NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8252 | 1lv3 | 5335 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 1H MET 1 13.559 -20.518 -1.724 2 HA MET 1 HA MET 1 12.789 -21.232 -4.057 3 1HB MET 1 2HB MET 1 10.387 -21.575 -3.066 4 2HB MET 1 1HB MET 1 10.260 -19.824 -3.196 5 1HG MET 1 2HG MET 1 10.364 -19.857 -5.533 6 2HG MET 1 1HG MET 1 11.227 -21.391 -5.563 7 1HE MET 1 1HE MET 1 8.215 -19.463 -4.796 8 2HE MET 1 2HE MET 1 7.549 -20.593 -3.618 9 3HE MET 1 3HE MET 1 6.822 -20.459 -5.217 10 H SER 2 H SER 2 13.711 -19.680 -5.265 11 HA SER 2 HA SER 2 13.937 -16.934 -4.156 12 1HB SER 2 2HB SER 2 15.433 -18.647 -5.996 13 2HB SER 2 1HB SER 2 15.208 -17.026 -6.646 14 HG SER 2 HG SER 2 16.270 -17.734 -4.096 15 H GLU 3 H GLU 3 11.367 -17.808 -4.916 16 HA GLU 3 HA GLU 3 10.489 -17.179 -7.521 17 1HB GLU 3 2HB GLU 3 9.339 -18.175 -5.267 18 2HB GLU 3 1HB GLU 3 8.663 -16.549 -5.270 19 1HG GLU 3 2HG GLU 3 8.624 -17.784 -7.932 20 2HG GLU 3 1HG GLU 3 7.704 -18.704 -6.743 21 H THR 4 H THR 4 10.451 -15.302 -8.544 22 HA THR 4 HA THR 4 10.441 -12.767 -6.986 23 HB THR 4 HB THR 4 11.011 -13.234 -9.936 24 HG1 THR 4 HG1 THR 4 12.732 -14.037 -8.940 25 1HG2 THR 4 1HG2 THR 4 11.792 -10.943 -9.958 26 2HG2 THR 4 2HG2 THR 4 11.529 -10.792 -8.220 27 3HG2 THR 4 3HG2 THR 4 10.153 -10.958 -9.310 28 H ILE 5 H ILE 5 8.288 -12.423 -6.524 29 HA ILE 5 HA ILE 5 6.208 -13.082 -8.461 30 HB ILE 5 HB ILE 5 4.706 -11.843 -6.803 31 1HG1 ILE 5 2HG1 ILE 5 6.992 -12.001 -4.862 32 2HG1 ILE 5 1HG1 ILE 5 6.869 -10.587 -5.908 33 1HG2 ILE 5 1HG2 ILE 5 5.269 -13.653 -4.960 34 2HG2 ILE 5 2HG2 ILE 5 6.365 -14.264 -6.201 35 3HG2 ILE 5 3HG2 ILE 5 4.635 -14.140 -6.527 36 1HD1 ILE 5 1HD1 ILE 5 4.471 -11.566 -4.367 37 2HD1 ILE 5 2HD1 ILE 5 4.778 -9.958 -5.023 38 3HD1 ILE 5 3HD1 ILE 5 5.661 -10.515 -3.601 39 H THR 6 H THR 6 4.910 -11.569 -9.617 40 HA THR 6 HA THR 6 6.194 -8.886 -9.927 41 HB THR 6 HB THR 6 5.333 -9.034 -12.320 42 HG1 THR 6 HG1 THR 6 3.949 -10.657 -12.406 43 1HG2 THR 6 1HG2 THR 6 7.146 -11.170 -12.531 44 2HG2 THR 6 2HG2 THR 6 7.607 -10.317 -11.057 45 3HG2 THR 6 3HG2 THR 6 7.529 -9.450 -12.591 46 H VAL 7 H VAL 7 4.904 -7.259 -9.321 47 HA VAL 7 HA VAL 7 2.004 -7.674 -9.002 48 HB VAL 7 HB VAL 7 3.331 -6.427 -7.285 49 1HG1 VAL 7 1HG1 VAL 7 3.557 -4.276 -9.410 50 2HG1 VAL 7 2HG1 VAL 7 4.885 -5.326 -8.918 51 3HG1 VAL 7 3HG1 VAL 7 4.173 -4.202 -7.762 52 1HG2 VAL 7 1HG2 VAL 7 0.983 -5.968 -7.330 53 2HG2 VAL 7 2HG2 VAL 7 1.138 -4.962 -8.770 54 3HG2 VAL 7 3HG2 VAL 7 1.781 -4.399 -7.228 55 H ASN 8 H ASN 8 0.483 -6.935 -10.445 56 HA ASN 8 HA ASN 8 1.486 -5.710 -12.940 57 1HB ASN 8 2HB ASN 8 -0.386 -7.647 -12.485 58 2HB ASN 8 1HB ASN 8 -1.410 -6.224 -12.676 59 1HD2 ASN 8 1HD2 ASN 8 0.954 -8.291 -14.337 60 2HD2 ASN 8 2HD2 ASN 8 0.662 -7.672 -15.890 61 H CYS 9 H CYS 9 1.088 -3.641 -13.549 62 HA CYS 9 HA CYS 9 0.203 -1.681 -11.641 63 1HB CYS 9 2HB CYS 9 1.790 -1.309 -13.604 64 2HB CYS 9 1HB CYS 9 0.373 -1.335 -14.650 65 HA PRO 10 HA PRO 10 -4.140 -2.421 -12.485 66 1HB PRO 10 2HB PRO 10 -5.052 -0.763 -10.488 67 2HB PRO 10 1HB PRO 10 -4.492 -2.421 -10.215 68 1HG PRO 10 2HG PRO 10 -3.113 0.152 -9.601 69 2HG PRO 10 1HG PRO 10 -2.948 -1.425 -8.812 70 1HD PRO 10 2HD PRO 10 -1.135 -0.322 -10.674 71 2HD PRO 10 1HD PRO 10 -1.192 -2.022 -10.160 72 H THR 11 H THR 11 -2.424 0.610 -12.663 73 HA THR 11 HA THR 11 -4.742 2.178 -13.499 74 HB THR 11 HB THR 11 -1.792 2.835 -13.669 75 HG1 THR 11 HG1 THR 11 -2.023 3.107 -11.616 76 1HG2 THR 11 1HG2 THR 11 -4.231 4.630 -13.840 77 2HG2 THR 11 2HG2 THR 11 -3.229 4.157 -15.211 78 3HG2 THR 11 3HG2 THR 11 -2.550 5.152 -13.925 79 H CYS 12 H CYS 12 -1.836 0.933 -15.194 80 HA CYS 12 HA CYS 12 -3.319 1.366 -17.755 81 1HB CYS 12 2HB CYS 12 -1.179 1.507 -18.860 82 2HB CYS 12 1HB CYS 12 -1.126 2.561 -17.449 83 H GLY 13 H GLY 13 -1.747 -1.069 -15.764 84 1HA GLY 13 2HA GLY 13 -2.221 -3.422 -15.947 85 2HA GLY 13 1HA GLY 13 -2.764 -3.162 -17.605 86 H LYS 14 H LYS 14 0.159 -3.068 -15.577 87 HA LYS 14 HA LYS 14 1.706 -4.183 -17.861 88 1HB LYS 14 2HB LYS 14 1.892 -1.587 -17.532 89 2HB LYS 14 1HB LYS 14 2.893 -2.014 -16.145 90 1HG LYS 14 2HG LYS 14 3.598 -3.565 -18.513 91 2HG LYS 14 1HG LYS 14 3.758 -1.830 -18.787 92 1HD LYS 14 2HD LYS 14 4.936 -1.855 -16.427 93 2HD LYS 14 1HD LYS 14 5.177 -3.566 -16.783 94 1HE LYS 14 2HE LYS 14 6.102 -2.788 -19.058 95 2HE LYS 14 1HE LYS 14 6.177 -1.176 -18.342 96 1HZ LYS 14 1HZ LYS 14 7.714 -1.862 -16.763 97 2HZ LYS 14 2HZ LYS 14 8.225 -2.669 -18.166 98 3HZ LYS 14 3HZ LYS 14 7.362 -3.508 -16.970 99 H THR 15 H THR 15 2.923 -5.886 -17.187 100 HA THR 15 HA THR 15 2.910 -6.717 -14.418 101 HB THR 15 HB THR 15 4.648 -7.753 -16.681 102 HG1 THR 15 HG1 THR 15 2.905 -8.612 -17.429 103 1HG2 THR 15 1HG2 THR 15 5.441 -9.188 -15.149 104 2HG2 THR 15 2HG2 THR 15 3.803 -9.759 -14.837 105 3HG2 THR 15 3HG2 THR 15 4.462 -8.415 -13.904 106 H VAL 16 H VAL 16 4.157 -5.804 -12.879 107 HA VAL 16 HA VAL 16 6.887 -4.846 -13.646 108 HB VAL 16 HB VAL 16 5.212 -3.855 -11.322 109 1HG1 VAL 16 1HG1 VAL 16 7.392 -3.268 -10.812 110 2HG1 VAL 16 2HG1 VAL 16 6.949 -1.895 -11.827 111 3HG1 VAL 16 3HG1 VAL 16 7.887 -3.226 -12.503 112 1HG2 VAL 16 1HG2 VAL 16 5.712 -2.161 -13.726 113 2HG2 VAL 16 2HG2 VAL 16 4.318 -2.191 -12.647 114 3HG2 VAL 16 3HG2 VAL 16 4.499 -3.428 -13.889 115 H VAL 17 H VAL 17 8.490 -6.017 -12.757 116 HA VAL 17 HA VAL 17 8.149 -8.252 -11.093 117 HB VAL 17 HB VAL 17 10.193 -7.618 -12.462 118 1HG1 VAL 17 1HG1 VAL 17 11.047 -6.121 -9.981 119 2HG1 VAL 17 2HG1 VAL 17 10.305 -5.302 -11.356 120 3HG1 VAL 17 3HG1 VAL 17 11.832 -6.161 -11.560 121 1HG2 VAL 17 1HG2 VAL 17 11.796 -8.555 -10.666 122 2HG2 VAL 17 2HG2 VAL 17 10.408 -9.546 -11.111 123 3HG2 VAL 17 3HG2 VAL 17 10.380 -8.610 -9.618 124 H TRP 18 H TRP 18 8.037 -8.576 -8.902 125 HA TRP 18 HA TRP 18 8.045 -6.146 -7.156 126 1HB TRP 18 2HB TRP 18 5.856 -7.320 -7.327 127 2HB TRP 18 1HB TRP 18 6.620 -8.793 -6.730 128 HD1 TRP 18 HD1 TRP 18 6.872 -9.060 -4.184 129 HE1 TRP 18 HE1 TRP 18 6.390 -7.557 -2.146 130 HE3 TRP 18 HE3 TRP 18 5.836 -4.661 -6.558 131 HZ2 TRP 18 HZ2 TRP 18 5.664 -4.850 -1.596 132 HZ3 TRP 18 HZ3 TRP 18 5.255 -2.639 -5.253 133 HH2 TRP 18 HH2 TRP 18 5.166 -2.726 -2.777 134 H GLY 19 H GLY 19 8.912 -6.412 -4.992 135 1HA GLY 19 2HA GLY 19 10.073 -7.917 -3.363 136 2HA GLY 19 1HA GLY 19 10.894 -8.641 -4.748 137 H GLU 20 H GLU 20 12.725 -7.660 -5.550 138 HA GLU 20 HA GLU 20 13.375 -4.883 -4.919 139 1HB GLU 20 2HB GLU 20 14.094 -6.743 -3.003 140 2HB GLU 20 1HB GLU 20 15.559 -6.610 -3.975 141 1HG GLU 20 2HG GLU 20 14.075 -4.148 -3.063 142 2HG GLU 20 1HG GLU 20 15.252 -4.938 -2.013 143 H ILE 21 H ILE 21 13.040 -5.710 -7.373 144 HA ILE 21 HA ILE 21 15.771 -6.248 -8.463 145 HB ILE 21 HB ILE 21 13.058 -7.045 -9.561 146 1HG1 ILE 21 2HG1 ILE 21 14.662 -9.286 -9.417 147 2HG1 ILE 21 1HG1 ILE 21 15.150 -8.384 -7.982 148 1HG2 ILE 21 1HG2 ILE 21 14.557 -8.249 -11.279 149 2HG2 ILE 21 2HG2 ILE 21 15.826 -7.140 -10.760 150 3HG2 ILE 21 3HG2 ILE 21 14.342 -6.511 -11.474 151 1HD1 ILE 21 1HD1 ILE 21 13.285 -9.794 -7.365 152 2HD1 ILE 21 2HD1 ILE 21 12.342 -9.222 -8.739 153 3HD1 ILE 21 3HD1 ILE 21 12.709 -8.129 -7.408 154 H SER 22 H SER 22 12.635 -4.743 -9.276 155 HA SER 22 HA SER 22 14.010 -2.857 -11.103 156 1HB SER 22 2HB SER 22 11.208 -3.758 -10.673 157 2HB SER 22 1HB SER 22 11.423 -2.099 -11.219 158 HG SER 22 HG SER 22 11.286 -3.640 -12.941 159 HA PRO 23 HA PRO 23 13.807 0.558 -8.334 160 1HB PRO 23 2HB PRO 23 13.217 2.615 -10.062 161 2HB PRO 23 1HB PRO 23 14.805 1.834 -9.982 162 1HG PRO 23 2HG PRO 23 12.674 1.546 -12.049 163 2HG PRO 23 1HG PRO 23 14.426 1.339 -12.209 164 1HD PRO 23 2HD PRO 23 12.527 -0.746 -11.992 165 2HD PRO 23 1HD PRO 23 14.286 -0.914 -11.809 166 H PHE 24 H PHE 24 11.059 0.158 -10.539 167 HA PHE 24 HA PHE 24 9.272 1.455 -8.524 168 1HB PHE 24 2HB PHE 24 9.554 1.925 -11.296 169 2HB PHE 24 1HB PHE 24 8.036 1.048 -11.115 170 HD1 PHE 24 HD1 PHE 24 9.935 4.030 -9.993 171 HD2 PHE 24 HD2 PHE 24 6.132 2.050 -10.070 172 HE1 PHE 24 HE1 PHE 24 8.847 6.086 -9.132 173 HE2 PHE 24 HE2 PHE 24 5.042 4.101 -9.208 174 HZ PHE 24 HZ PHE 24 6.399 6.119 -8.737 175 H ARG 25 H ARG 25 9.605 -0.879 -7.575 176 HA ARG 25 HA ARG 25 8.526 -3.198 -8.749 177 1HB ARG 25 2HB ARG 25 8.958 -2.272 -5.957 178 2HB ARG 25 1HB ARG 25 7.793 -3.578 -6.163 179 1HG ARG 25 2HG ARG 25 9.750 -4.806 -5.978 180 2HG ARG 25 1HG ARG 25 9.694 -4.576 -7.724 181 1HD ARG 25 2HD ARG 25 11.877 -3.919 -7.237 182 2HD ARG 25 1HD ARG 25 11.023 -2.378 -7.211 183 HE ARG 25 HE ARG 25 11.621 -3.896 -4.702 184 1HH1 ARG 25 2HH1 ARG 25 13.422 -1.693 -6.058 185 2HH1 ARG 25 1HH1 ARG 25 13.050 -0.349 -5.030 186 1HH2 ARG 25 1HH2 ARG 25 10.281 -1.872 -3.588 187 2HH2 ARG 25 2HH2 ARG 25 11.270 -0.452 -3.631 188 HA PRO 26 HA PRO 26 4.167 -1.957 -7.219 189 1HB PRO 26 2HB PRO 26 3.870 0.499 -6.014 190 2HB PRO 26 1HB PRO 26 4.224 -0.990 -5.122 191 1HG PRO 26 2HG PRO 26 6.043 1.281 -5.777 192 2HG PRO 26 1HG PRO 26 6.120 0.135 -4.429 193 1HD PRO 26 2HD PRO 26 7.706 0.043 -6.767 194 2HD PRO 26 1HD PRO 26 7.521 -1.262 -5.577 195 H PHE 27 H PHE 27 3.133 -1.489 -9.136 196 HA PHE 27 HA PHE 27 2.334 -0.301 -10.995 197 1HB PHE 27 2HB PHE 27 3.501 2.059 -9.487 198 2HB PHE 27 1HB PHE 27 2.625 2.206 -11.008 199 HD1 PHE 27 HD1 PHE 27 2.343 1.125 -7.467 200 HD2 PHE 27 HD2 PHE 27 0.253 2.028 -11.105 201 HE1 PHE 27 HE1 PHE 27 0.190 1.086 -6.239 202 HE2 PHE 27 HE2 PHE 27 -1.899 1.986 -9.881 203 HZ PHE 27 HZ PHE 27 -1.932 1.516 -7.446 204 H CYS 28 H CYS 28 3.160 0.703 -13.002 205 HA CYS 28 HA CYS 28 6.001 0.002 -13.424 206 1HB CYS 28 2HB CYS 28 5.493 0.208 -15.803 207 2HB CYS 28 1HB CYS 28 4.256 -0.774 -15.022 208 H SER 29 H SER 29 3.896 2.860 -13.484 209 HA SER 29 HA SER 29 6.350 4.559 -13.606 210 1HB SER 29 2HB SER 29 4.506 4.356 -15.686 211 2HB SER 29 1HB SER 29 3.996 5.803 -14.823 212 HG SER 29 HG SER 29 5.542 6.559 -16.115 213 H LYS 30 H LYS 30 5.876 6.812 -12.763 214 HA LYS 30 HA LYS 30 4.455 6.639 -10.241 215 1HB LYS 30 2HB LYS 30 6.371 8.392 -11.421 216 2HB LYS 30 1HB LYS 30 4.987 9.368 -10.930 217 1HG LYS 30 2HG LYS 30 5.196 7.805 -8.742 218 2HG LYS 30 1HG LYS 30 6.883 7.790 -9.257 219 1HD LYS 30 2HD LYS 30 7.027 10.182 -9.159 220 2HD LYS 30 1HD LYS 30 5.282 10.342 -8.954 221 1HE LYS 30 2HE LYS 30 5.337 9.587 -6.737 222 2HE LYS 30 1HE LYS 30 6.869 8.739 -6.961 223 1HZ LYS 30 1HZ LYS 30 6.424 11.663 -6.748 224 2HZ LYS 30 2HZ LYS 30 7.893 10.995 -7.282 225 3HZ LYS 30 3HZ LYS 30 7.328 10.672 -5.713 226 H ARG 31 H ARG 31 3.727 8.120 -13.408 227 HA ARG 31 HA ARG 31 1.414 9.598 -12.631 228 1HB ARG 31 2HB ARG 31 2.589 8.645 -15.137 229 2HB ARG 31 1HB ARG 31 0.828 8.618 -15.179 230 1HG ARG 31 2HG ARG 31 2.219 11.048 -14.093 231 2HG ARG 31 1HG ARG 31 2.126 10.819 -15.838 232 1HD ARG 31 2HD ARG 31 0.114 11.869 -15.615 233 2HD ARG 31 1HD ARG 31 -0.447 10.267 -15.137 234 HE ARG 31 HE ARG 31 0.331 11.247 -12.739 235 1HH1 ARG 31 1HH2 ARG 31 0.117 13.976 -14.206 236 2HH1 ARG 31 2HH2 ARG 31 -1.460 14.479 -13.697 237 1HH2 ARG 31 2HH1 ARG 31 -2.376 11.328 -12.550 238 2HH2 ARG 31 1HH1 ARG 31 -2.877 12.972 -12.754 239 H CYS 32 H CYS 32 1.877 6.167 -13.374 240 HA CYS 32 HA CYS 32 -0.912 5.451 -13.419 241 1HB CYS 32 2HB CYS 32 1.640 3.901 -12.955 242 2HB CYS 32 1HB CYS 32 0.061 3.129 -12.810 243 H GLN 33 H GLN 33 1.577 5.056 -10.861 244 HA GLN 33 HA GLN 33 -0.195 4.259 -8.781 245 1HB GLN 33 2HB GLN 33 2.360 4.216 -8.754 246 2HB GLN 33 1HB GLN 33 2.296 5.941 -8.390 247 1HG GLN 33 2HG GLN 33 1.180 5.572 -6.322 248 2HG GLN 33 1HG GLN 33 0.784 3.905 -6.744 249 1HE2 GLN 33 1HE2 GLN 33 3.553 6.047 -5.946 250 2HE2 GLN 33 2HE2 GLN 33 4.563 4.795 -5.404 251 H LEU 34 H LEU 34 0.675 7.449 -10.032 252 HA LEU 34 HA LEU 34 -0.478 9.044 -7.954 253 1HB LEU 34 2HB LEU 34 0.941 9.604 -10.214 254 2HB LEU 34 1HB LEU 34 -0.677 10.048 -10.748 255 HG LEU 34 HG LEU 34 -0.921 11.519 -8.766 256 1HD1 LEU 34 1HD1 LEU 34 0.814 10.076 -7.448 257 2HD1 LEU 34 2HD1 LEU 34 0.806 11.817 -7.181 258 3HD1 LEU 34 3HD1 LEU 34 2.021 11.091 -8.230 259 1HD2 LEU 34 1HD2 LEU 34 -0.176 12.768 -10.578 260 2HD2 LEU 34 2HD2 LEU 34 1.333 11.866 -10.715 261 3HD2 LEU 34 3HD2 LEU 34 1.131 13.056 -9.430 262 H ILE 35 H ILE 35 -1.844 8.430 -11.214 263 HA ILE 35 HA ILE 35 -4.462 9.292 -10.732 264 HB ILE 35 HB ILE 35 -3.612 6.936 -12.449 265 1HG1 ILE 35 2HG1 ILE 35 -4.178 9.721 -13.438 266 2HG1 ILE 35 1HG1 ILE 35 -2.588 9.341 -12.778 267 1HG2 ILE 35 1HG2 ILE 35 -6.165 8.467 -12.117 268 2HG2 ILE 35 2HG2 ILE 35 -5.923 6.748 -12.426 269 3HG2 ILE 35 3HG2 ILE 35 -5.722 7.915 -13.732 270 1HD1 ILE 35 1HD1 ILE 35 -3.966 7.919 -15.076 271 2HD1 ILE 35 2HD1 ILE 35 -2.427 7.424 -14.371 272 3HD1 ILE 35 3HD1 ILE 35 -2.560 8.978 -15.193 273 H ASP 36 H ASP 36 -2.940 6.290 -9.670 274 HA ASP 36 HA ASP 36 -5.263 4.778 -9.076 275 1HB ASP 36 2HB ASP 36 -2.573 4.350 -8.811 276 2HB ASP 36 1HB ASP 36 -3.075 4.506 -7.126 277 H LEU 37 H LEU 37 -3.598 7.260 -7.134 278 HA LEU 37 HA LEU 37 -5.178 6.908 -4.760 279 1HB LEU 37 2HB LEU 37 -3.373 8.999 -5.850 280 2HB LEU 37 1HB LEU 37 -4.545 9.546 -4.654 281 HG LEU 37 HG LEU 37 -3.190 7.018 -3.963 282 1HD1 LEU 37 1HD1 LEU 37 -1.279 8.085 -4.988 283 2HD1 LEU 37 2HD1 LEU 37 -1.108 8.256 -3.242 284 3HD1 LEU 37 3HD1 LEU 37 -1.658 9.622 -4.212 285 1HD2 LEU 37 1HD2 LEU 37 -3.374 7.872 -1.792 286 2HD2 LEU 37 2HD2 LEU 37 -4.741 8.651 -2.589 287 3HD2 LEU 37 3HD2 LEU 37 -3.243 9.545 -2.331 288 H GLY 38 H GLY 38 -5.443 9.450 -7.289 289 1HA GLY 38 2HA GLY 38 -7.640 9.834 -8.372 290 2HA GLY 38 1HA GLY 38 -8.403 9.420 -6.841 291 H GLU 39 H GLU 39 -5.554 11.464 -6.833 292 HA GLU 39 HA GLU 39 -7.302 13.846 -6.335 293 1HB GLU 39 2HB GLU 39 -4.848 12.906 -4.826 294 2HB GLU 39 1HB GLU 39 -5.462 14.555 -4.704 295 1HG GLU 39 2HG GLU 39 -6.774 13.753 -3.039 296 2HG GLU 39 1HG GLU 39 -7.748 13.054 -4.333 297 H TRP 40 H TRP 40 -6.170 13.163 -8.856 298 HA TRP 40 HA TRP 40 -4.256 15.425 -9.209 299 1HB TRP 40 2HB TRP 40 -3.886 12.918 -10.816 300 2HB TRP 40 1HB TRP 40 -2.709 14.169 -10.411 301 HD1 TRP 40 HD1 TRP 40 -4.037 10.886 -9.273 302 HE1 TRP 40 HE1 TRP 40 -2.956 10.214 -7.041 303 HE3 TRP 40 HE3 TRP 40 -1.723 15.272 -8.035 304 HZ2 TRP 40 HZ2 TRP 40 -1.340 11.355 -5.004 305 HZ3 TRP 40 HZ3 TRP 40 -0.416 15.445 -5.935 306 HH2 TRP 40 HH2 TRP 40 -0.220 13.493 -4.418 307 H ALA 41 H ALA 41 -3.980 15.642 -11.815 308 HA ALA 41 HA ALA 41 -6.762 15.846 -12.861 309 1HB ALA 41 1HB ALA 41 -5.437 17.925 -12.822 310 2HB ALA 41 2HB ALA 41 -5.797 17.449 -14.481 311 3HB ALA 41 3HB ALA 41 -4.193 17.157 -13.809 312 H ALA 42 H ALA 42 -6.895 13.571 -13.467 313 HA ALA 42 HA ALA 42 -5.907 13.066 -16.165 314 1HB ALA 42 1HB ALA 42 -5.034 10.739 -14.796 315 2HB ALA 42 2HB ALA 42 -4.371 12.114 -13.914 316 3HB ALA 42 3HB ALA 42 -4.036 11.925 -15.635 317 H GLU 43 H GLU 43 -8.464 13.233 -15.658 318 HA GLU 43 HA GLU 43 -10.529 12.130 -15.664 319 1HB GLU 43 2HB GLU 43 -8.991 10.878 -17.479 320 2HB GLU 43 1HB GLU 43 -9.230 9.533 -16.366 321 1HG GLU 43 2HG GLU 43 -11.609 11.167 -17.177 322 2HG GLU 43 1HG GLU 43 -10.968 9.982 -18.313 323 H GLU 44 H GLU 44 -10.502 12.329 -13.255 324 HA GLU 44 HA GLU 44 -11.037 9.775 -12.005 325 1HB GLU 44 2HB GLU 44 -9.259 9.843 -10.292 326 2HB GLU 44 1HB GLU 44 -8.586 9.685 -11.914 327 1HG GLU 44 2HG GLU 44 -8.498 12.315 -11.832 328 2HG GLU 44 1HG GLU 44 -8.572 12.071 -10.086 329 H LYS 45 H LYS 45 -10.361 13.234 -11.480 330 HA LYS 45 HA LYS 45 -12.672 13.283 -9.604 331 1HB LYS 45 2HB LYS 45 -9.865 13.822 -8.955 332 2HB LYS 45 1HB LYS 45 -10.936 15.154 -8.512 333 1HG LYS 45 2HG LYS 45 -12.425 13.055 -7.654 334 2HG LYS 45 1HG LYS 45 -10.811 12.381 -7.447 335 1HD LYS 45 2HD LYS 45 -11.472 13.495 -5.386 336 2HD LYS 45 1HD LYS 45 -10.176 14.427 -6.144 337 1HE LYS 45 2HE LYS 45 -12.221 15.661 -7.308 338 2HE LYS 45 1HE LYS 45 -13.093 15.076 -5.893 339 1HZ LYS 45 1HZ LYS 45 -10.622 16.128 -5.061 340 2HZ LYS 45 2HZ LYS 45 -12.188 16.684 -4.700 341 3HZ LYS 45 3HZ LYS 45 -11.372 17.266 -6.071 342 H ARG 46 H ARG 46 -14.103 14.717 -10.431 343 HA ARG 46 HA ARG 46 -13.115 16.873 -12.209 344 1HB ARG 46 2HB ARG 46 -15.569 15.312 -11.988 345 2HB ARG 46 1HB ARG 46 -15.894 17.041 -12.111 346 1HG ARG 46 2HG ARG 46 -15.419 16.993 -14.304 347 2HG ARG 46 1HG ARG 46 -13.797 16.403 -13.950 348 1HD ARG 46 2HD ARG 46 -16.241 14.618 -14.115 349 2HD ARG 46 1HD ARG 46 -15.118 14.880 -15.449 350 HE ARG 46 HE ARG 46 -14.024 13.865 -12.877 351 1HH1 ARG 46 1HH2 ARG 46 -12.361 13.848 -15.328 352 2HH1 ARG 46 2HH2 ARG 46 -12.544 12.225 -15.905 353 1HH2 ARG 46 2HH1 ARG 46 -15.380 11.586 -13.996 354 2HH2 ARG 46 1HH1 ARG 46 -14.254 10.942 -15.145 355 H ILE 47 H ILE 47 -12.981 18.942 -11.533 356 HA ILE 47 HA ILE 47 -14.362 19.704 -8.989 357 HB ILE 47 HB ILE 47 -11.720 20.699 -10.108 358 1HG1 ILE 47 2HG1 ILE 47 -11.884 19.442 -7.426 359 2HG1 ILE 47 1HG1 ILE 47 -12.186 18.348 -8.779 360 1HG2 ILE 47 1HG2 ILE 47 -11.557 21.967 -8.001 361 2HG2 ILE 47 2HG2 ILE 47 -13.156 21.397 -7.525 362 3HG2 ILE 47 3HG2 ILE 47 -12.977 22.463 -8.917 363 1HD1 ILE 47 1HD1 ILE 47 -9.678 19.270 -7.845 364 2HD1 ILE 47 2HD1 ILE 47 -9.942 20.047 -9.403 365 3HD1 ILE 47 3HD1 ILE 47 -9.989 18.289 -9.275 366 HA PRO 48 HA PRO 48 -16.248 22.447 -12.093 367 1HB PRO 48 2HB PRO 48 -18.571 22.768 -10.643 368 2HB PRO 48 1HB PRO 48 -18.282 21.429 -11.767 369 1HG PRO 48 2HG PRO 48 -18.257 21.417 -8.784 370 2HG PRO 48 1HG PRO 48 -18.605 20.096 -9.912 371 1HD PRO 48 2HD PRO 48 -16.178 20.459 -8.518 372 2HD PRO 48 1HD PRO 48 -16.428 19.388 -9.913 373 H SER 49 H SER 49 -17.259 24.682 -11.811 374 HA SER 49 HA SER 49 -15.573 26.399 -10.254 375 1HB SER 49 2HB SER 49 -17.885 26.699 -12.058 376 2HB SER 49 1HB SER 49 -17.783 27.939 -10.816 377 HG SER 49 HG SER 49 -16.431 28.754 -12.225 378 H SER 50 H SER 50 -18.774 24.987 -9.616 379 HA SER 50 HA SER 50 -19.538 26.617 -7.409 380 1HB SER 50 2HB SER 50 -20.279 23.974 -8.470 381 2HB SER 50 1HB SER 50 -20.445 24.089 -6.721 382 HG SER 50 HG SER 50 -22.217 24.849 -8.287 383 H GLY 51 H GLY 51 -17.485 23.724 -7.587 384 1HA GLY 51 2HA GLY 51 -15.610 24.318 -5.680 385 2HA GLY 51 1HA GLY 51 -16.950 23.700 -4.711 386 H ASP 52 H ASP 52 -17.218 21.502 -4.566 387 HA ASP 52 HA ASP 52 -15.709 19.797 -6.498 388 1HB ASP 52 2HB ASP 52 -14.976 20.108 -3.858 389 2HB ASP 52 1HB ASP 52 -15.974 18.653 -3.800 390 H LEU 53 H LEU 53 -17.019 18.368 -7.518 391 HA LEU 53 HA LEU 53 -19.546 17.545 -6.138 392 1HB LEU 53 2HB LEU 53 -19.193 18.954 -8.627 393 2HB LEU 53 1HB LEU 53 -19.952 17.394 -8.936 394 HG LEU 53 HG LEU 53 -21.084 18.653 -6.576 395 1HD1 LEU 53 1HD1 LEU 53 -20.700 20.795 -7.480 396 2HD1 LEU 53 2HD1 LEU 53 -22.317 20.407 -8.065 397 3HD1 LEU 53 3HD1 LEU 53 -20.925 20.242 -9.137 398 1HD2 LEU 53 1HD2 LEU 53 -21.973 17.447 -9.171 399 2HD2 LEU 53 2HD2 LEU 53 -23.132 18.424 -8.267 400 3HD2 LEU 53 3HD2 LEU 53 -22.408 16.999 -7.524 401 H SER 54 H SER 54 -20.081 15.386 -6.245 402 HA SER 54 HA SER 54 -19.740 13.090 -6.506 403 1HB SER 54 2HB SER 54 -19.752 14.316 -9.095 404 2HB SER 54 1HB SER 54 -18.589 12.996 -9.111 405 HG SER 54 HG SER 54 -20.711 12.291 -9.585 406 H GLU 55 H GLU 55 -17.992 13.134 -4.917 407 HA GLU 55 HA GLU 55 -15.217 13.244 -5.891 408 1HB GLU 55 2HB GLU 55 -16.533 12.890 -3.208 409 2HB GLU 55 1HB GLU 55 -14.853 12.393 -3.410 410 1HG GLU 55 2HG GLU 55 -14.548 14.607 -2.792 411 2HG GLU 55 1HG GLU 55 -14.624 14.782 -4.543 412 H SER 56 H SER 56 -14.075 11.474 -6.554 413 HA SER 56 HA SER 56 -13.507 9.251 -6.980 414 1HB SER 56 2HB SER 56 -14.827 9.157 -4.370 415 2HB SER 56 1HB SER 56 -15.063 7.671 -5.282 416 HG SER 56 HG SER 56 -13.134 7.608 -4.091 417 H ASP 57 H ASP 57 -14.912 9.943 -8.934 418 HA ASP 57 HA ASP 57 -17.066 7.906 -9.266 419 1HB ASP 57 2HB ASP 57 -17.250 10.867 -9.866 420 2HB ASP 57 1HB ASP 57 -18.262 9.695 -10.705 421 H ASP 58 H ASP 58 -16.260 6.601 -10.829 422 HA ASP 58 HA ASP 58 -15.379 5.894 -12.873 423 1HB ASP 58 2HB ASP 58 -16.916 7.900 -13.647 424 2HB ASP 58 1HB ASP 58 -15.374 8.704 -13.937 425 H TRP 59 H TRP 59 -13.334 5.356 -12.107 426 HA TRP 59 HA TRP 59 -11.242 7.480 -12.068 427 1HB TRP 59 2HB TRP 59 -11.006 4.594 -11.170 428 2HB TRP 59 1HB TRP 59 -9.879 5.905 -10.830 429 HD1 TRP 59 HD1 TRP 59 -10.864 7.938 -9.248 430 HE1 TRP 59 HE1 TRP 59 -12.534 7.802 -7.291 431 HE3 TRP 59 HE3 TRP 59 -12.988 3.388 -10.193 432 HZ2 TRP 59 HZ2 TRP 59 -14.521 6.015 -6.271 433 HZ3 TRP 59 HZ3 TRP 59 -14.769 2.500 -8.723 434 HH2 TRP 59 HH2 TRP 59 -15.535 3.806 -6.761 435 H SER 60 H SER 60 -9.058 6.764 -12.968 436 HA SER 60 HA SER 60 -9.355 5.948 -15.721 437 1HB SER 60 2HB SER 60 -7.259 6.999 -14.065 438 2HB SER 60 1HB SER 60 -6.650 5.574 -14.898 439 HG SER 60 HG SER 60 -6.554 7.699 -16.020 440 H GLU 61 H GLU 61 -8.287 4.289 -12.756 441 HA GLU 61 HA GLU 61 -7.528 1.812 -14.033 442 1HB GLU 61 2HB GLU 61 -8.445 2.403 -11.198 443 2HB GLU 61 1HB GLU 61 -7.825 0.841 -11.724 444 1HG GLU 61 2HG GLU 61 -5.784 1.639 -11.176 445 2HG GLU 61 1HG GLU 61 -5.911 2.603 -12.643 446 H GLU 62 H GLU 62 -10.396 2.663 -12.099 447 HA GLU 62 HA GLU 62 -11.976 0.650 -13.643 448 1HB GLU 62 2HB GLU 62 -11.320 0.648 -10.922 449 2HB GLU 62 1HB GLU 62 -12.978 1.241 -10.974 450 1HG GLU 62 2HG GLU 62 -12.551 -1.014 -12.782 451 2HG GLU 62 1HG GLU 62 -12.203 -1.421 -11.101 452 HA PRO 63 HA PRO 63 -14.204 4.514 -14.336 453 1HB PRO 63 2HB PRO 63 -15.520 3.577 -16.575 454 2HB PRO 63 1HB PRO 63 -13.894 4.281 -16.601 455 1HG PRO 63 2HG PRO 63 -14.708 1.431 -16.865 456 2HG PRO 63 1HG PRO 63 -13.237 2.235 -17.436 457 1HD PRO 63 2HD PRO 63 -13.453 0.589 -15.132 458 2HD PRO 63 1HD PRO 63 -12.075 1.625 -15.558 459 H LYS 64 H LYS 64 -15.782 1.287 -14.734 460 HA LYS 64 HA LYS 64 -17.838 2.062 -12.768 461 1HB LYS 64 2HB LYS 64 -18.323 2.420 -15.546 462 2HB LYS 64 1HB LYS 64 -19.265 1.017 -15.041 463 1HG LYS 64 2HG LYS 64 -20.765 2.664 -14.455 464 2HG LYS 64 1HG LYS 64 -19.816 2.637 -12.969 465 1HD LYS 64 2HD LYS 64 -18.479 4.515 -13.707 466 2HD LYS 64 1HD LYS 64 -19.210 4.471 -15.309 467 1HE LYS 64 2HE LYS 64 -21.378 5.096 -14.378 468 2HE LYS 64 1HE LYS 64 -20.732 5.014 -12.740 469 1HZ LYS 64 1HZ LYS 64 -19.140 6.775 -13.373 470 2HZ LYS 64 2HZ LYS 64 -20.759 7.284 -13.454 471 3HZ LYS 64 3HZ LYS 64 -19.913 6.907 -14.877 472 H GLN 65 HN GLN 65 -18.493 0.271 -11.624 473 HA GLN 65 HA GLN 65 -17.967 -2.431 -12.811 474 1HB GLN 65 2HB GLN 65 -16.567 -1.391 -10.685 475 2HB GLN 65 1HB GLN 65 -17.858 -2.261 -9.865 476 1HG GLN 65 2HG GLN 65 -17.249 -4.331 -10.840 477 2HG GLN 65 1HG GLN 65 -16.293 -3.554 -12.098 478 1HE2 GLN 65 1HE2 GLN 65 -14.292 -4.588 -11.595 479 2HE2 GLN 65 2HE2 GLN 65 -13.457 -4.325 -10.140 Start of MODEL 2 1 H MET 1 1H MET 1 7.650 -14.681 -13.053 2 HA MET 1 HA MET 1 4.866 -15.499 -12.435 3 1HB MET 1 2HB MET 1 6.325 -15.250 -14.865 4 2HB MET 1 1HB MET 1 6.162 -16.975 -14.535 5 1HG MET 1 2HG MET 1 4.142 -16.616 -15.590 6 2HG MET 1 1HG MET 1 3.662 -16.242 -13.935 7 1HE MET 1 1HE MET 1 2.494 -15.311 -16.922 8 2HE MET 1 2HE MET 1 1.846 -13.746 -16.442 9 3HE MET 1 3HE MET 1 1.642 -15.140 -15.382 10 H SER 2 H SER 2 7.914 -17.166 -13.388 11 HA SER 2 HA SER 2 7.338 -19.208 -11.312 12 1HB SER 2 2HB SER 2 8.586 -19.262 -13.893 13 2HB SER 2 1HB SER 2 9.771 -19.782 -12.697 14 HG SER 2 HG SER 2 8.466 -21.517 -13.436 15 H GLU 3 H GLU 3 10.059 -17.117 -12.335 16 HA GLU 3 HA GLU 3 11.262 -17.454 -9.627 17 1HB GLU 3 2HB GLU 3 12.365 -17.324 -12.256 18 2HB GLU 3 1HB GLU 3 12.894 -15.880 -11.394 19 1HG GLU 3 2HG GLU 3 14.528 -17.518 -10.877 20 2HG GLU 3 1HG GLU 3 13.486 -17.464 -9.454 21 H THR 4 H THR 4 10.832 -15.858 -8.199 22 HA THR 4 HA THR 4 10.422 -13.748 -7.287 23 HB THR 4 HB THR 4 11.301 -12.796 -10.026 24 HG1 THR 4 HG1 THR 4 13.152 -13.361 -9.244 25 1HG2 THR 4 1HG2 THR 4 11.691 -10.629 -8.837 26 2HG2 THR 4 2HG2 THR 4 10.863 -11.298 -7.431 27 3HG2 THR 4 3HG2 THR 4 9.986 -11.065 -8.944 28 H ILE 5 H ILE 5 8.441 -12.834 -6.927 29 HA ILE 5 HA ILE 5 6.284 -13.349 -8.838 30 HB ILE 5 HB ILE 5 4.835 -12.229 -7.135 31 1HG1 ILE 5 2HG1 ILE 5 6.991 -12.182 -5.114 32 2HG1 ILE 5 1HG1 ILE 5 7.137 -10.938 -6.355 33 1HG2 ILE 5 1HG2 ILE 5 6.697 -14.477 -6.418 34 2HG2 ILE 5 2HG2 ILE 5 4.973 -14.532 -6.787 35 3HG2 ILE 5 3HG2 ILE 5 5.522 -13.903 -5.234 36 1HD1 ILE 5 1HD1 ILE 5 4.417 -10.945 -5.695 37 2HD1 ILE 5 2HD1 ILE 5 5.610 -9.750 -5.194 38 3HD1 ILE 5 3HD1 ILE 5 5.247 -11.122 -4.150 39 H THR 6 H THR 6 5.005 -11.742 -9.892 40 HA THR 6 HA THR 6 6.314 -9.056 -10.099 41 HB THR 6 HB THR 6 5.480 -9.041 -12.481 42 HG1 THR 6 HG1 THR 6 4.030 -10.556 -12.755 43 1HG2 THR 6 1HG2 THR 6 7.810 -9.916 -11.551 44 2HG2 THR 6 2HG2 THR 6 7.402 -10.056 -13.260 45 3HG2 THR 6 3HG2 THR 6 7.225 -11.450 -12.194 46 H VAL 7 H VAL 7 5.001 -7.368 -9.632 47 HA VAL 7 HA VAL 7 2.119 -7.879 -9.169 48 HB VAL 7 HB VAL 7 2.137 -5.562 -8.204 49 1HG1 VAL 7 1HG1 VAL 7 3.155 -6.214 -6.185 50 2HG1 VAL 7 2HG1 VAL 7 4.403 -7.148 -7.009 51 3HG1 VAL 7 3HG1 VAL 7 2.747 -7.750 -6.951 52 1HG2 VAL 7 1HG2 VAL 7 5.130 -5.586 -8.285 53 2HG2 VAL 7 2HG2 VAL 7 4.023 -4.218 -8.189 54 3HG2 VAL 7 3HG2 VAL 7 4.271 -5.042 -9.726 55 H ASN 8 H ASN 8 0.493 -6.984 -10.427 56 HA ASN 8 HA ASN 8 1.348 -5.741 -12.980 57 1HB ASN 8 2HB ASN 8 -0.490 -7.673 -12.499 58 2HB ASN 8 1HB ASN 8 -1.531 -6.250 -12.462 59 1HD2 ASN 8 1HD2 ASN 8 0.834 -7.982 -14.527 60 2HD2 ASN 8 2HD2 ASN 8 0.279 -7.317 -15.986 61 H CYS 9 H CYS 9 0.885 -3.643 -13.531 62 HA CYS 9 HA CYS 9 0.185 -1.747 -11.477 63 1HB CYS 9 2HB CYS 9 1.606 -1.326 -13.568 64 2HB CYS 9 1HB CYS 9 0.088 -1.242 -14.461 65 HA PRO 10 HA PRO 10 -4.214 -2.370 -11.938 66 1HB PRO 10 2HB PRO 10 -4.903 -0.726 -9.846 67 2HB PRO 10 1HB PRO 10 -4.340 -2.394 -9.647 68 1HG PRO 10 2HG PRO 10 -2.882 0.153 -9.127 69 2HG PRO 10 1HG PRO 10 -2.648 -1.443 -8.398 70 1HD PRO 10 2HD PRO 10 -1.044 -0.293 -10.427 71 2HD PRO 10 1HD PRO 10 -1.024 -1.994 -9.916 72 H THR 11 H THR 11 -2.445 0.427 -12.667 73 HA THR 11 HA THR 11 -4.863 2.083 -13.164 74 HB THR 11 HB THR 11 -1.905 2.741 -13.321 75 HG1 THR 11 HG1 THR 11 -2.185 3.312 -11.336 76 1HG2 THR 11 1HG2 THR 11 -3.004 4.107 -14.956 77 2HG2 THR 11 2HG2 THR 11 -2.792 5.116 -13.527 78 3HG2 THR 11 3HG2 THR 11 -4.369 4.410 -13.880 79 H CYS 12 H CYS 12 -1.954 0.947 -14.943 80 HA CYS 12 HA CYS 12 -3.472 1.378 -17.479 81 1HB CYS 12 2HB CYS 12 -1.315 1.439 -18.602 82 2HB CYS 12 1HB CYS 12 -1.287 2.558 -17.240 83 H GLY 13 H GLY 13 -1.786 -1.079 -15.578 84 1HA GLY 13 2HA GLY 13 -2.329 -3.432 -15.748 85 2HA GLY 13 1HA GLY 13 -2.907 -3.152 -17.393 86 H LYS 14 H LYS 14 0.094 -2.995 -15.464 87 HA LYS 14 HA LYS 14 1.562 -4.121 -17.806 88 1HB LYS 14 2HB LYS 14 1.784 -1.513 -17.255 89 2HB LYS 14 1HB LYS 14 2.943 -2.116 -16.070 90 1HG LYS 14 2HG LYS 14 3.578 -3.559 -18.353 91 2HG LYS 14 1HG LYS 14 3.170 -1.966 -18.990 92 1HD LYS 14 2HD LYS 14 4.985 -0.978 -18.045 93 2HD LYS 14 1HD LYS 14 4.842 -1.916 -16.558 94 1HE LYS 14 2HE LYS 14 5.573 -3.893 -18.223 95 2HE LYS 14 1HE LYS 14 6.332 -2.542 -19.062 96 1HZ LYS 14 1HZ LYS 14 7.092 -1.985 -16.616 97 2HZ LYS 14 2HZ LYS 14 7.972 -3.052 -17.602 98 3HZ LYS 14 3HZ LYS 14 6.909 -3.660 -16.425 99 H THR 15 H THR 15 2.962 -5.752 -17.247 100 HA THR 15 HA THR 15 2.945 -6.719 -14.496 101 HB THR 15 HB THR 15 4.632 -7.700 -16.820 102 HG1 THR 15 HG1 THR 15 2.876 -8.539 -17.574 103 1HG2 THR 15 1HG2 THR 15 4.739 -8.377 -14.152 104 2HG2 THR 15 2HG2 THR 15 5.247 -9.421 -15.480 105 3HG2 THR 15 3HG2 THR 15 3.628 -9.583 -14.799 106 H VAL 16 H VAL 16 4.181 -5.746 -12.991 107 HA VAL 16 HA VAL 16 6.905 -4.775 -13.767 108 HB VAL 16 HB VAL 16 5.233 -3.921 -11.380 109 1HG1 VAL 16 1HG1 VAL 16 7.870 -3.732 -11.526 110 2HG1 VAL 16 2HG1 VAL 16 6.913 -2.384 -10.914 111 3HG1 VAL 16 3HG1 VAL 16 7.501 -2.365 -12.576 112 1HG2 VAL 16 1HG2 VAL 16 5.750 -2.341 -13.911 113 2HG2 VAL 16 2HG2 VAL 16 4.623 -1.961 -12.609 114 3HG2 VAL 16 3HG2 VAL 16 4.298 -3.317 -13.687 115 H VAL 17 H VAL 17 8.597 -5.869 -12.880 116 HA VAL 17 HA VAL 17 8.240 -8.213 -11.305 117 HB VAL 17 HB VAL 17 10.237 -7.706 -12.739 118 1HG1 VAL 17 1HG1 VAL 17 10.462 -5.333 -11.809 119 2HG1 VAL 17 2HG1 VAL 17 11.961 -6.246 -11.975 120 3HG1 VAL 17 3HG1 VAL 17 11.209 -6.067 -10.391 121 1HG2 VAL 17 1HG2 VAL 17 10.182 -8.905 -10.087 122 2HG2 VAL 17 2HG2 VAL 17 11.790 -8.301 -10.482 123 3HG2 VAL 17 3HG2 VAL 17 11.000 -9.462 -11.547 124 H TRP 18 H TRP 18 8.267 -8.589 -9.120 125 HA TRP 18 HA TRP 18 8.338 -6.193 -7.335 126 1HB TRP 18 2HB TRP 18 6.230 -7.528 -7.345 127 2HB TRP 18 1HB TRP 18 7.148 -8.938 -6.819 128 HD1 TRP 18 HD1 TRP 18 7.615 -9.186 -4.306 129 HE1 TRP 18 HE1 TRP 18 7.185 -7.727 -2.225 130 HE3 TRP 18 HE3 TRP 18 6.086 -4.868 -6.559 131 HZ2 TRP 18 HZ2 TRP 18 6.308 -5.078 -1.600 132 HZ3 TRP 18 HZ3 TRP 18 5.460 -2.895 -5.200 133 HH2 TRP 18 HH2 TRP 18 5.568 -2.993 -2.725 134 H GLY 19 H GLY 19 9.445 -6.423 -5.264 135 1HA GLY 19 2HA GLY 19 10.912 -7.640 -3.748 136 2HA GLY 19 1HA GLY 19 11.399 -8.669 -5.095 137 H GLU 20 H GLU 20 13.518 -7.805 -3.880 138 HA GLU 20 HA GLU 20 14.401 -5.136 -4.600 139 1HB GLU 20 2HB GLU 20 15.543 -7.502 -3.240 140 2HB GLU 20 1HB GLU 20 16.713 -6.482 -4.077 141 1HG GLU 20 2HG GLU 20 16.474 -4.790 -2.582 142 2HG GLU 20 1HG GLU 20 14.719 -4.948 -2.556 143 H ILE 21 H ILE 21 14.494 -4.717 -6.762 144 HA ILE 21 HA ILE 21 16.589 -5.808 -8.373 145 HB ILE 21 HB ILE 21 15.237 -7.792 -8.591 146 1HG1 ILE 21 2HG1 ILE 21 14.494 -6.323 -11.098 147 2HG1 ILE 21 1HG1 ILE 21 16.200 -6.514 -10.696 148 1HG2 ILE 21 1HG2 ILE 21 13.079 -6.044 -8.215 149 2HG2 ILE 21 2HG2 ILE 21 12.986 -7.778 -8.506 150 3HG2 ILE 21 3HG2 ILE 21 12.882 -6.651 -9.856 151 1HD1 ILE 21 1HD1 ILE 21 16.018 -8.905 -10.669 152 2HD1 ILE 21 2HD1 ILE 21 15.216 -8.361 -12.142 153 3HD1 ILE 21 3HD1 ILE 21 14.256 -8.833 -10.740 154 H SER 22 H SER 22 13.408 -4.212 -8.389 155 HA SER 22 HA SER 22 14.454 -2.315 -10.457 156 1HB SER 22 2HB SER 22 11.861 -3.704 -10.148 157 2HB SER 22 1HB SER 22 11.736 -1.991 -10.537 158 HG SER 22 HG SER 22 11.903 -3.345 -12.400 159 HA PRO 23 HA PRO 23 13.826 0.909 -7.517 160 1HB PRO 23 2HB PRO 23 13.320 3.009 -9.220 161 2HB PRO 23 1HB PRO 23 14.931 2.315 -8.965 162 1HG PRO 23 2HG PRO 23 13.095 1.996 -11.296 163 2HG PRO 23 1HG PRO 23 14.864 1.909 -11.240 164 1HD PRO 23 2HD PRO 23 13.115 -0.304 -11.357 165 2HD PRO 23 1HD PRO 23 14.837 -0.364 -10.925 166 H PHE 24 H PHE 24 11.334 0.569 -10.047 167 HA PHE 24 HA PHE 24 9.317 1.676 -8.142 168 1HB PHE 24 2HB PHE 24 9.804 2.409 -10.762 169 2HB PHE 24 1HB PHE 24 8.467 1.273 -10.935 170 HD1 PHE 24 HD1 PHE 24 6.268 1.989 -10.525 171 HD2 PHE 24 HD2 PHE 24 9.558 4.229 -8.904 172 HE1 PHE 24 HE1 PHE 24 4.692 3.728 -9.727 173 HE2 PHE 24 HE2 PHE 24 7.979 5.966 -8.107 174 HZ PHE 24 HZ PHE 24 5.547 5.716 -8.518 175 H ARG 25 H ARG 25 9.635 -0.618 -7.202 176 HA ARG 25 HA ARG 25 8.779 -2.966 -8.530 177 1HB ARG 25 2HB ARG 25 8.834 -2.119 -5.647 178 2HB ARG 25 1HB ARG 25 8.053 -3.635 -6.090 179 1HG ARG 25 2HG ARG 25 10.075 -4.614 -6.153 180 2HG ARG 25 1HG ARG 25 10.508 -3.562 -7.500 181 1HD ARG 25 2HD ARG 25 12.130 -3.326 -5.662 182 2HD ARG 25 1HD ARG 25 11.242 -1.823 -5.904 183 HE ARG 25 HE ARG 25 10.210 -2.137 -3.787 184 1HH1 ARG 25 1HH2 ARG 25 12.859 -3.453 -3.087 185 2HH1 ARG 25 2HH2 ARG 25 12.326 -4.926 -2.351 186 1HH2 ARG 25 2HH1 ARG 25 9.089 -4.687 -3.596 187 2HH2 ARG 25 1HH1 ARG 25 10.184 -5.628 -2.639 188 HA PRO 26 HA PRO 26 4.291 -2.032 -7.143 189 1HB PRO 26 2HB PRO 26 3.787 0.384 -5.929 190 2HB PRO 26 1HB PRO 26 4.214 -1.085 -5.034 191 1HG PRO 26 2HG PRO 26 5.891 1.311 -5.621 192 2HG PRO 26 1HG PRO 26 6.000 0.168 -4.272 193 1HD PRO 26 2HD PRO 26 7.668 0.197 -6.551 194 2HD PRO 26 1HD PRO 26 7.530 -1.126 -5.374 195 H PHE 27 H PHE 27 3.080 -1.477 -8.931 196 HA PHE 27 HA PHE 27 2.287 -0.297 -10.796 197 1HB PHE 27 2HB PHE 27 3.521 2.024 -9.283 198 2HB PHE 27 1HB PHE 27 2.652 2.217 -10.802 199 HD1 PHE 27 HD1 PHE 27 0.287 2.266 -10.860 200 HD2 PHE 27 HD2 PHE 27 2.312 0.937 -7.312 201 HE1 PHE 27 HE1 PHE 27 -1.863 2.267 -9.628 202 HE2 PHE 27 HE2 PHE 27 0.160 0.938 -6.083 203 HZ PHE 27 HZ PHE 27 -1.928 1.604 -7.241 204 H CYS 28 H CYS 28 3.196 1.133 -12.694 205 HA CYS 28 HA CYS 28 5.971 0.174 -13.225 206 1HB CYS 28 2HB CYS 28 5.414 0.518 -15.616 207 2HB CYS 28 1HB CYS 28 4.284 -0.586 -14.833 208 H SER 29 H SER 29 3.976 3.104 -13.130 209 HA SER 29 HA SER 29 6.485 4.702 -13.342 210 1HB SER 29 2HB SER 29 5.377 6.319 -14.823 211 2HB SER 29 1HB SER 29 5.386 4.721 -15.562 212 HG SER 29 HG SER 29 3.321 5.323 -15.761 213 H LYS 30 H LYS 30 6.166 6.964 -12.531 214 HA LYS 30 HA LYS 30 4.862 6.991 -9.970 215 1HB LYS 30 2HB LYS 30 6.691 8.634 -11.363 216 2HB LYS 30 1HB LYS 30 5.300 9.659 -11.011 217 1HG LYS 30 2HG LYS 30 6.141 7.920 -8.774 218 2HG LYS 30 1HG LYS 30 7.319 9.148 -9.235 219 1HD LYS 30 2HD LYS 30 6.083 10.780 -8.299 220 2HD LYS 30 1HD LYS 30 4.654 10.279 -9.205 221 1HE LYS 30 2HE LYS 30 5.160 8.330 -7.168 222 2HE LYS 30 1HE LYS 30 5.180 9.927 -6.425 223 1HZ LYS 30 1HZ LYS 30 3.055 9.493 -8.341 224 2HZ LYS 30 2HZ LYS 30 3.016 10.229 -6.809 225 3HZ LYS 30 3HZ LYS 30 2.959 8.537 -6.943 226 H ARG 31 H ARG 31 3.951 8.271 -13.162 227 HA ARG 31 HA ARG 31 1.625 9.713 -12.328 228 1HB ARG 31 2HB ARG 31 2.937 9.328 -14.727 229 2HB ARG 31 1HB ARG 31 1.426 8.454 -14.978 230 1HG ARG 31 2HG ARG 31 0.647 10.530 -15.542 231 2HG ARG 31 1HG ARG 31 0.470 10.698 -13.796 232 1HD ARG 31 2HD ARG 31 3.165 11.327 -14.846 233 2HD ARG 31 1HD ARG 31 1.889 12.436 -15.347 234 HE ARG 31 HE ARG 31 1.380 12.661 -12.847 235 1HH1 ARG 31 2HH1 ARG 31 3.982 13.999 -13.807 236 2HH1 ARG 31 1HH1 ARG 31 5.070 13.527 -12.544 237 1HH2 ARG 31 1HH2 ARG 31 2.984 11.040 -11.306 238 2HH2 ARG 31 2HH2 ARG 31 4.504 11.850 -11.128 239 H CYS 32 H CYS 32 2.057 6.327 -13.387 240 HA CYS 32 HA CYS 32 -0.693 5.583 -13.393 241 1HB CYS 32 2HB CYS 32 1.901 4.125 -13.143 242 2HB CYS 32 1HB CYS 32 0.437 3.262 -12.673 243 H GLN 33 H GLN 33 1.741 5.316 -10.771 244 HA GLN 33 HA GLN 33 -0.068 4.342 -8.774 245 1HB GLN 33 2HB GLN 33 2.485 4.397 -8.659 246 2HB GLN 33 1HB GLN 33 2.338 6.107 -8.250 247 1HG GLN 33 2HG GLN 33 0.951 5.539 -6.301 248 2HG GLN 33 1HG GLN 33 1.049 3.828 -6.716 249 1HE2 GLN 33 1HE2 GLN 33 3.210 2.779 -6.529 250 2HE2 GLN 33 2HE2 GLN 33 4.401 3.464 -5.533 251 H LEU 34 H LEU 34 0.754 7.603 -9.873 252 HA LEU 34 HA LEU 34 -0.595 9.051 -7.789 253 1HB LEU 34 2HB LEU 34 1.080 9.851 -9.670 254 2HB LEU 34 1HB LEU 34 -0.394 10.102 -10.601 255 HG LEU 34 HG LEU 34 -1.273 11.468 -8.646 256 1HD1 LEU 34 1HD1 LEU 34 1.564 10.981 -7.742 257 2HD1 LEU 34 2HD1 LEU 34 0.073 10.767 -6.826 258 3HD1 LEU 34 3HD1 LEU 34 0.654 12.390 -7.201 259 1HD2 LEU 34 1HD2 LEU 34 1.191 12.281 -10.198 260 2HD2 LEU 34 2HD2 LEU 34 0.328 13.415 -9.159 261 3HD2 LEU 34 3HD2 LEU 34 -0.493 12.682 -10.538 262 H ILE 35 H ILE 35 -1.648 8.690 -11.206 263 HA ILE 35 HA ILE 35 -4.312 9.491 -10.889 264 HB ILE 35 HB ILE 35 -3.230 7.348 -12.747 265 1HG1 ILE 35 2HG1 ILE 35 -3.890 10.124 -13.629 266 2HG1 ILE 35 1HG1 ILE 35 -2.427 9.920 -12.667 267 1HG2 ILE 35 1HG2 ILE 35 -5.624 7.147 -12.701 268 2HG2 ILE 35 2HG2 ILE 35 -5.228 8.071 -14.150 269 3HG2 ILE 35 3HG2 ILE 35 -5.834 8.899 -12.715 270 1HD1 ILE 35 1HD1 ILE 35 -2.314 9.673 -15.286 271 2HD1 ILE 35 2HD1 ILE 35 -2.940 8.057 -14.965 272 3HD1 ILE 35 3HD1 ILE 35 -1.404 8.563 -14.261 273 H ASP 36 H ASP 36 -2.879 6.363 -10.060 274 HA ASP 36 HA ASP 36 -5.174 4.755 -9.828 275 1HB ASP 36 2HB ASP 36 -2.688 4.156 -9.403 276 2HB ASP 36 1HB ASP 36 -2.984 4.699 -7.752 277 H LEU 37 H LEU 37 -3.878 7.119 -7.483 278 HA LEU 37 HA LEU 37 -5.793 6.590 -5.408 279 1HB LEU 37 2HB LEU 37 -3.820 8.702 -6.037 280 2HB LEU 37 1HB LEU 37 -5.185 9.234 -5.057 281 HG LEU 37 HG LEU 37 -3.862 6.661 -4.313 282 1HD1 LEU 37 1HD1 LEU 37 -1.963 8.181 -4.741 283 2HD1 LEU 37 2HD1 LEU 37 -2.146 7.866 -3.016 284 3HD1 LEU 37 3HD1 LEU 37 -2.701 9.395 -3.696 285 1HD2 LEU 37 1HD2 LEU 37 -4.565 8.853 -2.410 286 2HD2 LEU 37 2HD2 LEU 37 -4.777 7.110 -2.242 287 3HD2 LEU 37 3HD2 LEU 37 -5.896 8.044 -3.237 288 H GLY 38 H GLY 38 -5.696 9.305 -7.765 289 1HA GLY 38 2HA GLY 38 -7.685 9.841 -9.113 290 2HA GLY 38 1HA GLY 38 -8.685 9.238 -7.795 291 H GLU 39 H GLU 39 -5.927 11.314 -7.123 292 HA GLU 39 HA GLU 39 -7.791 13.611 -6.684 293 1HB GLU 39 2HB GLU 39 -6.815 12.143 -4.613 294 2HB GLU 39 1HB GLU 39 -5.516 13.322 -4.793 295 1HG GLU 39 2HG GLU 39 -8.169 14.549 -4.966 296 2HG GLU 39 1HG GLU 39 -7.904 13.734 -3.425 297 H TRP 40 H TRP 40 -6.301 13.377 -8.988 298 HA TRP 40 HA TRP 40 -4.281 15.536 -8.650 299 1HB TRP 40 2HB TRP 40 -3.736 13.261 -10.539 300 2HB TRP 40 1HB TRP 40 -2.598 14.400 -9.817 301 HD1 TRP 40 HD1 TRP 40 -4.220 11.076 -9.272 302 HE1 TRP 40 HE1 TRP 40 -3.450 10.091 -7.023 303 HE3 TRP 40 HE3 TRP 40 -1.860 15.130 -7.297 304 HZ2 TRP 40 HZ2 TRP 40 -2.024 10.906 -4.692 305 HZ3 TRP 40 HZ3 TRP 40 -0.796 15.005 -5.064 306 HH2 TRP 40 HH2 TRP 40 -0.875 12.901 -3.755 307 H ALA 41 H ALA 41 -5.877 13.504 -11.110 308 HA ALA 41 HA ALA 41 -6.845 14.053 -13.161 309 1HB ALA 41 1HB ALA 41 -7.248 16.894 -12.311 310 2HB ALA 41 2HB ALA 41 -8.065 15.638 -11.381 311 3HB ALA 41 3HB ALA 41 -8.368 15.791 -13.112 312 H ALA 42 H ALA 42 -4.185 14.014 -13.314 313 HA ALA 42 HA ALA 42 -3.299 16.544 -14.632 314 1HB ALA 42 1HB ALA 42 -1.802 15.643 -12.874 315 2HB ALA 42 2HB ALA 42 -1.022 15.606 -14.455 316 3HB ALA 42 3HB ALA 42 -1.682 14.124 -13.764 317 H GLU 43 H GLU 43 -3.709 13.070 -15.120 318 HA GLU 43 HA GLU 43 -3.084 13.365 -18.022 319 1HB GLU 43 2HB GLU 43 -2.468 11.387 -16.077 320 2HB GLU 43 1HB GLU 43 -3.611 10.650 -17.194 321 1HG GLU 43 2HG GLU 43 -1.949 11.931 -18.940 322 2HG GLU 43 1HG GLU 43 -0.824 11.523 -17.644 323 H GLU 44 H GLU 44 -5.018 14.028 -19.004 324 HA GLU 44 HA GLU 44 -7.302 12.152 -18.809 325 1HB GLU 44 2HB GLU 44 -8.890 14.150 -18.602 326 2HB GLU 44 1HB GLU 44 -8.001 13.705 -17.147 327 1HG GLU 44 2HG GLU 44 -6.433 15.562 -18.700 328 2HG GLU 44 1HG GLU 44 -8.046 16.227 -18.437 329 H LYS 45 H LYS 45 -6.801 11.611 -20.991 330 HA LYS 45 HA LYS 45 -7.452 13.762 -22.971 331 1HB LYS 45 2HB LYS 45 -5.354 11.633 -22.973 332 2HB LYS 45 1HB LYS 45 -6.125 12.009 -24.516 333 1HG LYS 45 2HG LYS 45 -5.185 14.087 -24.630 334 2HG LYS 45 1HG LYS 45 -5.358 14.366 -22.898 335 1HD LYS 45 2HD LYS 45 -3.480 12.359 -22.951 336 2HD LYS 45 1HD LYS 45 -3.074 13.272 -24.406 337 1HE LYS 45 2HE LYS 45 -3.137 15.370 -22.997 338 2HE LYS 45 1HE LYS 45 -3.286 14.335 -21.576 339 1HZ LYS 45 1HZ LYS 45 -1.200 13.339 -22.046 340 2HZ LYS 45 2HZ LYS 45 -0.975 15.020 -22.117 341 3HZ LYS 45 3HZ LYS 45 -1.082 14.117 -23.551 342 H ARG 46 H ARG 46 -9.689 13.121 -22.541 343 HA ARG 46 HA ARG 46 -10.490 10.658 -24.051 344 1HB ARG 46 2HB ARG 46 -12.302 10.308 -22.462 345 2HB ARG 46 1HB ARG 46 -10.791 10.418 -21.561 346 1HG ARG 46 2HG ARG 46 -11.459 13.015 -21.514 347 2HG ARG 46 1HG ARG 46 -13.077 12.339 -21.680 348 1HD ARG 46 2HD ARG 46 -13.087 11.843 -19.488 349 2HD ARG 46 1HD ARG 46 -11.703 10.779 -19.727 350 HE ARG 46 HE ARG 46 -11.148 13.675 -19.394 351 1HH1 ARG 46 1HH2 ARG 46 -9.260 11.215 -19.101 352 2HH1 ARG 46 2HH2 ARG 46 -9.030 11.226 -17.384 353 1HH2 ARG 46 2HH1 ARG 46 -11.680 13.368 -16.756 354 2HH2 ARG 46 1HH1 ARG 46 -10.394 12.439 -16.060 355 H ILE 47 H ILE 47 -12.947 10.857 -24.630 356 HA ILE 47 HA ILE 47 -13.339 13.505 -25.908 357 HB ILE 47 HB ILE 47 -15.308 12.328 -27.022 358 1HG1 ILE 47 2HG1 ILE 47 -14.200 9.670 -26.468 359 2HG1 ILE 47 1HG1 ILE 47 -14.897 10.427 -25.036 360 1HG2 ILE 47 1HG2 ILE 47 -12.802 10.758 -27.531 361 2HG2 ILE 47 2HG2 ILE 47 -12.818 12.493 -27.848 362 3HG2 ILE 47 3HG2 ILE 47 -13.951 11.432 -28.687 363 1HD1 ILE 47 1HD1 ILE 47 -17.018 10.678 -26.066 364 2HD1 ILE 47 2HD1 ILE 47 -16.492 9.058 -26.521 365 3HD1 ILE 47 3HD1 ILE 47 -16.361 10.383 -27.677 366 HA PRO 48 HA PRO 48 -16.079 14.617 -22.589 367 1HB PRO 48 2HB PRO 48 -16.940 16.982 -23.714 368 2HB PRO 48 1HB PRO 48 -15.389 16.791 -22.878 369 1HG PRO 48 2HG PRO 48 -15.938 16.960 -25.812 370 2HG PRO 48 1HG PRO 48 -14.499 17.462 -24.908 371 1HD PRO 48 2HD PRO 48 -14.705 15.108 -26.419 372 2HD PRO 48 1HD PRO 48 -13.494 15.409 -25.153 373 H SER 49 H SER 49 -17.164 14.863 -25.984 374 HA SER 49 HA SER 49 -19.728 13.582 -25.210 375 1HB SER 49 2HB SER 49 -19.412 16.362 -26.080 376 2HB SER 49 1HB SER 49 -20.510 15.456 -27.114 377 HG SER 49 HG SER 49 -21.588 16.366 -25.319 378 H SER 50 H SER 50 -20.249 12.016 -26.682 379 HA SER 50 HA SER 50 -18.521 11.671 -29.033 380 1HB SER 50 2HB SER 50 -19.794 9.560 -29.350 381 2HB SER 50 1HB SER 50 -19.136 9.700 -27.723 382 HG SER 50 HG SER 50 -21.234 9.125 -27.461 383 H GLY 51 H GLY 51 -19.455 11.330 -31.216 384 1HA GLY 51 2HA GLY 51 -21.205 11.679 -32.859 385 2HA GLY 51 1HA GLY 51 -22.073 12.667 -31.685 386 H ASP 52 H ASP 52 -19.791 14.250 -30.874 387 HA ASP 52 HA ASP 52 -19.504 15.936 -33.315 388 1HB ASP 52 2HB ASP 52 -18.976 17.777 -31.674 389 2HB ASP 52 1HB ASP 52 -20.609 17.133 -31.534 390 H LEU 53 H LEU 53 -17.682 14.534 -30.595 391 HA LEU 53 HA LEU 53 -15.135 15.433 -31.839 392 1HB LEU 53 2HB LEU 53 -16.027 14.883 -29.135 393 2HB LEU 53 1HB LEU 53 -14.592 13.933 -29.512 394 HG LEU 53 HG LEU 53 -14.209 16.566 -30.566 395 1HD1 LEU 53 1HD1 LEU 53 -15.152 17.942 -29.063 396 2HD1 LEU 53 2HD1 LEU 53 -14.242 17.158 -27.774 397 3HD1 LEU 53 3HD1 LEU 53 -15.841 16.559 -28.214 398 1HD2 LEU 53 1HD2 LEU 53 -12.417 15.043 -29.884 399 2HD2 LEU 53 2HD2 LEU 53 -12.989 15.080 -28.216 400 3HD2 LEU 53 3HD2 LEU 53 -12.308 16.533 -28.946 401 H SER 54 H SER 54 -16.405 12.408 -30.385 402 HA SER 54 HA SER 54 -14.438 10.713 -31.600 403 1HB SER 54 2HB SER 54 -16.825 10.401 -29.959 404 2HB SER 54 1HB SER 54 -16.705 9.130 -31.173 405 HG SER 54 HG SER 54 -15.562 8.822 -29.091 406 H GLU 55 H GLU 55 -17.893 11.155 -32.426 407 HA GLU 55 HA GLU 55 -17.513 9.779 -34.997 408 1HB GLU 55 2HB GLU 55 -19.562 9.496 -33.572 409 2HB GLU 55 1HB GLU 55 -19.969 11.176 -33.910 410 1HG GLU 55 2HG GLU 55 -19.367 9.803 -36.380 411 2HG GLU 55 1HG GLU 55 -20.604 8.920 -35.485 412 H SER 56 H SER 56 -17.034 10.803 -36.859 413 HA SER 56 HA SER 56 -17.342 13.774 -36.990 414 1HB SER 56 2HB SER 56 -15.337 11.869 -38.022 415 2HB SER 56 1HB SER 56 -15.850 13.082 -39.190 416 HG SER 56 HG SER 56 -14.092 13.438 -37.373 417 H ASP 57 H ASP 57 -17.666 10.834 -39.020 418 HA ASP 57 HA ASP 57 -19.391 12.238 -40.937 419 1HB ASP 57 2HB ASP 57 -17.806 9.905 -41.010 420 2HB ASP 57 1HB ASP 57 -19.471 9.336 -41.129 421 H ASP 58 H ASP 58 -21.316 12.835 -39.812 422 HA ASP 58 HA ASP 58 -22.670 11.115 -37.965 423 1HB ASP 58 2HB ASP 58 -23.155 13.687 -39.169 424 2HB ASP 58 1HB ASP 58 -24.632 12.720 -39.222 425 H TRP 59 H TRP 59 -24.101 9.455 -38.290 426 HA TRP 59 HA TRP 59 -24.352 8.571 -41.095 427 1HB TRP 59 2HB TRP 59 -24.643 7.164 -38.449 428 2HB TRP 59 1HB TRP 59 -25.113 6.402 -39.976 429 HD1 TRP 59 HD1 TRP 59 -22.358 6.144 -37.887 430 HE1 TRP 59 HE1 TRP 59 -20.108 5.936 -39.133 431 HE3 TRP 59 HE3 TRP 59 -23.763 7.778 -42.513 432 HZ2 TRP 59 HZ2 TRP 59 -19.050 6.408 -41.755 433 HZ3 TRP 59 HZ3 TRP 59 -22.124 7.890 -44.361 434 HH2 TRP 59 HH2 TRP 59 -19.771 7.209 -43.991 435 H SER 60 H SER 60 -25.991 10.575 -40.962 436 HA SER 60 HA SER 60 -28.704 9.813 -40.140 437 1HB SER 60 2HB SER 60 -29.276 11.920 -41.505 438 2HB SER 60 1HB SER 60 -28.238 12.166 -40.105 439 HG SER 60 HG SER 60 -27.079 13.132 -41.627 440 H GLU 61 H GLU 61 -27.994 7.726 -41.493 441 HA GLU 61 HA GLU 61 -27.677 6.976 -43.903 442 1HB GLU 61 2HB GLU 61 -30.234 6.399 -42.434 443 2HB GLU 61 1HB GLU 61 -29.859 5.627 -43.978 444 1HG GLU 61 2HG GLU 61 -28.627 4.123 -42.823 445 2HG GLU 61 1HG GLU 61 -27.491 5.428 -42.482 446 H GLU 62 H GLU 62 -31.136 7.768 -43.836 447 HA GLU 62 HA GLU 62 -30.711 9.064 -46.479 448 1HB GLU 62 2HB GLU 62 -32.661 7.181 -45.482 449 2HB GLU 62 1HB GLU 62 -33.466 8.630 -46.086 450 1HG GLU 62 2HG GLU 62 -31.295 7.221 -47.645 451 2HG GLU 62 1HG GLU 62 -33.001 6.800 -47.806 452 HA PRO 63 HA PRO 63 -31.998 12.602 -43.946 453 1HB PRO 63 2HB PRO 63 -30.431 14.424 -45.278 454 2HB PRO 63 1HB PRO 63 -29.878 13.479 -43.888 455 1HG PRO 63 2HG PRO 63 -29.222 13.134 -46.772 456 2HG PRO 63 1HG PRO 63 -28.267 12.703 -45.340 457 1HD PRO 63 2HD PRO 63 -29.763 10.892 -46.908 458 2HD PRO 63 1HD PRO 63 -29.134 10.578 -45.279 459 H LYS 64 H LYS 64 -31.943 11.952 -47.408 460 HA LYS 64 HA LYS 64 -34.542 12.806 -47.933 461 1HB LYS 64 2HB LYS 64 -32.829 15.069 -47.558 462 2HB LYS 64 1HB LYS 64 -33.304 15.014 -49.253 463 1HG LYS 64 2HG LYS 64 -35.665 14.402 -48.040 464 2HG LYS 64 1HG LYS 64 -34.955 15.494 -46.855 465 1HD LYS 64 2HD LYS 64 -35.879 17.085 -48.197 466 2HD LYS 64 1HD LYS 64 -34.393 16.852 -49.119 467 1HE LYS 64 2HE LYS 64 -36.191 14.808 -49.925 468 2HE LYS 64 1HE LYS 64 -37.087 16.323 -49.943 469 1HZ LYS 64 1HZ LYS 64 -34.581 15.673 -51.374 470 2HZ LYS 64 2HZ LYS 64 -35.143 17.272 -51.176 471 3HZ LYS 64 3HZ LYS 64 -36.083 16.138 -52.019 472 H GLN 65 HN GLN 65 -35.051 11.956 -49.877 473 HA GLN 65 HA GLN 65 -34.777 10.965 -51.981 474 1HB GLN 65 2HB GLN 65 -34.287 13.607 -52.178 475 2HB GLN 65 1HB GLN 65 -32.720 13.002 -52.715 476 1HG GLN 65 2HG GLN 65 -33.595 12.021 -54.619 477 2HG GLN 65 1HG GLN 65 -35.183 11.751 -53.889 478 1HE2 GLN 65 1HE2 GLN 65 -36.549 13.814 -53.569 479 2HE2 GLN 65 2HE2 GLN 65 -36.339 15.089 -54.673 Start of MODEL 3 1 H MET 1 1H MET 1 17.788 -21.384 -4.005 2 HA MET 1 HA MET 1 16.964 -19.688 -5.764 3 1HB MET 1 2HB MET 1 15.837 -21.918 -4.433 4 2HB MET 1 1HB MET 1 14.552 -20.717 -4.550 5 1HG MET 1 2HG MET 1 14.729 -20.604 -6.922 6 2HG MET 1 1HG MET 1 16.287 -21.437 -6.921 7 1HE MET 1 1HE MET 1 13.763 -22.024 -8.697 8 2HE MET 1 2HE MET 1 13.727 -23.785 -8.737 9 3HE MET 1 3HE MET 1 15.265 -22.941 -8.866 10 H SER 2 H SER 2 15.968 -17.725 -5.990 11 HA SER 2 HA SER 2 15.000 -16.382 -3.508 12 1HB SER 2 2HB SER 2 15.222 -14.277 -4.906 13 2HB SER 2 1HB SER 2 16.734 -15.117 -4.585 14 HG SER 2 HG SER 2 16.207 -14.414 -6.843 15 H GLU 3 H GLU 3 14.104 -16.809 -6.948 16 HA GLU 3 HA GLU 3 12.015 -16.863 -7.991 17 1HB GLU 3 2HB GLU 3 11.649 -18.370 -5.827 18 2HB GLU 3 1HB GLU 3 10.595 -17.036 -5.361 19 1HG GLU 3 2HG GLU 3 10.355 -18.159 -8.133 20 2HG GLU 3 1HG GLU 3 9.651 -19.057 -6.789 21 H THR 4 H THR 4 12.015 -14.720 -8.711 22 HA THR 4 HA THR 4 10.931 -12.630 -6.901 23 HB THR 4 HB THR 4 12.058 -12.374 -9.708 24 HG1 THR 4 HG1 THR 4 13.874 -12.593 -8.702 25 1HG2 THR 4 1HG2 THR 4 12.347 -9.943 -8.693 26 2HG2 THR 4 2HG2 THR 4 10.998 -10.450 -7.677 27 3HG2 THR 4 3HG2 THR 4 10.823 -10.434 -9.431 28 H ILE 5 H ILE 5 8.809 -12.096 -7.008 29 HA ILE 5 HA ILE 5 7.193 -13.114 -9.286 30 HB ILE 5 HB ILE 5 5.237 -12.501 -7.870 31 1HG1 ILE 5 2HG1 ILE 5 6.892 -12.114 -5.455 32 2HG1 ILE 5 1HG1 ILE 5 6.974 -10.782 -6.607 33 1HG2 ILE 5 1HG2 ILE 5 5.982 -14.745 -7.635 34 2HG2 ILE 5 2HG2 ILE 5 5.800 -14.150 -5.986 35 3HG2 ILE 5 3HG2 ILE 5 7.403 -14.259 -6.711 36 1HD1 ILE 5 1HD1 ILE 5 4.772 -10.212 -6.314 37 2HD1 ILE 5 2HD1 ILE 5 5.027 -10.981 -4.747 38 3HD1 ILE 5 3HD1 ILE 5 4.267 -11.882 -6.058 39 H THR 6 H THR 6 5.456 -11.591 -10.138 40 HA THR 6 HA THR 6 6.455 -8.768 -10.200 41 HB THR 6 HB THR 6 5.713 -8.686 -12.588 42 HG1 THR 6 HG1 THR 6 5.586 -11.507 -12.394 43 1HG2 THR 6 1HG2 THR 6 7.918 -10.402 -11.571 44 2HG2 THR 6 2HG2 THR 6 7.987 -8.961 -12.583 45 3HG2 THR 6 3HG2 THR 6 7.555 -10.516 -13.293 46 H VAL 7 H VAL 7 4.934 -7.256 -9.750 47 HA VAL 7 HA VAL 7 2.112 -8.140 -9.423 48 HB VAL 7 HB VAL 7 3.662 -5.734 -8.429 49 1HG1 VAL 7 1HG1 VAL 7 0.688 -6.288 -8.396 50 2HG1 VAL 7 2HG1 VAL 7 1.517 -4.830 -8.942 51 3HG1 VAL 7 3HG1 VAL 7 1.454 -5.216 -7.222 52 1HG2 VAL 7 1HG2 VAL 7 4.071 -7.457 -6.930 53 2HG2 VAL 7 2HG2 VAL 7 2.533 -8.251 -7.260 54 3HG2 VAL 7 3HG2 VAL 7 2.581 -6.806 -6.248 55 H ASN 8 H ASN 8 0.549 -7.458 -10.824 56 HA ASN 8 HA ASN 8 1.316 -5.861 -13.154 57 1HB ASN 8 2HB ASN 8 -0.675 -7.779 -12.574 58 2HB ASN 8 1HB ASN 8 -1.538 -6.281 -12.928 59 1HD2 ASN 8 1HD2 ASN 8 -1.367 -5.399 -15.096 60 2HD2 ASN 8 2HD2 ASN 8 -0.656 -6.271 -16.366 61 H CYS 9 H CYS 9 0.712 -3.753 -13.594 62 HA CYS 9 HA CYS 9 0.011 -2.043 -11.358 63 1HB CYS 9 2HB CYS 9 1.476 -1.421 -13.354 64 2HB CYS 9 1HB CYS 9 -0.012 -1.289 -14.291 65 HA PRO 10 HA PRO 10 -4.385 -2.529 -11.949 66 1HB PRO 10 2HB PRO 10 -5.093 -0.933 -9.825 67 2HB PRO 10 1HB PRO 10 -4.557 -2.613 -9.657 68 1HG PRO 10 2HG PRO 10 -3.078 -0.102 -9.037 69 2HG PRO 10 1HG PRO 10 -2.876 -1.722 -8.350 70 1HD PRO 10 2HD PRO 10 -1.222 -0.528 -10.319 71 2HD PRO 10 1HD PRO 10 -1.222 -2.241 -9.846 72 H THR 11 H THR 11 -2.541 0.273 -12.495 73 HA THR 11 HA THR 11 -4.904 1.998 -13.009 74 HB THR 11 HB THR 11 -1.924 2.574 -13.065 75 HG1 THR 11 HG1 THR 11 -2.242 3.078 -11.069 76 1HG2 THR 11 1HG2 THR 11 -3.153 3.945 -14.722 77 2HG2 THR 11 2HG2 THR 11 -2.563 4.924 -13.380 78 3HG2 THR 11 3HG2 THR 11 -4.263 4.464 -13.454 79 H CYS 12 H CYS 12 -1.938 0.962 -14.767 80 HA CYS 12 HA CYS 12 -3.374 1.501 -17.323 81 1HB CYS 12 2HB CYS 12 -1.154 1.418 -18.374 82 2HB CYS 12 1HB CYS 12 -1.164 2.567 -17.037 83 H GLY 13 H GLY 13 -1.875 -1.116 -15.475 84 1HA GLY 13 2HA GLY 13 -2.499 -3.427 -15.733 85 2HA GLY 13 1HA GLY 13 -3.115 -3.058 -17.345 86 H LYS 14 H LYS 14 0.006 -2.859 -15.599 87 HA LYS 14 HA LYS 14 1.302 -4.212 -17.926 88 1HB LYS 14 2HB LYS 14 1.597 -1.519 -17.400 89 2HB LYS 14 1HB LYS 14 2.976 -2.219 -16.552 90 1HG LYS 14 2HG LYS 14 3.567 -3.467 -18.639 91 2HG LYS 14 1HG LYS 14 2.258 -2.622 -19.471 92 1HD LYS 14 2HD LYS 14 3.538 -0.790 -19.754 93 2HD LYS 14 1HD LYS 14 3.918 -0.732 -18.035 94 1HE LYS 14 2HE LYS 14 5.467 -2.826 -18.763 95 2HE LYS 14 1HE LYS 14 5.463 -1.926 -20.276 96 1HZ LYS 14 1HZ LYS 14 6.894 -1.381 -17.923 97 2HZ LYS 14 2HZ LYS 14 5.825 -0.090 -18.204 98 3HZ LYS 14 3HZ LYS 14 6.939 -0.552 -19.401 99 H THR 15 H THR 15 2.872 -5.712 -17.337 100 HA THR 15 HA THR 15 2.899 -6.605 -14.575 101 HB THR 15 HB THR 15 4.710 -7.480 -16.848 102 HG1 THR 15 HG1 THR 15 3.042 -8.470 -17.609 103 1HG2 THR 15 1HG2 THR 15 4.747 -8.122 -14.131 104 2HG2 THR 15 2HG2 THR 15 5.509 -9.039 -15.429 105 3HG2 THR 15 3HG2 THR 15 3.888 -9.466 -14.882 106 H VAL 16 H VAL 16 4.082 -5.644 -13.022 107 HA VAL 16 HA VAL 16 6.712 -4.416 -13.769 108 HB VAL 16 HB VAL 16 4.831 -3.681 -11.499 109 1HG1 VAL 16 1HG1 VAL 16 6.427 -1.748 -11.251 110 2HG1 VAL 16 2HG1 VAL 16 7.505 -2.561 -12.383 111 3HG1 VAL 16 3HG1 VAL 16 7.127 -3.310 -10.832 112 1HG2 VAL 16 1HG2 VAL 16 4.549 -1.573 -12.774 113 2HG2 VAL 16 2HG2 VAL 16 4.006 -2.964 -13.711 114 3HG2 VAL 16 3HG2 VAL 16 5.568 -2.221 -14.059 115 H VAL 17 H VAL 17 8.507 -5.108 -12.627 116 HA VAL 17 HA VAL 17 8.459 -7.587 -11.241 117 HB VAL 17 HB VAL 17 10.478 -6.569 -12.324 118 1HG1 VAL 17 1HG1 VAL 17 11.693 -4.814 -11.289 119 2HG1 VAL 17 2HG1 VAL 17 10.770 -4.948 -9.792 120 3HG1 VAL 17 3HG1 VAL 17 10.012 -4.281 -11.237 121 1HG2 VAL 17 1HG2 VAL 17 10.676 -8.449 -10.721 122 2HG2 VAL 17 2HG2 VAL 17 10.807 -7.295 -9.394 123 3HG2 VAL 17 3HG2 VAL 17 12.068 -7.372 -10.624 124 H TRP 18 H TRP 18 8.325 -8.132 -9.087 125 HA TRP 18 HA TRP 18 7.754 -5.913 -7.159 126 1HB TRP 18 2HB TRP 18 5.766 -7.264 -7.557 127 2HB TRP 18 1HB TRP 18 6.669 -8.747 -7.254 128 HD1 TRP 18 HD1 TRP 18 7.161 -9.413 -4.776 129 HE1 TRP 18 HE1 TRP 18 6.347 -8.511 -2.504 130 HE3 TRP 18 HE3 TRP 18 5.014 -5.030 -6.284 131 HZ2 TRP 18 HZ2 TRP 18 4.972 -6.235 -1.465 132 HZ3 TRP 18 HZ3 TRP 18 3.958 -3.517 -4.629 133 HH2 TRP 18 HH2 TRP 18 3.933 -4.113 -2.224 134 H GLY 19 H GLY 19 8.581 -6.186 -4.989 135 1HA GLY 19 2HA GLY 19 9.817 -7.746 -3.416 136 2HA GLY 19 1HA GLY 19 10.838 -8.150 -4.796 137 H GLU 20 H GLU 20 12.786 -7.369 -3.906 138 HA GLU 20 HA GLU 20 12.861 -4.450 -3.271 139 1HB GLU 20 2HB GLU 20 14.028 -6.748 -1.984 140 2HB GLU 20 1HB GLU 20 15.318 -5.683 -2.546 141 1HG GLU 20 2HG GLU 20 14.899 -4.584 -0.585 142 2HG GLU 20 1HG GLU 20 13.599 -3.845 -1.521 143 H ILE 21 H ILE 21 13.022 -3.765 -5.449 144 HA ILE 21 HA ILE 21 15.737 -3.942 -6.560 145 HB ILE 21 HB ILE 21 14.749 -5.895 -7.599 146 1HG1 ILE 21 2HG1 ILE 21 14.515 -3.776 -9.727 147 2HG1 ILE 21 1HG1 ILE 21 16.074 -4.106 -8.971 148 1HG2 ILE 21 1HG2 ILE 21 12.680 -5.792 -8.886 149 2HG2 ILE 21 2HG2 ILE 21 12.530 -4.065 -8.563 150 3HG2 ILE 21 3HG2 ILE 21 12.369 -5.225 -7.245 151 1HD1 ILE 21 1HD1 ILE 21 15.096 -5.469 -11.134 152 2HD1 ILE 21 2HD1 ILE 21 14.588 -6.516 -9.810 153 3HD1 ILE 21 3HD1 ILE 21 16.293 -6.116 -10.013 154 H SER 22 H SER 22 12.416 -2.732 -7.000 155 HA SER 22 HA SER 22 13.587 -0.132 -7.888 156 1HB SER 22 2HB SER 22 11.628 0.101 -9.439 157 2HB SER 22 1HB SER 22 12.696 -1.228 -9.875 158 HG SER 22 HG SER 22 10.093 -1.280 -9.225 159 HA PRO 23 HA PRO 23 10.909 1.696 -4.911 160 1HB PRO 23 2HB PRO 23 10.387 4.110 -6.124 161 2HB PRO 23 1HB PRO 23 11.933 3.709 -5.357 162 1HG PRO 23 2HG PRO 23 11.259 3.855 -8.261 163 2HG PRO 23 1HG PRO 23 12.816 4.110 -7.456 164 1HD PRO 23 2HD PRO 23 12.047 1.775 -8.838 165 2HD PRO 23 1HD PRO 23 13.421 1.913 -7.721 166 H PHE 24 H PHE 24 9.763 1.089 -8.125 167 HA PHE 24 HA PHE 24 6.940 1.449 -7.214 168 1HB PHE 24 2HB PHE 24 8.199 1.831 -9.945 169 2HB PHE 24 1HB PHE 24 6.459 1.635 -9.729 170 HD1 PHE 24 HD1 PHE 24 5.233 3.242 -8.167 171 HD2 PHE 24 HD2 PHE 24 9.244 3.917 -9.548 172 HE1 PHE 24 HE1 PHE 24 5.036 5.640 -7.568 173 HE2 PHE 24 HE2 PHE 24 9.046 6.315 -8.948 174 HZ PHE 24 HZ PHE 24 6.943 7.176 -7.957 175 H ARG 25 H ARG 25 7.306 -0.766 -6.347 176 HA ARG 25 HA ARG 25 7.791 -2.973 -8.166 177 1HB ARG 25 2HB ARG 25 6.559 -3.063 -5.396 178 2HB ARG 25 1HB ARG 25 7.271 -4.413 -6.276 179 1HG ARG 25 2HG ARG 25 9.240 -3.885 -5.316 180 2HG ARG 25 1HG ARG 25 9.250 -2.424 -6.304 181 1HD ARG 25 2HD ARG 25 9.044 -1.181 -4.442 182 2HD ARG 25 1HD ARG 25 7.495 -1.954 -4.103 183 HE ARG 25 HE ARG 25 8.990 -3.795 -3.007 184 1HH1 ARG 25 1HH2 ARG 25 8.607 -0.670 -2.056 185 2HH1 ARG 25 2HH2 ARG 25 10.070 -0.537 -1.140 186 1HH2 ARG 25 2HH1 ARG 25 11.383 -3.536 -2.328 187 2HH2 ARG 25 1HH1 ARG 25 11.650 -2.172 -1.288 188 HA PRO 26 HA PRO 26 3.052 -3.592 -7.885 189 1HB PRO 26 2HB PRO 26 1.547 -1.571 -6.791 190 2HB PRO 26 1HB PRO 26 2.187 -2.934 -5.856 191 1HG PRO 26 2HG PRO 26 3.116 -0.103 -5.926 192 2HG PRO 26 1HG PRO 26 3.267 -1.301 -4.630 193 1HD PRO 26 2HD PRO 26 5.314 -0.529 -6.421 194 2HD PRO 26 1HD PRO 26 5.344 -1.943 -5.347 195 H PHE 27 H PHE 27 3.840 -0.122 -8.225 196 HA PHE 27 HA PHE 27 2.145 0.026 -10.669 197 1HB PHE 27 2HB PHE 27 3.517 2.183 -9.031 198 2HB PHE 27 1HB PHE 27 2.580 2.492 -10.492 199 HD1 PHE 27 HD1 PHE 27 2.444 1.644 -6.941 200 HD2 PHE 27 HD2 PHE 27 0.138 2.012 -10.545 201 HE1 PHE 27 HE1 PHE 27 0.355 1.637 -5.606 202 HE2 PHE 27 HE2 PHE 27 -1.949 2.003 -9.211 203 HZ PHE 27 HZ PHE 27 -1.842 1.815 -6.741 204 H CYS 28 H CYS 28 3.108 1.203 -12.577 205 HA CYS 28 HA CYS 28 5.762 0.111 -13.175 206 1HB CYS 28 2HB CYS 28 4.221 2.030 -14.924 207 2HB CYS 28 1HB CYS 28 5.374 0.791 -15.413 208 H SER 29 H SER 29 4.348 3.403 -12.987 209 HA SER 29 HA SER 29 7.037 4.428 -12.218 210 1HB SER 29 2HB SER 29 5.662 4.943 -14.726 211 2HB SER 29 1HB SER 29 5.910 6.437 -13.830 212 HG SER 29 HG SER 29 7.683 5.751 -15.220 213 H LYS 30 H LYS 30 6.541 7.052 -11.886 214 HA LYS 30 HA LYS 30 4.930 7.176 -9.513 215 1HB LYS 30 2HB LYS 30 6.907 8.711 -10.359 216 2HB LYS 30 1HB LYS 30 5.597 9.646 -11.082 217 1HG LYS 30 2HG LYS 30 4.484 9.484 -8.736 218 2HG LYS 30 1HG LYS 30 6.097 9.048 -8.172 219 1HD LYS 30 2HD LYS 30 6.708 11.212 -8.193 220 2HD LYS 30 1HD LYS 30 6.330 11.314 -9.914 221 1HE LYS 30 2HE LYS 30 3.820 11.330 -8.770 222 2HE LYS 30 1HE LYS 30 4.771 12.238 -7.598 223 1HZ LYS 30 1HZ LYS 30 4.401 13.936 -8.979 224 2HZ LYS 30 2HZ LYS 30 4.018 12.934 -10.296 225 3HZ LYS 30 3HZ LYS 30 5.642 13.264 -9.920 226 H ARG 31 H ARG 31 4.286 8.048 -12.893 227 HA ARG 31 HA ARG 31 1.810 9.418 -12.445 228 1HB ARG 31 2HB ARG 31 3.320 8.401 -14.721 229 2HB ARG 31 1HB ARG 31 1.582 8.202 -14.946 230 1HG ARG 31 2HG ARG 31 1.224 10.436 -15.108 231 2HG ARG 31 1HG ARG 31 2.345 10.802 -13.796 232 1HD ARG 31 2HD ARG 31 3.650 11.637 -15.465 233 2HD ARG 31 1HD ARG 31 4.079 9.946 -15.722 234 HE ARG 31 HE ARG 31 2.069 9.988 -17.385 235 1HH1 ARG 31 1HH2 ARG 31 4.523 10.847 -18.703 236 2HH1 ARG 31 2HH2 ARG 31 4.133 12.421 -19.312 237 1HH2 ARG 31 2HH1 ARG 31 1.362 12.808 -17.243 238 2HH2 ARG 31 1HH1 ARG 31 2.331 13.539 -18.478 239 H CYS 32 H CYS 32 2.533 5.973 -13.059 240 HA CYS 32 HA CYS 32 -0.152 5.051 -13.284 241 1HB CYS 32 2HB CYS 32 2.392 3.731 -12.322 242 2HB CYS 32 1HB CYS 32 0.858 2.862 -12.350 243 H GLN 33 H GLN 33 1.949 5.332 -10.397 244 HA GLN 33 HA GLN 33 -0.054 4.472 -8.512 245 1HB GLN 33 2HB GLN 33 2.460 4.609 -8.112 246 2HB GLN 33 1HB GLN 33 2.254 6.353 -7.949 247 1HG GLN 33 2HG GLN 33 0.601 5.965 -6.132 248 2HG GLN 33 1HG GLN 33 0.893 4.230 -6.262 249 1HE2 GLN 33 1HE2 GLN 33 2.566 7.330 -5.543 250 2HE2 GLN 33 2HE2 GLN 33 3.777 6.626 -4.583 251 H LEU 34 H LEU 34 0.801 7.599 -9.921 252 HA LEU 34 HA LEU 34 -0.705 9.287 -8.176 253 1HB LEU 34 2HB LEU 34 0.973 9.738 -10.263 254 2HB LEU 34 1HB LEU 34 -0.573 10.011 -11.062 255 HG LEU 34 HG LEU 34 -1.188 11.621 -9.257 256 1HD1 LEU 34 1HD1 LEU 34 0.956 12.423 -7.947 257 2HD1 LEU 34 2HD1 LEU 34 1.532 10.787 -8.275 258 3HD1 LEU 34 3HD1 LEU 34 0.046 11.032 -7.358 259 1HD2 LEU 34 1HD2 LEU 34 0.043 12.235 -11.430 260 2HD2 LEU 34 2HD2 LEU 34 1.496 12.357 -10.441 261 3HD2 LEU 34 3HD2 LEU 34 0.120 13.412 -10.119 262 H ILE 35 H ILE 35 -1.630 8.343 -11.521 263 HA ILE 35 HA ILE 35 -4.329 9.087 -11.408 264 HB ILE 35 HB ILE 35 -3.113 6.711 -12.856 265 1HG1 ILE 35 2HG1 ILE 35 -3.870 9.233 -14.240 266 2HG1 ILE 35 1HG1 ILE 35 -2.461 9.322 -13.185 267 1HG2 ILE 35 1HG2 ILE 35 -5.794 8.094 -13.083 268 2HG2 ILE 35 2HG2 ILE 35 -5.471 6.373 -12.870 269 3HG2 ILE 35 3HG2 ILE 35 -5.110 7.154 -14.410 270 1HD1 ILE 35 1HD1 ILE 35 -1.285 8.467 -14.911 271 2HD1 ILE 35 2HD1 ILE 35 -2.750 8.021 -15.784 272 3HD1 ILE 35 3HD1 ILE 35 -2.088 6.936 -14.561 273 H ASP 36 H ASP 36 -2.808 6.213 -10.026 274 HA ASP 36 HA ASP 36 -5.091 4.607 -9.585 275 1HB ASP 36 2HB ASP 36 -2.622 4.051 -9.128 276 2HB ASP 36 1HB ASP 36 -2.844 4.870 -7.583 277 H LEU 37 H LEU 37 -3.773 7.249 -7.556 278 HA LEU 37 HA LEU 37 -5.656 6.991 -5.415 279 1HB LEU 37 2HB LEU 37 -3.769 9.054 -6.379 280 2HB LEU 37 1HB LEU 37 -5.135 9.674 -5.456 281 HG LEU 37 HG LEU 37 -3.813 7.272 -4.329 282 1HD1 LEU 37 1HD1 LEU 37 -1.747 8.217 -4.778 283 2HD1 LEU 37 2HD1 LEU 37 -2.130 9.056 -3.275 284 3HD1 LEU 37 3HD1 LEU 37 -2.390 9.858 -4.824 285 1HD2 LEU 37 1HD2 LEU 37 -5.680 8.554 -3.248 286 2HD2 LEU 37 2HD2 LEU 37 -4.607 9.949 -3.132 287 3HD2 LEU 37 3HD2 LEU 37 -4.232 8.472 -2.245 288 H GLY 38 H GLY 38 -5.659 9.396 -8.084 289 1HA GLY 38 2HA GLY 38 -7.683 9.653 -9.487 290 2HA GLY 38 1HA GLY 38 -8.649 9.232 -8.078 291 H GLU 39 H GLU 39 -5.993 11.401 -7.508 292 HA GLU 39 HA GLU 39 -7.927 13.688 -7.435 293 1HB GLU 39 2HB GLU 39 -5.764 12.838 -5.521 294 2HB GLU 39 1HB GLU 39 -6.241 14.533 -5.615 295 1HG GLU 39 2HG GLU 39 -8.087 14.123 -4.392 296 2HG GLU 39 1HG GLU 39 -8.609 12.892 -5.544 297 H TRP 40 H TRP 40 -6.401 13.022 -9.744 298 HA TRP 40 HA TRP 40 -4.569 15.378 -9.887 299 1HB TRP 40 2HB TRP 40 -3.983 12.861 -11.435 300 2HB TRP 40 1HB TRP 40 -2.881 14.160 -10.971 301 HD1 TRP 40 HD1 TRP 40 -4.229 10.878 -9.836 302 HE1 TRP 40 HE1 TRP 40 -3.314 10.298 -7.505 303 HE3 TRP 40 HE3 TRP 40 -2.107 15.347 -8.562 304 HZ2 TRP 40 HZ2 TRP 40 -1.891 11.535 -5.384 305 HZ3 TRP 40 HZ3 TRP 40 -0.974 15.616 -6.371 306 HH2 TRP 40 HH2 TRP 40 -0.861 13.715 -4.779 307 H ALA 41 H ALA 41 -4.986 16.674 -11.639 308 HA ALA 41 HA ALA 41 -7.166 15.821 -13.462 309 1HB ALA 41 1HB ALA 41 -7.611 17.944 -12.568 310 2HB ALA 41 2HB ALA 41 -6.948 18.316 -14.158 311 3HB ALA 41 3HB ALA 41 -5.934 18.466 -12.724 312 H ALA 42 H ALA 42 -6.998 16.059 -15.753 313 HA ALA 42 HA ALA 42 -4.268 15.594 -16.804 314 1HB ALA 42 1HB ALA 42 -6.122 14.094 -17.508 315 2HB ALA 42 2HB ALA 42 -5.419 14.950 -18.877 316 3HB ALA 42 3HB ALA 42 -6.960 15.482 -18.199 317 H GLU 43 H GLU 43 -7.039 17.747 -17.304 318 HA GLU 43 HA GLU 43 -5.776 19.426 -19.279 319 1HB GLU 43 2HB GLU 43 -8.134 19.816 -17.428 320 2HB GLU 43 1HB GLU 43 -7.634 21.032 -18.605 321 1HG GLU 43 2HG GLU 43 -8.521 19.872 -20.332 322 2HG GLU 43 1HG GLU 43 -7.815 18.354 -19.769 323 H GLU 44 H GLU 44 -6.358 19.845 -15.775 324 HA GLU 44 HA GLU 44 -5.183 22.397 -15.512 325 1HB GLU 44 2HB GLU 44 -5.559 20.119 -13.581 326 2HB GLU 44 1HB GLU 44 -4.721 21.586 -13.086 327 1HG GLU 44 2HG GLU 44 -6.743 22.496 -12.674 328 2HG GLU 44 1HG GLU 44 -7.013 22.509 -14.417 329 H LYS 45 H LYS 45 -3.605 19.199 -15.141 330 HA LYS 45 HA LYS 45 -1.052 20.215 -16.063 331 1HB LYS 45 2HB LYS 45 0.135 19.977 -13.851 332 2HB LYS 45 1HB LYS 45 -1.003 21.330 -13.903 333 1HG LYS 45 2HG LYS 45 -2.735 19.890 -12.852 334 2HG LYS 45 1HG LYS 45 -1.567 18.579 -12.758 335 1HD LYS 45 2HD LYS 45 -0.092 20.249 -11.454 336 2HD LYS 45 1HD LYS 45 -1.578 21.181 -11.245 337 1HE LYS 45 2HE LYS 45 -2.647 19.438 -10.053 338 2HE LYS 45 1HE LYS 45 -1.485 18.229 -10.623 339 1HZ LYS 45 1HZ LYS 45 0.242 19.514 -9.377 340 2HZ LYS 45 2HZ LYS 45 -0.915 18.735 -8.405 341 3HZ LYS 45 3HZ LYS 45 -1.014 20.412 -8.674 342 H ARG 46 H ARG 46 0.360 18.529 -16.488 343 HA ARG 46 HA ARG 46 1.158 16.346 -16.719 344 1HB ARG 46 2HB ARG 46 0.911 16.597 -14.102 345 2HB ARG 46 1HB ARG 46 -0.418 15.461 -14.326 346 1HG ARG 46 2HG ARG 46 1.553 14.311 -15.855 347 2HG ARG 46 1HG ARG 46 2.488 15.018 -14.537 348 1HD ARG 46 2HD ARG 46 1.920 12.922 -13.658 349 2HD ARG 46 1HD ARG 46 0.653 13.956 -13.002 350 HE ARG 46 HE ARG 46 0.203 12.351 -15.486 351 1HH1 ARG 46 2HH1 ARG 46 -0.375 10.802 -13.048 352 2HH1 ARG 46 1HH1 ARG 46 -2.035 11.176 -12.725 353 1HH2 ARG 46 1HH2 ARG 46 -2.067 13.982 -14.782 354 2HH2 ARG 46 2HH2 ARG 46 -3.000 12.986 -13.715 355 H ILE 47 H ILE 47 0.405 15.007 -18.268 356 HA ILE 47 HA ILE 47 -2.512 14.526 -18.463 357 HB ILE 47 HB ILE 47 -0.283 13.746 -20.367 358 1HG1 ILE 47 2HG1 ILE 47 -0.443 16.173 -20.210 359 2HG1 ILE 47 1HG1 ILE 47 -1.157 15.654 -21.734 360 1HG2 ILE 47 1HG2 ILE 47 -2.567 13.863 -21.843 361 2HG2 ILE 47 2HG2 ILE 47 -3.214 13.306 -20.300 362 3HG2 ILE 47 3HG2 ILE 47 -1.950 12.381 -21.113 363 1HD1 ILE 47 1HD1 ILE 47 -3.409 15.797 -20.738 364 2HD1 ILE 47 2HD1 ILE 47 -2.569 17.344 -20.610 365 3HD1 ILE 47 3HD1 ILE 47 -2.700 16.296 -19.202 366 HA PRO 48 HA PRO 48 -1.689 10.545 -16.541 367 1HB PRO 48 2HB PRO 48 -4.347 10.022 -16.047 368 2HB PRO 48 1HB PRO 48 -3.339 11.034 -14.999 369 1HG PRO 48 2HG PRO 48 -5.455 11.854 -16.933 370 2HG PRO 48 1HG PRO 48 -4.895 12.676 -15.466 371 1HD PRO 48 2HD PRO 48 -4.191 13.367 -18.115 372 2HD PRO 48 1HD PRO 48 -3.383 13.934 -16.639 373 H SER 49 H SER 49 -1.372 10.480 -19.225 374 HA SER 49 HA SER 49 -3.024 8.165 -20.082 375 1HB SER 49 2HB SER 49 -3.494 10.730 -21.082 376 2HB SER 49 1HB SER 49 -2.464 9.986 -22.301 377 HG SER 49 HG SER 49 -4.383 9.239 -22.877 378 H SER 50 H SER 50 -1.801 6.656 -21.171 379 HA SER 50 HA SER 50 1.092 7.092 -21.279 380 1HB SER 50 2HB SER 50 -0.733 4.799 -21.410 381 2HB SER 50 1HB SER 50 0.603 4.675 -22.546 382 HG SER 50 HG SER 50 0.583 4.524 -19.818 383 H GLY 51 H GLY 51 -1.322 6.073 -23.750 384 1HA GLY 51 2HA GLY 51 0.392 7.437 -25.796 385 2HA GLY 51 1HA GLY 51 -0.535 5.977 -26.133 386 H ASP 52 H ASP 52 -0.793 9.430 -25.454 387 HA ASP 52 HA ASP 52 -3.660 9.383 -26.285 388 1HB ASP 52 2HB ASP 52 -3.651 11.774 -25.469 389 2HB ASP 52 1HB ASP 52 -3.304 10.587 -24.213 390 H LEU 53 H LEU 53 -4.367 10.941 -27.937 391 HA LEU 53 HA LEU 53 -2.156 11.905 -29.705 392 1HB LEU 53 2HB LEU 53 -4.374 10.062 -30.333 393 2HB LEU 53 1HB LEU 53 -4.173 11.382 -31.486 394 HG LEU 53 HG LEU 53 -1.579 10.370 -30.809 395 1HD1 LEU 53 1HD1 LEU 53 -2.831 8.301 -30.195 396 2HD1 LEU 53 2HD1 LEU 53 -1.790 8.063 -31.601 397 3HD1 LEU 53 3HD1 LEU 53 -3.526 8.273 -31.817 398 1HD2 LEU 53 1HD2 LEU 53 -3.322 10.741 -33.203 399 2HD2 LEU 53 2HD2 LEU 53 -1.947 9.653 -33.378 400 3HD2 LEU 53 3HD2 LEU 53 -1.688 11.331 -32.901 401 H SER 54 H SER 54 -2.562 13.973 -28.624 402 HA SER 54 HA SER 54 -5.090 15.298 -29.517 403 1HB SER 54 2HB SER 54 -3.721 15.326 -27.010 404 2HB SER 54 1HB SER 54 -3.589 16.939 -27.704 405 HG SER 54 HG SER 54 -5.592 16.153 -26.427 406 H GLU 55 H GLU 55 -1.604 15.960 -29.047 407 HA GLU 55 HA GLU 55 -1.658 18.223 -30.888 408 1HB GLU 55 2HB GLU 55 0.480 16.763 -29.356 409 2HB GLU 55 1HB GLU 55 0.928 17.890 -30.636 410 1HG GLU 55 2HG GLU 55 0.499 19.661 -29.314 411 2HG GLU 55 1HG GLU 55 -1.117 19.053 -28.950 412 H SER 56 H SER 56 -1.790 17.902 -33.048 413 HA SER 56 HA SER 56 -1.331 17.062 -35.181 414 1HB SER 56 2HB SER 56 1.052 16.710 -33.731 415 2HB SER 56 1HB SER 56 0.762 15.158 -34.510 416 HG SER 56 HG SER 56 1.929 16.749 -35.784 417 H ASP 57 H ASP 57 -1.222 14.886 -36.397 418 HA ASP 57 HA ASP 57 -3.065 12.988 -35.032 419 1HB ASP 57 2HB ASP 57 -3.212 14.177 -37.520 420 2HB ASP 57 1HB ASP 57 -2.559 12.585 -37.906 421 H ASP 58 H ASP 58 0.222 13.246 -36.006 422 HA ASP 58 HA ASP 58 0.515 10.271 -35.820 423 1HB ASP 58 2HB ASP 58 2.385 10.399 -37.354 424 2HB ASP 58 1HB ASP 58 1.028 11.255 -38.086 425 H TRP 59 H TRP 59 0.604 12.389 -33.673 426 HA TRP 59 HA TRP 59 3.465 12.297 -32.891 427 1HB TRP 59 2HB TRP 59 1.386 14.186 -32.536 428 2HB TRP 59 1HB TRP 59 1.774 13.558 -30.934 429 HD1 TRP 59 HD1 TRP 59 3.484 15.169 -33.984 430 HE1 TRP 59 HE1 TRP 59 5.640 16.332 -33.181 431 HE3 TRP 59 HE3 TRP 59 3.494 13.731 -29.086 432 HZ2 TRP 59 HZ2 TRP 59 7.166 16.616 -30.773 433 HZ3 TRP 59 HZ3 TRP 59 5.307 14.458 -27.562 434 HH2 TRP 59 HH2 TRP 59 7.142 15.898 -28.399 435 H SER 60 H SER 60 4.187 10.902 -31.356 436 HA SER 60 HA SER 60 2.483 8.820 -30.318 437 1HB SER 60 2HB SER 60 5.315 9.479 -30.298 438 2HB SER 60 1HB SER 60 4.791 8.917 -28.712 439 HG SER 60 HG SER 60 5.384 7.189 -30.079 440 H GLU 61 H GLU 61 3.888 11.770 -28.906 441 HA GLU 61 HA GLU 61 3.424 12.910 -26.922 442 1HB GLU 61 2HB GLU 61 0.865 11.970 -27.983 443 2HB GLU 61 1HB GLU 61 0.829 12.162 -26.228 444 1HG GLU 61 2HG GLU 61 1.251 14.439 -26.325 445 2HG GLU 61 1HG GLU 61 2.115 14.319 -27.857 446 H GLU 62 H GLU 62 4.880 11.773 -25.611 447 HA GLU 62 HA GLU 62 5.504 10.486 -23.755 448 1HB GLU 62 2HB GLU 62 2.489 10.171 -23.492 449 2HB GLU 62 1HB GLU 62 3.646 9.545 -22.321 450 1HG GLU 62 2HG GLU 62 3.436 11.568 -21.316 451 2HG GLU 62 1HG GLU 62 4.490 12.148 -22.605 452 HA PRO 63 HA PRO 63 5.103 6.868 -26.574 453 1HB PRO 63 2HB PRO 63 7.822 6.466 -26.788 454 2HB PRO 63 1HB PRO 63 6.893 7.539 -27.851 455 1HG PRO 63 2HG PRO 63 8.714 8.251 -25.592 456 2HG PRO 63 1HG PRO 63 8.333 9.169 -27.058 457 1HD PRO 63 2HD PRO 63 7.256 9.673 -24.511 458 2HD PRO 63 1HD PRO 63 6.582 10.261 -26.048 459 H LYS 64 H LYS 64 4.230 5.628 -24.874 460 HA LYS 64 HA LYS 64 6.227 4.114 -23.245 461 1HB LYS 64 2HB LYS 64 3.816 5.631 -22.351 462 2HB LYS 64 1HB LYS 64 4.122 4.077 -21.574 463 1HG LYS 64 2HG LYS 64 5.592 5.153 -20.242 464 2HG LYS 64 1HG LYS 64 6.630 5.315 -21.658 465 1HD LYS 64 2HD LYS 64 5.799 7.477 -22.160 466 2HD LYS 64 1HD LYS 64 4.411 7.279 -21.088 467 1HE LYS 64 2HE LYS 64 5.820 7.354 -19.127 468 2HE LYS 64 1HE LYS 64 7.283 7.312 -20.114 469 1HZ LYS 64 1HZ LYS 64 5.250 9.478 -20.193 470 2HZ LYS 64 2HZ LYS 64 6.729 9.446 -21.032 471 3HZ LYS 64 3HZ LYS 64 6.711 9.553 -19.336 472 H GLN 65 HN GLN 65 6.019 1.971 -23.640 473 HA GLN 65 HA GLN 65 3.396 0.976 -24.683 474 1HB GLN 65 2HB GLN 65 6.246 0.258 -25.341 475 2HB GLN 65 1HB GLN 65 4.961 -0.927 -25.587 476 1HG GLN 65 2HG GLN 65 4.759 0.089 -27.622 477 2HG GLN 65 1HG GLN 65 3.830 1.284 -26.716 478 1HE2 GLN 65 1HE2 GLN 65 4.690 3.399 -26.561 479 2HE2 GLN 65 2HE2 GLN 65 6.221 3.844 -27.144 Start of MODEL 4 1 H MET 1 1H MET 1 17.004 -14.967 -3.310 2 HA MET 1 HA MET 1 17.416 -13.168 -2.097 3 1HB MET 1 2HB MET 1 19.505 -12.942 -3.661 4 2HB MET 1 1HB MET 1 18.582 -11.652 -4.443 5 1HG MET 1 2HG MET 1 18.249 -10.660 -2.115 6 2HG MET 1 1HG MET 1 19.459 -11.806 -1.550 7 1HE MET 1 1HE MET 1 19.013 -8.197 -3.317 8 2HE MET 1 2HE MET 1 20.359 -7.823 -2.240 9 3HE MET 1 3HE MET 1 18.977 -8.724 -1.625 10 H SER 2 H SER 2 16.013 -11.529 -1.504 11 HA SER 2 HA SER 2 14.088 -10.200 -1.616 12 1HB SER 2 2HB SER 2 15.563 -9.461 -4.139 13 2HB SER 2 1HB SER 2 14.000 -8.732 -3.760 14 HG SER 2 HG SER 2 16.479 -8.436 -2.545 15 H GLU 3 H GLU 3 12.687 -12.021 -1.683 16 HA GLU 3 HA GLU 3 11.847 -13.675 -3.673 17 1HB GLU 3 2HB GLU 3 10.403 -12.293 -1.465 18 2HB GLU 3 1HB GLU 3 9.418 -13.106 -2.685 19 1HG GLU 3 2HG GLU 3 9.819 -14.837 -1.151 20 2HG GLU 3 1HG GLU 3 11.098 -15.086 -2.339 21 H THR 4 H THR 4 11.701 -13.131 -5.773 22 HA THR 4 HA THR 4 10.887 -10.594 -6.776 23 HB THR 4 HB THR 4 10.674 -13.104 -8.420 24 HG1 THR 4 HG1 THR 4 13.046 -11.856 -7.476 25 1HG2 THR 4 1HG2 THR 4 11.915 -11.527 -10.018 26 2HG2 THR 4 2HG2 THR 4 11.542 -10.245 -8.864 27 3HG2 THR 4 3HG2 THR 4 10.236 -11.132 -9.654 28 H ILE 5 H ILE 5 8.866 -9.949 -6.028 29 HA ILE 5 HA ILE 5 6.533 -11.680 -6.704 30 HB ILE 5 HB ILE 5 5.230 -10.009 -5.318 31 1HG1 ILE 5 2HG1 ILE 5 7.591 -9.039 -3.896 32 2HG1 ILE 5 1HG1 ILE 5 7.553 -8.472 -5.566 33 1HG2 ILE 5 1HG2 ILE 5 7.430 -11.734 -4.237 34 2HG2 ILE 5 2HG2 ILE 5 5.681 -11.936 -4.112 35 3HG2 ILE 5 3HG2 ILE 5 6.504 -10.734 -3.118 36 1HD1 ILE 5 1HD1 ILE 5 6.228 -6.844 -4.621 37 2HD1 ILE 5 2HD1 ILE 5 5.667 -7.905 -3.327 38 3HD1 ILE 5 3HD1 ILE 5 4.979 -8.047 -4.946 39 H THR 6 H THR 6 5.419 -11.191 -8.541 40 HA THR 6 HA THR 6 6.078 -8.693 -9.964 41 HB THR 6 HB THR 6 4.627 -9.701 -11.780 42 HG1 THR 6 HG1 THR 6 3.420 -11.284 -11.169 43 1HG2 THR 6 1HG2 THR 6 6.494 -10.703 -12.569 44 2HG2 THR 6 2HG2 THR 6 6.546 -11.850 -11.227 45 3HG2 THR 6 3HG2 THR 6 7.233 -10.234 -11.037 46 H VAL 7 H VAL 7 4.900 -6.904 -9.744 47 HA VAL 7 HA VAL 7 2.059 -7.140 -8.836 48 HB VAL 7 HB VAL 7 3.896 -4.735 -8.595 49 1HG1 VAL 7 1HG1 VAL 7 1.539 -4.146 -8.571 50 2HG1 VAL 7 2HG1 VAL 7 2.162 -4.029 -6.924 51 3HG1 VAL 7 3HG1 VAL 7 1.193 -5.424 -7.404 52 1HG2 VAL 7 1HG2 VAL 7 4.764 -6.590 -7.230 53 2HG2 VAL 7 2HG2 VAL 7 3.167 -6.830 -6.520 54 3HG2 VAL 7 3HG2 VAL 7 4.063 -5.345 -6.195 55 H ASN 8 H ASN 8 0.690 -6.842 -10.538 56 HA ASN 8 HA ASN 8 1.580 -5.457 -12.959 57 1HB ASN 8 2HB ASN 8 -0.590 -6.083 -13.886 58 2HB ASN 8 1HB ASN 8 0.120 -7.473 -13.065 59 1HD2 ASN 8 1HD2 ASN 8 -2.559 -5.208 -13.026 60 2HD2 ASN 8 2HD2 ASN 8 -3.369 -5.890 -11.698 61 H CYS 9 H CYS 9 0.800 -3.501 -13.758 62 HA CYS 9 HA CYS 9 -0.058 -1.546 -11.785 63 1HB CYS 9 2HB CYS 9 1.431 -1.155 -13.862 64 2HB CYS 9 1HB CYS 9 -0.076 -1.131 -14.776 65 HA PRO 10 HA PRO 10 -4.376 -2.436 -12.479 66 1HB PRO 10 2HB PRO 10 -5.274 -0.738 -10.510 67 2HB PRO 10 1HB PRO 10 -4.646 -2.365 -10.199 68 1HG PRO 10 2HG PRO 10 -3.349 0.270 -9.709 69 2HG PRO 10 1HG PRO 10 -3.077 -1.279 -8.898 70 1HD PRO 10 2HD PRO 10 -1.421 -0.121 -10.884 71 2HD PRO 10 1HD PRO 10 -1.335 -1.793 -10.291 72 H THR 11 H THR 11 -2.707 0.512 -13.043 73 HA THR 11 HA THR 11 -5.143 1.984 -13.864 74 HB THR 11 HB THR 11 -2.215 2.760 -13.738 75 HG1 THR 11 HG1 THR 11 -2.780 3.544 -11.888 76 1HG2 THR 11 1HG2 THR 11 -4.369 3.908 -15.311 77 2HG2 THR 11 2HG2 THR 11 -2.661 4.344 -15.275 78 3HG2 THR 11 3HG2 THR 11 -3.778 5.062 -14.113 79 H CYS 12 H CYS 12 -1.997 1.104 -15.387 80 HA CYS 12 HA CYS 12 -3.303 1.350 -18.046 81 1HB CYS 12 2HB CYS 12 -1.045 1.318 -18.968 82 2HB CYS 12 1HB CYS 12 -1.135 2.506 -17.669 83 H GLY 13 H GLY 13 -1.807 -1.075 -15.945 84 1HA GLY 13 2HA GLY 13 -2.382 -3.421 -16.084 85 2HA GLY 13 1HA GLY 13 -2.845 -3.181 -17.770 86 H LYS 14 H LYS 14 0.036 -2.993 -15.665 87 HA LYS 14 HA LYS 14 1.602 -4.342 -17.810 88 1HB LYS 14 2HB LYS 14 1.855 -1.750 -17.755 89 2HB LYS 14 1HB LYS 14 2.774 -2.026 -16.276 90 1HG LYS 14 2HG LYS 14 3.934 -3.874 -17.874 91 2HG LYS 14 1HG LYS 14 3.471 -2.680 -19.088 92 1HD LYS 14 2HD LYS 14 5.044 -1.210 -18.393 93 2HD LYS 14 1HD LYS 14 4.642 -1.462 -16.694 94 1HE LYS 14 2HE LYS 14 5.898 -3.648 -16.807 95 2HE LYS 14 1HE LYS 14 6.433 -3.189 -18.424 96 1HZ LYS 14 1HZ LYS 14 7.948 -2.628 -16.477 97 2HZ LYS 14 2HZ LYS 14 6.832 -1.400 -16.100 98 3HZ LYS 14 3HZ LYS 14 7.638 -1.394 -17.598 99 H THR 15 H THR 15 2.423 -6.146 -16.868 100 HA THR 15 HA THR 15 2.570 -6.499 -14.006 101 HB THR 15 HB THR 15 4.029 -8.181 -16.056 102 HG1 THR 15 HG1 THR 15 2.180 -8.905 -16.720 103 1HG2 THR 15 1HG2 THR 15 3.495 -9.974 -14.404 104 2HG2 THR 15 2HG2 THR 15 2.792 -8.748 -13.348 105 3HG2 THR 15 3HG2 THR 15 4.515 -8.704 -13.726 106 H VAL 16 H VAL 16 3.992 -5.278 -12.860 107 HA VAL 16 HA VAL 16 6.749 -4.903 -13.939 108 HB VAL 16 HB VAL 16 5.279 -3.429 -11.726 109 1HG1 VAL 16 1HG1 VAL 16 8.098 -3.277 -12.785 110 2HG1 VAL 16 2HG1 VAL 16 7.542 -3.266 -11.112 111 3HG1 VAL 16 3HG1 VAL 16 7.322 -1.839 -12.123 112 1HG2 VAL 16 1HG2 VAL 16 6.228 -1.994 -14.122 113 2HG2 VAL 16 2HG2 VAL 16 4.678 -1.888 -13.286 114 3HG2 VAL 16 3HG2 VAL 16 4.966 -3.182 -14.448 115 H VAL 17 H VAL 17 7.965 -6.598 -13.271 116 HA VAL 17 HA VAL 17 7.536 -8.111 -10.881 117 HB VAL 17 HB VAL 17 8.777 -9.028 -12.784 118 1HG1 VAL 17 1HG1 VAL 17 11.188 -7.386 -12.137 119 2HG1 VAL 17 2HG1 VAL 17 9.916 -6.643 -13.105 120 3HG1 VAL 17 3HG1 VAL 17 10.704 -8.116 -13.668 121 1HG2 VAL 17 1HG2 VAL 17 10.468 -10.148 -11.563 122 2HG2 VAL 17 2HG2 VAL 17 9.266 -9.706 -10.351 123 3HG2 VAL 17 3HG2 VAL 17 10.746 -8.759 -10.513 124 H TRP 18 H TRP 18 7.755 -7.323 -8.858 125 HA TRP 18 HA TRP 18 9.503 -5.015 -8.322 126 1HB TRP 18 2HB TRP 18 7.183 -5.280 -7.337 127 2HB TRP 18 1HB TRP 18 7.830 -6.587 -6.346 128 HD1 TRP 18 HD1 TRP 18 8.099 -5.634 -4.004 129 HE1 TRP 18 HE1 TRP 18 9.195 -3.533 -2.989 130 HE3 TRP 18 HE3 TRP 18 9.366 -3.137 -8.279 131 HZ2 TRP 18 HZ2 TRP 18 10.442 -1.121 -3.870 132 HZ3 TRP 18 HZ3 TRP 18 10.507 -0.942 -8.159 133 HH2 TRP 18 HH2 TRP 18 11.044 0.071 -5.961 134 H GLY 19 H GLY 19 11.287 -5.042 -6.909 135 1HA GLY 19 2HA GLY 19 12.424 -6.618 -5.146 136 2HA GLY 19 1HA GLY 19 12.528 -7.724 -6.519 137 H GLU 20 H GLU 20 13.889 -7.146 -8.312 138 HA GLU 20 HA GLU 20 15.470 -4.696 -8.265 139 1HB GLU 20 2HB GLU 20 17.650 -5.727 -7.876 140 2HB GLU 20 1HB GLU 20 16.598 -6.066 -6.503 141 1HG GLU 20 2HG GLU 20 16.392 -8.085 -8.625 142 2HG GLU 20 1HG GLU 20 18.013 -7.966 -7.942 143 H ILE 21 H ILE 21 13.755 -6.093 -10.165 144 HA ILE 21 HA ILE 21 15.751 -6.761 -12.289 145 HB ILE 21 HB ILE 21 12.921 -7.767 -11.884 146 1HG1 ILE 21 2HG1 ILE 21 14.748 -9.865 -12.294 147 2HG1 ILE 21 1HG1 ILE 21 15.583 -8.740 -11.224 148 1HG2 ILE 21 1HG2 ILE 21 14.760 -7.842 -14.257 149 2HG2 ILE 21 2HG2 ILE 21 13.012 -7.606 -14.208 150 3HG2 ILE 21 3HG2 ILE 21 13.693 -9.213 -13.951 151 1HD1 ILE 21 1HD1 ILE 21 14.393 -9.642 -9.533 152 2HD1 ILE 21 2HD1 ILE 21 13.337 -10.504 -10.653 153 3HD1 ILE 21 3HD1 ILE 21 12.981 -8.832 -10.214 154 H SER 22 H SER 22 12.418 -5.498 -11.927 155 HA SER 22 HA SER 22 12.924 -3.757 -14.295 156 1HB SER 22 2HB SER 22 10.769 -5.366 -13.729 157 2HB SER 22 1HB SER 22 10.204 -3.797 -13.166 158 HG SER 22 HG SER 22 9.992 -4.474 -15.524 159 HA PRO 23 HA PRO 23 13.208 -0.494 -11.233 160 1HB PRO 23 2HB PRO 23 14.170 1.373 -13.010 161 2HB PRO 23 1HB PRO 23 15.183 0.132 -12.253 162 1HG PRO 23 2HG PRO 23 14.178 0.279 -15.053 163 2HG PRO 23 1HG PRO 23 15.613 -0.540 -14.418 164 1HD PRO 23 2HD PRO 23 13.148 -1.770 -15.107 165 2HD PRO 23 1HD PRO 23 14.488 -2.522 -14.217 166 H PHE 24 H PHE 24 10.613 -1.056 -12.250 167 HA PHE 24 HA PHE 24 9.612 1.650 -13.040 168 1HB PHE 24 2HB PHE 24 8.718 -1.128 -13.791 169 2HB PHE 24 1HB PHE 24 7.578 0.215 -13.843 170 HD1 PHE 24 HD1 PHE 24 8.002 2.169 -15.333 171 HD2 PHE 24 HD2 PHE 24 10.502 -1.322 -15.400 172 HE1 PHE 24 HE1 PHE 24 8.926 2.874 -17.522 173 HE2 PHE 24 HE2 PHE 24 11.427 -0.616 -17.590 174 HZ PHE 24 HZ PHE 24 10.639 1.482 -18.651 175 H ARG 25 H ARG 25 10.108 0.394 -10.304 176 HA ARG 25 HA ARG 25 9.080 0.418 -8.222 177 1HB ARG 25 2HB ARG 25 7.476 2.279 -9.873 178 2HB ARG 25 1HB ARG 25 6.679 1.692 -8.415 179 1HG ARG 25 2HG ARG 25 8.335 2.582 -6.998 180 2HG ARG 25 1HG ARG 25 9.515 2.699 -8.303 181 1HD ARG 25 2HD ARG 25 8.878 4.918 -8.160 182 2HD ARG 25 1HD ARG 25 7.692 4.344 -9.332 183 HE ARG 25 HE ARG 25 7.132 5.154 -6.574 184 1HH1 ARG 25 1HH2 ARG 25 5.585 5.257 -9.349 185 2HH1 ARG 25 2HH2 ARG 25 4.177 4.352 -8.911 186 1HH2 ARG 25 2HH1 ARG 25 5.557 3.130 -5.965 187 2HH2 ARG 25 1HH1 ARG 25 4.157 3.151 -6.985 188 HA PRO 26 HA PRO 26 6.230 -2.878 -7.910 189 1HB PRO 26 2HB PRO 26 4.492 -2.132 -5.906 190 2HB PRO 26 1HB PRO 26 6.157 -2.673 -5.628 191 1HG PRO 26 2HG PRO 26 5.039 0.098 -5.543 192 2HG PRO 26 1HG PRO 26 6.405 -0.590 -4.647 193 1HD PRO 26 2HD PRO 26 6.631 1.067 -6.894 194 2HD PRO 26 1HD PRO 26 7.915 0.008 -6.277 195 H PHE 27 H PHE 27 4.865 0.249 -8.635 196 HA PHE 27 HA PHE 27 2.248 -0.911 -9.388 197 1HB PHE 27 2HB PHE 27 3.322 1.838 -9.007 198 2HB PHE 27 1HB PHE 27 2.049 1.639 -10.212 199 HD1 PHE 27 HD1 PHE 27 -0.212 1.300 -9.571 200 HD2 PHE 27 HD2 PHE 27 2.919 0.986 -6.646 201 HE1 PHE 27 HE1 PHE 27 -1.908 1.192 -7.765 202 HE2 PHE 27 HE2 PHE 27 1.221 0.881 -4.841 203 HZ PHE 27 HZ PHE 27 -1.192 0.983 -5.401 204 H CYS 28 H CYS 28 4.455 1.334 -11.044 205 HA CYS 28 HA CYS 28 5.240 -0.192 -13.232 206 1HB CYS 28 2HB CYS 28 3.255 -0.689 -14.236 207 2HB CYS 28 1HB CYS 28 2.396 0.578 -13.369 208 H SER 29 H SER 29 3.817 2.939 -12.355 209 HA SER 29 HA SER 29 6.241 4.321 -13.291 210 1HB SER 29 2HB SER 29 4.073 4.060 -15.072 211 2HB SER 29 1HB SER 29 3.953 5.698 -14.435 212 HG SER 29 HG SER 29 5.460 5.049 -16.339 213 H LYS 30 H LYS 30 6.211 6.627 -12.620 214 HA LYS 30 HA LYS 30 5.128 6.999 -9.998 215 1HB LYS 30 2HB LYS 30 7.058 8.258 -11.420 216 2HB LYS 30 1HB LYS 30 5.751 9.426 -11.597 217 1HG LYS 30 2HG LYS 30 5.881 8.473 -8.864 218 2HG LYS 30 1HG LYS 30 7.446 9.111 -9.367 219 1HD LYS 30 2HD LYS 30 6.610 11.248 -9.742 220 2HD LYS 30 1HD LYS 30 4.968 10.670 -10.035 221 1HE LYS 30 2HE LYS 30 5.022 9.941 -7.534 222 2HE LYS 30 1HE LYS 30 6.394 11.040 -7.403 223 1HZ LYS 30 1HZ LYS 30 4.895 12.747 -8.480 224 2HZ LYS 30 2HZ LYS 30 4.514 12.311 -6.886 225 3HZ LYS 30 3HZ LYS 30 3.610 11.680 -8.180 226 H ARG 31 H ARG 31 3.988 8.060 -13.196 227 HA ARG 31 HA ARG 31 1.778 9.627 -12.140 228 1HB ARG 31 2HB ARG 31 2.676 8.711 -14.844 229 2HB ARG 31 1HB ARG 31 1.004 9.244 -14.657 230 1HG ARG 31 2HG ARG 31 1.607 11.422 -14.147 231 2HG ARG 31 1HG ARG 31 3.167 10.944 -13.480 232 1HD ARG 31 2HD ARG 31 3.022 10.237 -16.284 233 2HD ARG 31 1HD ARG 31 2.669 11.951 -16.064 234 HE ARG 31 HE ARG 31 4.915 12.275 -15.393 235 1HH1 ARG 31 2HH1 ARG 31 5.601 9.934 -17.167 236 2HH1 ARG 31 1HH1 ARG 31 6.517 8.929 -16.095 237 1HH2 ARG 31 1HH2 ARG 31 5.431 10.548 -13.218 238 2HH2 ARG 31 2HH2 ARG 31 6.420 9.276 -13.856 239 H CYS 32 H CYS 32 2.134 6.300 -13.373 240 HA CYS 32 HA CYS 32 -0.633 5.622 -13.460 241 1HB CYS 32 2HB CYS 32 1.910 4.057 -13.190 242 2HB CYS 32 1HB CYS 32 0.376 3.236 -12.899 243 H GLN 33 H GLN 33 1.744 5.192 -10.807 244 HA GLN 33 HA GLN 33 -0.146 4.148 -8.908 245 1HB GLN 33 2HB GLN 33 2.338 3.985 -8.666 246 2HB GLN 33 1HB GLN 33 2.392 5.720 -8.353 247 1HG GLN 33 2HG GLN 33 0.401 4.594 -6.642 248 2HG GLN 33 1HG GLN 33 1.852 3.602 -6.503 249 1HE2 GLN 33 1HE2 GLN 33 0.544 6.847 -5.950 250 2HE2 GLN 33 2HE2 GLN 33 1.878 7.425 -5.072 251 H LEU 34 H LEU 34 0.735 7.423 -9.886 252 HA LEU 34 HA LEU 34 -0.469 8.839 -7.705 253 1HB LEU 34 2HB LEU 34 1.032 9.615 -9.803 254 2HB LEU 34 1HB LEU 34 -0.556 10.018 -10.451 255 HG LEU 34 HG LEU 34 -1.029 11.336 -8.384 256 1HD1 LEU 34 1HD1 LEU 34 1.907 10.869 -7.775 257 2HD1 LEU 34 2HD1 LEU 34 0.586 10.053 -6.938 258 3HD1 LEU 34 3HD1 LEU 34 0.762 11.803 -6.811 259 1HD2 LEU 34 1HD2 LEU 34 0.340 13.225 -9.000 260 2HD2 LEU 34 2HD2 LEU 34 -0.019 12.331 -10.477 261 3HD2 LEU 34 3HD2 LEU 34 1.564 12.173 -9.713 262 H ILE 35 H ILE 35 -1.765 8.523 -11.039 263 HA ILE 35 HA ILE 35 -4.404 9.317 -10.517 264 HB ILE 35 HB ILE 35 -3.459 7.195 -12.474 265 1HG1 ILE 35 2HG1 ILE 35 -4.147 9.999 -13.252 266 2HG1 ILE 35 1HG1 ILE 35 -2.610 9.740 -12.428 267 1HG2 ILE 35 1HG2 ILE 35 -5.847 8.903 -12.992 268 2HG2 ILE 35 2HG2 ILE 35 -6.042 7.603 -11.816 269 3HG2 ILE 35 3HG2 ILE 35 -5.536 7.232 -13.463 270 1HD1 ILE 35 1HD1 ILE 35 -1.872 9.324 -14.552 271 2HD1 ILE 35 2HD1 ILE 35 -3.477 8.875 -15.131 272 3HD1 ILE 35 3HD1 ILE 35 -2.511 7.714 -14.219 273 H ASP 36 H ASP 36 -2.876 6.209 -9.827 274 HA ASP 36 HA ASP 36 -5.105 4.550 -9.445 275 1HB ASP 36 2HB ASP 36 -2.332 4.592 -8.572 276 2HB ASP 36 1HB ASP 36 -3.381 3.935 -7.316 277 H LEU 37 H LEU 37 -3.686 6.870 -7.109 278 HA LEU 37 HA LEU 37 -5.550 6.288 -4.989 279 1HB LEU 37 2HB LEU 37 -3.742 8.617 -5.617 280 2HB LEU 37 1HB LEU 37 -4.883 8.715 -4.279 281 HG LEU 37 HG LEU 37 -3.217 6.251 -4.448 282 1HD1 LEU 37 1HD1 LEU 37 -2.096 8.956 -4.327 283 2HD1 LEU 37 2HD1 LEU 37 -1.278 7.412 -4.567 284 3HD1 LEU 37 3HD1 LEU 37 -1.644 7.971 -2.935 285 1HD2 LEU 37 1HD2 LEU 37 -4.152 8.094 -2.221 286 2HD2 LEU 37 2HD2 LEU 37 -3.216 6.619 -1.966 287 3HD2 LEU 37 3HD2 LEU 37 -4.841 6.525 -2.648 288 H GLY 38 H GLY 38 -5.420 9.074 -7.252 289 1HA GLY 38 2HA GLY 38 -7.410 9.752 -8.520 290 2HA GLY 38 1HA GLY 38 -8.408 9.115 -7.217 291 H GLU 39 H GLU 39 -5.579 11.057 -6.470 292 HA GLU 39 HA GLU 39 -7.386 13.344 -5.777 293 1HB GLU 39 2HB GLU 39 -5.092 12.119 -4.229 294 2HB GLU 39 1HB GLU 39 -5.645 13.764 -3.917 295 1HG GLU 39 2HG GLU 39 -7.098 12.764 -2.477 296 2HG GLU 39 1HG GLU 39 -8.021 12.407 -3.935 297 H TRP 40 H TRP 40 -6.108 13.121 -8.268 298 HA TRP 40 HA TRP 40 -4.145 15.357 -8.124 299 1HB TRP 40 2HB TRP 40 -3.735 13.122 -10.091 300 2HB TRP 40 1HB TRP 40 -2.556 14.268 -9.453 301 HD1 TRP 40 HD1 TRP 40 -4.047 10.901 -8.852 302 HE1 TRP 40 HE1 TRP 40 -3.056 9.862 -6.717 303 HE3 TRP 40 HE3 TRP 40 -1.595 14.949 -6.943 304 HZ2 TRP 40 HZ2 TRP 40 -1.449 10.626 -4.501 305 HZ3 TRP 40 HZ3 TRP 40 -0.337 14.765 -4.812 306 HH2 TRP 40 HH2 TRP 40 -0.261 12.608 -3.588 307 H ALA 41 H ALA 41 -5.846 13.286 -10.489 308 HA ALA 41 HA ALA 41 -6.559 15.753 -12.027 309 1HB ALA 41 1HB ALA 41 -5.208 14.166 -13.318 310 2HB ALA 41 2HB ALA 41 -6.849 14.208 -13.964 311 3HB ALA 41 3HB ALA 41 -6.338 12.866 -12.940 312 H ALA 42 H ALA 42 -8.662 16.344 -11.835 313 HA ALA 42 HA ALA 42 -10.698 14.206 -11.335 314 1HB ALA 42 1HB ALA 42 -10.110 15.903 -9.422 315 2HB ALA 42 2HB ALA 42 -11.804 15.549 -9.769 316 3HB ALA 42 3HB ALA 42 -11.071 17.034 -10.377 317 H GLU 43 H GLU 43 -10.731 14.275 -13.782 318 HA GLU 43 HA GLU 43 -12.122 16.656 -14.898 319 1HB GLU 43 2HB GLU 43 -10.724 14.282 -16.138 320 2HB GLU 43 1HB GLU 43 -11.754 15.350 -17.092 321 1HG GLU 43 2HG GLU 43 -9.812 16.527 -17.365 322 2HG GLU 43 1HG GLU 43 -10.246 17.192 -15.790 323 H GLU 44 H GLU 44 -12.463 13.085 -14.924 324 HA GLU 44 HA GLU 44 -15.384 13.392 -14.650 325 1HB GLU 44 2HB GLU 44 -14.547 13.326 -17.179 326 2HB GLU 44 1HB GLU 44 -14.471 11.593 -16.869 327 1HG GLU 44 2HG GLU 44 -16.667 11.935 -17.682 328 2HG GLU 44 1HG GLU 44 -16.867 11.846 -15.934 329 H LYS 45 H LYS 45 -14.144 12.503 -12.612 330 HA LYS 45 HA LYS 45 -13.836 9.538 -12.754 331 1HB LYS 45 2HB LYS 45 -12.821 11.679 -10.899 332 2HB LYS 45 1HB LYS 45 -12.954 10.023 -10.313 333 1HG LYS 45 2HG LYS 45 -11.501 9.230 -12.121 334 2HG LYS 45 1HG LYS 45 -11.430 10.855 -12.806 335 1HD LYS 45 2HD LYS 45 -10.092 11.674 -11.076 336 2HD LYS 45 1HD LYS 45 -10.622 10.435 -9.941 337 1HE LYS 45 2HE LYS 45 -8.917 9.080 -10.521 338 2HE LYS 45 1HE LYS 45 -9.310 9.221 -12.233 339 1HZ LYS 45 1HZ LYS 45 -8.036 11.533 -10.985 340 2HZ LYS 45 2HZ LYS 45 -7.819 10.872 -12.536 341 3HZ LYS 45 3HZ LYS 45 -7.067 10.155 -11.191 342 H ARG 46 H ARG 46 -15.755 8.525 -12.333 343 HA ARG 46 HA ARG 46 -17.737 7.893 -11.269 344 1HB ARG 46 2HB ARG 46 -15.966 8.768 -9.174 345 2HB ARG 46 1HB ARG 46 -17.618 9.233 -8.768 346 1HG ARG 46 2HG ARG 46 -18.036 6.710 -9.705 347 2HG ARG 46 1HG ARG 46 -16.421 6.532 -9.019 348 1HD ARG 46 2HD ARG 46 -17.138 7.004 -6.858 349 2HD ARG 46 1HD ARG 46 -18.537 7.928 -7.409 350 HE ARG 46 HE ARG 46 -18.379 4.971 -7.223 351 1HH1 ARG 46 1HH2 ARG 46 -20.494 6.662 -5.885 352 2HH1 ARG 46 2HH2 ARG 46 -21.853 6.441 -6.936 353 1HH2 ARG 46 2HH1 ARG 46 -19.952 5.140 -9.541 354 2HH2 ARG 46 1HH1 ARG 46 -21.545 5.553 -9.002 355 H ILE 47 H ILE 47 -17.450 10.675 -12.633 356 HA ILE 47 HA ILE 47 -20.053 11.711 -11.596 357 HB ILE 47 HB ILE 47 -19.129 14.039 -12.203 358 1HG1 ILE 47 2HG1 ILE 47 -16.437 12.800 -11.679 359 2HG1 ILE 47 1HG1 ILE 47 -17.079 12.819 -13.321 360 1HG2 ILE 47 1HG2 ILE 47 -18.196 12.395 -9.848 361 2HG2 ILE 47 2HG2 ILE 47 -19.499 13.582 -9.910 362 3HG2 ILE 47 3HG2 ILE 47 -17.819 14.114 -9.982 363 1HD1 ILE 47 1HD1 ILE 47 -15.748 14.815 -13.023 364 2HD1 ILE 47 2HD1 ILE 47 -16.594 15.212 -11.527 365 3HD1 ILE 47 3HD1 ILE 47 -17.445 15.297 -13.071 366 HA PRO 48 HA PRO 48 -21.184 11.693 -15.863 367 1HB PRO 48 2HB PRO 48 -23.311 13.436 -15.688 368 2HB PRO 48 1HB PRO 48 -23.379 11.748 -15.149 369 1HG PRO 48 2HG PRO 48 -23.194 14.239 -13.513 370 2HG PRO 48 1HG PRO 48 -23.895 12.668 -13.091 371 1HD PRO 48 2HD PRO 48 -21.373 13.614 -12.253 372 2HD PRO 48 1HD PRO 48 -21.929 11.929 -12.169 373 H SER 49 H SER 49 -21.000 14.860 -14.230 374 HA SER 49 HA SER 49 -19.589 15.976 -16.602 375 1HB SER 49 2HB SER 49 -22.255 16.620 -15.864 376 2HB SER 49 1HB SER 49 -21.258 17.994 -15.401 377 HG SER 49 HG SER 49 -20.477 18.077 -17.512 378 H SER 50 H SER 50 -17.985 17.528 -16.010 379 HA SER 50 HA SER 50 -17.383 17.592 -13.100 380 1HB SER 50 2HB SER 50 -15.208 18.736 -14.079 381 2HB SER 50 1HB SER 50 -15.414 16.992 -14.143 382 HG SER 50 HG SER 50 -14.780 18.008 -16.158 383 H GLY 51 H GLY 51 -16.926 20.030 -15.702 384 1HA GLY 51 2HA GLY 51 -16.975 22.299 -14.017 385 2HA GLY 51 1HA GLY 51 -17.392 22.332 -15.731 386 H ASP 52 H ASP 52 -19.644 21.777 -16.308 387 HA ASP 52 HA ASP 52 -21.550 22.498 -14.115 388 1HB ASP 52 2HB ASP 52 -21.307 23.995 -16.232 389 2HB ASP 52 1HB ASP 52 -22.177 22.710 -17.059 390 H LEU 53 H LEU 53 -23.496 21.231 -13.953 391 HA LEU 53 HA LEU 53 -23.123 18.444 -14.777 392 1HB LEU 53 2HB LEU 53 -24.290 19.665 -12.595 393 2HB LEU 53 1HB LEU 53 -25.684 19.104 -13.520 394 HG LEU 53 HG LEU 53 -23.986 16.955 -13.711 395 1HD1 LEU 53 1HD1 LEU 53 -23.523 18.372 -11.090 396 2HD1 LEU 53 2HD1 LEU 53 -22.339 17.653 -12.184 397 3HD1 LEU 53 3HD1 LEU 53 -23.382 16.617 -11.208 398 1HD2 LEU 53 1HD2 LEU 53 -25.452 16.023 -11.807 399 2HD2 LEU 53 2HD2 LEU 53 -26.296 16.655 -13.224 400 3HD2 LEU 53 3HD2 LEU 53 -26.194 17.625 -11.752 401 H SER 54 H SER 54 -24.389 17.247 -16.146 402 HA SER 54 HA SER 54 -25.700 16.816 -18.022 403 1HB SER 54 2HB SER 54 -27.372 17.607 -16.100 404 2HB SER 54 1HB SER 54 -27.639 18.947 -17.210 405 HG SER 54 HG SER 54 -28.822 17.619 -18.315 406 H GLU 55 H GLU 55 -23.890 17.866 -19.207 407 HA GLU 55 HA GLU 55 -24.687 20.471 -20.438 408 1HB GLU 55 2HB GLU 55 -22.207 19.543 -19.330 409 2HB GLU 55 1HB GLU 55 -21.982 19.840 -21.054 410 1HG GLU 55 2HG GLU 55 -21.571 21.864 -19.612 411 2HG GLU 55 1HG GLU 55 -22.812 22.104 -20.836 412 H SER 56 H SER 56 -24.474 20.703 -22.718 413 HA SER 56 HA SER 56 -24.002 18.188 -24.234 414 1HB SER 56 2HB SER 56 -26.543 19.125 -23.806 415 2HB SER 56 1HB SER 56 -26.138 19.897 -25.338 416 HG SER 56 HG SER 56 -25.751 17.141 -24.775 417 H ASP 57 H ASP 57 -21.931 19.170 -24.717 418 HA ASP 57 HA ASP 57 -21.873 21.664 -26.279 419 1HB ASP 57 2HB ASP 57 -19.912 19.902 -24.979 420 2HB ASP 57 1HB ASP 57 -19.385 20.474 -26.561 421 H ASP 58 H ASP 58 -22.648 21.492 -28.359 422 HA ASP 58 HA ASP 58 -21.855 19.053 -29.896 423 1HB ASP 58 2HB ASP 58 -24.397 20.520 -29.694 424 2HB ASP 58 1HB ASP 58 -23.911 20.140 -31.349 425 H TRP 59 H TRP 59 -21.289 19.307 -32.106 426 HA TRP 59 HA TRP 59 -20.397 22.065 -32.844 427 1HB TRP 59 2HB TRP 59 -18.985 19.439 -33.407 428 2HB TRP 59 1HB TRP 59 -18.424 21.038 -33.907 429 HD1 TRP 59 HD1 TRP 59 -17.440 22.644 -32.060 430 HE1 TRP 59 HE1 TRP 59 -16.679 22.244 -29.632 431 HE3 TRP 59 HE3 TRP 59 -19.467 18.013 -31.228 432 HZ2 TRP 59 HZ2 TRP 59 -16.894 20.247 -27.614 433 HZ3 TRP 59 HZ3 TRP 59 -19.166 16.894 -29.033 434 HH2 TRP 59 HH2 TRP 59 -17.882 18.009 -27.229 435 H SER 60 H SER 60 -21.196 18.825 -34.198 436 HA SER 60 HA SER 60 -21.605 19.811 -36.884 437 1HB SER 60 2HB SER 60 -22.746 17.631 -37.265 438 2HB SER 60 1HB SER 60 -21.192 17.425 -36.466 439 HG SER 60 HG SER 60 -22.815 16.206 -35.437 440 H GLU 61 H GLU 61 -23.372 20.863 -37.716 441 HA GLU 61 HA GLU 61 -25.392 21.969 -36.095 442 1HB GLU 61 2HB GLU 61 -24.685 22.454 -38.601 443 2HB GLU 61 1HB GLU 61 -26.024 21.361 -38.958 444 1HG GLU 61 2HG GLU 61 -26.443 23.566 -36.964 445 2HG GLU 61 1HG GLU 61 -26.466 23.956 -38.683 446 H GLU 62 H GLU 62 -27.135 21.116 -35.144 447 HA GLU 62 HA GLU 62 -28.864 19.658 -34.600 448 1HB GLU 62 2HB GLU 62 -29.380 20.190 -37.100 449 2HB GLU 62 1HB GLU 62 -28.785 18.556 -37.400 450 1HG GLU 62 2HG GLU 62 -30.678 18.803 -35.141 451 2HG GLU 62 1HG GLU 62 -31.370 19.131 -36.731 452 HA PRO 63 HA PRO 63 -25.917 16.272 -33.959 453 1HB PRO 63 2HB PRO 63 -26.554 16.014 -31.300 454 2HB PRO 63 1HB PRO 63 -25.376 17.182 -31.919 455 1HG PRO 63 2HG PRO 63 -28.173 17.663 -30.978 456 2HG PRO 63 1HG PRO 63 -26.766 18.736 -30.911 457 1HD PRO 63 2HD PRO 63 -28.836 18.904 -32.798 458 2HD PRO 63 1HD PRO 63 -27.230 19.648 -32.964 459 H LYS 64 H LYS 64 -26.351 14.020 -33.697 460 HA LYS 64 HA LYS 64 -28.870 13.034 -34.475 461 1HB LYS 64 2HB LYS 64 -28.072 10.824 -33.717 462 2HB LYS 64 1HB LYS 64 -26.801 11.691 -34.578 463 1HG LYS 64 2HG LYS 64 -26.197 12.526 -32.113 464 2HG LYS 64 1HG LYS 64 -27.010 11.022 -31.672 465 1HD LYS 64 2HD LYS 64 -25.529 9.800 -33.294 466 2HD LYS 64 1HD LYS 64 -24.657 11.309 -33.566 467 1HE LYS 64 2HE LYS 64 -24.957 9.891 -30.902 468 2HE LYS 64 1HE LYS 64 -23.508 9.921 -31.895 469 1HZ LYS 64 1HZ LYS 64 -24.170 12.546 -31.612 470 2HZ LYS 64 2HZ LYS 64 -22.961 11.722 -30.745 471 3HZ LYS 64 3HZ LYS 64 -24.517 11.890 -30.086 472 H GLN 65 HN GLN 65 -27.677 13.865 -31.264 473 HA GLN 65 HA GLN 65 -30.158 12.835 -30.025 474 1HB GLN 65 2HB GLN 65 -27.535 13.875 -28.970 475 2HB GLN 65 1HB GLN 65 -28.957 13.836 -27.923 476 1HG GLN 65 2HG GLN 65 -29.243 11.425 -28.417 477 2HG GLN 65 1HG GLN 65 -27.797 11.470 -29.425 478 1HE2 GLN 65 1HE2 GLN 65 -28.348 13.072 -26.237 479 2HE2 GLN 65 2HE2 GLN 65 -27.079 12.265 -25.452 Start of MODEL 5 1 H MET 1 1H MET 1 12.027 -18.721 1.519 2 HA MET 1 HA MET 1 11.052 -19.908 -0.346 3 1HB MET 1 2HB MET 1 8.703 -19.716 0.634 4 2HB MET 1 1HB MET 1 8.681 -18.061 0.030 5 1HG MET 1 2HG MET 1 7.981 -18.885 -1.948 6 2HG MET 1 1HG MET 1 9.577 -19.613 -2.137 7 1HE MET 1 1HE MET 1 9.851 -22.490 -2.076 8 2HE MET 1 2HE MET 1 9.356 -21.326 -3.300 9 3HE MET 1 3HE MET 1 8.424 -22.804 -3.078 10 H SER 2 H SER 2 12.191 -19.055 -1.996 11 HA SER 2 HA SER 2 12.403 -16.089 -2.206 12 1HB SER 2 2HB SER 2 14.252 -18.347 -2.655 13 2HB SER 2 1HB SER 2 14.309 -17.110 -3.907 14 HG SER 2 HG SER 2 15.454 -17.024 -1.579 15 H GLU 3 H GLU 3 10.195 -16.208 -3.239 16 HA GLU 3 HA GLU 3 10.361 -17.036 -6.110 17 1HB GLU 3 2HB GLU 3 8.522 -17.894 -4.315 18 2HB GLU 3 1HB GLU 3 7.713 -16.439 -4.895 19 1HG GLU 3 2HG GLU 3 8.921 -18.258 -6.938 20 2HG GLU 3 1HG GLU 3 7.435 -18.784 -6.150 21 H THR 4 H THR 4 10.777 -15.279 -7.352 22 HA THR 4 HA THR 4 10.161 -12.572 -6.473 23 HB THR 4 HB THR 4 11.001 -13.470 -9.247 24 HG1 THR 4 HG1 THR 4 12.719 -14.096 -8.211 25 1HG2 THR 4 1HG2 THR 4 11.936 -11.192 -9.368 26 2HG2 THR 4 2HG2 THR 4 11.333 -10.858 -7.743 27 3HG2 THR 4 3HG2 THR 4 10.199 -11.147 -9.063 28 H ILE 5 H ILE 5 7.944 -12.256 -6.310 29 HA ILE 5 HA ILE 5 6.150 -13.118 -8.476 30 HB ILE 5 HB ILE 5 4.373 -12.046 -7.095 31 1HG1 ILE 5 2HG1 ILE 5 6.226 -11.622 -4.818 32 2HG1 ILE 5 1HG1 ILE 5 6.375 -10.452 -6.129 33 1HG2 ILE 5 1HG2 ILE 5 5.651 -14.390 -6.640 34 2HG2 ILE 5 2HG2 ILE 5 4.283 -13.840 -5.674 35 3HG2 ILE 5 3HG2 ILE 5 5.929 -13.595 -5.090 36 1HD1 ILE 5 1HD1 ILE 5 4.483 -10.372 -4.098 37 2HD1 ILE 5 2HD1 ILE 5 3.585 -11.034 -5.466 38 3HD1 ILE 5 3HD1 ILE 5 4.402 -9.478 -5.615 39 H THR 6 H THR 6 4.821 -11.566 -9.693 40 HA THR 6 HA THR 6 6.198 -8.927 -10.023 41 HB THR 6 HB THR 6 5.341 -9.026 -12.400 42 HG1 THR 6 HG1 THR 6 3.872 -10.520 -12.611 43 1HG2 THR 6 1HG2 THR 6 7.123 -10.444 -13.172 44 2HG2 THR 6 2HG2 THR 6 7.124 -11.359 -11.663 45 3HG2 THR 6 3HG2 THR 6 7.673 -9.684 -11.680 46 H VAL 7 H VAL 7 4.960 -7.233 -9.426 47 HA VAL 7 HA VAL 7 2.067 -7.577 -9.016 48 HB VAL 7 HB VAL 7 3.458 -6.296 -7.390 49 1HG1 VAL 7 1HG1 VAL 7 4.868 -4.663 -8.035 50 2HG1 VAL 7 2HG1 VAL 7 3.596 -3.841 -8.941 51 3HG1 VAL 7 3HG1 VAL 7 4.533 -5.127 -9.703 52 1HG2 VAL 7 1HG2 VAL 7 1.262 -4.821 -8.867 53 2HG2 VAL 7 2HG2 VAL 7 1.952 -4.242 -7.350 54 3HG2 VAL 7 3HG2 VAL 7 1.113 -5.793 -7.403 55 H ASN 8 H ASN 8 0.496 -6.873 -10.416 56 HA ASN 8 HA ASN 8 1.391 -5.692 -12.980 57 1HB ASN 8 2HB ASN 8 -0.420 -7.655 -12.464 58 2HB ASN 8 1HB ASN 8 -1.489 -6.255 -12.554 59 1HD2 ASN 8 1HD2 ASN 8 0.936 -8.116 -14.409 60 2HD2 ASN 8 2HD2 ASN 8 0.467 -7.522 -15.928 61 H CYS 9 H CYS 9 1.002 -3.605 -13.546 62 HA CYS 9 HA CYS 9 0.144 -1.668 -11.617 63 1HB CYS 9 2HB CYS 9 1.629 -1.326 -13.702 64 2HB CYS 9 1HB CYS 9 0.120 -1.233 -14.609 65 HA PRO 10 HA PRO 10 -4.224 -2.404 -12.241 66 1HB PRO 10 2HB PRO 10 -5.030 -0.715 -10.228 67 2HB PRO 10 1HB PRO 10 -4.447 -2.366 -9.956 68 1HG PRO 10 2HG PRO 10 -3.055 0.222 -9.454 69 2HG PRO 10 1HG PRO 10 -2.829 -1.345 -8.663 70 1HD PRO 10 2HD PRO 10 -1.150 -0.236 -10.650 71 2HD PRO 10 1HD PRO 10 -1.137 -1.922 -10.094 72 H THR 11 H THR 11 -2.497 0.542 -12.719 73 HA THR 11 HA THR 11 -4.896 2.109 -13.427 74 HB THR 11 HB THR 11 -1.937 2.766 -13.552 75 HG1 THR 11 HG1 THR 11 -2.237 3.425 -11.593 76 1HG2 THR 11 1HG2 THR 11 -3.286 4.008 -15.248 77 2HG2 THR 11 2HG2 THR 11 -2.626 5.062 -13.998 78 3HG2 THR 11 3HG2 THR 11 -4.325 4.593 -13.949 79 H CYS 12 H CYS 12 -1.958 0.926 -15.129 80 HA CYS 12 HA CYS 12 -3.436 1.301 -17.699 81 1HB CYS 12 2HB CYS 12 -1.268 1.368 -18.790 82 2HB CYS 12 1HB CYS 12 -1.257 2.499 -17.439 83 H GLY 13 H GLY 13 -1.772 -1.110 -15.719 84 1HA GLY 13 2HA GLY 13 -2.294 -3.469 -15.855 85 2HA GLY 13 1HA GLY 13 -2.855 -3.221 -17.511 86 H LYS 14 H LYS 14 0.075 -3.256 -15.498 87 HA LYS 14 HA LYS 14 1.588 -4.327 -17.824 88 1HB LYS 14 2HB LYS 14 1.780 -1.688 -17.219 89 2HB LYS 14 1HB LYS 14 3.026 -2.342 -16.158 90 1HG LYS 14 2HG LYS 14 3.602 -3.702 -18.421 91 2HG LYS 14 1HG LYS 14 2.935 -2.227 -19.123 92 1HD LYS 14 2HD LYS 14 4.517 -1.147 -17.212 93 2HD LYS 14 1HD LYS 14 5.428 -2.617 -17.555 94 1HE LYS 14 2HE LYS 14 5.278 -2.030 -20.009 95 2HE LYS 14 1HE LYS 14 4.590 -0.478 -19.532 96 1HZ LYS 14 1HZ LYS 14 6.837 -0.797 -17.977 97 2HZ LYS 14 2HZ LYS 14 6.665 0.235 -19.315 98 3HZ LYS 14 3HZ LYS 14 7.307 -1.325 -19.518 99 H THR 15 H THR 15 3.016 -5.919 -17.221 100 HA THR 15 HA THR 15 2.988 -6.809 -14.436 101 HB THR 15 HB THR 15 4.655 -7.905 -16.720 102 HG1 THR 15 HG1 THR 15 2.874 -8.663 -17.492 103 1HG2 THR 15 1HG2 THR 15 4.127 -10.027 -15.236 104 2HG2 THR 15 2HG2 THR 15 3.892 -8.820 -13.971 105 3HG2 THR 15 3HG2 THR 15 5.445 -8.940 -14.798 106 H VAL 16 H VAL 16 4.269 -5.818 -12.978 107 HA VAL 16 HA VAL 16 7.015 -4.973 -13.824 108 HB VAL 16 HB VAL 16 5.343 -3.839 -11.556 109 1HG1 VAL 16 1HG1 VAL 16 7.598 -3.447 -11.022 110 2HG1 VAL 16 2HG1 VAL 16 7.140 -1.980 -11.887 111 3HG1 VAL 16 3HG1 VAL 16 8.061 -3.240 -12.711 112 1HG2 VAL 16 1HG2 VAL 16 6.029 -2.390 -14.111 113 2HG2 VAL 16 2HG2 VAL 16 4.746 -2.042 -12.952 114 3HG2 VAL 16 3HG2 VAL 16 4.603 -3.424 -14.036 115 H VAL 17 H VAL 17 8.696 -5.923 -12.728 116 HA VAL 17 HA VAL 17 8.263 -8.171 -11.034 117 HB VAL 17 HB VAL 17 10.350 -7.679 -12.381 118 1HG1 VAL 17 1HG1 VAL 17 12.099 -6.323 -11.246 119 2HG1 VAL 17 2HG1 VAL 17 10.915 -5.849 -10.028 120 3HG1 VAL 17 3HG1 VAL 17 10.699 -5.353 -11.707 121 1HG2 VAL 17 1HG2 VAL 17 11.886 -8.446 -10.378 122 2HG2 VAL 17 2HG2 VAL 17 10.610 -9.511 -10.968 123 3HG2 VAL 17 3HG2 VAL 17 10.355 -8.554 -9.509 124 H TRP 18 H TRP 18 8.191 -8.413 -8.825 125 HA TRP 18 HA TRP 18 8.274 -5.909 -7.182 126 1HB TRP 18 2HB TRP 18 5.995 -6.784 -7.325 127 2HB TRP 18 1HB TRP 18 6.550 -8.388 -6.846 128 HD1 TRP 18 HD1 TRP 18 6.603 -8.896 -4.343 129 HE1 TRP 18 HE1 TRP 18 6.349 -7.506 -2.188 130 HE3 TRP 18 HE3 TRP 18 6.494 -4.194 -6.332 131 HZ2 TRP 18 HZ2 TRP 18 6.131 -4.765 -1.412 132 HZ3 TRP 18 HZ3 TRP 18 6.263 -2.214 -4.862 133 HH2 TRP 18 HH2 TRP 18 6.079 -2.492 -2.406 134 H GLY 19 H GLY 19 9.277 -6.063 -5.117 135 1HA GLY 19 2HA GLY 19 10.151 -7.754 -3.388 136 2HA GLY 19 1HA GLY 19 10.989 -8.492 -4.753 137 H GLU 20 H GLU 20 12.884 -7.546 -5.518 138 HA GLU 20 HA GLU 20 13.706 -4.872 -4.650 139 1HB GLU 20 2HB GLU 20 14.348 -7.103 -3.011 140 2HB GLU 20 1HB GLU 20 15.837 -6.641 -3.834 141 1HG GLU 20 2HG GLU 20 14.223 -4.390 -2.783 142 2HG GLU 20 1HG GLU 20 14.936 -5.440 -1.562 143 H ILE 21 H ILE 21 13.343 -5.637 -7.211 144 HA ILE 21 HA ILE 21 16.096 -6.161 -8.256 145 HB ILE 21 HB ILE 21 13.403 -6.825 -9.484 146 1HG1 ILE 21 2HG1 ILE 21 14.960 -9.111 -9.380 147 2HG1 ILE 21 1HG1 ILE 21 15.379 -8.292 -7.875 148 1HG2 ILE 21 1HG2 ILE 21 16.157 -7.431 -10.590 149 2HG2 ILE 21 2HG2 ILE 21 15.187 -6.057 -11.119 150 3HG2 ILE 21 3HG2 ILE 21 14.601 -7.699 -11.375 151 1HD1 ILE 21 1HD1 ILE 21 13.440 -8.990 -6.980 152 2HD1 ILE 21 2HD1 ILE 21 12.987 -9.744 -8.507 153 3HD1 ILE 21 3HD1 ILE 21 12.561 -8.062 -8.195 154 H SER 22 H SER 22 13.032 -4.635 -9.299 155 HA SER 22 HA SER 22 14.570 -2.631 -10.845 156 1HB SER 22 2HB SER 22 11.729 -3.545 -10.744 157 2HB SER 22 1HB SER 22 12.027 -1.887 -11.255 158 HG SER 22 HG SER 22 12.092 -3.292 -13.029 159 HA PRO 23 HA PRO 23 14.068 0.629 -7.932 160 1HB PRO 23 2HB PRO 23 13.635 2.778 -9.597 161 2HB PRO 23 1HB PRO 23 15.215 2.006 -9.377 162 1HG PRO 23 2HG PRO 23 13.331 1.805 -11.684 163 2HG PRO 23 1HG PRO 23 15.094 1.637 -11.657 164 1HD PRO 23 2HD PRO 23 13.247 -0.491 -11.779 165 2HD PRO 23 1HD PRO 23 14.969 -0.637 -11.370 166 H PHE 24 H PHE 24 11.560 0.597 -10.484 167 HA PHE 24 HA PHE 24 9.599 1.691 -8.519 168 1HB PHE 24 2HB PHE 24 10.077 2.479 -11.104 169 2HB PHE 24 1HB PHE 24 8.751 1.340 -11.333 170 HD1 PHE 24 HD1 PHE 24 9.798 4.329 -9.354 171 HD2 PHE 24 HD2 PHE 24 6.528 1.938 -10.780 172 HE1 PHE 24 HE1 PHE 24 8.195 6.032 -8.533 173 HE2 PHE 24 HE2 PHE 24 4.925 3.640 -9.958 174 HZ PHE 24 HZ PHE 24 5.757 5.688 -8.834 175 H ARG 25 H ARG 25 9.945 -0.688 -7.676 176 HA ARG 25 HA ARG 25 8.895 -2.937 -9.039 177 1HB ARG 25 2HB ARG 25 9.250 -2.236 -6.144 178 2HB ARG 25 1HB ARG 25 8.319 -3.673 -6.564 179 1HG ARG 25 2HG ARG 25 10.141 -4.767 -7.458 180 2HG ARG 25 1HG ARG 25 10.938 -3.269 -7.939 181 1HD ARG 25 2HD ARG 25 10.554 -3.869 -5.020 182 2HD ARG 25 1HD ARG 25 11.876 -4.636 -5.900 183 HE ARG 25 HE ARG 25 12.526 -2.220 -6.542 184 1HH1 ARG 25 1HH2 ARG 25 13.366 -3.042 -3.769 185 2HH1 ARG 25 2HH2 ARG 25 12.810 -1.707 -2.820 186 1HH2 ARG 25 2HH1 ARG 25 10.701 -0.491 -5.300 187 2HH2 ARG 25 1HH1 ARG 25 11.296 -0.255 -3.691 188 HA PRO 26 HA PRO 26 4.582 -1.901 -7.220 189 1HB PRO 26 2HB PRO 26 4.264 0.547 -6.000 190 2HB PRO 26 1HB PRO 26 4.710 -0.930 -5.128 191 1HG PRO 26 2HG PRO 26 6.422 1.395 -5.883 192 2HG PRO 26 1HG PRO 26 6.596 0.266 -4.530 193 1HD PRO 26 2HD PRO 26 8.082 0.199 -6.925 194 2HD PRO 26 1HD PRO 26 7.971 -1.116 -5.736 195 H PHE 27 H PHE 27 3.331 -1.419 -8.985 196 HA PHE 27 HA PHE 27 2.416 -0.271 -10.813 197 1HB PHE 27 2HB PHE 27 3.617 2.054 -9.294 198 2HB PHE 27 1HB PHE 27 2.825 2.278 -10.850 199 HD1 PHE 27 HD1 PHE 27 2.311 0.933 -7.408 200 HD2 PHE 27 HD2 PHE 27 0.464 2.335 -11.024 201 HE1 PHE 27 HE1 PHE 27 0.098 0.911 -6.288 202 HE2 PHE 27 HE2 PHE 27 -1.747 2.311 -9.904 203 HZ PHE 27 HZ PHE 27 -1.930 1.598 -7.536 204 H CYS 28 H CYS 28 3.219 1.176 -12.764 205 HA CYS 28 HA CYS 28 5.971 0.233 -13.424 206 1HB CYS 28 2HB CYS 28 5.334 0.531 -15.766 207 2HB CYS 28 1HB CYS 28 4.124 -0.452 -14.944 208 H SER 29 H SER 29 4.013 3.156 -13.111 209 HA SER 29 HA SER 29 6.497 4.768 -13.350 210 1HB SER 29 2HB SER 29 4.639 4.623 -15.440 211 2HB SER 29 1HB SER 29 4.248 6.127 -14.611 212 HG SER 29 HG SER 29 5.948 6.172 -16.298 213 H LYS 30 H LYS 30 6.151 7.015 -12.507 214 HA LYS 30 HA LYS 30 4.804 7.004 -9.978 215 1HB LYS 30 2HB LYS 30 6.514 8.788 -11.459 216 2HB LYS 30 1HB LYS 30 5.153 9.698 -10.805 217 1HG LYS 30 2HG LYS 30 6.533 7.725 -9.024 218 2HG LYS 30 1HG LYS 30 7.321 9.272 -9.338 219 1HD LYS 30 2HD LYS 30 6.014 10.136 -7.713 220 2HD LYS 30 1HD LYS 30 4.665 9.962 -8.835 221 1HE LYS 30 2HE LYS 30 4.982 7.396 -7.805 222 2HE LYS 30 1HE LYS 30 5.272 8.437 -6.413 223 1HZ LYS 30 1HZ LYS 30 3.124 8.899 -6.291 224 2HZ LYS 30 2HZ LYS 30 2.831 7.753 -7.509 225 3HZ LYS 30 3HZ LYS 30 3.060 9.386 -7.913 226 H ARG 31 H ARG 31 3.847 8.194 -13.183 227 HA ARG 31 HA ARG 31 1.509 9.636 -12.349 228 1HB ARG 31 2HB ARG 31 2.815 9.070 -14.787 229 2HB ARG 31 1HB ARG 31 1.172 8.449 -14.965 230 1HG ARG 31 2HG ARG 31 0.200 10.561 -14.498 231 2HG ARG 31 1HG ARG 31 1.698 11.194 -13.826 232 1HD ARG 31 2HD ARG 31 1.016 10.682 -16.721 233 2HD ARG 31 1HD ARG 31 1.574 12.177 -15.979 234 HE ARG 31 HE ARG 31 3.294 9.834 -16.616 235 1HH1 ARG 31 2HH1 ARG 31 4.182 11.278 -14.124 236 2HH1 ARG 31 1HH1 ARG 31 5.263 12.467 -14.764 237 1HH2 ARG 31 1HH2 ARG 31 4.139 12.120 -18.036 238 2HH2 ARG 31 2HH2 ARG 31 5.247 12.939 -16.986 239 H CYS 32 H CYS 32 1.947 6.258 -13.472 240 HA CYS 32 HA CYS 32 -0.792 5.504 -13.420 241 1HB CYS 32 2HB CYS 32 1.805 4.034 -13.193 242 2HB CYS 32 1HB CYS 32 0.331 3.178 -12.740 243 H GLN 33 H GLN 33 1.679 5.386 -10.842 244 HA GLN 33 HA GLN 33 -0.084 4.382 -8.797 245 1HB GLN 33 2HB GLN 33 2.461 4.425 -8.732 246 2HB GLN 33 1HB GLN 33 2.340 6.147 -8.376 247 1HG GLN 33 2HG GLN 33 1.009 5.663 -6.371 248 2HG GLN 33 1HG GLN 33 1.065 3.938 -6.736 249 1HE2 GLN 33 1HE2 GLN 33 3.256 2.887 -6.670 250 2HE2 GLN 33 2HE2 GLN 33 4.471 3.562 -5.699 251 H LEU 34 H LEU 34 0.707 7.625 -9.973 252 HA LEU 34 HA LEU 34 -0.555 9.140 -7.894 253 1HB LEU 34 2HB LEU 34 0.982 9.840 -9.963 254 2HB LEU 34 1HB LEU 34 -0.578 10.112 -10.733 255 HG LEU 34 HG LEU 34 -1.219 11.570 -8.784 256 1HD1 LEU 34 1HD1 LEU 34 0.093 11.055 -6.956 257 2HD1 LEU 34 2HD1 LEU 34 1.055 12.382 -7.609 258 3HD1 LEU 34 3HD1 LEU 34 1.515 10.712 -7.939 259 1HD2 LEU 34 1HD2 LEU 34 -0.550 13.153 -10.239 260 2HD2 LEU 34 2HD2 LEU 34 0.691 12.084 -10.894 261 3HD2 LEU 34 3HD2 LEU 34 1.048 13.100 -9.496 262 H ILE 35 H ILE 35 -1.796 8.645 -11.225 263 HA ILE 35 HA ILE 35 -4.450 9.424 -10.813 264 HB ILE 35 HB ILE 35 -3.388 7.218 -12.608 265 1HG1 ILE 35 2HG1 ILE 35 -4.233 9.902 -13.603 266 2HG1 ILE 35 1HG1 ILE 35 -2.718 9.826 -12.704 267 1HG2 ILE 35 1HG2 ILE 35 -5.498 6.833 -13.285 268 2HG2 ILE 35 2HG2 ILE 35 -5.732 8.549 -13.617 269 3HG2 ILE 35 3HG2 ILE 35 -6.082 7.906 -12.015 270 1HD1 ILE 35 1HD1 ILE 35 -2.628 7.620 -14.433 271 2HD1 ILE 35 2HD1 ILE 35 -1.733 9.131 -14.610 272 3HD1 ILE 35 3HD1 ILE 35 -3.293 8.929 -15.409 273 H ASP 36 H ASP 36 -2.937 6.330 -9.972 274 HA ASP 36 HA ASP 36 -5.228 4.760 -9.487 275 1HB ASP 36 2HB ASP 36 -2.709 4.135 -9.320 276 2HB ASP 36 1HB ASP 36 -2.841 4.677 -7.647 277 H LEU 37 H LEU 37 -3.641 7.123 -7.322 278 HA LEU 37 HA LEU 37 -5.291 6.647 -5.033 279 1HB LEU 37 2HB LEU 37 -3.406 8.718 -5.931 280 2HB LEU 37 1HB LEU 37 -4.690 9.342 -4.896 281 HG LEU 37 HG LEU 37 -3.454 6.797 -4.010 282 1HD1 LEU 37 1HD1 LEU 37 -1.950 9.406 -3.685 283 2HD1 LEU 37 2HD1 LEU 37 -1.534 8.202 -4.906 284 3HD1 LEU 37 3HD1 LEU 37 -1.428 7.794 -3.193 285 1HD2 LEU 37 1HD2 LEU 37 -4.397 9.388 -2.773 286 2HD2 LEU 37 2HD2 LEU 37 -3.498 8.197 -1.833 287 3HD2 LEU 37 3HD2 LEU 37 -5.052 7.767 -2.550 288 H GLY 38 H GLY 38 -5.538 9.336 -7.411 289 1HA GLY 38 2HA GLY 38 -7.719 9.737 -8.528 290 2HA GLY 38 1HA GLY 38 -8.509 9.214 -7.046 291 H GLU 39 H GLU 39 -5.727 11.316 -6.766 292 HA GLU 39 HA GLU 39 -7.567 13.616 -6.219 293 1HB GLU 39 2HB GLU 39 -5.144 12.653 -4.681 294 2HB GLU 39 1HB GLU 39 -5.781 14.287 -4.499 295 1HG GLU 39 2HG GLU 39 -7.128 13.380 -2.913 296 2HG GLU 39 1HG GLU 39 -8.063 12.764 -4.275 297 H TRP 40 H TRP 40 -6.360 13.137 -8.740 298 HA TRP 40 HA TRP 40 -4.516 15.473 -8.910 299 1HB TRP 40 2HB TRP 40 -3.975 13.071 -10.623 300 2HB TRP 40 1HB TRP 40 -2.865 14.332 -10.087 301 HD1 TRP 40 HD1 TRP 40 -4.197 10.963 -9.168 302 HE1 TRP 40 HE1 TRP 40 -3.177 10.191 -6.939 303 HE3 TRP 40 HE3 TRP 40 -1.947 15.291 -7.675 304 HZ2 TRP 40 HZ2 TRP 40 -1.619 11.246 -4.809 305 HZ3 TRP 40 HZ3 TRP 40 -0.693 15.378 -5.539 306 HH2 TRP 40 HH2 TRP 40 -0.524 13.363 -4.101 307 H ALA 41 H ALA 41 -4.288 16.181 -11.275 308 HA ALA 41 HA ALA 41 -6.947 15.920 -12.603 309 1HB ALA 41 1HB ALA 41 -6.634 18.068 -13.487 310 2HB ALA 41 2HB ALA 41 -4.878 17.975 -13.352 311 3HB ALA 41 3HB ALA 41 -5.864 18.205 -11.907 312 H ALA 42 H ALA 42 -6.093 13.750 -13.361 313 HA ALA 42 HA ALA 42 -4.764 14.107 -15.995 314 1HB ALA 42 1HB ALA 42 -3.229 12.251 -15.589 315 2HB ALA 42 2HB ALA 42 -3.911 12.001 -13.982 316 3HB ALA 42 3HB ALA 42 -3.005 13.472 -14.336 317 H GLU 43 H GLU 43 -7.446 13.772 -15.737 318 HA GLU 43 HA GLU 43 -9.255 12.444 -16.374 319 1HB GLU 43 2HB GLU 43 -7.333 12.060 -18.237 320 2HB GLU 43 1HB GLU 43 -7.512 10.404 -17.659 321 1HG GLU 43 2HG GLU 43 -9.978 12.005 -18.266 322 2HG GLU 43 1HG GLU 43 -9.064 11.306 -19.602 323 H GLU 44 H GLU 44 -9.436 11.901 -14.049 324 HA GLU 44 HA GLU 44 -9.380 8.967 -13.658 325 1HB GLU 44 2HB GLU 44 -8.275 9.226 -11.423 326 2HB GLU 44 1HB GLU 44 -7.210 9.651 -12.763 327 1HG GLU 44 2HG GLU 44 -8.098 12.076 -12.399 328 2HG GLU 44 1HG GLU 44 -8.616 11.482 -10.821 329 H LYS 45 H LYS 45 -11.409 11.207 -13.911 330 HA LYS 45 HA LYS 45 -12.804 10.797 -11.291 331 1HB LYS 45 2HB LYS 45 -12.273 13.222 -12.881 332 2HB LYS 45 1HB LYS 45 -13.949 13.059 -12.364 333 1HG LYS 45 2HG LYS 45 -13.323 13.842 -10.347 334 2HG LYS 45 1HG LYS 45 -12.408 12.352 -10.116 335 1HD LYS 45 2HD LYS 45 -10.422 13.353 -11.100 336 2HD LYS 45 1HD LYS 45 -11.323 14.806 -11.533 337 1HE LYS 45 2HE LYS 45 -11.531 15.499 -9.291 338 2HE LYS 45 1HE LYS 45 -11.179 13.892 -8.662 339 1HZ LYS 45 1HZ LYS 45 -9.360 15.705 -8.612 340 2HZ LYS 45 2HZ LYS 45 -9.152 15.321 -10.254 341 3HZ LYS 45 3HZ LYS 45 -8.940 14.126 -9.064 342 H ARG 46 H ARG 46 -15.022 10.312 -11.384 343 HA ARG 46 HA ARG 46 -16.018 9.032 -13.798 344 1HB ARG 46 2HB ARG 46 -16.858 9.322 -11.011 345 2HB ARG 46 1HB ARG 46 -18.217 9.511 -12.115 346 1HG ARG 46 2HG ARG 46 -16.370 7.260 -12.702 347 2HG ARG 46 1HG ARG 46 -17.338 7.102 -11.240 348 1HD ARG 46 2HD ARG 46 -19.194 6.648 -12.434 349 2HD ARG 46 1HD ARG 46 -18.972 8.098 -13.415 350 HE ARG 46 HE ARG 46 -17.252 6.607 -14.704 351 1HH1 ARG 46 1HH2 ARG 46 -18.216 4.299 -12.851 352 2HH1 ARG 46 2HH2 ARG 46 -19.234 3.433 -13.952 353 1HH2 ARG 46 2HH1 ARG 46 -19.397 6.049 -16.241 354 2HH2 ARG 46 1HH1 ARG 46 -19.905 4.432 -15.883 355 H ILE 47 H ILE 47 -16.918 11.964 -11.992 356 HA ILE 47 HA ILE 47 -18.793 12.900 -14.009 357 HB ILE 47 HB ILE 47 -18.793 14.991 -12.623 358 1HG1 ILE 47 2HG1 ILE 47 -17.297 13.937 -10.389 359 2HG1 ILE 47 1HG1 ILE 47 -16.262 13.968 -11.814 360 1HG2 ILE 47 1HG2 ILE 47 -18.927 12.646 -10.743 361 2HG2 ILE 47 2HG2 ILE 47 -20.057 12.751 -12.094 362 3HG2 ILE 47 3HG2 ILE 47 -20.017 14.027 -10.878 363 1HD1 ILE 47 1HD1 ILE 47 -15.937 16.133 -11.117 364 2HD1 ILE 47 2HD1 ILE 47 -17.513 16.228 -10.332 365 3HD1 ILE 47 3HD1 ILE 47 -17.389 16.391 -12.084 366 HA PRO 48 HA PRO 48 -15.950 15.063 -16.605 367 1HB PRO 48 2HB PRO 48 -17.689 16.908 -17.672 368 2HB PRO 48 1HB PRO 48 -17.660 15.202 -18.149 369 1HG PRO 48 2HG PRO 48 -19.627 16.635 -16.426 370 2HG PRO 48 1HG PRO 48 -19.856 15.195 -17.431 371 1HD PRO 48 2HD PRO 48 -19.520 15.213 -14.623 372 2HD PRO 48 1HD PRO 48 -19.399 13.788 -15.678 373 H SER 49 H SER 49 -14.435 16.454 -15.768 374 HA SER 49 HA SER 49 -14.937 18.374 -13.712 375 1HB SER 49 2HB SER 49 -12.659 17.747 -15.537 376 2HB SER 49 1HB SER 49 -12.646 19.316 -14.739 377 HG SER 49 HG SER 49 -11.697 17.968 -13.314 378 H SER 50 H SER 50 -14.378 18.839 -17.217 379 HA SER 50 HA SER 50 -15.060 21.688 -17.041 380 1HB SER 50 2HB SER 50 -13.855 19.894 -18.992 381 2HB SER 50 1HB SER 50 -15.064 20.934 -19.736 382 HG SER 50 HG SER 50 -12.760 21.705 -19.431 383 H GLY 51 H GLY 51 -16.558 18.733 -18.388 384 1HA GLY 51 2HA GLY 51 -18.965 18.375 -18.269 385 2HA GLY 51 1HA GLY 51 -19.195 20.123 -18.286 386 H ASP 52 H ASP 52 -18.637 21.257 -20.347 387 HA ASP 52 HA ASP 52 -18.816 19.472 -22.737 388 1HB ASP 52 2HB ASP 52 -20.616 21.724 -21.919 389 2HB ASP 52 1HB ASP 52 -20.276 21.522 -23.638 390 H LEU 53 H LEU 53 -16.428 20.555 -21.760 391 HA LEU 53 HA LEU 53 -15.855 22.839 -23.595 392 1HB LEU 53 2HB LEU 53 -14.932 22.087 -20.928 393 2HB LEU 53 1HB LEU 53 -13.595 22.416 -22.026 394 HG LEU 53 HG LEU 53 -15.763 24.364 -22.293 395 1HD1 LEU 53 1HD1 LEU 53 -16.191 24.692 -20.103 396 2HD1 LEU 53 2HD1 LEU 53 -14.536 25.277 -19.947 397 3HD1 LEU 53 3HD1 LEU 53 -14.910 23.583 -19.615 398 1HD2 LEU 53 1HD2 LEU 53 -12.780 24.460 -21.742 399 2HD2 LEU 53 2HD2 LEU 53 -13.772 25.903 -21.952 400 3HD2 LEU 53 3HD2 LEU 53 -13.598 24.753 -23.279 401 H SER 54 H SER 54 -14.805 22.346 -25.442 402 HA SER 54 HA SER 54 -13.485 21.225 -27.009 403 1HB SER 54 2HB SER 54 -11.902 21.504 -24.847 404 2HB SER 54 1HB SER 54 -11.975 19.745 -24.911 405 HG SER 54 HG SER 54 -10.293 20.893 -26.203 406 H GLU 55 H GLU 55 -12.435 18.716 -27.184 407 HA GLU 55 HA GLU 55 -14.855 17.044 -27.252 408 1HB GLU 55 2HB GLU 55 -12.277 17.138 -28.622 409 2HB GLU 55 1HB GLU 55 -12.700 15.499 -28.124 410 1HG GLU 55 2HG GLU 55 -14.752 15.557 -29.315 411 2HG GLU 55 1HG GLU 55 -14.677 17.303 -29.529 412 H SER 56 H SER 56 -15.324 15.466 -25.806 413 HA SER 56 HA SER 56 -15.119 13.921 -24.074 414 1HB SER 56 2HB SER 56 -12.408 13.979 -25.263 415 2HB SER 56 1HB SER 56 -12.511 13.340 -23.626 416 HG SER 56 HG SER 56 -12.851 11.758 -25.286 417 H ASP 57 H ASP 57 -15.564 14.602 -22.071 418 HA ASP 57 HA ASP 57 -13.663 16.504 -20.751 419 1HB ASP 57 2HB ASP 57 -16.676 16.248 -20.490 420 2HB ASP 57 1HB ASP 57 -15.684 17.208 -19.392 421 H ASP 58 H ASP 58 -12.419 14.890 -19.752 422 HA ASP 58 HA ASP 58 -11.836 13.548 -17.926 423 1HB ASP 58 2HB ASP 58 -14.254 14.764 -17.061 424 2HB ASP 58 1HB ASP 58 -14.364 13.051 -16.657 425 H TRP 59 H TRP 59 -14.296 12.688 -20.191 426 HA TRP 59 HA TRP 59 -13.730 9.818 -19.624 427 1HB TRP 59 2HB TRP 59 -16.115 10.730 -18.980 428 2HB TRP 59 1HB TRP 59 -16.400 10.658 -20.719 429 HD1 TRP 59 HD1 TRP 59 -17.523 8.475 -21.346 430 HE1 TRP 59 HE1 TRP 59 -17.339 6.013 -20.607 431 HE3 TRP 59 HE3 TRP 59 -13.997 8.908 -17.663 432 HZ2 TRP 59 HZ2 TRP 59 -15.899 4.440 -18.711 433 HZ3 TRP 59 HZ3 TRP 59 -13.243 6.906 -16.410 434 HH2 TRP 59 HH2 TRP 59 -14.191 4.674 -16.930 435 H SER 60 H SER 60 -12.969 8.775 -21.381 436 HA SER 60 HA SER 60 -12.691 10.186 -23.915 437 1HB SER 60 2HB SER 60 -11.858 7.488 -22.874 438 2HB SER 60 1HB SER 60 -11.745 7.846 -24.594 439 HG SER 60 HG SER 60 -9.940 8.778 -24.058 440 H GLU 61 H GLU 61 -14.775 7.604 -22.669 441 HA GLU 61 HA GLU 61 -15.854 6.929 -25.302 442 1HB GLU 61 2HB GLU 61 -16.750 6.226 -22.495 443 2HB GLU 61 1HB GLU 61 -17.484 5.574 -23.958 444 1HG GLU 61 2HG GLU 61 -15.915 3.954 -23.918 445 2HG GLU 61 1HG GLU 61 -14.719 5.193 -24.302 446 H GLU 62 H GLU 62 -16.605 9.054 -26.018 447 HA GLU 62 HA GLU 62 -19.078 9.977 -24.605 448 1HB GLU 62 2HB GLU 62 -16.813 11.471 -25.336 449 2HB GLU 62 1HB GLU 62 -18.030 11.867 -26.547 450 1HG GLU 62 2HG GLU 62 -19.390 12.919 -25.046 451 2HG GLU 62 1HG GLU 62 -19.006 11.789 -23.749 452 HA PRO 63 HA PRO 63 -21.082 8.538 -28.285 453 1HB PRO 63 2HB PRO 63 -23.596 9.442 -27.586 454 2HB PRO 63 1HB PRO 63 -22.870 7.948 -26.972 455 1HG PRO 63 2HG PRO 63 -23.242 10.562 -25.582 456 2HG PRO 63 1HG PRO 63 -23.137 8.930 -24.900 457 1HD PRO 63 2HD PRO 63 -21.060 10.836 -24.903 458 2HD PRO 63 1HD PRO 63 -20.874 9.099 -24.584 459 H LYS 64 H LYS 64 -20.927 11.856 -27.218 460 HA LYS 64 HA LYS 64 -22.040 12.859 -29.786 461 1HB LYS 64 2HB LYS 64 -21.156 14.317 -27.272 462 2HB LYS 64 1HB LYS 64 -21.836 15.098 -28.699 463 1HG LYS 64 2HG LYS 64 -23.951 14.502 -28.152 464 2HG LYS 64 1HG LYS 64 -23.470 12.861 -27.737 465 1HD LYS 64 2HD LYS 64 -23.633 13.370 -25.554 466 2HD LYS 64 1HD LYS 64 -22.379 14.594 -25.752 467 1HE LYS 64 2HE LYS 64 -24.645 15.785 -26.857 468 2HE LYS 64 1HE LYS 64 -25.265 14.929 -25.448 469 1HZ LYS 64 1HZ LYS 64 -22.829 16.586 -25.247 470 2HZ LYS 64 2HZ LYS 64 -23.907 16.108 -24.023 471 3HZ LYS 64 3HZ LYS 64 -24.370 17.293 -25.147 472 H GLN 65 HN GLN 65 -19.126 13.367 -27.752 473 HA GLN 65 HA GLN 65 -17.638 14.236 -30.184 474 1HB GLN 65 2HB GLN 65 -16.872 14.464 -27.260 475 2HB GLN 65 1HB GLN 65 -16.051 15.218 -28.613 476 1HG GLN 65 2HG GLN 65 -18.847 15.880 -28.724 477 2HG GLN 65 1HG GLN 65 -18.213 16.271 -27.124 478 1HE2 GLN 65 1HE2 GLN 65 -16.997 18.183 -26.966 479 2HE2 GLN 65 2HE2 GLN 65 -16.428 19.071 -28.294 Start of MODEL 6 1 H MET 1 1H MET 1 17.355 -13.603 -7.520 2 HA MET 1 HA MET 1 16.113 -14.929 -5.171 3 1HB MET 1 2HB MET 1 15.636 -12.449 -5.651 4 2HB MET 1 1HB MET 1 14.860 -13.003 -7.133 5 1HG MET 1 2HG MET 1 12.993 -13.335 -5.927 6 2HG MET 1 1HG MET 1 13.829 -14.667 -5.129 7 1HE MET 1 1HE MET 1 12.161 -14.278 -3.189 8 2HE MET 1 2HE MET 1 12.941 -13.595 -1.762 9 3HE MET 1 3HE MET 1 13.776 -14.822 -2.711 10 H SER 2 H SER 2 15.336 -16.904 -5.713 11 HA SER 2 HA SER 2 15.157 -17.730 -8.523 12 1HB SER 2 2HB SER 2 14.405 -19.915 -7.526 13 2HB SER 2 1HB SER 2 15.966 -19.364 -6.929 14 HG SER 2 HG SER 2 14.450 -20.083 -5.291 15 H GLU 3 H GLU 3 12.838 -17.412 -5.804 16 HA GLU 3 HA GLU 3 10.598 -17.541 -7.755 17 1HB GLU 3 2HB GLU 3 10.857 -17.919 -4.793 18 2HB GLU 3 1HB GLU 3 9.307 -17.373 -5.431 19 1HG GLU 3 2HG GLU 3 9.146 -19.739 -5.432 20 2HG GLU 3 1HG GLU 3 9.507 -19.322 -7.106 21 H THR 4 H THR 4 10.658 -15.490 -8.707 22 HA THR 4 HA THR 4 10.390 -13.151 -6.865 23 HB THR 4 HB THR 4 11.155 -13.158 -9.801 24 HG1 THR 4 HG1 THR 4 13.007 -13.768 -9.051 25 1HG2 THR 4 1HG2 THR 4 10.829 -11.066 -7.684 26 2HG2 THR 4 2HG2 THR 4 10.381 -11.011 -9.390 27 3HG2 THR 4 3HG2 THR 4 12.072 -10.842 -8.915 28 H ILE 5 H ILE 5 8.326 -12.483 -6.638 29 HA ILE 5 HA ILE 5 6.282 -13.186 -8.636 30 HB ILE 5 HB ILE 5 4.702 -12.100 -7.043 31 1HG1 ILE 5 2HG1 ILE 5 6.722 -11.853 -4.906 32 2HG1 ILE 5 1HG1 ILE 5 6.910 -10.669 -6.198 33 1HG2 ILE 5 1HG2 ILE 5 5.431 -14.501 -6.822 34 2HG2 ILE 5 2HG2 ILE 5 4.903 -13.769 -5.307 35 3HG2 ILE 5 3HG2 ILE 5 6.624 -13.972 -5.635 36 1HD1 ILE 5 1HD1 ILE 5 4.970 -10.704 -4.085 37 2HD1 ILE 5 2HD1 ILE 5 4.127 -10.855 -5.627 38 3HD1 ILE 5 3HD1 ILE 5 5.201 -9.485 -5.339 39 H THR 6 H THR 6 4.974 -11.604 -9.739 40 HA THR 6 HA THR 6 6.283 -8.922 -10.007 41 HB THR 6 HB THR 6 5.422 -8.975 -12.389 42 HG1 THR 6 HG1 THR 6 4.049 -10.529 -12.694 43 1HG2 THR 6 1HG2 THR 6 7.525 -10.815 -11.308 44 2HG2 THR 6 2HG2 THR 6 7.703 -9.376 -12.314 45 3HG2 THR 6 3HG2 THR 6 7.138 -10.885 -13.031 46 H VAL 7 H VAL 7 4.966 -7.241 -9.522 47 HA VAL 7 HA VAL 7 2.076 -7.745 -9.111 48 HB VAL 7 HB VAL 7 2.050 -5.476 -8.107 49 1HG1 VAL 7 1HG1 VAL 7 2.494 -6.830 -6.341 50 2HG1 VAL 7 2HG1 VAL 7 4.112 -6.133 -6.430 51 3HG1 VAL 7 3HG1 VAL 7 3.777 -7.686 -7.198 52 1HG2 VAL 7 1HG2 VAL 7 4.316 -4.381 -7.739 53 2HG2 VAL 7 2HG2 VAL 7 3.717 -4.322 -9.398 54 3HG2 VAL 7 3HG2 VAL 7 4.962 -5.489 -8.949 55 H ASN 8 H ASN 8 0.504 -6.971 -10.469 56 HA ASN 8 HA ASN 8 1.397 -5.685 -12.977 57 1HB ASN 8 2HB ASN 8 -0.608 -7.554 -12.315 58 2HB ASN 8 1HB ASN 8 -1.464 -6.091 -12.801 59 1HD2 ASN 8 1HD2 ASN 8 -1.186 -5.338 -15.018 60 2HD2 ASN 8 2HD2 ASN 8 -0.459 -6.313 -16.201 61 H CYS 9 H CYS 9 0.913 -3.606 -13.555 62 HA CYS 9 HA CYS 9 0.125 -1.698 -11.543 63 1HB CYS 9 2HB CYS 9 1.610 -1.271 -13.578 64 2HB CYS 9 1HB CYS 9 0.136 -1.252 -14.541 65 HA PRO 10 HA PRO 10 -4.250 -2.405 -12.158 66 1HB PRO 10 2HB PRO 10 -5.038 -0.777 -10.086 67 2HB PRO 10 1HB PRO 10 -4.461 -2.438 -9.872 68 1HG PRO 10 2HG PRO 10 -3.055 0.126 -9.295 69 2HG PRO 10 1HG PRO 10 -2.830 -1.467 -8.557 70 1HD PRO 10 2HD PRO 10 -1.159 -0.300 -10.519 71 2HD PRO 10 1HD PRO 10 -1.149 -2.003 -10.016 72 H THR 11 H THR 11 -2.510 0.542 -12.559 73 HA THR 11 HA THR 11 -4.895 2.156 -13.188 74 HB THR 11 HB THR 11 -1.934 2.780 -13.401 75 HG1 THR 11 HG1 THR 11 -2.142 3.267 -11.390 76 1HG2 THR 11 1HG2 THR 11 -2.908 5.183 -13.461 77 2HG2 THR 11 2HG2 THR 11 -4.412 4.405 -13.955 78 3HG2 THR 11 3HG2 THR 11 -2.963 4.232 -14.947 79 H CYS 12 H CYS 12 -2.006 0.996 -14.992 80 HA CYS 12 HA CYS 12 -3.560 1.410 -17.512 81 1HB CYS 12 2HB CYS 12 -1.437 1.547 -18.665 82 2HB CYS 12 1HB CYS 12 -1.384 2.632 -17.277 83 H GLY 13 H GLY 13 -1.790 -1.003 -15.634 84 1HA GLY 13 2HA GLY 13 -2.302 -3.366 -15.805 85 2HA GLY 13 1HA GLY 13 -2.860 -3.098 -17.458 86 H LYS 14 H LYS 14 0.085 -2.964 -15.459 87 HA LYS 14 HA LYS 14 1.622 -4.024 -17.783 88 1HB LYS 14 2HB LYS 14 1.827 -1.386 -16.677 89 2HB LYS 14 1HB LYS 14 3.310 -2.263 -16.303 90 1HG LYS 14 2HG LYS 14 2.712 -2.955 -18.955 91 2HG LYS 14 1HG LYS 14 2.394 -1.222 -18.849 92 1HD LYS 14 2HD LYS 14 4.603 -0.820 -18.894 93 2HD LYS 14 1HD LYS 14 4.797 -1.746 -17.405 94 1HE LYS 14 2HE LYS 14 4.568 -3.797 -19.123 95 2HE LYS 14 1HE LYS 14 5.222 -2.590 -20.232 96 1HZ LYS 14 1HZ LYS 14 7.101 -2.284 -18.865 97 2HZ LYS 14 2HZ LYS 14 6.896 -3.963 -19.021 98 3HZ LYS 14 3HZ LYS 14 6.427 -3.178 -17.588 99 H THR 15 H THR 15 2.872 -5.740 -17.180 100 HA THR 15 HA THR 15 2.895 -6.637 -14.420 101 HB THR 15 HB THR 15 4.581 -7.663 -16.724 102 HG1 THR 15 HG1 THR 15 2.789 -8.382 -17.497 103 1HG2 THR 15 1HG2 THR 15 5.390 -8.620 -14.723 104 2HG2 THR 15 2HG2 THR 15 4.253 -9.820 -15.337 105 3HG2 THR 15 3HG2 THR 15 3.773 -8.741 -14.025 106 H VAL 16 H VAL 16 4.168 -5.715 -12.915 107 HA VAL 16 HA VAL 16 6.895 -4.778 -13.723 108 HB VAL 16 HB VAL 16 5.228 -3.796 -11.385 109 1HG1 VAL 16 1HG1 VAL 16 7.516 -3.383 -10.931 110 2HG1 VAL 16 2HG1 VAL 16 6.937 -1.874 -11.639 111 3HG1 VAL 16 3HG1 VAL 16 7.869 -3.006 -12.618 112 1HG2 VAL 16 1HG2 VAL 16 5.228 -3.091 -14.247 113 2HG2 VAL 16 2HG2 VAL 16 5.458 -1.710 -13.174 114 3HG2 VAL 16 3HG2 VAL 16 4.031 -2.733 -13.002 115 H VAL 17 H VAL 17 8.556 -5.862 -12.791 116 HA VAL 17 HA VAL 17 8.194 -8.137 -11.136 117 HB VAL 17 HB VAL 17 10.216 -7.624 -12.547 118 1HG1 VAL 17 1HG1 VAL 17 10.321 -5.234 -11.431 119 2HG1 VAL 17 2HG1 VAL 17 11.809 -6.052 -11.915 120 3HG1 VAL 17 3HG1 VAL 17 11.302 -6.067 -10.223 121 1HG2 VAL 17 1HG2 VAL 17 10.073 -8.853 -9.936 122 2HG2 VAL 17 2HG2 VAL 17 11.679 -8.170 -10.190 123 3HG2 VAL 17 3HG2 VAL 17 11.026 -9.341 -11.337 124 H TRP 18 H TRP 18 8.207 -8.456 -8.941 125 HA TRP 18 HA TRP 18 8.259 -6.012 -7.216 126 1HB TRP 18 2HB TRP 18 6.090 -7.213 -7.271 127 2HB TRP 18 1HB TRP 18 6.900 -8.685 -6.739 128 HD1 TRP 18 HD1 TRP 18 7.234 -9.005 -4.217 129 HE1 TRP 18 HE1 TRP 18 6.844 -7.543 -2.131 130 HE3 TRP 18 HE3 TRP 18 6.134 -4.546 -6.454 131 HZ2 TRP 18 HZ2 TRP 18 6.159 -4.842 -1.494 132 HZ3 TRP 18 HZ3 TRP 18 5.618 -2.549 -5.082 133 HH2 TRP 18 HH2 TRP 18 5.629 -2.691 -2.608 134 H GLY 19 H GLY 19 9.285 -6.230 -5.113 135 1HA GLY 19 2HA GLY 19 10.543 -7.760 -3.555 136 2HA GLY 19 1HA GLY 19 11.319 -8.424 -4.994 137 H GLU 20 H GLU 20 13.138 -7.421 -5.770 138 HA GLU 20 HA GLU 20 13.731 -4.623 -5.102 139 1HB GLU 20 2HB GLU 20 14.764 -6.792 -3.495 140 2HB GLU 20 1HB GLU 20 16.093 -5.982 -4.323 141 1HG GLU 20 2HG GLU 20 13.970 -4.322 -3.004 142 2HG GLU 20 1HG GLU 20 15.226 -5.060 -2.009 143 H ILE 21 H ILE 21 13.291 -5.580 -7.584 144 HA ILE 21 HA ILE 21 16.006 -5.927 -8.788 145 HB ILE 21 HB ILE 21 13.288 -6.783 -9.831 146 1HG1 ILE 21 2HG1 ILE 21 14.938 -8.993 -9.721 147 2HG1 ILE 21 1HG1 ILE 21 15.433 -8.090 -8.289 148 1HG2 ILE 21 1HG2 ILE 21 14.984 -5.985 -11.566 149 2HG2 ILE 21 2HG2 ILE 21 14.406 -7.640 -11.761 150 3HG2 ILE 21 3HG2 ILE 21 15.997 -7.338 -11.060 151 1HD1 ILE 21 1HD1 ILE 21 12.898 -7.855 -7.810 152 2HD1 ILE 21 2HD1 ILE 21 13.646 -9.427 -7.520 153 3HD1 ILE 21 3HD1 ILE 21 12.700 -9.156 -8.983 154 H SER 22 H SER 22 12.787 -4.568 -9.536 155 HA SER 22 HA SER 22 14.012 -2.607 -11.372 156 1HB SER 22 2HB SER 22 11.670 -1.970 -11.854 157 2HB SER 22 1HB SER 22 11.902 -3.706 -12.016 158 HG SER 22 HG SER 22 10.069 -2.656 -10.643 159 HA PRO 23 HA PRO 23 13.987 0.760 -8.532 160 1HB PRO 23 2HB PRO 23 13.372 2.843 -10.226 161 2HB PRO 23 1HB PRO 23 14.955 2.049 -10.182 162 1HG PRO 23 2HG PRO 23 12.778 1.789 -12.206 163 2HG PRO 23 1HG PRO 23 14.527 1.583 -12.405 164 1HD PRO 23 2HD PRO 23 12.646 -0.506 -12.184 165 2HD PRO 23 1HD PRO 23 14.405 -0.672 -12.002 166 H PHE 24 H PHE 24 11.151 0.343 -10.604 167 HA PHE 24 HA PHE 24 9.456 1.639 -8.506 168 1HB PHE 24 2HB PHE 24 9.641 2.344 -11.168 169 2HB PHE 24 1HB PHE 24 8.261 1.249 -11.177 170 HD1 PHE 24 HD1 PHE 24 6.155 2.101 -10.645 171 HD2 PHE 24 HD2 PHE 24 9.657 4.108 -9.183 172 HE1 PHE 24 HE1 PHE 24 4.730 3.887 -9.686 173 HE2 PHE 24 HE2 PHE 24 8.231 5.895 -8.224 174 HZ PHE 24 HZ PHE 24 5.767 5.784 -8.476 175 H ARG 25 H ARG 25 9.770 -0.661 -7.580 176 HA ARG 25 HA ARG 25 8.731 -2.995 -8.759 177 1HB ARG 25 2HB ARG 25 9.220 -2.078 -5.988 178 2HB ARG 25 1HB ARG 25 8.036 -3.371 -6.150 179 1HG ARG 25 2HG ARG 25 9.875 -4.718 -6.140 180 2HG ARG 25 1HG ARG 25 9.973 -4.265 -7.840 181 1HD ARG 25 2HD ARG 25 12.144 -3.865 -6.919 182 2HD ARG 25 1HD ARG 25 11.386 -2.285 -7.109 183 HE ARG 25 HE ARG 25 11.488 -3.712 -4.481 184 1HH1 ARG 25 1HH2 ARG 25 13.662 -1.749 -5.060 185 2HH1 ARG 25 2HH2 ARG 25 13.032 -0.287 -4.379 186 1HH2 ARG 25 2HH1 ARG 25 9.772 -1.466 -4.208 187 2HH2 ARG 25 1HH1 ARG 25 10.823 -0.126 -3.896 188 HA PRO 26 HA PRO 26 4.373 -1.906 -7.119 189 1HB PRO 26 2HB PRO 26 4.011 0.561 -5.955 190 2HB PRO 26 1HB PRO 26 4.447 -0.895 -5.043 191 1HG PRO 26 2HG PRO 26 6.158 1.428 -5.804 192 2HG PRO 26 1HG PRO 26 6.311 0.326 -4.426 193 1HD PRO 26 2HD PRO 26 7.848 0.227 -6.791 194 2HD PRO 26 1HD PRO 26 7.727 -1.061 -5.574 195 H PHE 27 H PHE 27 3.196 -1.476 -8.952 196 HA PHE 27 HA PHE 27 2.315 -0.359 -10.816 197 1HB PHE 27 2HB PHE 27 3.492 2.041 -9.382 198 2HB PHE 27 1HB PHE 27 2.598 2.164 -10.894 199 HD1 PHE 27 HD1 PHE 27 0.239 2.154 -10.918 200 HD2 PHE 27 HD2 PHE 27 2.340 0.941 -7.375 201 HE1 PHE 27 HE1 PHE 27 -1.896 2.121 -9.661 202 HE2 PHE 27 HE2 PHE 27 0.204 0.908 -6.120 203 HZ PHE 27 HZ PHE 27 -1.915 1.499 -7.263 204 H CYS 28 H CYS 28 3.096 0.881 -12.822 205 HA CYS 28 HA CYS 28 5.886 0.034 -13.385 206 1HB CYS 28 2HB CYS 28 5.282 0.279 -15.743 207 2HB CYS 28 1HB CYS 28 4.071 -0.700 -14.914 208 H SER 29 H SER 29 3.870 2.958 -13.333 209 HA SER 29 HA SER 29 6.375 4.565 -13.588 210 1HB SER 29 2HB SER 29 4.106 4.518 -15.410 211 2HB SER 29 1HB SER 29 4.339 6.125 -14.727 212 HG SER 29 HG SER 29 5.760 6.156 -16.320 213 H LYS 30 H LYS 30 6.130 6.767 -12.674 214 HA LYS 30 HA LYS 30 4.824 6.739 -10.116 215 1HB LYS 30 2HB LYS 30 6.734 8.350 -11.397 216 2HB LYS 30 1HB LYS 30 5.369 9.425 -11.097 217 1HG LYS 30 2HG LYS 30 6.118 7.611 -8.866 218 2HG LYS 30 1HG LYS 30 7.256 8.908 -9.235 219 1HD LYS 30 2HD LYS 30 4.802 10.194 -9.347 220 2HD LYS 30 1HD LYS 30 4.598 9.058 -8.010 221 1HE LYS 30 2HE LYS 30 6.541 9.910 -6.882 222 2HE LYS 30 1HE LYS 30 7.001 10.880 -8.283 223 1HZ LYS 30 1HZ LYS 30 5.889 12.494 -7.240 224 2HZ LYS 30 2HZ LYS 30 5.053 11.416 -6.225 225 3HZ LYS 30 3HZ LYS 30 4.488 11.728 -7.798 226 H ARG 31 H ARG 31 3.953 8.144 -13.261 227 HA ARG 31 HA ARG 31 1.680 9.639 -12.384 228 1HB ARG 31 2HB ARG 31 2.862 9.685 -14.682 229 2HB ARG 31 1HB ARG 31 1.870 8.280 -15.075 230 1HG ARG 31 2HG ARG 31 0.345 9.835 -15.730 231 2HG ARG 31 1HG ARG 31 -0.006 9.942 -14.005 232 1HD ARG 31 2HD ARG 31 2.288 11.583 -14.703 233 2HD ARG 31 1HD ARG 31 0.871 12.020 -15.661 234 HE ARG 31 HE ARG 31 0.985 12.067 -12.679 235 1HH1 ARG 31 1HH2 ARG 31 0.789 14.631 -14.144 236 2HH1 ARG 31 2HH2 ARG 31 -0.915 14.940 -14.159 237 1HH2 ARG 31 2HH1 ARG 31 -1.778 11.670 -13.379 238 2HH2 ARG 31 1HH1 ARG 31 -2.371 13.259 -13.725 239 H CYS 32 H CYS 32 2.030 6.247 -13.447 240 HA CYS 32 HA CYS 32 -0.752 5.593 -13.444 241 1HB CYS 32 2HB CYS 32 1.796 4.046 -13.268 242 2HB CYS 32 1HB CYS 32 0.312 3.226 -12.785 243 H GLN 33 H GLN 33 1.723 5.148 -10.884 244 HA GLN 33 HA GLN 33 -0.052 4.213 -8.857 245 1HB GLN 33 2HB GLN 33 2.464 4.176 -8.736 246 2HB GLN 33 1HB GLN 33 2.428 5.915 -8.450 247 1HG GLN 33 2HG GLN 33 1.164 5.617 -6.407 248 2HG GLN 33 1HG GLN 33 0.972 3.893 -6.725 249 1HE2 GLN 33 1HE2 GLN 33 2.508 2.566 -5.745 250 2HE2 GLN 33 2HE2 GLN 33 4.026 3.083 -5.192 251 H LEU 34 H LEU 34 0.765 7.466 -9.966 252 HA LEU 34 HA LEU 34 -0.499 8.920 -7.836 253 1HB LEU 34 2HB LEU 34 1.046 9.622 -9.974 254 2HB LEU 34 1HB LEU 34 -0.542 10.112 -10.558 255 HG LEU 34 HG LEU 34 -0.884 11.416 -8.471 256 1HD1 LEU 34 1HD1 LEU 34 1.709 10.107 -7.820 257 2HD1 LEU 34 2HD1 LEU 34 0.392 10.590 -6.749 258 3HD1 LEU 34 3HD1 LEU 34 1.543 11.795 -7.332 259 1HD2 LEU 34 1HD2 LEU 34 0.985 13.112 -8.959 260 2HD2 LEU 34 2HD2 LEU 34 -0.057 12.671 -10.313 261 3HD2 LEU 34 3HD2 LEU 34 1.554 11.964 -10.173 262 H ILE 35 H ILE 35 -1.669 8.566 -11.213 263 HA ILE 35 HA ILE 35 -4.320 9.368 -10.800 264 HB ILE 35 HB ILE 35 -3.302 7.233 -12.702 265 1HG1 ILE 35 2HG1 ILE 35 -4.001 10.027 -13.517 266 2HG1 ILE 35 1HG1 ILE 35 -2.479 9.784 -12.661 267 1HG2 ILE 35 1HG2 ILE 35 -5.657 6.981 -12.655 268 2HG2 ILE 35 2HG2 ILE 35 -5.368 8.061 -14.020 269 3HG2 ILE 35 3HG2 ILE 35 -5.923 8.716 -12.479 270 1HD1 ILE 35 1HD1 ILE 35 -1.538 8.609 -14.388 271 2HD1 ILE 35 2HD1 ILE 35 -2.708 9.523 -15.341 272 3HD1 ILE 35 3HD1 ILE 35 -3.070 7.865 -14.852 273 H ASP 36 H ASP 36 -2.847 6.260 -9.993 274 HA ASP 36 HA ASP 36 -5.135 4.643 -9.702 275 1HB ASP 36 2HB ASP 36 -2.642 4.039 -9.350 276 2HB ASP 36 1HB ASP 36 -2.882 4.598 -7.694 277 H LEU 37 H LEU 37 -3.731 6.962 -7.364 278 HA LEU 37 HA LEU 37 -5.634 6.464 -5.265 279 1HB LEU 37 2HB LEU 37 -3.781 8.735 -5.945 280 2HB LEU 37 1HB LEU 37 -4.967 8.936 -4.659 281 HG LEU 37 HG LEU 37 -3.545 6.386 -4.473 282 1HD1 LEU 37 1HD1 LEU 37 -1.377 7.310 -3.827 283 2HD1 LEU 37 2HD1 LEU 37 -1.946 8.947 -4.164 284 3HD1 LEU 37 3HD1 LEU 37 -1.748 7.791 -5.484 285 1HD2 LEU 37 1HD2 LEU 37 -4.714 8.433 -2.806 286 2HD2 LEU 37 2HD2 LEU 37 -3.078 8.079 -2.244 287 3HD2 LEU 37 3HD2 LEU 37 -4.268 6.782 -2.375 288 H GLY 38 H GLY 38 -5.456 9.188 -7.600 289 1HA GLY 38 2HA GLY 38 -7.432 9.829 -8.919 290 2HA GLY 38 1HA GLY 38 -8.445 9.264 -7.594 291 H GLU 39 H GLU 39 -5.579 11.190 -6.929 292 HA GLU 39 HA GLU 39 -7.351 13.532 -6.343 293 1HB GLU 39 2HB GLU 39 -5.111 12.329 -4.704 294 2HB GLU 39 1HB GLU 39 -5.666 13.984 -4.450 295 1HG GLU 39 2HG GLU 39 -7.507 11.577 -4.405 296 2HG GLU 39 1HG GLU 39 -6.778 12.272 -2.958 297 H TRP 40 H TRP 40 -5.960 13.173 -8.796 298 HA TRP 40 HA TRP 40 -4.017 15.425 -8.636 299 1HB TRP 40 2HB TRP 40 -3.481 13.143 -10.511 300 2HB TRP 40 1HB TRP 40 -2.347 14.299 -9.807 301 HD1 TRP 40 HD1 TRP 40 -3.926 10.957 -9.233 302 HE1 TRP 40 HE1 TRP 40 -3.095 9.963 -7.012 303 HE3 TRP 40 HE3 TRP 40 -1.537 15.021 -7.267 304 HZ2 TRP 40 HZ2 TRP 40 -1.624 10.761 -4.712 305 HZ3 TRP 40 HZ3 TRP 40 -0.427 14.873 -5.053 306 HH2 TRP 40 HH2 TRP 40 -0.468 12.748 -3.772 307 H ALA 41 H ALA 41 -5.451 13.271 -11.106 308 HA ALA 41 HA ALA 41 -6.145 15.692 -12.713 309 1HB ALA 41 1HB ALA 41 -5.944 12.774 -13.529 310 2HB ALA 41 2HB ALA 41 -4.759 14.032 -13.884 311 3HB ALA 41 3HB ALA 41 -6.366 14.103 -14.610 312 H ALA 42 H ALA 42 -8.244 16.309 -12.637 313 HA ALA 42 HA ALA 42 -10.564 16.242 -12.355 314 1HB ALA 42 1HB ALA 42 -11.267 14.894 -14.024 315 2HB ALA 42 2HB ALA 42 -11.268 13.568 -12.860 316 3HB ALA 42 3HB ALA 42 -9.847 13.860 -13.865 317 H GLU 43 H GLU 43 -10.343 16.544 -10.068 318 HA GLU 43 HA GLU 43 -10.187 14.208 -8.302 319 1HB GLU 43 2HB GLU 43 -10.082 17.145 -8.020 320 2HB GLU 43 1HB GLU 43 -10.864 16.308 -6.677 321 1HG GLU 43 2HG GLU 43 -8.545 16.370 -6.116 322 2HG GLU 43 1HG GLU 43 -8.852 14.727 -6.673 323 H GLU 44 H GLU 44 -11.922 12.997 -7.867 324 HA GLU 44 HA GLU 44 -14.645 14.060 -8.303 325 1HB GLU 44 2HB GLU 44 -13.553 11.309 -7.651 326 2HB GLU 44 1HB GLU 44 -15.276 11.657 -7.764 327 1HG GLU 44 2HG GLU 44 -15.180 11.459 -10.000 328 2HG GLU 44 1HG GLU 44 -14.005 12.772 -10.070 329 H LYS 45 H LYS 45 -15.226 15.348 -6.578 330 HA LYS 45 HA LYS 45 -14.978 14.161 -3.840 331 1HB LYS 45 2HB LYS 45 -14.917 17.074 -4.690 332 2HB LYS 45 1HB LYS 45 -14.973 16.527 -3.013 333 1HG LYS 45 2HG LYS 45 -12.864 15.413 -4.826 334 2HG LYS 45 1HG LYS 45 -12.652 17.037 -4.171 335 1HD LYS 45 2HD LYS 45 -12.399 16.285 -2.016 336 2HD LYS 45 1HD LYS 45 -13.484 14.914 -2.253 337 1HE LYS 45 2HE LYS 45 -11.284 14.472 -3.983 338 2HE LYS 45 1HE LYS 45 -10.604 15.001 -2.444 339 1HZ LYS 45 1HZ LYS 45 -12.577 13.266 -1.722 340 2HZ LYS 45 2HZ LYS 45 -10.913 12.926 -1.782 341 3HZ LYS 45 3HZ LYS 45 -11.905 12.544 -3.107 342 H ARG 46 H ARG 46 -16.967 13.328 -3.443 343 HA ARG 46 HA ARG 46 -19.359 14.775 -4.404 344 1HB ARG 46 2HB ARG 46 -18.704 12.001 -3.714 345 2HB ARG 46 1HB ARG 46 -20.268 12.529 -3.089 346 1HG ARG 46 2HG ARG 46 -21.180 12.508 -5.145 347 2HG ARG 46 1HG ARG 46 -19.865 13.485 -5.795 348 1HD ARG 46 2HD ARG 46 -19.278 10.622 -5.201 349 2HD ARG 46 1HD ARG 46 -20.279 10.980 -6.612 350 HE ARG 46 HE ARG 46 -18.351 12.578 -7.261 351 1HH1 ARG 46 2HH1 ARG 46 -16.551 12.031 -4.998 352 2HH1 ARG 46 1HH1 ARG 46 -15.531 10.770 -5.606 353 1HH2 ARG 46 1HH2 ARG 46 -17.669 9.954 -8.217 354 2HH2 ARG 46 2HH2 ARG 46 -16.163 9.597 -7.441 355 H ILE 47 H ILE 47 -19.565 16.508 -2.977 356 HA ILE 47 HA ILE 47 -19.935 15.816 -0.094 357 HB ILE 47 HB ILE 47 -19.443 18.516 -1.392 358 1HG1 ILE 47 2HG1 ILE 47 -17.444 17.842 0.513 359 2HG1 ILE 47 1HG1 ILE 47 -17.636 16.439 -0.539 360 1HG2 ILE 47 1HG2 ILE 47 -19.848 17.667 1.488 361 2HG2 ILE 47 2HG2 ILE 47 -20.818 18.809 0.554 362 3HG2 ILE 47 3HG2 ILE 47 -19.172 19.232 1.029 363 1HD1 ILE 47 1HD1 ILE 47 -17.470 17.978 -2.517 364 2HD1 ILE 47 2HD1 ILE 47 -15.999 17.922 -1.543 365 3HD1 ILE 47 3HD1 ILE 47 -17.102 19.294 -1.406 366 HA PRO 48 HA PRO 48 -24.160 16.479 -1.629 367 1HB PRO 48 2HB PRO 48 -25.318 15.010 0.400 368 2HB PRO 48 1HB PRO 48 -24.732 14.317 -1.122 369 1HG PRO 48 2HG PRO 48 -23.484 14.235 1.592 370 2HG PRO 48 1HG PRO 48 -23.370 13.065 0.265 371 1HD PRO 48 2HD PRO 48 -21.374 14.911 0.928 372 2HD PRO 48 1HD PRO 48 -21.530 14.093 -0.642 373 H SER 49 H SER 49 -22.626 17.140 1.447 374 HA SER 49 HA SER 49 -23.134 18.673 3.156 375 1HB SER 49 2HB SER 49 -23.268 19.933 0.661 376 2HB SER 49 1HB SER 49 -24.751 20.439 1.459 377 HG SER 49 HG SER 49 -22.302 21.323 1.847 378 H SER 50 H SER 50 -25.713 20.347 2.975 379 HA SER 50 HA SER 50 -27.565 18.116 3.708 380 1HB SER 50 2HB SER 50 -28.707 20.412 4.747 381 2HB SER 50 1HB SER 50 -27.782 19.229 5.660 382 HG SER 50 HG SER 50 -27.004 21.379 5.891 383 H GLY 51 H GLY 51 -29.178 17.816 2.277 384 1HA GLY 51 2HA GLY 51 -29.641 18.992 -0.127 385 2HA GLY 51 1HA GLY 51 -30.987 18.392 0.840 386 H ASP 52 H ASP 52 -31.622 20.041 2.671 387 HA ASP 52 HA ASP 52 -31.250 22.858 1.875 388 1HB ASP 52 2HB ASP 52 -33.234 22.000 0.567 389 2HB ASP 52 1HB ASP 52 -34.042 21.697 2.105 390 H LEU 53 H LEU 53 -31.378 24.215 3.646 391 HA LEU 53 HA LEU 53 -32.116 22.916 6.238 392 1HB LEU 53 2HB LEU 53 -30.070 25.063 5.610 393 2HB LEU 53 1HB LEU 53 -30.556 24.632 7.251 394 HG LEU 53 HG LEU 53 -30.041 22.165 6.191 395 1HD1 LEU 53 1HD1 LEU 53 -28.646 22.244 4.434 396 2HD1 LEU 53 2HD1 LEU 53 -27.566 23.352 5.283 397 3HD1 LEU 53 3HD1 LEU 53 -28.923 23.984 4.350 398 1HD2 LEU 53 1HD2 LEU 53 -29.094 23.747 8.223 399 2HD2 LEU 53 2HD2 LEU 53 -27.646 23.518 7.243 400 3HD2 LEU 53 3HD2 LEU 53 -28.515 22.117 7.872 401 H SER 54 H SER 54 -34.299 23.547 6.150 402 HA SER 54 HA SER 54 -36.096 24.947 6.665 403 1HB SER 54 2HB SER 54 -33.955 26.032 8.069 404 2HB SER 54 1HB SER 54 -34.569 27.404 7.153 405 HG SER 54 HG SER 54 -35.559 26.912 9.277 406 H GLU 55 H GLU 55 -33.757 27.317 5.321 407 HA GLU 55 HA GLU 55 -35.643 27.707 3.028 408 1HB GLU 55 2HB GLU 55 -34.300 29.693 4.833 409 2HB GLU 55 1HB GLU 55 -34.593 30.133 3.152 410 1HG GLU 55 2HG GLU 55 -36.604 30.811 4.026 411 2HG GLU 55 1HG GLU 55 -37.012 29.122 3.728 412 H SER 56 H SER 56 -32.272 28.394 4.077 413 HA SER 56 HA SER 56 -31.324 28.564 1.343 414 1HB SER 56 2HB SER 56 -30.321 29.351 3.786 415 2HB SER 56 1HB SER 56 -29.303 27.968 3.391 416 HG SER 56 HG SER 56 -28.312 29.403 2.209 417 H ASP 57 H ASP 57 -30.535 26.985 0.059 418 HA ASP 57 HA ASP 57 -30.881 24.203 0.785 419 1HB ASP 57 2HB ASP 57 -30.052 25.736 -1.610 420 2HB ASP 57 1HB ASP 57 -29.350 24.125 -1.480 421 H ASP 58 H ASP 58 -28.049 26.324 0.390 422 HA ASP 58 HA ASP 58 -26.134 24.201 1.018 423 1HB ASP 58 2HB ASP 58 -26.092 27.000 0.161 424 2HB ASP 58 1HB ASP 58 -24.842 26.640 1.350 425 H TRP 59 H TRP 59 -24.539 24.576 2.883 426 HA TRP 59 HA TRP 59 -25.988 24.880 5.406 427 1HB TRP 59 2HB TRP 59 -23.807 23.434 4.698 428 2HB TRP 59 1HB TRP 59 -23.001 24.859 5.343 429 HD1 TRP 59 HD1 TRP 59 -25.612 22.224 6.411 430 HE1 TRP 59 HE1 TRP 59 -25.483 21.934 8.963 431 HE3 TRP 59 HE3 TRP 59 -22.172 25.827 7.547 432 HZ2 TRP 59 HZ2 TRP 59 -24.107 23.062 11.186 433 HZ3 TRP 59 HZ3 TRP 59 -21.471 26.184 9.899 434 HH2 TRP 59 HH2 TRP 59 -22.435 24.806 11.713 435 H SER 60 H SER 60 -26.644 27.051 5.630 436 HA SER 60 HA SER 60 -24.430 29.068 5.636 437 1HB SER 60 2HB SER 60 -26.811 29.016 4.076 438 2HB SER 60 1HB SER 60 -26.979 30.326 5.241 439 HG SER 60 HG SER 60 -25.403 30.144 3.054 440 H GLU 61 H GLU 61 -25.610 27.458 7.934 441 HA GLU 61 HA GLU 61 -27.013 29.560 9.469 442 1HB GLU 61 2HB GLU 61 -26.160 26.785 10.339 443 2HB GLU 61 1HB GLU 61 -27.194 27.885 11.249 444 1HG GLU 61 2HG GLU 61 -28.798 26.580 10.200 445 2HG GLU 61 1HG GLU 61 -28.626 27.881 9.022 446 H GLU 62 H GLU 62 -24.204 27.448 10.216 447 HA GLU 62 HA GLU 62 -22.190 27.914 11.307 448 1HB GLU 62 2HB GLU 62 -22.959 30.711 10.452 449 2HB GLU 62 1HB GLU 62 -21.549 30.422 11.469 450 1HG GLU 62 2HG GLU 62 -20.657 30.352 9.291 451 2HG GLU 62 1HG GLU 62 -20.890 28.650 9.685 452 HA PRO 63 HA PRO 63 -24.278 28.236 15.203 453 1HB PRO 63 2HB PRO 63 -22.214 27.161 16.675 454 2HB PRO 63 1HB PRO 63 -23.376 26.207 15.738 455 1HG PRO 63 2HG PRO 63 -20.545 26.912 15.068 456 2HG PRO 63 1HG PRO 63 -21.463 25.452 14.661 457 1HD PRO 63 2HD PRO 63 -20.972 27.544 12.886 458 2HD PRO 63 1HD PRO 63 -22.302 26.375 12.725 459 H LYS 64 H LYS 64 -20.804 29.205 15.047 460 HA LYS 64 HA LYS 64 -21.268 31.201 17.175 461 1HB LYS 64 2HB LYS 64 -19.002 29.776 16.204 462 2HB LYS 64 1HB LYS 64 -18.698 31.492 15.922 463 1HG LYS 64 2HG LYS 64 -17.998 31.337 18.117 464 2HG LYS 64 1HG LYS 64 -19.702 31.705 18.365 465 1HD LYS 64 2HD LYS 64 -19.380 28.862 17.974 466 2HD LYS 64 1HD LYS 64 -18.306 29.417 19.266 467 1HE LYS 64 2HE LYS 64 -20.042 29.654 20.667 468 2HE LYS 64 1HE LYS 64 -20.882 30.695 19.513 469 1HZ LYS 64 1HZ LYS 64 -20.842 27.722 19.315 470 2HZ LYS 64 2HZ LYS 64 -21.807 28.814 18.426 471 3HZ LYS 64 3HZ LYS 64 -22.080 28.588 20.087 472 H GLN 65 HN GLN 65 -20.351 31.141 13.753 473 HA GLN 65 HA GLN 65 -20.777 34.086 13.630 474 1HB GLN 65 2HB GLN 65 -19.778 33.599 11.214 475 2HB GLN 65 1HB GLN 65 -18.735 33.781 12.619 476 1HG GLN 65 2HG GLN 65 -18.810 31.270 12.893 477 2HG GLN 65 1HG GLN 65 -19.654 31.191 11.341 478 1HE2 GLN 65 1HE2 GLN 65 -16.558 31.085 12.680 479 2HE2 GLN 65 2HE2 GLN 65 -15.672 31.563 11.315 Start of MODEL 7 1 H MET 1 1H MET 1 15.734 -22.570 -8.007 2 HA MET 1 HA MET 1 15.257 -22.350 -5.728 3 1HB MET 1 2HB MET 1 17.638 -21.352 -6.923 4 2HB MET 1 1HB MET 1 17.291 -20.334 -5.528 5 1HG MET 1 2HG MET 1 16.789 -22.707 -4.405 6 2HG MET 1 1HG MET 1 17.918 -23.248 -5.645 7 1HE MET 1 1HE MET 1 20.003 -23.876 -3.464 8 2HE MET 1 2HE MET 1 21.071 -22.887 -4.452 9 3HE MET 1 3HE MET 1 19.738 -23.753 -5.209 10 H SER 2 H SER 2 16.129 -18.935 -6.467 11 HA SER 2 HA SER 2 13.902 -18.112 -4.685 12 1HB SER 2 2HB SER 2 16.510 -17.076 -5.179 13 2HB SER 2 1HB SER 2 15.353 -15.865 -5.716 14 HG SER 2 HG SER 2 15.148 -17.198 -3.221 15 H GLU 3 H GLU 3 12.029 -17.372 -5.496 16 HA GLU 3 HA GLU 3 11.862 -16.818 -8.420 17 1HB GLU 3 2HB GLU 3 9.992 -17.911 -6.372 18 2HB GLU 3 1HB GLU 3 9.293 -17.001 -7.710 19 1HG GLU 3 2HG GLU 3 9.348 -19.054 -8.733 20 2HG GLU 3 1HG GLU 3 11.006 -18.571 -9.090 21 H THR 4 H THR 4 11.385 -14.803 -9.121 22 HA THR 4 HA THR 4 10.719 -12.706 -7.112 23 HB THR 4 HB THR 4 11.474 -12.314 -10.022 24 HG1 THR 4 HG1 THR 4 13.363 -11.857 -8.056 25 1HG2 THR 4 1HG2 THR 4 12.204 -10.073 -9.107 26 2HG2 THR 4 2HG2 THR 4 11.448 -10.525 -7.580 27 3HG2 THR 4 3HG2 THR 4 10.466 -10.363 -9.035 28 H ILE 5 H ILE 5 8.525 -12.377 -6.906 29 HA ILE 5 HA ILE 5 6.678 -13.152 -9.046 30 HB ILE 5 HB ILE 5 4.907 -12.267 -7.539 31 1HG1 ILE 5 2HG1 ILE 5 6.726 -11.855 -5.264 32 2HG1 ILE 5 1HG1 ILE 5 6.907 -10.642 -6.532 33 1HG2 ILE 5 1HG2 ILE 5 6.991 -14.086 -6.313 34 2HG2 ILE 5 2HG2 ILE 5 5.546 -14.556 -7.205 35 3HG2 ILE 5 3HG2 ILE 5 5.396 -13.827 -5.607 36 1HD1 ILE 5 1HD1 ILE 5 4.941 -10.651 -4.561 37 2HD1 ILE 5 2HD1 ILE 5 4.100 -11.259 -5.986 38 3HD1 ILE 5 3HD1 ILE 5 4.912 -9.695 -6.043 39 H THR 6 H THR 6 5.061 -11.534 -9.937 40 HA THR 6 HA THR 6 6.318 -8.833 -10.228 41 HB THR 6 HB THR 6 5.430 -8.854 -12.594 42 HG1 THR 6 HG1 THR 6 4.049 -10.433 -12.849 43 1HG2 THR 6 1HG2 THR 6 7.532 -9.424 -13.139 44 2HG2 THR 6 2HG2 THR 6 7.202 -11.118 -12.778 45 3HG2 THR 6 3HG2 THR 6 7.754 -10.037 -11.501 46 H VAL 7 H VAL 7 5.005 -7.270 -9.491 47 HA VAL 7 HA VAL 7 2.123 -7.741 -9.104 48 HB VAL 7 HB VAL 7 3.474 -6.508 -7.398 49 1HG1 VAL 7 1HG1 VAL 7 3.510 -3.986 -8.888 50 2HG1 VAL 7 2HG1 VAL 7 4.562 -5.208 -9.598 51 3HG1 VAL 7 3HG1 VAL 7 4.776 -4.734 -7.915 52 1HG2 VAL 7 1HG2 VAL 7 0.923 -6.010 -8.177 53 2HG2 VAL 7 2HG2 VAL 7 1.627 -4.411 -8.408 54 3HG2 VAL 7 3HG2 VAL 7 1.694 -5.183 -6.824 55 H ASN 8 H ASN 8 0.506 -6.898 -10.412 56 HA ASN 8 HA ASN 8 1.388 -5.618 -12.931 57 1HB ASN 8 2HB ASN 8 -0.347 -7.598 -12.625 58 2HB ASN 8 1HB ASN 8 -1.480 -6.271 -12.367 59 1HD2 ASN 8 1HD2 ASN 8 0.789 -7.667 -14.752 60 2HD2 ASN 8 2HD2 ASN 8 0.136 -6.854 -16.093 61 H CYS 9 H CYS 9 0.952 -3.524 -13.461 62 HA CYS 9 HA CYS 9 0.200 -1.620 -11.449 63 1HB CYS 9 2HB CYS 9 1.622 -1.180 -13.516 64 2HB CYS 9 1HB CYS 9 0.130 -1.199 -14.453 65 HA PRO 10 HA PRO 10 -4.196 -2.330 -11.924 66 1HB PRO 10 2HB PRO 10 -4.923 -0.691 -9.838 67 2HB PRO 10 1HB PRO 10 -4.348 -2.354 -9.636 68 1HG PRO 10 2HG PRO 10 -2.912 0.206 -9.108 69 2HG PRO 10 1HG PRO 10 -2.678 -1.385 -8.366 70 1HD PRO 10 2HD PRO 10 -1.046 -0.244 -10.374 71 2HD PRO 10 1HD PRO 10 -1.044 -1.947 -9.873 72 H THR 11 H THR 11 -2.460 0.555 -12.516 73 HA THR 11 HA THR 11 -4.882 2.171 -13.060 74 HB THR 11 HB THR 11 -1.931 2.834 -13.313 75 HG1 THR 11 HG1 THR 11 -2.121 3.340 -11.304 76 1HG2 THR 11 1HG2 THR 11 -4.438 4.352 -13.948 77 2HG2 THR 11 2HG2 THR 11 -2.897 4.332 -14.805 78 3HG2 THR 11 3HG2 THR 11 -3.055 5.228 -13.294 79 H CYS 12 H CYS 12 -1.990 1.045 -14.880 80 HA CYS 12 HA CYS 12 -3.561 1.415 -17.396 81 1HB CYS 12 2HB CYS 12 -1.458 1.573 -18.559 82 2HB CYS 12 1HB CYS 12 -1.363 2.628 -17.150 83 H GLY 13 H GLY 13 -1.878 -0.988 -15.453 84 1HA GLY 13 2HA GLY 13 -2.309 -3.354 -15.621 85 2HA GLY 13 1HA GLY 13 -2.905 -3.105 -17.266 86 H LYS 14 H LYS 14 0.054 -3.009 -15.307 87 HA LYS 14 HA LYS 14 1.595 -3.941 -17.685 88 1HB LYS 14 2HB LYS 14 1.781 -1.413 -17.218 89 2HB LYS 14 1HB LYS 14 2.667 -1.870 -15.764 90 1HG LYS 14 2HG LYS 14 4.535 -2.229 -16.962 91 2HG LYS 14 1HG LYS 14 3.682 -3.349 -18.026 92 1HD LYS 14 2HD LYS 14 2.786 -0.735 -18.693 93 2HD LYS 14 1HD LYS 14 4.543 -0.664 -18.573 94 1HE LYS 14 2HE LYS 14 4.675 -1.622 -20.601 95 2HE LYS 14 1HE LYS 14 3.955 -3.080 -19.917 96 1HZ LYS 14 1HZ LYS 14 2.398 -0.760 -20.926 97 2HZ LYS 14 2HZ LYS 14 1.779 -2.258 -20.407 98 3HZ LYS 14 3HZ LYS 14 2.714 -2.162 -21.825 99 H THR 15 H THR 15 2.860 -5.679 -17.177 100 HA THR 15 HA THR 15 2.906 -6.723 -14.460 101 HB THR 15 HB THR 15 4.494 -7.624 -16.887 102 HG1 THR 15 HG1 THR 15 2.618 -8.231 -17.562 103 1HG2 THR 15 1HG2 THR 15 5.432 -8.598 -14.909 104 2HG2 THR 15 2HG2 THR 15 4.407 -9.834 -15.635 105 3HG2 THR 15 3HG2 THR 15 3.835 -8.926 -14.236 106 H VAL 16 H VAL 16 4.130 -5.640 -12.990 107 HA VAL 16 HA VAL 16 6.873 -4.766 -13.793 108 HB VAL 16 HB VAL 16 5.232 -3.844 -11.416 109 1HG1 VAL 16 1HG1 VAL 16 7.719 -3.623 -11.251 110 2HG1 VAL 16 2HG1 VAL 16 6.892 -2.067 -11.278 111 3HG1 VAL 16 3HG1 VAL 16 7.697 -2.661 -12.729 112 1HG2 VAL 16 1HG2 VAL 16 4.023 -2.997 -13.238 113 2HG2 VAL 16 2HG2 VAL 16 5.461 -2.849 -14.247 114 3HG2 VAL 16 3HG2 VAL 16 5.181 -1.704 -12.939 115 H VAL 17 H VAL 17 8.544 -5.885 -12.942 116 HA VAL 17 HA VAL 17 8.279 -8.201 -11.368 117 HB VAL 17 HB VAL 17 10.271 -7.619 -12.730 118 1HG1 VAL 17 1HG1 VAL 17 11.892 -6.181 -11.000 119 2HG1 VAL 17 2HG1 VAL 17 10.341 -5.357 -10.876 120 3HG1 VAL 17 3HG1 VAL 17 11.114 -5.547 -12.447 121 1HG2 VAL 17 1HG2 VAL 17 11.580 -9.001 -11.484 122 2HG2 VAL 17 2HG2 VAL 17 10.163 -9.097 -10.440 123 3HG2 VAL 17 3HG2 VAL 17 11.467 -7.977 -10.053 124 H TRP 18 H TRP 18 8.192 -8.618 -9.205 125 HA TRP 18 HA TRP 18 8.244 -6.279 -7.334 126 1HB TRP 18 2HB TRP 18 5.995 -7.282 -7.610 127 2HB TRP 18 1HB TRP 18 6.641 -8.850 -7.129 128 HD1 TRP 18 HD1 TRP 18 6.892 -9.329 -4.598 129 HE1 TRP 18 HE1 TRP 18 6.429 -7.978 -2.453 130 HE3 TRP 18 HE3 TRP 18 6.035 -4.731 -6.631 131 HZ2 TRP 18 HZ2 TRP 18 5.782 -5.292 -1.701 132 HZ3 TRP 18 HZ3 TRP 18 5.500 -2.796 -5.183 133 HH2 TRP 18 HH2 TRP 18 5.371 -3.068 -2.723 134 H GLY 19 H GLY 19 9.094 -6.664 -5.202 135 1HA GLY 19 2HA GLY 19 10.064 -8.373 -3.616 136 2HA GLY 19 1HA GLY 19 10.911 -9.038 -5.014 137 H GLU 20 H GLU 20 12.962 -8.355 -5.268 138 HA GLU 20 HA GLU 20 13.684 -5.582 -4.491 139 1HB GLU 20 2HB GLU 20 14.351 -7.833 -2.910 140 2HB GLU 20 1HB GLU 20 15.830 -7.371 -3.753 141 1HG GLU 20 2HG GLU 20 14.072 -5.396 -2.270 142 2HG GLU 20 1HG GLU 20 15.475 -6.181 -1.548 143 H ILE 21 H ILE 21 13.943 -5.084 -6.686 144 HA ILE 21 HA ILE 21 16.456 -5.833 -7.897 145 HB ILE 21 HB ILE 21 15.360 -7.892 -8.460 146 1HG1 ILE 21 2HG1 ILE 21 14.986 -6.185 -10.929 147 2HG1 ILE 21 1HG1 ILE 21 16.587 -6.591 -10.309 148 1HG2 ILE 21 1HG2 ILE 21 13.164 -8.042 -9.413 149 2HG2 ILE 21 2HG2 ILE 21 13.083 -6.299 -9.662 150 3HG2 ILE 21 3HG2 ILE 21 13.035 -6.959 -8.028 151 1HD1 ILE 21 1HD1 ILE 21 15.591 -8.162 -12.100 152 2HD1 ILE 21 2HD1 ILE 21 14.512 -8.724 -10.825 153 3HD1 ILE 21 3HD1 ILE 21 16.255 -8.915 -10.652 154 H SER 22 H SER 22 13.190 -4.529 -8.505 155 HA SER 22 HA SER 22 14.380 -2.559 -10.401 156 1HB SER 22 2HB SER 22 11.718 -3.822 -10.096 157 2HB SER 22 1HB SER 22 11.697 -2.118 -10.543 158 HG SER 22 HG SER 22 11.869 -3.231 -12.430 159 HA PRO 23 HA PRO 23 13.750 0.774 -7.593 160 1HB PRO 23 2HB PRO 23 13.161 2.803 -9.356 161 2HB PRO 23 1HB PRO 23 14.787 2.134 -9.141 162 1HG PRO 23 2HG PRO 23 12.875 1.726 -11.392 163 2HG PRO 23 1HG PRO 23 14.644 1.628 -11.390 164 1HD PRO 23 2HD PRO 23 12.858 -0.572 -11.347 165 2HD PRO 23 1HD PRO 23 14.604 -0.635 -11.025 166 H PHE 24 H PHE 24 11.210 0.465 -10.098 167 HA PHE 24 HA PHE 24 9.207 1.467 -8.118 168 1HB PHE 24 2HB PHE 24 9.676 2.346 -10.692 169 2HB PHE 24 1HB PHE 24 8.350 1.210 -10.927 170 HD1 PHE 24 HD1 PHE 24 6.164 1.958 -10.600 171 HD2 PHE 24 HD2 PHE 24 9.394 3.984 -8.621 172 HE1 PHE 24 HE1 PHE 24 4.569 3.639 -9.718 173 HE2 PHE 24 HE2 PHE 24 7.800 5.665 -7.739 174 HZ PHE 24 HZ PHE 24 5.386 5.492 -8.288 175 H ARG 25 H ARG 25 9.601 -0.942 -7.367 176 HA ARG 25 HA ARG 25 8.680 -3.167 -8.833 177 1HB ARG 25 2HB ARG 25 8.916 -2.530 -5.930 178 2HB ARG 25 1HB ARG 25 7.901 -3.901 -6.368 179 1HG ARG 25 2HG ARG 25 9.829 -5.089 -6.427 180 2HG ARG 25 1HG ARG 25 10.113 -4.279 -7.968 181 1HD ARG 25 2HD ARG 25 12.081 -3.863 -6.716 182 2HD ARG 25 1HD ARG 25 11.146 -2.374 -6.580 183 HE ARG 25 HE ARG 25 10.923 -4.414 -4.423 184 1HH1 ARG 25 1HH2 ARG 25 13.478 -2.846 -4.288 185 2HH1 ARG 25 2HH2 ARG 25 13.028 -1.502 -3.292 186 1HH2 ARG 25 2HH1 ARG 25 9.609 -2.017 -3.704 187 2HH2 ARG 25 1HH1 ARG 25 10.821 -1.030 -2.959 188 HA PRO 26 HA PRO 26 4.220 -2.274 -7.302 189 1HB PRO 26 2HB PRO 26 3.775 0.098 -5.978 190 2HB PRO 26 1HB PRO 26 4.186 -1.417 -5.156 191 1HG PRO 26 2HG PRO 26 5.907 0.969 -5.669 192 2HG PRO 26 1HG PRO 26 6.005 -0.226 -4.364 193 1HD PRO 26 2HD PRO 26 7.659 -0.152 -6.646 194 2HD PRO 26 1HD PRO 26 7.481 -1.529 -5.537 195 H PHE 27 H PHE 27 3.014 -1.659 -9.067 196 HA PHE 27 HA PHE 27 2.200 -0.400 -10.871 197 1HB PHE 27 2HB PHE 27 3.478 1.857 -9.298 198 2HB PHE 27 1HB PHE 27 2.606 2.110 -10.806 199 HD1 PHE 27 HD1 PHE 27 0.245 2.211 -10.850 200 HD2 PHE 27 HD2 PHE 27 2.254 0.721 -7.357 201 HE1 PHE 27 HE1 PHE 27 -1.901 2.216 -9.612 202 HE2 PHE 27 HE2 PHE 27 0.105 0.725 -6.120 203 HZ PHE 27 HZ PHE 27 -1.971 1.474 -7.247 204 H CYS 28 H CYS 28 3.048 0.871 -12.814 205 HA CYS 28 HA CYS 28 5.826 -0.028 -13.372 206 1HB CYS 28 2HB CYS 28 5.252 0.278 -15.729 207 2HB CYS 28 1HB CYS 28 4.013 -0.694 -14.935 208 H SER 29 H SER 29 3.903 2.922 -13.111 209 HA SER 29 HA SER 29 6.421 4.492 -13.330 210 1HB SER 29 2HB SER 29 4.554 4.382 -15.413 211 2HB SER 29 1HB SER 29 4.183 5.886 -14.579 212 HG SER 29 HG SER 29 5.796 6.224 -16.126 213 H LYS 30 H LYS 30 6.156 6.705 -12.428 214 HA LYS 30 HA LYS 30 4.747 6.695 -9.927 215 1HB LYS 30 2HB LYS 30 6.645 8.368 -11.237 216 2HB LYS 30 1HB LYS 30 5.285 9.389 -10.772 217 1HG LYS 30 2HG LYS 30 6.415 7.410 -8.811 218 2HG LYS 30 1HG LYS 30 7.203 8.971 -9.044 219 1HD LYS 30 2HD LYS 30 5.642 9.990 -7.786 220 2HD LYS 30 1HD LYS 30 4.356 9.363 -8.818 221 1HE LYS 30 2HE LYS 30 5.080 7.120 -7.400 222 2HE LYS 30 1HE LYS 30 5.306 8.394 -6.202 223 1HZ LYS 30 1HZ LYS 30 2.847 7.620 -7.639 224 2HZ LYS 30 2HZ LYS 30 3.010 9.186 -7.002 225 3HZ LYS 30 3HZ LYS 30 3.086 7.837 -5.975 226 H ARG 31 H ARG 31 4.012 8.115 -13.101 227 HA ARG 31 HA ARG 31 1.705 9.613 -12.343 228 1HB ARG 31 2HB ARG 31 2.652 8.385 -14.922 229 2HB ARG 31 1HB ARG 31 1.056 9.132 -14.831 230 1HG ARG 31 2HG ARG 31 2.835 10.917 -13.547 231 2HG ARG 31 1HG ARG 31 3.634 10.408 -15.035 232 1HD ARG 31 2HD ARG 31 2.347 11.946 -16.070 233 2HD ARG 31 1HD ARG 31 1.020 10.809 -15.851 234 HE ARG 31 HE ARG 31 1.548 13.194 -14.163 235 1HH1 ARG 31 1HH2 ARG 31 -1.011 12.796 -15.665 236 2HH1 ARG 31 2HH2 ARG 31 -2.073 12.223 -14.422 237 1HH2 ARG 31 2HH1 ARG 31 0.501 11.417 -12.237 238 2HH2 ARG 31 1HH1 ARG 31 -1.215 11.445 -12.473 239 H CYS 32 H CYS 32 2.053 6.226 -13.429 240 HA CYS 32 HA CYS 32 -0.732 5.588 -13.465 241 1HB CYS 32 2HB CYS 32 1.807 4.022 -13.253 242 2HB CYS 32 1HB CYS 32 0.302 3.207 -12.830 243 H GLN 33 H GLN 33 1.713 5.073 -10.885 244 HA GLN 33 HA GLN 33 -0.097 4.160 -8.882 245 1HB GLN 33 2HB GLN 33 2.468 4.159 -8.819 246 2HB GLN 33 1HB GLN 33 2.351 5.848 -8.328 247 1HG GLN 33 2HG GLN 33 0.850 5.124 -6.442 248 2HG GLN 33 1HG GLN 33 1.189 3.452 -6.883 249 1HE2 GLN 33 1HE2 GLN 33 3.623 2.863 -6.916 250 2HE2 GLN 33 2HE2 GLN 33 4.618 3.607 -5.758 251 H LEU 34 H LEU 34 0.756 7.410 -9.971 252 HA LEU 34 HA LEU 34 -0.534 8.848 -7.831 253 1HB LEU 34 2HB LEU 34 1.134 9.627 -9.774 254 2HB LEU 34 1HB LEU 34 -0.380 10.007 -10.590 255 HG LEU 34 HG LEU 34 -1.070 11.323 -8.557 256 1HD1 LEU 34 1HD1 LEU 34 1.525 10.234 -7.640 257 2HD1 LEU 34 2HD1 LEU 34 0.137 10.769 -6.696 258 3HD1 LEU 34 3HD1 LEU 34 1.291 11.949 -7.312 259 1HD2 LEU 34 1HD2 LEU 34 1.499 12.104 -9.970 260 2HD2 LEU 34 2HD2 LEU 34 0.519 13.213 -9.011 261 3HD2 LEU 34 3HD2 LEU 34 -0.145 12.492 -10.475 262 H ILE 35 H ILE 35 -1.589 8.569 -11.253 263 HA ILE 35 HA ILE 35 -4.246 9.396 -10.920 264 HB ILE 35 HB ILE 35 -3.174 7.289 -12.824 265 1HG1 ILE 35 2HG1 ILE 35 -3.847 10.091 -13.625 266 2HG1 ILE 35 1HG1 ILE 35 -2.362 9.846 -12.705 267 1HG2 ILE 35 1HG2 ILE 35 -5.544 7.049 -12.826 268 2HG2 ILE 35 2HG2 ILE 35 -5.191 8.093 -14.202 269 3HG2 ILE 35 3HG2 ILE 35 -5.797 8.790 -12.700 270 1HD1 ILE 35 1HD1 ILE 35 -3.063 8.920 -15.453 271 2HD1 ILE 35 2HD1 ILE 35 -2.063 7.851 -14.470 272 3HD1 ILE 35 3HD1 ILE 35 -1.521 9.492 -14.820 273 H ASP 36 H ASP 36 -2.824 6.272 -10.095 274 HA ASP 36 HA ASP 36 -5.115 4.647 -9.910 275 1HB ASP 36 2HB ASP 36 -2.652 4.032 -9.450 276 2HB ASP 36 1HB ASP 36 -2.940 4.622 -7.814 277 H LEU 37 H LEU 37 -3.843 6.994 -7.534 278 HA LEU 37 HA LEU 37 -5.820 6.482 -5.508 279 1HB LEU 37 2HB LEU 37 -3.894 8.693 -6.107 280 2HB LEU 37 1HB LEU 37 -5.190 9.015 -4.958 281 HG LEU 37 HG LEU 37 -3.686 6.462 -4.626 282 1HD1 LEU 37 1HD1 LEU 37 -1.901 8.114 -5.097 283 2HD1 LEU 37 2HD1 LEU 37 -1.870 7.596 -3.412 284 3HD1 LEU 37 3HD1 LEU 37 -2.551 9.166 -3.840 285 1HD2 LEU 37 1HD2 LEU 37 -5.420 6.885 -3.046 286 2HD2 LEU 37 2HD2 LEU 37 -4.938 8.570 -2.851 287 3HD2 LEU 37 3HD2 LEU 37 -3.926 7.283 -2.196 288 H GLY 38 H GLY 38 -5.587 9.176 -7.880 289 1HA GLY 38 2HA GLY 38 -7.518 9.778 -9.272 290 2HA GLY 38 1HA GLY 38 -8.574 9.204 -7.985 291 H GLU 39 H GLU 39 -5.803 11.169 -7.133 292 HA GLU 39 HA GLU 39 -7.632 13.506 -6.705 293 1HB GLU 39 2HB GLU 39 -5.440 12.397 -4.928 294 2HB GLU 39 1HB GLU 39 -6.109 14.015 -4.718 295 1HG GLU 39 2HG GLU 39 -7.627 12.989 -3.376 296 2HG GLU 39 1HG GLU 39 -8.391 12.496 -4.887 297 H TRP 40 H TRP 40 -6.183 13.236 -9.085 298 HA TRP 40 HA TRP 40 -4.166 15.410 -8.788 299 1HB TRP 40 2HB TRP 40 -3.659 13.132 -10.682 300 2HB TRP 40 1HB TRP 40 -2.508 14.266 -9.972 301 HD1 TRP 40 HD1 TRP 40 -4.168 10.960 -9.392 302 HE1 TRP 40 HE1 TRP 40 -3.362 9.964 -7.162 303 HE3 TRP 40 HE3 TRP 40 -1.704 14.981 -7.467 304 HZ2 TRP 40 HZ2 TRP 40 -1.868 10.753 -4.863 305 HZ3 TRP 40 HZ3 TRP 40 -0.590 14.838 -5.253 306 HH2 TRP 40 HH2 TRP 40 -0.671 12.729 -3.949 307 H ALA 41 H ALA 41 -4.850 17.061 -10.065 308 HA ALA 41 HA ALA 41 -6.053 16.384 -12.719 309 1HB ALA 41 1HB ALA 41 -7.961 17.281 -11.862 310 2HB ALA 41 2HB ALA 41 -7.153 18.823 -12.136 311 3HB ALA 41 3HB ALA 41 -7.106 18.074 -10.540 312 H ALA 42 H ALA 42 -5.065 17.362 -14.406 313 HA ALA 42 HA ALA 42 -3.685 18.766 -15.650 314 1HB ALA 42 1HB ALA 42 -3.385 21.098 -14.842 315 2HB ALA 42 2HB ALA 42 -4.108 20.640 -13.303 316 3HB ALA 42 3HB ALA 42 -5.070 20.581 -14.778 317 H GLU 43 H GLU 43 -2.064 17.006 -15.010 318 HA GLU 43 HA GLU 43 0.090 18.040 -13.216 319 1HB GLU 43 2HB GLU 43 -0.590 15.308 -14.298 320 2HB GLU 43 1HB GLU 43 1.049 15.659 -13.756 321 1HG GLU 43 2HG GLU 43 0.199 14.964 -11.743 322 2HG GLU 43 1HG GLU 43 -0.319 16.650 -11.654 323 H GLU 44 H GLU 44 -0.221 16.371 -16.364 324 HA GLU 44 HA GLU 44 2.385 17.183 -17.305 325 1HB GLU 44 2HB GLU 44 0.010 15.784 -18.426 326 2HB GLU 44 1HB GLU 44 1.088 16.552 -19.590 327 1HG GLU 44 2HG GLU 44 1.978 14.377 -19.341 328 2HG GLU 44 1HG GLU 44 2.999 15.374 -18.304 329 H LYS 45 H LYS 45 2.917 19.225 -17.929 330 HA LYS 45 HA LYS 45 0.779 20.967 -19.104 331 1HB LYS 45 2HB LYS 45 2.964 21.490 -17.167 332 2HB LYS 45 1HB LYS 45 2.757 22.718 -18.415 333 1HG LYS 45 2HG LYS 45 0.165 21.934 -17.445 334 2HG LYS 45 1HG LYS 45 1.190 22.349 -16.070 335 1HD LYS 45 2HD LYS 45 1.104 24.129 -18.503 336 2HD LYS 45 1HD LYS 45 -0.131 24.261 -17.252 337 1HE LYS 45 2HE LYS 45 1.343 25.094 -15.686 338 2HE LYS 45 1HE LYS 45 2.717 24.207 -16.349 339 1HZ LYS 45 1HZ LYS 45 2.642 25.727 -18.281 340 2HZ LYS 45 2HZ LYS 45 2.982 26.527 -16.821 341 3HZ LYS 45 3HZ LYS 45 1.430 26.621 -17.503 342 H ARG 46 H ARG 46 1.134 21.695 -21.192 343 HA ARG 46 HA ARG 46 3.280 20.609 -22.768 344 1HB ARG 46 2HB ARG 46 1.516 22.984 -23.461 345 2HB ARG 46 1HB ARG 46 2.445 21.993 -24.588 346 1HG ARG 46 2HG ARG 46 0.871 20.190 -23.078 347 2HG ARG 46 1HG ARG 46 -0.190 21.528 -23.504 348 1HD ARG 46 2HD ARG 46 1.454 19.837 -25.420 349 2HD ARG 46 1HD ARG 46 -0.300 19.888 -25.284 350 HE ARG 46 HE ARG 46 0.912 21.452 -27.099 351 1HH1 ARG 46 2HH1 ARG 46 -1.794 21.985 -25.486 352 2HH1 ARG 46 1HH1 ARG 46 -1.635 23.693 -25.276 353 1HH2 ARG 46 1HH2 ARG 46 1.703 23.778 -26.218 354 2HH2 ARG 46 2HH2 ARG 46 0.342 24.708 -25.692 355 H ILE 47 H ILE 47 2.654 24.000 -21.731 356 HA ILE 47 HA ILE 47 5.477 24.676 -22.362 357 HB ILE 47 HB ILE 47 3.229 26.466 -21.361 358 1HG1 ILE 47 2HG1 ILE 47 4.216 26.801 -24.121 359 2HG1 ILE 47 1HG1 ILE 47 3.355 25.284 -23.849 360 1HG2 ILE 47 1HG2 ILE 47 5.987 27.041 -22.468 361 2HG2 ILE 47 2HG2 ILE 47 5.389 27.419 -20.854 362 3HG2 ILE 47 3HG2 ILE 47 4.743 28.272 -22.256 363 1HD1 ILE 47 1HD1 ILE 47 1.504 26.612 -22.773 364 2HD1 ILE 47 2HD1 ILE 47 1.725 26.969 -24.486 365 3HD1 ILE 47 3HD1 ILE 47 2.341 28.082 -23.266 366 HA PRO 48 HA PRO 48 6.128 23.813 -17.984 367 1HB PRO 48 2HB PRO 48 8.878 23.806 -18.171 368 2HB PRO 48 1HB PRO 48 7.860 22.403 -18.544 369 1HG PRO 48 2HG PRO 48 9.248 24.274 -20.420 370 2HG PRO 48 1HG PRO 48 8.850 22.560 -20.633 371 1HD PRO 48 2HD PRO 48 7.418 24.687 -21.773 372 2HD PRO 48 1HD PRO 48 6.798 23.037 -21.558 373 H SER 49 H SER 49 7.399 26.419 -19.977 374 HA SER 49 HA SER 49 7.525 28.127 -17.537 375 1HB SER 49 2HB SER 49 9.667 27.537 -19.469 376 2HB SER 49 1HB SER 49 9.410 29.258 -19.208 377 HG SER 49 HG SER 49 10.596 28.865 -17.498 378 H SER 50 H SER 50 5.283 28.637 -18.339 379 HA SER 50 HA SER 50 5.171 30.273 -20.809 380 1HB SER 50 2HB SER 50 3.344 28.546 -19.687 381 2HB SER 50 1HB SER 50 2.730 30.106 -19.152 382 HG SER 50 HG SER 50 1.906 30.055 -21.112 383 H GLY 51 H GLY 51 3.370 30.990 -17.802 384 1HA GLY 51 2HA GLY 51 4.366 33.784 -17.944 385 2HA GLY 51 1HA GLY 51 3.033 33.213 -16.930 386 H ASP 52 H ASP 52 6.552 33.243 -17.267 387 HA ASP 52 HA ASP 52 6.929 31.952 -14.656 388 1HB ASP 52 2HB ASP 52 8.864 33.030 -16.703 389 2HB ASP 52 1HB ASP 52 9.370 32.309 -15.176 390 H LEU 53 H LEU 53 7.878 32.817 -12.874 391 HA LEU 53 HA LEU 53 7.451 35.652 -12.338 392 1HB LEU 53 2HB LEU 53 7.641 33.299 -10.823 393 2HB LEU 53 1HB LEU 53 9.087 34.209 -10.396 394 HG LEU 53 HG LEU 53 6.863 36.023 -10.480 395 1HD1 LEU 53 1HD1 LEU 53 5.597 33.835 -10.101 396 2HD1 LEU 53 2HD1 LEU 53 5.368 35.069 -8.863 397 3HD1 LEU 53 3HD1 LEU 53 6.451 33.714 -8.564 398 1HD2 LEU 53 1HD2 LEU 53 9.122 35.320 -8.847 399 2HD2 LEU 53 2HD2 LEU 53 7.702 35.439 -7.809 400 3HD2 LEU 53 3HD2 LEU 53 8.177 36.809 -8.813 401 H SER 54 H SER 54 9.002 37.239 -12.611 402 HA SER 54 HA SER 54 11.050 38.220 -13.216 403 1HB SER 54 2HB SER 54 11.585 36.300 -11.029 404 2HB SER 54 1HB SER 54 13.006 36.788 -11.947 405 HG SER 54 HG SER 54 12.015 38.125 -10.042 406 H GLU 55 H GLU 55 10.219 36.731 -15.283 407 HA GLU 55 HA GLU 55 12.729 35.467 -16.268 408 1HB GLU 55 2HB GLU 55 10.541 33.965 -15.497 409 2HB GLU 55 1HB GLU 55 10.292 34.142 -17.236 410 1HG GLU 55 2HG GLU 55 13.004 33.627 -17.059 411 2HG GLU 55 1HG GLU 55 12.334 32.608 -15.787 412 H SER 56 H SER 56 11.922 38.062 -16.837 413 HA SER 56 HA SER 56 11.466 39.532 -18.597 414 1HB SER 56 2HB SER 56 13.125 37.511 -19.559 415 2HB SER 56 1HB SER 56 11.844 37.609 -20.763 416 HG SER 56 HG SER 56 13.888 39.246 -20.421 417 H ASP 57 H ASP 57 9.193 38.031 -17.527 418 HA ASP 57 HA ASP 57 7.328 38.468 -19.753 419 1HB ASP 57 2HB ASP 57 8.315 35.864 -19.273 420 2HB ASP 57 1HB ASP 57 6.682 35.888 -18.611 421 H ASP 58 H ASP 58 7.246 36.672 -16.634 422 HA ASP 58 HA ASP 58 4.965 38.423 -15.829 423 1HB ASP 58 2HB ASP 58 5.106 35.689 -15.846 424 2HB ASP 58 1HB ASP 58 5.565 36.046 -14.183 425 H TRP 59 H TRP 59 4.924 39.256 -13.657 426 HA TRP 59 HA TRP 59 7.388 39.129 -12.023 427 1HB TRP 59 2HB TRP 59 6.429 41.557 -13.510 428 2HB TRP 59 1HB TRP 59 7.215 41.757 -11.948 429 HD1 TRP 59 HD1 TRP 59 9.755 40.714 -11.749 430 HE1 TRP 59 HE1 TRP 59 11.600 40.585 -13.544 431 HE3 TRP 59 HE3 TRP 59 6.925 41.273 -15.964 432 HZ2 TRP 59 HZ2 TRP 59 11.846 40.703 -16.392 433 HZ3 TRP 59 HZ3 TRP 59 7.989 41.259 -18.203 434 HH2 TRP 59 HH2 TRP 59 10.443 40.976 -18.422 435 H SER 60 H SER 60 7.039 40.179 -9.893 436 HA SER 60 HA SER 60 4.272 39.847 -8.967 437 1HB SER 60 2HB SER 60 6.873 39.767 -7.774 438 2HB SER 60 1HB SER 60 5.935 41.003 -6.946 439 HG SER 60 HG SER 60 5.645 38.871 -6.083 440 H GLU 61 H GLU 61 6.617 42.506 -9.341 441 HA GLU 61 HA GLU 61 4.876 44.551 -8.268 442 1HB GLU 61 2HB GLU 61 6.498 46.131 -9.381 443 2HB GLU 61 1HB GLU 61 7.260 44.963 -8.304 444 1HG GLU 61 2HG GLU 61 8.575 44.314 -10.016 445 2HG GLU 61 1HG GLU 61 7.139 43.714 -10.844 446 H GLU 62 H GLU 62 5.345 43.189 -11.488 447 HA GLU 62 HA GLU 62 3.956 45.253 -12.948 448 1HB GLU 62 2HB GLU 62 5.337 42.864 -13.553 449 2HB GLU 62 1HB GLU 62 3.707 42.661 -14.188 450 1HG GLU 62 2HG GLU 62 4.274 45.243 -14.929 451 2HG GLU 62 1HG GLU 62 5.852 44.469 -15.079 452 HA PRO 63 HA PRO 63 -0.131 44.010 -11.641 453 1HB PRO 63 2HB PRO 63 -1.447 45.994 -13.019 454 2HB PRO 63 1HB PRO 63 -0.643 46.247 -11.461 455 1HG PRO 63 2HG PRO 63 0.235 47.091 -14.182 456 2HG PRO 63 1HG PRO 63 0.619 47.805 -12.607 457 1HD PRO 63 2HD PRO 63 2.323 46.127 -14.127 458 2HD PRO 63 1HD PRO 63 2.552 46.586 -12.426 459 H LYS 64 H LYS 64 0.755 44.677 -15.036 460 HA LYS 64 HA LYS 64 -1.523 43.296 -16.177 461 1HB LYS 64 2HB LYS 64 0.282 45.019 -17.208 462 2HB LYS 64 1HB LYS 64 1.004 43.499 -17.736 463 1HG LYS 64 2HG LYS 64 -1.908 43.609 -18.120 464 2HG LYS 64 1HG LYS 64 -1.025 44.816 -19.054 465 1HD LYS 64 2HD LYS 64 0.550 42.843 -19.689 466 2HD LYS 64 1HD LYS 64 -0.776 41.816 -19.143 467 1HE LYS 64 2HE LYS 64 -2.307 43.009 -20.699 468 2HE LYS 64 1HE LYS 64 -0.940 43.957 -21.284 469 1HZ LYS 64 1HZ LYS 64 0.089 42.040 -22.148 470 2HZ LYS 64 2HZ LYS 64 -1.534 41.937 -22.628 471 3HZ LYS 64 3HZ LYS 64 -0.968 40.994 -21.333 472 H GLN 65 HN GLN 65 1.959 42.390 -16.282 473 HA GLN 65 HA GLN 65 1.084 39.534 -16.096 474 1HB GLN 65 2HB GLN 65 3.160 40.885 -17.777 475 2HB GLN 65 1HB GLN 65 3.476 39.240 -17.227 476 1HG GLN 65 2HG GLN 65 0.822 39.160 -18.075 477 2HG GLN 65 1HG GLN 65 1.625 40.171 -19.279 478 1HE2 GLN 65 1HE2 GLN 65 1.648 36.932 -17.789 479 2HE2 GLN 65 2HE2 GLN 65 2.595 36.200 -18.993 Start of MODEL 8 1 H MET 1 1H MET 1 4.826 -15.194 -11.008 2 HA MET 1 HA MET 1 5.765 -17.349 -10.382 3 1HB MET 1 2HB MET 1 7.098 -15.109 -11.095 4 2HB MET 1 1HB MET 1 7.851 -15.416 -9.531 5 1HG MET 1 2HG MET 1 8.775 -17.420 -10.201 6 2HG MET 1 1HG MET 1 7.520 -17.721 -11.404 7 1HE MET 1 1HE MET 1 11.409 -16.565 -11.293 8 2HE MET 1 2HE MET 1 11.200 -17.552 -12.739 9 3HE MET 1 3HE MET 1 10.459 -18.057 -11.221 10 H SER 2 H SER 2 7.370 -18.327 -8.772 11 HA SER 2 HA SER 2 6.303 -17.939 -6.033 12 1HB SER 2 2HB SER 2 7.361 -20.174 -7.555 13 2HB SER 2 1HB SER 2 8.191 -20.020 -6.011 14 HG SER 2 HG SER 2 6.359 -21.231 -5.677 15 H GLU 3 H GLU 3 9.460 -18.039 -7.724 16 HA GLU 3 HA GLU 3 10.907 -17.197 -5.320 17 1HB GLU 3 2HB GLU 3 11.659 -17.757 -8.181 18 2HB GLU 3 1HB GLU 3 12.792 -16.915 -7.124 19 1HG GLU 3 2HG GLU 3 13.410 -19.120 -6.733 20 2HG GLU 3 1HG GLU 3 12.214 -18.890 -5.457 21 H THR 4 H THR 4 10.121 -15.686 -8.479 22 HA THR 4 HA THR 4 10.739 -13.028 -7.246 23 HB THR 4 HB THR 4 10.624 -13.764 -10.190 24 HG1 THR 4 HG1 THR 4 12.508 -14.568 -9.742 25 1HG2 THR 4 1HG2 THR 4 11.762 -11.560 -10.460 26 2HG2 THR 4 2HG2 THR 4 11.543 -11.270 -8.733 27 3HG2 THR 4 3HG2 THR 4 10.136 -11.410 -9.790 28 H ILE 5 H ILE 5 8.826 -12.165 -6.523 29 HA ILE 5 HA ILE 5 6.269 -12.792 -7.796 30 HB ILE 5 HB ILE 5 6.733 -10.549 -5.825 31 1HG1 ILE 5 2HG1 ILE 5 5.918 -12.913 -4.461 32 2HG1 ILE 5 1HG1 ILE 5 7.332 -13.337 -5.425 33 1HG2 ILE 5 1HG2 ILE 5 4.448 -11.891 -7.002 34 2HG2 ILE 5 2HG2 ILE 5 4.493 -10.439 -6.002 35 3HG2 ILE 5 3HG2 ILE 5 4.416 -12.029 -5.244 36 1HD1 ILE 5 1HD1 ILE 5 8.230 -12.543 -3.378 37 2HD1 ILE 5 2HD1 ILE 5 7.087 -11.201 -3.304 38 3HD1 ILE 5 3HD1 ILE 5 8.395 -11.181 -4.487 39 H THR 6 H THR 6 4.849 -11.133 -8.748 40 HA THR 6 HA THR 6 6.283 -8.761 -9.850 41 HB THR 6 HB THR 6 4.985 -9.237 -12.030 42 HG1 THR 6 HG1 THR 6 3.785 -10.935 -11.945 43 1HG2 THR 6 1HG2 THR 6 7.021 -9.837 -12.759 44 2HG2 THR 6 2HG2 THR 6 6.855 -11.426 -12.010 45 3HG2 THR 6 3HG2 THR 6 7.516 -10.079 -11.083 46 H VAL 7 H VAL 7 5.112 -6.935 -9.569 47 HA VAL 7 HA VAL 7 2.263 -7.168 -8.757 48 HB VAL 7 HB VAL 7 4.237 -4.864 -8.639 49 1HG1 VAL 7 1HG1 VAL 7 2.505 -3.449 -8.381 50 2HG1 VAL 7 2HG1 VAL 7 1.866 -4.443 -7.071 51 3HG1 VAL 7 3HG1 VAL 7 1.392 -4.771 -8.737 52 1HG2 VAL 7 1HG2 VAL 7 4.816 -6.017 -6.764 53 2HG2 VAL 7 2HG2 VAL 7 3.342 -6.986 -6.791 54 3HG2 VAL 7 3HG2 VAL 7 3.320 -5.363 -6.098 55 H ASN 8 H ASN 8 0.738 -6.869 -10.302 56 HA ASN 8 HA ASN 8 1.466 -5.699 -12.901 57 1HB ASN 8 2HB ASN 8 -0.247 -7.690 -12.234 58 2HB ASN 8 1HB ASN 8 -1.373 -6.333 -12.301 59 1HD2 ASN 8 1HD2 ASN 8 -1.611 -5.202 -14.386 60 2HD2 ASN 8 2HD2 ASN 8 -1.086 -5.922 -15.830 61 H CYS 9 H CYS 9 0.984 -3.644 -13.545 62 HA CYS 9 HA CYS 9 0.079 -1.688 -11.625 63 1HB CYS 9 2HB CYS 9 1.627 -1.318 -13.647 64 2HB CYS 9 1HB CYS 9 0.158 -1.291 -14.622 65 HA PRO 10 HA PRO 10 -4.252 -2.507 -12.400 66 1HB PRO 10 2HB PRO 10 -5.146 -0.896 -10.360 67 2HB PRO 10 1HB PRO 10 -4.539 -2.543 -10.118 68 1HG PRO 10 2HG PRO 10 -3.214 0.054 -9.497 69 2HG PRO 10 1HG PRO 10 -2.975 -1.535 -8.751 70 1HD PRO 10 2HD PRO 10 -1.274 -0.322 -10.664 71 2HD PRO 10 1HD PRO 10 -1.226 -2.020 -10.146 72 H THR 11 H THR 11 -2.554 0.493 -12.657 73 HA THR 11 HA THR 11 -4.901 2.100 -13.377 74 HB THR 11 HB THR 11 -1.941 2.723 -13.634 75 HG1 THR 11 HG1 THR 11 -3.851 3.365 -11.634 76 1HG2 THR 11 1HG2 THR 11 -2.573 4.987 -13.982 77 2HG2 THR 11 2HG2 THR 11 -4.245 4.675 -13.513 78 3HG2 THR 11 3HG2 THR 11 -3.626 4.053 -15.045 79 H CYS 12 H CYS 12 -1.973 0.989 -15.155 80 HA CYS 12 HA CYS 12 -3.486 1.407 -17.693 81 1HB CYS 12 2HB CYS 12 -1.320 1.427 -18.806 82 2HB CYS 12 1HB CYS 12 -1.286 2.554 -17.451 83 H GLY 13 H GLY 13 -1.842 -1.078 -15.790 84 1HA GLY 13 2HA GLY 13 -2.444 -3.419 -15.962 85 2HA GLY 13 1HA GLY 13 -2.991 -3.128 -17.615 86 H LYS 14 H LYS 14 -0.059 -3.248 -15.599 87 HA LYS 14 HA LYS 14 1.410 -4.415 -17.896 88 1HB LYS 14 2HB LYS 14 1.663 -1.797 -17.660 89 2HB LYS 14 1HB LYS 14 2.750 -2.225 -16.338 90 1HG LYS 14 2HG LYS 14 3.154 -3.774 -18.826 91 2HG LYS 14 1HG LYS 14 3.522 -2.053 -18.954 92 1HD LYS 14 2HD LYS 14 4.882 -2.307 -16.817 93 2HD LYS 14 1HD LYS 14 4.693 -4.052 -17.007 94 1HE LYS 14 2HE LYS 14 6.090 -4.144 -18.827 95 2HE LYS 14 1HE LYS 14 5.618 -2.543 -19.402 96 1HZ LYS 14 1HZ LYS 14 7.335 -3.070 -17.033 97 2HZ LYS 14 2HZ LYS 14 6.924 -1.542 -17.658 98 3HZ LYS 14 3HZ LYS 14 7.901 -2.598 -18.562 99 H THR 15 H THR 15 2.639 -6.098 -17.187 100 HA THR 15 HA THR 15 2.746 -6.730 -14.350 101 HB THR 15 HB THR 15 4.281 -8.073 -16.596 102 HG1 THR 15 HG1 THR 15 2.447 -8.827 -17.236 103 1HG2 THR 15 1HG2 THR 15 3.211 -9.259 -14.030 104 2HG2 THR 15 2HG2 THR 15 4.823 -8.551 -14.138 105 3HG2 THR 15 3HG2 THR 15 4.404 -9.947 -15.132 106 H VAL 16 H VAL 16 4.163 -5.787 -12.994 107 HA VAL 16 HA VAL 16 6.861 -5.011 -14.042 108 HB VAL 16 HB VAL 16 5.410 -3.865 -11.633 109 1HG1 VAL 16 1HG1 VAL 16 7.145 -2.110 -11.804 110 2HG1 VAL 16 2HG1 VAL 16 7.876 -2.968 -13.161 111 3HG1 VAL 16 3HG1 VAL 16 7.870 -3.698 -11.555 112 1HG2 VAL 16 1HG2 VAL 16 5.412 -1.817 -13.329 113 2HG2 VAL 16 2HG2 VAL 16 4.116 -3.013 -13.366 114 3HG2 VAL 16 3HG2 VAL 16 5.435 -3.104 -14.534 115 H VAL 17 H VAL 17 8.658 -5.804 -12.933 116 HA VAL 17 HA VAL 17 8.348 -8.154 -11.335 117 HB VAL 17 HB VAL 17 10.385 -7.547 -12.694 118 1HG1 VAL 17 1HG1 VAL 17 11.987 -6.002 -11.871 119 2HG1 VAL 17 2HG1 VAL 17 11.202 -5.901 -10.296 120 3HG1 VAL 17 3HG1 VAL 17 10.442 -5.169 -11.709 121 1HG2 VAL 17 1HG2 VAL 17 10.339 -9.339 -10.927 122 2HG2 VAL 17 2HG2 VAL 17 10.961 -8.154 -9.778 123 3HG2 VAL 17 3HG2 VAL 17 11.934 -8.627 -11.171 124 H TRP 18 H TRP 18 8.473 -8.491 -9.120 125 HA TRP 18 HA TRP 18 8.478 -6.053 -7.380 126 1HB TRP 18 2HB TRP 18 6.200 -6.916 -7.542 127 2HB TRP 18 1HB TRP 18 6.755 -8.542 -7.152 128 HD1 TRP 18 HD1 TRP 18 6.756 -9.184 -4.684 129 HE1 TRP 18 HE1 TRP 18 6.532 -7.914 -2.454 130 HE3 TRP 18 HE3 TRP 18 6.795 -4.374 -6.400 131 HZ2 TRP 18 HZ2 TRP 18 6.387 -5.214 -1.520 132 HZ3 TRP 18 HZ3 TRP 18 6.613 -2.476 -4.820 133 HH2 TRP 18 HH2 TRP 18 6.409 -2.889 -2.384 134 H GLY 19 H GLY 19 9.455 -6.318 -5.311 135 1HA GLY 19 2HA GLY 19 10.350 -8.076 -3.668 136 2HA GLY 19 1HA GLY 19 11.199 -8.738 -5.066 137 H GLU 20 H GLU 20 13.120 -7.801 -5.702 138 HA GLU 20 HA GLU 20 13.883 -5.118 -4.827 139 1HB GLU 20 2HB GLU 20 14.336 -6.893 -2.905 140 2HB GLU 20 1HB GLU 20 15.749 -7.273 -3.891 141 1HG GLU 20 2HG GLU 20 16.759 -5.530 -2.860 142 2HG GLU 20 1HG GLU 20 15.731 -4.496 -3.854 143 H ILE 21 H ILE 21 14.011 -4.962 -7.159 144 HA ILE 21 HA ILE 21 16.667 -5.668 -8.185 145 HB ILE 21 HB ILE 21 15.540 -7.709 -8.777 146 1HG1 ILE 21 2HG1 ILE 21 15.387 -5.993 -11.267 147 2HG1 ILE 21 1HG1 ILE 21 16.924 -6.482 -10.551 148 1HG2 ILE 21 1HG2 ILE 21 13.219 -6.796 -8.488 149 2HG2 ILE 21 2HG2 ILE 21 13.411 -7.779 -9.939 150 3HG2 ILE 21 3HG2 ILE 21 13.375 -6.021 -10.064 151 1HD1 ILE 21 1HD1 ILE 21 14.793 -8.207 -11.801 152 2HD1 ILE 21 2HD1 ILE 21 15.927 -8.892 -10.636 153 3HD1 ILE 21 3HD1 ILE 21 16.526 -8.175 -12.134 154 H SER 22 H SER 22 13.457 -4.325 -8.955 155 HA SER 22 HA SER 22 14.766 -2.355 -10.772 156 1HB SER 22 2HB SER 22 12.095 -3.624 -10.640 157 2HB SER 22 1HB SER 22 12.085 -1.911 -11.049 158 HG SER 22 HG SER 22 12.337 -3.469 -12.834 159 HA PRO 23 HA PRO 23 14.037 0.952 -7.965 160 1HB PRO 23 2HB PRO 23 13.469 2.997 -9.718 161 2HB PRO 23 1HB PRO 23 15.097 2.347 -9.460 162 1HG PRO 23 2HG PRO 23 13.248 1.923 -11.765 163 2HG PRO 23 1HG PRO 23 15.018 1.878 -11.724 164 1HD PRO 23 2HD PRO 23 13.321 -0.375 -11.768 165 2HD PRO 23 1HD PRO 23 15.047 -0.385 -11.346 166 H PHE 24 H PHE 24 11.549 0.619 -10.513 167 HA PHE 24 HA PHE 24 9.512 1.604 -8.561 168 1HB PHE 24 2HB PHE 24 9.987 2.442 -11.163 169 2HB PHE 24 1HB PHE 24 8.638 1.324 -11.351 170 HD1 PHE 24 HD1 PHE 24 6.445 1.953 -10.723 171 HD2 PHE 24 HD2 PHE 24 9.801 4.271 -9.375 172 HE1 PHE 24 HE1 PHE 24 4.898 3.667 -9.818 173 HE2 PHE 24 HE2 PHE 24 8.254 5.985 -8.470 174 HZ PHE 24 HZ PHE 24 5.803 5.682 -8.690 175 H ARG 25 H ARG 25 9.957 -0.773 -7.790 176 HA ARG 25 HA ARG 25 9.022 -3.016 -9.257 177 1HB ARG 25 2HB ARG 25 9.326 -2.430 -6.326 178 2HB ARG 25 1HB ARG 25 8.521 -3.912 -6.839 179 1HG ARG 25 2HG ARG 25 10.441 -4.701 -7.976 180 2HG ARG 25 1HG ARG 25 11.200 -3.109 -7.971 181 1HD ARG 25 2HD ARG 25 10.534 -4.365 -5.338 182 2HD ARG 25 1HD ARG 25 11.930 -4.976 -6.225 183 HE ARG 25 HE ARG 25 12.964 -2.787 -6.019 184 1HH1 ARG 25 1HH2 ARG 25 11.875 -3.448 -3.213 185 2HH1 ARG 25 2HH2 ARG 25 11.188 -1.921 -2.768 186 1HH2 ARG 25 2HH1 ARG 25 11.226 -0.661 -6.007 187 2HH2 ARG 25 1HH1 ARG 25 10.820 -0.339 -4.354 188 HA PRO 26 HA PRO 26 4.675 -2.215 -7.402 189 1HB PRO 26 2HB PRO 26 4.267 0.164 -6.081 190 2HB PRO 26 1HB PRO 26 4.775 -1.326 -5.270 191 1HG PRO 26 2HG PRO 26 6.386 1.095 -5.930 192 2HG PRO 26 1HG PRO 26 6.616 -0.086 -4.630 193 1HD PRO 26 2HD PRO 26 8.081 0.018 -7.041 194 2HD PRO 26 1HD PRO 26 8.050 -1.341 -5.900 195 H PHE 27 H PHE 27 3.342 -1.653 -9.095 196 HA PHE 27 HA PHE 27 2.391 -0.448 -10.865 197 1HB PHE 27 2HB PHE 27 3.594 1.810 -9.257 198 2HB PHE 27 1HB PHE 27 2.823 2.112 -10.810 199 HD1 PHE 27 HD1 PHE 27 2.248 0.539 -7.469 200 HD2 PHE 27 HD2 PHE 27 0.474 2.254 -10.984 201 HE1 PHE 27 HE1 PHE 27 0.021 0.470 -6.379 202 HE2 PHE 27 HE2 PHE 27 -1.752 2.185 -9.894 203 HZ PHE 27 HZ PHE 27 -1.978 1.293 -7.592 204 H CYS 28 H CYS 28 3.161 1.113 -12.763 205 HA CYS 28 HA CYS 28 5.888 0.174 -13.524 206 1HB CYS 28 2HB CYS 28 5.203 0.542 -15.835 207 2HB CYS 28 1HB CYS 28 3.997 -0.449 -15.017 208 H SER 29 H SER 29 3.978 3.105 -13.042 209 HA SER 29 HA SER 29 6.476 4.684 -13.297 210 1HB SER 29 2HB SER 29 4.663 4.593 -15.398 211 2HB SER 29 1HB SER 29 4.203 6.057 -14.534 212 HG SER 29 HG SER 29 5.829 6.528 -16.018 213 H LYS 30 H LYS 30 6.220 6.891 -12.398 214 HA LYS 30 HA LYS 30 4.874 6.902 -9.871 215 1HB LYS 30 2HB LYS 30 6.654 8.631 -11.326 216 2HB LYS 30 1HB LYS 30 5.319 9.593 -10.697 217 1HG LYS 30 2HG LYS 30 6.636 7.588 -8.893 218 2HG LYS 30 1HG LYS 30 7.439 9.130 -9.191 219 1HD LYS 30 2HD LYS 30 6.048 10.169 -7.766 220 2HD LYS 30 1HD LYS 30 4.652 9.617 -8.692 221 1HE LYS 30 2HE LYS 30 4.795 7.420 -7.487 222 2HE LYS 30 1HE LYS 30 6.073 8.104 -6.480 223 1HZ LYS 30 1HZ LYS 30 4.609 9.664 -5.567 224 2HZ LYS 30 2HZ LYS 30 3.718 8.218 -5.590 225 3HZ LYS 30 3HZ LYS 30 3.431 9.412 -6.763 226 H ARG 31 H ARG 31 4.018 8.305 -13.029 227 HA ARG 31 HA ARG 31 1.686 9.743 -12.186 228 1HB ARG 31 2HB ARG 31 3.034 9.218 -14.625 229 2HB ARG 31 1HB ARG 31 1.377 8.662 -14.852 230 1HG ARG 31 2HG ARG 31 1.061 10.877 -15.373 231 2HG ARG 31 1HG ARG 31 0.852 10.990 -13.625 232 1HD ARG 31 2HD ARG 31 3.652 11.116 -14.172 233 2HD ARG 31 1HD ARG 31 2.842 12.248 -15.255 234 HE ARG 31 HE ARG 31 1.797 13.255 -13.196 235 1HH1 ARG 31 2HH1 ARG 31 4.830 13.630 -13.264 236 2HH1 ARG 31 1HH1 ARG 31 5.248 13.247 -11.627 237 1HH2 ARG 31 1HH2 ARG 31 2.209 11.711 -10.938 238 2HH2 ARG 31 2HH2 ARG 31 3.757 12.159 -10.306 239 H CYS 32 H CYS 32 2.079 6.414 -13.449 240 HA CYS 32 HA CYS 32 -0.671 5.701 -13.486 241 1HB CYS 32 2HB CYS 32 1.910 4.261 -13.472 242 2HB CYS 32 1HB CYS 32 0.554 3.344 -12.815 243 H GLN 33 H GLN 33 1.752 5.250 -10.882 244 HA GLN 33 HA GLN 33 -0.088 4.176 -8.960 245 1HB GLN 33 2HB GLN 33 2.480 4.164 -8.861 246 2HB GLN 33 1HB GLN 33 2.354 5.824 -8.277 247 1HG GLN 33 2HG GLN 33 0.894 5.055 -6.430 248 2HG GLN 33 1HG GLN 33 1.066 3.394 -6.997 249 1HE2 GLN 33 1HE2 GLN 33 2.920 6.145 -5.651 250 2HE2 GLN 33 2HE2 GLN 33 4.204 5.201 -5.067 251 H LEU 34 H LEU 34 0.813 7.482 -9.840 252 HA LEU 34 HA LEU 34 -0.456 8.804 -7.631 253 1HB LEU 34 2HB LEU 34 1.177 9.683 -9.550 254 2HB LEU 34 1HB LEU 34 -0.346 10.104 -10.330 255 HG LEU 34 HG LEU 34 -0.997 11.233 -8.137 256 1HD1 LEU 34 1HD1 LEU 34 1.987 10.974 -7.650 257 2HD1 LEU 34 2HD1 LEU 34 0.739 10.106 -6.753 258 3HD1 LEU 34 3HD1 LEU 34 0.844 11.864 -6.642 259 1HD2 LEU 34 1HD2 LEU 34 1.425 12.630 -9.143 260 2HD2 LEU 34 2HD2 LEU 34 -0.224 13.226 -8.960 261 3HD2 LEU 34 3HD2 LEU 34 0.200 12.217 -10.343 262 H ILE 35 H ILE 35 -1.612 8.729 -11.034 263 HA ILE 35 HA ILE 35 -4.246 9.563 -10.571 264 HB ILE 35 HB ILE 35 -3.263 7.551 -12.621 265 1HG1 ILE 35 2HG1 ILE 35 -3.901 10.416 -13.217 266 2HG1 ILE 35 1HG1 ILE 35 -2.383 10.065 -12.390 267 1HG2 ILE 35 1HG2 ILE 35 -5.799 9.223 -12.545 268 2HG2 ILE 35 2HG2 ILE 35 -5.716 7.470 -12.363 269 3HG2 ILE 35 3HG2 ILE 35 -5.278 8.218 -13.899 270 1HD1 ILE 35 1HD1 ILE 35 -2.025 10.072 -14.814 271 2HD1 ILE 35 2HD1 ILE 35 -3.297 8.868 -15.022 272 3HD1 ILE 35 3HD1 ILE 35 -1.807 8.441 -14.180 273 H ASP 36 H ASP 36 -2.850 6.381 -9.959 274 HA ASP 36 HA ASP 36 -5.174 4.796 -9.803 275 1HB ASP 36 2HB ASP 36 -2.697 4.116 -9.496 276 2HB ASP 36 1HB ASP 36 -2.929 4.549 -7.803 277 H LEU 37 H LEU 37 -3.759 6.913 -7.283 278 HA LEU 37 HA LEU 37 -5.664 6.257 -5.236 279 1HB LEU 37 2HB LEU 37 -3.752 8.501 -5.734 280 2HB LEU 37 1HB LEU 37 -5.014 8.753 -4.532 281 HG LEU 37 HG LEU 37 -3.599 6.156 -4.363 282 1HD1 LEU 37 1HD1 LEU 37 -1.792 7.829 -4.956 283 2HD1 LEU 37 2HD1 LEU 37 -1.589 7.059 -3.382 284 3HD1 LEU 37 3HD1 LEU 37 -2.215 8.705 -3.484 285 1HD2 LEU 37 1HD2 LEU 37 -4.427 6.288 -2.263 286 2HD2 LEU 37 2HD2 LEU 37 -5.258 7.763 -2.763 287 3HD2 LEU 37 3HD2 LEU 37 -3.669 7.860 -2.002 288 H GLY 38 H GLY 38 -5.510 9.178 -7.319 289 1HA GLY 38 2HA GLY 38 -7.499 9.897 -8.590 290 2HA GLY 38 1HA GLY 38 -8.502 9.210 -7.317 291 H GLU 39 H GLU 39 -5.704 11.032 -6.314 292 HA GLU 39 HA GLU 39 -7.484 13.353 -5.665 293 1HB GLU 39 2HB GLU 39 -5.355 11.983 -4.009 294 2HB GLU 39 1HB GLU 39 -5.874 13.633 -3.663 295 1HG GLU 39 2HG GLU 39 -7.484 12.651 -2.399 296 2HG GLU 39 1HG GLU 39 -8.283 12.339 -3.939 297 H TRP 40 H TRP 40 -6.087 13.295 -8.066 298 HA TRP 40 HA TRP 40 -3.956 15.335 -7.590 299 1HB TRP 40 2HB TRP 40 -3.784 13.286 -9.805 300 2HB TRP 40 1HB TRP 40 -2.502 14.316 -9.162 301 HD1 TRP 40 HD1 TRP 40 -4.058 10.975 -8.752 302 HE1 TRP 40 HE1 TRP 40 -3.103 9.781 -6.685 303 HE3 TRP 40 HE3 TRP 40 -1.561 14.847 -6.548 304 HZ2 TRP 40 HZ2 TRP 40 -1.510 10.363 -4.407 305 HZ3 TRP 40 HZ3 TRP 40 -0.329 14.496 -4.423 306 HH2 TRP 40 HH2 TRP 40 -0.299 12.260 -3.348 307 H ALA 41 H ALA 41 -4.597 17.199 -8.530 308 HA ALA 41 HA ALA 41 -6.657 17.148 -10.645 309 1HB ALA 41 1HB ALA 41 -6.978 18.731 -8.833 310 2HB ALA 41 2HB ALA 41 -6.639 19.635 -10.309 311 3HB ALA 41 3HB ALA 41 -5.375 19.417 -9.099 312 H ALA 42 H ALA 42 -5.652 16.584 -12.587 313 HA ALA 42 HA ALA 42 -3.147 17.917 -13.392 314 1HB ALA 42 1HB ALA 42 -3.796 15.465 -13.913 315 2HB ALA 42 2HB ALA 42 -3.103 16.419 -15.224 316 3HB ALA 42 3HB ALA 42 -4.845 16.149 -15.155 317 H GLU 43 H GLU 43 -6.566 17.846 -14.372 318 HA GLU 43 HA GLU 43 -7.844 19.304 -15.679 319 1HB GLU 43 2HB GLU 43 -6.337 20.829 -13.814 320 2HB GLU 43 1HB GLU 43 -6.323 21.724 -15.334 321 1HG GLU 43 2HG GLU 43 -8.864 20.561 -14.171 322 2HG GLU 43 1HG GLU 43 -8.301 22.180 -13.763 323 H GLU 44 H GLU 44 -7.451 18.595 -17.801 324 HA GLU 44 HA GLU 44 -5.083 19.695 -19.227 325 1HB GLU 44 2HB GLU 44 -6.912 17.376 -19.626 326 2HB GLU 44 1HB GLU 44 -6.230 18.116 -21.074 327 1HG GLU 44 2HG GLU 44 -4.544 16.604 -20.577 328 2HG GLU 44 1HG GLU 44 -3.981 17.998 -19.654 329 H LYS 45 H LYS 45 -8.576 20.046 -19.094 330 HA LYS 45 HA LYS 45 -8.528 21.651 -21.605 331 1HB LYS 45 2HB LYS 45 -10.762 20.403 -20.004 332 2HB LYS 45 1HB LYS 45 -11.063 21.549 -21.309 333 1HG LYS 45 2HG LYS 45 -9.181 19.597 -22.244 334 2HG LYS 45 1HG LYS 45 -10.549 18.752 -21.517 335 1HD LYS 45 2HD LYS 45 -11.734 19.165 -23.381 336 2HD LYS 45 1HD LYS 45 -11.655 20.885 -23.002 337 1HE LYS 45 2HE LYS 45 -9.952 21.277 -24.492 338 2HE LYS 45 1HE LYS 45 -9.245 19.675 -24.271 339 1HZ LYS 45 1HZ LYS 45 -11.299 18.818 -25.441 340 2HZ LYS 45 2HZ LYS 45 -10.181 19.660 -26.403 341 3HZ LYS 45 3HZ LYS 45 -11.608 20.426 -25.889 342 H ARG 46 H ARG 46 -8.678 23.830 -21.555 343 HA ARG 46 HA ARG 46 -9.041 25.200 -18.957 344 1HB ARG 46 2HB ARG 46 -8.360 26.249 -21.722 345 2HB ARG 46 1HB ARG 46 -8.488 27.256 -20.280 346 1HG ARG 46 2HG ARG 46 -6.626 24.875 -20.456 347 2HG ARG 46 1HG ARG 46 -6.132 26.514 -20.880 348 1HD ARG 46 2HD ARG 46 -5.537 26.548 -18.658 349 2HD ARG 46 1HD ARG 46 -7.223 27.036 -18.485 350 HE ARG 46 HE ARG 46 -7.745 24.826 -17.683 351 1HH1 ARG 46 1HH2 ARG 46 -5.143 25.425 -16.225 352 2HH1 ARG 46 2HH2 ARG 46 -4.277 23.941 -16.455 353 1HH2 ARG 46 2HH1 ARG 46 -6.350 22.830 -19.017 354 2HH2 ARG 46 1HH1 ARG 46 -4.964 22.465 -18.042 355 H ILE 47 H ILE 47 -10.410 27.373 -19.229 356 HA ILE 47 HA ILE 47 -12.506 28.366 -19.573 357 HB ILE 47 HB ILE 47 -12.883 26.383 -21.839 358 1HG1 ILE 47 2HG1 ILE 47 -10.782 27.520 -22.260 359 2HG1 ILE 47 1HG1 ILE 47 -12.007 28.250 -23.294 360 1HG2 ILE 47 1HG2 ILE 47 -14.001 29.169 -21.421 361 2HG2 ILE 47 2HG2 ILE 47 -14.869 27.683 -21.038 362 3HG2 ILE 47 3HG2 ILE 47 -14.426 28.039 -22.708 363 1HD1 ILE 47 1HD1 ILE 47 -11.124 29.366 -20.614 364 2HD1 ILE 47 2HD1 ILE 47 -12.265 30.115 -21.732 365 3HD1 ILE 47 3HD1 ILE 47 -10.567 29.952 -22.182 366 HA PRO 48 HA PRO 48 -14.541 25.176 -17.127 367 1HB PRO 48 2HB PRO 48 -15.924 26.990 -15.586 368 2HB PRO 48 1HB PRO 48 -14.260 26.484 -15.255 369 1HG PRO 48 2HG PRO 48 -15.251 29.039 -16.450 370 2HG PRO 48 1HG PRO 48 -13.796 28.742 -15.483 371 1HD PRO 48 2HD PRO 48 -13.838 29.043 -18.272 372 2HD PRO 48 1HD PRO 48 -12.517 28.301 -17.342 373 H SER 49 H SER 49 -15.802 24.486 -18.943 374 HA SER 49 HA SER 49 -18.578 25.496 -18.929 375 1HB SER 49 2HB SER 49 -18.530 25.533 -21.496 376 2HB SER 49 1HB SER 49 -17.739 26.878 -20.680 377 HG SER 49 HG SER 49 -16.562 25.734 -22.446 378 H SER 50 H SER 50 -16.301 23.221 -20.540 379 HA SER 50 HA SER 50 -18.238 21.038 -19.983 380 1HB SER 50 2HB SER 50 -17.875 22.216 -22.557 381 2HB SER 50 1HB SER 50 -17.172 20.602 -22.603 382 HG SER 50 HG SER 50 -19.459 20.693 -23.061 383 H GLY 51 H GLY 51 -15.119 21.569 -21.708 384 1HA GLY 51 2HA GLY 51 -14.085 18.981 -20.943 385 2HA GLY 51 1HA GLY 51 -13.149 20.286 -21.667 386 H ASP 52 H ASP 52 -13.789 22.228 -19.566 387 HA ASP 52 HA ASP 52 -11.625 21.833 -17.802 388 1HB ASP 52 2HB ASP 52 -13.242 23.912 -18.293 389 2HB ASP 52 1HB ASP 52 -13.979 23.360 -16.793 390 H LEU 53 H LEU 53 -11.386 20.829 -15.838 391 HA LEU 53 HA LEU 53 -13.280 18.815 -15.015 392 1HB LEU 53 2HB LEU 53 -10.601 19.549 -14.365 393 2HB LEU 53 1HB LEU 53 -11.515 19.522 -12.857 394 HG LEU 53 HG LEU 53 -12.281 17.262 -14.467 395 1HD1 LEU 53 1HD1 LEU 53 -9.963 16.131 -14.231 396 2HD1 LEU 53 2HD1 LEU 53 -9.325 17.774 -14.139 397 3HD1 LEU 53 3HD1 LEU 53 -10.196 17.244 -15.579 398 1HD2 LEU 53 1HD2 LEU 53 -11.009 17.779 -11.786 399 2HD2 LEU 53 2HD2 LEU 53 -11.146 16.126 -12.389 400 3HD2 LEU 53 3HD2 LEU 53 -12.597 17.102 -12.146 401 H SER 54 H SER 54 -12.458 22.064 -13.810 402 HA SER 54 HA SER 54 -14.712 21.913 -11.871 403 1HB SER 54 2HB SER 54 -12.140 23.178 -11.846 404 2HB SER 54 1HB SER 54 -13.368 24.437 -11.772 405 HG SER 54 HG SER 54 -13.054 23.780 -9.699 406 H GLU 55 H GLU 55 -16.597 22.367 -12.972 407 HA GLU 55 HA GLU 55 -16.621 24.430 -15.081 408 1HB GLU 55 2HB GLU 55 -18.150 22.122 -14.524 409 2HB GLU 55 1HB GLU 55 -19.250 23.486 -14.323 410 1HG GLU 55 2HG GLU 55 -19.450 23.195 -16.606 411 2HG GLU 55 1HG GLU 55 -18.069 24.289 -16.585 412 H SER 56 H SER 56 -17.472 26.480 -14.829 413 HA SER 56 HA SER 56 -18.369 27.212 -12.073 414 1HB SER 56 2HB SER 56 -16.244 28.212 -13.500 415 2HB SER 56 1HB SER 56 -17.503 29.383 -13.878 416 HG SER 56 HG SER 56 -16.487 30.005 -11.986 417 H ASP 57 H ASP 57 -20.612 27.158 -12.186 418 HA ASP 57 HA ASP 57 -22.061 28.142 -14.540 419 1HB ASP 57 2HB ASP 57 -22.761 26.320 -12.710 420 2HB ASP 57 1HB ASP 57 -23.427 27.739 -11.901 421 H ASP 58 H ASP 58 -21.524 29.230 -11.182 422 HA ASP 58 HA ASP 58 -21.685 31.341 -10.191 423 1HB ASP 58 2HB ASP 58 -21.342 32.303 -13.051 424 2HB ASP 58 1HB ASP 58 -21.067 33.259 -11.596 425 H TRP 59 H TRP 59 -22.903 33.681 -10.761 426 HA TRP 59 HA TRP 59 -25.749 32.904 -10.950 427 1HB TRP 59 2HB TRP 59 -24.532 34.555 -9.225 428 2HB TRP 59 1HB TRP 59 -24.915 35.732 -10.480 429 HD1 TRP 59 HD1 TRP 59 -26.935 36.955 -9.466 430 HE1 TRP 59 HE1 TRP 59 -29.284 36.241 -8.693 431 HE3 TRP 59 HE3 TRP 59 -26.436 31.858 -9.645 432 HZ2 TRP 59 HZ2 TRP 59 -30.757 33.840 -8.198 433 HZ3 TRP 59 HZ3 TRP 59 -28.329 30.389 -9.011 434 HH2 TRP 59 HH2 TRP 59 -30.487 31.374 -8.289 435 H SER 60 H SER 60 -26.748 33.016 -12.894 436 HA SER 60 HA SER 60 -25.650 34.827 -14.988 437 1HB SER 60 2HB SER 60 -26.534 32.200 -15.119 438 2HB SER 60 1HB SER 60 -27.912 33.105 -15.738 439 HG SER 60 HG SER 60 -25.828 32.460 -17.083 440 H GLU 61 H GLU 61 -26.516 36.806 -14.207 441 HA GLU 61 HA GLU 61 -29.176 37.265 -13.345 442 1HB GLU 61 2HB GLU 61 -26.992 38.967 -14.472 443 2HB GLU 61 1HB GLU 61 -28.616 39.651 -14.435 444 1HG GLU 61 2HG GLU 61 -27.874 40.277 -12.329 445 2HG GLU 61 1HG GLU 61 -28.589 38.714 -11.945 446 H GLU 62 H GLU 62 -27.795 37.372 -16.633 447 HA GLU 62 HA GLU 62 -30.454 37.929 -17.799 448 1HB GLU 62 2HB GLU 62 -27.789 38.471 -18.574 449 2HB GLU 62 1HB GLU 62 -28.403 37.305 -19.746 450 1HG GLU 62 2HG GLU 62 -30.022 38.743 -20.541 451 2HG GLU 62 1HG GLU 62 -30.200 39.566 -18.992 452 HA PRO 63 HA PRO 63 -31.098 33.550 -18.404 453 1HB PRO 63 2HB PRO 63 -33.542 33.820 -19.631 454 2HB PRO 63 1HB PRO 63 -33.317 33.939 -17.880 455 1HG PRO 63 2HG PRO 63 -33.828 36.108 -19.859 456 2HG PRO 63 1HG PRO 63 -34.194 36.063 -18.126 457 1HD PRO 63 2HD PRO 63 -32.015 37.416 -19.341 458 2HD PRO 63 1HD PRO 63 -32.225 37.119 -17.603 459 H LYS 64 H LYS 64 -30.232 32.379 -20.098 460 HA LYS 64 HA LYS 64 -30.287 33.611 -22.822 461 1HB LYS 64 2HB LYS 64 -28.184 32.460 -21.304 462 2HB LYS 64 1HB LYS 64 -28.506 31.356 -22.639 463 1HG LYS 64 2HG LYS 64 -28.261 33.161 -24.255 464 2HG LYS 64 1HG LYS 64 -28.100 34.335 -22.959 465 1HD LYS 64 2HD LYS 64 -26.182 32.319 -22.445 466 2HD LYS 64 1HD LYS 64 -26.077 32.674 -24.169 467 1HE LYS 64 2HE LYS 64 -24.598 34.210 -23.083 468 2HE LYS 64 1HE LYS 64 -26.023 35.143 -23.534 469 1HZ LYS 64 1HZ LYS 64 -25.201 34.177 -20.870 470 2HZ LYS 64 2HZ LYS 64 -26.839 34.490 -21.182 471 3HZ LYS 64 3HZ LYS 64 -25.685 35.735 -21.336 472 H GLN 65 HN GLN 65 -31.605 32.696 -24.272 473 HA GLN 65 HA GLN 65 -32.503 29.885 -23.807 474 1HB GLN 65 2HB GLN 65 -33.826 32.319 -24.895 475 2HB GLN 65 1HB GLN 65 -34.227 30.795 -25.686 476 1HG GLN 65 2HG GLN 65 -35.763 30.615 -24.007 477 2HG GLN 65 1HG GLN 65 -34.380 30.047 -23.070 478 1HE2 GLN 65 1HE2 GLN 65 -33.555 31.438 -21.400 479 2HE2 GLN 65 2HE2 GLN 65 -34.290 32.910 -20.991 Start of MODEL 9 1 H MET 1 1H MET 1 8.593 -22.215 -12.926 2 HA MET 1 HA MET 1 9.476 -22.040 -10.912 3 1HB MET 1 2HB MET 1 11.755 -22.404 -12.329 4 2HB MET 1 1HB MET 1 12.053 -20.781 -11.703 5 1HG MET 1 2HG MET 1 12.879 -22.070 -9.956 6 2HG MET 1 1HG MET 1 11.210 -21.849 -9.433 7 1HE MET 1 1HE MET 1 11.176 -23.479 -7.939 8 2HE MET 1 2HE MET 1 12.536 -24.589 -8.085 9 3HE MET 1 3HE MET 1 10.895 -25.199 -8.230 10 H SER 2 H SER 2 8.666 -20.468 -9.648 11 HA SER 2 HA SER 2 9.115 -17.634 -10.490 12 1HB SER 2 2HB SER 2 6.684 -19.099 -9.748 13 2HB SER 2 1HB SER 2 6.876 -17.579 -8.880 14 HG SER 2 HG SER 2 6.281 -16.651 -10.659 15 H GLU 3 H GLU 3 10.957 -17.357 -9.175 16 HA GLU 3 HA GLU 3 10.604 -17.612 -6.224 17 1HB GLU 3 2HB GLU 3 13.057 -16.772 -6.237 18 2HB GLU 3 1HB GLU 3 12.772 -18.402 -6.841 19 1HG GLU 3 2HG GLU 3 12.918 -17.670 -9.126 20 2HG GLU 3 1HG GLU 3 12.895 -15.973 -8.647 21 H THR 4 H THR 4 10.939 -15.329 -8.862 22 HA THR 4 HA THR 4 10.584 -13.024 -7.002 23 HB THR 4 HB THR 4 11.363 -13.002 -9.938 24 HG1 THR 4 HG1 THR 4 13.180 -13.706 -9.158 25 1HG2 THR 4 1HG2 THR 4 11.919 -10.706 -9.570 26 2HG2 THR 4 2HG2 THR 4 11.713 -10.869 -7.828 27 3HG2 THR 4 3HG2 THR 4 10.310 -10.943 -8.893 28 H ILE 5 H ILE 5 8.478 -12.378 -6.840 29 HA ILE 5 HA ILE 5 6.540 -13.144 -8.933 30 HB ILE 5 HB ILE 5 4.844 -12.177 -7.361 31 1HG1 ILE 5 2HG1 ILE 5 6.935 -12.022 -5.225 32 2HG1 ILE 5 1HG1 ILE 5 6.805 -10.659 -6.335 33 1HG2 ILE 5 1HG2 ILE 5 5.189 -14.500 -7.133 34 2HG2 ILE 5 2HG2 ILE 5 5.375 -13.886 -5.490 35 3HG2 ILE 5 3HG2 ILE 5 6.801 -14.283 -6.448 36 1HD1 ILE 5 1HD1 ILE 5 4.500 -10.302 -5.767 37 2HD1 ILE 5 2HD1 ILE 5 5.368 -10.490 -4.244 38 3HD1 ILE 5 3HD1 ILE 5 4.417 -11.828 -4.888 39 H THR 6 H THR 6 5.126 -11.575 -9.953 40 HA THR 6 HA THR 6 6.337 -8.842 -10.130 41 HB THR 6 HB THR 6 5.569 -8.831 -12.511 42 HG1 THR 6 HG1 THR 6 5.205 -11.615 -12.181 43 1HG2 THR 6 1HG2 THR 6 7.564 -10.818 -11.474 44 2HG2 THR 6 2HG2 THR 6 7.839 -9.320 -12.364 45 3HG2 THR 6 3HG2 THR 6 7.237 -10.748 -13.206 46 H VAL 7 H VAL 7 4.973 -7.226 -9.600 47 HA VAL 7 HA VAL 7 2.107 -7.811 -9.185 48 HB VAL 7 HB VAL 7 3.419 -6.516 -7.488 49 1HG1 VAL 7 1HG1 VAL 7 4.215 -4.312 -7.944 50 2HG1 VAL 7 2HG1 VAL 7 3.393 -4.259 -9.503 51 3HG1 VAL 7 3HG1 VAL 7 4.792 -5.309 -9.278 52 1HG2 VAL 7 1HG2 VAL 7 0.900 -6.255 -7.910 53 2HG2 VAL 7 2HG2 VAL 7 1.305 -4.756 -8.748 54 3HG2 VAL 7 3HG2 VAL 7 1.689 -4.942 -7.036 55 H ASN 8 H ASN 8 0.486 -7.056 -10.525 56 HA ASN 8 HA ASN 8 1.337 -5.790 -13.060 57 1HB ASN 8 2HB ASN 8 -0.519 -7.747 -12.491 58 2HB ASN 8 1HB ASN 8 -1.534 -6.319 -12.694 59 1HD2 ASN 8 1HD2 ASN 8 -1.625 -5.326 -14.814 60 2HD2 ASN 8 2HD2 ASN 8 -0.943 -6.063 -16.184 61 H CYS 9 H CYS 9 0.931 -3.692 -13.570 62 HA CYS 9 HA CYS 9 0.096 -1.804 -11.579 63 1HB CYS 9 2HB CYS 9 1.555 -1.417 -13.680 64 2HB CYS 9 1HB CYS 9 0.031 -1.286 -14.556 65 HA PRO 10 HA PRO 10 -4.282 -2.493 -12.178 66 1HB PRO 10 2HB PRO 10 -5.065 -0.836 -10.130 67 2HB PRO 10 1HB PRO 10 -4.484 -2.493 -9.891 68 1HG PRO 10 2HG PRO 10 -3.082 0.082 -9.354 69 2HG PRO 10 1HG PRO 10 -2.848 -1.502 -8.597 70 1HD PRO 10 2HD PRO 10 -1.195 -0.349 -10.588 71 2HD PRO 10 1HD PRO 10 -1.165 -2.043 -10.053 72 H THR 11 H THR 11 -2.550 0.468 -12.596 73 HA THR 11 HA THR 11 -4.949 2.043 -13.287 74 HB THR 11 HB THR 11 -1.987 2.700 -13.359 75 HG1 THR 11 HG1 THR 11 -2.449 2.993 -11.337 76 1HG2 THR 11 1HG2 THR 11 -3.153 5.103 -13.503 77 2HG2 THR 11 2HG2 THR 11 -4.392 4.171 -14.344 78 3HG2 THR 11 3HG2 THR 11 -2.736 4.190 -14.953 79 H CYS 12 H CYS 12 -1.963 1.006 -15.008 80 HA CYS 12 HA CYS 12 -3.443 1.349 -17.574 81 1HB CYS 12 2HB CYS 12 -1.285 1.419 -18.661 82 2HB CYS 12 1HB CYS 12 -1.241 2.516 -17.282 83 H GLY 13 H GLY 13 -1.791 -1.068 -15.593 84 1HA GLY 13 2HA GLY 13 -2.348 -3.415 -15.688 85 2HA GLY 13 1HA GLY 13 -2.955 -3.178 -17.325 86 H LYS 14 H LYS 14 0.096 -3.166 -15.438 87 HA LYS 14 HA LYS 14 1.391 -4.488 -17.755 88 1HB LYS 14 2HB LYS 14 1.802 -1.743 -17.138 89 2HB LYS 14 1HB LYS 14 3.284 -2.603 -16.709 90 1HG LYS 14 2HG LYS 14 3.105 -3.762 -18.970 91 2HG LYS 14 1HG LYS 14 1.849 -2.598 -19.374 92 1HD LYS 14 2HD LYS 14 3.350 -0.772 -19.247 93 2HD LYS 14 1HD LYS 14 4.557 -1.718 -18.379 94 1HE LYS 14 2HE LYS 14 5.155 -2.949 -20.307 95 2HE LYS 14 1HE LYS 14 3.683 -2.492 -21.163 96 1HZ LYS 14 1HZ LYS 14 4.491 -0.191 -21.183 97 2HZ LYS 14 2HZ LYS 14 5.548 -1.245 -21.998 98 3HZ LYS 14 3HZ LYS 14 5.926 -0.692 -20.440 99 H THR 15 H THR 15 2.883 -5.974 -17.191 100 HA THR 15 HA THR 15 3.042 -6.853 -14.438 101 HB THR 15 HB THR 15 4.776 -7.750 -16.754 102 HG1 THR 15 HG1 THR 15 2.130 -8.497 -16.053 103 1HG2 THR 15 1HG2 THR 15 4.297 -8.654 -14.023 104 2HG2 THR 15 2HG2 THR 15 5.564 -9.126 -15.155 105 3HG2 THR 15 3HG2 THR 15 3.993 -9.925 -15.207 106 H VAL 16 H VAL 16 4.278 -5.786 -12.964 107 HA VAL 16 HA VAL 16 6.986 -4.812 -13.805 108 HB VAL 16 HB VAL 16 5.289 -3.766 -11.511 109 1HG1 VAL 16 1HG1 VAL 16 8.063 -3.416 -12.348 110 2HG1 VAL 16 2HG1 VAL 16 7.275 -2.907 -10.856 111 3HG1 VAL 16 3HG1 VAL 16 7.201 -1.878 -12.286 112 1HG2 VAL 16 1HG2 VAL 16 5.184 -1.703 -13.048 113 2HG2 VAL 16 2HG2 VAL 16 4.170 -3.073 -13.499 114 3HG2 VAL 16 3HG2 VAL 16 5.691 -2.784 -14.346 115 H VAL 17 H VAL 17 8.696 -5.754 -12.741 116 HA VAL 17 HA VAL 17 8.368 -8.050 -11.127 117 HB VAL 17 HB VAL 17 10.462 -7.395 -12.362 118 1HG1 VAL 17 1HG1 VAL 17 11.815 -6.030 -10.274 119 2HG1 VAL 17 2HG1 VAL 17 10.315 -5.152 -10.566 120 3HG1 VAL 17 3HG1 VAL 17 11.443 -5.430 -11.890 121 1HG2 VAL 17 1HG2 VAL 17 10.914 -8.006 -9.429 122 2HG2 VAL 17 2HG2 VAL 17 11.936 -8.478 -10.787 123 3HG2 VAL 17 3HG2 VAL 17 10.335 -9.193 -10.596 124 H TRP 18 H TRP 18 8.313 -8.425 -8.935 125 HA TRP 18 HA TRP 18 8.172 -6.021 -7.154 126 1HB TRP 18 2HB TRP 18 5.943 -7.016 -7.481 127 2HB TRP 18 1HB TRP 18 6.563 -8.594 -6.995 128 HD1 TRP 18 HD1 TRP 18 6.660 -9.113 -4.481 129 HE1 TRP 18 HE1 TRP 18 6.157 -7.784 -2.331 130 HE3 TRP 18 HE3 TRP 18 6.037 -4.451 -6.459 131 HZ2 TRP 18 HZ2 TRP 18 5.571 -5.097 -1.556 132 HZ3 TRP 18 HZ3 TRP 18 5.509 -2.526 -4.993 133 HH2 TRP 18 HH2 TRP 18 5.274 -2.842 -2.546 134 H GLY 19 H GLY 19 9.017 -6.315 -5.010 135 1HA GLY 19 2HA GLY 19 9.930 -8.035 -3.364 136 2HA GLY 19 1HA GLY 19 10.848 -8.670 -4.730 137 H GLU 20 H GLU 20 12.746 -7.626 -5.351 138 HA GLU 20 HA GLU 20 13.395 -4.952 -4.370 139 1HB GLU 20 2HB GLU 20 15.424 -5.695 -3.102 140 2HB GLU 20 1HB GLU 20 13.915 -6.203 -2.348 141 1HG GLU 20 2HG GLU 20 14.874 -8.168 -4.287 142 2HG GLU 20 1HG GLU 20 16.059 -7.864 -3.016 143 H ILE 21 H ILE 21 13.218 -5.647 -6.957 144 HA ILE 21 HA ILE 21 16.048 -6.009 -7.856 145 HB ILE 21 HB ILE 21 13.454 -6.788 -9.218 146 1HG1 ILE 21 2HG1 ILE 21 15.517 -8.815 -9.029 147 2HG1 ILE 21 1HG1 ILE 21 15.175 -8.149 -7.432 148 1HG2 ILE 21 1HG2 ILE 21 15.898 -5.965 -10.414 149 2HG2 ILE 21 2HG2 ILE 21 14.511 -6.714 -11.204 150 3HG2 ILE 21 3HG2 ILE 21 15.816 -7.719 -10.574 151 1HD1 ILE 21 1HD1 ILE 21 13.712 -10.100 -8.071 152 2HD1 ILE 21 2HD1 ILE 21 13.030 -9.093 -9.348 153 3HD1 ILE 21 3HD1 ILE 21 12.820 -8.634 -7.659 154 H SER 22 H SER 22 12.960 -4.531 -8.894 155 HA SER 22 HA SER 22 14.471 -2.422 -10.338 156 1HB SER 22 2HB SER 22 11.693 -3.485 -10.406 157 2HB SER 22 1HB SER 22 11.880 -1.768 -10.751 158 HG SER 22 HG SER 22 12.083 -3.095 -12.624 159 HA PRO 23 HA PRO 23 13.759 0.659 -7.274 160 1HB PRO 23 2HB PRO 23 13.362 2.884 -8.845 161 2HB PRO 23 1HB PRO 23 14.946 2.133 -8.586 162 1HG PRO 23 2HG PRO 23 13.186 2.022 -10.993 163 2HG PRO 23 1HG PRO 23 14.948 1.878 -10.883 164 1HD PRO 23 2HD PRO 23 13.142 -0.267 -11.208 165 2HD PRO 23 1HD PRO 23 14.848 -0.408 -10.730 166 H PHE 24 H PHE 24 11.363 0.637 -9.925 167 HA PHE 24 HA PHE 24 9.297 1.630 -8.010 168 1HB PHE 24 2HB PHE 24 9.883 2.549 -10.530 169 2HB PHE 24 1HB PHE 24 8.584 1.407 -10.873 170 HD1 PHE 24 HD1 PHE 24 6.352 2.063 -10.567 171 HD2 PHE 24 HD2 PHE 24 9.478 4.200 -8.539 172 HE1 PHE 24 HE1 PHE 24 4.691 3.706 -9.738 173 HE2 PHE 24 HE2 PHE 24 7.816 5.843 -7.710 174 HZ PHE 24 HZ PHE 24 5.423 5.596 -8.309 175 H ARG 25 H ARG 25 9.589 -0.757 -7.239 176 HA ARG 25 HA ARG 25 8.684 -2.970 -8.754 177 1HB ARG 25 2HB ARG 25 8.704 -2.377 -5.803 178 2HB ARG 25 1HB ARG 25 7.976 -3.862 -6.409 179 1HG ARG 25 2HG ARG 25 9.988 -4.747 -7.064 180 2HG ARG 25 1HG ARG 25 10.670 -3.172 -7.469 181 1HD ARG 25 2HD ARG 25 10.071 -3.530 -4.603 182 2HD ARG 25 1HD ARG 25 11.317 -4.611 -5.224 183 HE ARG 25 HE ARG 25 12.206 -2.266 -6.202 184 1HH1 ARG 25 1HH2 ARG 25 13.546 -3.242 -3.772 185 2HH1 ARG 25 2HH2 ARG 25 13.265 -1.973 -2.630 186 1HH2 ARG 25 2HH1 ARG 25 10.700 -0.523 -4.463 187 2HH2 ARG 25 1HH1 ARG 25 11.656 -0.432 -3.022 188 HA PRO 26 HA PRO 26 4.228 -2.041 -7.251 189 1HB PRO 26 2HB PRO 26 3.778 0.370 -6.002 190 2HB PRO 26 1HB PRO 26 4.181 -1.120 -5.133 191 1HG PRO 26 2HG PRO 26 5.903 1.249 -5.699 192 2HG PRO 26 1HG PRO 26 5.997 0.087 -4.366 193 1HD PRO 26 2HD PRO 26 7.655 0.109 -6.648 194 2HD PRO 26 1HD PRO 26 7.487 -1.233 -5.498 195 H PHE 27 H PHE 27 3.037 -1.482 -9.039 196 HA PHE 27 HA PHE 27 2.240 -0.286 -10.890 197 1HB PHE 27 2HB PHE 27 3.477 2.032 -9.371 198 2HB PHE 27 1HB PHE 27 2.573 2.224 -10.870 199 HD1 PHE 27 HD1 PHE 27 2.330 0.982 -7.365 200 HD2 PHE 27 HD2 PHE 27 0.197 2.180 -10.896 201 HE1 PHE 27 HE1 PHE 27 0.202 0.938 -6.094 202 HE2 PHE 27 HE2 PHE 27 -1.930 2.135 -9.624 203 HZ PHE 27 HZ PHE 27 -1.929 1.515 -7.224 204 H CYS 28 H CYS 28 3.141 1.137 -12.785 205 HA CYS 28 HA CYS 28 5.897 0.159 -13.349 206 1HB CYS 28 2HB CYS 28 5.343 0.644 -15.720 207 2HB CYS 28 1HB CYS 28 4.191 -0.471 -14.987 208 H SER 29 H SER 29 4.019 3.135 -13.037 209 HA SER 29 HA SER 29 6.561 4.665 -13.128 210 1HB SER 29 2HB SER 29 5.590 6.354 -14.640 211 2HB SER 29 1HB SER 29 5.652 4.777 -15.420 212 HG SER 29 HG SER 29 3.619 5.539 -15.766 213 H LYS 30 H LYS 30 6.271 6.899 -12.268 214 HA LYS 30 HA LYS 30 4.783 6.931 -9.822 215 1HB LYS 30 2HB LYS 30 6.713 8.571 -11.080 216 2HB LYS 30 1HB LYS 30 5.315 9.607 -10.795 217 1HG LYS 30 2HG LYS 30 6.279 7.785 -8.609 218 2HG LYS 30 1HG LYS 30 7.105 9.317 -8.898 219 1HD LYS 30 2HD LYS 30 5.463 10.452 -7.864 220 2HD LYS 30 1HD LYS 30 4.253 9.742 -8.933 221 1HE LYS 30 2HE LYS 30 4.945 7.655 -7.208 222 2HE LYS 30 1HE LYS 30 4.886 9.076 -6.166 223 1HZ LYS 30 1HZ LYS 30 2.687 9.558 -6.923 224 2HZ LYS 30 2HZ LYS 30 2.726 7.937 -6.418 225 3HZ LYS 30 3HZ LYS 30 2.741 8.314 -8.074 226 H ARG 31 H ARG 31 4.060 8.124 -13.076 227 HA ARG 31 HA ARG 31 1.733 9.667 -12.441 228 1HB ARG 31 2HB ARG 31 3.152 9.076 -14.746 229 2HB ARG 31 1HB ARG 31 1.623 8.237 -15.010 230 1HG ARG 31 2HG ARG 31 0.892 10.265 -15.724 231 2HG ARG 31 1HG ARG 31 0.748 10.626 -14.002 232 1HD ARG 31 2HD ARG 31 3.444 10.996 -15.192 233 2HD ARG 31 1HD ARG 31 2.207 12.142 -15.704 234 HE ARG 31 HE ARG 31 3.102 11.754 -12.885 235 1HH1 ARG 31 1HH2 ARG 31 3.717 14.293 -14.350 236 2HH1 ARG 31 2HH2 ARG 31 2.436 15.337 -13.827 237 1HH2 ARG 31 2HH1 ARG 31 0.447 12.743 -12.645 238 2HH2 ARG 31 1HH1 ARG 31 0.581 14.456 -12.858 239 H CYS 32 H CYS 32 2.080 6.243 -13.445 240 HA CYS 32 HA CYS 32 -0.687 5.586 -13.433 241 1HB CYS 32 2HB CYS 32 1.866 4.078 -13.263 242 2HB CYS 32 1HB CYS 32 0.433 3.241 -12.666 243 H GLN 33 H GLN 33 1.736 5.349 -10.809 244 HA GLN 33 HA GLN 33 -0.085 4.378 -8.810 245 1HB GLN 33 2HB GLN 33 2.479 4.418 -8.714 246 2HB GLN 33 1HB GLN 33 2.332 6.120 -8.273 247 1HG GLN 33 2HG GLN 33 0.850 5.457 -6.374 248 2HG GLN 33 1HG GLN 33 1.142 3.766 -6.778 249 1HE2 GLN 33 1HE2 GLN 33 3.472 3.019 -6.652 250 2HE2 GLN 33 2HE2 GLN 33 4.521 3.797 -5.567 251 H LEU 34 H LEU 34 0.778 7.621 -9.934 252 HA LEU 34 HA LEU 34 -0.499 9.126 -7.861 253 1HB LEU 34 2HB LEU 34 1.084 9.838 -9.881 254 2HB LEU 34 1HB LEU 34 -0.453 10.123 -10.693 255 HG LEU 34 HG LEU 34 -1.145 11.553 -8.745 256 1HD1 LEU 34 1HD1 LEU 34 0.183 11.831 -6.913 257 2HD1 LEU 34 2HD1 LEU 34 1.656 11.901 -7.879 258 3HD1 LEU 34 3HD1 LEU 34 0.957 10.340 -7.449 259 1HD2 LEU 34 1HD2 LEU 34 1.307 12.227 -10.374 260 2HD2 LEU 34 2HD2 LEU 34 0.546 13.408 -9.311 261 3HD2 LEU 34 3HD2 LEU 34 -0.361 12.721 -10.656 262 H ILE 35 H ILE 35 -1.701 8.683 -11.216 263 HA ILE 35 HA ILE 35 -4.348 9.497 -10.810 264 HB ILE 35 HB ILE 35 -3.281 7.349 -12.665 265 1HG1 ILE 35 2HG1 ILE 35 -4.171 9.946 -13.730 266 2HG1 ILE 35 1HG1 ILE 35 -2.807 10.076 -12.619 267 1HG2 ILE 35 1HG2 ILE 35 -5.570 6.903 -12.707 268 2HG2 ILE 35 2HG2 ILE 35 -5.444 8.142 -13.956 269 3HG2 ILE 35 3HG2 ILE 35 -6.004 8.573 -12.340 270 1HD1 ILE 35 1HD1 ILE 35 -1.725 9.700 -14.654 271 2HD1 ILE 35 2HD1 ILE 35 -2.980 8.605 -15.233 272 3HD1 ILE 35 3HD1 ILE 35 -1.839 8.065 -14.001 273 H ASP 36 H ASP 36 -2.884 6.396 -9.944 274 HA ASP 36 HA ASP 36 -5.170 4.794 -9.598 275 1HB ASP 36 2HB ASP 36 -2.683 4.189 -9.249 276 2HB ASP 36 1HB ASP 36 -2.901 4.793 -7.607 277 H LEU 37 H LEU 37 -3.794 7.196 -7.328 278 HA LEU 37 HA LEU 37 -5.661 6.706 -5.197 279 1HB LEU 37 2HB LEU 37 -3.826 8.956 -5.941 280 2HB LEU 37 1HB LEU 37 -5.053 9.246 -4.711 281 HG LEU 37 HG LEU 37 -3.528 6.721 -4.422 282 1HD1 LEU 37 1HD1 LEU 37 -1.664 8.076 -5.067 283 2HD1 LEU 37 2HD1 LEU 37 -1.643 8.033 -3.304 284 3HD1 LEU 37 3HD1 LEU 37 -2.260 9.455 -4.143 285 1HD2 LEU 37 1HD2 LEU 37 -3.753 8.754 -2.264 286 2HD2 LEU 37 2HD2 LEU 37 -4.065 7.020 -2.213 287 3HD2 LEU 37 3HD2 LEU 37 -5.277 8.113 -2.880 288 H GLY 38 H GLY 38 -5.602 9.389 -7.592 289 1HA GLY 38 2HA GLY 38 -7.629 9.917 -8.891 290 2HA GLY 38 1HA GLY 38 -8.591 9.366 -7.525 291 H GLU 39 H GLU 39 -5.794 11.384 -6.900 292 HA GLU 39 HA GLU 39 -7.628 13.707 -6.425 293 1HB GLU 39 2HB GLU 39 -5.333 12.673 -4.737 294 2HB GLU 39 1HB GLU 39 -6.005 14.292 -4.540 295 1HG GLU 39 2HG GLU 39 -7.430 13.283 -3.083 296 2HG GLU 39 1HG GLU 39 -8.282 12.773 -4.540 297 H TRP 40 H TRP 40 -6.318 13.365 -8.865 298 HA TRP 40 HA TRP 40 -4.312 15.574 -8.779 299 1HB TRP 40 2HB TRP 40 -3.958 13.241 -10.651 300 2HB TRP 40 1HB TRP 40 -2.756 14.409 -10.094 301 HD1 TRP 40 HD1 TRP 40 -4.235 11.086 -9.291 302 HE1 TRP 40 HE1 TRP 40 -3.287 10.203 -7.070 303 HE3 TRP 40 HE3 TRP 40 -1.852 15.273 -7.608 304 HZ2 TRP 40 HZ2 TRP 40 -1.730 11.130 -4.872 305 HZ3 TRP 40 HZ3 TRP 40 -0.642 15.246 -5.445 306 HH2 TRP 40 HH2 TRP 40 -0.578 13.179 -4.073 307 H ALA 41 H ALA 41 -4.395 16.962 -10.601 308 HA ALA 41 HA ALA 41 -6.725 16.487 -12.415 309 1HB ALA 41 1HB ALA 41 -5.419 19.096 -11.581 310 2HB ALA 41 2HB ALA 41 -6.960 18.474 -10.989 311 3HB ALA 41 3HB ALA 41 -6.792 18.950 -12.679 312 H ALA 42 H ALA 42 -3.850 15.560 -12.773 313 HA ALA 42 HA ALA 42 -3.097 17.116 -15.200 314 1HB ALA 42 1HB ALA 42 -1.122 15.257 -14.927 315 2HB ALA 42 2HB ALA 42 -1.627 15.442 -13.248 316 3HB ALA 42 3HB ALA 42 -1.079 16.846 -14.164 317 H GLU 43 H GLU 43 -3.475 13.736 -14.138 318 HA GLU 43 HA GLU 43 -4.059 11.805 -15.314 319 1HB GLU 43 2HB GLU 43 -5.811 13.990 -16.316 320 2HB GLU 43 1HB GLU 43 -5.786 12.514 -17.272 321 1HG GLU 43 2HG GLU 43 -7.517 12.180 -15.674 322 2HG GLU 43 1HG GLU 43 -6.145 11.257 -15.064 323 H GLU 44 H GLU 44 -1.616 12.222 -16.077 324 HA GLU 44 HA GLU 44 -1.430 12.680 -18.999 325 1HB GLU 44 2HB GLU 44 0.373 12.955 -16.809 326 2HB GLU 44 1HB GLU 44 1.026 11.703 -17.869 327 1HG GLU 44 2HG GLU 44 1.895 13.656 -18.825 328 2HG GLU 44 1HG GLU 44 0.448 13.376 -19.794 329 H LYS 45 H LYS 45 -1.401 11.032 -20.457 330 HA LYS 45 HA LYS 45 -0.611 8.319 -19.598 331 1HB LYS 45 2HB LYS 45 -2.719 7.366 -20.636 332 2HB LYS 45 1HB LYS 45 -2.969 8.243 -19.129 333 1HG LYS 45 2HG LYS 45 -3.177 10.209 -21.118 334 2HG LYS 45 1HG LYS 45 -4.014 8.812 -21.791 335 1HD LYS 45 2HD LYS 45 -5.658 8.840 -20.185 336 2HD LYS 45 1HD LYS 45 -4.577 9.460 -18.938 337 1HE LYS 45 2HE LYS 45 -4.567 11.667 -20.205 338 2HE LYS 45 1HE LYS 45 -5.877 11.014 -21.187 339 1HZ LYS 45 1HZ LYS 45 -7.307 10.937 -19.396 340 2HZ LYS 45 2HZ LYS 45 -6.445 12.369 -19.095 341 3HZ LYS 45 3HZ LYS 45 -6.058 10.946 -18.250 342 H ARG 46 H ARG 46 1.145 8.579 -21.030 343 HA ARG 46 HA ARG 46 2.268 8.281 -23.046 344 1HB ARG 46 2HB ARG 46 -0.478 7.265 -23.749 345 2HB ARG 46 1HB ARG 46 0.824 7.294 -24.939 346 1HG ARG 46 2HG ARG 46 1.820 5.501 -24.009 347 2HG ARG 46 1HG ARG 46 1.748 6.221 -22.401 348 1HD ARG 46 2HD ARG 46 -0.898 5.437 -23.259 349 2HD ARG 46 1HD ARG 46 0.207 4.067 -23.365 350 HE ARG 46 HE ARG 46 0.646 5.317 -20.859 351 1HH1 ARG 46 2HH1 ARG 46 -0.085 2.401 -21.345 352 2HH1 ARG 46 1HH1 ARG 46 -1.595 2.286 -20.506 353 1HH2 ARG 46 1HH2 ARG 46 -2.055 5.709 -20.302 354 2HH2 ARG 46 2HH2 ARG 46 -2.706 4.154 -19.918 355 H ILE 47 H ILE 47 1.154 10.959 -22.502 356 HA ILE 47 HA ILE 47 0.406 11.905 -25.224 357 HB ILE 47 HB ILE 47 0.582 13.327 -22.545 358 1HG1 ILE 47 2HG1 ILE 47 -1.888 13.275 -24.198 359 2HG1 ILE 47 1HG1 ILE 47 -1.404 11.734 -23.485 360 1HG2 ILE 47 1HG2 ILE 47 -0.023 15.351 -23.595 361 2HG2 ILE 47 2HG2 ILE 47 -0.429 14.546 -25.111 362 3HG2 ILE 47 3HG2 ILE 47 1.258 14.700 -24.617 363 1HD1 ILE 47 1HD1 ILE 47 -1.572 12.556 -21.294 364 2HD1 ILE 47 2HD1 ILE 47 -2.942 13.314 -22.099 365 3HD1 ILE 47 3HD1 ILE 47 -1.468 14.237 -21.814 366 HA PRO 48 HA PRO 48 4.827 12.604 -25.679 367 1HB PRO 48 2HB PRO 48 4.711 13.039 -28.391 368 2HB PRO 48 1HB PRO 48 4.730 11.428 -27.653 369 1HG PRO 48 2HG PRO 48 2.448 12.901 -28.882 370 2HG PRO 48 1HG PRO 48 2.705 11.156 -28.731 371 1HD PRO 48 2HD PRO 48 1.003 12.724 -27.106 372 2HD PRO 48 1HD PRO 48 1.535 11.065 -26.763 373 H SER 49 H SER 49 2.535 14.659 -27.562 374 HA SER 49 HA SER 49 4.123 17.038 -26.675 375 1HB SER 49 2HB SER 49 3.577 16.145 -29.304 376 2HB SER 49 1HB SER 49 2.556 17.559 -29.048 377 HG SER 49 HG SER 49 4.582 18.218 -29.758 378 H SER 50 H SER 50 2.941 18.030 -25.114 379 HA SER 50 HA SER 50 -0.022 18.020 -25.261 380 1HB SER 50 2HB SER 50 1.678 17.759 -23.131 381 2HB SER 50 1HB SER 50 1.303 19.479 -23.053 382 HG SER 50 HG SER 50 -0.171 17.565 -22.159 383 H GLY 51 H GLY 51 2.702 20.336 -25.165 384 1HA GLY 51 2HA GLY 51 0.957 22.659 -25.483 385 2HA GLY 51 1HA GLY 51 2.720 22.666 -25.567 386 H ASP 52 H ASP 52 -0.228 22.032 -27.411 387 HA ASP 52 HA ASP 52 1.303 21.759 -29.931 388 1HB ASP 52 2HB ASP 52 -1.293 20.929 -28.987 389 2HB ASP 52 1HB ASP 52 -1.481 21.884 -30.458 390 H LEU 53 H LEU 53 0.771 23.144 -31.791 391 HA LEU 53 HA LEU 53 0.577 25.953 -30.992 392 1HB LEU 53 2HB LEU 53 1.366 24.452 -33.401 393 2HB LEU 53 1HB LEU 53 0.517 25.961 -33.743 394 HG LEU 53 HG LEU 53 2.226 26.718 -31.723 395 1HD1 LEU 53 1HD1 LEU 53 4.233 25.436 -33.388 396 2HD1 LEU 53 2HD1 LEU 53 3.207 24.237 -32.600 397 3HD1 LEU 53 3HD1 LEU 53 4.071 25.432 -31.632 398 1HD2 LEU 53 1HD2 LEU 53 2.704 28.233 -33.320 399 2HD2 LEU 53 2HD2 LEU 53 1.804 27.247 -34.473 400 3HD2 LEU 53 3HD2 LEU 53 3.542 27.014 -34.280 401 H SER 54 H SER 54 -1.327 26.947 -30.718 402 HA SER 54 HA SER 54 -3.858 25.831 -31.525 403 1HB SER 54 2HB SER 54 -2.915 28.133 -30.025 404 2HB SER 54 1HB SER 54 -4.226 28.594 -31.108 405 HG SER 54 HG SER 54 -5.062 27.843 -29.152 406 H GLU 55 H GLU 55 -1.760 28.365 -32.904 407 HA GLU 55 HA GLU 55 -3.647 29.148 -34.951 408 1HB GLU 55 2HB GLU 55 -0.878 29.797 -34.224 409 2HB GLU 55 1HB GLU 55 -1.156 29.792 -35.966 410 1HG GLU 55 2HG GLU 55 -2.271 31.741 -35.839 411 2HG GLU 55 1HG GLU 55 -3.384 31.059 -34.655 412 H SER 56 H SER 56 -3.206 28.850 -37.314 413 HA SER 56 HA SER 56 -3.062 26.064 -37.991 414 1HB SER 56 2HB SER 56 -3.302 28.633 -39.474 415 2HB SER 56 1HB SER 56 -2.656 27.273 -40.387 416 HG SER 56 HG SER 56 -5.066 27.615 -40.234 417 H ASP 57 H ASP 57 -1.199 24.922 -37.809 418 HA ASP 57 HA ASP 57 1.333 26.202 -38.772 419 1HB ASP 57 2HB ASP 57 0.968 25.635 -36.208 420 2HB ASP 57 1HB ASP 57 1.367 23.999 -36.734 421 H ASP 58 H ASP 58 2.571 25.006 -40.181 422 HA ASP 58 HA ASP 58 1.367 22.775 -41.556 423 1HB ASP 58 2HB ASP 58 3.750 24.427 -41.815 424 2HB ASP 58 1HB ASP 58 4.112 22.730 -42.129 425 H TRP 59 H TRP 59 1.259 20.757 -40.776 426 HA TRP 59 HA TRP 59 1.756 18.802 -39.621 427 1HB TRP 59 2HB TRP 59 3.831 18.814 -40.978 428 2HB TRP 59 1HB TRP 59 4.616 19.817 -39.757 429 HD1 TRP 59 HD1 TRP 59 6.158 18.374 -38.361 430 HE1 TRP 59 HE1 TRP 59 6.027 16.047 -37.264 431 HE3 TRP 59 HE3 TRP 59 1.591 16.853 -40.057 432 HZ2 TRP 59 HZ2 TRP 59 4.233 13.839 -37.120 433 HZ3 TRP 59 HZ3 TRP 59 0.696 14.631 -39.424 434 HH2 TRP 59 HH2 TRP 59 2.012 13.122 -37.959 435 H SER 60 H SER 60 0.572 19.689 -37.813 436 HA SER 60 HA SER 60 1.816 21.181 -35.689 437 1HB SER 60 2HB SER 60 -0.758 20.345 -36.274 438 2HB SER 60 1HB SER 60 -0.341 19.342 -34.889 439 HG SER 60 HG SER 60 -1.148 21.784 -34.805 440 H GLU 61 H GLU 61 3.156 20.434 -34.067 441 HA GLU 61 HA GLU 61 4.305 17.825 -34.206 442 1HB GLU 61 2HB GLU 61 4.778 20.193 -32.748 443 2HB GLU 61 1HB GLU 61 4.515 18.940 -31.539 444 1HG GLU 61 2HG GLU 61 6.339 18.473 -33.899 445 2HG GLU 61 1HG GLU 61 6.925 19.253 -32.430 446 H GLU 62 H GLU 62 2.908 16.109 -34.030 447 HA GLU 62 HA GLU 62 1.345 14.635 -33.106 448 1HB GLU 62 2HB GLU 62 3.103 15.563 -30.959 449 2HB GLU 62 1HB GLU 62 1.529 15.046 -30.356 450 1HG GLU 62 2HG GLU 62 2.024 12.880 -30.717 451 2HG GLU 62 1HG GLU 62 2.459 13.211 -32.389 452 HA PRO 63 HA PRO 63 -1.726 18.039 -32.500 453 1HB PRO 63 2HB PRO 63 -3.317 17.263 -34.622 454 2HB PRO 63 1HB PRO 63 -1.962 18.392 -34.772 455 1HG PRO 63 2HG PRO 63 -2.123 15.530 -35.600 456 2HG PRO 63 1HG PRO 63 -1.132 16.837 -36.267 457 1HD PRO 63 2HD PRO 63 -0.222 14.817 -34.519 458 2HD PRO 63 1HD PRO 63 0.635 16.323 -34.896 459 H LYS 64 H LYS 64 -2.110 16.697 -30.538 460 HA LYS 64 HA LYS 64 -4.601 15.090 -30.797 461 1HB LYS 64 2HB LYS 64 -2.250 13.769 -30.687 462 2HB LYS 64 1HB LYS 64 -2.527 14.008 -28.959 463 1HG LYS 64 2HG LYS 64 -4.913 13.126 -30.461 464 2HG LYS 64 1HG LYS 64 -3.600 11.947 -30.422 465 1HD LYS 64 2HD LYS 64 -3.519 12.033 -27.986 466 2HD LYS 64 1HD LYS 64 -4.732 13.317 -27.959 467 1HE LYS 64 2HE LYS 64 -5.745 11.123 -29.512 468 2HE LYS 64 1HE LYS 64 -5.164 10.506 -27.959 469 1HZ LYS 64 1HZ LYS 64 -7.539 11.352 -28.062 470 2HZ LYS 64 2HZ LYS 64 -6.879 12.911 -28.146 471 3HZ LYS 64 3HZ LYS 64 -6.577 11.926 -26.790 472 H GLN 65 HN GLN 65 -5.924 15.199 -29.004 473 HA GLN 65 HA GLN 65 -4.908 16.655 -26.611 474 1HB GLN 65 2HB GLN 65 -7.351 17.303 -28.268 475 2HB GLN 65 1HB GLN 65 -7.246 17.767 -26.570 476 1HG GLN 65 2HG GLN 65 -6.246 19.644 -27.403 477 2HG GLN 65 1HG GLN 65 -4.816 18.618 -27.470 478 1HE2 GLN 65 1HE2 GLN 65 -3.801 18.822 -29.481 479 2HE2 GLN 65 2HE2 GLN 65 -4.604 19.011 -30.962 Start of MODEL 10 1 H MET 1 1H MET 1 11.235 -21.560 -5.778 2 HA MET 1 HA MET 1 13.693 -20.117 -4.948 3 1HB MET 1 2HB MET 1 13.124 -22.862 -5.123 4 2HB MET 1 1HB MET 1 14.001 -22.482 -6.606 5 1HG MET 1 2HG MET 1 15.779 -21.403 -5.281 6 2HG MET 1 1HG MET 1 14.908 -21.791 -3.795 7 1HE MET 1 1HE MET 1 17.343 -22.511 -3.371 8 2HE MET 1 2HE MET 1 18.059 -22.795 -4.958 9 3HE MET 1 3HE MET 1 18.007 -24.101 -3.776 10 H SER 2 H SER 2 14.367 -18.697 -6.461 11 HA SER 2 HA SER 2 14.556 -17.556 -8.498 12 1HB SER 2 2HB SER 2 14.851 -20.401 -9.077 13 2HB SER 2 1HB SER 2 14.176 -19.535 -10.451 14 HG SER 2 HG SER 2 16.649 -19.642 -9.882 15 H GLU 3 H GLU 3 11.949 -17.723 -7.272 16 HA GLU 3 HA GLU 3 10.025 -18.124 -9.469 17 1HB GLU 3 2HB GLU 3 9.929 -18.035 -6.576 18 2HB GLU 3 1HB GLU 3 8.728 -16.941 -7.262 19 1HG GLU 3 2HG GLU 3 7.449 -18.806 -7.473 20 2HG GLU 3 1HG GLU 3 8.458 -19.145 -8.879 21 H THR 4 H THR 4 10.843 -15.429 -7.245 22 HA THR 4 HA THR 4 10.816 -13.117 -7.552 23 HB THR 4 HB THR 4 10.878 -13.902 -10.482 24 HG1 THR 4 HG1 THR 4 12.831 -14.387 -9.903 25 1HG2 THR 4 1HG2 THR 4 10.101 -11.477 -9.642 26 2HG2 THR 4 2HG2 THR 4 11.131 -11.683 -11.057 27 3HG2 THR 4 3HG2 THR 4 11.847 -11.255 -9.506 28 H ILE 5 H ILE 5 8.903 -12.306 -6.846 29 HA ILE 5 HA ILE 5 6.362 -12.981 -8.135 30 HB ILE 5 HB ILE 5 6.793 -10.818 -6.062 31 1HG1 ILE 5 2HG1 ILE 5 5.934 -13.329 -4.924 32 2HG1 ILE 5 1HG1 ILE 5 7.457 -13.569 -5.780 33 1HG2 ILE 5 1HG2 ILE 5 4.481 -12.527 -6.971 34 2HG2 ILE 5 2HG2 ILE 5 4.570 -10.770 -6.854 35 3HG2 ILE 5 3HG2 ILE 5 4.473 -11.748 -5.389 36 1HD1 ILE 5 1HD1 ILE 5 8.523 -12.651 -4.023 37 2HD1 ILE 5 2HD1 ILE 5 6.989 -12.242 -3.256 38 3HD1 ILE 5 3HD1 ILE 5 7.728 -11.120 -4.398 39 H THR 6 H THR 6 4.896 -11.306 -9.010 40 HA THR 6 HA THR 6 6.280 -8.867 -10.020 41 HB THR 6 HB THR 6 5.011 -9.293 -12.234 42 HG1 THR 6 HG1 THR 6 3.833 -11.017 -12.127 43 1HG2 THR 6 1HG2 THR 6 7.558 -10.220 -11.252 44 2HG2 THR 6 2HG2 THR 6 7.135 -9.648 -12.865 45 3HG2 THR 6 3HG2 THR 6 6.935 -11.351 -12.453 46 H VAL 7 H VAL 7 5.059 -7.096 -9.663 47 HA VAL 7 HA VAL 7 2.200 -7.438 -8.919 48 HB VAL 7 HB VAL 7 4.142 -5.125 -8.618 49 1HG1 VAL 7 1HG1 VAL 7 1.183 -5.316 -7.996 50 2HG1 VAL 7 2HG1 VAL 7 1.990 -4.137 -9.029 51 3HG1 VAL 7 3HG1 VAL 7 2.239 -4.096 -7.284 52 1HG2 VAL 7 1HG2 VAL 7 3.181 -5.723 -6.141 53 2HG2 VAL 7 2HG2 VAL 7 4.651 -6.428 -6.810 54 3HG2 VAL 7 3HG2 VAL 7 3.131 -7.316 -6.894 55 H ASN 8 H ASN 8 0.652 -6.975 -10.413 56 HA ASN 8 HA ASN 8 1.426 -5.716 -12.961 57 1HB ASN 8 2HB ASN 8 -0.338 -7.707 -12.377 58 2HB ASN 8 1HB ASN 8 -1.430 -6.324 -12.451 59 1HD2 ASN 8 1HD2 ASN 8 0.792 -8.318 -14.358 60 2HD2 ASN 8 2HD2 ASN 8 0.348 -7.681 -15.868 61 H CYS 9 H CYS 9 0.949 -3.642 -13.542 62 HA CYS 9 HA CYS 9 0.068 -1.738 -11.561 63 1HB CYS 9 2HB CYS 9 1.607 -1.309 -13.569 64 2HB CYS 9 1HB CYS 9 0.144 -1.273 -14.551 65 HA PRO 10 HA PRO 10 -4.273 -2.497 -12.315 66 1HB PRO 10 2HB PRO 10 -5.144 -0.868 -10.279 67 2HB PRO 10 1HB PRO 10 -4.552 -2.520 -10.034 68 1HG PRO 10 2HG PRO 10 -3.198 0.068 -9.432 69 2HG PRO 10 1HG PRO 10 -2.974 -1.519 -8.676 70 1HD PRO 10 2HD PRO 10 -1.262 -0.341 -10.598 71 2HD PRO 10 1HD PRO 10 -1.240 -2.040 -10.079 72 H THR 11 H THR 11 -2.557 0.488 -12.615 73 HA THR 11 HA THR 11 -4.918 2.083 -13.344 74 HB THR 11 HB THR 11 -1.959 2.728 -13.542 75 HG1 THR 11 HG1 THR 11 -3.934 3.419 -11.623 76 1HG2 THR 11 1HG2 THR 11 -2.683 5.045 -13.795 77 2HG2 THR 11 2HG2 THR 11 -4.373 4.558 -13.670 78 3HG2 THR 11 3HG2 THR 11 -3.414 4.063 -15.065 79 H CYS 12 H CYS 12 -1.982 0.922 -15.070 80 HA CYS 12 HA CYS 12 -3.452 1.357 -17.635 81 1HB CYS 12 2HB CYS 12 -1.274 1.402 -18.716 82 2HB CYS 12 1HB CYS 12 -1.262 2.520 -17.353 83 H GLY 13 H GLY 13 -1.834 -1.120 -15.704 84 1HA GLY 13 2HA GLY 13 -2.378 -3.469 -15.905 85 2HA GLY 13 1HA GLY 13 -2.920 -3.175 -17.559 86 H LYS 14 H LYS 14 -0.012 -3.276 -15.519 87 HA LYS 14 HA LYS 14 1.531 -4.299 -17.848 88 1HB LYS 14 2HB LYS 14 1.716 -1.653 -17.029 89 2HB LYS 14 1HB LYS 14 3.066 -2.425 -16.198 90 1HG LYS 14 2HG LYS 14 3.662 -3.484 -18.447 91 2HG LYS 14 1HG LYS 14 2.503 -2.365 -19.167 92 1HD LYS 14 2HD LYS 14 3.923 -0.653 -17.603 93 2HD LYS 14 1HD LYS 14 5.175 -1.827 -18.005 94 1HE LYS 14 2HE LYS 14 5.106 -1.338 -20.265 95 2HE LYS 14 1HE LYS 14 3.411 -0.851 -20.214 96 1HZ LYS 14 1HZ LYS 14 5.790 0.680 -19.366 97 2HZ LYS 14 2HZ LYS 14 4.238 1.082 -18.800 98 3HZ LYS 14 3HZ LYS 14 4.578 1.127 -20.467 99 H THR 15 H THR 15 2.901 -5.949 -17.239 100 HA THR 15 HA THR 15 2.885 -6.820 -14.445 101 HB THR 15 HB THR 15 4.500 -7.944 -16.759 102 HG1 THR 15 HG1 THR 15 2.732 -8.858 -17.407 103 1HG2 THR 15 1HG2 THR 15 3.845 -8.848 -13.975 104 2HG2 THR 15 2HG2 THR 15 5.373 -8.945 -14.848 105 3HG2 THR 15 3HG2 THR 15 4.061 -10.055 -15.242 106 H VAL 16 H VAL 16 4.166 -5.761 -13.026 107 HA VAL 16 HA VAL 16 6.880 -4.864 -13.913 108 HB VAL 16 HB VAL 16 5.266 -3.961 -11.502 109 1HG1 VAL 16 1HG1 VAL 16 6.946 -2.300 -11.198 110 2HG1 VAL 16 2HG1 VAL 16 7.667 -2.632 -12.771 111 3HG1 VAL 16 3HG1 VAL 16 7.827 -3.804 -11.464 112 1HG2 VAL 16 1HG2 VAL 16 4.699 -3.381 -14.129 113 2HG2 VAL 16 2HG2 VAL 16 5.797 -2.068 -13.706 114 3HG2 VAL 16 3HG2 VAL 16 4.323 -2.320 -12.771 115 H VAL 17 H VAL 17 8.666 -5.760 -12.894 116 HA VAL 17 HA VAL 17 8.360 -8.167 -11.374 117 HB VAL 17 HB VAL 17 10.378 -7.530 -12.760 118 1HG1 VAL 17 1HG1 VAL 17 10.508 -5.203 -11.700 119 2HG1 VAL 17 2HG1 VAL 17 12.035 -6.067 -11.868 120 3HG1 VAL 17 3HG1 VAL 17 11.233 -5.993 -10.300 121 1HG2 VAL 17 1HG2 VAL 17 11.163 -8.213 -9.926 122 2HG2 VAL 17 2HG2 VAL 17 11.852 -8.821 -11.431 123 3HG2 VAL 17 3HG2 VAL 17 10.247 -9.344 -10.922 124 H TRP 18 H TRP 18 8.364 -8.555 -9.190 125 HA TRP 18 HA TRP 18 8.338 -6.165 -7.389 126 1HB TRP 18 2HB TRP 18 6.201 -7.419 -7.499 127 2HB TRP 18 1HB TRP 18 7.042 -8.887 -7.009 128 HD1 TRP 18 HD1 TRP 18 7.270 -9.309 -4.504 129 HE1 TRP 18 HE1 TRP 18 6.857 -7.930 -2.366 130 HE3 TRP 18 HE3 TRP 18 6.288 -4.746 -6.574 131 HZ2 TRP 18 HZ2 TRP 18 6.197 -5.246 -1.631 132 HZ3 TRP 18 HZ3 TRP 18 5.771 -2.798 -5.132 133 HH2 TRP 18 HH2 TRP 18 5.723 -3.042 -2.666 134 H GLY 19 H GLY 19 9.395 -6.386 -5.312 135 1HA GLY 19 2HA GLY 19 10.682 -7.909 -3.772 136 2HA GLY 19 1HA GLY 19 11.448 -8.567 -5.219 137 H GLU 20 H GLU 20 13.325 -7.627 -5.891 138 HA GLU 20 HA GLU 20 13.897 -4.804 -5.243 139 1HB GLU 20 2HB GLU 20 14.742 -6.703 -3.448 140 2HB GLU 20 1HB GLU 20 16.139 -6.589 -4.517 141 1HG GLU 20 2HG GLU 20 16.638 -4.867 -3.055 142 2HG GLU 20 1HG GLU 20 15.689 -3.977 -4.247 143 H ILE 21 H ILE 21 13.432 -5.680 -7.743 144 HA ILE 21 HA ILE 21 16.136 -6.023 -8.979 145 HB ILE 21 HB ILE 21 13.403 -6.862 -9.995 146 1HG1 ILE 21 2HG1 ILE 21 15.186 -9.016 -10.015 147 2HG1 ILE 21 1HG1 ILE 21 15.543 -8.179 -8.504 148 1HG2 ILE 21 1HG2 ILE 21 16.008 -6.467 -11.356 149 2HG2 ILE 21 2HG2 ILE 21 14.376 -6.463 -12.023 150 3HG2 ILE 21 3HG2 ILE 21 15.192 -7.992 -11.702 151 1HD1 ILE 21 1HD1 ILE 21 13.247 -9.809 -9.180 152 2HD1 ILE 21 2HD1 ILE 21 12.734 -8.191 -8.702 153 3HD1 ILE 21 3HD1 ILE 21 13.724 -9.161 -7.612 154 H SER 22 H SER 22 12.930 -4.561 -9.555 155 HA SER 22 HA SER 22 14.166 -2.565 -11.371 156 1HB SER 22 2HB SER 22 11.834 -1.929 -11.881 157 2HB SER 22 1HB SER 22 12.070 -3.661 -12.084 158 HG SER 22 HG SER 22 10.200 -2.677 -10.739 159 HA PRO 23 HA PRO 23 14.066 0.696 -8.412 160 1HB PRO 23 2HB PRO 23 13.454 2.837 -10.029 161 2HB PRO 23 1HB PRO 23 15.043 2.054 -9.996 162 1HG PRO 23 2HG PRO 23 12.894 1.856 -12.058 163 2HG PRO 23 1HG PRO 23 14.646 1.669 -12.242 164 1HD PRO 23 2HD PRO 23 12.773 -0.438 -12.123 165 2HD PRO 23 1HD PRO 23 14.532 -0.601 -11.930 166 H PHE 24 H PHE 24 11.239 0.330 -10.512 167 HA PHE 24 HA PHE 24 9.539 1.556 -8.380 168 1HB PHE 24 2HB PHE 24 9.726 2.376 -10.997 169 2HB PHE 24 1HB PHE 24 8.367 1.257 -11.079 170 HD1 PHE 24 HD1 PHE 24 9.674 4.014 -8.884 171 HD2 PHE 24 HD2 PHE 24 6.240 2.078 -10.590 172 HE1 PHE 24 HE1 PHE 24 8.201 5.728 -7.865 173 HE2 PHE 24 HE2 PHE 24 4.767 3.792 -9.570 174 HZ PHE 24 HZ PHE 24 5.747 5.617 -8.207 175 H ARG 25 H ARG 25 9.790 -0.717 -7.482 176 HA ARG 25 HA ARG 25 8.807 -3.052 -8.715 177 1HB ARG 25 2HB ARG 25 9.212 -2.152 -5.921 178 2HB ARG 25 1HB ARG 25 8.075 -3.481 -6.134 179 1HG ARG 25 2HG ARG 25 10.008 -4.718 -6.028 180 2HG ARG 25 1HG ARG 25 10.035 -4.356 -7.754 181 1HD ARG 25 2HD ARG 25 12.206 -3.782 -6.984 182 2HD ARG 25 1HD ARG 25 11.356 -2.243 -7.120 183 HE ARG 25 HE ARG 25 11.874 -3.663 -4.543 184 1HH1 ARG 25 1HH2 ARG 25 13.340 -1.143 -5.391 185 2HH1 ARG 25 2HH2 ARG 25 12.469 0.071 -4.515 186 1HH2 ARG 25 2HH1 ARG 25 9.758 -1.995 -3.844 187 2HH2 ARG 25 1HH1 ARG 25 10.433 -0.414 -3.637 188 HA PRO 26 HA PRO 26 4.404 -2.044 -7.135 189 1HB PRO 26 2HB PRO 26 3.986 0.395 -5.931 190 2HB PRO 26 1HB PRO 26 4.433 -1.069 -5.040 191 1HG PRO 26 2HG PRO 26 6.116 1.294 -5.732 192 2HG PRO 26 1HG PRO 26 6.268 0.166 -4.374 193 1HD PRO 26 2HD PRO 26 7.837 0.140 -6.722 194 2HD PRO 26 1HD PRO 26 7.726 -1.172 -5.530 195 H PHE 27 H PHE 27 3.153 -1.544 -8.902 196 HA PHE 27 HA PHE 27 2.278 -0.403 -10.751 197 1HB PHE 27 2HB PHE 27 3.457 1.919 -9.212 198 2HB PHE 27 1HB PHE 27 2.691 2.147 -10.781 199 HD1 PHE 27 HD1 PHE 27 0.342 2.268 -10.973 200 HD2 PHE 27 HD2 PHE 27 2.107 0.734 -7.370 201 HE1 PHE 27 HE1 PHE 27 -1.887 2.245 -9.890 202 HE2 PHE 27 HE2 PHE 27 -0.124 0.709 -6.289 203 HZ PHE 27 HZ PHE 27 -2.120 1.464 -7.549 204 H CYS 28 H CYS 28 3.080 0.995 -12.707 205 HA CYS 28 HA CYS 28 5.820 0.043 -13.362 206 1HB CYS 28 2HB CYS 28 5.199 0.426 -15.699 207 2HB CYS 28 1HB CYS 28 3.970 -0.557 -14.906 208 H SER 29 H SER 29 3.937 3.025 -13.044 209 HA SER 29 HA SER 29 6.481 4.555 -13.204 210 1HB SER 29 2HB SER 29 4.375 4.601 -15.199 211 2HB SER 29 1HB SER 29 4.571 6.191 -14.470 212 HG SER 29 HG SER 29 5.977 5.705 -16.297 213 H LYS 30 H LYS 30 6.193 6.809 -12.361 214 HA LYS 30 HA LYS 30 4.792 6.821 -9.851 215 1HB LYS 30 2HB LYS 30 6.732 8.424 -11.130 216 2HB LYS 30 1HB LYS 30 5.368 9.496 -10.809 217 1HG LYS 30 2HG LYS 30 5.842 7.771 -8.532 218 2HG LYS 30 1HG LYS 30 7.318 8.634 -8.965 219 1HD LYS 30 2HD LYS 30 6.493 10.589 -8.200 220 2HD LYS 30 1HD LYS 30 4.996 10.382 -9.109 221 1HE LYS 30 2HE LYS 30 4.252 8.752 -7.313 222 2HE LYS 30 1HE LYS 30 5.657 9.260 -6.375 223 1HZ LYS 30 1HZ LYS 30 4.857 11.516 -6.405 224 2HZ LYS 30 2HZ LYS 30 3.642 10.498 -5.797 225 3HZ LYS 30 3HZ LYS 30 3.542 11.086 -7.388 226 H ARG 31 H ARG 31 4.067 8.275 -13.022 227 HA ARG 31 HA ARG 31 1.750 9.755 -12.249 228 1HB ARG 31 2HB ARG 31 2.913 10.019 -14.435 229 2HB ARG 31 1HB ARG 31 2.322 8.430 -14.921 230 1HG ARG 31 2HG ARG 31 0.032 9.767 -14.034 231 2HG ARG 31 1HG ARG 31 0.934 10.996 -14.919 232 1HD ARG 31 2HD ARG 31 -0.481 9.862 -16.510 233 2HD ARG 31 1HD ARG 31 1.175 9.338 -16.811 234 HE ARG 31 HE ARG 31 -0.017 7.501 -14.991 235 1HH1 ARG 31 1HH2 ARG 31 1.382 6.702 -17.520 236 2HH1 ARG 31 2HH2 ARG 31 0.089 6.024 -18.452 237 1HH2 ARG 31 2HH1 ARG 31 -2.412 7.447 -16.493 238 2HH2 ARG 31 1HH1 ARG 31 -2.073 6.448 -17.867 239 H CYS 32 H CYS 32 2.108 6.379 -13.379 240 HA CYS 32 HA CYS 32 -0.671 5.740 -13.487 241 1HB CYS 32 2HB CYS 32 1.871 4.222 -13.360 242 2HB CYS 32 1HB CYS 32 0.451 3.362 -12.766 243 H GLN 33 H GLN 33 1.695 5.314 -10.830 244 HA GLN 33 HA GLN 33 -0.181 4.305 -8.909 245 1HB GLN 33 2HB GLN 33 2.353 4.234 -8.744 246 2HB GLN 33 1HB GLN 33 2.298 5.943 -8.311 247 1HG GLN 33 2HG GLN 33 0.775 5.368 -6.413 248 2HG GLN 33 1HG GLN 33 0.980 3.662 -6.811 249 1HE2 GLN 33 1HE2 GLN 33 3.145 2.707 -6.480 250 2HE2 GLN 33 2HE2 GLN 33 4.284 3.472 -5.480 251 H LEU 34 H LEU 34 0.717 7.574 -9.903 252 HA LEU 34 HA LEU 34 -0.527 9.005 -7.752 253 1HB LEU 34 2HB LEU 34 1.065 9.782 -9.745 254 2HB LEU 34 1HB LEU 34 -0.471 10.143 -10.527 255 HG LEU 34 HG LEU 34 -1.117 11.488 -8.503 256 1HD1 LEU 34 1HD1 LEU 34 1.658 10.635 -7.705 257 2HD1 LEU 34 2HD1 LEU 34 0.188 10.671 -6.734 258 3HD1 LEU 34 3HD1 LEU 34 1.015 12.175 -7.137 259 1HD2 LEU 34 1HD2 LEU 34 0.201 12.298 -10.652 260 2HD2 LEU 34 2HD2 LEU 34 1.505 12.558 -9.494 261 3HD2 LEU 34 3HD2 LEU 34 -0.035 13.391 -9.288 262 H ILE 35 H ILE 35 -1.738 8.751 -11.124 263 HA ILE 35 HA ILE 35 -4.371 9.592 -10.642 264 HB ILE 35 HB ILE 35 -3.379 7.549 -12.658 265 1HG1 ILE 35 2HG1 ILE 35 -4.036 10.468 -13.102 266 2HG1 ILE 35 1HG1 ILE 35 -2.425 9.950 -12.604 267 1HG2 ILE 35 1HG2 ILE 35 -6.003 7.954 -12.026 268 2HG2 ILE 35 2HG2 ILE 35 -5.443 7.524 -13.640 269 3HG2 ILE 35 3HG2 ILE 35 -5.764 9.210 -13.239 270 1HD1 ILE 35 1HD1 ILE 35 -2.631 10.162 -15.079 271 2HD1 ILE 35 2HD1 ILE 35 -3.882 8.920 -15.055 272 3HD1 ILE 35 3HD1 ILE 35 -2.235 8.519 -14.575 273 H ASP 36 H ASP 36 -2.941 6.417 -10.019 274 HA ASP 36 HA ASP 36 -5.261 4.840 -9.740 275 1HB ASP 36 2HB ASP 36 -2.767 4.168 -9.508 276 2HB ASP 36 1HB ASP 36 -2.949 4.624 -7.814 277 H LEU 37 H LEU 37 -3.768 7.052 -7.360 278 HA LEU 37 HA LEU 37 -5.568 6.436 -5.202 279 1HB LEU 37 2HB LEU 37 -3.659 8.639 -5.841 280 2HB LEU 37 1HB LEU 37 -4.886 8.968 -4.620 281 HG LEU 37 HG LEU 37 -3.457 6.366 -4.405 282 1HD1 LEU 37 1HD1 LEU 37 -2.149 8.964 -3.546 283 2HD1 LEU 37 2HD1 LEU 37 -1.683 8.069 -4.992 284 3HD1 LEU 37 3HD1 LEU 37 -1.485 7.336 -3.400 285 1HD2 LEU 37 1HD2 LEU 37 -4.710 8.436 -2.636 286 2HD2 LEU 37 2HD2 LEU 37 -3.458 7.403 -1.947 287 3HD2 LEU 37 3HD2 LEU 37 -4.916 6.684 -2.629 288 H GLY 38 H GLY 38 -5.528 9.290 -7.389 289 1HA GLY 38 2HA GLY 38 -7.574 9.970 -8.578 290 2HA GLY 38 1HA GLY 38 -8.514 9.310 -7.245 291 H GLU 39 H GLU 39 -5.665 11.257 -6.569 292 HA GLU 39 HA GLU 39 -7.454 13.543 -5.821 293 1HB GLU 39 2HB GLU 39 -5.162 12.300 -4.280 294 2HB GLU 39 1HB GLU 39 -5.756 13.923 -3.931 295 1HG GLU 39 2HG GLU 39 -7.231 12.887 -2.552 296 2HG GLU 39 1HG GLU 39 -8.095 12.467 -4.030 297 H TRP 40 H TRP 40 -6.171 13.371 -8.307 298 HA TRP 40 HA TRP 40 -4.162 15.562 -8.090 299 1HB TRP 40 2HB TRP 40 -3.795 13.385 -10.126 300 2HB TRP 40 1HB TRP 40 -2.596 14.489 -9.450 301 HD1 TRP 40 HD1 TRP 40 -4.171 11.138 -8.934 302 HE1 TRP 40 HE1 TRP 40 -3.206 10.031 -6.822 303 HE3 TRP 40 HE3 TRP 40 -1.624 15.083 -6.948 304 HZ2 TRP 40 HZ2 TRP 40 -1.574 10.711 -4.589 305 HZ3 TRP 40 HZ3 TRP 40 -0.368 14.827 -4.826 306 HH2 TRP 40 HH2 TRP 40 -0.340 12.648 -3.641 307 H ALA 41 H ALA 41 -6.201 13.676 -10.327 308 HA ALA 41 HA ALA 41 -7.476 14.319 -12.174 309 1HB ALA 41 1HB ALA 41 -8.800 15.725 -10.863 310 2HB ALA 41 2HB ALA 41 -8.184 16.850 -12.072 311 3HB ALA 41 3HB ALA 41 -7.455 16.794 -10.469 312 H ALA 42 H ALA 42 -5.034 13.991 -13.034 313 HA ALA 42 HA ALA 42 -3.779 16.399 -14.111 314 1HB ALA 42 1HB ALA 42 -2.579 14.212 -13.533 315 2HB ALA 42 2HB ALA 42 -2.180 14.914 -15.100 316 3HB ALA 42 3HB ALA 42 -3.289 13.548 -15.004 317 H GLU 43 H GLU 43 -5.248 13.554 -15.685 318 HA GLU 43 HA GLU 43 -5.887 15.203 -18.074 319 1HB GLU 43 2HB GLU 43 -4.884 12.719 -17.988 320 2HB GLU 43 1HB GLU 43 -6.592 12.295 -17.883 321 1HG GLU 43 2HG GLU 43 -5.739 14.277 -19.965 322 2HG GLU 43 1HG GLU 43 -5.404 12.569 -20.243 323 H GLU 44 H GLU 44 -7.822 16.262 -17.918 324 HA GLU 44 HA GLU 44 -10.066 14.873 -16.496 325 1HB GLU 44 2HB GLU 44 -8.875 17.393 -16.002 326 2HB GLU 44 1HB GLU 44 -10.457 17.723 -16.704 327 1HG GLU 44 2HG GLU 44 -10.312 15.612 -14.596 328 2HG GLU 44 1HG GLU 44 -10.136 17.288 -14.079 329 H LYS 45 H LYS 45 -12.050 14.777 -17.483 330 HA LYS 45 HA LYS 45 -12.296 15.044 -20.329 331 1HB LYS 45 2HB LYS 45 -13.961 14.232 -18.082 332 2HB LYS 45 1HB LYS 45 -14.888 15.207 -19.215 333 1HG LYS 45 2HG LYS 45 -13.169 12.887 -20.107 334 2HG LYS 45 1HG LYS 45 -14.861 12.692 -19.651 335 1HD LYS 45 2HD LYS 45 -15.402 13.257 -21.759 336 2HD LYS 45 1HD LYS 45 -14.846 14.891 -21.389 337 1HE LYS 45 2HE LYS 45 -12.525 13.332 -21.864 338 2HE LYS 45 1HE LYS 45 -13.665 12.951 -23.155 339 1HZ LYS 45 1HZ LYS 45 -12.892 15.700 -22.330 340 2HZ LYS 45 2HZ LYS 45 -13.912 15.285 -23.623 341 3HZ LYS 45 3HZ LYS 45 -12.264 14.875 -23.672 342 H ARG 46 H ARG 46 -14.081 16.866 -17.830 343 HA ARG 46 HA ARG 46 -14.269 19.204 -19.665 344 1HB ARG 46 2HB ARG 46 -15.857 20.017 -17.747 345 2HB ARG 46 1HB ARG 46 -16.433 18.764 -18.844 346 1HG ARG 46 2HG ARG 46 -16.466 17.180 -17.208 347 2HG ARG 46 1HG ARG 46 -14.963 17.756 -16.487 348 1HD ARG 46 2HD ARG 46 -17.049 19.724 -16.148 349 2HD ARG 46 1HD ARG 46 -17.572 18.164 -15.515 350 HE ARG 46 HE ARG 46 -15.511 18.194 -14.098 351 1HH1 ARG 46 2HH1 ARG 46 -13.939 20.299 -15.408 352 2HH1 ARG 46 1HH1 ARG 46 -14.247 21.690 -14.428 353 1HH2 ARG 46 1HH2 ARG 46 -17.076 20.322 -12.915 354 2HH2 ARG 46 2HH2 ARG 46 -16.033 21.707 -13.003 355 H ILE 47 H ILE 47 -13.255 21.151 -19.159 356 HA ILE 47 HA ILE 47 -11.747 21.217 -16.574 357 HB ILE 47 HB ILE 47 -10.147 22.769 -17.840 358 1HG1 ILE 47 2HG1 ILE 47 -10.901 21.403 -20.358 359 2HG1 ILE 47 1HG1 ILE 47 -12.015 22.663 -19.821 360 1HG2 ILE 47 1HG2 ILE 47 -9.597 20.350 -19.232 361 2HG2 ILE 47 2HG2 ILE 47 -10.340 19.908 -17.696 362 3HG2 ILE 47 3HG2 ILE 47 -8.893 20.914 -17.716 363 1HD1 ILE 47 1HD1 ILE 47 -9.996 23.360 -21.311 364 2HD1 ILE 47 2HD1 ILE 47 -9.045 23.159 -19.840 365 3HD1 ILE 47 3HD1 ILE 47 -10.361 24.331 -19.886 366 HA PRO 48 HA PRO 48 -13.855 24.949 -15.648 367 1HB PRO 48 2HB PRO 48 -12.064 25.966 -13.825 368 2HB PRO 48 1HB PRO 48 -13.169 24.625 -13.472 369 1HG PRO 48 2HG PRO 48 -10.232 24.549 -14.005 370 2HG PRO 48 1HG PRO 48 -11.226 23.443 -13.043 371 1HD PRO 48 2HD PRO 48 -10.286 22.954 -15.657 372 2HD PRO 48 1HD PRO 48 -11.575 22.050 -14.831 373 H SER 49 H SER 49 -13.943 26.758 -16.922 374 HA SER 49 HA SER 49 -11.603 27.767 -18.331 375 1HB SER 49 2HB SER 49 -14.167 27.818 -19.002 376 2HB SER 49 1HB SER 49 -14.154 29.334 -18.107 377 HG SER 49 HG SER 49 -13.650 29.678 -20.291 378 H SER 50 H SER 50 -10.266 28.257 -16.438 379 HA SER 50 HA SER 50 -10.970 30.892 -15.211 380 1HB SER 50 2HB SER 50 -10.456 28.348 -13.911 381 2HB SER 50 1HB SER 50 -9.250 29.535 -13.424 382 HG SER 50 HG SER 50 -10.929 29.882 -12.083 383 H GLY 51 H GLY 51 -9.525 30.757 -17.554 384 1HA GLY 51 2HA GLY 51 -7.575 32.079 -18.155 385 2HA GLY 51 1HA GLY 51 -6.816 31.590 -16.641 386 H ASP 52 H ASP 52 -8.419 29.050 -18.341 387 HA ASP 52 HA ASP 52 -5.866 28.179 -19.614 388 1HB ASP 52 2HB ASP 52 -6.387 25.837 -18.813 389 2HB ASP 52 1HB ASP 52 -5.954 26.959 -17.526 390 H LEU 53 H LEU 53 -8.282 29.385 -20.750 391 HA LEU 53 HA LEU 53 -9.507 29.122 -22.724 392 1HB LEU 53 2HB LEU 53 -7.496 27.263 -23.031 393 2HB LEU 53 1HB LEU 53 -8.948 26.270 -23.169 394 HG LEU 53 HG LEU 53 -9.462 28.644 -24.630 395 1HD1 LEU 53 1HD1 LEU 53 -7.637 28.867 -26.138 396 2HD1 LEU 53 2HD1 LEU 53 -6.883 27.380 -25.567 397 3HD1 LEU 53 3HD1 LEU 53 -6.890 28.811 -24.541 398 1HD2 LEU 53 1HD2 LEU 53 -10.470 26.750 -25.480 399 2HD2 LEU 53 2HD2 LEU 53 -9.066 25.731 -25.172 400 3HD2 LEU 53 3HD2 LEU 53 -9.074 26.822 -26.555 401 H SER 54 H SER 54 -11.573 28.317 -23.318 402 HA SER 54 HA SER 54 -13.019 26.978 -21.100 403 1HB SER 54 2HB SER 54 -13.697 29.162 -22.508 404 2HB SER 54 1HB SER 54 -14.436 27.943 -23.540 405 HG SER 54 HG SER 54 -15.533 28.919 -21.484 406 H GLU 55 H GLU 55 -13.701 24.894 -21.251 407 HA GLU 55 HA GLU 55 -13.008 23.262 -23.548 408 1HB GLU 55 2HB GLU 55 -14.284 21.464 -22.298 409 2HB GLU 55 1HB GLU 55 -12.960 22.195 -21.396 410 1HG GLU 55 2HG GLU 55 -14.446 22.623 -19.751 411 2HG GLU 55 1HG GLU 55 -15.175 23.818 -20.819 412 H SER 56 H SER 56 -14.412 22.253 -25.048 413 HA SER 56 HA SER 56 -17.050 23.611 -25.377 414 1HB SER 56 2HB SER 56 -14.948 23.147 -27.187 415 2HB SER 56 1HB SER 56 -16.209 22.011 -27.653 416 HG SER 56 HG SER 56 -16.114 24.541 -28.214 417 H ASP 57 H ASP 57 -17.969 22.103 -23.737 418 HA ASP 57 HA ASP 57 -18.106 19.246 -24.339 419 1HB ASP 57 2HB ASP 57 -18.808 20.957 -22.136 420 2HB ASP 57 1HB ASP 57 -20.215 19.994 -22.577 421 H ASP 58 H ASP 58 -19.387 18.437 -25.911 422 HA ASP 58 HA ASP 58 -21.154 18.214 -27.430 423 1HB ASP 58 2HB ASP 58 -22.741 19.761 -25.352 424 2HB ASP 58 1HB ASP 58 -23.384 18.680 -26.585 425 H TRP 59 H TRP 59 -19.386 20.406 -27.828 426 HA TRP 59 HA TRP 59 -21.203 22.295 -29.250 427 1HB TRP 59 2HB TRP 59 -19.602 22.924 -26.950 428 2HB TRP 59 1HB TRP 59 -18.923 23.753 -28.348 429 HD1 TRP 59 HD1 TRP 59 -21.329 24.614 -29.983 430 HE1 TRP 59 HE1 TRP 59 -23.072 26.285 -29.085 431 HE3 TRP 59 HE3 TRP 59 -20.565 24.080 -24.962 432 HZ2 TRP 59 HZ2 TRP 59 -24.035 27.252 -26.576 433 HZ3 TRP 59 HZ3 TRP 59 -21.915 25.385 -23.344 434 HH2 TRP 59 HH2 TRP 59 -23.646 26.970 -24.143 435 H SER 60 H SER 60 -20.516 22.636 -31.320 436 HA SER 60 HA SER 60 -17.661 22.050 -32.006 437 1HB SER 60 2HB SER 60 -19.961 21.322 -33.828 438 2HB SER 60 1HB SER 60 -18.284 20.793 -33.926 439 HG SER 60 HG SER 60 -19.989 19.337 -32.962 440 H GLU 61 H GLU 61 -20.712 23.411 -33.280 441 HA GLU 61 HA GLU 61 -19.323 25.903 -34.046 442 1HB GLU 61 2HB GLU 61 -19.644 23.916 -35.970 443 2HB GLU 61 1HB GLU 61 -21.046 24.955 -36.225 444 1HG GLU 61 2HG GLU 61 -18.634 26.522 -35.761 445 2HG GLU 61 1HG GLU 61 -18.444 25.436 -37.139 446 H GLU 62 H GLU 62 -22.404 24.150 -34.553 447 HA GLU 62 HA GLU 62 -23.841 26.233 -33.029 448 1HB GLU 62 2HB GLU 62 -25.592 26.352 -34.868 449 2HB GLU 62 1HB GLU 62 -24.066 27.153 -35.228 450 1HG GLU 62 2HG GLU 62 -23.508 24.696 -36.213 451 2HG GLU 62 1HG GLU 62 -25.256 24.707 -36.440 452 HA PRO 63 HA PRO 63 -25.496 22.220 -31.863 453 1HB PRO 63 2HB PRO 63 -26.476 23.092 -29.454 454 2HB PRO 63 1HB PRO 63 -24.778 22.665 -29.722 455 1HG PRO 63 2HG PRO 63 -26.011 25.366 -29.446 456 2HG PRO 63 1HG PRO 63 -24.363 24.839 -29.072 457 1HD PRO 63 2HD PRO 63 -25.166 26.262 -31.384 458 2HD PRO 63 1HD PRO 63 -23.603 25.449 -31.148 459 H LYS 64 H LYS 64 -27.231 25.325 -31.864 460 HA LYS 64 HA LYS 64 -29.819 23.846 -32.064 461 1HB LYS 64 2HB LYS 64 -29.001 26.401 -30.828 462 2HB LYS 64 1HB LYS 64 -30.529 26.458 -31.705 463 1HG LYS 64 2HG LYS 64 -30.942 24.166 -30.402 464 2HG LYS 64 1HG LYS 64 -29.799 24.887 -29.270 465 1HD LYS 64 2HD LYS 64 -31.367 26.299 -28.488 466 2HD LYS 64 1HD LYS 64 -31.753 26.850 -30.117 467 1HE LYS 64 2HE LYS 64 -32.890 24.373 -30.146 468 2HE LYS 64 1HE LYS 64 -33.091 24.803 -28.448 469 1HZ LYS 64 1HZ LYS 64 -34.645 25.639 -30.557 470 2HZ LYS 64 2HZ LYS 64 -33.719 27.002 -30.145 471 3HZ LYS 64 3HZ LYS 64 -34.681 26.237 -28.972 472 H GLN 65 HN GLN 65 -28.332 26.861 -33.374 473 HA GLN 65 HA GLN 65 -29.887 26.374 -35.884 474 1HB GLN 65 2HB GLN 65 -29.559 28.708 -34.224 475 2HB GLN 65 1HB GLN 65 -28.917 29.042 -35.831 476 1HG GLN 65 2HG GLN 65 -31.413 27.565 -35.999 477 2HG GLN 65 1HG GLN 65 -31.617 29.057 -35.075 478 1HE2 GLN 65 1HE2 GLN 65 -29.907 28.000 -38.092 479 2HE2 GLN 65 2HE2 GLN 65 -30.321 29.387 -38.978 Start of MODEL 11 1 H MET 1 1H MET 1 6.569 -15.225 -7.617 2 HA MET 1 HA MET 1 5.072 -16.939 -8.083 3 1HB MET 1 2HB MET 1 4.820 -15.503 -10.573 4 2HB MET 1 1HB MET 1 5.153 -17.202 -10.917 5 1HG MET 1 2HG MET 1 3.332 -17.685 -9.119 6 2HG MET 1 1HG MET 1 2.853 -16.011 -9.366 7 1HE MET 1 1HE MET 1 1.770 -19.645 -11.137 8 2HE MET 1 2HE MET 1 3.299 -19.351 -10.314 9 3HE MET 1 3HE MET 1 3.266 -19.464 -12.074 10 H SER 2 H SER 2 6.596 -18.381 -7.366 11 HA SER 2 HA SER 2 8.179 -20.109 -7.524 12 1HB SER 2 2HB SER 2 7.186 -20.041 -10.074 13 2HB SER 2 1HB SER 2 8.879 -19.652 -10.369 14 HG SER 2 HG SER 2 8.300 -21.950 -10.296 15 H GLU 3 H GLU 3 9.366 -17.759 -9.958 16 HA GLU 3 HA GLU 3 11.729 -17.320 -8.180 17 1HB GLU 3 2HB GLU 3 11.535 -18.022 -11.036 18 2HB GLU 3 1HB GLU 3 12.604 -16.658 -10.708 19 1HG GLU 3 2HG GLU 3 14.009 -18.559 -10.505 20 2HG GLU 3 1HG GLU 3 13.616 -18.126 -8.840 21 H THR 4 H THR 4 11.057 -15.426 -7.223 22 HA THR 4 HA THR 4 10.814 -13.114 -7.013 23 HB THR 4 HB THR 4 11.307 -13.141 -10.002 24 HG1 THR 4 HG1 THR 4 13.214 -13.607 -9.252 25 1HG2 THR 4 1HG2 THR 4 11.640 -10.779 -8.170 26 2HG2 THR 4 2HG2 THR 4 10.089 -11.113 -8.940 27 3HG2 THR 4 3HG2 THR 4 11.517 -10.801 -9.928 28 H ILE 5 H ILE 5 8.915 -12.015 -6.751 29 HA ILE 5 HA ILE 5 6.541 -12.964 -8.252 30 HB ILE 5 HB ILE 5 5.802 -10.844 -6.489 31 1HG1 ILE 5 2HG1 ILE 5 7.374 -12.981 -5.017 32 2HG1 ILE 5 1HG1 ILE 5 8.048 -11.392 -5.381 33 1HG2 ILE 5 1HG2 ILE 5 5.251 -13.499 -5.464 34 2HG2 ILE 5 2HG2 ILE 5 5.003 -13.441 -7.207 35 3HG2 ILE 5 3HG2 ILE 5 4.139 -12.322 -6.159 36 1HD1 ILE 5 1HD1 ILE 5 5.578 -10.756 -4.318 37 2HD1 ILE 5 2HD1 ILE 5 7.099 -10.720 -3.428 38 3HD1 ILE 5 3HD1 ILE 5 6.062 -12.146 -3.348 39 H THR 6 H THR 6 5.029 -11.396 -9.211 40 HA THR 6 HA THR 6 6.334 -8.840 -10.042 41 HB THR 6 HB THR 6 5.207 -9.226 -12.317 42 HG1 THR 6 HG1 THR 6 4.120 -10.992 -12.494 43 1HG2 THR 6 1HG2 THR 6 7.509 -9.383 -12.442 44 2HG2 THR 6 2HG2 THR 6 7.069 -11.036 -12.873 45 3HG2 THR 6 3HG2 THR 6 7.594 -10.662 -11.232 46 H VAL 7 H VAL 7 5.051 -7.156 -9.539 47 HA VAL 7 HA VAL 7 2.189 -7.627 -8.951 48 HB VAL 7 HB VAL 7 3.579 -6.307 -7.359 49 1HG1 VAL 7 1HG1 VAL 7 3.766 -4.377 -9.693 50 2HG1 VAL 7 2HG1 VAL 7 5.105 -5.220 -8.914 51 3HG1 VAL 7 3HG1 VAL 7 4.213 -3.980 -8.035 52 1HG2 VAL 7 1HG2 VAL 7 1.522 -4.522 -8.676 53 2HG2 VAL 7 2HG2 VAL 7 1.949 -4.605 -6.967 54 3HG2 VAL 7 3HG2 VAL 7 1.076 -5.938 -7.723 55 H ASN 8 H ASN 8 0.534 -6.852 -10.236 56 HA ASN 8 HA ASN 8 1.317 -5.737 -12.867 57 1HB ASN 8 2HB ASN 8 -0.600 -7.600 -12.092 58 2HB ASN 8 1HB ASN 8 -1.545 -6.149 -12.429 59 1HD2 ASN 8 1HD2 ASN 8 -1.623 -5.376 -14.637 60 2HD2 ASN 8 2HD2 ASN 8 -0.967 -6.260 -15.931 61 H CYS 9 H CYS 9 0.869 -3.665 -13.487 62 HA CYS 9 HA CYS 9 0.180 -1.689 -11.508 63 1HB CYS 9 2HB CYS 9 1.608 -1.369 -13.615 64 2HB CYS 9 1HB CYS 9 0.089 -1.287 -14.506 65 HA PRO 10 HA PRO 10 -4.237 -2.274 -12.018 66 1HB PRO 10 2HB PRO 10 -4.904 -0.755 -9.826 67 2HB PRO 10 1HB PRO 10 -4.361 -2.438 -9.727 68 1HG PRO 10 2HG PRO 10 -2.882 0.050 -9.034 69 2HG PRO 10 1HG PRO 10 -2.648 -1.599 -8.432 70 1HD PRO 10 2HD PRO 10 -1.073 -0.283 -10.402 71 2HD PRO 10 1HD PRO 10 -1.005 -2.004 -9.970 72 H THR 11 H THR 11 -2.556 0.169 -13.180 73 HA THR 11 HA THR 11 -4.893 2.027 -13.372 74 HB THR 11 HB THR 11 -1.930 2.677 -13.350 75 HG1 THR 11 HG1 THR 11 -2.316 3.141 -11.357 76 1HG2 THR 11 1HG2 THR 11 -2.569 4.334 -14.780 77 2HG2 THR 11 2HG2 THR 11 -3.206 5.083 -13.315 78 3HG2 THR 11 3HG2 THR 11 -4.277 4.164 -14.372 79 H CYS 12 H CYS 12 -1.949 0.888 -15.067 80 HA CYS 12 HA CYS 12 -3.308 1.497 -17.657 81 1HB CYS 12 2HB CYS 12 -1.104 1.534 -18.661 82 2HB CYS 12 1HB CYS 12 -1.073 2.557 -17.227 83 H GLY 13 H GLY 13 -1.956 -1.098 -15.707 84 1HA GLY 13 2HA GLY 13 -2.499 -3.417 -15.996 85 2HA GLY 13 1HA GLY 13 -3.020 -3.067 -17.648 86 H LYS 14 H LYS 14 -0.105 -3.197 -15.603 87 HA LYS 14 HA LYS 14 1.402 -4.320 -17.907 88 1HB LYS 14 2HB LYS 14 1.630 -1.685 -17.457 89 2HB LYS 14 1HB LYS 14 2.792 -2.255 -16.260 90 1HG LYS 14 2HG LYS 14 3.745 -3.705 -18.191 91 2HG LYS 14 1HG LYS 14 2.836 -2.624 -19.250 92 1HD LYS 14 2HD LYS 14 4.033 -0.699 -18.457 93 2HD LYS 14 1HD LYS 14 4.763 -1.620 -17.141 94 1HE LYS 14 2HE LYS 14 5.705 -3.114 -19.105 95 2HE LYS 14 1HE LYS 14 5.411 -1.669 -20.074 96 1HZ LYS 14 1HZ LYS 14 7.331 -2.102 -17.912 97 2HZ LYS 14 2HZ LYS 14 6.628 -0.558 -18.020 98 3HZ LYS 14 3HZ LYS 14 7.489 -1.198 -19.338 99 H THR 15 H THR 15 2.861 -5.884 -17.265 100 HA THR 15 HA THR 15 2.816 -6.698 -14.449 101 HB THR 15 HB THR 15 4.430 -7.883 -16.730 102 HG1 THR 15 HG1 THR 15 2.565 -8.499 -17.434 103 1HG2 THR 15 1HG2 THR 15 5.117 -8.532 -14.429 104 2HG2 THR 15 2HG2 THR 15 4.445 -9.890 -15.333 105 3HG2 THR 15 3HG2 THR 15 3.468 -9.073 -14.112 106 H VAL 16 H VAL 16 4.145 -5.739 -13.018 107 HA VAL 16 HA VAL 16 6.859 -4.859 -13.935 108 HB VAL 16 HB VAL 16 5.247 -3.798 -11.591 109 1HG1 VAL 16 1HG1 VAL 16 7.597 -3.473 -11.221 110 2HG1 VAL 16 2HG1 VAL 16 6.963 -1.931 -11.797 111 3HG1 VAL 16 3HG1 VAL 16 7.856 -2.983 -12.895 112 1HG2 VAL 16 1HG2 VAL 16 5.126 -1.734 -13.127 113 2HG2 VAL 16 2HG2 VAL 16 4.082 -3.093 -13.547 114 3HG2 VAL 16 3HG2 VAL 16 5.580 -2.824 -14.437 115 H VAL 17 H VAL 17 8.619 -5.678 -12.812 116 HA VAL 17 HA VAL 17 8.300 -8.024 -11.218 117 HB VAL 17 HB VAL 17 10.365 -7.430 -12.511 118 1HG1 VAL 17 1HG1 VAL 17 10.753 -5.491 -10.211 119 2HG1 VAL 17 2HG1 VAL 17 10.575 -5.080 -11.917 120 3HG1 VAL 17 3HG1 VAL 17 12.014 -5.936 -11.360 121 1HG2 VAL 17 1HG2 VAL 17 11.833 -8.534 -11.010 122 2HG2 VAL 17 2HG2 VAL 17 10.227 -9.097 -10.546 123 3HG2 VAL 17 3HG2 VAL 17 11.032 -7.850 -9.594 124 H TRP 18 H TRP 18 8.299 -8.358 -9.010 125 HA TRP 18 HA TRP 18 8.272 -5.923 -7.267 126 1HB TRP 18 2HB TRP 18 5.990 -6.787 -7.543 127 2HB TRP 18 1HB TRP 18 6.523 -8.397 -7.066 128 HD1 TRP 18 HD1 TRP 18 6.521 -8.938 -4.567 129 HE1 TRP 18 HE1 TRP 18 6.165 -7.585 -2.402 130 HE3 TRP 18 HE3 TRP 18 6.396 -4.213 -6.494 131 HZ2 TRP 18 HZ2 TRP 18 5.869 -4.856 -1.594 132 HZ3 TRP 18 HZ3 TRP 18 6.079 -2.261 -5.007 133 HH2 TRP 18 HH2 TRP 18 5.814 -2.572 -2.564 134 H GLY 19 H GLY 19 9.131 -6.218 -5.142 135 1HA GLY 19 2HA GLY 19 9.955 -7.964 -3.468 136 2HA GLY 19 1HA GLY 19 10.834 -8.660 -4.829 137 H GLU 20 H GLU 20 12.774 -7.731 -5.463 138 HA GLU 20 HA GLU 20 13.573 -5.071 -4.561 139 1HB GLU 20 2HB GLU 20 13.996 -7.059 -2.714 140 2HB GLU 20 1HB GLU 20 15.522 -7.072 -3.598 141 1HG GLU 20 2HG GLU 20 14.344 -4.444 -2.741 142 2HG GLU 20 1HG GLU 20 15.208 -5.430 -1.560 143 H ILE 21 H ILE 21 13.971 -4.699 -6.764 144 HA ILE 21 HA ILE 21 16.563 -5.549 -7.751 145 HB ILE 21 HB ILE 21 15.450 -7.569 -8.406 146 1HG1 ILE 21 2HG1 ILE 21 15.306 -5.845 -10.886 147 2HG1 ILE 21 1HG1 ILE 21 16.846 -6.290 -10.151 148 1HG2 ILE 21 1HG2 ILE 21 13.322 -7.671 -9.480 149 2HG2 ILE 21 2HG2 ILE 21 13.315 -5.937 -9.796 150 3HG2 ILE 21 3HG2 ILE 21 13.123 -6.534 -8.148 151 1HD1 ILE 21 1HD1 ILE 21 14.730 -8.166 -11.241 152 2HD1 ILE 21 2HD1 ILE 21 16.120 -8.707 -10.298 153 3HD1 ILE 21 3HD1 ILE 21 16.363 -7.925 -11.860 154 H SER 22 H SER 22 13.399 -4.202 -8.708 155 HA SER 22 HA SER 22 14.817 -2.221 -10.425 156 1HB SER 22 2HB SER 22 12.601 -1.783 -11.408 157 2HB SER 22 1HB SER 22 12.979 -3.501 -11.479 158 HG SER 22 HG SER 22 10.876 -2.368 -10.397 159 HA PRO 23 HA PRO 23 13.955 1.066 -7.637 160 1HB PRO 23 2HB PRO 23 13.568 3.137 -9.409 161 2HB PRO 23 1HB PRO 23 15.157 2.450 -9.031 162 1HG PRO 23 2HG PRO 23 13.484 2.081 -11.476 163 2HG PRO 23 1HG PRO 23 15.245 2.006 -11.300 164 1HD PRO 23 2HD PRO 23 13.527 -0.219 -11.498 165 2HD PRO 23 1HD PRO 23 15.210 -0.260 -10.934 166 H PHE 24 H PHE 24 11.638 0.538 -10.273 167 HA PHE 24 HA PHE 24 9.491 1.724 -8.564 168 1HB PHE 24 2HB PHE 24 10.135 2.111 -11.326 169 2HB PHE 24 1HB PHE 24 8.577 1.289 -11.242 170 HD1 PHE 24 HD1 PHE 24 6.645 2.340 -10.198 171 HD2 PHE 24 HD2 PHE 24 10.460 4.312 -10.288 172 HE1 PHE 24 HE1 PHE 24 5.564 4.463 -9.507 173 HE2 PHE 24 HE2 PHE 24 9.380 6.437 -9.599 174 HZ PHE 24 HZ PHE 24 6.932 6.509 -9.207 175 H ARG 25 H ARG 25 9.881 -0.589 -7.572 176 HA ARG 25 HA ARG 25 8.975 -2.926 -8.929 177 1HB ARG 25 2HB ARG 25 9.307 -2.145 -6.062 178 2HB ARG 25 1HB ARG 25 8.351 -3.583 -6.420 179 1HG ARG 25 2HG ARG 25 10.152 -4.729 -7.324 180 2HG ARG 25 1HG ARG 25 10.994 -3.250 -7.791 181 1HD ARG 25 2HD ARG 25 10.572 -4.054 -4.904 182 2HD ARG 25 1HD ARG 25 12.008 -4.503 -5.823 183 HE ARG 25 HE ARG 25 11.539 -1.657 -5.986 184 1HH1 ARG 25 1HH2 ARG 25 11.333 -2.236 -3.029 185 2HH1 ARG 25 2HH2 ARG 25 12.983 -2.090 -2.522 186 1HH2 ARG 25 2HH1 ARG 25 14.268 -2.309 -5.748 187 2HH2 ARG 25 1HH1 ARG 25 14.652 -2.131 -4.068 188 HA PRO 26 HA PRO 26 4.599 -1.964 -7.238 189 1HB PRO 26 2HB PRO 26 4.199 0.456 -5.995 190 2HB PRO 26 1HB PRO 26 4.664 -1.019 -5.130 191 1HG PRO 26 2HG PRO 26 6.331 1.357 -5.821 192 2HG PRO 26 1HG PRO 26 6.508 0.215 -4.479 193 1HD PRO 26 2HD PRO 26 8.036 0.218 -6.855 194 2HD PRO 26 1HD PRO 26 7.950 -1.105 -5.674 195 H PHE 27 H PHE 27 3.351 -1.446 -9.001 196 HA PHE 27 HA PHE 27 2.463 -0.277 -10.826 197 1HB PHE 27 2HB PHE 27 3.661 2.055 -9.305 198 2HB PHE 27 1HB PHE 27 2.793 2.257 -10.824 199 HD1 PHE 27 HD1 PHE 27 0.418 2.194 -10.909 200 HD2 PHE 27 HD2 PHE 27 2.472 0.981 -7.336 201 HE1 PHE 27 HE1 PHE 27 -1.738 2.137 -9.687 202 HE2 PHE 27 HE2 PHE 27 0.314 0.923 -6.116 203 HZ PHE 27 HZ PHE 27 -1.790 1.502 -7.291 204 H CYS 28 H CYS 28 3.202 0.954 -12.819 205 HA CYS 28 HA CYS 28 5.990 0.151 -13.447 206 1HB CYS 28 2HB CYS 28 5.341 0.466 -15.789 207 2HB CYS 28 1HB CYS 28 4.162 -0.557 -14.969 208 H SER 29 H SER 29 4.019 3.052 -13.081 209 HA SER 29 HA SER 29 6.484 4.676 -13.452 210 1HB SER 29 2HB SER 29 4.251 4.581 -15.280 211 2HB SER 29 1HB SER 29 4.376 6.190 -14.574 212 HG SER 29 HG SER 29 5.723 6.091 -16.350 213 H LYS 30 H LYS 30 6.335 6.803 -12.465 214 HA LYS 30 HA LYS 30 5.038 6.854 -9.918 215 1HB LYS 30 2HB LYS 30 6.969 8.378 -11.203 216 2HB LYS 30 1HB LYS 30 5.616 9.499 -11.071 217 1HG LYS 30 2HG LYS 30 5.966 8.005 -8.603 218 2HG LYS 30 1HG LYS 30 7.453 8.844 -9.051 219 1HD LYS 30 2HD LYS 30 6.566 10.851 -8.518 220 2HD LYS 30 1HD LYS 30 5.125 10.534 -9.487 221 1HE LYS 30 2HE LYS 30 4.202 9.163 -7.628 222 2HE LYS 30 1HE LYS 30 5.618 9.561 -6.653 223 1HZ LYS 30 1HZ LYS 30 3.783 11.589 -7.818 224 2HZ LYS 30 2HZ LYS 30 5.043 11.860 -6.713 225 3HZ LYS 30 3HZ LYS 30 3.659 11.000 -6.232 226 H ARG 31 H ARG 31 4.105 8.130 -13.087 227 HA ARG 31 HA ARG 31 1.818 9.658 -12.224 228 1HB ARG 31 2HB ARG 31 3.097 8.968 -14.702 229 2HB ARG 31 1HB ARG 31 1.378 8.613 -14.849 230 1HG ARG 31 2HG ARG 31 1.898 11.175 -13.511 231 2HG ARG 31 1HG ARG 31 2.530 11.116 -15.159 232 1HD ARG 31 2HD ARG 31 0.211 10.080 -15.757 233 2HD ARG 31 1HD ARG 31 -0.310 10.762 -14.218 234 HE ARG 31 HE ARG 31 0.763 12.959 -15.340 235 1HH1 ARG 31 1HH2 ARG 31 -2.202 12.443 -15.516 236 2HH1 ARG 31 2HH2 ARG 31 -2.492 12.570 -17.223 237 1HH2 ARG 31 2HH1 ARG 31 0.868 12.242 -18.077 238 2HH2 ARG 31 1HH1 ARG 31 -0.741 12.464 -18.680 239 H CYS 32 H CYS 32 2.107 6.325 -13.555 240 HA CYS 32 HA CYS 32 -0.619 5.619 -13.524 241 1HB CYS 32 2HB CYS 32 1.938 4.104 -13.321 242 2HB CYS 32 1HB CYS 32 0.470 3.254 -12.835 243 H GLN 33 H GLN 33 1.737 5.444 -10.835 244 HA GLN 33 HA GLN 33 -0.119 4.347 -8.921 245 1HB GLN 33 2HB GLN 33 2.454 4.458 -8.760 246 2HB GLN 33 1HB GLN 33 2.226 6.124 -8.228 247 1HG GLN 33 2HG GLN 33 0.602 5.198 -6.482 248 2HG GLN 33 1HG GLN 33 1.228 3.600 -6.894 249 1HE2 GLN 33 1HE2 GLN 33 2.292 6.834 -5.725 250 2HE2 GLN 33 2HE2 GLN 33 3.665 6.257 -4.908 251 H LEU 34 H LEU 34 0.695 7.642 -9.937 252 HA LEU 34 HA LEU 34 -0.666 9.065 -7.863 253 1HB LEU 34 2HB LEU 34 0.918 9.877 -9.843 254 2HB LEU 34 1HB LEU 34 -0.615 10.117 -10.677 255 HG LEU 34 HG LEU 34 -1.397 11.548 -8.793 256 1HD1 LEU 34 1HD1 LEU 34 0.146 12.210 -7.035 257 2HD1 LEU 34 2HD1 LEU 34 1.447 11.275 -7.769 258 3HD1 LEU 34 3HD1 LEU 34 0.062 10.450 -7.055 259 1HD2 LEU 34 1HD2 LEU 34 1.249 12.290 -10.069 260 2HD2 LEU 34 2HD2 LEU 34 0.219 13.433 -9.207 261 3HD2 LEU 34 3HD2 LEU 34 -0.364 12.657 -10.679 262 H ILE 35 H ILE 35 -1.818 8.613 -11.244 263 HA ILE 35 HA ILE 35 -4.508 9.309 -10.796 264 HB ILE 35 HB ILE 35 -3.285 7.376 -12.783 265 1HG1 ILE 35 2HG1 ILE 35 -4.473 9.776 -13.856 266 2HG1 ILE 35 1HG1 ILE 35 -3.359 10.207 -12.557 267 1HG2 ILE 35 1HG2 ILE 35 -5.375 7.394 -13.992 268 2HG2 ILE 35 2HG2 ILE 35 -6.080 8.546 -12.858 269 3HG2 ILE 35 3HG2 ILE 35 -5.729 6.899 -12.338 270 1HD1 ILE 35 1HD1 ILE 35 -2.793 8.760 -15.131 271 2HD1 ILE 35 2HD1 ILE 35 -1.754 8.492 -13.732 272 3HD1 ILE 35 3HD1 ILE 35 -1.928 10.113 -14.404 273 H ASP 36 H ASP 36 -2.851 6.311 -9.973 274 HA ASP 36 HA ASP 36 -5.040 4.544 -9.702 275 1HB ASP 36 2HB ASP 36 -2.568 4.010 -9.362 276 2HB ASP 36 1HB ASP 36 -2.740 4.686 -7.742 277 H LEU 37 H LEU 37 -3.757 6.921 -7.346 278 HA LEU 37 HA LEU 37 -5.656 6.351 -5.270 279 1HB LEU 37 2HB LEU 37 -3.994 8.780 -5.943 280 2HB LEU 37 1HB LEU 37 -5.126 8.796 -4.594 281 HG LEU 37 HG LEU 37 -3.156 6.539 -4.849 282 1HD1 LEU 37 1HD1 LEU 37 -1.766 8.530 -5.059 283 2HD1 LEU 37 2HD1 LEU 37 -1.586 7.882 -3.429 284 3HD1 LEU 37 3HD1 LEU 37 -2.601 9.297 -3.709 285 1HD2 LEU 37 1HD2 LEU 37 -5.022 7.647 -2.859 286 2HD2 LEU 37 2HD2 LEU 37 -3.422 7.316 -2.199 287 3HD2 LEU 37 3HD2 LEU 37 -4.340 6.026 -2.973 288 H GLY 38 H GLY 38 -5.616 9.069 -7.637 289 1HA GLY 38 2HA GLY 38 -7.642 9.482 -8.995 290 2HA GLY 38 1HA GLY 38 -8.602 8.959 -7.622 291 H GLU 39 H GLU 39 -5.909 11.055 -6.912 292 HA GLU 39 HA GLU 39 -7.846 13.313 -6.539 293 1HB GLU 39 2HB GLU 39 -5.384 12.498 -4.977 294 2HB GLU 39 1HB GLU 39 -6.092 14.107 -4.832 295 1HG GLU 39 2HG GLU 39 -7.445 13.208 -3.257 296 2HG GLU 39 1HG GLU 39 -8.295 12.440 -4.597 297 H TRP 40 H TRP 40 -6.405 12.695 -9.006 298 HA TRP 40 HA TRP 40 -4.935 15.249 -9.335 299 1HB TRP 40 2HB TRP 40 -3.733 12.948 -10.754 300 2HB TRP 40 1HB TRP 40 -2.950 14.322 -9.975 301 HD1 TRP 40 HD1 TRP 40 -4.259 10.826 -9.296 302 HE1 TRP 40 HE1 TRP 40 -3.455 10.065 -6.973 303 HE3 TRP 40 HE3 TRP 40 -2.230 15.174 -7.594 304 HZ2 TRP 40 HZ2 TRP 40 -2.127 11.146 -4.689 305 HZ3 TRP 40 HZ3 TRP 40 -1.197 15.285 -5.348 306 HH2 TRP 40 HH2 TRP 40 -1.144 13.282 -3.888 307 H ALA 41 H ALA 41 -5.801 12.297 -11.146 308 HA ALA 41 HA ALA 41 -7.424 13.907 -13.030 309 1HB ALA 41 1HB ALA 41 -5.261 13.959 -14.112 310 2HB ALA 41 2HB ALA 41 -6.268 12.800 -14.982 311 3HB ALA 41 3HB ALA 41 -5.038 12.229 -13.855 312 H ALA 42 H ALA 42 -8.976 12.637 -14.167 313 HA ALA 42 HA ALA 42 -9.740 10.157 -12.829 314 1HB ALA 42 1HB ALA 42 -11.595 10.181 -14.575 315 2HB ALA 42 2HB ALA 42 -10.902 11.692 -15.164 316 3HB ALA 42 3HB ALA 42 -11.533 11.594 -13.520 317 H GLU 43 H GLU 43 -8.382 11.037 -15.990 318 HA GLU 43 HA GLU 43 -7.871 8.126 -16.456 319 1HB GLU 43 2HB GLU 43 -8.180 8.532 -18.881 320 2HB GLU 43 1HB GLU 43 -9.647 8.875 -17.968 321 1HG GLU 43 2HG GLU 43 -9.652 11.014 -18.677 322 2HG GLU 43 1HG GLU 43 -8.002 11.252 -18.105 323 H GLU 44 H GLU 44 -6.071 7.806 -18.117 324 HA GLU 44 HA GLU 44 -3.808 9.609 -17.414 325 1HB GLU 44 2HB GLU 44 -3.802 6.897 -18.784 326 2HB GLU 44 1HB GLU 44 -2.379 7.786 -18.242 327 1HG GLU 44 2HG GLU 44 -2.586 6.797 -16.225 328 2HG GLU 44 1HG GLU 44 -4.118 7.645 -16.008 329 H LYS 45 H LYS 45 -2.464 10.520 -19.085 330 HA LYS 45 HA LYS 45 -3.828 11.447 -21.413 331 1HB LYS 45 2HB LYS 45 -1.144 11.684 -20.286 332 2HB LYS 45 1HB LYS 45 -1.119 11.624 -22.050 333 1HG LYS 45 2HG LYS 45 -2.760 13.428 -22.166 334 2HG LYS 45 1HG LYS 45 -2.899 13.448 -20.408 335 1HD LYS 45 2HD LYS 45 -0.183 13.733 -20.751 336 2HD LYS 45 1HD LYS 45 -0.821 14.623 -22.141 337 1HE LYS 45 2HE LYS 45 -1.823 15.036 -19.311 338 2HE LYS 45 1HE LYS 45 -0.558 16.022 -20.042 339 1HZ LYS 45 1HZ LYS 45 -3.347 15.691 -21.031 340 2HZ LYS 45 2HZ LYS 45 -2.138 16.569 -21.835 341 3HZ LYS 45 3HZ LYS 45 -2.696 17.088 -20.319 342 H ARG 46 H ARG 46 -1.172 9.043 -21.202 343 HA ARG 46 HA ARG 46 -1.232 8.201 -23.916 344 1HB ARG 46 2HB ARG 46 -0.432 6.838 -21.346 345 2HB ARG 46 1HB ARG 46 -0.352 5.980 -22.882 346 1HG ARG 46 2HG ARG 46 1.411 7.241 -23.647 347 2HG ARG 46 1HG ARG 46 0.893 8.689 -22.777 348 1HD ARG 46 2HD ARG 46 1.645 7.748 -20.662 349 2HD ARG 46 1HD ARG 46 2.036 6.217 -21.443 350 HE ARG 46 HE ARG 46 3.691 7.772 -22.822 351 1HH1 ARG 46 2HH1 ARG 46 4.228 6.559 -19.927 352 2HH1 ARG 46 1HH1 ARG 46 5.096 7.889 -19.229 353 1HH2 ARG 46 1HH2 ARG 46 4.193 10.132 -21.735 354 2HH2 ARG 46 2HH2 ARG 46 5.074 9.919 -20.256 355 H ILE 47 H ILE 47 -2.628 6.489 -21.099 356 HA ILE 47 HA ILE 47 -4.508 5.056 -22.904 357 HB ILE 47 HB ILE 47 -3.965 4.628 -19.949 358 1HG1 ILE 47 2HG1 ILE 47 -2.909 2.569 -21.685 359 2HG1 ILE 47 1HG1 ILE 47 -2.240 4.136 -22.143 360 1HG2 ILE 47 1HG2 ILE 47 -5.318 2.777 -20.070 361 2HG2 ILE 47 2HG2 ILE 47 -4.929 2.472 -21.763 362 3HG2 ILE 47 3HG2 ILE 47 -6.088 3.730 -21.339 363 1HD1 ILE 47 1HD1 ILE 47 -0.763 3.383 -20.461 364 2HD1 ILE 47 2HD1 ILE 47 -2.076 2.731 -19.481 365 3HD1 ILE 47 3HD1 ILE 47 -1.845 4.474 -19.596 366 HA PRO 48 HA PRO 48 -7.483 8.089 -21.349 367 1HB PRO 48 2HB PRO 48 -9.371 7.554 -23.284 368 2HB PRO 48 1HB PRO 48 -8.001 8.652 -23.532 369 1HG PRO 48 2HG PRO 48 -8.390 5.869 -24.546 370 2HG PRO 48 1HG PRO 48 -7.458 7.199 -25.253 371 1HD PRO 48 2HD PRO 48 -6.369 5.026 -23.827 372 2HD PRO 48 1HD PRO 48 -5.530 6.551 -24.181 373 H SER 49 H SER 49 -7.609 6.466 -19.511 374 HA SER 49 HA SER 49 -9.914 4.589 -19.776 375 1HB SER 49 2HB SER 49 -7.396 4.577 -18.199 376 2HB SER 49 1HB SER 49 -8.823 3.946 -17.382 377 HG SER 49 HG SER 49 -8.456 2.212 -18.505 378 H SER 50 H SER 50 -11.655 5.971 -19.374 379 HA SER 50 HA SER 50 -11.606 7.740 -17.012 380 1HB SER 50 2HB SER 50 -13.905 8.363 -17.756 381 2HB SER 50 1HB SER 50 -12.710 8.573 -19.031 382 HG SER 50 HG SER 50 -14.209 7.426 -20.050 383 H GLY 51 H GLY 51 -12.425 7.162 -15.052 384 1HA GLY 51 2HA GLY 51 -14.601 5.801 -14.239 385 2HA GLY 51 1HA GLY 51 -13.578 4.457 -14.751 386 H ASP 52 H ASP 52 -13.270 7.454 -12.813 387 HA ASP 52 HA ASP 52 -11.770 5.850 -10.782 388 1HB ASP 52 2HB ASP 52 -10.370 7.482 -12.207 389 2HB ASP 52 1HB ASP 52 -11.224 8.770 -11.358 390 H LEU 53 H LEU 53 -13.142 5.694 -9.069 391 HA LEU 53 HA LEU 53 -14.760 8.100 -8.326 392 1HB LEU 53 2HB LEU 53 -15.381 5.225 -8.471 393 2HB LEU 53 1HB LEU 53 -15.897 5.988 -6.966 394 HG LEU 53 HG LEU 53 -16.517 7.737 -9.173 395 1HD1 LEU 53 1HD1 LEU 53 -17.447 6.400 -10.749 396 2HD1 LEU 53 2HD1 LEU 53 -18.271 5.425 -9.530 397 3HD1 LEU 53 3HD1 LEU 53 -16.604 5.060 -9.973 398 1HD2 LEU 53 1HD2 LEU 53 -17.643 7.801 -7.005 399 2HD2 LEU 53 2HD2 LEU 53 -18.196 6.140 -7.209 400 3HD2 LEU 53 3HD2 LEU 53 -18.832 7.412 -8.249 401 H SER 54 H SER 54 -12.836 8.882 -7.151 402 HA SER 54 HA SER 54 -12.799 7.841 -4.380 403 1HB SER 54 2HB SER 54 -10.261 7.927 -4.379 404 2HB SER 54 1HB SER 54 -10.951 6.600 -5.308 405 HG SER 54 HG SER 54 -9.461 7.549 -6.616 406 H GLU 55 H GLU 55 -12.915 9.571 -3.029 407 HA GLU 55 HA GLU 55 -12.311 12.252 -4.151 408 1HB GLU 55 2HB GLU 55 -13.537 13.129 -2.174 409 2HB GLU 55 1HB GLU 55 -14.512 12.012 -3.125 410 1HG GLU 55 2HG GLU 55 -13.252 10.327 -1.318 411 2HG GLU 55 1HG GLU 55 -13.571 11.769 -0.352 412 H SER 56 H SER 56 -11.308 10.107 -1.493 413 HA SER 56 HA SER 56 -8.805 11.625 -1.274 414 1HB SER 56 2HB SER 56 -10.899 12.345 0.420 415 2HB SER 56 1HB SER 56 -9.918 11.264 1.405 416 HG SER 56 HG SER 56 -9.110 13.346 1.577 417 H ASP 57 H ASP 57 -7.780 9.690 -1.855 418 HA ASP 57 HA ASP 57 -6.796 7.597 -1.553 419 1HB ASP 57 2HB ASP 57 -7.327 8.380 1.326 420 2HB ASP 57 1HB ASP 57 -6.399 6.953 0.865 421 H ASP 58 H ASP 58 -8.955 6.952 -2.614 422 HA ASP 58 HA ASP 58 -10.429 5.081 -0.798 423 1HB ASP 58 2HB ASP 58 -11.351 6.886 -2.999 424 2HB ASP 58 1HB ASP 58 -12.183 5.345 -2.791 425 H TRP 59 H TRP 59 -9.299 5.566 -4.160 426 HA TRP 59 HA TRP 59 -9.558 2.674 -4.702 427 1HB TRP 59 2HB TRP 59 -8.942 5.115 -6.333 428 2HB TRP 59 1HB TRP 59 -8.429 3.541 -6.937 429 HD1 TRP 59 HD1 TRP 59 -11.659 4.075 -4.932 430 HE1 TRP 59 HE1 TRP 59 -13.661 3.465 -6.435 431 HE3 TRP 59 HE3 TRP 59 -9.233 3.313 -9.356 432 HZ2 TRP 59 HZ2 TRP 59 -14.166 2.748 -9.159 433 HZ3 TRP 59 HZ3 TRP 59 -10.496 2.671 -11.385 434 HH2 TRP 59 HH2 TRP 59 -12.956 2.386 -11.296 435 H SER 60 H SER 60 -7.905 1.303 -4.237 436 HA SER 60 HA SER 60 -5.115 2.340 -4.398 437 1HB SER 60 2HB SER 60 -6.540 1.348 -2.026 438 2HB SER 60 1HB SER 60 -4.988 0.559 -2.298 439 HG SER 60 HG SER 60 -4.458 2.360 -1.213 440 H GLU 61 H GLU 61 -7.045 -0.677 -3.957 441 HA GLU 61 HA GLU 61 -4.987 -2.052 -5.643 442 1HB GLU 61 2HB GLU 61 -6.397 -2.813 -3.167 443 2HB GLU 61 1HB GLU 61 -6.344 -4.081 -4.391 444 1HG GLU 61 2HG GLU 61 -4.333 -4.446 -3.262 445 2HG GLU 61 1HG GLU 61 -3.810 -3.403 -4.584 446 H GLU 62 H GLU 62 -7.081 -0.631 -6.918 447 HA GLU 62 HA GLU 62 -8.542 -2.913 -8.149 448 1HB GLU 62 2HB GLU 62 -10.592 -1.504 -8.320 449 2HB GLU 62 1HB GLU 62 -10.156 -1.871 -6.654 450 1HG GLU 62 2HG GLU 62 -8.774 0.511 -7.315 451 2HG GLU 62 1HG GLU 62 -10.418 0.707 -7.926 452 HA PRO 63 HA PRO 63 -7.074 -1.009 -11.835 453 1HB PRO 63 2HB PRO 63 -8.574 -2.481 -13.605 454 2HB PRO 63 1HB PRO 63 -7.131 -3.097 -12.781 455 1HG PRO 63 2HG PRO 63 -10.000 -3.713 -12.250 456 2HG PRO 63 1HG PRO 63 -8.562 -4.697 -11.930 457 1HD PRO 63 2HD PRO 63 -10.002 -3.193 -10.011 458 2HD PRO 63 1HD PRO 63 -8.393 -3.910 -9.784 459 H LYS 64 H LYS 64 -7.777 0.440 -13.517 460 HA LYS 64 HA LYS 64 -10.125 2.010 -12.878 461 1HB LYS 64 2HB LYS 64 -7.771 2.392 -14.370 462 2HB LYS 64 1HB LYS 64 -9.087 2.521 -15.539 463 1HG LYS 64 2HG LYS 64 -8.750 4.725 -14.632 464 2HG LYS 64 1HG LYS 64 -10.230 4.103 -13.902 465 1HD LYS 64 2HD LYS 64 -9.237 4.690 -11.928 466 2HD LYS 64 1HD LYS 64 -8.333 3.189 -12.138 467 1HE LYS 64 2HE LYS 64 -6.755 4.712 -13.622 468 2HE LYS 64 1HE LYS 64 -7.458 6.012 -12.655 469 1HZ LYS 64 1HZ LYS 64 -6.565 5.194 -10.733 470 2HZ LYS 64 2HZ LYS 64 -5.349 4.763 -11.835 471 3HZ LYS 64 3HZ LYS 64 -6.466 3.599 -11.299 472 H GLN 65 HN GLN 65 -12.175 1.687 -13.572 473 HA GLN 65 HA GLN 65 -13.984 1.037 -14.907 474 1HB GLN 65 2HB GLN 65 -11.850 0.254 -16.921 475 2HB GLN 65 1HB GLN 65 -13.583 0.215 -17.223 476 1HG GLN 65 2HG GLN 65 -13.398 2.743 -16.342 477 2HG GLN 65 1HG GLN 65 -11.761 2.566 -16.974 478 1HE2 GLN 65 1HE2 GLN 65 -11.679 1.590 -19.321 479 2HE2 GLN 65 2HE2 GLN 65 -12.891 2.104 -20.399 Start of MODEL 12 1 H MET 1 1H MET 1 13.921 -9.417 -0.806 2 HA MET 1 HA MET 1 11.703 -10.520 -0.381 3 1HB MET 1 2HB MET 1 11.111 -9.009 -2.745 4 2HB MET 1 1HB MET 1 10.994 -10.722 -3.142 5 1HG MET 1 2HG MET 1 9.744 -9.732 -0.597 6 2HG MET 1 1HG MET 1 8.909 -9.468 -2.128 7 1HE MET 1 1HE MET 1 6.774 -12.256 -1.034 8 2HE MET 1 2HE MET 1 7.146 -10.539 -0.893 9 3HE MET 1 3HE MET 1 7.687 -11.653 0.360 10 H SER 2 H SER 2 12.237 -12.657 -0.355 11 HA SER 2 HA SER 2 14.565 -13.646 -1.744 12 1HB SER 2 2HB SER 2 13.792 -15.890 -0.882 13 2HB SER 2 1HB SER 2 13.947 -14.661 0.369 14 HG SER 2 HG SER 2 11.918 -16.026 0.188 15 H GLU 3 H GLU 3 11.058 -14.171 -2.219 16 HA GLU 3 HA GLU 3 11.592 -15.595 -4.760 17 1HB GLU 3 2HB GLU 3 9.332 -15.369 -2.888 18 2HB GLU 3 1HB GLU 3 8.850 -15.266 -4.582 19 1HG GLU 3 2HG GLU 3 10.827 -17.388 -3.927 20 2HG GLU 3 1HG GLU 3 9.201 -17.626 -3.288 21 H THR 4 H THR 4 11.543 -14.546 -6.698 22 HA THR 4 HA THR 4 10.979 -11.668 -6.730 23 HB THR 4 HB THR 4 11.608 -13.379 -9.143 24 HG1 THR 4 HG1 THR 4 13.500 -13.706 -8.337 25 1HG2 THR 4 1HG2 THR 4 10.953 -10.790 -9.055 26 2HG2 THR 4 2HG2 THR 4 12.180 -11.395 -10.167 27 3HG2 THR 4 3HG2 THR 4 12.663 -10.630 -8.654 28 H ILE 5 H ILE 5 8.730 -11.553 -6.358 29 HA ILE 5 HA ILE 5 6.910 -12.916 -8.256 30 HB ILE 5 HB ILE 5 5.106 -11.911 -6.857 31 1HG1 ILE 5 2HG1 ILE 5 6.916 -11.088 -4.697 32 2HG1 ILE 5 1HG1 ILE 5 7.068 -10.079 -6.136 33 1HG2 ILE 5 1HG2 ILE 5 6.750 -14.021 -6.259 34 2HG2 ILE 5 2HG2 ILE 5 5.295 -13.607 -5.354 35 3HG2 ILE 5 3HG2 ILE 5 6.871 -13.058 -4.787 36 1HD1 ILE 5 1HD1 ILE 5 4.603 -9.763 -6.150 37 2HD1 ILE 5 2HD1 ILE 5 5.336 -9.164 -4.662 38 3HD1 ILE 5 3HD1 ILE 5 4.490 -10.713 -4.667 39 H THR 6 H THR 6 5.224 -11.569 -9.379 40 HA THR 6 HA THR 6 6.316 -8.877 -10.112 41 HB THR 6 HB THR 6 5.291 -9.290 -12.383 42 HG1 THR 6 HG1 THR 6 4.053 -10.963 -12.498 43 1HG2 THR 6 1HG2 THR 6 7.314 -11.419 -11.684 44 2HG2 THR 6 2HG2 THR 6 7.737 -9.708 -11.728 45 3HG2 THR 6 3HG2 THR 6 7.159 -10.510 -13.188 46 H VAL 7 H VAL 7 4.942 -7.217 -9.786 47 HA VAL 7 HA VAL 7 2.088 -7.830 -9.177 48 HB VAL 7 HB VAL 7 2.049 -5.511 -8.214 49 1HG1 VAL 7 1HG1 VAL 7 2.514 -7.496 -6.806 50 2HG1 VAL 7 2HG1 VAL 7 3.374 -6.070 -6.223 51 3HG1 VAL 7 3HG1 VAL 7 4.238 -7.311 -7.131 52 1HG2 VAL 7 1HG2 VAL 7 3.965 -4.677 -9.654 53 2HG2 VAL 7 2HG2 VAL 7 5.056 -5.591 -8.614 54 3HG2 VAL 7 3HG2 VAL 7 4.103 -4.269 -7.945 55 H ASN 8 H ASN 8 0.459 -7.037 -10.486 56 HA ASN 8 HA ASN 8 1.302 -5.764 -13.020 57 1HB ASN 8 2HB ASN 8 -0.393 -7.746 -12.737 58 2HB ASN 8 1HB ASN 8 -1.546 -6.467 -12.357 59 1HD2 ASN 8 1HD2 ASN 8 0.589 -7.719 -14.926 60 2HD2 ASN 8 2HD2 ASN 8 -0.145 -6.852 -16.187 61 H CYS 9 H CYS 9 0.813 -3.683 -13.591 62 HA CYS 9 HA CYS 9 0.047 -1.784 -11.554 63 1HB CYS 9 2HB CYS 9 1.533 -1.382 -13.621 64 2HB CYS 9 1HB CYS 9 0.030 -1.262 -14.534 65 HA PRO 10 HA PRO 10 -4.334 -2.407 -12.176 66 1HB PRO 10 2HB PRO 10 -5.100 -0.726 -10.141 67 2HB PRO 10 1HB PRO 10 -4.544 -2.390 -9.889 68 1HG PRO 10 2HG PRO 10 -3.105 0.168 -9.366 69 2HG PRO 10 1HG PRO 10 -2.900 -1.412 -8.595 70 1HD PRO 10 2HD PRO 10 -1.218 -0.304 -10.585 71 2HD PRO 10 1HD PRO 10 -1.221 -1.995 -10.041 72 H THR 11 H THR 11 -2.531 0.421 -12.791 73 HA THR 11 HA THR 11 -4.911 2.073 -13.422 74 HB THR 11 HB THR 11 -1.944 2.697 -13.567 75 HG1 THR 11 HG1 THR 11 -2.211 3.160 -11.557 76 1HG2 THR 11 1HG2 THR 11 -2.565 4.415 -14.888 77 2HG2 THR 11 2HG2 THR 11 -3.427 5.069 -13.496 78 3HG2 THR 11 3HG2 THR 11 -4.275 4.052 -14.660 79 H CYS 12 H CYS 12 -1.972 0.881 -15.121 80 HA CYS 12 HA CYS 12 -3.428 1.275 -17.701 81 1HB CYS 12 2HB CYS 12 -1.215 1.227 -18.766 82 2HB CYS 12 1HB CYS 12 -1.263 2.447 -17.496 83 H GLY 13 H GLY 13 -1.761 -1.157 -15.740 84 1HA GLY 13 2HA GLY 13 -2.340 -3.507 -15.871 85 2HA GLY 13 1HA GLY 13 -2.872 -3.256 -17.535 86 H LYS 14 H LYS 14 0.084 -3.011 -15.544 87 HA LYS 14 HA LYS 14 1.614 -4.220 -17.809 88 1HB LYS 14 2HB LYS 14 1.821 -1.578 -17.174 89 2HB LYS 14 1HB LYS 14 3.055 -2.264 -16.117 90 1HG LYS 14 2HG LYS 14 4.435 -2.358 -17.891 91 2HG LYS 14 1HG LYS 14 3.366 -3.576 -18.590 92 1HD LYS 14 2HD LYS 14 1.979 -1.302 -19.167 93 2HD LYS 14 1HD LYS 14 3.638 -0.704 -19.249 94 1HE LYS 14 2HE LYS 14 3.868 -1.655 -21.273 95 2HE LYS 14 1HE LYS 14 3.581 -3.240 -20.555 96 1HZ LYS 14 1HZ LYS 14 1.487 -1.352 -21.510 97 2HZ LYS 14 2HZ LYS 14 1.193 -2.863 -20.787 98 3HZ LYS 14 3HZ LYS 14 1.977 -2.774 -22.292 99 H THR 15 H THR 15 2.880 -5.914 -17.163 100 HA THR 15 HA THR 15 2.848 -6.743 -14.366 101 HB THR 15 HB THR 15 4.498 -7.913 -16.627 102 HG1 THR 15 HG1 THR 15 2.703 -8.631 -17.399 103 1HG2 THR 15 1HG2 THR 15 4.207 -8.535 -13.844 104 2HG2 THR 15 2HG2 THR 15 5.169 -9.375 -15.059 105 3HG2 THR 15 3HG2 THR 15 3.490 -9.841 -14.788 106 H VAL 16 H VAL 16 4.058 -5.492 -13.012 107 HA VAL 16 HA VAL 16 6.818 -4.721 -13.845 108 HB VAL 16 HB VAL 16 5.214 -3.741 -11.461 109 1HG1 VAL 16 1HG1 VAL 16 7.950 -3.402 -12.355 110 2HG1 VAL 16 2HG1 VAL 16 7.188 -2.828 -10.872 111 3HG1 VAL 16 3HG1 VAL 16 7.113 -1.849 -12.337 112 1HG2 VAL 16 1HG2 VAL 16 5.109 -3.047 -14.315 113 2HG2 VAL 16 2HG2 VAL 16 5.423 -1.657 -13.278 114 3HG2 VAL 16 3HG2 VAL 16 3.982 -2.640 -13.022 115 H VAL 17 H VAL 17 8.533 -5.746 -12.914 116 HA VAL 17 HA VAL 17 8.172 -8.016 -11.210 117 HB VAL 17 HB VAL 17 10.115 -7.667 -12.758 118 1HG1 VAL 17 1HG1 VAL 17 11.349 -5.969 -10.600 119 2HG1 VAL 17 2HG1 VAL 17 10.392 -5.222 -11.879 120 3HG1 VAL 17 3HG1 VAL 17 11.838 -6.148 -12.285 121 1HG2 VAL 17 1HG2 VAL 17 10.050 -9.237 -10.695 122 2HG2 VAL 17 2HG2 VAL 17 11.114 -8.053 -9.937 123 3HG2 VAL 17 3HG2 VAL 17 11.623 -8.884 -11.407 124 H TRP 18 H TRP 18 8.225 -8.236 -9.016 125 HA TRP 18 HA TRP 18 8.545 -5.745 -7.393 126 1HB TRP 18 2HB TRP 18 6.308 -6.724 -7.225 127 2HB TRP 18 1HB TRP 18 6.997 -8.295 -6.818 128 HD1 TRP 18 HD1 TRP 18 7.835 -8.683 -4.372 129 HE1 TRP 18 HE1 TRP 18 7.652 -7.311 -2.198 130 HE3 TRP 18 HE3 TRP 18 6.225 -4.223 -6.273 131 HZ2 TRP 18 HZ2 TRP 18 6.922 -4.676 -1.377 132 HZ3 TRP 18 HZ3 TRP 18 5.793 -2.302 -4.772 133 HH2 TRP 18 HH2 TRP 18 6.138 -2.521 -2.326 134 H GLY 19 H GLY 19 9.722 -5.919 -5.379 135 1HA GLY 19 2HA GLY 19 11.007 -7.344 -3.794 136 2HA GLY 19 1HA GLY 19 11.493 -8.326 -5.175 137 H GLU 20 H GLU 20 13.712 -7.814 -4.270 138 HA GLU 20 HA GLU 20 14.663 -5.059 -4.711 139 1HB GLU 20 2HB GLU 20 15.952 -7.589 -3.678 140 2HB GLU 20 1HB GLU 20 16.903 -6.148 -4.044 141 1HG GLU 20 2HG GLU 20 14.717 -5.198 -2.565 142 2HG GLU 20 1HG GLU 20 15.196 -6.685 -1.748 143 H ILE 21 H ILE 21 14.489 -4.768 -6.951 144 HA ILE 21 HA ILE 21 16.677 -5.801 -8.547 145 HB ILE 21 HB ILE 21 15.310 -7.755 -8.806 146 1HG1 ILE 21 2HG1 ILE 21 14.559 -6.189 -11.263 147 2HG1 ILE 21 1HG1 ILE 21 16.259 -6.496 -10.905 148 1HG2 ILE 21 1HG2 ILE 21 13.185 -6.887 -7.998 149 2HG2 ILE 21 2HG2 ILE 21 12.944 -7.585 -9.598 150 3HG2 ILE 21 3HG2 ILE 21 13.039 -5.836 -9.405 151 1HD1 ILE 21 1HD1 ILE 21 14.252 -8.745 -10.860 152 2HD1 ILE 21 2HD1 ILE 21 16.002 -8.830 -11.069 153 3HD1 ILE 21 3HD1 ILE 21 14.986 -8.222 -12.377 154 H SER 22 H SER 22 13.517 -4.158 -8.562 155 HA SER 22 HA SER 22 14.626 -2.254 -10.587 156 1HB SER 22 2HB SER 22 11.975 -3.560 -10.318 157 2HB SER 22 1HB SER 22 11.945 -1.854 -10.754 158 HG SER 22 HG SER 22 12.104 -3.326 -12.558 159 HA PRO 23 HA PRO 23 14.012 0.975 -7.664 160 1HB PRO 23 2HB PRO 23 13.516 3.071 -9.377 161 2HB PRO 23 1HB PRO 23 15.122 2.364 -9.127 162 1HG PRO 23 2HG PRO 23 13.274 2.052 -11.449 163 2HG PRO 23 1HG PRO 23 15.040 1.943 -11.399 164 1HD PRO 23 2HD PRO 23 13.258 -0.246 -11.493 165 2HD PRO 23 1HD PRO 23 14.983 -0.329 -11.082 166 H PHE 24 H PHE 24 11.515 0.676 -10.197 167 HA PHE 24 HA PHE 24 9.510 1.792 -8.285 168 1HB PHE 24 2HB PHE 24 10.005 2.517 -10.909 169 2HB PHE 24 1HB PHE 24 8.642 1.411 -11.070 170 HD1 PHE 24 HD1 PHE 24 9.822 4.379 -9.122 171 HD2 PHE 24 HD2 PHE 24 6.457 2.130 -10.562 172 HE1 PHE 24 HE1 PHE 24 8.288 6.145 -8.299 173 HE2 PHE 24 HE2 PHE 24 4.924 3.895 -9.739 174 HZ PHE 24 HZ PHE 24 5.839 5.903 -8.607 175 H ARG 25 H ARG 25 9.796 -0.507 -7.353 176 HA ARG 25 HA ARG 25 8.881 -2.825 -8.714 177 1HB ARG 25 2HB ARG 25 8.830 -2.109 -5.775 178 2HB ARG 25 1HB ARG 25 8.361 -3.692 -6.386 179 1HG ARG 25 2HG ARG 25 10.519 -4.301 -6.450 180 2HG ARG 25 1HG ARG 25 10.842 -3.011 -7.607 181 1HD ARG 25 2HD ARG 25 12.250 -2.852 -5.537 182 2HD ARG 25 1HD ARG 25 11.253 -1.426 -5.813 183 HE ARG 25 HE ARG 25 9.731 -2.252 -4.041 184 1HH1 ARG 25 2HH1 ARG 25 12.633 -1.995 -2.985 185 2HH1 ARG 25 1HH1 ARG 25 12.738 -3.425 -2.014 186 1HH2 ARG 25 1HH2 ARG 25 9.907 -4.885 -3.401 187 2HH2 ARG 25 2HH2 ARG 25 11.189 -5.067 -2.251 188 HA PRO 26 HA PRO 26 4.468 -1.845 -7.136 189 1HB PRO 26 2HB PRO 26 4.027 0.609 -5.974 190 2HB PRO 26 1HB PRO 26 4.477 -0.839 -5.057 191 1HG PRO 26 2HG PRO 26 6.147 1.527 -5.770 192 2HG PRO 26 1HG PRO 26 6.301 0.417 -4.397 193 1HD PRO 26 2HD PRO 26 7.879 0.376 -6.741 194 2HD PRO 26 1HD PRO 26 7.779 -0.913 -5.526 195 H PHE 27 H PHE 27 3.249 -1.388 -8.936 196 HA PHE 27 HA PHE 27 2.385 -0.278 -10.809 197 1HB PHE 27 2HB PHE 27 3.553 2.110 -9.350 198 2HB PHE 27 1HB PHE 27 2.673 2.252 -10.870 199 HD1 PHE 27 HD1 PHE 27 2.388 1.028 -7.355 200 HD2 PHE 27 HD2 PHE 27 0.303 2.202 -10.922 201 HE1 PHE 27 HE1 PHE 27 0.240 0.964 -6.120 202 HE2 PHE 27 HE2 PHE 27 -1.845 2.137 -9.686 203 HZ PHE 27 HZ PHE 27 -1.877 1.518 -7.286 204 H CYS 28 H CYS 28 3.196 1.105 -12.765 205 HA CYS 28 HA CYS 28 5.962 0.195 -13.371 206 1HB CYS 28 2HB CYS 28 5.347 0.665 -15.737 207 2HB CYS 28 1HB CYS 28 4.251 -0.485 -14.975 208 H SER 29 H SER 29 4.007 3.139 -13.140 209 HA SER 29 HA SER 29 6.526 4.719 -13.281 210 1HB SER 29 2HB SER 29 5.371 6.417 -14.699 211 2HB SER 29 1HB SER 29 5.575 4.873 -15.520 212 HG SER 29 HG SER 29 3.491 5.061 -15.806 213 H LYS 30 H LYS 30 6.221 6.947 -12.397 214 HA LYS 30 HA LYS 30 4.796 6.880 -9.898 215 1HB LYS 30 2HB LYS 30 5.453 9.287 -9.724 216 2HB LYS 30 1HB LYS 30 6.807 8.225 -10.099 217 1HG LYS 30 2HG LYS 30 7.153 9.199 -12.115 218 2HG LYS 30 1HG LYS 30 5.432 9.225 -12.493 219 1HD LYS 30 2HD LYS 30 5.588 11.095 -10.484 220 2HD LYS 30 1HD LYS 30 7.124 11.330 -11.319 221 1HE LYS 30 2HE LYS 30 5.995 12.538 -12.852 222 2HE LYS 30 1HE LYS 30 5.250 11.030 -13.378 223 1HZ LYS 30 1HZ LYS 30 3.716 11.548 -11.309 224 2HZ LYS 30 2HZ LYS 30 3.396 12.195 -12.846 225 3HZ LYS 30 3HZ LYS 30 4.173 13.141 -11.670 226 H ARG 31 H ARG 31 3.973 8.173 -13.092 227 HA ARG 31 HA ARG 31 1.699 9.722 -12.185 228 1HB ARG 31 2HB ARG 31 1.087 9.869 -14.545 229 2HB ARG 31 1HB ARG 31 2.821 10.126 -14.370 230 1HG ARG 31 2HG ARG 31 2.914 7.501 -14.750 231 2HG ARG 31 1HG ARG 31 1.359 7.784 -15.530 232 1HD ARG 31 2HD ARG 31 2.564 8.317 -17.369 233 2HD ARG 31 1HD ARG 31 2.913 9.834 -16.537 234 HE ARG 31 HE ARG 31 4.714 7.486 -16.157 235 1HH1 ARG 31 2HH1 ARG 31 5.330 8.848 -18.693 236 2HH1 ARG 31 1HH1 ARG 31 6.451 10.081 -18.216 237 1HH2 ARG 31 1HH2 ARG 31 5.628 9.880 -14.843 238 2HH2 ARG 31 2HH2 ARG 31 6.620 10.669 -16.024 239 H CYS 32 H CYS 32 2.140 6.361 -13.243 240 HA CYS 32 HA CYS 32 -0.655 5.692 -13.431 241 1HB CYS 32 2HB CYS 32 1.914 4.206 -13.288 242 2HB CYS 32 1HB CYS 32 0.490 3.328 -12.728 243 H GLN 33 H GLN 33 1.738 5.365 -10.797 244 HA GLN 33 HA GLN 33 -0.095 4.321 -8.842 245 1HB GLN 33 2HB GLN 33 2.455 4.312 -8.720 246 2HB GLN 33 1HB GLN 33 2.352 6.015 -8.274 247 1HG GLN 33 2HG GLN 33 1.072 5.498 -6.298 248 2HG GLN 33 1HG GLN 33 0.896 3.813 -6.788 249 1HE2 GLN 33 1HE2 GLN 33 3.261 6.214 -5.614 250 2HE2 GLN 33 2HE2 GLN 33 4.416 5.075 -5.111 251 H LEU 34 H LEU 34 0.767 7.588 -9.877 252 HA LEU 34 HA LEU 34 -0.505 9.026 -7.744 253 1HB LEU 34 2HB LEU 34 1.094 9.783 -9.761 254 2HB LEU 34 1HB LEU 34 -0.452 10.171 -10.510 255 HG LEU 34 HG LEU 34 -1.038 11.487 -8.439 256 1HD1 LEU 34 1HD1 LEU 34 0.645 10.277 -6.984 257 2HD1 LEU 34 2HD1 LEU 34 0.708 12.035 -6.858 258 3HD1 LEU 34 3HD1 LEU 34 1.915 11.175 -7.815 259 1HD2 LEU 34 1HD2 LEU 34 -0.267 13.285 -9.565 260 2HD2 LEU 34 2HD2 LEU 34 0.582 12.163 -10.628 261 3HD2 LEU 34 3HD2 LEU 34 1.408 12.849 -9.230 262 H ILE 35 H ILE 35 -1.670 8.732 -11.128 263 HA ILE 35 HA ILE 35 -4.316 9.552 -10.706 264 HB ILE 35 HB ILE 35 -3.287 7.463 -12.653 265 1HG1 ILE 35 2HG1 ILE 35 -4.013 10.267 -13.403 266 2HG1 ILE 35 1HG1 ILE 35 -2.492 10.019 -12.546 267 1HG2 ILE 35 1HG2 ILE 35 -5.334 8.133 -13.969 268 2HG2 ILE 35 2HG2 ILE 35 -5.900 8.998 -12.541 269 3HG2 ILE 35 3HG2 ILE 35 -5.691 7.246 -12.487 270 1HD1 ILE 35 1HD1 ILE 35 -2.537 9.887 -15.173 271 2HD1 ILE 35 2HD1 ILE 35 -3.165 8.263 -14.888 272 3HD1 ILE 35 3HD1 ILE 35 -1.583 8.719 -14.257 273 H ASP 36 H ASP 36 -2.868 6.417 -9.963 274 HA ASP 36 HA ASP 36 -5.178 4.818 -9.713 275 1HB ASP 36 2HB ASP 36 -2.695 4.162 -9.418 276 2HB ASP 36 1HB ASP 36 -2.894 4.677 -7.743 277 H LEU 37 H LEU 37 -3.755 7.073 -7.325 278 HA LEU 37 HA LEU 37 -5.610 6.485 -5.210 279 1HB LEU 37 2HB LEU 37 -3.706 8.692 -5.840 280 2HB LEU 37 1HB LEU 37 -4.973 9.040 -4.667 281 HG LEU 37 HG LEU 37 -3.613 6.442 -4.292 282 1HD1 LEU 37 1HD1 LEU 37 -2.158 9.079 -3.924 283 2HD1 LEU 37 2HD1 LEU 37 -1.668 7.737 -4.958 284 3HD1 LEU 37 3HD1 LEU 37 -1.637 7.556 -3.205 285 1HD2 LEU 37 1HD2 LEU 37 -3.833 7.042 -1.971 286 2HD2 LEU 37 2HD2 LEU 37 -5.322 7.559 -2.764 287 3HD2 LEU 37 3HD2 LEU 37 -4.077 8.743 -2.371 288 H GLY 38 H GLY 38 -5.534 9.304 -7.437 289 1HA GLY 38 2HA GLY 38 -7.552 9.939 -8.704 290 2HA GLY 38 1HA GLY 38 -8.527 9.292 -7.387 291 H GLU 39 H GLU 39 -5.718 11.261 -6.644 292 HA GLU 39 HA GLU 39 -7.532 13.557 -6.000 293 1HB GLU 39 2HB GLU 39 -5.306 12.330 -4.352 294 2HB GLU 39 1HB GLU 39 -5.899 13.965 -4.056 295 1HG GLU 39 2HG GLU 39 -7.419 12.960 -2.705 296 2HG GLU 39 1HG GLU 39 -8.246 12.537 -4.205 297 H TRP 40 H TRP 40 -6.158 13.366 -8.434 298 HA TRP 40 HA TRP 40 -4.118 15.525 -8.132 299 1HB TRP 40 2HB TRP 40 -3.791 13.338 -10.178 300 2HB TRP 40 1HB TRP 40 -2.572 14.440 -9.534 301 HD1 TRP 40 HD1 TRP 40 -4.120 11.097 -8.980 302 HE1 TRP 40 HE1 TRP 40 -3.169 10.025 -6.844 303 HE3 TRP 40 HE3 TRP 40 -1.648 15.095 -7.005 304 HZ2 TRP 40 HZ2 TRP 40 -1.581 10.751 -4.598 305 HZ3 TRP 40 HZ3 TRP 40 -0.420 14.880 -4.861 306 HH2 TRP 40 HH2 TRP 40 -0.382 12.712 -3.653 307 H ALA 41 H ALA 41 -4.706 17.243 -9.358 308 HA ALA 41 HA ALA 41 -6.770 16.897 -11.444 309 1HB ALA 41 1HB ALA 41 -5.473 19.331 -10.195 310 2HB ALA 41 2HB ALA 41 -7.130 18.765 -9.981 311 3HB ALA 41 3HB ALA 41 -6.620 19.434 -11.531 312 H ALA 42 H ALA 42 -3.412 18.091 -11.159 313 HA ALA 42 HA ALA 42 -1.795 18.526 -12.796 314 1HB ALA 42 1HB ALA 42 -1.377 16.739 -14.231 315 2HB ALA 42 2HB ALA 42 -3.088 16.456 -14.550 316 3HB ALA 42 3HB ALA 42 -2.383 15.960 -13.012 317 H GLU 43 H GLU 43 -3.615 20.434 -12.914 318 HA GLU 43 HA GLU 43 -4.978 20.656 -15.473 319 1HB GLU 43 2HB GLU 43 -5.245 21.929 -13.058 320 2HB GLU 43 1HB GLU 43 -4.376 23.148 -13.990 321 1HG GLU 43 2HG GLU 43 -6.990 21.810 -14.750 322 2HG GLU 43 1HG GLU 43 -6.762 23.499 -14.298 323 H GLU 44 H GLU 44 -3.600 20.621 -17.228 324 HA GLU 44 HA GLU 44 -1.103 22.201 -17.132 325 1HB GLU 44 2HB GLU 44 -2.145 19.959 -18.778 326 2HB GLU 44 1HB GLU 44 -1.065 21.090 -19.592 327 1HG GLU 44 2HG GLU 44 0.432 19.515 -18.689 328 2HG GLU 44 1HG GLU 44 0.448 20.802 -17.484 329 H LYS 45 H LYS 45 -4.137 22.095 -19.009 330 HA LYS 45 HA LYS 45 -3.484 24.854 -19.983 331 1HB LYS 45 2HB LYS 45 -3.640 22.533 -21.561 332 2HB LYS 45 1HB LYS 45 -5.157 23.385 -21.840 333 1HG LYS 45 2HG LYS 45 -3.111 25.354 -21.821 334 2HG LYS 45 1HG LYS 45 -2.540 24.036 -22.843 335 1HD LYS 45 2HD LYS 45 -4.799 24.074 -23.991 336 2HD LYS 45 1HD LYS 45 -5.137 25.564 -23.108 337 1HE LYS 45 2HE LYS 45 -3.112 26.597 -24.102 338 2HE LYS 45 1HE LYS 45 -2.824 25.124 -25.023 339 1HZ LYS 45 1HZ LYS 45 -5.087 25.425 -25.981 340 2HZ LYS 45 2HZ LYS 45 -3.988 26.645 -26.412 341 3HZ LYS 45 3HZ LYS 45 -5.165 26.940 -25.219 342 H ARG 46 H ARG 46 -5.185 26.318 -19.847 343 HA ARG 46 HA ARG 46 -7.703 25.314 -18.619 344 1HB ARG 46 2HB ARG 46 -6.240 27.906 -18.611 345 2HB ARG 46 1HB ARG 46 -8.001 28.008 -18.595 346 1HG ARG 46 2HG ARG 46 -7.100 25.962 -16.750 347 2HG ARG 46 1HG ARG 46 -6.309 27.497 -16.395 348 1HD ARG 46 2HD ARG 46 -8.260 27.781 -15.185 349 2HD ARG 46 1HD ARG 46 -8.777 28.446 -16.734 350 HE ARG 46 HE ARG 46 -9.409 25.659 -15.833 351 1HH1 ARG 46 1HH2 ARG 46 -11.484 27.838 -15.609 352 2HH1 ARG 46 2HH2 ARG 46 -12.394 27.610 -17.067 353 1HH2 ARG 46 2HH1 ARG 46 -9.961 25.660 -18.593 354 2HH2 ARG 46 1HH1 ARG 46 -11.527 26.382 -18.760 355 H ILE 47 H ILE 47 -9.065 24.639 -20.259 356 HA ILE 47 HA ILE 47 -9.258 26.160 -22.771 357 HB ILE 47 HB ILE 47 -10.904 23.811 -21.766 358 1HG1 ILE 47 2HG1 ILE 47 -9.214 23.191 -23.992 359 2HG1 ILE 47 1HG1 ILE 47 -8.222 23.968 -22.758 360 1HG2 ILE 47 1HG2 ILE 47 -10.665 25.038 -24.534 361 2HG2 ILE 47 2HG2 ILE 47 -12.069 25.164 -23.475 362 3HG2 ILE 47 3HG2 ILE 47 -11.595 23.595 -24.126 363 1HD1 ILE 47 1HD1 ILE 47 -10.145 21.965 -21.733 364 2HD1 ILE 47 2HD1 ILE 47 -8.459 22.236 -21.293 365 3HD1 ILE 47 3HD1 ILE 47 -8.854 21.312 -22.743 366 HA PRO 48 HA PRO 48 -12.311 28.790 -20.857 367 1HB PRO 48 2HB PRO 48 -12.646 30.395 -23.079 368 2HB PRO 48 1HB PRO 48 -11.326 30.581 -21.909 369 1HG PRO 48 2HG PRO 48 -11.249 29.413 -24.660 370 2HG PRO 48 1HG PRO 48 -9.965 30.225 -23.747 371 1HD PRO 48 2HD PRO 48 -10.192 27.446 -24.091 372 2HD PRO 48 1HD PRO 48 -9.209 28.250 -22.850 373 H SER 49 H SER 49 -14.277 27.855 -20.634 374 HA SER 49 HA SER 49 -15.657 26.674 -22.972 375 1HB SER 49 2HB SER 49 -15.668 26.254 -20.077 376 2HB SER 49 1HB SER 49 -17.293 26.324 -20.749 377 HG SER 49 HG SER 49 -15.721 24.285 -20.789 378 H SER 50 H SER 50 -17.609 27.410 -23.764 379 HA SER 50 HA SER 50 -18.385 30.162 -23.037 380 1HB SER 50 2HB SER 50 -18.424 28.672 -25.417 381 2HB SER 50 1HB SER 50 -20.118 28.852 -24.973 382 HG SER 50 HG SER 50 -19.296 30.619 -26.214 383 H GLY 51 H GLY 51 -20.075 30.612 -21.697 384 1HA GLY 51 2HA GLY 51 -21.480 28.555 -20.278 385 2HA GLY 51 1HA GLY 51 -21.902 30.267 -20.263 386 H ASP 52 H ASP 52 -22.588 30.781 -22.866 387 HA ASP 52 HA ASP 52 -24.937 28.977 -23.278 388 1HB ASP 52 2HB ASP 52 -24.617 31.875 -23.278 389 2HB ASP 52 1HB ASP 52 -25.350 31.306 -24.777 390 H LEU 53 H LEU 53 -24.881 27.725 -25.063 391 HA LEU 53 HA LEU 53 -23.497 28.705 -27.499 392 1HB LEU 53 2HB LEU 53 -22.345 26.525 -27.796 393 2HB LEU 53 1HB LEU 53 -21.802 27.361 -26.344 394 HG LEU 53 HG LEU 53 -24.090 25.689 -25.739 395 1HD1 LEU 53 1HD1 LEU 53 -21.703 24.377 -27.078 396 2HD1 LEU 53 2HD1 LEU 53 -23.389 24.287 -27.591 397 3HD1 LEU 53 3HD1 LEU 53 -22.879 23.504 -26.095 398 1HD2 LEU 53 1HD2 LEU 53 -22.889 25.890 -23.830 399 2HD2 LEU 53 2HD2 LEU 53 -21.446 26.386 -24.714 400 3HD2 LEU 53 3HD2 LEU 53 -21.799 24.673 -24.492 401 H SER 54 H SER 54 -24.134 27.433 -29.445 402 HA SER 54 HA SER 54 -26.963 26.597 -29.221 403 1HB SER 54 2HB SER 54 -25.446 27.950 -31.180 404 2HB SER 54 1HB SER 54 -25.875 26.400 -31.898 405 HG SER 54 HG SER 54 -27.791 27.203 -32.142 406 H GLU 55 H GLU 55 -27.381 24.482 -28.837 407 HA GLU 55 HA GLU 55 -25.402 22.413 -29.607 408 1HB GLU 55 2HB GLU 55 -27.781 22.512 -27.779 409 2HB GLU 55 1HB GLU 55 -27.260 20.950 -28.412 410 1HG GLU 55 2HG GLU 55 -25.733 20.907 -26.747 411 2HG GLU 55 1HG GLU 55 -24.883 22.191 -27.612 412 H SER 56 H SER 56 -28.974 22.761 -29.868 413 HA SER 56 HA SER 56 -28.964 20.944 -32.198 414 1HB SER 56 2HB SER 56 -30.813 21.497 -30.160 415 2HB SER 56 1HB SER 56 -31.530 22.188 -31.612 416 HG SER 56 HG SER 56 -30.800 20.023 -32.547 417 H ASP 57 H ASP 57 -28.527 21.822 -34.147 418 HA ASP 57 HA ASP 57 -29.648 24.527 -34.771 419 1HB ASP 57 2HB ASP 57 -26.987 23.333 -35.605 420 2HB ASP 57 1HB ASP 57 -27.658 24.815 -36.286 421 H ASP 58 H ASP 58 -31.193 24.324 -36.299 422 HA ASP 58 HA ASP 58 -31.465 21.919 -37.911 423 1HB ASP 58 2HB ASP 58 -32.939 24.527 -37.686 424 2HB ASP 58 1HB ASP 58 -33.238 23.484 -39.078 425 H TRP 59 H TRP 59 -30.726 21.574 -39.967 426 HA TRP 59 HA TRP 59 -29.305 23.832 -41.324 427 1HB TRP 59 2HB TRP 59 -28.791 20.907 -41.098 428 2HB TRP 59 1HB TRP 59 -28.407 21.661 -42.645 429 HD1 TRP 59 HD1 TRP 59 -26.868 24.014 -42.387 430 HE1 TRP 59 HE1 TRP 59 -24.828 24.382 -40.859 431 HE3 TRP 59 HE3 TRP 59 -27.628 20.285 -38.971 432 HZ2 TRP 59 HZ2 TRP 59 -23.673 23.260 -38.502 433 HZ3 TRP 59 HZ3 TRP 59 -26.039 19.965 -37.093 434 HH2 TRP 59 HH2 TRP 59 -24.065 21.448 -36.855 435 H SER 60 H SER 60 -30.273 24.607 -43.132 436 HA SER 60 HA SER 60 -32.192 22.823 -44.585 437 1HB SER 60 2HB SER 60 -32.323 25.843 -44.325 438 2HB SER 60 1HB SER 60 -33.496 24.816 -45.141 439 HG SER 60 HG SER 60 -34.147 25.332 -43.017 440 H GLU 61 H GLU 61 -30.383 22.146 -45.945 441 HA GLU 61 HA GLU 61 -29.211 24.238 -47.697 442 1HB GLU 61 2HB GLU 61 -27.916 22.247 -46.568 443 2HB GLU 61 1HB GLU 61 -28.570 21.306 -47.908 444 1HG GLU 61 2HG GLU 61 -27.368 23.923 -48.633 445 2HG GLU 61 1HG GLU 61 -26.241 22.692 -48.063 446 H GLU 62 H GLU 62 -30.798 21.040 -48.080 447 HA GLU 62 HA GLU 62 -32.103 20.177 -49.818 448 1HB GLU 62 2HB GLU 62 -32.849 23.105 -49.852 449 2HB GLU 62 1HB GLU 62 -33.578 21.957 -50.973 450 1HG GLU 62 2HG GLU 62 -35.094 21.776 -49.249 451 2HG GLU 62 1HG GLU 62 -33.934 20.557 -48.724 452 HA PRO 63 HA PRO 63 -28.951 21.306 -52.969 453 1HB PRO 63 2HB PRO 63 -28.055 18.725 -53.308 454 2HB PRO 63 1HB PRO 63 -27.402 19.840 -52.096 455 1HG PRO 63 2HG PRO 63 -29.230 17.513 -51.711 456 2HG PRO 63 1HG PRO 63 -28.072 18.229 -50.578 457 1HD PRO 63 2HD PRO 63 -30.870 18.630 -50.552 458 2HD PRO 63 1HD PRO 63 -29.670 19.595 -49.668 459 H LYS 64 H LYS 64 -30.053 21.650 -54.871 460 HA LYS 64 HA LYS 64 -31.945 19.609 -55.890 461 1HB LYS 64 2HB LYS 64 -31.565 22.509 -56.234 462 2HB LYS 64 1HB LYS 64 -31.928 21.662 -57.736 463 1HG LYS 64 2HG LYS 64 -34.058 22.200 -56.857 464 2HG LYS 64 1HG LYS 64 -33.824 20.510 -56.412 465 1HD LYS 64 2HD LYS 64 -34.667 21.769 -54.483 466 2HD LYS 64 1HD LYS 64 -33.010 21.239 -54.170 467 1HE LYS 64 2HE LYS 64 -32.142 23.438 -54.755 468 2HE LYS 64 1HE LYS 64 -33.747 23.981 -55.245 469 1HZ LYS 64 1HZ LYS 64 -33.431 22.921 -52.537 470 2HZ LYS 64 2HZ LYS 64 -34.443 24.163 -53.105 471 3HZ LYS 64 3HZ LYS 64 -32.787 24.455 -52.854 472 H GLN 65 HN GLN 65 -29.133 21.483 -57.110 473 HA GLN 65 HA GLN 65 -28.744 19.369 -59.183 474 1HB GLN 65 2HB GLN 65 -27.985 22.280 -59.038 475 2HB GLN 65 1HB GLN 65 -27.105 21.189 -60.109 476 1HG GLN 65 2HG GLN 65 -29.217 20.531 -61.195 477 2HG GLN 65 1HG GLN 65 -30.110 21.606 -60.113 478 1HE2 GLN 65 1HE2 GLN 65 -27.077 22.025 -62.056 479 2HE2 GLN 65 2HE2 GLN 65 -27.586 23.464 -62.804 Start of MODEL 13 1 H MET 1 1H MET 1 14.821 -23.577 -6.663 2 HA MET 1 HA MET 1 15.076 -22.532 -4.563 3 1HB MET 1 2HB MET 1 17.028 -21.920 -6.741 4 2HB MET 1 1HB MET 1 17.291 -21.161 -5.170 5 1HG MET 1 2HG MET 1 17.963 -23.109 -4.241 6 2HG MET 1 1HG MET 1 16.594 -23.987 -4.921 7 1HE MET 1 1HE MET 1 19.510 -26.183 -6.015 8 2HE MET 1 2HE MET 1 17.758 -26.260 -5.844 9 3HE MET 1 3HE MET 1 18.731 -25.566 -4.551 10 H SER 2 H SER 2 15.594 -19.934 -7.005 11 HA SER 2 HA SER 2 14.555 -17.977 -5.026 12 1HB SER 2 2HB SER 2 15.381 -16.281 -6.721 13 2HB SER 2 1HB SER 2 16.637 -17.298 -6.023 14 HG SER 2 HG SER 2 16.453 -16.973 -8.456 15 H GLU 3 H GLU 3 12.560 -17.109 -5.215 16 HA GLU 3 HA GLU 3 11.029 -17.626 -7.734 17 1HB GLU 3 2HB GLU 3 10.258 -17.595 -4.834 18 2HB GLU 3 1HB GLU 3 9.051 -17.135 -6.035 19 1HG GLU 3 2HG GLU 3 8.696 -19.427 -5.952 20 2HG GLU 3 1HG GLU 3 9.892 -19.343 -7.244 21 H THR 4 H THR 4 10.873 -15.792 -8.939 22 HA THR 4 HA THR 4 11.006 -13.141 -7.610 23 HB THR 4 HB THR 4 10.914 -13.806 -10.572 24 HG1 THR 4 HG1 THR 4 12.872 -14.439 -10.220 25 1HG2 THR 4 1HG2 THR 4 12.285 -11.376 -9.897 26 2HG2 THR 4 2HG2 THR 4 10.689 -11.354 -9.148 27 3HG2 THR 4 3HG2 THR 4 10.843 -11.584 -10.889 28 H ILE 5 H ILE 5 9.158 -12.080 -7.123 29 HA ILE 5 HA ILE 5 6.585 -13.000 -8.269 30 HB ILE 5 HB ILE 5 6.965 -10.780 -6.247 31 1HG1 ILE 5 2HG1 ILE 5 8.191 -12.710 -5.375 32 2HG1 ILE 5 1HG1 ILE 5 6.683 -12.525 -4.484 33 1HG2 ILE 5 1HG2 ILE 5 4.724 -12.594 -7.110 34 2HG2 ILE 5 2HG2 ILE 5 4.725 -10.839 -6.922 35 3HG2 ILE 5 3HG2 ILE 5 4.715 -11.879 -5.498 36 1HD1 ILE 5 1HD1 ILE 5 7.597 -14.777 -6.052 37 2HD1 ILE 5 2HD1 ILE 5 6.066 -14.176 -6.691 38 3HD1 ILE 5 3HD1 ILE 5 6.187 -14.659 -5.000 39 H THR 6 H THR 6 5.037 -11.338 -9.111 40 HA THR 6 HA THR 6 6.351 -8.884 -10.178 41 HB THR 6 HB THR 6 5.020 -9.365 -12.356 42 HG1 THR 6 HG1 THR 6 3.916 -11.139 -12.155 43 1HG2 THR 6 1HG2 THR 6 7.636 -10.199 -11.435 44 2HG2 THR 6 2HG2 THR 6 7.158 -9.576 -13.013 45 3HG2 THR 6 3HG2 THR 6 7.030 -11.300 -12.672 46 H VAL 7 H VAL 7 5.106 -7.149 -9.727 47 HA VAL 7 HA VAL 7 2.246 -7.560 -9.005 48 HB VAL 7 HB VAL 7 4.121 -5.202 -8.615 49 1HG1 VAL 7 1HG1 VAL 7 1.718 -4.549 -8.982 50 2HG1 VAL 7 2HG1 VAL 7 2.325 -4.142 -7.378 51 3HG1 VAL 7 3HG1 VAL 7 1.286 -5.549 -7.597 52 1HG2 VAL 7 1HG2 VAL 7 3.060 -7.401 -6.846 53 2HG2 VAL 7 2HG2 VAL 7 3.551 -5.855 -6.154 54 3HG2 VAL 7 3HG2 VAL 7 4.719 -6.839 -7.034 55 H ASN 8 H ASN 8 0.697 -7.043 -10.486 56 HA ASN 8 HA ASN 8 1.471 -5.650 -12.965 57 1HB ASN 8 2HB ASN 8 -0.106 -7.708 -12.768 58 2HB ASN 8 1HB ASN 8 -1.329 -6.536 -12.277 59 1HD2 ASN 8 1HD2 ASN 8 0.663 -7.624 -14.997 60 2HD2 ASN 8 2HD2 ASN 8 -0.125 -6.690 -16.176 61 H CYS 9 H CYS 9 0.912 -3.577 -13.488 62 HA CYS 9 HA CYS 9 0.035 -1.763 -11.417 63 1HB CYS 9 2HB CYS 9 1.564 -1.171 -13.344 64 2HB CYS 9 1HB CYS 9 0.158 -1.245 -14.403 65 HA PRO 10 HA PRO 10 -4.307 -2.493 -12.177 66 1HB PRO 10 2HB PRO 10 -5.177 -0.882 -10.125 67 2HB PRO 10 1HB PRO 10 -4.586 -2.537 -9.897 68 1HG PRO 10 2HG PRO 10 -3.232 0.042 -9.265 69 2HG PRO 10 1HG PRO 10 -3.003 -1.554 -8.534 70 1HD PRO 10 2HD PRO 10 -1.301 -0.343 -10.446 71 2HD PRO 10 1HD PRO 10 -1.266 -2.046 -9.943 72 H THR 11 H THR 11 -2.578 0.453 -12.553 73 HA THR 11 HA THR 11 -4.955 2.061 -13.236 74 HB THR 11 HB THR 11 -1.990 2.697 -13.361 75 HG1 THR 11 HG1 THR 11 -2.266 3.198 -11.361 76 1HG2 THR 11 1HG2 THR 11 -4.226 4.709 -13.494 77 2HG2 THR 11 2HG2 THR 11 -3.630 3.937 -14.961 78 3HG2 THR 11 3HG2 THR 11 -2.538 4.900 -13.968 79 H CYS 12 H CYS 12 -1.968 1.034 -14.958 80 HA CYS 12 HA CYS 12 -3.413 1.427 -17.534 81 1HB CYS 12 2HB CYS 12 -1.229 1.443 -18.584 82 2HB CYS 12 1HB CYS 12 -1.185 2.526 -17.194 83 H GLY 13 H GLY 13 -1.965 -1.082 -15.531 84 1HA GLY 13 2HA GLY 13 -2.480 -3.415 -15.719 85 2HA GLY 13 1HA GLY 13 -3.087 -3.128 -17.351 86 H LYS 14 H LYS 14 -0.052 -3.105 -15.471 87 HA LYS 14 HA LYS 14 1.339 -4.309 -17.815 88 1HB LYS 14 2HB LYS 14 1.593 -1.639 -17.288 89 2HB LYS 14 1HB LYS 14 2.903 -2.300 -16.310 90 1HG LYS 14 2HG LYS 14 3.330 -3.713 -18.552 91 2HG LYS 14 1HG LYS 14 2.552 -2.302 -19.270 92 1HD LYS 14 2HD LYS 14 4.244 -1.042 -17.604 93 2HD LYS 14 1HD LYS 14 5.177 -2.511 -17.886 94 1HE LYS 14 2HE LYS 14 4.771 -2.140 -20.375 95 2HE LYS 14 1HE LYS 14 4.169 -0.542 -19.945 96 1HZ LYS 14 1HZ LYS 14 6.785 -1.422 -18.929 97 2HZ LYS 14 2HZ LYS 14 6.222 0.151 -19.226 98 3HZ LYS 14 3HZ LYS 14 6.661 -0.863 -20.522 99 H THR 15 H THR 15 2.751 -5.910 -17.212 100 HA THR 15 HA THR 15 2.823 -6.728 -14.415 101 HB THR 15 HB THR 15 4.449 -7.846 -16.719 102 HG1 THR 15 HG1 THR 15 2.581 -8.403 -17.468 103 1HG2 THR 15 1HG2 THR 15 3.490 -9.067 -14.113 104 2HG2 THR 15 2HG2 THR 15 5.148 -8.591 -14.478 105 3HG2 THR 15 3HG2 THR 15 4.395 -9.913 -15.370 106 H VAL 16 H VAL 16 4.090 -5.605 -13.027 107 HA VAL 16 HA VAL 16 6.782 -4.685 -13.945 108 HB VAL 16 HB VAL 16 5.170 -3.842 -11.512 109 1HG1 VAL 16 1HG1 VAL 16 7.471 -3.518 -11.012 110 2HG1 VAL 16 2HG1 VAL 16 6.907 -1.946 -11.578 111 3HG1 VAL 16 3HG1 VAL 16 7.836 -2.990 -12.654 112 1HG2 VAL 16 1HG2 VAL 16 5.073 -1.656 -12.861 113 2HG2 VAL 16 2HG2 VAL 16 4.056 -2.976 -13.438 114 3HG2 VAL 16 3HG2 VAL 16 5.580 -2.617 -14.250 115 H VAL 17 H VAL 17 8.550 -5.727 -13.125 116 HA VAL 17 HA VAL 17 8.341 -8.105 -11.598 117 HB VAL 17 HB VAL 17 10.296 -7.450 -13.034 118 1HG1 VAL 17 1HG1 VAL 17 11.288 -5.890 -10.652 119 2HG1 VAL 17 2HG1 VAL 17 10.371 -5.101 -11.935 120 3HG1 VAL 17 3HG1 VAL 17 11.904 -5.889 -12.304 121 1HG2 VAL 17 1HG2 VAL 17 10.387 -9.299 -11.350 122 2HG2 VAL 17 2HG2 VAL 17 11.017 -8.149 -10.171 123 3HG2 VAL 17 3HG2 VAL 17 11.955 -8.534 -11.613 124 H TRP 18 H TRP 18 8.323 -8.533 -9.444 125 HA TRP 18 HA TRP 18 8.383 -6.211 -7.562 126 1HB TRP 18 2HB TRP 18 6.262 -7.508 -7.636 127 2HB TRP 18 1HB TRP 18 7.151 -8.966 -7.202 128 HD1 TRP 18 HD1 TRP 18 7.528 -9.410 -4.711 129 HE1 TRP 18 HE1 TRP 18 7.148 -8.078 -2.537 130 HE3 TRP 18 HE3 TRP 18 6.260 -4.866 -6.668 131 HZ2 TRP 18 HZ2 TRP 18 6.407 -5.435 -1.736 132 HZ3 TRP 18 HZ3 TRP 18 5.723 -2.962 -5.177 133 HH2 TRP 18 HH2 TRP 18 5.793 -3.239 -2.716 134 H GLY 19 H GLY 19 9.519 -6.500 -5.527 135 1HA GLY 19 2HA GLY 19 10.945 -7.874 -4.059 136 2HA GLY 19 1HA GLY 19 11.488 -8.751 -5.489 137 H GLU 20 H GLU 20 13.662 -8.110 -4.492 138 HA GLU 20 HA GLU 20 14.422 -5.287 -4.840 139 1HB GLU 20 2HB GLU 20 15.379 -7.449 -3.285 140 2HB GLU 20 1HB GLU 20 16.674 -7.050 -4.414 141 1HG GLU 20 2HG GLU 20 17.195 -5.414 -2.924 142 2HG GLU 20 1HG GLU 20 15.830 -4.552 -3.634 143 H ILE 21 H ILE 21 14.393 -4.817 -7.040 144 HA ILE 21 HA ILE 21 16.625 -5.713 -8.628 145 HB ILE 21 HB ILE 21 15.338 -7.718 -8.986 146 1HG1 ILE 21 2HG1 ILE 21 14.696 -6.081 -11.430 147 2HG1 ILE 21 1HG1 ILE 21 16.375 -6.382 -10.983 148 1HG2 ILE 21 1HG2 ILE 21 13.141 -6.635 -8.288 149 2HG2 ILE 21 2HG2 ILE 21 13.036 -7.741 -9.658 150 3HG2 ILE 21 3HG2 ILE 21 13.032 -5.999 -9.928 151 1HD1 ILE 21 1HD1 ILE 21 15.863 -8.837 -10.925 152 2HD1 ILE 21 2HD1 ILE 21 15.663 -8.122 -12.526 153 3HD1 ILE 21 3HD1 ILE 21 14.248 -8.472 -11.533 154 H SER 22 H SER 22 13.348 -4.299 -8.798 155 HA SER 22 HA SER 22 14.389 -2.322 -10.781 156 1HB SER 22 2HB SER 22 11.993 -1.895 -11.295 157 2HB SER 22 1HB SER 22 12.429 -3.581 -11.544 158 HG SER 22 HG SER 22 10.454 -2.811 -10.166 159 HA PRO 23 HA PRO 23 13.965 0.947 -7.860 160 1HB PRO 23 2HB PRO 23 13.357 3.025 -9.558 161 2HB PRO 23 1HB PRO 23 14.975 2.316 -9.416 162 1HG PRO 23 2HG PRO 23 12.966 1.988 -11.597 163 2HG PRO 23 1HG PRO 23 14.732 1.867 -11.670 164 1HD PRO 23 2HD PRO 23 12.927 -0.308 -11.608 165 2HD PRO 23 1HD PRO 23 14.680 -0.401 -11.336 166 H PHE 24 H PHE 24 11.297 0.481 -10.162 167 HA PHE 24 HA PHE 24 9.411 1.618 -8.138 168 1HB PHE 24 2HB PHE 24 9.760 2.438 -10.761 169 2HB PHE 24 1HB PHE 24 8.387 1.340 -10.882 170 HD1 PHE 24 HD1 PHE 24 6.239 2.096 -10.313 171 HD2 PHE 24 HD2 PHE 24 9.678 4.193 -8.821 172 HE1 PHE 24 HE1 PHE 24 4.760 3.839 -9.353 173 HE2 PHE 24 HE2 PHE 24 8.198 5.935 -7.861 174 HZ PHE 24 HZ PHE 24 5.740 5.758 -8.125 175 H ARG 25 H ARG 25 9.669 -0.675 -7.263 176 HA ARG 25 HA ARG 25 8.758 -2.980 -8.647 177 1HB ARG 25 2HB ARG 25 8.955 -2.231 -5.751 178 2HB ARG 25 1HB ARG 25 8.085 -3.697 -6.195 179 1HG ARG 25 2HG ARG 25 10.143 -4.662 -6.126 180 2HG ARG 25 1HG ARG 25 10.328 -3.951 -7.729 181 1HD ARG 25 2HD ARG 25 12.255 -3.400 -6.274 182 2HD ARG 25 1HD ARG 25 11.362 -1.950 -6.738 183 HE ARG 25 HE ARG 25 10.596 -1.738 -4.477 184 1HH1 ARG 25 1HH2 ARG 25 10.030 -4.569 -3.816 185 2HH1 ARG 25 2HH2 ARG 25 11.289 -4.956 -2.691 186 1HH2 ARG 25 2HH1 ARG 25 13.261 -2.236 -3.564 187 2HH2 ARG 25 1HH1 ARG 25 13.123 -3.632 -2.547 188 HA PRO 26 HA PRO 26 4.337 -2.056 -7.051 189 1HB PRO 26 2HB PRO 26 3.905 0.355 -5.790 190 2HB PRO 26 1HB PRO 26 4.336 -1.134 -4.930 191 1HG PRO 26 2HG PRO 26 6.035 1.242 -5.541 192 2HG PRO 26 1HG PRO 26 6.164 0.084 -4.207 193 1HD PRO 26 2HD PRO 26 7.774 0.103 -6.521 194 2HD PRO 26 1HD PRO 26 7.624 -1.241 -5.371 195 H PHE 27 H PHE 27 3.161 -1.534 -8.867 196 HA PHE 27 HA PHE 27 2.353 -0.347 -10.725 197 1HB PHE 27 2HB PHE 27 3.512 1.979 -9.158 198 2HB PHE 27 1HB PHE 27 2.682 2.180 -10.699 199 HD1 PHE 27 HD1 PHE 27 0.317 2.182 -10.823 200 HD2 PHE 27 HD2 PHE 27 2.266 0.852 -7.234 201 HE1 PHE 27 HE1 PHE 27 -1.869 2.122 -9.657 202 HE2 PHE 27 HE2 PHE 27 0.078 0.792 -6.069 203 HZ PHE 27 HZ PHE 27 -1.989 1.428 -7.280 204 H CYS 28 H CYS 28 3.319 1.174 -12.589 205 HA CYS 28 HA CYS 28 6.093 0.182 -13.063 206 1HB CYS 28 2HB CYS 28 5.496 1.014 -15.486 207 2HB CYS 28 1HB CYS 28 4.853 -0.518 -14.901 208 H SER 29 H SER 29 4.176 3.161 -12.930 209 HA SER 29 HA SER 29 6.730 4.683 -12.869 210 1HB SER 29 2HB SER 29 4.673 4.829 -14.967 211 2HB SER 29 1HB SER 29 5.087 6.394 -14.275 212 HG SER 29 HG SER 29 6.458 5.803 -16.022 213 H LYS 30 H LYS 30 6.357 6.961 -12.090 214 HA LYS 30 HA LYS 30 4.855 6.991 -9.657 215 1HB LYS 30 2HB LYS 30 6.843 8.439 -10.140 216 2HB LYS 30 1HB LYS 30 5.844 9.377 -11.250 217 1HG LYS 30 2HG LYS 30 5.727 10.596 -9.232 218 2HG LYS 30 1HG LYS 30 4.232 9.662 -9.241 219 1HD LYS 30 2HD LYS 30 5.765 7.870 -7.995 220 2HD LYS 30 1HD LYS 30 6.675 9.315 -7.551 221 1HE LYS 30 2HE LYS 30 5.169 9.622 -5.898 222 2HE LYS 30 1HE LYS 30 4.004 10.042 -7.155 223 1HZ LYS 30 1HZ LYS 30 4.501 7.214 -6.479 224 2HZ LYS 30 2HZ LYS 30 3.120 7.927 -7.166 225 3HZ LYS 30 3HZ LYS 30 3.461 8.146 -5.517 226 H ARG 31 H ARG 31 4.135 8.313 -12.894 227 HA ARG 31 HA ARG 31 1.732 9.688 -12.196 228 1HB ARG 31 2HB ARG 31 3.061 9.791 -14.401 229 2HB ARG 31 1HB ARG 31 2.183 8.329 -14.855 230 1HG ARG 31 2HG ARG 31 0.737 9.929 -15.695 231 2HG ARG 31 1HG ARG 31 0.085 9.761 -14.065 232 1HD ARG 31 2HD ARG 31 1.595 11.661 -13.359 233 2HD ARG 31 1HD ARG 31 1.987 11.897 -15.063 234 HE ARG 31 HE ARG 31 -0.458 12.366 -15.422 235 1HH1 ARG 31 1HH2 ARG 31 -1.483 11.419 -12.786 236 2HH1 ARG 31 2HH2 ARG 31 -1.672 12.898 -11.906 237 1HH2 ARG 31 2HH1 ARG 31 0.333 14.741 -14.063 238 2HH2 ARG 31 1HH1 ARG 31 -0.640 14.785 -12.631 239 H CYS 32 H CYS 32 2.298 6.305 -13.185 240 HA CYS 32 HA CYS 32 -0.452 5.544 -13.378 241 1HB CYS 32 2HB CYS 32 2.138 4.098 -13.024 242 2HB CYS 32 1HB CYS 32 0.652 3.215 -12.674 243 H GLN 33 H GLN 33 1.845 5.309 -10.631 244 HA GLN 33 HA GLN 33 -0.080 4.269 -8.760 245 1HB GLN 33 2HB GLN 33 2.499 4.353 -8.544 246 2HB GLN 33 1HB GLN 33 2.267 6.014 -7.995 247 1HG GLN 33 2HG GLN 33 0.913 5.299 -6.139 248 2HG GLN 33 1HG GLN 33 0.836 3.648 -6.755 249 1HE2 GLN 33 1HE2 GLN 33 2.852 5.957 -5.018 250 2HE2 GLN 33 2HE2 GLN 33 4.094 4.866 -4.631 251 H LEU 34 H LEU 34 0.807 7.527 -9.791 252 HA LEU 34 HA LEU 34 -0.595 8.986 -7.756 253 1HB LEU 34 2HB LEU 34 1.070 9.670 -9.816 254 2HB LEU 34 1HB LEU 34 -0.485 10.169 -10.476 255 HG LEU 34 HG LEU 34 -0.919 11.497 -8.429 256 1HD1 LEU 34 1HD1 LEU 34 1.731 11.627 -7.365 257 2HD1 LEU 34 2HD1 LEU 34 1.264 9.927 -7.433 258 3HD1 LEU 34 3HD1 LEU 34 0.263 11.083 -6.555 259 1HD2 LEU 34 1HD2 LEU 34 0.167 12.569 -10.359 260 2HD2 LEU 34 2HD2 LEU 34 1.748 12.064 -9.764 261 3HD2 LEU 34 3HD2 LEU 34 0.797 13.238 -8.855 262 H ILE 35 H ILE 35 -1.553 8.584 -11.191 263 HA ILE 35 HA ILE 35 -4.221 9.398 -10.975 264 HB ILE 35 HB ILE 35 -3.099 7.205 -12.750 265 1HG1 ILE 35 2HG1 ILE 35 -3.657 10.065 -13.532 266 2HG1 ILE 35 1HG1 ILE 35 -2.125 9.629 -12.776 267 1HG2 ILE 35 1HG2 ILE 35 -5.068 8.115 -14.220 268 2HG2 ILE 35 2HG2 ILE 35 -5.724 8.675 -12.682 269 3HG2 ILE 35 3HG2 ILE 35 -5.422 6.957 -12.938 270 1HD1 ILE 35 1HD1 ILE 35 -3.265 8.428 -15.316 271 2HD1 ILE 35 2HD1 ILE 35 -1.769 7.912 -14.538 272 3HD1 ILE 35 3HD1 ILE 35 -1.898 9.536 -15.212 273 H ASP 36 H ASP 36 -2.817 6.311 -9.991 274 HA ASP 36 HA ASP 36 -5.124 4.705 -9.814 275 1HB ASP 36 2HB ASP 36 -2.660 4.103 -9.299 276 2HB ASP 36 1HB ASP 36 -2.996 4.696 -7.672 277 H LEU 37 H LEU 37 -3.888 7.094 -7.451 278 HA LEU 37 HA LEU 37 -5.929 6.613 -5.474 279 1HB LEU 37 2HB LEU 37 -4.009 8.850 -6.041 280 2HB LEU 37 1HB LEU 37 -5.301 9.105 -4.872 281 HG LEU 37 HG LEU 37 -3.742 6.580 -4.621 282 1HD1 LEU 37 1HD1 LEU 37 -1.995 8.281 -5.084 283 2HD1 LEU 37 2HD1 LEU 37 -1.924 7.713 -3.415 284 3HD1 LEU 37 3HD1 LEU 37 -2.641 9.281 -3.783 285 1HD2 LEU 37 1HD2 LEU 37 -5.633 7.258 -3.111 286 2HD2 LEU 37 2HD2 LEU 37 -4.672 8.644 -2.598 287 3HD2 LEU 37 3HD2 LEU 37 -4.114 7.008 -2.250 288 H GLY 38 H GLY 38 -5.585 9.312 -7.818 289 1HA GLY 38 2HA GLY 38 -7.479 9.906 -9.289 290 2HA GLY 38 1HA GLY 38 -8.571 9.384 -8.011 291 H GLU 39 H GLU 39 -5.752 11.323 -7.213 292 HA GLU 39 HA GLU 39 -7.548 13.693 -6.824 293 1HB GLU 39 2HB GLU 39 -5.399 12.561 -5.016 294 2HB GLU 39 1HB GLU 39 -5.991 14.214 -4.851 295 1HG GLU 39 2HG GLU 39 -7.568 13.303 -3.496 296 2HG GLU 39 1HG GLU 39 -8.341 12.795 -4.997 297 H TRP 40 H TRP 40 -5.942 13.173 -9.159 298 HA TRP 40 HA TRP 40 -4.049 15.474 -8.989 299 1HB TRP 40 2HB TRP 40 -3.299 13.101 -10.659 300 2HB TRP 40 1HB TRP 40 -2.258 14.302 -9.894 301 HD1 TRP 40 HD1 TRP 40 -3.875 10.975 -9.343 302 HE1 TRP 40 HE1 TRP 40 -3.243 10.068 -7.021 303 HE3 TRP 40 HE3 TRP 40 -1.675 15.120 -7.335 304 HZ2 TRP 40 HZ2 TRP 40 -1.988 10.962 -4.632 305 HZ3 TRP 40 HZ3 TRP 40 -0.766 15.064 -5.028 306 HH2 TRP 40 HH2 TRP 40 -0.918 12.992 -3.672 307 H ALA 41 H ALA 41 -3.417 16.187 -11.285 308 HA ALA 41 HA ALA 41 -5.867 16.203 -12.956 309 1HB ALA 41 1HB ALA 41 -3.387 17.908 -12.810 310 2HB ALA 41 2HB ALA 41 -5.073 18.399 -12.663 311 3HB ALA 41 3HB ALA 41 -4.418 17.960 -14.238 312 H ALA 42 H ALA 42 -5.689 14.083 -13.875 313 HA ALA 42 HA ALA 42 -3.335 13.074 -15.170 314 1HB ALA 42 1HB ALA 42 -5.709 11.970 -14.486 315 2HB ALA 42 2HB ALA 42 -4.625 11.244 -15.672 316 3HB ALA 42 3HB ALA 42 -5.986 12.228 -16.208 317 H GLU 43 H GLU 43 -6.327 14.400 -16.597 318 HA GLU 43 HA GLU 43 -4.689 15.475 -18.843 319 1HB GLU 43 2HB GLU 43 -5.722 13.386 -19.628 320 2HB GLU 43 1HB GLU 43 -7.310 13.968 -19.125 321 1HG GLU 43 2HG GLU 43 -7.391 15.599 -20.808 322 2HG GLU 43 1HG GLU 43 -5.638 15.619 -21.004 323 H GLU 44 H GLU 44 -5.031 17.621 -18.958 324 HA GLU 44 HA GLU 44 -7.387 18.814 -17.643 325 1HB GLU 44 2HB GLU 44 -4.843 19.944 -18.817 326 2HB GLU 44 1HB GLU 44 -6.166 20.980 -18.280 327 1HG GLU 44 2HG GLU 44 -4.955 20.872 -16.314 328 2HG GLU 44 1HG GLU 44 -5.987 19.461 -16.091 329 H LYS 45 H LYS 45 -5.954 18.622 -20.891 330 HA LYS 45 HA LYS 45 -8.574 19.540 -22.007 331 1HB LYS 45 2HB LYS 45 -6.369 21.109 -22.103 332 2HB LYS 45 1HB LYS 45 -6.108 20.155 -23.562 333 1HG LYS 45 2HG LYS 45 -8.008 20.981 -24.604 334 2HG LYS 45 1HG LYS 45 -8.837 21.284 -23.077 335 1HD LYS 45 2HD LYS 45 -6.353 22.853 -23.700 336 2HD LYS 45 1HD LYS 45 -7.861 23.306 -24.493 337 1HE LYS 45 2HE LYS 45 -8.673 24.229 -22.601 338 2HE LYS 45 1HE LYS 45 -8.269 22.801 -21.657 339 1HZ LYS 45 1HZ LYS 45 -5.956 23.602 -21.581 340 2HZ LYS 45 2HZ LYS 45 -7.046 24.684 -20.843 341 3HZ LYS 45 3HZ LYS 45 -6.432 25.018 -22.390 342 H ARG 46 H ARG 46 -9.189 18.497 -23.987 343 HA ARG 46 HA ARG 46 -7.653 15.996 -24.581 344 1HB ARG 46 2HB ARG 46 -10.436 16.497 -24.124 345 2HB ARG 46 1HB ARG 46 -10.257 15.985 -25.800 346 1HG ARG 46 2HG ARG 46 -8.761 14.440 -23.720 347 2HG ARG 46 1HG ARG 46 -10.508 14.222 -23.796 348 1HD ARG 46 2HD ARG 46 -10.170 12.769 -25.481 349 2HD ARG 46 1HD ARG 46 -9.659 14.134 -26.473 350 HE ARG 46 HE ARG 46 -7.881 12.192 -25.143 351 1HH1 ARG 46 1HH2 ARG 46 -7.780 13.180 -28.038 352 2HH1 ARG 46 2HH2 ARG 46 -6.368 14.180 -27.995 353 1HH2 ARG 46 2HH1 ARG 46 -6.273 14.337 -24.527 354 2HH2 ARG 46 1HH1 ARG 46 -5.514 14.840 -25.999 355 H ILE 47 H ILE 47 -6.372 17.900 -25.806 356 HA ILE 47 HA ILE 47 -7.489 18.061 -28.576 357 HB ILE 47 HB ILE 47 -7.453 20.251 -27.543 358 1HG1 ILE 47 2HG1 ILE 47 -5.099 20.792 -29.121 359 2HG1 ILE 47 1HG1 ILE 47 -6.099 19.581 -29.928 360 1HG2 ILE 47 1HG2 ILE 47 -4.724 19.406 -26.695 361 2HG2 ILE 47 2HG2 ILE 47 -5.941 20.324 -25.819 362 3HG2 ILE 47 3HG2 ILE 47 -4.971 21.110 -27.065 363 1HD1 ILE 47 1HD1 ILE 47 -6.764 22.406 -29.189 364 2HD1 ILE 47 2HD1 ILE 47 -8.061 21.213 -29.212 365 3HD1 ILE 47 3HD1 ILE 47 -7.126 21.527 -30.674 366 HA PRO 48 HA PRO 48 -3.744 15.706 -29.381 367 1HB PRO 48 2HB PRO 48 -4.583 14.858 -31.856 368 2HB PRO 48 1HB PRO 48 -5.051 14.074 -30.337 369 1HG PRO 48 2HG PRO 48 -6.669 15.837 -32.114 370 2HG PRO 48 1HG PRO 48 -7.206 14.581 -30.988 371 1HD PRO 48 2HD PRO 48 -7.292 17.374 -30.518 372 2HD PRO 48 1HD PRO 48 -7.516 16.099 -29.300 373 H SER 49 H SER 49 -2.611 17.792 -29.511 374 HA SER 49 HA SER 49 -1.449 18.276 -32.092 375 1HB SER 49 2HB SER 49 -2.211 20.673 -32.321 376 2HB SER 49 1HB SER 49 -3.484 19.493 -32.614 377 HG SER 49 HG SER 49 -3.760 21.426 -31.062 378 H SER 50 H SER 50 -2.248 19.936 -29.034 379 HA SER 50 HA SER 50 0.651 20.144 -28.439 380 1HB SER 50 2HB SER 50 -1.272 22.451 -28.686 381 2HB SER 50 1HB SER 50 0.091 22.546 -27.576 382 HG SER 50 HG SER 50 0.832 23.308 -29.497 383 H GLY 51 H GLY 51 0.335 18.593 -26.810 384 1HA GLY 51 2HA GLY 51 0.170 18.384 -24.392 385 2HA GLY 51 1HA GLY 51 -1.131 19.576 -24.408 386 H ASP 52 H ASP 52 -0.396 16.377 -25.820 387 HA ASP 52 HA ASP 52 -3.276 15.651 -25.509 388 1HB ASP 52 2HB ASP 52 -1.905 15.522 -27.772 389 2HB ASP 52 1HB ASP 52 -1.316 14.008 -27.084 390 H LEU 53 H LEU 53 -3.743 14.319 -23.821 391 HA LEU 53 HA LEU 53 -1.592 12.485 -22.835 392 1HB LEU 53 2HB LEU 53 -3.482 14.285 -21.373 393 2HB LEU 53 1HB LEU 53 -3.050 12.749 -20.620 394 HG LEU 53 HG LEU 53 -0.669 13.929 -21.695 395 1HD1 LEU 53 1HD1 LEU 53 -0.622 16.089 -20.904 396 2HD1 LEU 53 2HD1 LEU 53 -1.766 15.753 -19.604 397 3HD1 LEU 53 3HD1 LEU 53 -2.346 15.977 -21.254 398 1HD2 LEU 53 1HD2 LEU 53 -1.008 12.314 -19.749 399 2HD2 LEU 53 2HD2 LEU 53 -1.515 13.707 -18.793 400 3HD2 LEU 53 3HD2 LEU 53 0.120 13.635 -19.447 401 H SER 54 H SER 54 -2.886 11.268 -24.687 402 HA SER 54 HA SER 54 -5.168 9.791 -23.431 403 1HB SER 54 2HB SER 54 -4.775 10.887 -26.100 404 2HB SER 54 1HB SER 54 -5.103 9.158 -26.167 405 HG SER 54 HG SER 54 -7.066 10.149 -26.106 406 H GLU 55 H GLU 55 -2.202 9.438 -25.374 407 HA GLU 55 HA GLU 55 -2.217 6.514 -25.164 408 1HB GLU 55 2HB GLU 55 -1.088 8.274 -26.930 409 2HB GLU 55 1HB GLU 55 0.295 7.891 -25.905 410 1HG GLU 55 2HG GLU 55 -1.492 5.764 -27.104 411 2HG GLU 55 1HG GLU 55 -0.041 6.356 -27.909 412 H SER 56 H SER 56 -1.651 5.549 -23.265 413 HA SER 56 HA SER 56 0.257 6.966 -21.458 414 1HB SER 56 2HB SER 56 -2.179 5.639 -20.951 415 2HB SER 56 1HB SER 56 -0.928 4.579 -20.313 416 HG SER 56 HG SER 56 -1.195 5.967 -18.695 417 H ASP 57 H ASP 57 -0.459 3.583 -22.479 418 HA ASP 57 HA ASP 57 2.484 3.057 -22.295 419 1HB ASP 57 2HB ASP 57 1.136 1.836 -20.588 420 2HB ASP 57 1HB ASP 57 0.230 1.066 -21.891 421 H ASP 58 H ASP 58 3.407 2.665 -24.216 422 HA ASP 58 HA ASP 58 1.850 2.275 -26.631 423 1HB ASP 58 2HB ASP 58 4.494 3.029 -26.013 424 2HB ASP 58 1HB ASP 58 4.640 1.520 -26.913 425 H TRP 59 H TRP 59 1.078 0.378 -27.381 426 HA TRP 59 HA TRP 59 2.066 -2.152 -26.169 427 1HB TRP 59 2HB TRP 59 -0.411 -1.478 -27.775 428 2HB TRP 59 1HB TRP 59 0.019 -3.123 -27.310 429 HD1 TRP 59 HD1 TRP 59 -1.857 -0.216 -26.111 430 HE1 TRP 59 HE1 TRP 59 -2.421 -0.431 -23.605 431 HE3 TRP 59 HE3 TRP 59 1.259 -4.067 -24.808 432 HZ2 TRP 59 HZ2 TRP 59 -1.664 -2.025 -21.351 433 HZ3 TRP 59 HZ3 TRP 59 1.309 -4.909 -22.480 434 HH2 TRP 59 HH2 TRP 59 -0.145 -3.892 -20.751 435 H SER 60 H SER 60 3.625 -3.198 -27.286 436 HA SER 60 HA SER 60 3.931 -2.731 -30.200 437 1HB SER 60 2HB SER 60 6.074 -4.053 -29.848 438 2HB SER 60 1HB SER 60 5.976 -2.530 -28.972 439 HG SER 60 HG SER 60 6.608 -4.647 -27.856 440 H GLU 61 H GLU 61 2.466 -5.048 -28.172 441 HA GLU 61 HA GLU 61 2.846 -7.235 -30.148 442 1HB GLU 61 2HB GLU 61 2.170 -8.750 -28.481 443 2HB GLU 61 1HB GLU 61 3.100 -7.551 -27.587 444 1HG GLU 61 2HG GLU 61 0.141 -7.123 -27.876 445 2HG GLU 61 1HG GLU 61 0.709 -8.338 -26.733 446 H GLU 62 H GLU 62 0.784 -8.588 -30.526 447 HA GLU 62 HA GLU 62 -1.419 -6.713 -31.239 448 1HB GLU 62 2HB GLU 62 -0.330 -9.221 -32.416 449 2HB GLU 62 1HB GLU 62 -2.074 -8.986 -32.527 450 1HG GLU 62 2HG GLU 62 -0.309 -6.676 -33.225 451 2HG GLU 62 1HG GLU 62 -0.432 -8.003 -34.381 452 HA PRO 63 HA PRO 63 -3.579 -8.697 -27.870 453 1HB PRO 63 2HB PRO 63 -5.805 -7.074 -28.058 454 2HB PRO 63 1HB PRO 63 -4.316 -6.614 -27.215 455 1HG PRO 63 2HG PRO 63 -5.323 -5.713 -29.881 456 2HG PRO 63 1HG PRO 63 -4.288 -4.858 -28.724 457 1HD PRO 63 2HD PRO 63 -3.392 -6.138 -31.058 458 2HD PRO 63 1HD PRO 63 -2.366 -5.663 -29.690 459 H LYS 64 H LYS 64 -4.567 -10.634 -28.228 460 HA LYS 64 HA LYS 64 -5.995 -12.265 -29.095 461 1HB LYS 64 2HB LYS 64 -7.460 -9.783 -29.327 462 2HB LYS 64 1HB LYS 64 -7.815 -10.814 -30.712 463 1HG LYS 64 2HG LYS 64 -8.472 -12.638 -29.275 464 2HG LYS 64 1HG LYS 64 -7.914 -11.774 -27.842 465 1HD LYS 64 2HD LYS 64 -9.599 -9.931 -28.572 466 2HD LYS 64 1HD LYS 64 -10.313 -11.197 -29.571 467 1HE LYS 64 2HE LYS 64 -10.451 -12.642 -27.505 468 2HE LYS 64 1HE LYS 64 -9.943 -11.241 -26.564 469 1HZ LYS 64 1HZ LYS 64 -12.495 -11.845 -27.152 470 2HZ LYS 64 2HZ LYS 64 -12.131 -10.727 -28.379 471 3HZ LYS 64 3HZ LYS 64 -11.947 -10.293 -26.747 472 H GLN 65 HN GLN 65 -3.619 -11.735 -30.434 473 HA GLN 65 HA GLN 65 -4.190 -12.774 -33.101 474 1HB GLN 65 2HB GLN 65 -4.126 -9.996 -32.884 475 2HB GLN 65 1HB GLN 65 -2.495 -10.406 -33.413 476 1HG GLN 65 2HG GLN 65 -4.206 -12.034 -34.951 477 2HG GLN 65 1HG GLN 65 -4.964 -10.442 -34.928 478 1HE2 GLN 65 1HE2 GLN 65 -1.475 -11.423 -34.968 479 2HE2 GLN 65 2HE2 GLN 65 -1.091 -10.510 -36.346 Start of MODEL 14 1 H MET 1 1H MET 1 16.558 -10.943 -8.476 2 HA MET 1 HA MET 1 17.118 -12.390 -6.634 3 1HB MET 1 2HB MET 1 18.678 -10.507 -7.562 4 2HB MET 1 1HB MET 1 18.369 -9.724 -6.010 5 1HG MET 1 2HG MET 1 19.622 -11.238 -4.858 6 2HG MET 1 1HG MET 1 19.037 -12.595 -5.819 7 1HE MET 1 1HE MET 1 21.721 -13.803 -7.290 8 2HE MET 1 2HE MET 1 20.758 -13.749 -5.818 9 3HE MET 1 3HE MET 1 22.423 -13.182 -5.789 10 H SER 2 H SER 2 16.720 -12.961 -4.535 11 HA SER 2 HA SER 2 15.770 -12.914 -2.397 12 1HB SER 2 2HB SER 2 17.615 -10.994 -2.376 13 2HB SER 2 1HB SER 2 16.205 -9.949 -2.237 14 HG SER 2 HG SER 2 17.013 -10.642 -0.196 15 H GLU 3 H GLU 3 13.663 -13.334 -3.329 16 HA GLU 3 HA GLU 3 11.358 -12.937 -3.464 17 1HB GLU 3 2HB GLU 3 11.859 -11.587 -1.320 18 2HB GLU 3 1HB GLU 3 11.847 -10.162 -2.358 19 1HG GLU 3 2HG GLU 3 9.557 -11.996 -2.740 20 2HG GLU 3 1HG GLU 3 9.618 -11.202 -1.167 21 H THR 4 H THR 4 10.989 -12.843 -5.655 22 HA THR 4 HA THR 4 11.182 -10.152 -6.930 23 HB THR 4 HB THR 4 11.803 -12.542 -8.618 24 HG1 THR 4 HG1 THR 4 13.559 -12.980 -7.585 25 1HG2 THR 4 1HG2 THR 4 13.373 -10.023 -8.666 26 2HG2 THR 4 2HG2 THR 4 11.671 -9.892 -9.109 27 3HG2 THR 4 3HG2 THR 4 12.733 -10.979 -10.003 28 H ILE 5 H ILE 5 8.794 -10.745 -6.039 29 HA ILE 5 HA ILE 5 7.224 -12.371 -7.921 30 HB ILE 5 HB ILE 5 5.284 -11.673 -6.576 31 1HG1 ILE 5 2HG1 ILE 5 6.567 -10.271 -4.443 32 2HG1 ILE 5 1HG1 ILE 5 6.994 -9.454 -5.946 33 1HG2 ILE 5 1HG2 ILE 5 6.399 -12.309 -4.235 34 2HG2 ILE 5 2HG2 ILE 5 7.768 -12.705 -5.273 35 3HG2 ILE 5 3HG2 ILE 5 6.214 -13.501 -5.520 36 1HD1 ILE 5 1HD1 ILE 5 4.970 -8.419 -5.462 37 2HD1 ILE 5 2HD1 ILE 5 4.292 -9.866 -4.715 38 3HD1 ILE 5 3HD1 ILE 5 4.416 -9.756 -6.471 39 H THR 6 H THR 6 5.714 -11.514 -9.459 40 HA THR 6 HA THR 6 6.310 -8.698 -10.242 41 HB THR 6 HB THR 6 5.272 -9.370 -12.441 42 HG1 THR 6 HG1 THR 6 4.322 -11.220 -12.542 43 1HG2 THR 6 1HG2 THR 6 7.767 -9.503 -11.808 44 2HG2 THR 6 2HG2 THR 6 7.242 -10.416 -13.222 45 3HG2 THR 6 3HG2 THR 6 7.511 -11.243 -11.687 46 H VAL 7 H VAL 7 4.812 -7.161 -9.905 47 HA VAL 7 HA VAL 7 2.001 -7.996 -9.327 48 HB VAL 7 HB VAL 7 3.185 -6.757 -7.515 49 1HG1 VAL 7 1HG1 VAL 7 4.488 -4.991 -8.001 50 2HG1 VAL 7 2HG1 VAL 7 3.086 -4.118 -8.620 51 3HG1 VAL 7 3HG1 VAL 7 4.043 -5.131 -9.700 52 1HG2 VAL 7 1HG2 VAL 7 1.278 -4.685 -8.240 53 2HG2 VAL 7 2HG2 VAL 7 1.187 -5.879 -6.945 54 3HG2 VAL 7 3HG2 VAL 7 0.627 -6.291 -8.566 55 H ASN 8 H ASN 8 0.322 -7.130 -10.567 56 HA ASN 8 HA ASN 8 1.137 -5.816 -13.078 57 1HB ASN 8 2HB ASN 8 -0.824 -7.673 -12.448 58 2HB ASN 8 1HB ASN 8 -1.739 -6.182 -12.675 59 1HD2 ASN 8 1HD2 ASN 8 -1.821 -5.263 -14.821 60 2HD2 ASN 8 2HD2 ASN 8 -1.169 -6.053 -16.174 61 H CYS 9 H CYS 9 0.743 -3.718 -13.596 62 HA CYS 9 HA CYS 9 0.083 -1.807 -11.543 63 1HB CYS 9 2HB CYS 9 1.541 -1.454 -13.631 64 2HB CYS 9 1HB CYS 9 0.031 -1.289 -14.525 65 HA PRO 10 HA PRO 10 -4.333 -2.284 -12.088 66 1HB PRO 10 2HB PRO 10 -4.998 -0.661 -9.970 67 2HB PRO 10 1HB PRO 10 -4.500 -2.352 -9.799 68 1HG PRO 10 2HG PRO 10 -2.960 0.126 -9.195 69 2HG PRO 10 1HG PRO 10 -2.793 -1.494 -8.503 70 1HD PRO 10 2HD PRO 10 -1.121 -0.347 -10.483 71 2HD PRO 10 1HD PRO 10 -1.161 -2.058 -10.007 72 H THR 11 H THR 11 -2.463 0.374 -12.881 73 HA THR 11 HA THR 11 -4.812 2.156 -13.332 74 HB THR 11 HB THR 11 -1.833 2.737 -13.427 75 HG1 THR 11 HG1 THR 11 -2.111 3.215 -11.419 76 1HG2 THR 11 1HG2 THR 11 -4.210 4.588 -13.784 77 2HG2 THR 11 2HG2 THR 11 -3.075 4.117 -15.048 78 3HG2 THR 11 3HG2 THR 11 -2.524 5.096 -13.688 79 H CYS 12 H CYS 12 -1.895 0.946 -15.049 80 HA CYS 12 HA CYS 12 -3.314 1.471 -17.626 81 1HB CYS 12 2HB CYS 12 -1.126 1.489 -18.674 82 2HB CYS 12 1HB CYS 12 -1.084 2.558 -17.273 83 H GLY 13 H GLY 13 -1.915 -1.081 -15.654 84 1HA GLY 13 2HA GLY 13 -2.441 -3.410 -15.901 85 2HA GLY 13 1HA GLY 13 -2.980 -3.091 -17.554 86 H LYS 14 H LYS 14 -0.089 -3.338 -15.513 87 HA LYS 14 HA LYS 14 1.429 -4.399 -17.824 88 1HB LYS 14 2HB LYS 14 1.610 -1.749 -17.367 89 2HB LYS 14 1HB LYS 14 2.823 -2.310 -16.219 90 1HG LYS 14 2HG LYS 14 3.860 -3.642 -18.097 91 2HG LYS 14 1HG LYS 14 2.740 -2.835 -19.200 92 1HD LYS 14 2HD LYS 14 3.626 -0.632 -18.433 93 2HD LYS 14 1HD LYS 14 4.808 -1.483 -17.435 94 1HE LYS 14 2HE LYS 14 4.956 -2.604 -20.049 95 2HE LYS 14 1HE LYS 14 4.957 -0.849 -20.234 96 1HZ LYS 14 1HZ LYS 14 6.676 -2.159 -18.218 97 2HZ LYS 14 2HZ LYS 14 6.851 -0.629 -18.933 98 3HZ LYS 14 3HZ LYS 14 7.181 -2.031 -19.832 99 H THR 15 H THR 15 2.903 -5.958 -17.157 100 HA THR 15 HA THR 15 2.869 -6.744 -14.342 101 HB THR 15 HB THR 15 4.625 -7.857 -16.553 102 HG1 THR 15 HG1 THR 15 2.848 -8.581 -17.364 103 1HG2 THR 15 1HG2 THR 15 3.589 -8.999 -13.942 104 2HG2 THR 15 2HG2 THR 15 5.259 -8.557 -14.300 105 3HG2 THR 15 3HG2 THR 15 4.504 -9.907 -15.148 106 H VAL 16 H VAL 16 4.031 -5.527 -12.941 107 HA VAL 16 HA VAL 16 6.754 -4.594 -13.755 108 HB VAL 16 HB VAL 16 5.056 -3.605 -11.442 109 1HG1 VAL 16 1HG1 VAL 16 7.768 -3.060 -12.449 110 2HG1 VAL 16 2HG1 VAL 16 7.068 -2.725 -10.865 111 3HG1 VAL 16 3HG1 VAL 16 6.799 -1.608 -12.203 112 1HG2 VAL 16 1HG2 VAL 16 3.968 -3.157 -13.630 113 2HG2 VAL 16 2HG2 VAL 16 5.452 -2.391 -14.197 114 3HG2 VAL 16 3HG2 VAL 16 4.537 -1.672 -12.873 115 H VAL 17 H VAL 17 8.475 -5.536 -12.754 116 HA VAL 17 HA VAL 17 8.102 -7.733 -10.934 117 HB VAL 17 HB VAL 17 10.022 -7.504 -12.533 118 1HG1 VAL 17 1HG1 VAL 17 11.404 -5.763 -10.525 119 2HG1 VAL 17 2HG1 VAL 17 10.329 -5.002 -11.697 120 3HG1 VAL 17 3HG1 VAL 17 11.713 -5.944 -12.251 121 1HG2 VAL 17 1HG2 VAL 17 11.630 -8.540 -11.057 122 2HG2 VAL 17 2HG2 VAL 17 10.022 -9.032 -10.524 123 3HG2 VAL 17 3HG2 VAL 17 10.898 -7.780 -9.644 124 H TRP 18 H TRP 18 8.099 -7.796 -8.752 125 HA TRP 18 HA TRP 18 8.685 -5.272 -7.253 126 1HB TRP 18 2HB TRP 18 6.326 -5.693 -7.101 127 2HB TRP 18 1HB TRP 18 6.583 -7.410 -6.800 128 HD1 TRP 18 HD1 TRP 18 7.294 -8.153 -4.371 129 HE1 TRP 18 HE1 TRP 18 7.269 -6.945 -2.096 130 HE3 TRP 18 HE3 TRP 18 6.608 -3.340 -5.934 131 HZ2 TRP 18 HZ2 TRP 18 6.997 -4.291 -1.075 132 HZ3 TRP 18 HZ3 TRP 18 6.469 -1.494 -4.288 133 HH2 TRP 18 HH2 TRP 18 6.661 -1.962 -1.862 134 H GLY 19 H GLY 19 9.681 -5.556 -5.141 135 1HA GLY 19 2HA GLY 19 10.488 -7.262 -3.447 136 2HA GLY 19 1HA GLY 19 11.070 -8.191 -4.827 137 H GLU 20 H GLU 20 13.249 -8.043 -4.965 138 HA GLU 20 HA GLU 20 14.504 -5.362 -4.535 139 1HB GLU 20 2HB GLU 20 15.365 -8.076 -3.540 140 2HB GLU 20 1HB GLU 20 16.546 -6.786 -3.772 141 1HG GLU 20 2HG GLU 20 15.981 -6.153 -1.664 142 2HG GLU 20 1HG GLU 20 14.537 -5.478 -2.418 143 H ILE 21 H ILE 21 14.434 -5.020 -6.830 144 HA ILE 21 HA ILE 21 16.719 -6.097 -8.255 145 HB ILE 21 HB ILE 21 15.320 -8.012 -8.621 146 1HG1 ILE 21 2HG1 ILE 21 14.865 -6.392 -11.122 147 2HG1 ILE 21 1HG1 ILE 21 16.497 -6.843 -10.629 148 1HG2 ILE 21 1HG2 ILE 21 13.191 -6.595 -8.061 149 2HG2 ILE 21 2HG2 ILE 21 13.043 -7.956 -9.170 150 3HG2 ILE 21 3HG2 ILE 21 13.135 -6.312 -9.800 151 1HD1 ILE 21 1HD1 ILE 21 16.086 -9.133 -10.895 152 2HD1 ILE 21 2HD1 ILE 21 15.158 -8.438 -12.224 153 3HD1 ILE 21 3HD1 ILE 21 14.341 -8.938 -10.744 154 H SER 22 H SER 22 13.567 -4.462 -8.663 155 HA SER 22 HA SER 22 14.887 -2.586 -10.586 156 1HB SER 22 2HB SER 22 12.100 -3.651 -10.334 157 2HB SER 22 1HB SER 22 12.320 -2.035 -10.999 158 HG SER 22 HG SER 22 12.659 -3.154 -12.766 159 HA PRO 23 HA PRO 23 14.264 0.739 -7.768 160 1HB PRO 23 2HB PRO 23 13.928 2.811 -9.545 161 2HB PRO 23 1HB PRO 23 15.491 2.046 -9.214 162 1HG PRO 23 2HG PRO 23 13.732 1.762 -11.605 163 2HG PRO 23 1HG PRO 23 15.488 1.570 -11.474 164 1HD PRO 23 2HD PRO 23 13.597 -0.532 -11.594 165 2HD PRO 23 1HD PRO 23 15.304 -0.689 -11.128 166 H PHE 24 H PHE 24 11.838 0.348 -10.337 167 HA PHE 24 HA PHE 24 9.819 1.708 -8.604 168 1HB PHE 24 2HB PHE 24 10.416 1.942 -11.395 169 2HB PHE 24 1HB PHE 24 8.811 1.230 -11.244 170 HD1 PHE 24 HD1 PHE 24 10.886 4.187 -10.569 171 HD2 PHE 24 HD2 PHE 24 6.988 2.436 -10.118 172 HE1 PHE 24 HE1 PHE 24 9.954 6.412 -9.990 173 HE2 PHE 24 HE2 PHE 24 6.056 4.661 -9.537 174 HZ PHE 24 HZ PHE 24 7.539 6.648 -9.475 175 H ARG 25 H ARG 25 9.965 -0.532 -7.481 176 HA ARG 25 HA ARG 25 8.905 -2.868 -8.759 177 1HB ARG 25 2HB ARG 25 8.804 -2.153 -5.814 178 2HB ARG 25 1HB ARG 25 8.574 -3.757 -6.498 179 1HG ARG 25 2HG ARG 25 10.797 -4.088 -6.762 180 2HG ARG 25 1HG ARG 25 11.054 -2.455 -7.383 181 1HD ARG 25 2HD ARG 25 10.508 -1.841 -4.821 182 2HD ARG 25 1HD ARG 25 11.170 -3.456 -4.578 183 HE ARG 25 HE ARG 25 12.861 -1.846 -6.306 184 1HH1 ARG 25 2HH1 ARG 25 12.370 -0.166 -3.819 185 2HH1 ARG 25 1HH1 ARG 25 13.676 -0.671 -2.797 186 1HH2 ARG 25 1HH2 ARG 25 14.390 -3.514 -4.678 187 2HH2 ARG 25 2HH2 ARG 25 14.827 -2.579 -3.285 188 HA PRO 26 HA PRO 26 4.646 -1.552 -7.010 189 1HB PRO 26 2HB PRO 26 4.407 0.981 -5.965 190 2HB PRO 26 1HB PRO 26 4.827 -0.441 -4.995 191 1HG PRO 26 2HG PRO 26 6.583 1.783 -5.924 192 2HG PRO 26 1HG PRO 26 6.752 0.738 -4.503 193 1HD PRO 26 2HD PRO 26 8.188 0.486 -6.925 194 2HD PRO 26 1HD PRO 26 8.092 -0.730 -5.635 195 H PHE 27 H PHE 27 3.505 -1.240 -8.884 196 HA PHE 27 HA PHE 27 2.596 -0.210 -10.779 197 1HB PHE 27 2HB PHE 27 3.675 2.258 -9.390 198 2HB PHE 27 1HB PHE 27 2.791 2.325 -10.911 199 HD1 PHE 27 HD1 PHE 27 0.422 2.142 -10.973 200 HD2 PHE 27 HD2 PHE 27 2.552 1.235 -7.354 201 HE1 PHE 27 HE1 PHE 27 -1.724 2.038 -9.735 202 HE2 PHE 27 HE2 PHE 27 0.405 1.130 -6.117 203 HZ PHE 27 HZ PHE 27 -1.733 1.532 -7.307 204 H CYS 28 H CYS 28 3.286 0.794 -12.857 205 HA CYS 28 HA CYS 28 6.076 0.070 -13.450 206 1HB CYS 28 2HB CYS 28 5.426 0.496 -15.806 207 2HB CYS 28 1HB CYS 28 4.314 -0.616 -15.009 208 H SER 29 H SER 29 4.128 3.016 -13.196 209 HA SER 29 HA SER 29 6.641 4.599 -13.429 210 1HB SER 29 2HB SER 29 5.482 6.268 -14.840 211 2HB SER 29 1HB SER 29 5.555 4.699 -15.635 212 HG SER 29 HG SER 29 3.463 5.619 -15.745 213 H LYS 30 H LYS 30 6.246 6.911 -12.656 214 HA LYS 30 HA LYS 30 4.995 6.865 -10.050 215 1HB LYS 30 2HB LYS 30 6.869 8.477 -11.341 216 2HB LYS 30 1HB LYS 30 5.478 9.540 -11.135 217 1HG LYS 30 2HG LYS 30 5.615 8.243 -8.693 218 2HG LYS 30 1HG LYS 30 7.313 8.451 -9.120 219 1HD LYS 30 2HD LYS 30 7.230 10.661 -8.694 220 2HD LYS 30 1HD LYS 30 5.810 10.864 -9.720 221 1HE LYS 30 2HE LYS 30 4.933 9.513 -7.375 222 2HE LYS 30 1HE LYS 30 5.962 10.841 -6.842 223 1HZ LYS 30 1HZ LYS 30 4.619 12.406 -7.889 224 2HZ LYS 30 2HZ LYS 30 3.501 11.318 -7.224 225 3HZ LYS 30 3HZ LYS 30 3.859 11.260 -8.881 226 H ARG 31 H ARG 31 4.069 8.196 -13.210 227 HA ARG 31 HA ARG 31 1.756 9.647 -12.353 228 1HB ARG 31 2HB ARG 31 2.983 8.854 -14.858 229 2HB ARG 31 1HB ARG 31 1.230 8.675 -14.943 230 1HG ARG 31 2HG ARG 31 2.416 11.174 -13.760 231 2HG ARG 31 1HG ARG 31 2.311 10.996 -15.513 232 1HD ARG 31 2HD ARG 31 0.173 11.680 -15.371 233 2HD ARG 31 1HD ARG 31 -0.189 10.155 -14.566 234 HE ARG 31 HE ARG 31 0.677 11.666 -12.473 235 1HH1 ARG 31 1HH2 ARG 31 -0.126 13.911 -14.520 236 2HH1 ARG 31 2HH2 ARG 31 -1.689 14.328 -13.899 237 1HH2 ARG 31 2HH1 ARG 31 -1.932 11.495 -11.889 238 2HH2 ARG 31 1HH1 ARG 31 -2.718 12.951 -12.402 239 H CYS 32 H CYS 32 2.157 6.258 -13.428 240 HA CYS 32 HA CYS 32 -0.603 5.553 -13.450 241 1HB CYS 32 2HB CYS 32 1.968 4.069 -13.265 242 2HB CYS 32 1HB CYS 32 0.531 3.215 -12.704 243 H GLN 33 H GLN 33 1.808 5.192 -10.808 244 HA GLN 33 HA GLN 33 -0.025 4.228 -8.838 245 1HB GLN 33 2HB GLN 33 2.516 4.264 -8.668 246 2HB GLN 33 1HB GLN 33 2.386 5.982 -8.291 247 1HG GLN 33 2HG GLN 33 0.851 5.392 -6.396 248 2HG GLN 33 1HG GLN 33 1.172 3.690 -6.722 249 1HE2 GLN 33 1HE2 GLN 33 2.693 6.724 -5.621 250 2HE2 GLN 33 2HE2 GLN 33 4.053 5.983 -4.925 251 H LEU 34 H LEU 34 0.807 7.496 -9.908 252 HA LEU 34 HA LEU 34 -0.517 8.946 -7.827 253 1HB LEU 34 2HB LEU 34 1.034 9.654 -9.947 254 2HB LEU 34 1HB LEU 34 -0.554 10.099 -10.569 255 HG LEU 34 HG LEU 34 -0.968 11.438 -8.529 256 1HD1 LEU 34 1HD1 LEU 34 0.304 10.418 -6.827 257 2HD1 LEU 34 2HD1 LEU 34 1.203 11.900 -7.155 258 3HD1 LEU 34 3HD1 LEU 34 1.758 10.363 -7.821 259 1HD2 LEU 34 1HD2 LEU 34 0.687 13.224 -9.016 260 2HD2 LEU 34 2HD2 LEU 34 0.024 12.526 -10.493 261 3HD2 LEU 34 3HD2 LEU 34 1.638 12.069 -9.949 262 H ILE 35 H ILE 35 -1.678 8.543 -11.202 263 HA ILE 35 HA ILE 35 -4.338 9.316 -10.816 264 HB ILE 35 HB ILE 35 -3.288 7.147 -12.662 265 1HG1 ILE 35 2HG1 ILE 35 -3.998 9.936 -13.508 266 2HG1 ILE 35 1HG1 ILE 35 -2.456 9.674 -12.694 267 1HG2 ILE 35 1HG2 ILE 35 -5.325 7.698 -14.007 268 2HG2 ILE 35 2HG2 ILE 35 -5.886 8.717 -12.682 269 3HG2 ILE 35 3HG2 ILE 35 -5.714 6.978 -12.446 270 1HD1 ILE 35 1HD1 ILE 35 -2.743 9.412 -15.361 271 2HD1 ILE 35 2HD1 ILE 35 -3.149 7.767 -14.872 272 3HD1 ILE 35 3HD1 ILE 35 -1.586 8.457 -14.435 273 H ASP 36 H ASP 36 -2.832 6.247 -9.934 274 HA ASP 36 HA ASP 36 -5.089 4.600 -9.623 275 1HB ASP 36 2HB ASP 36 -2.587 4.057 -9.244 276 2HB ASP 36 1HB ASP 36 -2.855 4.627 -7.596 277 H LEU 37 H LEU 37 -3.759 6.961 -7.266 278 HA LEU 37 HA LEU 37 -5.695 6.436 -5.208 279 1HB LEU 37 2HB LEU 37 -3.917 8.775 -5.865 280 2HB LEU 37 1HB LEU 37 -5.126 8.922 -4.594 281 HG LEU 37 HG LEU 37 -3.520 6.452 -4.459 282 1HD1 LEU 37 1HD1 LEU 37 -2.225 9.049 -4.783 283 2HD1 LEU 37 2HD1 LEU 37 -1.505 7.440 -4.736 284 3HD1 LEU 37 3HD1 LEU 37 -1.827 8.306 -3.234 285 1HD2 LEU 37 1HD2 LEU 37 -3.826 8.548 -2.319 286 2HD2 LEU 37 2HD2 LEU 37 -3.763 6.794 -2.152 287 3HD2 LEU 37 3HD2 LEU 37 -5.216 7.568 -2.783 288 H GLY 38 H GLY 38 -5.548 9.177 -7.523 289 1HA GLY 38 2HA GLY 38 -7.524 9.710 -8.911 290 2HA GLY 38 1HA GLY 38 -8.542 9.145 -7.590 291 H GLU 39 H GLU 39 -5.775 11.131 -6.801 292 HA GLU 39 HA GLU 39 -7.618 13.454 -6.368 293 1HB GLU 39 2HB GLU 39 -5.364 12.397 -4.641 294 2HB GLU 39 1HB GLU 39 -6.034 14.016 -4.441 295 1HG GLU 39 2HG GLU 39 -7.522 13.024 -3.048 296 2HG GLU 39 1HG GLU 39 -8.309 12.468 -4.526 297 H TRP 40 H TRP 40 -6.144 13.054 -8.770 298 HA TRP 40 HA TRP 40 -4.224 15.335 -8.606 299 1HB TRP 40 2HB TRP 40 -3.694 13.026 -10.459 300 2HB TRP 40 1HB TRP 40 -2.562 14.216 -9.815 301 HD1 TRP 40 HD1 TRP 40 -4.030 10.853 -9.144 302 HE1 TRP 40 HE1 TRP 40 -3.128 9.928 -6.920 303 HE3 TRP 40 HE3 TRP 40 -1.756 15.029 -7.301 304 HZ2 TRP 40 HZ2 TRP 40 -1.652 10.821 -4.664 305 HZ3 TRP 40 HZ3 TRP 40 -0.604 14.967 -5.106 306 HH2 TRP 40 HH2 TRP 40 -0.547 12.869 -3.783 307 H ALA 41 H ALA 41 -5.131 16.903 -9.830 308 HA ALA 41 HA ALA 41 -6.607 16.118 -12.311 309 1HB ALA 41 1HB ALA 41 -8.211 17.506 -11.542 310 2HB ALA 41 2HB ALA 41 -7.079 18.849 -11.691 311 3HB ALA 41 3HB ALA 41 -7.199 17.963 -10.172 312 H ALA 42 H ALA 42 -6.546 18.328 -13.824 313 HA ALA 42 HA ALA 42 -3.939 18.423 -14.964 314 1HB ALA 42 1HB ALA 42 -4.778 20.250 -16.330 315 2HB ALA 42 2HB ALA 42 -6.075 20.569 -15.179 316 3HB ALA 42 3HB ALA 42 -6.081 19.080 -16.124 317 H GLU 43 H GLU 43 -5.476 20.383 -12.482 318 HA GLU 43 HA GLU 43 -3.338 22.378 -12.377 319 1HB GLU 43 2HB GLU 43 -4.555 23.072 -10.244 320 2HB GLU 43 1HB GLU 43 -5.513 23.147 -11.722 321 1HG GLU 43 2HG GLU 43 -7.008 21.703 -10.858 322 2HG GLU 43 1HG GLU 43 -5.740 20.503 -10.614 323 H GLU 44 H GLU 44 -2.038 22.708 -10.379 324 HA GLU 44 HA GLU 44 -0.819 20.203 -9.504 325 1HB GLU 44 2HB GLU 44 -0.236 23.099 -9.271 326 2HB GLU 44 1HB GLU 44 0.329 22.105 -7.928 327 1HG GLU 44 2HG GLU 44 2.123 21.651 -9.233 328 2HG GLU 44 1HG GLU 44 1.040 20.591 -10.131 329 H LYS 45 H LYS 45 -1.956 22.947 -7.535 330 HA LYS 45 HA LYS 45 -3.481 21.105 -5.783 331 1HB LYS 45 2HB LYS 45 -0.977 21.501 -5.021 332 2HB LYS 45 1HB LYS 45 -1.606 23.055 -4.477 333 1HG LYS 45 2HG LYS 45 -2.214 21.960 -2.593 334 2HG LYS 45 1HG LYS 45 -3.525 21.290 -3.568 335 1HD LYS 45 2HD LYS 45 -1.209 19.746 -4.145 336 2HD LYS 45 1HD LYS 45 -1.281 19.920 -2.391 337 1HE LYS 45 2HE LYS 45 -2.754 18.194 -2.487 338 2HE LYS 45 1HE LYS 45 -3.914 19.417 -3.004 339 1HZ LYS 45 1HZ LYS 45 -2.258 17.670 -4.749 340 2HZ LYS 45 2HZ LYS 45 -3.214 18.952 -5.321 341 3HZ LYS 45 3HZ LYS 45 -3.941 17.621 -4.560 342 H ARG 46 H ARG 46 -5.388 22.171 -6.368 343 HA ARG 46 HA ARG 46 -7.039 23.838 -6.249 344 1HB ARG 46 2HB ARG 46 -5.517 24.220 -3.948 345 2HB ARG 46 1HB ARG 46 -5.494 25.807 -4.718 346 1HG ARG 46 2HG ARG 46 -7.901 25.903 -4.772 347 2HG ARG 46 1HG ARG 46 -8.037 24.217 -4.269 348 1HD ARG 46 2HD ARG 46 -6.975 26.532 -2.617 349 2HD ARG 46 1HD ARG 46 -8.460 25.626 -2.337 350 HE ARG 46 HE ARG 46 -6.697 23.620 -2.123 351 1HH1 ARG 46 2HH1 ARG 46 -7.622 25.573 0.195 352 2HH1 ARG 46 1HH1 ARG 46 -6.106 25.777 1.007 353 1HH2 ARG 46 1HH2 ARG 46 -4.228 24.437 -1.602 354 2HH2 ARG 46 2HH2 ARG 46 -4.172 25.130 -0.013 355 H ILE 47 H ILE 47 -7.427 26.034 -7.195 356 HA ILE 47 HA ILE 47 -5.108 26.863 -8.882 357 HB ILE 47 HB ILE 47 -6.942 25.911 -10.221 358 1HG1 ILE 47 2HG1 ILE 47 -7.409 28.496 -11.236 359 2HG1 ILE 47 1HG1 ILE 47 -5.830 28.574 -10.469 360 1HG2 ILE 47 1HG2 ILE 47 -9.136 26.809 -10.263 361 2HG2 ILE 47 2HG2 ILE 47 -8.668 28.231 -9.342 362 3HG2 ILE 47 3HG2 ILE 47 -8.751 26.658 -8.551 363 1HD1 ILE 47 1HD1 ILE 47 -6.734 26.860 -12.762 364 2HD1 ILE 47 2HD1 ILE 47 -5.430 26.290 -11.720 365 3HD1 ILE 47 3HD1 ILE 47 -5.256 27.812 -12.595 366 HA PRO 48 HA PRO 48 -5.551 30.556 -6.381 367 1HB PRO 48 2HB PRO 48 -3.162 31.652 -7.211 368 2HB PRO 48 1HB PRO 48 -3.286 30.423 -5.938 369 1HG PRO 48 2HG PRO 48 -2.386 30.108 -8.774 370 2HG PRO 48 1HG PRO 48 -1.899 29.196 -7.335 371 1HD PRO 48 2HD PRO 48 -3.728 28.285 -9.272 372 2HD PRO 48 1HD PRO 48 -3.566 27.631 -7.627 373 H SER 49 H SER 49 -4.734 30.394 -9.841 374 HA SER 49 HA SER 49 -5.426 33.168 -10.387 375 1HB SER 49 2HB SER 49 -5.248 32.508 -12.758 376 2HB SER 49 1HB SER 49 -3.878 31.878 -11.849 377 HG SER 49 HG SER 49 -6.077 30.543 -12.965 378 H SER 50 H SER 50 -7.496 33.946 -10.514 379 HA SER 50 HA SER 50 -9.654 32.241 -11.570 380 1HB SER 50 2HB SER 50 -9.291 32.750 -8.697 381 2HB SER 50 1HB SER 50 -10.891 33.193 -9.287 382 HG SER 50 HG SER 50 -10.196 30.839 -8.647 383 H GLY 51 H GLY 51 -11.263 33.463 -12.511 384 1HA GLY 51 2HA GLY 51 -12.577 35.651 -12.348 385 2HA GLY 51 1HA GLY 51 -10.998 36.435 -12.266 386 H ASP 52 H ASP 52 -10.552 37.386 -14.176 387 HA ASP 52 HA ASP 52 -10.512 37.802 -16.484 388 1HB ASP 52 2HB ASP 52 -9.816 34.854 -16.307 389 2HB ASP 52 1HB ASP 52 -9.680 35.783 -17.798 390 H LEU 53 H LEU 53 -11.314 35.183 -18.210 391 HA LEU 53 HA LEU 53 -14.260 35.599 -17.961 392 1HB LEU 53 2HB LEU 53 -12.675 36.489 -20.096 393 2HB LEU 53 1HB LEU 53 -13.417 34.999 -20.684 394 HG LEU 53 HG LEU 53 -15.395 36.480 -19.232 395 1HD1 LEU 53 1HD1 LEU 53 -13.641 38.071 -21.069 396 2HD1 LEU 53 2HD1 LEU 53 -14.457 38.572 -19.588 397 3HD1 LEU 53 3HD1 LEU 53 -15.376 38.388 -21.082 398 1HD2 LEU 53 1HD2 LEU 53 -16.451 36.494 -21.555 399 2HD2 LEU 53 2HD2 LEU 53 -15.985 34.905 -20.945 400 3HD2 LEU 53 3HD2 LEU 53 -14.974 35.723 -22.137 401 H SER 54 H SER 54 -15.066 33.665 -17.323 402 HA SER 54 HA SER 54 -15.396 31.359 -17.124 403 1HB SER 54 2HB SER 54 -14.952 31.908 -19.960 404 2HB SER 54 1HB SER 54 -14.456 30.274 -19.527 405 HG SER 54 HG SER 54 -16.770 30.692 -20.085 406 H GLU 55 H GLU 55 -13.117 32.259 -15.912 407 HA GLU 55 HA GLU 55 -11.020 30.238 -16.591 408 1HB GLU 55 2HB GLU 55 -10.599 32.859 -16.462 409 2HB GLU 55 1HB GLU 55 -10.512 32.535 -14.729 410 1HG GLU 55 2HG GLU 55 -9.005 30.505 -16.047 411 2HG GLU 55 1HG GLU 55 -8.513 32.053 -16.733 412 H SER 56 H SER 56 -10.491 28.716 -15.060 413 HA SER 56 HA SER 56 -10.603 27.447 -13.102 414 1HB SER 56 2HB SER 56 -10.869 30.255 -12.112 415 2HB SER 56 1HB SER 56 -11.235 28.948 -10.993 416 HG SER 56 HG SER 56 -8.999 29.627 -11.060 417 H ASP 57 H ASP 57 -12.513 26.411 -14.065 418 HA ASP 57 HA ASP 57 -15.159 27.336 -13.161 419 1HB ASP 57 2HB ASP 57 -14.162 25.620 -15.256 420 2HB ASP 57 1HB ASP 57 -15.337 24.727 -14.290 421 H ASP 58 H ASP 58 -14.996 27.108 -10.886 422 HA ASP 58 HA ASP 58 -14.944 24.278 -9.932 423 1HB ASP 58 2HB ASP 58 -14.040 25.349 -7.730 424 2HB ASP 58 1HB ASP 58 -12.924 25.082 -9.066 425 H TRP 59 H TRP 59 -16.146 27.597 -9.169 426 HA TRP 59 HA TRP 59 -18.757 26.489 -8.459 427 1HB TRP 59 2HB TRP 59 -16.897 26.588 -6.388 428 2HB TRP 59 1HB TRP 59 -17.832 28.067 -6.178 429 HD1 TRP 59 HD1 TRP 59 -18.121 24.281 -6.031 430 HE1 TRP 59 HE1 TRP 59 -20.405 23.639 -5.021 431 HE3 TRP 59 HE3 TRP 59 -20.379 28.878 -5.904 432 HZ2 TRP 59 HZ2 TRP 59 -22.852 24.891 -4.258 433 HZ3 TRP 59 HZ3 TRP 59 -22.688 29.114 -5.027 434 HH2 TRP 59 HH2 TRP 59 -23.926 27.127 -4.204 435 H SER 60 H SER 60 -20.169 27.931 -9.230 436 HA SER 60 HA SER 60 -21.096 29.921 -10.022 437 1HB SER 60 2HB SER 60 -20.314 30.264 -7.281 438 2HB SER 60 1HB SER 60 -20.104 31.793 -8.125 439 HG SER 60 HG SER 60 -22.233 31.552 -7.355 440 H GLU 61 H GLU 61 -19.678 29.958 -11.924 441 HA GLU 61 HA GLU 61 -17.446 31.935 -11.771 442 1HB GLU 61 2HB GLU 61 -18.057 29.613 -13.523 443 2HB GLU 61 1HB GLU 61 -17.350 31.013 -14.328 444 1HG GLU 61 2HG GLU 61 -15.586 29.475 -13.545 445 2HG GLU 61 1HG GLU 61 -15.491 31.020 -12.702 446 H GLU 62 H GLU 62 -20.106 31.082 -14.028 447 HA GLU 62 HA GLU 62 -21.610 32.439 -15.202 448 1HB GLU 62 2HB GLU 62 -20.895 34.024 -12.844 449 2HB GLU 62 1HB GLU 62 -21.321 35.027 -14.231 450 1HG GLU 62 2HG GLU 62 -23.348 33.389 -14.474 451 2HG GLU 62 1HG GLU 62 -22.997 32.979 -12.794 452 HA PRO 63 HA PRO 63 -19.207 34.410 -18.325 453 1HB PRO 63 2HB PRO 63 -21.164 35.906 -19.546 454 2HB PRO 63 1HB PRO 63 -21.036 34.145 -19.700 455 1HG PRO 63 2HG PRO 63 -22.980 35.753 -18.108 456 2HG PRO 63 1HG PRO 63 -23.165 34.132 -18.797 457 1HD PRO 63 2HD PRO 63 -22.609 34.735 -16.084 458 2HD PRO 63 1HD PRO 63 -22.488 33.136 -16.848 459 H LYS 64 H LYS 64 -20.577 36.279 -15.794 460 HA LYS 64 HA LYS 64 -19.722 38.891 -16.836 461 1HB LYS 64 2HB LYS 64 -21.093 37.913 -14.353 462 2HB LYS 64 1HB LYS 64 -20.365 39.520 -14.361 463 1HG LYS 64 2HG LYS 64 -22.260 40.251 -15.351 464 2HG LYS 64 1HG LYS 64 -21.729 39.388 -16.794 465 1HD LYS 64 2HD LYS 64 -23.327 37.803 -16.553 466 2HD LYS 64 1HD LYS 64 -22.973 37.604 -14.834 467 1HE LYS 64 2HE LYS 64 -24.172 39.953 -14.633 468 2HE LYS 64 1HE LYS 64 -24.898 39.481 -16.172 469 1HZ LYS 64 1HZ LYS 64 -26.358 38.639 -14.606 470 2HZ LYS 64 2HZ LYS 64 -25.125 38.172 -13.534 471 3HZ LYS 64 3HZ LYS 64 -25.398 37.288 -14.960 472 H GLN 65 HN GLN 65 -18.535 36.479 -14.509 473 HA GLN 65 HA GLN 65 -15.964 37.973 -14.423 474 1HB GLN 65 2HB GLN 65 -15.930 37.262 -11.879 475 2HB GLN 65 1HB GLN 65 -16.747 38.743 -12.370 476 1HG GLN 65 2HG GLN 65 -18.837 37.895 -11.941 477 2HG GLN 65 1HG GLN 65 -18.389 36.262 -12.428 478 1HE2 GLN 65 1HE2 GLN 65 -18.728 38.396 -9.689 479 2HE2 GLN 65 2HE2 GLN 65 -18.167 37.306 -8.513 Start of MODEL 15 1 H MET 1 1H MET 1 16.298 -10.915 -0.500 2 HA MET 1 HA MET 1 13.945 -10.820 0.030 3 1HB MET 1 2HB MET 1 13.994 -8.931 -2.116 4 2HB MET 1 1HB MET 1 12.909 -10.246 -2.569 5 1HG MET 1 2HG MET 1 11.894 -10.005 -0.226 6 2HG MET 1 1HG MET 1 12.776 -8.480 -0.121 7 1HE MET 1 1HE MET 1 9.559 -10.214 -1.361 8 2HE MET 1 2HE MET 1 8.728 -8.667 -1.230 9 3HE MET 1 3HE MET 1 9.770 -9.209 0.081 10 H SER 2 H SER 2 13.102 -12.832 -0.178 11 HA SER 2 HA SER 2 14.284 -14.643 -2.197 12 1HB SER 2 2HB SER 2 13.555 -14.952 0.472 13 2HB SER 2 1HB SER 2 12.289 -15.808 -0.404 14 HG SER 2 HG SER 2 15.068 -16.240 -0.359 15 H GLU 3 H GLU 3 13.210 -15.300 -3.989 16 HA GLU 3 HA GLU 3 11.495 -15.673 -5.528 17 1HB GLU 3 2HB GLU 3 10.455 -16.609 -3.232 18 2HB GLU 3 1HB GLU 3 9.341 -15.268 -3.509 19 1HG GLU 3 2HG GLU 3 9.690 -16.504 -6.021 20 2HG GLU 3 1HG GLU 3 9.473 -17.819 -4.864 21 H THR 4 H THR 4 11.610 -13.859 -6.793 22 HA THR 4 HA THR 4 10.501 -11.296 -5.873 23 HB THR 4 HB THR 4 11.119 -10.692 -8.353 24 HG1 THR 4 HG1 THR 4 11.784 -12.360 -9.412 25 1HG2 THR 4 1HG2 THR 4 12.434 -9.752 -6.642 26 2HG2 THR 4 2HG2 THR 4 13.603 -10.635 -7.622 27 3HG2 THR 4 3HG2 THR 4 13.022 -11.326 -6.107 28 H ILE 5 H ILE 5 8.298 -11.218 -5.856 29 HA ILE 5 HA ILE 5 6.691 -12.664 -7.839 30 HB ILE 5 HB ILE 5 4.755 -11.636 -6.667 31 1HG1 ILE 5 2HG1 ILE 5 6.241 -10.523 -4.434 32 2HG1 ILE 5 1HG1 ILE 5 6.661 -9.690 -5.930 33 1HG2 ILE 5 1HG2 ILE 5 6.888 -12.817 -4.863 34 2HG2 ILE 5 2HG2 ILE 5 5.688 -13.716 -5.791 35 3HG2 ILE 5 3HG2 ILE 5 5.179 -12.691 -4.450 36 1HD1 ILE 5 1HD1 ILE 5 3.929 -10.018 -4.683 37 2HD1 ILE 5 2HD1 ILE 5 4.131 -9.560 -6.374 38 3HD1 ILE 5 3HD1 ILE 5 4.766 -8.523 -5.096 39 H THR 6 H THR 6 4.931 -11.381 -9.057 40 HA THR 6 HA THR 6 6.142 -8.856 -10.119 41 HB THR 6 HB THR 6 4.796 -9.428 -12.219 42 HG1 THR 6 HG1 THR 6 3.566 -11.099 -12.020 43 1HG2 THR 6 1HG2 THR 6 7.157 -9.691 -12.298 44 2HG2 THR 6 2HG2 THR 6 6.497 -11.211 -12.899 45 3HG2 THR 6 3HG2 THR 6 7.111 -11.107 -11.249 46 H VAL 7 H VAL 7 4.978 -7.051 -9.795 47 HA VAL 7 HA VAL 7 2.142 -7.291 -8.920 48 HB VAL 7 HB VAL 7 4.059 -4.935 -8.821 49 1HG1 VAL 7 1HG1 VAL 7 1.808 -4.099 -8.954 50 2HG1 VAL 7 2HG1 VAL 7 2.281 -4.018 -7.257 51 3HG1 VAL 7 3HG1 VAL 7 1.227 -5.316 -7.819 52 1HG2 VAL 7 1HG2 VAL 7 3.709 -5.443 -6.276 53 2HG2 VAL 7 2HG2 VAL 7 4.839 -6.439 -7.193 54 3HG2 VAL 7 3HG2 VAL 7 3.221 -7.043 -6.837 55 H ASN 8 H ASN 8 0.598 -6.933 -10.440 56 HA ASN 8 HA ASN 8 1.322 -5.715 -13.019 57 1HB ASN 8 2HB ASN 8 -0.632 -7.574 -12.129 58 2HB ASN 8 1HB ASN 8 -1.508 -6.174 -12.746 59 1HD2 ASN 8 1HD2 ASN 8 -1.120 -5.549 -15.024 60 2HD2 ASN 8 2HD2 ASN 8 -0.455 -6.663 -16.119 61 H CYS 9 H CYS 9 0.909 -3.631 -13.585 62 HA CYS 9 HA CYS 9 0.041 -1.700 -11.645 63 1HB CYS 9 2HB CYS 9 1.524 -1.339 -13.726 64 2HB CYS 9 1HB CYS 9 0.015 -1.254 -14.633 65 HA PRO 10 HA PRO 10 -4.316 -2.477 -12.276 66 1HB PRO 10 2HB PRO 10 -5.131 -0.847 -10.215 67 2HB PRO 10 1HB PRO 10 -4.533 -2.500 -9.988 68 1HG PRO 10 2HG PRO 10 -3.164 0.084 -9.416 69 2HG PRO 10 1HG PRO 10 -2.914 -1.506 -8.677 70 1HD PRO 10 2HD PRO 10 -1.267 -0.310 -10.647 71 2HD PRO 10 1HD PRO 10 -1.218 -2.008 -10.128 72 H THR 11 H THR 11 -2.596 0.452 -12.759 73 HA THR 11 HA THR 11 -5.012 2.035 -13.404 74 HB THR 11 HB THR 11 -2.058 2.724 -13.513 75 HG1 THR 11 HG1 THR 11 -2.362 3.432 -11.557 76 1HG2 THR 11 1HG2 THR 11 -2.679 4.960 -14.044 77 2HG2 THR 11 2HG2 THR 11 -4.386 4.638 -13.746 78 3HG2 THR 11 3HG2 THR 11 -3.592 3.947 -15.161 79 H CYS 12 H CYS 12 -2.059 0.902 -15.122 80 HA CYS 12 HA CYS 12 -3.534 1.321 -17.688 81 1HB CYS 12 2HB CYS 12 -1.368 1.444 -18.774 82 2HB CYS 12 1HB CYS 12 -1.370 2.540 -17.393 83 H GLY 13 H GLY 13 -1.774 -1.104 -15.791 84 1HA GLY 13 2HA GLY 13 -2.320 -3.466 -15.968 85 2HA GLY 13 1HA GLY 13 -2.842 -3.190 -17.630 86 H LYS 14 H LYS 14 0.076 -3.083 -15.580 87 HA LYS 14 HA LYS 14 1.628 -4.209 -17.859 88 1HB LYS 14 2HB LYS 14 1.809 -1.573 -17.371 89 2HB LYS 14 1HB LYS 14 2.967 -2.144 -16.168 90 1HG LYS 14 2HG LYS 14 3.156 -3.312 -18.909 91 2HG LYS 14 1HG LYS 14 3.691 -1.644 -18.701 92 1HD LYS 14 2HD LYS 14 4.851 -2.816 -16.528 93 2HD LYS 14 1HD LYS 14 4.889 -4.151 -17.682 94 1HE LYS 14 2HE LYS 14 6.348 -3.075 -19.092 95 2HE LYS 14 1HE LYS 14 5.705 -1.477 -18.713 96 1HZ LYS 14 1HZ LYS 14 6.845 -1.496 -16.626 97 2HZ LYS 14 2HZ LYS 14 7.967 -1.877 -17.844 98 3HZ LYS 14 3HZ LYS 14 7.346 -3.103 -16.846 99 H THR 15 H THR 15 2.898 -5.883 -17.194 100 HA THR 15 HA THR 15 2.896 -6.661 -14.384 101 HB THR 15 HB THR 15 4.517 -7.879 -16.642 102 HG1 THR 15 HG1 THR 15 2.690 -8.534 -17.396 103 1HG2 THR 15 1HG2 THR 15 4.252 -9.930 -15.218 104 2HG2 THR 15 2HG2 THR 15 3.521 -8.914 -13.975 105 3HG2 THR 15 3HG2 THR 15 5.200 -8.655 -14.452 106 H VAL 16 H VAL 16 4.219 -5.660 -12.967 107 HA VAL 16 HA VAL 16 6.963 -4.867 -13.869 108 HB VAL 16 HB VAL 16 5.365 -3.752 -11.540 109 1HG1 VAL 16 1HG1 VAL 16 7.864 -3.631 -11.385 110 2HG1 VAL 16 2HG1 VAL 16 7.095 -2.047 -11.471 111 3HG1 VAL 16 3HG1 VAL 16 7.874 -2.727 -12.899 112 1HG2 VAL 16 1HG2 VAL 16 4.299 -3.162 -13.672 113 2HG2 VAL 16 2HG2 VAL 16 5.850 -2.629 -14.319 114 3HG2 VAL 16 3HG2 VAL 16 5.098 -1.746 -12.991 115 H VAL 17 H VAL 17 8.618 -5.993 -12.932 116 HA VAL 17 HA VAL 17 8.093 -8.114 -11.059 117 HB VAL 17 HB VAL 17 10.495 -8.475 -11.022 118 1HG1 VAL 17 1HG1 VAL 17 10.460 -9.281 -13.125 119 2HG1 VAL 17 2HG1 VAL 17 10.391 -7.662 -13.822 120 3HG1 VAL 17 3HG1 VAL 17 8.908 -8.467 -13.313 121 1HG2 VAL 17 1HG2 VAL 17 11.337 -6.239 -10.739 122 2HG2 VAL 17 2HG2 VAL 17 10.614 -5.710 -12.259 123 3HG2 VAL 17 3HG2 VAL 17 11.975 -6.832 -12.272 124 H TRP 18 H TRP 18 8.351 -8.221 -8.871 125 HA TRP 18 HA TRP 18 8.901 -5.654 -7.440 126 1HB TRP 18 2HB TRP 18 6.665 -6.552 -7.022 127 2HB TRP 18 1HB TRP 18 7.344 -8.119 -6.590 128 HD1 TRP 18 HD1 TRP 18 8.255 -8.437 -4.185 129 HE1 TRP 18 HE1 TRP 18 8.351 -6.936 -2.093 130 HE3 TRP 18 HE3 TRP 18 6.906 -3.961 -6.241 131 HZ2 TRP 18 HZ2 TRP 18 7.917 -4.206 -1.386 132 HZ3 TRP 18 HZ3 TRP 18 6.754 -1.928 -4.832 133 HH2 TRP 18 HH2 TRP 18 7.256 -2.045 -2.408 134 H GLY 19 H GLY 19 10.296 -5.735 -5.564 135 1HA GLY 19 2HA GLY 19 11.532 -7.531 -4.102 136 2HA GLY 19 1HA GLY 19 12.227 -8.006 -5.650 137 H GLU 20 H GLU 20 14.192 -7.160 -6.004 138 HA GLU 20 HA GLU 20 14.740 -4.340 -5.237 139 1HB GLU 20 2HB GLU 20 15.658 -6.460 -3.687 140 2HB GLU 20 1HB GLU 20 17.031 -6.102 -4.733 141 1HG GLU 20 2HG GLU 20 17.471 -4.534 -3.120 142 2HG GLU 20 1HG GLU 20 16.321 -3.583 -4.061 143 H ILE 21 H ILE 21 14.244 -5.714 -7.790 144 HA ILE 21 HA ILE 21 16.920 -5.484 -9.094 145 HB ILE 21 HB ILE 21 15.818 -7.665 -9.397 146 1HG1 ILE 21 2HG1 ILE 21 15.598 -6.140 -12.000 147 2HG1 ILE 21 1HG1 ILE 21 17.156 -6.500 -11.258 148 1HG2 ILE 21 1HG2 ILE 21 13.684 -7.871 -10.519 149 2HG2 ILE 21 2HG2 ILE 21 13.610 -6.132 -10.802 150 3HG2 ILE 21 3HG2 ILE 21 13.473 -6.767 -9.162 151 1HD1 ILE 21 1HD1 ILE 21 16.299 -8.950 -11.157 152 2HD1 ILE 21 2HD1 ILE 21 16.816 -8.318 -12.719 153 3HD1 ILE 21 3HD1 ILE 21 15.099 -8.422 -12.335 154 H SER 22 H SER 22 13.574 -4.339 -9.204 155 HA SER 22 HA SER 22 14.297 -2.472 -11.413 156 1HB SER 22 2HB SER 22 11.906 -3.945 -10.720 157 2HB SER 22 1HB SER 22 11.555 -2.220 -10.785 158 HG SER 22 HG SER 22 11.365 -3.128 -12.840 159 HA PRO 23 HA PRO 23 14.245 0.941 -8.625 160 1HB PRO 23 2HB PRO 23 13.594 2.935 -10.409 161 2HB PRO 23 1HB PRO 23 15.199 2.188 -10.315 162 1HG PRO 23 2HG PRO 23 13.056 1.786 -12.354 163 2HG PRO 23 1HG PRO 23 14.811 1.617 -12.522 164 1HD PRO 23 2HD PRO 23 12.976 -0.509 -12.233 165 2HD PRO 23 1HD PRO 23 14.738 -0.624 -12.033 166 H PHE 24 H PHE 24 11.474 0.674 -10.866 167 HA PHE 24 HA PHE 24 9.710 1.795 -8.728 168 1HB PHE 24 2HB PHE 24 9.973 2.668 -11.333 169 2HB PHE 24 1HB PHE 24 8.587 1.583 -11.449 170 HD1 PHE 24 HD1 PHE 24 9.958 4.472 -9.523 171 HD2 PHE 24 HD2 PHE 24 6.465 2.230 -10.623 172 HE1 PHE 24 HE1 PHE 24 8.521 6.198 -8.475 173 HE2 PHE 24 HE2 PHE 24 5.026 3.955 -9.574 174 HZ PHE 24 HZ PHE 24 6.055 5.940 -8.500 175 H ARG 25 H ARG 25 10.026 -0.565 -7.958 176 HA ARG 25 HA ARG 25 8.901 -2.772 -9.350 177 1HB ARG 25 2HB ARG 25 9.199 -2.255 -6.381 178 2HB ARG 25 1HB ARG 25 8.664 -3.796 -7.053 179 1HG ARG 25 2HG ARG 25 10.738 -4.325 -7.854 180 2HG ARG 25 1HG ARG 25 11.125 -2.650 -8.251 181 1HD ARG 25 2HD ARG 25 10.888 -3.466 -5.371 182 2HD ARG 25 1HD ARG 25 12.365 -3.835 -6.260 183 HE ARG 25 HE ARG 25 11.888 -1.133 -6.768 184 1HH1 ARG 25 1HH2 ARG 25 14.178 -2.431 -5.133 185 2HH1 ARG 25 2HH2 ARG 25 14.063 -1.524 -3.661 186 1HH2 ARG 25 2HH1 ARG 25 10.902 -0.261 -4.387 187 2HH2 ARG 25 1HH1 ARG 25 12.197 -0.288 -3.237 188 HA PRO 26 HA PRO 26 4.731 -1.779 -7.202 189 1HB PRO 26 2HB PRO 26 4.476 0.691 -6.007 190 2HB PRO 26 1HB PRO 26 4.996 -0.765 -5.142 191 1HG PRO 26 2HG PRO 26 6.628 1.558 -6.058 192 2HG PRO 26 1HG PRO 26 6.909 0.455 -4.700 193 1HD PRO 26 2HD PRO 26 8.221 0.357 -7.193 194 2HD PRO 26 1HD PRO 26 8.210 -0.936 -5.976 195 H PHE 27 H PHE 27 3.486 -1.420 -9.002 196 HA PHE 27 HA PHE 27 2.440 -0.325 -10.793 197 1HB PHE 27 2HB PHE 27 3.547 2.069 -9.314 198 2HB PHE 27 1HB PHE 27 2.750 2.251 -10.872 199 HD1 PHE 27 HD1 PHE 27 2.271 0.853 -7.437 200 HD2 PHE 27 HD2 PHE 27 0.395 2.278 -11.029 201 HE1 PHE 27 HE1 PHE 27 0.060 0.762 -6.319 202 HE2 PHE 27 HE2 PHE 27 -1.816 2.186 -9.910 203 HZ PHE 27 HZ PHE 27 -1.983 1.428 -7.556 204 H CYS 28 H CYS 28 3.051 0.809 -12.877 205 HA CYS 28 HA CYS 28 5.798 0.038 -13.618 206 1HB CYS 28 2HB CYS 28 5.089 0.448 -15.913 207 2HB CYS 28 1HB CYS 28 3.856 -0.506 -15.090 208 H SER 29 H SER 29 3.926 2.998 -13.137 209 HA SER 29 HA SER 29 6.448 4.554 -13.304 210 1HB SER 29 2HB SER 29 4.543 4.547 -15.394 211 2HB SER 29 1HB SER 29 4.310 6.067 -14.535 212 HG SER 29 HG SER 29 5.921 6.456 -15.961 213 H LYS 30 H LYS 30 6.263 6.662 -12.231 214 HA LYS 30 HA LYS 30 4.702 6.578 -9.828 215 1HB LYS 30 2HB LYS 30 5.433 8.954 -9.523 216 2HB LYS 30 1HB LYS 30 6.767 7.856 -9.867 217 1HG LYS 30 2HG LYS 30 7.292 8.960 -11.762 218 2HG LYS 30 1HG LYS 30 5.619 8.934 -12.319 219 1HD LYS 30 2HD LYS 30 5.259 10.794 -10.511 220 2HD LYS 30 1HD LYS 30 7.011 10.985 -10.615 221 1HE LYS 30 2HE LYS 30 6.885 11.435 -12.992 222 2HE LYS 30 1HE LYS 30 5.163 11.052 -13.019 223 1HZ LYS 30 1HZ LYS 30 5.334 12.943 -11.089 224 2HZ LYS 30 2HZ LYS 30 4.883 13.226 -12.703 225 3HZ LYS 30 3HZ LYS 30 6.490 13.472 -12.213 226 H ARG 31 H ARG 31 4.072 7.937 -13.010 227 HA ARG 31 HA ARG 31 1.858 9.622 -12.249 228 1HB ARG 31 2HB ARG 31 3.133 8.725 -14.719 229 2HB ARG 31 1HB ARG 31 1.377 8.786 -14.872 230 1HG ARG 31 2HG ARG 31 2.902 11.070 -13.625 231 2HG ARG 31 1HG ARG 31 2.714 10.953 -15.376 232 1HD ARG 31 2HD ARG 31 0.708 11.959 -15.117 233 2HD ARG 31 1HD ARG 31 0.149 10.457 -14.380 234 HE ARG 31 HE ARG 31 0.985 11.496 -12.177 235 1HH1 ARG 31 2HH1 ARG 31 1.939 14.018 -13.595 236 2HH1 ARG 31 1HH1 ARG 31 0.635 15.106 -13.254 237 1HH2 ARG 31 1HH2 ARG 31 -1.551 12.587 -12.286 238 2HH2 ARG 31 2HH2 ARG 31 -1.349 14.292 -12.511 239 H CYS 32 H CYS 32 2.089 6.242 -13.396 240 HA CYS 32 HA CYS 32 -0.720 5.713 -13.489 241 1HB CYS 32 2HB CYS 32 1.766 4.096 -13.394 242 2HB CYS 32 1HB CYS 32 0.307 3.286 -12.825 243 H GLN 33 H GLN 33 1.674 5.255 -10.867 244 HA GLN 33 HA GLN 33 -0.161 4.245 -8.912 245 1HB GLN 33 2HB GLN 33 2.374 4.234 -8.747 246 2HB GLN 33 1HB GLN 33 2.284 5.952 -8.357 247 1HG GLN 33 2HG GLN 33 0.745 5.374 -6.455 248 2HG GLN 33 1HG GLN 33 1.040 3.669 -6.797 249 1HE2 GLN 33 1HE2 GLN 33 3.231 2.827 -6.396 250 2HE2 GLN 33 2HE2 GLN 33 4.324 3.682 -5.420 251 H LEU 34 H LEU 34 0.739 7.517 -9.910 252 HA LEU 34 HA LEU 34 -0.573 8.971 -7.829 253 1HB LEU 34 2HB LEU 34 0.893 9.602 -10.129 254 2HB LEU 34 1HB LEU 34 -0.706 10.264 -10.454 255 HG LEU 34 HG LEU 34 -0.655 11.490 -8.330 256 1HD1 LEU 34 1HD1 LEU 34 1.921 9.967 -8.000 257 2HD1 LEU 34 2HD1 LEU 34 0.617 10.200 -6.837 258 3HD1 LEU 34 3HD1 LEU 34 1.714 11.528 -7.209 259 1HD2 LEU 34 1HD2 LEU 34 0.367 12.455 -10.426 260 2HD2 LEU 34 2HD2 LEU 34 1.940 11.926 -9.831 261 3HD2 LEU 34 3HD2 LEU 34 1.012 13.127 -8.930 262 H ILE 35 H ILE 35 -1.731 8.518 -11.199 263 HA ILE 35 HA ILE 35 -4.385 9.336 -10.837 264 HB ILE 35 HB ILE 35 -3.556 7.007 -12.593 265 1HG1 ILE 35 2HG1 ILE 35 -2.028 8.851 -13.039 266 2HG1 ILE 35 1HG1 ILE 35 -3.196 8.763 -14.352 267 1HG2 ILE 35 1HG2 ILE 35 -5.586 9.068 -13.345 268 2HG2 ILE 35 2HG2 ILE 35 -6.048 7.853 -12.155 269 3HG2 ILE 35 3HG2 ILE 35 -5.515 7.357 -13.761 270 1HD1 ILE 35 1HD1 ILE 35 -2.665 11.092 -13.299 271 2HD1 ILE 35 2HD1 ILE 35 -3.716 10.557 -11.990 272 3HD1 ILE 35 3HD1 ILE 35 -4.345 10.677 -13.632 273 H ASP 36 H ASP 36 -2.929 6.221 -9.983 274 HA ASP 36 HA ASP 36 -5.248 4.678 -9.535 275 1HB ASP 36 2HB ASP 36 -2.682 4.106 -9.270 276 2HB ASP 36 1HB ASP 36 -2.971 4.536 -7.585 277 H LEU 37 H LEU 37 -3.614 6.956 -7.302 278 HA LEU 37 HA LEU 37 -5.385 6.579 -5.083 279 1HB LEU 37 2HB LEU 37 -3.429 8.659 -5.931 280 2HB LEU 37 1HB LEU 37 -4.636 9.150 -4.746 281 HG LEU 37 HG LEU 37 -3.200 6.556 -4.326 282 1HD1 LEU 37 1HD1 LEU 37 -2.049 9.311 -3.784 283 2HD1 LEU 37 2HD1 LEU 37 -1.367 8.072 -4.838 284 3HD1 LEU 37 3HD1 LEU 37 -1.416 7.817 -3.093 285 1HD2 LEU 37 1HD2 LEU 37 -3.417 7.416 -1.933 286 2HD2 LEU 37 2HD2 LEU 37 -4.938 7.084 -2.761 287 3HD2 LEU 37 3HD2 LEU 37 -4.371 8.745 -2.591 288 H GLY 38 H GLY 38 -5.330 9.244 -7.481 289 1HA GLY 38 2HA GLY 38 -7.346 9.968 -8.660 290 2HA GLY 38 1HA GLY 38 -8.312 9.338 -7.326 291 H GLU 39 H GLU 39 -5.409 11.287 -6.903 292 HA GLU 39 HA GLU 39 -7.099 13.590 -6.008 293 1HB GLU 39 2HB GLU 39 -5.510 11.888 -4.383 294 2HB GLU 39 1HB GLU 39 -4.625 13.406 -4.521 295 1HG GLU 39 2HG GLU 39 -6.932 14.521 -4.016 296 2HG GLU 39 1HG GLU 39 -7.382 12.926 -3.410 297 H TRP 40 H TRP 40 -5.856 13.284 -8.581 298 HA TRP 40 HA TRP 40 -3.828 15.467 -8.426 299 1HB TRP 40 2HB TRP 40 -3.482 13.211 -10.386 300 2HB TRP 40 1HB TRP 40 -2.274 14.334 -9.758 301 HD1 TRP 40 HD1 TRP 40 -3.811 11.008 -9.141 302 HE1 TRP 40 HE1 TRP 40 -2.896 9.994 -6.962 303 HE3 TRP 40 HE3 TRP 40 -1.374 15.062 -7.221 304 HZ2 TRP 40 HZ2 TRP 40 -1.351 10.774 -4.711 305 HZ3 TRP 40 HZ3 TRP 40 -0.186 14.897 -5.051 306 HH2 TRP 40 HH2 TRP 40 -0.169 12.759 -3.792 307 H ALA 41 H ALA 41 -4.311 17.094 -9.787 308 HA ALA 41 HA ALA 41 -5.944 16.501 -12.219 309 1HB ALA 41 1HB ALA 41 -6.250 18.897 -10.384 310 2HB ALA 41 2HB ALA 41 -7.380 17.548 -10.499 311 3HB ALA 41 3HB ALA 41 -7.146 18.624 -11.877 312 H ALA 42 H ALA 42 -3.929 19.033 -10.647 313 HA ALA 42 HA ALA 42 -2.462 19.328 -13.209 314 1HB ALA 42 1HB ALA 42 -3.893 21.111 -13.593 315 2HB ALA 42 2HB ALA 42 -2.629 21.923 -12.669 316 3HB ALA 42 3HB ALA 42 -4.126 21.432 -11.875 317 H GLU 43 H GLU 43 -0.778 18.253 -11.932 318 HA GLU 43 HA GLU 43 0.322 19.626 -9.578 319 1HB GLU 43 2HB GLU 43 1.148 17.214 -11.204 320 2HB GLU 43 1HB GLU 43 2.231 17.905 -9.997 321 1HG GLU 43 2HG GLU 43 1.065 16.278 -8.769 322 2HG GLU 43 1HG GLU 43 0.170 17.753 -8.403 323 H GLU 44 H GLU 44 1.895 18.662 -12.646 324 HA GLU 44 HA GLU 44 3.755 20.921 -12.514 325 1HB GLU 44 2HB GLU 44 4.058 18.498 -13.563 326 2HB GLU 44 1HB GLU 44 3.339 19.253 -14.984 327 1HG GLU 44 2HG GLU 44 5.584 20.674 -13.598 328 2HG GLU 44 1HG GLU 44 5.967 19.286 -14.615 329 H LYS 45 H LYS 45 3.169 22.963 -13.225 330 HA LYS 45 HA LYS 45 0.836 23.140 -15.073 331 1HB LYS 45 2HB LYS 45 1.266 24.475 -12.725 332 2HB LYS 45 1HB LYS 45 1.855 25.650 -13.905 333 1HG LYS 45 2HG LYS 45 -0.265 25.367 -15.191 334 2HG LYS 45 1HG LYS 45 -0.857 24.295 -13.923 335 1HD LYS 45 2HD LYS 45 -0.517 26.180 -12.283 336 2HD LYS 45 1HD LYS 45 -0.167 27.232 -13.655 337 1HE LYS 45 2HE LYS 45 -2.752 25.775 -13.053 338 2HE LYS 45 1HE LYS 45 -2.501 27.515 -13.178 339 1HZ LYS 45 1HZ LYS 45 -2.369 25.519 -15.373 340 2HZ LYS 45 2HZ LYS 45 -1.879 27.136 -15.541 341 3HZ LYS 45 3HZ LYS 45 -3.498 26.770 -15.188 342 H ARG 46 H ARG 46 1.073 23.777 -17.098 343 HA ARG 46 HA ARG 46 3.600 25.157 -17.929 344 1HB ARG 46 2HB ARG 46 2.021 22.932 -19.195 345 2HB ARG 46 1HB ARG 46 2.869 24.074 -20.238 346 1HG ARG 46 2HG ARG 46 4.773 23.495 -18.328 347 2HG ARG 46 1HG ARG 46 3.951 21.947 -18.526 348 1HD ARG 46 2HD ARG 46 4.783 21.642 -20.611 349 2HD ARG 46 1HD ARG 46 4.483 23.319 -21.072 350 HE ARG 46 HE ARG 46 6.681 23.882 -20.327 351 1HH1 ARG 46 2HH1 ARG 46 6.652 22.280 -17.781 352 2HH1 ARG 46 1HH1 ARG 46 7.849 21.071 -18.105 353 1HH2 ARG 46 1HH2 ARG 46 7.849 21.615 -21.532 354 2HH2 ARG 46 2HH2 ARG 46 8.529 20.693 -20.233 355 H ILE 47 H ILE 47 0.164 24.637 -18.752 356 HA ILE 47 HA ILE 47 -0.011 27.054 -20.369 357 HB ILE 47 HB ILE 47 -2.470 26.555 -20.340 358 1HG1 ILE 47 2HG1 ILE 47 -2.070 23.927 -19.059 359 2HG1 ILE 47 1HG1 ILE 47 -1.909 25.288 -17.951 360 1HG2 ILE 47 1HG2 ILE 47 -0.424 25.201 -21.609 361 2HG2 ILE 47 2HG2 ILE 47 -2.135 25.035 -21.988 362 3HG2 ILE 47 3HG2 ILE 47 -1.361 23.890 -20.896 363 1HD1 ILE 47 1HD1 ILE 47 -4.231 24.646 -17.968 364 2HD1 ILE 47 2HD1 ILE 47 -4.274 24.651 -19.730 365 3HD1 ILE 47 3HD1 ILE 47 -4.099 26.168 -18.847 366 HA PRO 48 HA PRO 48 -0.834 29.885 -17.090 367 1HB PRO 48 2HB PRO 48 -2.013 31.862 -18.594 368 2HB PRO 48 1HB PRO 48 -0.270 31.548 -18.577 369 1HG PRO 48 2HG PRO 48 -2.273 30.903 -20.687 370 2HG PRO 48 1HG PRO 48 -0.533 31.197 -20.843 371 1HD PRO 48 2HD PRO 48 -1.793 28.661 -20.867 372 2HD PRO 48 1HD PRO 48 -0.051 28.964 -20.687 373 H SER 49 H SER 49 -3.558 29.489 -19.408 374 HA SER 49 HA SER 49 -5.393 29.288 -17.061 375 1HB SER 49 2HB SER 49 -5.340 31.371 -19.066 376 2HB SER 49 1HB SER 49 -6.857 30.482 -19.164 377 HG SER 49 HG SER 49 -6.526 32.334 -17.558 378 H SER 50 H SER 50 -5.260 28.908 -20.634 379 HA SER 50 HA SER 50 -6.567 26.248 -20.291 380 1HB SER 50 2HB SER 50 -7.657 28.586 -21.642 381 2HB SER 50 1HB SER 50 -7.489 27.228 -22.747 382 HG SER 50 HG SER 50 -9.482 27.422 -21.381 383 H GLY 51 H GLY 51 -5.890 24.682 -21.816 384 1HA GLY 51 2HA GLY 51 -3.334 25.304 -23.152 385 2HA GLY 51 1HA GLY 51 -4.032 23.699 -22.950 386 H ASP 52 H ASP 52 -4.670 26.766 -24.687 387 HA ASP 52 HA ASP 52 -6.056 25.268 -26.839 388 1HB ASP 52 2HB ASP 52 -5.728 28.193 -26.149 389 2HB ASP 52 1HB ASP 52 -6.316 27.709 -27.736 390 H LEU 53 H LEU 53 -5.029 27.492 -28.755 391 HA LEU 53 HA LEU 53 -2.836 25.986 -29.879 392 1HB LEU 53 2HB LEU 53 -4.622 27.834 -30.823 393 2HB LEU 53 1HB LEU 53 -3.167 28.818 -30.684 394 HG LEU 53 HG LEU 53 -2.099 26.643 -31.856 395 1HD1 LEU 53 1HD1 LEU 53 -4.914 26.803 -32.972 396 2HD1 LEU 53 2HD1 LEU 53 -4.356 25.535 -31.878 397 3HD1 LEU 53 3HD1 LEU 53 -3.633 25.702 -33.476 398 1HD2 LEU 53 1HD2 LEU 53 -3.568 28.433 -33.730 399 2HD2 LEU 53 2HD2 LEU 53 -1.856 28.025 -33.668 400 3HD2 LEU 53 3HD2 LEU 53 -2.509 29.217 -32.554 401 H SER 54 H SER 54 -0.637 27.017 -30.299 402 HA SER 54 HA SER 54 0.502 28.023 -27.816 403 1HB SER 54 2HB SER 54 1.495 26.948 -30.321 404 2HB SER 54 1HB SER 54 2.372 28.419 -29.910 405 HG SER 54 HG SER 54 3.276 27.395 -28.311 406 H GLU 55 H GLU 55 -1.030 29.901 -27.770 407 HA GLU 55 HA GLU 55 -0.281 32.147 -29.578 408 1HB GLU 55 2HB GLU 55 -2.691 31.322 -29.282 409 2HB GLU 55 1HB GLU 55 -2.618 32.014 -27.665 410 1HG GLU 55 2HG GLU 55 -1.621 34.000 -29.422 411 2HG GLU 55 1HG GLU 55 -3.080 33.351 -30.173 412 H SER 56 H SER 56 1.757 32.529 -28.283 413 HA SER 56 HA SER 56 1.439 33.498 -25.522 414 1HB SER 56 2HB SER 56 3.697 32.924 -27.343 415 2HB SER 56 1HB SER 56 3.949 34.312 -26.288 416 HG SER 56 HG SER 56 4.311 32.915 -24.779 417 H ASP 57 H ASP 57 -0.287 35.019 -26.588 418 HA ASP 57 HA ASP 57 1.041 37.633 -27.155 419 1HB ASP 57 2HB ASP 57 0.193 37.278 -29.265 420 2HB ASP 57 1HB ASP 57 -1.069 36.190 -28.693 421 H ASP 58 H ASP 58 -2.045 36.093 -26.112 422 HA ASP 58 HA ASP 58 -2.311 38.342 -24.162 423 1HB ASP 58 2HB ASP 58 -4.780 38.233 -24.461 424 2HB ASP 58 1HB ASP 58 -3.946 38.698 -25.939 425 H TRP 59 H TRP 59 -3.396 37.771 -22.151 426 HA TRP 59 HA TRP 59 -2.660 35.180 -21.114 427 1HB TRP 59 2HB TRP 59 -4.190 37.543 -20.107 428 2HB TRP 59 1HB TRP 59 -4.452 36.007 -19.291 429 HD1 TRP 59 HD1 TRP 59 -2.027 38.843 -19.578 430 HE1 TRP 59 HE1 TRP 59 -0.007 38.425 -18.035 431 HE3 TRP 59 HE3 TRP 59 -2.836 33.937 -18.316 432 HZ2 TRP 59 HZ2 TRP 59 1.113 36.325 -16.479 433 HZ3 TRP 59 HZ3 TRP 59 -1.265 32.768 -16.792 434 HH2 TRP 59 HH2 TRP 59 0.707 33.958 -15.878 435 H SER 60 H SER 60 -5.772 36.621 -22.089 436 HA SER 60 HA SER 60 -7.319 34.251 -21.423 437 1HB SER 60 2HB SER 60 -7.853 36.936 -22.586 438 2HB SER 60 1HB SER 60 -9.006 35.663 -22.971 439 HG SER 60 HG SER 60 -9.759 36.257 -21.077 440 H GLU 61 H GLU 61 -6.293 32.548 -22.724 441 HA GLU 61 HA GLU 61 -6.093 32.684 -25.600 442 1HB GLU 61 2HB GLU 61 -6.549 30.212 -23.884 443 2HB GLU 61 1HB GLU 61 -5.937 30.236 -25.536 444 1HG GLU 61 2HG GLU 61 -4.532 31.710 -23.304 445 2HG GLU 61 1HG GLU 61 -4.191 30.018 -23.659 446 H GLU 62 H GLU 62 -8.543 31.251 -23.436 447 HA GLU 62 HA GLU 62 -10.837 30.983 -23.652 448 1HB GLU 62 2HB GLU 62 -10.198 33.308 -25.269 449 2HB GLU 62 1HB GLU 62 -11.586 32.436 -25.922 450 1HG GLU 62 2HG GLU 62 -12.790 33.543 -24.349 451 2HG GLU 62 1HG GLU 62 -12.090 32.393 -23.208 452 HA PRO 63 HA PRO 63 -11.361 27.826 -26.676 453 1HB PRO 63 2HB PRO 63 -14.021 27.329 -26.148 454 2HB PRO 63 1HB PRO 63 -12.701 26.768 -25.108 455 1HG PRO 63 2HG PRO 63 -14.645 28.969 -24.637 456 2HG PRO 63 1HG PRO 63 -13.711 28.027 -23.464 457 1HD PRO 63 2HD PRO 63 -13.129 30.667 -24.357 458 2HD PRO 63 1HD PRO 63 -12.082 29.629 -23.366 459 H LYS 64 H LYS 64 -11.391 28.523 -28.782 460 HA LYS 64 HA LYS 64 -12.382 29.157 -30.838 461 1HB LYS 64 2HB LYS 64 -14.658 28.863 -29.249 462 2HB LYS 64 1HB LYS 64 -14.739 30.543 -29.780 463 1HG LYS 64 2HG LYS 64 -14.053 29.349 -32.114 464 2HG LYS 64 1HG LYS 64 -14.976 28.044 -31.359 465 1HD LYS 64 2HD LYS 64 -16.759 29.809 -30.844 466 2HD LYS 64 1HD LYS 64 -15.893 30.861 -31.959 467 1HE LYS 64 2HE LYS 64 -17.710 29.679 -33.119 468 2HE LYS 64 1HE LYS 64 -16.137 29.189 -33.752 469 1HZ LYS 64 1HZ LYS 64 -18.042 27.494 -32.945 470 2HZ LYS 64 2HZ LYS 64 -17.112 27.605 -31.530 471 3HZ LYS 64 3HZ LYS 64 -16.391 27.116 -32.986 472 H GLN 65 HN GLN 65 -11.267 30.870 -31.641 473 HA GLN 65 HA GLN 65 -11.390 33.461 -30.142 474 1HB GLN 65 2HB GLN 65 -9.184 32.064 -31.614 475 2HB GLN 65 1HB GLN 65 -9.205 33.828 -31.634 476 1HG GLN 65 2HG GLN 65 -9.000 33.979 -29.284 477 2HG GLN 65 1HG GLN 65 -9.509 32.310 -29.043 478 1HE2 GLN 65 1HE2 GLN 65 -7.093 33.257 -31.516 479 2HE2 GLN 65 2HE2 GLN 65 -5.789 32.482 -30.754 Start of MODEL 16 1 H MET 1 1H MET 1 12.005 -20.366 -1.930 2 HA MET 1 HA MET 1 13.244 -18.354 -1.309 3 1HB MET 1 2HB MET 1 14.265 -20.838 -2.232 4 2HB MET 1 1HB MET 1 15.356 -19.585 -2.827 5 1HG MET 1 2HG MET 1 15.834 -18.795 -0.666 6 2HG MET 1 1HG MET 1 14.400 -19.553 0.029 7 1HE MET 1 1HE MET 1 17.353 -19.733 1.247 8 2HE MET 1 2HE MET 1 17.274 -21.397 1.821 9 3HE MET 1 3HE MET 1 15.857 -20.360 1.954 10 H SER 2 H SER 2 13.996 -16.389 -1.978 11 HA SER 2 HA SER 2 14.403 -14.583 -3.417 12 1HB SER 2 2HB SER 2 16.309 -16.311 -3.993 13 2HB SER 2 1HB SER 2 15.405 -16.527 -5.489 14 HG SER 2 HG SER 2 17.084 -14.824 -5.425 15 H GLU 3 H GLU 3 11.840 -16.102 -3.565 16 HA GLU 3 HA GLU 3 10.950 -16.340 -6.275 17 1HB GLU 3 2HB GLU 3 9.841 -16.665 -3.658 18 2HB GLU 3 1HB GLU 3 8.761 -15.619 -4.580 19 1HG GLU 3 2HG GLU 3 7.974 -17.718 -5.205 20 2HG GLU 3 1HG GLU 3 9.151 -17.409 -6.483 21 H THR 4 H THR 4 11.118 -14.607 -7.619 22 HA THR 4 HA THR 4 10.484 -11.901 -6.599 23 HB THR 4 HB THR 4 11.294 -12.555 -9.437 24 HG1 THR 4 HG1 THR 4 12.934 -13.471 -8.382 25 1HG2 THR 4 1HG2 THR 4 11.670 -10.179 -7.596 26 2HG2 THR 4 2HG2 THR 4 10.594 -10.269 -8.988 27 3HG2 THR 4 3HG2 THR 4 12.342 -10.297 -9.223 28 H ILE 5 H ILE 5 8.238 -11.949 -6.363 29 HA ILE 5 HA ILE 5 6.515 -12.932 -8.512 30 HB ILE 5 HB ILE 5 4.657 -12.064 -7.096 31 1HG1 ILE 5 2HG1 ILE 5 6.413 -11.463 -4.805 32 2HG1 ILE 5 1HG1 ILE 5 6.530 -10.286 -6.114 33 1HG2 ILE 5 1HG2 ILE 5 6.529 -14.120 -6.478 34 2HG2 ILE 5 2HG2 ILE 5 4.821 -14.039 -6.041 35 3HG2 ILE 5 3HG2 ILE 5 6.041 -13.375 -4.954 36 1HD1 ILE 5 1HD1 ILE 5 4.223 -10.933 -4.345 37 2HD1 ILE 5 2HD1 ILE 5 3.849 -10.567 -6.031 38 3HD1 ILE 5 3HD1 ILE 5 4.707 -9.386 -5.041 39 H THR 6 H THR 6 5.173 -11.605 -9.857 40 HA THR 6 HA THR 6 6.242 -8.834 -10.177 41 HB THR 6 HB THR 6 5.359 -9.034 -12.532 42 HG1 THR 6 HG1 THR 6 3.981 -10.625 -12.681 43 1HG2 THR 6 1HG2 THR 6 7.713 -9.412 -12.123 44 2HG2 THR 6 2HG2 THR 6 7.152 -10.633 -13.264 45 3HG2 THR 6 3HG2 THR 6 7.398 -11.056 -11.569 46 H VAL 7 H VAL 7 4.911 -7.241 -9.566 47 HA VAL 7 HA VAL 7 2.032 -7.773 -9.164 48 HB VAL 7 HB VAL 7 2.013 -5.441 -8.224 49 1HG1 VAL 7 1HG1 VAL 7 2.317 -7.088 -6.579 50 2HG1 VAL 7 2HG1 VAL 7 3.696 -6.018 -6.319 51 3HG1 VAL 7 3HG1 VAL 7 3.910 -7.539 -7.187 52 1HG2 VAL 7 1HG2 VAL 7 4.900 -5.205 -7.975 53 2HG2 VAL 7 2HG2 VAL 7 3.734 -4.019 -8.560 54 3HG2 VAL 7 3HG2 VAL 7 4.416 -5.206 -9.670 55 H ASN 8 H ASN 8 0.428 -6.965 -10.508 56 HA ASN 8 HA ASN 8 1.335 -5.706 -13.032 57 1HB ASN 8 2HB ASN 8 -0.694 -7.560 -12.363 58 2HB ASN 8 1HB ASN 8 -1.521 -6.096 -12.892 59 1HD2 ASN 8 1HD2 ASN 8 0.941 -8.493 -13.910 60 2HD2 ASN 8 2HD2 ASN 8 0.780 -8.186 -15.572 61 H CYS 9 H CYS 9 0.912 -3.607 -13.574 62 HA CYS 9 HA CYS 9 0.109 -1.711 -11.575 63 1HB CYS 9 2HB CYS 9 1.548 -1.301 -13.668 64 2HB CYS 9 1HB CYS 9 0.029 -1.219 -14.560 65 HA PRO 10 HA PRO 10 -4.273 -2.422 -12.101 66 1HB PRO 10 2HB PRO 10 -5.024 -0.766 -10.039 67 2HB PRO 10 1HB PRO 10 -4.438 -2.422 -9.811 68 1HG PRO 10 2HG PRO 10 -3.026 0.154 -9.300 69 2HG PRO 10 1HG PRO 10 -2.783 -1.428 -8.543 70 1HD PRO 10 2HD PRO 10 -1.154 -0.287 -10.554 71 2HD PRO 10 1HD PRO 10 -1.130 -1.984 -10.028 72 H THR 11 H THR 11 -2.537 0.468 -12.688 73 HA THR 11 HA THR 11 -4.956 2.068 -13.282 74 HB THR 11 HB THR 11 -2.001 2.741 -13.457 75 HG1 THR 11 HG1 THR 11 -2.260 3.399 -11.486 76 1HG2 THR 11 1HG2 THR 11 -4.471 4.434 -13.926 77 2HG2 THR 11 2HG2 THR 11 -3.207 4.058 -15.097 78 3HG2 THR 11 3HG2 THR 11 -2.848 5.092 -13.714 79 H CYS 12 H CYS 12 -2.055 0.865 -15.037 80 HA CYS 12 HA CYS 12 -3.572 1.262 -17.586 81 1HB CYS 12 2HB CYS 12 -1.411 1.330 -18.714 82 2HB CYS 12 1HB CYS 12 -1.416 2.492 -17.389 83 H GLY 13 H GLY 13 -1.725 -1.120 -15.707 84 1HA GLY 13 2HA GLY 13 -2.279 -3.490 -15.815 85 2HA GLY 13 1HA GLY 13 -2.847 -3.248 -17.468 86 H LYS 14 H LYS 14 0.120 -3.107 -15.492 87 HA LYS 14 HA LYS 14 1.621 -4.236 -17.806 88 1HB LYS 14 2HB LYS 14 1.816 -1.592 -17.239 89 2HB LYS 14 1HB LYS 14 3.055 -2.225 -16.155 90 1HG LYS 14 2HG LYS 14 3.543 -3.631 -18.474 91 2HG LYS 14 1HG LYS 14 3.044 -2.053 -19.088 92 1HD LYS 14 2HD LYS 14 4.902 -1.010 -18.285 93 2HD LYS 14 1HD LYS 14 4.901 -1.947 -16.791 94 1HE LYS 14 2HE LYS 14 5.490 -3.830 -18.772 95 2HE LYS 14 1HE LYS 14 6.401 -2.398 -19.251 96 1HZ LYS 14 1HZ LYS 14 6.718 -4.105 -16.923 97 2HZ LYS 14 2HZ LYS 14 6.882 -2.439 -16.629 98 3HZ LYS 14 3HZ LYS 14 7.874 -3.205 -17.776 99 H THR 15 H THR 15 2.952 -5.886 -17.190 100 HA THR 15 HA THR 15 2.965 -6.751 -14.413 101 HB THR 15 HB THR 15 4.662 -7.822 -16.687 102 HG1 THR 15 HG1 THR 15 2.894 -8.589 -17.478 103 1HG2 THR 15 1HG2 THR 15 4.183 -9.956 -15.232 104 2HG2 THR 15 2HG2 THR 15 3.855 -8.779 -13.958 105 3HG2 THR 15 3HG2 THR 15 5.440 -8.824 -14.730 106 H VAL 16 H VAL 16 4.238 -5.772 -12.937 107 HA VAL 16 HA VAL 16 6.976 -4.894 -13.775 108 HB VAL 16 HB VAL 16 5.334 -3.793 -11.476 109 1HG1 VAL 16 1HG1 VAL 16 7.989 -3.131 -12.740 110 2HG1 VAL 16 2HG1 VAL 16 7.605 -3.357 -11.034 111 3HG1 VAL 16 3HG1 VAL 16 7.077 -1.898 -11.871 112 1HG2 VAL 16 1HG2 VAL 16 4.123 -2.872 -13.195 113 2HG2 VAL 16 2HG2 VAL 16 5.408 -3.132 -14.375 114 3HG2 VAL 16 3HG2 VAL 16 5.490 -1.760 -13.270 115 H VAL 17 H VAL 17 8.657 -5.833 -12.710 116 HA VAL 17 HA VAL 17 8.292 -8.097 -11.028 117 HB VAL 17 HB VAL 17 10.340 -7.572 -12.392 118 1HG1 VAL 17 1HG1 VAL 17 11.935 -5.992 -11.673 119 2HG1 VAL 17 2HG1 VAL 17 11.214 -5.859 -10.069 120 3HG1 VAL 17 3HG1 VAL 17 10.398 -5.152 -11.464 121 1HG2 VAL 17 1HG2 VAL 17 10.911 -8.063 -9.456 122 2HG2 VAL 17 2HG2 VAL 17 11.882 -8.598 -10.829 123 3HG2 VAL 17 3HG2 VAL 17 10.281 -9.288 -10.558 124 H TRP 18 H TRP 18 8.285 -8.362 -8.811 125 HA TRP 18 HA TRP 18 8.400 -5.882 -7.134 126 1HB TRP 18 2HB TRP 18 6.083 -6.656 -7.309 127 2HB TRP 18 1HB TRP 18 6.563 -8.284 -6.840 128 HD1 TRP 18 HD1 TRP 18 6.607 -8.815 -4.337 129 HE1 TRP 18 HE1 TRP 18 6.377 -7.435 -2.172 130 HE3 TRP 18 HE3 TRP 18 6.643 -4.098 -6.290 131 HZ2 TRP 18 HZ2 TRP 18 6.230 -4.693 -1.375 132 HZ3 TRP 18 HZ3 TRP 18 6.459 -2.125 -4.805 133 HH2 TRP 18 HH2 TRP 18 6.252 -2.415 -2.353 134 H GLY 19 H GLY 19 9.306 -6.146 -5.028 135 1HA GLY 19 2HA GLY 19 10.109 -7.879 -3.327 136 2HA GLY 19 1HA GLY 19 10.938 -8.633 -4.692 137 H GLU 20 H GLU 20 12.874 -7.749 -5.419 138 HA GLU 20 HA GLU 20 13.767 -5.107 -4.559 139 1HB GLU 20 2HB GLU 20 14.243 -7.200 -2.779 140 2HB GLU 20 1HB GLU 20 15.762 -7.050 -3.663 141 1HG GLU 20 2HG GLU 20 14.486 -4.507 -2.794 142 2HG GLU 20 1HG GLU 20 15.165 -5.518 -1.518 143 H ILE 21 H ILE 21 14.069 -4.774 -6.794 144 HA ILE 21 HA ILE 21 16.620 -5.618 -7.861 145 HB ILE 21 HB ILE 21 15.547 -7.683 -8.409 146 1HG1 ILE 21 2HG1 ILE 21 15.217 -6.072 -10.943 147 2HG1 ILE 21 1HG1 ILE 21 16.810 -6.395 -10.260 148 1HG2 ILE 21 1HG2 ILE 21 13.360 -6.791 -10.075 149 2HG2 ILE 21 2HG2 ILE 21 13.192 -6.122 -8.453 150 3HG2 ILE 21 3HG2 ILE 21 13.322 -7.865 -8.677 151 1HD1 ILE 21 1HD1 ILE 21 15.401 -8.084 -11.965 152 2HD1 ILE 21 2HD1 ILE 21 15.150 -8.799 -10.373 153 3HD1 ILE 21 3HD1 ILE 21 16.787 -8.539 -10.974 154 H SER 22 H SER 22 13.409 -4.286 -8.647 155 HA SER 22 HA SER 22 14.710 -2.399 -10.555 156 1HB SER 22 2HB SER 22 12.009 -3.607 -10.322 157 2HB SER 22 1HB SER 22 12.052 -1.927 -10.848 158 HG SER 22 HG SER 22 12.316 -3.811 -12.435 159 HA PRO 23 HA PRO 23 14.064 1.021 -7.869 160 1HB PRO 23 2HB PRO 23 13.516 3.005 -9.697 161 2HB PRO 23 1HB PRO 23 15.134 2.337 -9.427 162 1HG PRO 23 2HG PRO 23 13.259 1.857 -11.698 163 2HG PRO 23 1HG PRO 23 15.028 1.783 -11.669 164 1HD PRO 23 2HD PRO 23 13.294 -0.442 -11.612 165 2HD PRO 23 1HD PRO 23 15.024 -0.464 -11.203 166 H PHE 24 H PHE 24 11.557 0.726 -10.417 167 HA PHE 24 HA PHE 24 9.548 1.756 -8.461 168 1HB PHE 24 2HB PHE 24 10.022 2.609 -11.033 169 2HB PHE 24 1HB PHE 24 8.713 1.454 -11.277 170 HD1 PHE 24 HD1 PHE 24 6.488 2.058 -10.790 171 HD2 PHE 24 HD2 PHE 24 9.720 4.368 -9.157 172 HE1 PHE 24 HE1 PHE 24 4.863 3.717 -9.921 173 HE2 PHE 24 HE2 PHE 24 8.095 6.027 -8.289 174 HZ PHE 24 HZ PHE 24 5.666 5.702 -8.670 175 H ARG 25 H ARG 25 9.945 -0.617 -7.661 176 HA ARG 25 HA ARG 25 8.968 -2.861 -9.100 177 1HB ARG 25 2HB ARG 25 9.307 -2.244 -6.182 178 2HB ARG 25 1HB ARG 25 8.451 -3.709 -6.661 179 1HG ARG 25 2HG ARG 25 10.336 -4.562 -7.829 180 2HG ARG 25 1HG ARG 25 11.152 -2.998 -7.810 181 1HD ARG 25 2HD ARG 25 10.439 -4.261 -5.191 182 2HD ARG 25 1HD ARG 25 11.821 -4.898 -6.082 183 HE ARG 25 HE ARG 25 12.908 -2.735 -5.853 184 1HH1 ARG 25 1HH2 ARG 25 11.879 -3.407 -3.045 185 2HH1 ARG 25 2HH2 ARG 25 11.209 -1.884 -2.568 186 1HH2 ARG 25 2HH1 ARG 25 11.166 -0.590 -5.791 187 2HH2 ARG 25 1HH1 ARG 25 10.804 -0.286 -4.125 188 HA PRO 26 HA PRO 26 4.641 -1.958 -7.242 189 1HB PRO 26 2HB PRO 26 4.268 0.470 -6.001 190 2HB PRO 26 1HB PRO 26 4.760 -1.000 -5.141 191 1HG PRO 26 2HG PRO 26 6.400 1.378 -5.886 192 2HG PRO 26 1HG PRO 26 6.620 0.237 -4.549 193 1HD PRO 26 2HD PRO 26 8.075 0.245 -6.969 194 2HD PRO 26 1HD PRO 26 8.034 -1.076 -5.784 195 H PHE 27 H PHE 27 3.339 -1.460 -8.974 196 HA PHE 27 HA PHE 27 2.398 -0.307 -10.785 197 1HB PHE 27 2HB PHE 27 3.628 2.030 -9.302 198 2HB PHE 27 1HB PHE 27 2.760 2.234 -10.820 199 HD1 PHE 27 HD1 PHE 27 2.435 0.960 -7.334 200 HD2 PHE 27 HD2 PHE 27 0.385 2.203 -10.898 201 HE1 PHE 27 HE1 PHE 27 0.280 0.917 -6.110 202 HE2 PHE 27 HE2 PHE 27 -1.770 2.159 -9.673 203 HZ PHE 27 HZ PHE 27 -1.823 1.517 -7.279 204 H CYS 28 H CYS 28 3.158 1.123 -12.752 205 HA CYS 28 HA CYS 28 5.914 0.213 -13.439 206 1HB CYS 28 2HB CYS 28 5.234 0.473 -15.777 207 2HB CYS 28 1HB CYS 28 4.068 -0.533 -14.919 208 H SER 29 H SER 29 3.959 3.117 -13.059 209 HA SER 29 HA SER 29 6.412 4.739 -13.457 210 1HB SER 29 2HB SER 29 4.138 4.668 -15.284 211 2HB SER 29 1HB SER 29 4.422 6.287 -14.653 212 HG SER 29 HG SER 29 5.694 5.927 -16.481 213 H LYS 30 H LYS 30 6.181 6.935 -12.576 214 HA LYS 30 HA LYS 30 4.892 7.003 -10.024 215 1HB LYS 30 2HB LYS 30 6.694 8.638 -11.476 216 2HB LYS 30 1HB LYS 30 5.323 9.666 -11.062 217 1HG LYS 30 2HG LYS 30 6.426 7.865 -8.942 218 2HG LYS 30 1HG LYS 30 7.333 9.319 -9.358 219 1HD LYS 30 2HD LYS 30 5.819 10.679 -8.368 220 2HD LYS 30 1HD LYS 30 4.455 9.813 -9.076 221 1HE LYS 30 2HE LYS 30 5.884 8.273 -7.017 222 2HE LYS 30 1HE LYS 30 5.144 9.753 -6.408 223 1HZ LYS 30 1HZ LYS 30 3.738 7.696 -8.028 224 2HZ LYS 30 2HZ LYS 30 3.043 9.084 -7.336 225 3HZ LYS 30 3HZ LYS 30 3.632 7.839 -6.340 226 H ARG 31 H ARG 31 3.941 8.264 -13.205 227 HA ARG 31 HA ARG 31 1.624 9.726 -12.360 228 1HB ARG 31 2HB ARG 31 2.735 8.708 -14.912 229 2HB ARG 31 1HB ARG 31 0.985 8.915 -14.892 230 1HG ARG 31 2HG ARG 31 2.461 11.155 -13.673 231 2HG ARG 31 1HG ARG 31 2.789 10.926 -15.392 232 1HD ARG 31 2HD ARG 31 0.542 11.236 -15.998 233 2HD ARG 31 1HD ARG 31 -0.043 10.883 -14.372 234 HE ARG 31 HE ARG 31 1.577 13.345 -14.803 235 1HH1 ARG 31 1HH2 ARG 31 -1.180 13.730 -15.837 236 2HH1 ARG 31 2HH2 ARG 31 -2.044 14.265 -14.435 237 1HH2 ARG 31 2HH1 ARG 31 0.384 13.170 -12.204 238 2HH2 ARG 31 1HH1 ARG 31 -1.157 13.945 -12.368 239 H CYS 32 H CYS 32 2.038 6.346 -13.464 240 HA CYS 32 HA CYS 32 -0.709 5.603 -13.417 241 1HB CYS 32 2HB CYS 32 1.890 4.151 -13.276 242 2HB CYS 32 1HB CYS 32 0.454 3.272 -12.753 243 H GLN 33 H GLN 33 1.780 5.349 -10.853 244 HA GLN 33 HA GLN 33 0.025 4.313 -8.831 245 1HB GLN 33 2HB GLN 33 2.565 4.361 -8.753 246 2HB GLN 33 1HB GLN 33 2.445 6.078 -8.370 247 1HG GLN 33 2HG GLN 33 1.088 5.550 -6.382 248 2HG GLN 33 1HG GLN 33 1.186 3.831 -6.765 249 1HE2 GLN 33 1HE2 GLN 33 3.387 2.816 -6.656 250 2HE2 GLN 33 2HE2 GLN 33 4.582 3.517 -5.675 251 H LEU 34 H LEU 34 0.824 7.601 -9.882 252 HA LEU 34 HA LEU 34 -0.479 9.011 -7.753 253 1HB LEU 34 2HB LEU 34 1.127 9.839 -9.692 254 2HB LEU 34 1HB LEU 34 -0.388 10.115 -10.547 255 HG LEU 34 HG LEU 34 -1.175 11.427 -8.520 256 1HD1 LEU 34 1HD1 LEU 34 1.187 10.342 -7.414 257 2HD1 LEU 34 2HD1 LEU 34 0.116 11.528 -6.669 258 3HD1 LEU 34 3HD1 LEU 34 1.504 12.065 -7.613 259 1HD2 LEU 34 1HD2 LEU 34 -0.507 12.705 -10.397 260 2HD2 LEU 34 2HD2 LEU 34 1.192 12.279 -10.189 261 3HD2 LEU 34 3HD2 LEU 34 0.416 13.386 -9.057 262 H ILE 35 H ILE 35 -1.637 8.705 -11.136 263 HA ILE 35 HA ILE 35 -4.286 9.500 -10.748 264 HB ILE 35 HB ILE 35 -3.233 7.370 -12.636 265 1HG1 ILE 35 2HG1 ILE 35 -3.953 10.189 -13.387 266 2HG1 ILE 35 1HG1 ILE 35 -2.397 9.880 -12.617 267 1HG2 ILE 35 1HG2 ILE 35 -5.531 8.860 -13.577 268 2HG2 ILE 35 2HG2 ILE 35 -5.914 8.049 -12.059 269 3HG2 ILE 35 3HG2 ILE 35 -5.326 7.114 -13.434 270 1HD1 ILE 35 1HD1 ILE 35 -3.382 9.038 -15.304 271 2HD1 ILE 35 2HD1 ILE 35 -2.322 7.921 -14.444 272 3HD1 ILE 35 3HD1 ILE 35 -1.770 9.554 -14.809 273 H ASP 36 H ASP 36 -2.869 6.322 -10.040 274 HA ASP 36 HA ASP 36 -5.165 4.749 -9.728 275 1HB ASP 36 2HB ASP 36 -2.691 4.098 -9.400 276 2HB ASP 36 1HB ASP 36 -2.897 4.650 -7.737 277 H LEU 37 H LEU 37 -3.791 7.068 -7.377 278 HA LEU 37 HA LEU 37 -5.653 6.484 -5.263 279 1HB LEU 37 2HB LEU 37 -3.645 8.554 -5.860 280 2HB LEU 37 1HB LEU 37 -5.003 9.138 -4.897 281 HG LEU 37 HG LEU 37 -3.718 6.530 -4.160 282 1HD1 LEU 37 1HD1 LEU 37 -2.559 9.287 -3.788 283 2HD1 LEU 37 2HD1 LEU 37 -1.742 7.799 -4.266 284 3HD1 LEU 37 3HD1 LEU 37 -2.258 8.024 -2.594 285 1HD2 LEU 37 1HD2 LEU 37 -5.740 7.245 -2.981 286 2HD2 LEU 37 2HD2 LEU 37 -5.012 8.812 -2.625 287 3HD2 LEU 37 3HD2 LEU 37 -4.363 7.347 -1.884 288 H GLY 38 H GLY 38 -5.597 9.271 -7.540 289 1HA GLY 38 2HA GLY 38 -7.648 9.805 -8.821 290 2HA GLY 38 1HA GLY 38 -8.589 9.252 -7.441 291 H GLU 39 H GLU 39 -5.831 11.169 -6.601 292 HA GLU 39 HA GLU 39 -7.632 13.531 -6.206 293 1HB GLU 39 2HB GLU 39 -5.626 12.209 -4.449 294 2HB GLU 39 1HB GLU 39 -5.645 13.973 -4.418 295 1HG GLU 39 2HG GLU 39 -7.300 13.669 -2.875 296 2HG GLU 39 1HG GLU 39 -8.312 13.465 -4.304 297 H TRP 40 H TRP 40 -6.302 13.171 -8.646 298 HA TRP 40 HA TRP 40 -4.368 15.431 -8.591 299 1HB TRP 40 2HB TRP 40 -3.820 13.105 -10.399 300 2HB TRP 40 1HB TRP 40 -2.695 14.292 -9.736 301 HD1 TRP 40 HD1 TRP 40 -4.245 10.952 -9.049 302 HE1 TRP 40 HE1 TRP 40 -3.364 10.023 -6.819 303 HE3 TRP 40 HE3 TRP 40 -1.827 15.071 -7.265 304 HZ2 TRP 40 HZ2 TRP 40 -1.840 10.894 -4.577 305 HZ3 TRP 40 HZ3 TRP 40 -0.662 14.996 -5.075 306 HH2 TRP 40 HH2 TRP 40 -0.666 12.913 -3.727 307 H ALA 41 H ALA 41 -5.989 13.167 -10.833 308 HA ALA 41 HA ALA 41 -6.628 15.502 -12.589 309 1HB ALA 41 1HB ALA 41 -6.139 14.209 -14.378 310 2HB ALA 41 2HB ALA 41 -7.076 12.854 -13.749 311 3HB ALA 41 3HB ALA 41 -5.406 13.087 -13.233 312 H ALA 42 H ALA 42 -8.746 16.035 -12.852 313 HA ALA 42 HA ALA 42 -10.806 14.102 -11.856 314 1HB ALA 42 1HB ALA 42 -10.511 17.068 -11.545 315 2HB ALA 42 2HB ALA 42 -11.057 15.868 -10.373 316 3HB ALA 42 3HB ALA 42 -12.140 16.399 -11.659 317 H GLU 43 H GLU 43 -10.308 13.480 -14.279 318 HA GLU 43 HA GLU 43 -11.626 15.175 -16.286 319 1HB GLU 43 2HB GLU 43 -10.090 12.607 -16.283 320 2HB GLU 43 1HB GLU 43 -11.184 12.910 -17.632 321 1HG GLU 43 2HG GLU 43 -9.917 15.333 -17.408 322 2HG GLU 43 1HG GLU 43 -8.627 14.225 -16.947 323 H GLU 44 H GLU 44 -13.721 14.963 -16.956 324 HA GLU 44 HA GLU 44 -15.565 13.277 -15.529 325 1HB GLU 44 2HB GLU 44 -15.826 15.485 -17.164 326 2HB GLU 44 1HB GLU 44 -16.451 14.187 -18.182 327 1HG GLU 44 2HG GLU 44 -17.332 14.303 -15.323 328 2HG GLU 44 1HG GLU 44 -18.039 15.441 -16.467 329 H LYS 45 H LYS 45 -14.662 13.224 -18.976 330 HA LYS 45 HA LYS 45 -15.803 10.716 -19.602 331 1HB LYS 45 2HB LYS 45 -13.877 12.573 -20.836 332 2HB LYS 45 1HB LYS 45 -13.654 10.888 -21.304 333 1HG LYS 45 2HG LYS 45 -16.026 10.737 -21.958 334 2HG LYS 45 1HG LYS 45 -16.273 12.419 -21.475 335 1HD LYS 45 2HD LYS 45 -14.274 12.902 -23.120 336 2HD LYS 45 1HD LYS 45 -14.699 11.330 -23.803 337 1HE LYS 45 2HE LYS 45 -17.052 12.126 -24.081 338 2HE LYS 45 1HE LYS 45 -16.557 13.709 -23.489 339 1HZ LYS 45 1HZ LYS 45 -16.611 13.455 -25.966 340 2HZ LYS 45 2HZ LYS 45 -15.293 12.389 -25.823 341 3HZ LYS 45 3HZ LYS 45 -15.136 14.015 -25.328 342 H ARG 46 H ARG 46 -12.303 11.357 -19.115 343 HA ARG 46 HA ARG 46 -11.591 8.582 -18.997 344 1HB ARG 46 2HB ARG 46 -10.237 11.117 -18.840 345 2HB ARG 46 1HB ARG 46 -9.651 10.062 -17.554 346 1HG ARG 46 2HG ARG 46 -8.837 8.472 -19.036 347 2HG ARG 46 1HG ARG 46 -9.981 8.916 -20.302 348 1HD ARG 46 2HD ARG 46 -8.764 10.941 -20.794 349 2HD ARG 46 1HD ARG 46 -7.715 10.714 -19.396 350 HE ARG 46 HE ARG 46 -7.271 9.564 -21.973 351 1HH1 ARG 46 2HH1 ARG 46 -8.031 7.064 -20.528 352 2HH1 ARG 46 1HH1 ARG 46 -6.520 6.552 -19.847 353 1HH2 ARG 46 1HH2 ARG 46 -4.977 9.633 -20.284 354 2HH2 ARG 46 2HH2 ARG 46 -4.789 8.006 -19.706 355 H ILE 47 H ILE 47 -10.546 7.533 -17.102 356 HA ILE 47 HA ILE 47 -12.270 7.781 -14.710 357 HB ILE 47 HB ILE 47 -10.058 5.775 -15.271 358 1HG1 ILE 47 2HG1 ILE 47 -12.826 4.839 -15.544 359 2HG1 ILE 47 1HG1 ILE 47 -12.405 6.062 -16.743 360 1HG2 ILE 47 1HG2 ILE 47 -12.485 5.506 -13.484 361 2HG2 ILE 47 2HG2 ILE 47 -10.933 6.106 -12.901 362 3HG2 ILE 47 3HG2 ILE 47 -11.060 4.468 -13.541 363 1HD1 ILE 47 1HD1 ILE 47 -11.844 3.412 -17.037 364 2HD1 ILE 47 2HD1 ILE 47 -10.347 3.975 -16.292 365 3HD1 ILE 47 3HD1 ILE 47 -10.908 4.696 -17.801 366 HA PRO 48 HA PRO 48 -8.906 10.219 -12.960 367 1HB PRO 48 2HB PRO 48 -10.350 11.067 -10.780 368 2HB PRO 48 1HB PRO 48 -10.440 11.823 -12.380 369 1HG PRO 48 2HG PRO 48 -12.406 10.022 -11.040 370 2HG PRO 48 1HG PRO 48 -12.684 11.280 -12.256 371 1HD PRO 48 2HD PRO 48 -12.614 8.504 -12.761 372 2HD PRO 48 1HD PRO 48 -12.503 9.784 -13.986 373 H SER 49 H SER 49 -10.959 8.008 -11.003 374 HA SER 49 HA SER 49 -8.845 7.645 -8.999 375 1HB SER 49 2HB SER 49 -11.619 6.584 -9.402 376 2HB SER 49 1HB SER 49 -10.521 5.690 -8.357 377 HG SER 49 HG SER 49 -11.868 7.448 -7.406 378 H SER 50 H SER 50 -10.559 5.324 -11.130 379 HA SER 50 HA SER 50 -9.817 3.408 -12.230 380 1HB SER 50 2HB SER 50 -7.901 5.412 -12.716 381 2HB SER 50 1HB SER 50 -6.973 3.975 -12.300 382 HG SER 50 HG SER 50 -7.469 4.018 -14.515 383 H GLY 51 H GLY 51 -10.177 1.915 -10.574 384 1HA GLY 51 2HA GLY 51 -9.162 0.004 -9.463 385 2HA GLY 51 1HA GLY 51 -7.724 0.982 -9.165 386 H ASP 52 H ASP 52 -8.865 3.292 -8.080 387 HA ASP 52 HA ASP 52 -9.700 2.283 -5.428 388 1HB ASP 52 2HB ASP 52 -8.272 4.607 -6.438 389 2HB ASP 52 1HB ASP 52 -9.571 5.084 -5.347 390 H LEU 53 H LEU 53 -11.753 2.536 -4.625 391 HA LEU 53 HA LEU 53 -13.875 3.445 -6.404 392 1HB LEU 53 2HB LEU 53 -13.685 1.886 -4.013 393 2HB LEU 53 1HB LEU 53 -14.787 3.222 -3.690 394 HG LEU 53 HG LEU 53 -16.038 1.322 -4.588 395 1HD1 LEU 53 1HD1 LEU 53 -15.718 3.569 -6.601 396 2HD1 LEU 53 2HD1 LEU 53 -16.815 3.556 -5.221 397 3HD1 LEU 53 3HD1 LEU 53 -17.068 2.435 -6.558 398 1HD2 LEU 53 1HD2 LEU 53 -14.691 -0.005 -5.897 399 2HD2 LEU 53 2HD2 LEU 53 -13.830 1.370 -6.591 400 3HD2 LEU 53 3HD2 LEU 53 -15.434 0.945 -7.185 401 H SER 54 H SER 54 -12.470 4.615 -3.336 402 HA SER 54 HA SER 54 -12.483 6.719 -2.325 403 1HB SER 54 2HB SER 54 -12.328 7.233 -5.246 404 2HB SER 54 1HB SER 54 -12.756 8.612 -4.238 405 HG SER 54 HG SER 54 -10.874 8.332 -3.089 406 H GLU 55 H GLU 55 -13.830 9.028 -2.608 407 HA GLU 55 HA GLU 55 -16.713 8.214 -2.610 408 1HB GLU 55 2HB GLU 55 -15.093 9.842 -0.707 409 2HB GLU 55 1HB GLU 55 -16.755 10.357 -0.995 410 1HG GLU 55 2HG GLU 55 -17.183 8.834 0.672 411 2HG GLU 55 1HG GLU 55 -17.181 7.713 -0.689 412 H SER 56 H SER 56 -14.427 10.880 -3.295 413 HA SER 56 HA SER 56 -16.570 12.157 -4.943 414 1HB SER 56 2HB SER 56 -14.482 13.236 -3.191 415 2HB SER 56 1HB SER 56 -14.477 13.980 -4.787 416 HG SER 56 HG SER 56 -16.026 14.639 -2.884 417 H ASP 57 H ASP 57 -16.292 10.984 -6.846 418 HA ASP 57 HA ASP 57 -13.952 11.711 -8.466 419 1HB ASP 57 2HB ASP 57 -13.291 9.433 -9.008 420 2HB ASP 57 1HB ASP 57 -13.231 9.626 -7.257 421 H ASP 58 H ASP 58 -14.455 11.670 -10.676 422 HA ASP 58 HA ASP 58 -17.264 11.611 -11.344 423 1HB ASP 58 2HB ASP 58 -14.838 12.492 -12.594 424 2HB ASP 58 1HB ASP 58 -15.703 11.451 -13.726 425 H TRP 59 H TRP 59 -18.370 9.754 -11.449 426 HA TRP 59 HA TRP 59 -17.082 7.199 -12.095 427 1HB TRP 59 2HB TRP 59 -19.871 8.063 -11.337 428 2HB TRP 59 1HB TRP 59 -19.567 6.431 -11.927 429 HD1 TRP 59 HD1 TRP 59 -17.626 5.029 -10.534 430 HE1 TRP 59 HE1 TRP 59 -17.184 4.999 -7.996 431 HE3 TRP 59 HE3 TRP 59 -19.951 9.377 -9.168 432 HZ2 TRP 59 HZ2 TRP 59 -17.737 6.592 -5.699 433 HZ3 TRP 59 HZ3 TRP 59 -19.969 10.091 -6.793 434 HH2 TRP 59 HH2 TRP 59 -18.866 8.704 -5.060 435 H SER 60 H SER 60 -16.415 7.866 -14.316 436 HA SER 60 HA SER 60 -18.646 8.091 -16.261 437 1HB SER 60 2HB SER 60 -16.288 9.437 -16.118 438 2HB SER 60 1HB SER 60 -15.858 8.153 -17.240 439 HG SER 60 HG SER 60 -17.695 8.741 -18.478 440 H GLU 61 H GLU 61 -19.410 6.011 -16.609 441 HA GLU 61 HA GLU 61 -17.504 3.802 -17.060 442 1HB GLU 61 2HB GLU 61 -20.328 4.030 -16.383 443 2HB GLU 61 1HB GLU 61 -20.085 2.921 -17.732 444 1HG GLU 61 2HG GLU 61 -18.143 1.956 -16.281 445 2HG GLU 61 1HG GLU 61 -18.966 2.769 -14.942 446 H GLU 62 H GLU 62 -16.732 3.369 -19.056 447 HA GLU 62 HA GLU 62 -16.565 3.253 -21.390 448 1HB GLU 62 2HB GLU 62 -19.403 3.107 -20.851 449 2HB GLU 62 1HB GLU 62 -19.127 4.051 -22.314 450 1HG GLU 62 2HG GLU 62 -17.665 2.221 -23.175 451 2HG GLU 62 1HG GLU 62 -18.057 1.269 -21.744 452 HA PRO 63 HA PRO 63 -16.086 7.815 -21.349 453 1HB PRO 63 2HB PRO 63 -13.446 7.711 -22.135 454 2HB PRO 63 1HB PRO 63 -13.978 7.646 -20.447 455 1HG PRO 63 2HG PRO 63 -12.979 5.437 -22.188 456 2HG PRO 63 1HG PRO 63 -12.902 5.601 -20.425 457 1HD PRO 63 2HD PRO 63 -14.728 3.985 -21.836 458 2HD PRO 63 1HD PRO 63 -14.878 4.472 -20.134 459 H LYS 64 H LYS 64 -15.154 5.392 -23.766 460 HA LYS 64 HA LYS 64 -16.040 7.269 -25.905 461 1HB LYS 64 2HB LYS 64 -13.360 6.630 -25.448 462 2HB LYS 64 1HB LYS 64 -13.839 5.541 -26.747 463 1HG LYS 64 2HG LYS 64 -14.981 7.852 -27.612 464 2HG LYS 64 1HG LYS 64 -13.578 8.493 -26.754 465 1HD LYS 64 2HD LYS 64 -12.270 7.918 -28.494 466 2HD LYS 64 1HD LYS 64 -12.688 6.227 -28.225 467 1HE LYS 64 2HE LYS 64 -14.869 7.625 -29.540 468 2HE LYS 64 1HE LYS 64 -13.371 7.779 -30.459 469 1HZ LYS 64 1HZ LYS 64 -13.096 5.367 -30.316 470 2HZ LYS 64 2HZ LYS 64 -14.546 5.787 -31.095 471 3HZ LYS 64 3HZ LYS 64 -14.573 5.240 -29.487 472 H GLN 65 HN GLN 65 -14.974 3.910 -25.253 473 HA GLN 65 HA GLN 65 -17.365 2.938 -26.748 474 1HB GLN 65 2HB GLN 65 -15.855 1.106 -27.694 475 2HB GLN 65 1HB GLN 65 -15.627 2.717 -28.375 476 1HG GLN 65 2HG GLN 65 -13.626 3.078 -27.169 477 2HG GLN 65 1HG GLN 65 -13.977 1.784 -26.023 478 1HE2 GLN 65 1HE2 GLN 65 -12.605 2.500 -29.172 479 2HE2 GLN 65 2HE2 GLN 65 -12.115 0.915 -29.532 Start of MODEL 17 1 H MET 1 1H MET 1 6.907 -19.922 -2.351 2 HA MET 1 HA MET 1 7.537 -19.065 -0.153 3 1HB MET 1 2HB MET 1 7.739 -21.426 0.797 4 2HB MET 1 1HB MET 1 9.321 -21.511 0.020 5 1HG MET 1 2HG MET 1 10.273 -20.132 1.567 6 2HG MET 1 1HG MET 1 8.886 -19.040 1.577 7 1HE MET 1 1HE MET 1 7.189 -18.937 2.709 8 2HE MET 1 2HE MET 1 6.998 -19.497 4.368 9 3HE MET 1 3HE MET 1 6.270 -20.412 3.047 10 H SER 2 H SER 2 9.414 -17.766 -0.050 11 HA SER 2 HA SER 2 11.169 -16.542 -1.004 12 1HB SER 2 2HB SER 2 12.037 -19.173 -0.610 13 2HB SER 2 1HB SER 2 12.535 -18.800 -2.258 14 HG SER 2 HG SER 2 14.075 -17.689 -1.372 15 H GLU 3 H GLU 3 9.176 -16.086 -2.548 16 HA GLU 3 HA GLU 3 10.086 -16.667 -5.337 17 1HB GLU 3 2HB GLU 3 7.720 -16.701 -6.032 18 2HB GLU 3 1HB GLU 3 8.035 -17.942 -4.823 19 1HG GLU 3 2HG GLU 3 7.171 -15.287 -3.779 20 2HG GLU 3 1HG GLU 3 5.953 -16.215 -4.647 21 H THR 4 H THR 4 9.936 -14.974 -6.802 22 HA THR 4 HA THR 4 9.639 -12.279 -5.604 23 HB THR 4 HB THR 4 10.592 -13.081 -8.380 24 HG1 THR 4 HG1 THR 4 12.171 -13.790 -7.127 25 1HG2 THR 4 1HG2 THR 4 11.353 -10.837 -8.604 26 2HG2 THR 4 2HG2 THR 4 11.086 -10.497 -6.893 27 3HG2 THR 4 3HG2 THR 4 9.709 -10.711 -7.977 28 H ILE 5 H ILE 5 7.466 -11.791 -5.528 29 HA ILE 5 HA ILE 5 5.632 -12.644 -7.638 30 HB ILE 5 HB ILE 5 3.918 -11.444 -6.350 31 1HG1 ILE 5 2HG1 ILE 5 5.467 -10.676 -4.054 32 2HG1 ILE 5 1HG1 ILE 5 6.157 -9.900 -5.480 33 1HG2 ILE 5 1HG2 ILE 5 4.790 -13.718 -5.640 34 2HG2 ILE 5 2HG2 ILE 5 4.022 -12.782 -4.357 35 3HG2 ILE 5 3HG2 ILE 5 5.782 -12.882 -4.445 36 1HD1 ILE 5 1HD1 ILE 5 4.461 -8.411 -4.698 37 2HD1 ILE 5 2HD1 ILE 5 3.311 -9.731 -4.470 38 3HD1 ILE 5 3HD1 ILE 5 3.767 -9.229 -6.100 39 H THR 6 H THR 6 4.331 -11.103 -8.907 40 HA THR 6 HA THR 6 5.881 -8.627 -9.559 41 HB THR 6 HB THR 6 4.929 -8.917 -11.888 42 HG1 THR 6 HG1 THR 6 3.452 -10.386 -12.049 43 1HG2 THR 6 1HG2 THR 6 7.224 -9.555 -11.425 44 2HG2 THR 6 2HG2 THR 6 6.501 -10.775 -12.476 45 3HG2 THR 6 3HG2 THR 6 6.699 -11.099 -10.752 46 H VAL 7 H VAL 7 4.797 -6.797 -9.113 47 HA VAL 7 HA VAL 7 1.907 -6.849 -8.569 48 HB VAL 7 HB VAL 7 3.966 -4.614 -8.495 49 1HG1 VAL 7 1HG1 VAL 7 1.041 -4.609 -7.683 50 2HG1 VAL 7 2HG1 VAL 7 1.753 -3.694 -9.014 51 3HG1 VAL 7 3HG1 VAL 7 2.186 -3.310 -7.347 52 1HG2 VAL 7 1HG2 VAL 7 2.471 -5.661 -6.116 53 2HG2 VAL 7 2HG2 VAL 7 4.095 -4.974 -6.205 54 3HG2 VAL 7 3HG2 VAL 7 3.803 -6.626 -6.755 55 H ASN 8 H ASN 8 0.506 -6.697 -10.264 56 HA ASN 8 HA ASN 8 1.386 -5.584 -12.837 57 1HB ASN 8 2HB ASN 8 -0.268 -7.602 -12.350 58 2HB ASN 8 1HB ASN 8 -1.470 -6.311 -12.292 59 1HD2 ASN 8 1HD2 ASN 8 -1.740 -4.974 -14.284 60 2HD2 ASN 8 2HD2 ASN 8 -1.245 -5.586 -15.788 61 H CYS 9 H CYS 9 1.012 -3.538 -13.518 62 HA CYS 9 HA CYS 9 -0.105 -1.551 -11.752 63 1HB CYS 9 2HB CYS 9 1.652 -1.240 -13.624 64 2HB CYS 9 1HB CYS 9 0.278 -1.195 -14.729 65 HA PRO 10 HA PRO 10 -4.323 -2.398 -13.008 66 1HB PRO 10 2HB PRO 10 -5.451 -0.781 -11.094 67 2HB PRO 10 1HB PRO 10 -4.869 -2.423 -10.771 68 1HG PRO 10 2HG PRO 10 -3.638 0.184 -10.021 69 2HG PRO 10 1HG PRO 10 -3.477 -1.397 -9.240 70 1HD PRO 10 2HD PRO 10 -1.575 -0.184 -10.956 71 2HD PRO 10 1HD PRO 10 -1.573 -1.878 -10.419 72 H THR 11 H THR 11 -2.712 0.706 -12.814 73 HA THR 11 HA THR 11 -4.872 2.325 -13.850 74 HB THR 11 HB THR 11 -1.875 2.747 -13.697 75 HG1 THR 11 HG1 THR 11 -2.414 3.322 -11.772 76 1HG2 THR 11 1HG2 THR 11 -3.936 4.260 -15.140 77 2HG2 THR 11 2HG2 THR 11 -2.178 4.358 -15.258 78 3HG2 THR 11 3HG2 THR 11 -3.028 5.241 -13.988 79 H CYS 12 H CYS 12 -1.913 0.991 -15.410 80 HA CYS 12 HA CYS 12 -3.231 1.476 -18.051 81 1HB CYS 12 2HB CYS 12 -0.997 1.447 -19.023 82 2HB CYS 12 1HB CYS 12 -1.030 2.585 -17.677 83 H GLY 13 H GLY 13 -1.641 -1.021 -16.085 84 1HA GLY 13 2HA GLY 13 -2.328 -3.356 -16.272 85 2HA GLY 13 1HA GLY 13 -2.736 -3.063 -17.964 86 H LYS 14 H LYS 14 0.054 -3.124 -15.735 87 HA LYS 14 HA LYS 14 1.665 -4.395 -17.882 88 1HB LYS 14 2HB LYS 14 1.930 -1.764 -17.677 89 2HB LYS 14 1HB LYS 14 2.945 -2.194 -16.299 90 1HG LYS 14 2HG LYS 14 3.859 -3.957 -18.170 91 2HG LYS 14 1HG LYS 14 3.426 -2.583 -19.191 92 1HD LYS 14 2HD LYS 14 5.071 -1.255 -18.329 93 2HD LYS 14 1HD LYS 14 4.882 -1.907 -16.700 94 1HE LYS 14 2HE LYS 14 5.845 -4.088 -18.084 95 2HE LYS 14 1HE LYS 14 6.697 -2.750 -18.858 96 1HZ LYS 14 1HZ LYS 14 8.013 -2.597 -17.099 97 2HZ LYS 14 2HZ LYS 14 7.225 -3.921 -16.380 98 3HZ LYS 14 3HZ LYS 14 6.686 -2.339 -16.070 99 H THR 15 H THR 15 2.754 -6.101 -17.027 100 HA THR 15 HA THR 15 2.693 -6.620 -14.166 101 HB THR 15 HB THR 15 4.308 -8.093 -16.270 102 HG1 THR 15 HG1 THR 15 2.489 -8.799 -16.997 103 1HG2 THR 15 1HG2 THR 15 4.905 -8.715 -14.011 104 2HG2 THR 15 2HG2 THR 15 3.905 -10.004 -14.684 105 3HG2 THR 15 3HG2 THR 15 3.206 -8.845 -13.550 106 H VAL 16 H VAL 16 4.078 -5.691 -12.760 107 HA VAL 16 HA VAL 16 6.854 -5.054 -13.695 108 HB VAL 16 HB VAL 16 5.309 -3.675 -11.475 109 1HG1 VAL 16 1HG1 VAL 16 7.885 -2.970 -12.916 110 2HG1 VAL 16 2HG1 VAL 16 7.772 -3.607 -11.274 111 3HG1 VAL 16 3HG1 VAL 16 7.119 -2.011 -11.649 112 1HG2 VAL 16 1HG2 VAL 16 4.867 -3.448 -14.230 113 2HG2 VAL 16 2HG2 VAL 16 5.923 -2.086 -13.848 114 3HG2 VAL 16 3HG2 VAL 16 4.387 -2.278 -12.999 115 H VAL 17 H VAL 17 8.484 -6.051 -12.574 116 HA VAL 17 HA VAL 17 7.947 -8.129 -10.702 117 HB VAL 17 HB VAL 17 10.010 -7.954 -12.110 118 1HG1 VAL 17 1HG1 VAL 17 10.828 -5.889 -10.042 119 2HG1 VAL 17 2HG1 VAL 17 10.448 -5.546 -11.731 120 3HG1 VAL 17 3HG1 VAL 17 11.855 -6.532 -11.325 121 1HG2 VAL 17 1HG2 VAL 17 10.593 -8.146 -9.139 122 2HG2 VAL 17 2HG2 VAL 17 11.490 -8.920 -10.447 123 3HG2 VAL 17 3HG2 VAL 17 9.840 -9.433 -10.084 124 H TRP 18 H TRP 18 7.999 -8.215 -8.469 125 HA TRP 18 HA TRP 18 8.292 -5.608 -7.023 126 1HB TRP 18 2HB TRP 18 5.955 -6.278 -7.013 127 2HB TRP 18 1HB TRP 18 6.381 -7.907 -6.496 128 HD1 TRP 18 HD1 TRP 18 6.578 -8.338 -3.977 129 HE1 TRP 18 HE1 TRP 18 6.489 -6.864 -1.865 130 HE3 TRP 18 HE3 TRP 18 6.593 -3.708 -6.131 131 HZ2 TRP 18 HZ2 TRP 18 6.434 -4.089 -1.180 132 HZ3 TRP 18 HZ3 TRP 18 6.522 -1.669 -4.726 133 HH2 TRP 18 HH2 TRP 18 6.443 -1.853 -2.255 134 H GLY 19 H GLY 19 9.305 -5.704 -4.955 135 1HA GLY 19 2HA GLY 19 10.109 -7.367 -3.149 136 2HA GLY 19 1HA GLY 19 10.917 -8.180 -4.490 137 H GLU 20 H GLU 20 12.853 -7.348 -5.258 138 HA GLU 20 HA GLU 20 13.733 -4.647 -4.596 139 1HB GLU 20 2HB GLU 20 14.142 -6.265 -2.534 140 2HB GLU 20 1HB GLU 20 15.526 -6.785 -3.494 141 1HG GLU 20 2HG GLU 20 16.297 -4.989 -2.095 142 2HG GLU 20 1HG GLU 20 16.151 -4.334 -3.725 143 H ILE 21 H ILE 21 13.854 -4.665 -6.923 144 HA ILE 21 HA ILE 21 16.466 -5.543 -7.914 145 HB ILE 21 HB ILE 21 15.279 -7.596 -8.318 146 1HG1 ILE 21 2HG1 ILE 21 15.134 -6.119 -10.953 147 2HG1 ILE 21 1HG1 ILE 21 16.674 -6.541 -10.203 148 1HG2 ILE 21 1HG2 ILE 21 12.987 -6.804 -8.083 149 2HG2 ILE 21 2HG2 ILE 21 13.158 -7.617 -9.639 150 3HG2 ILE 21 3HG2 ILE 21 13.129 -5.856 -9.563 151 1HD1 ILE 21 1HD1 ILE 21 14.635 -8.304 -11.462 152 2HD1 ILE 21 2HD1 ILE 21 15.437 -8.932 -10.021 153 3HD1 ILE 21 3HD1 ILE 21 16.392 -8.460 -11.429 154 H SER 22 H SER 22 13.298 -4.132 -8.721 155 HA SER 22 HA SER 22 14.652 -2.367 -10.711 156 1HB SER 22 2HB SER 22 12.350 -1.921 -11.552 157 2HB SER 22 1HB SER 22 12.758 -3.632 -11.613 158 HG SER 22 HG SER 22 10.658 -2.696 -10.548 159 HA PRO 23 HA PRO 23 14.023 1.155 -8.153 160 1HB PRO 23 2HB PRO 23 13.542 3.088 -10.055 161 2HB PRO 23 1HB PRO 23 15.144 2.405 -9.728 162 1HG PRO 23 2HG PRO 23 13.306 1.873 -12.021 163 2HG PRO 23 1HG PRO 23 15.074 1.782 -11.955 164 1HD PRO 23 2HD PRO 23 13.322 -0.422 -11.864 165 2HD PRO 23 1HD PRO 23 15.038 -0.447 -11.405 166 H PHE 24 H PHE 24 11.545 0.699 -10.687 167 HA PHE 24 HA PHE 24 9.524 1.917 -8.856 168 1HB PHE 24 2HB PHE 24 10.028 2.484 -11.516 169 2HB PHE 24 1HB PHE 24 8.680 1.354 -11.621 170 HD1 PHE 24 HD1 PHE 24 9.803 4.602 -10.249 171 HD2 PHE 24 HD2 PHE 24 6.485 1.928 -10.780 172 HE1 PHE 24 HE1 PHE 24 8.243 6.402 -9.558 173 HE2 PHE 24 HE2 PHE 24 4.925 3.727 -10.089 174 HZ PHE 24 HZ PHE 24 5.803 5.964 -9.478 175 H ARG 25 H ARG 25 9.926 -0.376 -7.838 176 HA ARG 25 HA ARG 25 8.952 -2.742 -9.072 177 1HB ARG 25 2HB ARG 25 9.292 -1.873 -6.216 178 2HB ARG 25 1HB ARG 25 8.467 -3.390 -6.573 179 1HG ARG 25 2HG ARG 25 10.375 -4.265 -7.726 180 2HG ARG 25 1HG ARG 25 11.173 -2.692 -7.732 181 1HD ARG 25 2HD ARG 25 10.406 -3.835 -5.083 182 2HD ARG 25 1HD ARG 25 11.777 -4.564 -5.920 183 HE ARG 25 HE ARG 25 12.988 -2.519 -5.652 184 1HH1 ARG 25 1HH2 ARG 25 11.282 -2.668 -3.047 185 2HH1 ARG 25 2HH2 ARG 25 10.787 -1.013 -2.915 186 1HH2 ARG 25 2HH1 ARG 25 11.674 -0.212 -6.179 187 2HH2 ARG 25 1HH1 ARG 25 11.010 0.381 -4.693 188 HA PRO 26 HA PRO 26 4.638 -1.735 -7.246 189 1HB PRO 26 2HB PRO 26 4.247 0.782 -6.203 190 2HB PRO 26 1HB PRO 26 4.765 -0.609 -5.233 191 1HG PRO 26 2HG PRO 26 6.371 1.717 -6.192 192 2HG PRO 26 1HG PRO 26 6.613 0.698 -4.762 193 1HD PRO 26 2HD PRO 26 8.056 0.511 -7.179 194 2HD PRO 26 1HD PRO 26 8.023 -0.712 -5.892 195 H PHE 27 H PHE 27 3.484 -1.515 -9.126 196 HA PHE 27 HA PHE 27 2.519 -0.557 -11.033 197 1HB PHE 27 2HB PHE 27 3.520 2.105 -9.974 198 2HB PHE 27 1HB PHE 27 2.211 1.838 -11.123 199 HD1 PHE 27 HD1 PHE 27 2.895 2.542 -7.778 200 HD2 PHE 27 HD2 PHE 27 0.370 0.057 -10.206 201 HE1 PHE 27 HE1 PHE 27 1.294 2.332 -5.897 202 HE2 PHE 27 HE2 PHE 27 -1.232 -0.151 -8.324 203 HZ PHE 27 HZ PHE 27 -0.771 0.987 -6.170 204 H CYS 28 H CYS 28 3.379 1.343 -12.832 205 HA CYS 28 HA CYS 28 6.182 0.458 -13.407 206 1HB CYS 28 2HB CYS 28 5.596 0.657 -15.808 207 2HB CYS 28 1HB CYS 28 4.579 -0.516 -14.973 208 H SER 29 H SER 29 3.966 3.241 -13.435 209 HA SER 29 HA SER 29 6.365 4.979 -13.813 210 1HB SER 29 2HB SER 29 4.119 4.690 -15.613 211 2HB SER 29 1HB SER 29 4.198 6.338 -14.998 212 HG SER 29 HG SER 29 5.504 5.997 -16.869 213 H LYS 30 H LYS 30 5.907 7.277 -13.161 214 HA LYS 30 HA LYS 30 4.807 7.391 -10.512 215 1HB LYS 30 2HB LYS 30 6.275 9.130 -12.271 216 2HB LYS 30 1HB LYS 30 4.909 10.021 -11.603 217 1HG LYS 30 2HG LYS 30 6.457 8.321 -9.709 218 2HG LYS 30 1HG LYS 30 7.246 9.786 -10.295 219 1HD LYS 30 2HD LYS 30 5.857 11.149 -9.125 220 2HD LYS 30 1HD LYS 30 4.434 10.178 -9.508 221 1HE LYS 30 2HE LYS 30 5.971 8.546 -7.825 222 2HE LYS 30 1HE LYS 30 6.081 10.156 -7.111 223 1HZ LYS 30 1HZ LYS 30 4.157 9.046 -6.254 224 2HZ LYS 30 2HZ LYS 30 3.593 8.688 -7.817 225 3HZ LYS 30 3HZ LYS 30 3.635 10.299 -7.271 226 H ARG 31 H ARG 31 3.565 8.479 -13.678 227 HA ARG 31 HA ARG 31 1.177 9.724 -12.721 228 1HB ARG 31 2HB ARG 31 2.327 9.050 -15.263 229 2HB ARG 31 1HB ARG 31 0.646 8.518 -15.252 230 1HG ARG 31 2HG ARG 31 1.252 11.227 -14.144 231 2HG ARG 31 1HG ARG 31 1.309 11.025 -15.894 232 1HD ARG 31 2HD ARG 31 -0.935 11.435 -15.743 233 2HD ARG 31 1HD ARG 31 -1.010 9.721 -15.339 234 HE ARG 31 HE ARG 31 -1.007 10.423 -12.927 235 1HH1 ARG 31 1HH2 ARG 31 -0.226 13.308 -13.501 236 2HH1 ARG 31 2HH2 ARG 31 -1.744 14.119 -13.297 237 1HH2 ARG 31 2HH1 ARG 31 -3.625 11.205 -13.484 238 2HH2 ARG 31 1HH1 ARG 31 -3.672 12.925 -13.286 239 H CYS 32 H CYS 32 1.867 6.353 -13.652 240 HA CYS 32 HA CYS 32 -0.812 5.371 -13.416 241 1HB CYS 32 2HB CYS 32 1.899 4.058 -13.181 242 2HB CYS 32 1HB CYS 32 0.407 3.143 -12.964 243 H GLN 33 H GLN 33 1.881 5.440 -11.047 244 HA GLN 33 HA GLN 33 0.385 4.317 -8.867 245 1HB GLN 33 2HB GLN 33 2.879 4.511 -8.907 246 2HB GLN 33 1HB GLN 33 2.717 6.259 -8.732 247 1HG GLN 33 2HG GLN 33 1.650 6.016 -6.580 248 2HG GLN 33 1HG GLN 33 1.550 4.265 -6.769 249 1HE2 GLN 33 1HE2 GLN 33 3.791 6.951 -6.139 250 2HE2 GLN 33 2HE2 GLN 33 5.079 5.979 -5.614 251 H LEU 34 H LEU 34 0.821 7.633 -10.048 252 HA LEU 34 HA LEU 34 -0.419 9.022 -7.881 253 1HB LEU 34 2HB LEU 34 0.844 9.885 -10.051 254 2HB LEU 34 1HB LEU 34 -0.779 9.928 -10.729 255 HG LEU 34 HG LEU 34 -1.515 11.379 -8.841 256 1HD1 LEU 34 1HD1 LEU 34 -0.199 11.788 -7.028 257 2HD1 LEU 34 2HD1 LEU 34 1.238 12.038 -8.022 258 3HD1 LEU 34 3HD1 LEU 34 0.748 10.403 -7.573 259 1HD2 LEU 34 1HD2 LEU 34 0.349 13.252 -9.483 260 2HD2 LEU 34 2HD2 LEU 34 -0.984 12.802 -10.550 261 3HD2 LEU 34 3HD2 LEU 34 0.614 12.091 -10.786 262 H ILE 35 H ILE 35 -1.869 8.280 -11.074 263 HA ILE 35 HA ILE 35 -4.548 8.795 -10.470 264 HB ILE 35 HB ILE 35 -3.430 6.604 -12.251 265 1HG1 ILE 35 2HG1 ILE 35 -4.521 9.266 -13.145 266 2HG1 ILE 35 1HG1 ILE 35 -2.849 9.137 -12.597 267 1HG2 ILE 35 1HG2 ILE 35 -5.952 7.718 -13.104 268 2HG2 ILE 35 2HG2 ILE 35 -6.106 7.092 -11.463 269 3HG2 ILE 35 3HG2 ILE 35 -5.547 6.036 -12.761 270 1HD1 ILE 35 1HD1 ILE 35 -3.544 8.729 -15.161 271 2HD1 ILE 35 2HD1 ILE 35 -3.793 7.092 -14.550 272 3HD1 ILE 35 3HD1 ILE 35 -2.209 7.858 -14.401 273 H ASP 36 H ASP 36 -2.662 5.892 -9.668 274 HA ASP 36 HA ASP 36 -4.686 4.105 -8.925 275 1HB ASP 36 2HB ASP 36 -1.861 4.455 -8.320 276 2HB ASP 36 1HB ASP 36 -2.737 3.793 -6.942 277 H LEU 37 H LEU 37 -3.285 6.724 -6.916 278 HA LEU 37 HA LEU 37 -4.725 6.179 -4.526 279 1HB LEU 37 2HB LEU 37 -3.331 8.511 -5.689 280 2HB LEU 37 1HB LEU 37 -4.553 8.899 -4.481 281 HG LEU 37 HG LEU 37 -2.588 6.703 -3.916 282 1HD1 LEU 37 1HD1 LEU 37 -2.051 9.678 -3.857 283 2HD1 LEU 37 2HD1 LEU 37 -1.068 8.406 -4.586 284 3HD1 LEU 37 3HD1 LEU 37 -1.163 8.552 -2.830 285 1HD2 LEU 37 1HD2 LEU 37 -3.126 8.540 -1.766 286 2HD2 LEU 37 2HD2 LEU 37 -3.579 6.842 -1.893 287 3HD2 LEU 37 3HD2 LEU 37 -4.655 8.091 -2.525 288 H GLY 38 H GLY 38 -5.556 8.672 -6.982 289 1HA GLY 38 2HA GLY 38 -7.893 8.532 -7.927 290 2HA GLY 38 1HA GLY 38 -8.435 8.190 -6.288 291 H GLU 39 H GLU 39 -5.941 10.606 -6.630 292 HA GLU 39 HA GLU 39 -8.019 12.737 -6.262 293 1HB GLU 39 2HB GLU 39 -5.324 12.386 -4.923 294 2HB GLU 39 1HB GLU 39 -6.199 13.917 -4.905 295 1HG GLU 39 2HG GLU 39 -7.283 13.140 -3.082 296 2HG GLU 39 1HG GLU 39 -8.129 12.041 -4.171 297 H TRP 40 H TRP 40 -6.694 11.818 -8.775 298 HA TRP 40 HA TRP 40 -5.600 14.446 -9.621 299 1HB TRP 40 2HB TRP 40 -4.180 12.127 -10.776 300 2HB TRP 40 1HB TRP 40 -3.551 13.691 -10.257 301 HD1 TRP 40 HD1 TRP 40 -4.365 10.209 -8.988 302 HE1 TRP 40 HE1 TRP 40 -3.320 9.902 -6.660 303 HE3 TRP 40 HE3 TRP 40 -2.777 14.964 -8.092 304 HZ2 TRP 40 HZ2 TRP 40 -1.992 11.447 -4.675 305 HZ3 TRP 40 HZ3 TRP 40 -1.618 15.525 -5.973 306 HH2 TRP 40 HH2 TRP 40 -1.225 13.774 -4.260 307 H ALA 41 H ALA 41 -6.520 15.052 -11.534 308 HA ALA 41 HA ALA 41 -7.594 12.908 -13.320 309 1HB ALA 41 1HB ALA 41 -9.639 13.667 -12.650 310 2HB ALA 41 2HB ALA 41 -9.312 14.968 -13.798 311 3HB ALA 41 3HB ALA 41 -8.991 15.206 -12.078 312 H ALA 42 H ALA 42 -5.583 13.210 -14.509 313 HA ALA 42 HA ALA 42 -5.528 15.737 -16.108 314 1HB ALA 42 1HB ALA 42 -3.521 15.387 -14.653 315 2HB ALA 42 2HB ALA 42 -3.128 15.427 -16.375 316 3HB ALA 42 3HB ALA 42 -3.201 13.883 -15.521 317 H GLU 43 H GLU 43 -4.332 12.374 -16.420 318 HA GLU 43 HA GLU 43 -5.207 12.426 -19.271 319 1HB GLU 43 2HB GLU 43 -3.804 10.345 -19.479 320 2HB GLU 43 1HB GLU 43 -2.893 11.785 -19.030 321 1HG GLU 43 2HG GLU 43 -2.327 10.935 -17.003 322 2HG GLU 43 1HG GLU 43 -3.941 10.284 -16.722 323 H GLU 44 H GLU 44 -5.736 10.737 -16.218 324 HA GLU 44 HA GLU 44 -7.825 9.061 -17.558 325 1HB GLU 44 2HB GLU 44 -5.723 8.193 -16.020 326 2HB GLU 44 1HB GLU 44 -7.003 8.342 -14.813 327 1HG GLU 44 2HG GLU 44 -8.498 7.044 -16.427 328 2HG GLU 44 1HG GLU 44 -7.038 6.696 -17.355 329 H LYS 45 H LYS 45 -9.901 8.916 -16.476 330 HA LYS 45 HA LYS 45 -10.430 11.245 -14.684 331 1HB LYS 45 2HB LYS 45 -11.965 9.892 -16.809 332 2HB LYS 45 1HB LYS 45 -12.905 10.272 -15.367 333 1HG LYS 45 2HG LYS 45 -11.472 12.585 -15.700 334 2HG LYS 45 1HG LYS 45 -11.732 12.088 -17.376 335 1HD LYS 45 2HD LYS 45 -14.123 12.001 -17.059 336 2HD LYS 45 1HD LYS 45 -13.953 12.232 -15.317 337 1HE LYS 45 2HE LYS 45 -13.026 14.481 -15.685 338 2HE LYS 45 1HE LYS 45 -13.142 14.251 -17.435 339 1HZ LYS 45 1HZ LYS 45 -15.364 14.555 -17.419 340 2HZ LYS 45 2HZ LYS 45 -15.044 15.400 -15.979 341 3HZ LYS 45 3HZ LYS 45 -15.586 13.791 -15.916 342 H ARG 46 H ARG 46 -10.363 10.674 -12.576 343 HA ARG 46 HA ARG 46 -11.307 7.967 -11.768 344 1HB ARG 46 2HB ARG 46 -9.048 9.373 -11.046 345 2HB ARG 46 1HB ARG 46 -10.133 9.698 -9.693 346 1HG ARG 46 2HG ARG 46 -9.024 7.693 -9.088 347 2HG ARG 46 1HG ARG 46 -10.591 7.153 -9.693 348 1HD ARG 46 2HD ARG 46 -9.675 6.137 -11.519 349 2HD ARG 46 1HD ARG 46 -8.487 7.419 -11.759 350 HE ARG 46 HE ARG 46 -7.270 6.321 -9.750 351 1HH1 ARG 46 1HH2 ARG 46 -7.264 4.947 -12.565 352 2HH1 ARG 46 2HH2 ARG 46 -7.425 3.292 -12.090 353 1HH2 ARG 46 2HH1 ARG 46 -8.390 4.048 -8.837 354 2HH2 ARG 46 1HH1 ARG 46 -8.058 2.779 -9.968 355 H ILE 47 H ILE 47 -11.634 11.394 -10.761 356 HA ILE 47 HA ILE 47 -13.828 10.885 -8.941 357 HB ILE 47 HB ILE 47 -14.110 13.380 -9.011 358 1HG1 ILE 47 2HG1 ILE 47 -11.648 13.563 -10.708 359 2HG1 ILE 47 1HG1 ILE 47 -13.188 13.295 -11.523 360 1HG2 ILE 47 1HG2 ILE 47 -12.559 12.528 -7.399 361 2HG2 ILE 47 2HG2 ILE 47 -11.740 13.870 -8.203 362 3HG2 ILE 47 3HG2 ILE 47 -11.343 12.208 -8.639 363 1HD1 ILE 47 1HD1 ILE 47 -12.172 15.754 -10.618 364 2HD1 ILE 47 2HD1 ILE 47 -13.458 15.337 -9.482 365 3HD1 ILE 47 3HD1 ILE 47 -13.805 15.436 -11.210 366 HA PRO 48 HA PRO 48 -17.102 10.736 -11.939 367 1HB PRO 48 2HB PRO 48 -19.203 10.986 -10.180 368 2HB PRO 48 1HB PRO 48 -18.289 9.486 -10.408 369 1HG PRO 48 2HG PRO 48 -18.181 11.420 -8.140 370 2HG PRO 48 1HG PRO 48 -17.823 9.686 -8.153 371 1HD PRO 48 2HD PRO 48 -15.905 11.770 -8.168 372 2HD PRO 48 1HD PRO 48 -15.588 10.058 -8.520 373 H SER 49 H SER 49 -17.370 13.241 -9.367 374 HA SER 49 HA SER 49 -18.750 15.049 -11.275 375 1HB SER 49 2HB SER 49 -19.009 16.528 -9.259 376 2HB SER 49 1HB SER 49 -19.737 14.939 -9.055 377 HG SER 49 HG SER 49 -18.556 15.173 -7.258 378 H SER 50 H SER 50 -17.490 16.362 -12.500 379 HA SER 50 HA SER 50 -14.763 17.049 -11.511 380 1HB SER 50 2HB SER 50 -15.569 16.046 -13.940 381 2HB SER 50 1HB SER 50 -15.463 17.773 -14.280 382 HG SER 50 HG SER 50 -13.447 16.905 -14.595 383 H GLY 51 H GLY 51 -17.703 18.546 -12.884 384 1HA GLY 51 2HA GLY 51 -18.519 20.725 -12.270 385 2HA GLY 51 1HA GLY 51 -16.928 21.109 -11.608 386 H ASP 52 H ASP 52 -18.538 20.397 -14.709 387 HA ASP 52 HA ASP 52 -16.499 22.079 -16.094 388 1HB ASP 52 2HB ASP 52 -17.622 19.557 -16.693 389 2HB ASP 52 1HB ASP 52 -18.288 20.680 -17.879 390 H LEU 53 H LEU 53 -20.045 21.582 -15.838 391 HA LEU 53 HA LEU 53 -20.376 24.359 -16.920 392 1HB LEU 53 2HB LEU 53 -21.500 21.857 -17.881 393 2HB LEU 53 1HB LEU 53 -22.769 22.997 -17.436 394 HG LEU 53 HG LEU 53 -20.650 24.368 -18.851 395 1HD1 LEU 53 1HD1 LEU 53 -21.337 23.178 -21.085 396 2HD1 LEU 53 2HD1 LEU 53 -21.738 21.821 -20.036 397 3HD1 LEU 53 3HD1 LEU 53 -20.086 22.450 -20.075 398 1HD2 LEU 53 1HD2 LEU 53 -22.473 25.278 -20.062 399 2HD2 LEU 53 2HD2 LEU 53 -23.176 24.915 -18.484 400 3HD2 LEU 53 3HD2 LEU 53 -23.457 23.830 -19.847 401 H SER 54 H SER 54 -20.387 23.046 -14.069 402 HA SER 54 HA SER 54 -23.133 23.433 -13.165 403 1HB SER 54 2HB SER 54 -20.980 22.089 -12.128 404 2HB SER 54 1HB SER 54 -21.000 23.538 -11.126 405 HG SER 54 HG SER 54 -22.413 21.551 -10.632 406 H GLU 55 H GLU 55 -20.079 25.251 -12.608 407 HA GLU 55 HA GLU 55 -21.763 27.699 -12.235 408 1HB GLU 55 2HB GLU 55 -19.431 26.711 -10.590 409 2HB GLU 55 1HB GLU 55 -19.850 28.423 -10.636 410 1HG GLU 55 2HG GLU 55 -21.456 28.051 -9.104 411 2HG GLU 55 1HG GLU 55 -22.281 26.996 -10.256 412 H SER 56 H SER 56 -20.789 27.068 -14.722 413 HA SER 56 HA SER 56 -19.536 27.939 -16.491 414 1HB SER 56 2HB SER 56 -19.980 30.095 -14.653 415 2HB SER 56 1HB SER 56 -18.351 30.252 -15.305 416 HG SER 56 HG SER 56 -19.564 31.189 -16.824 417 H ASP 57 H ASP 57 -17.965 26.312 -16.527 418 HA ASP 57 HA ASP 57 -15.336 27.040 -15.298 419 1HB ASP 57 2HB ASP 57 -16.460 24.234 -15.599 420 2HB ASP 57 1HB ASP 57 -14.897 24.658 -14.902 421 H ASP 58 H ASP 58 -17.010 25.191 -17.833 422 HA ASP 58 HA ASP 58 -14.645 25.613 -19.618 423 1HB ASP 58 2HB ASP 58 -16.381 23.235 -19.118 424 2HB ASP 58 1HB ASP 58 -15.858 23.510 -20.779 425 H TRP 59 H TRP 59 -18.201 25.263 -19.479 426 HA TRP 59 HA TRP 59 -18.594 26.303 -22.189 427 1HB TRP 59 2HB TRP 59 -20.087 24.711 -20.640 428 2HB TRP 59 1HB TRP 59 -20.812 26.252 -20.191 429 HD1 TRP 59 HD1 TRP 59 -22.549 27.226 -21.805 430 HE1 TRP 59 HE1 TRP 59 -23.357 26.646 -24.184 431 HE3 TRP 59 HE3 TRP 59 -19.118 23.647 -23.066 432 HZ2 TRP 59 HZ2 TRP 59 -22.651 24.899 -26.330 433 HZ3 TRP 59 HZ3 TRP 59 -19.216 22.542 -25.284 434 HH2 TRP 59 HH2 TRP 59 -20.976 23.165 -26.916 435 H SER 60 H SER 60 -18.883 28.425 -22.738 436 HA SER 60 HA SER 60 -18.930 30.760 -22.525 437 1HB SER 60 2HB SER 60 -21.079 29.684 -20.962 438 2HB SER 60 1HB SER 60 -20.415 31.069 -20.102 439 HG SER 60 HG SER 60 -22.093 31.420 -21.813 440 H GLU 61 H GLU 61 -16.899 29.093 -20.931 441 HA GLU 61 HA GLU 61 -15.701 31.330 -19.501 442 1HB GLU 61 2HB GLU 61 -17.429 30.180 -17.913 443 2HB GLU 61 1HB GLU 61 -16.249 28.873 -17.836 444 1HG GLU 61 2HG GLU 61 -15.210 31.639 -17.437 445 2HG GLU 61 1HG GLU 61 -16.200 30.968 -16.143 446 H GLU 62 H GLU 62 -13.778 31.075 -20.555 447 HA GLU 62 HA GLU 62 -12.575 28.352 -20.703 448 1HB GLU 62 2HB GLU 62 -12.559 30.722 -22.421 449 2HB GLU 62 1HB GLU 62 -10.931 30.120 -22.110 450 1HG GLU 62 2HG GLU 62 -11.534 28.831 -23.955 451 2HG GLU 62 1HG GLU 62 -12.020 27.772 -22.631 452 HA PRO 63 HA PRO 63 -10.098 29.961 -17.279 453 1HB PRO 63 2HB PRO 63 -9.081 27.490 -16.580 454 2HB PRO 63 1HB PRO 63 -10.651 28.100 -16.026 455 1HG PRO 63 2HG PRO 63 -10.061 26.051 -18.118 456 2HG PRO 63 1HG PRO 63 -11.487 26.216 -17.080 457 1HD PRO 63 2HD PRO 63 -11.360 26.979 -19.787 458 2HD PRO 63 1HD PRO 63 -12.593 27.514 -18.626 459 H LYS 64 H LYS 64 -8.081 30.798 -17.620 460 HA LYS 64 HA LYS 64 -6.430 29.549 -19.758 461 1HB LYS 64 2HB LYS 64 -6.882 32.342 -18.820 462 2HB LYS 64 1HB LYS 64 -5.293 31.947 -19.485 463 1HG LYS 64 2HG LYS 64 -6.715 30.788 -21.382 464 2HG LYS 64 1HG LYS 64 -7.980 31.886 -20.823 465 1HD LYS 64 2HD LYS 64 -6.711 33.805 -21.362 466 2HD LYS 64 1HD LYS 64 -5.205 32.884 -21.464 467 1HE LYS 64 2HE LYS 64 -6.197 31.633 -23.419 468 2HE LYS 64 1HE LYS 64 -7.557 32.758 -23.372 469 1HZ LYS 64 1HZ LYS 64 -6.073 33.639 -24.931 470 2HZ LYS 64 2HZ LYS 64 -4.715 33.344 -23.953 471 3HZ LYS 64 3HZ LYS 64 -5.817 34.571 -23.535 472 H GLN 65 HN GLN 65 -4.350 28.973 -19.420 473 HA GLN 65 HA GLN 65 -3.262 29.254 -16.649 474 1HB GLN 65 2HB GLN 65 -3.385 26.944 -18.541 475 2HB GLN 65 1HB GLN 65 -1.909 27.119 -17.589 476 1HG GLN 65 2HG GLN 65 -3.180 25.861 -16.122 477 2HG GLN 65 1HG GLN 65 -3.625 27.486 -15.598 478 1HE2 GLN 65 1HE2 GLN 65 -4.864 24.522 -16.905 479 2HE2 GLN 65 2HE2 GLN 65 -6.458 25.062 -17.182 Start of MODEL 18 1 H MET 1 1H MET 1 14.368 -14.074 2.184 2 HA MET 1 HA MET 1 16.036 -14.782 0.864 3 1HB MET 1 2HB MET 1 14.302 -16.955 1.753 4 2HB MET 1 1HB MET 1 15.242 -17.409 0.329 5 1HG MET 1 2HG MET 1 17.242 -16.331 1.601 6 2HG MET 1 1HG MET 1 16.225 -16.516 3.029 7 1HE MET 1 1HE MET 1 18.801 -18.749 3.557 8 2HE MET 1 2HE MET 1 18.865 -17.345 2.494 9 3HE MET 1 3HE MET 1 19.242 -18.935 1.858 10 H SER 2 H SER 2 13.267 -16.469 -0.697 11 HA SER 2 HA SER 2 14.225 -15.362 -3.310 12 1HB SER 2 2HB SER 2 13.279 -17.532 -4.297 13 2HB SER 2 1HB SER 2 14.773 -17.684 -3.379 14 HG SER 2 HG SER 2 12.737 -19.097 -2.965 15 H GLU 3 H GLU 3 12.678 -13.636 -2.991 16 HA GLU 3 HA GLU 3 9.854 -14.471 -3.508 17 1HB GLU 3 2HB GLU 3 10.263 -13.533 -1.184 18 2HB GLU 3 1HB GLU 3 10.696 -12.008 -1.955 19 1HG GLU 3 2HG GLU 3 8.155 -13.179 -2.900 20 2HG GLU 3 1HG GLU 3 8.148 -12.682 -1.208 21 H THR 4 H THR 4 9.459 -13.940 -5.602 22 HA THR 4 HA THR 4 10.217 -11.209 -6.531 23 HB THR 4 HB THR 4 10.464 -13.620 -8.345 24 HG1 THR 4 HG1 THR 4 12.174 -14.089 -7.238 25 1HG2 THR 4 1HG2 THR 4 10.440 -11.756 -9.708 26 2HG2 THR 4 2HG2 THR 4 12.161 -11.820 -9.329 27 3HG2 THR 4 3HG2 THR 4 11.108 -10.704 -8.460 28 H ILE 5 H ILE 5 7.817 -11.204 -5.782 29 HA ILE 5 HA ILE 5 5.914 -12.419 -7.662 30 HB ILE 5 HB ILE 5 4.193 -11.243 -6.296 31 1HG1 ILE 5 2HG1 ILE 5 5.915 -10.445 -4.115 32 2HG1 ILE 5 1HG1 ILE 5 6.391 -9.592 -5.582 33 1HG2 ILE 5 1HG2 ILE 5 5.250 -13.490 -5.677 34 2HG2 ILE 5 2HG2 ILE 5 4.446 -12.622 -4.369 35 3HG2 ILE 5 3HG2 ILE 5 6.206 -12.600 -4.493 36 1HD1 ILE 5 1HD1 ILE 5 4.654 -8.198 -5.238 37 2HD1 ILE 5 2HD1 ILE 5 4.042 -9.207 -3.925 38 3HD1 ILE 5 3HD1 ILE 5 3.580 -9.552 -5.593 39 H THR 6 H THR 6 5.172 -11.448 -9.488 40 HA THR 6 HA THR 6 6.080 -8.703 -10.089 41 HB THR 6 HB THR 6 5.087 -9.175 -12.355 42 HG1 THR 6 HG1 THR 6 3.785 -10.792 -12.488 43 1HG2 THR 6 1HG2 THR 6 7.222 -10.829 -11.076 44 2HG2 THR 6 2HG2 THR 6 7.348 -9.639 -12.372 45 3HG2 THR 6 3HG2 THR 6 6.715 -11.249 -12.713 46 H VAL 7 H VAL 7 4.821 -6.997 -9.614 47 HA VAL 7 HA VAL 7 1.925 -7.391 -9.103 48 HB VAL 7 HB VAL 7 3.675 -4.937 -8.715 49 1HG1 VAL 7 1HG1 VAL 7 1.435 -4.872 -7.021 50 2HG1 VAL 7 2HG1 VAL 7 0.806 -5.387 -8.587 51 3HG1 VAL 7 3HG1 VAL 7 1.703 -3.874 -8.451 52 1HG2 VAL 7 1HG2 VAL 7 3.112 -7.339 -7.063 53 2HG2 VAL 7 2HG2 VAL 7 2.994 -5.793 -6.221 54 3HG2 VAL 7 3HG2 VAL 7 4.496 -6.247 -7.024 55 H ASN 8 H ASN 8 0.468 -6.929 -10.683 56 HA ASN 8 HA ASN 8 1.371 -5.608 -13.150 57 1HB ASN 8 2HB ASN 8 -0.380 -7.623 -12.741 58 2HB ASN 8 1HB ASN 8 -1.504 -6.264 -12.770 59 1HD2 ASN 8 1HD2 ASN 8 1.075 -7.854 -14.693 60 2HD2 ASN 8 2HD2 ASN 8 0.546 -7.252 -16.189 61 H CYS 9 H CYS 9 1.009 -3.509 -13.658 62 HA CYS 9 HA CYS 9 0.081 -1.598 -11.769 63 1HB CYS 9 2HB CYS 9 1.529 -1.216 -13.858 64 2HB CYS 9 1HB CYS 9 0.019 -1.201 -14.768 65 HA PRO 10 HA PRO 10 -4.282 -2.433 -12.330 66 1HB PRO 10 2HB PRO 10 -5.091 -0.792 -10.277 67 2HB PRO 10 1HB PRO 10 -4.472 -2.435 -10.042 68 1HG PRO 10 2HG PRO 10 -3.122 0.169 -9.514 69 2HG PRO 10 1HG PRO 10 -2.850 -1.409 -8.758 70 1HD PRO 10 2HD PRO 10 -1.232 -0.224 -10.755 71 2HD PRO 10 1HD PRO 10 -1.168 -1.918 -10.225 72 H THR 11 H THR 11 -2.615 0.557 -12.766 73 HA THR 11 HA THR 11 -5.031 2.110 -13.411 74 HB THR 11 HB THR 11 -2.090 2.793 -13.740 75 HG1 THR 11 HG1 THR 11 -2.205 3.220 -11.705 76 1HG2 THR 11 1HG2 THR 11 -4.456 4.678 -13.720 77 2HG2 THR 11 2HG2 THR 11 -3.769 4.033 -15.211 78 3HG2 THR 11 3HG2 THR 11 -2.785 5.042 -14.150 79 H CYS 12 H CYS 12 -2.218 0.783 -15.206 80 HA CYS 12 HA CYS 12 -3.826 1.107 -17.714 81 1HB CYS 12 2HB CYS 12 -1.724 1.326 -18.929 82 2HB CYS 12 1HB CYS 12 -1.768 2.508 -17.624 83 H GLY 13 H GLY 13 -1.715 -1.077 -15.878 84 1HA GLY 13 2HA GLY 13 -2.141 -3.496 -15.946 85 2HA GLY 13 1HA GLY 13 -2.659 -3.311 -17.623 86 H LYS 14 H LYS 14 0.122 -3.407 -15.482 87 HA LYS 14 HA LYS 14 1.846 -4.186 -17.761 88 1HB LYS 14 2HB LYS 14 1.966 -1.600 -16.374 89 2HB LYS 14 1HB LYS 14 3.501 -2.461 -16.364 90 1HG LYS 14 2HG LYS 14 2.688 -2.841 -18.953 91 2HG LYS 14 1HG LYS 14 2.063 -1.225 -18.617 92 1HD LYS 14 2HD LYS 14 4.234 -0.427 -17.975 93 2HD LYS 14 1HD LYS 14 4.909 -2.059 -17.999 94 1HE LYS 14 2HE LYS 14 3.630 -1.217 -20.528 95 2HE LYS 14 1HE LYS 14 5.070 -0.301 -20.095 96 1HZ LYS 14 1HZ LYS 14 6.024 -2.659 -19.614 97 2HZ LYS 14 2HZ LYS 14 5.976 -2.065 -21.205 98 3HZ LYS 14 3HZ LYS 14 4.802 -3.170 -20.673 99 H THR 15 H THR 15 3.064 -5.907 -17.114 100 HA THR 15 HA THR 15 3.046 -6.809 -14.362 101 HB THR 15 HB THR 15 4.886 -7.754 -16.585 102 HG1 THR 15 HG1 THR 15 3.171 -8.531 -17.471 103 1HG2 THR 15 1HG2 THR 15 5.553 -8.632 -14.454 104 2HG2 THR 15 2HG2 THR 15 4.663 -9.915 -15.272 105 3HG2 THR 15 3HG2 THR 15 3.883 -8.973 -14.003 106 H VAL 16 H VAL 16 4.227 -5.867 -12.799 107 HA VAL 16 HA VAL 16 6.928 -4.771 -13.487 108 HB VAL 16 HB VAL 16 4.817 -3.840 -11.530 109 1HG1 VAL 16 1HG1 VAL 16 6.317 -2.564 -10.342 110 2HG1 VAL 16 2HG1 VAL 16 7.475 -2.474 -11.667 111 3HG1 VAL 16 3HG1 VAL 16 7.354 -3.941 -10.694 112 1HG2 VAL 16 1HG2 VAL 16 6.389 -2.177 -13.486 113 2HG2 VAL 16 2HG2 VAL 16 4.788 -1.874 -12.810 114 3HG2 VAL 16 3HG2 VAL 16 5.006 -3.124 -14.034 115 H VAL 17 H VAL 17 8.396 -6.257 -12.791 116 HA VAL 17 HA VAL 17 7.976 -8.274 -10.863 117 HB VAL 17 HB VAL 17 9.849 -8.177 -12.542 118 1HG1 VAL 17 1HG1 VAL 17 11.873 -6.947 -11.990 119 2HG1 VAL 17 2HG1 VAL 17 11.156 -6.373 -10.485 120 3HG1 VAL 17 3HG1 VAL 17 10.519 -5.819 -12.033 121 1HG2 VAL 17 1HG2 VAL 17 10.175 -9.921 -11.061 122 2HG2 VAL 17 2HG2 VAL 17 10.193 -8.864 -9.650 123 3HG2 VAL 17 3HG2 VAL 17 11.606 -8.959 -10.701 124 H TRP 18 H TRP 18 8.052 -8.334 -8.671 125 HA TRP 18 HA TRP 18 9.119 -5.970 -7.187 126 1HB TRP 18 2HB TRP 18 6.607 -5.864 -7.424 127 2HB TRP 18 1HB TRP 18 6.513 -7.383 -6.537 128 HD1 TRP 18 HD1 TRP 18 6.304 -7.168 -4.019 129 HE1 TRP 18 HE1 TRP 18 6.783 -5.329 -2.278 130 HE3 TRP 18 HE3 TRP 18 8.386 -3.618 -7.039 131 HZ2 TRP 18 HZ2 TRP 18 7.903 -2.702 -2.183 132 HZ3 TRP 18 HZ3 TRP 18 9.152 -1.462 -6.095 133 HH2 TRP 18 HH2 TRP 18 8.909 -0.994 -3.675 134 H GLY 19 H GLY 19 9.749 -6.485 -4.956 135 1HA GLY 19 2HA GLY 19 9.826 -8.332 -3.211 136 2HA GLY 19 1HA GLY 19 10.253 -9.411 -4.538 137 H GLU 20 H GLU 20 12.398 -9.615 -5.069 138 HA GLU 20 HA GLU 20 14.336 -7.960 -3.534 139 1HB GLU 20 2HB GLU 20 14.405 -10.665 -4.814 140 2HB GLU 20 1HB GLU 20 15.924 -9.783 -4.651 141 1HG GLU 20 2HG GLU 20 15.935 -10.769 -2.584 142 2HG GLU 20 1HG GLU 20 14.914 -9.390 -2.174 143 H ILE 21 H ILE 21 12.852 -7.136 -6.082 144 HA ILE 21 HA ILE 21 15.129 -5.868 -7.376 145 HB ILE 21 HB ILE 21 15.267 -7.949 -8.586 146 1HG1 ILE 21 2HG1 ILE 21 13.611 -6.157 -10.375 147 2HG1 ILE 21 1HG1 ILE 21 15.249 -5.728 -9.881 148 1HG2 ILE 21 1HG2 ILE 21 12.390 -7.760 -9.443 149 2HG2 ILE 21 2HG2 ILE 21 12.801 -8.527 -7.909 150 3HG2 ILE 21 3HG2 ILE 21 13.452 -9.167 -9.418 151 1HD1 ILE 21 1HD1 ILE 21 14.363 -7.680 -11.870 152 2HD1 ILE 21 2HD1 ILE 21 15.492 -8.375 -10.706 153 3HD1 ILE 21 3HD1 ILE 21 15.954 -6.955 -11.644 154 H SER 22 H SER 22 14.093 -3.935 -6.882 155 HA SER 22 HA SER 22 11.414 -3.487 -8.139 156 1HB SER 22 2HB SER 22 12.683 -2.050 -5.788 157 2HB SER 22 1HB SER 22 11.085 -1.724 -6.450 158 HG SER 22 HG SER 22 11.688 -3.453 -4.604 159 HA PRO 23 HA PRO 23 14.133 -0.832 -10.616 160 1HB PRO 23 2HB PRO 23 12.526 -0.964 -12.848 161 2HB PRO 23 1HB PRO 23 13.753 -2.177 -12.445 162 1HG PRO 23 2HG PRO 23 10.785 -2.361 -12.209 163 2HG PRO 23 1HG PRO 23 11.976 -3.653 -12.434 164 1HD PRO 23 2HD PRO 23 10.708 -2.975 -9.997 165 2HD PRO 23 1HD PRO 23 12.129 -4.025 -10.180 166 H PHE 24 H PHE 24 10.547 -0.643 -10.739 167 HA PHE 24 HA PHE 24 10.720 2.269 -10.141 168 1HB PHE 24 2HB PHE 24 10.067 1.145 -12.704 169 2HB PHE 24 1HB PHE 24 8.614 1.885 -12.036 170 HD1 PHE 24 HD1 PHE 24 8.504 4.281 -11.593 171 HD2 PHE 24 HD2 PHE 24 12.072 2.479 -13.151 172 HE1 PHE 24 HE1 PHE 24 9.382 6.526 -12.173 173 HE2 PHE 24 HE2 PHE 24 12.954 4.724 -13.731 174 HZ PHE 24 HZ PHE 24 11.608 6.749 -13.244 175 H ARG 25 H ARG 25 10.040 0.392 -8.251 176 HA ARG 25 HA ARG 25 8.357 -0.153 -6.716 177 1HB ARG 25 2HB ARG 25 7.646 2.401 -7.787 178 2HB ARG 25 1HB ARG 25 6.166 1.453 -7.658 179 1HG ARG 25 2HG ARG 25 6.196 1.515 -5.386 180 2HG ARG 25 1HG ARG 25 7.924 1.182 -5.314 181 1HD ARG 25 2HD ARG 25 7.152 3.869 -6.322 182 2HD ARG 25 1HD ARG 25 6.858 3.563 -4.611 183 HE ARG 25 HE ARG 25 9.239 3.259 -4.295 184 1HH1 ARG 25 1HH2 ARG 25 9.297 5.817 -5.775 185 2HH1 ARG 25 2HH2 ARG 25 10.419 5.502 -7.054 186 1HH2 ARG 25 2HH1 ARG 25 10.263 2.051 -6.687 187 2HH2 ARG 25 1HH1 ARG 25 10.967 3.361 -7.573 188 HA PRO 26 HA PRO 26 5.613 -3.011 -8.614 189 1HB PRO 26 2HB PRO 26 3.146 -2.673 -7.435 190 2HB PRO 26 1HB PRO 26 4.528 -3.444 -6.637 191 1HG PRO 26 2HG PRO 26 3.390 -0.721 -6.208 192 2HG PRO 26 1HG PRO 26 4.276 -1.758 -5.078 193 1HD PRO 26 2HD PRO 26 5.345 0.447 -6.463 194 2HD PRO 26 1HD PRO 26 6.289 -0.810 -5.638 195 H PHE 27 H PHE 27 4.811 0.317 -8.970 196 HA PHE 27 HA PHE 27 2.709 -0.187 -11.000 197 1HB PHE 27 2HB PHE 27 3.794 2.259 -9.618 198 2HB PHE 27 1HB PHE 27 2.899 2.427 -11.128 199 HD1 PHE 27 HD1 PHE 27 0.541 2.315 -11.157 200 HD2 PHE 27 HD2 PHE 27 2.702 0.968 -7.701 201 HE1 PHE 27 HE1 PHE 27 -1.592 2.078 -9.918 202 HE2 PHE 27 HE2 PHE 27 0.569 0.732 -6.459 203 HZ PHE 27 HZ PHE 27 -1.579 1.288 -7.567 204 H CYS 28 H CYS 28 3.006 0.598 -13.207 205 HA CYS 28 HA CYS 28 5.658 0.103 -14.247 206 1HB CYS 28 2HB CYS 28 4.719 0.549 -16.415 207 2HB CYS 28 1HB CYS 28 3.491 -0.311 -15.488 208 H SER 29 H SER 29 3.838 3.037 -13.461 209 HA SER 29 HA SER 29 6.346 4.593 -13.714 210 1HB SER 29 2HB SER 29 4.136 4.758 -15.593 211 2HB SER 29 1HB SER 29 4.383 6.300 -14.780 212 HG SER 29 HG SER 29 5.694 6.005 -16.669 213 H LYS 30 H LYS 30 6.027 6.832 -12.764 214 HA LYS 30 HA LYS 30 4.726 6.617 -10.190 215 1HB LYS 30 2HB LYS 30 6.795 8.065 -10.940 216 2HB LYS 30 1HB LYS 30 5.559 9.256 -11.354 217 1HG LYS 30 2HG LYS 30 4.935 9.581 -9.155 218 2HG LYS 30 1HG LYS 30 5.325 7.923 -8.699 219 1HD LYS 30 2HD LYS 30 7.804 8.845 -9.349 220 2HD LYS 30 1HD LYS 30 7.059 10.321 -8.731 221 1HE LYS 30 2HE LYS 30 8.131 9.097 -6.896 222 2HE LYS 30 1HE LYS 30 6.382 9.096 -6.676 223 1HZ LYS 30 1HZ LYS 30 7.746 6.888 -8.093 224 2HZ LYS 30 2HZ LYS 30 6.218 6.892 -7.340 225 3HZ LYS 30 3HZ LYS 30 7.633 6.904 -6.400 226 H ARG 31 H ARG 31 3.920 8.251 -13.240 227 HA ARG 31 HA ARG 31 1.673 9.746 -12.316 228 1HB ARG 31 2HB ARG 31 2.913 9.680 -14.663 229 2HB ARG 31 1HB ARG 31 1.659 8.501 -15.048 230 1HG ARG 31 2HG ARG 31 0.525 10.416 -15.640 231 2HG ARG 31 1HG ARG 31 0.102 10.374 -13.929 232 1HD ARG 31 2HD ARG 31 2.678 11.688 -14.447 233 2HD ARG 31 1HD ARG 31 1.313 12.501 -15.214 234 HE ARG 31 HE ARG 31 1.511 11.964 -12.280 235 1HH1 ARG 31 2HH1 ARG 31 1.977 14.738 -13.069 236 2HH1 ARG 31 1HH1 ARG 31 0.400 15.452 -13.003 237 1HH2 ARG 31 1HH2 ARG 31 -1.268 12.408 -13.038 238 2HH2 ARG 31 2HH2 ARG 31 -1.440 14.130 -12.986 239 H CYS 32 H CYS 32 1.947 6.405 -13.536 240 HA CYS 32 HA CYS 32 -0.841 5.779 -13.511 241 1HB CYS 32 2HB CYS 32 1.700 4.262 -13.591 242 2HB CYS 32 1HB CYS 32 0.326 3.383 -12.917 243 H GLN 33 H GLN 33 1.684 5.320 -11.007 244 HA GLN 33 HA GLN 33 -0.054 4.242 -8.999 245 1HB GLN 33 2HB GLN 33 2.465 4.216 -8.909 246 2HB GLN 33 1HB GLN 33 2.420 5.944 -8.556 247 1HG GLN 33 2HG GLN 33 1.280 5.595 -6.489 248 2HG GLN 33 1HG GLN 33 0.912 3.918 -6.892 249 1HE2 GLN 33 1HE2 GLN 33 3.571 6.112 -5.962 250 2HE2 GLN 33 2HE2 GLN 33 4.628 4.882 -5.461 251 H LEU 34 H LEU 34 0.769 7.549 -9.949 252 HA LEU 34 HA LEU 34 -0.471 8.921 -7.766 253 1HB LEU 34 2HB LEU 34 0.967 9.671 -10.003 254 2HB LEU 34 1HB LEU 34 -0.648 10.251 -10.395 255 HG LEU 34 HG LEU 34 -0.744 11.454 -8.244 256 1HD1 LEU 34 1HD1 LEU 34 0.634 10.111 -6.819 257 2HD1 LEU 34 2HD1 LEU 34 1.474 11.653 -6.983 258 3HD1 LEU 34 3HD1 LEU 34 2.014 10.251 -7.907 259 1HD2 LEU 34 1HD2 LEU 34 1.365 12.964 -8.751 260 2HD2 LEU 34 2HD2 LEU 34 0.031 12.889 -9.903 261 3HD2 LEU 34 3HD2 LEU 34 1.493 11.942 -10.183 262 H ILE 35 H ILE 35 -1.739 8.601 -11.114 263 HA ILE 35 HA ILE 35 -4.380 9.394 -10.593 264 HB ILE 35 HB ILE 35 -3.608 7.201 -12.540 265 1HG1 ILE 35 2HG1 ILE 35 -2.123 9.096 -12.919 266 2HG1 ILE 35 1HG1 ILE 35 -3.351 9.090 -14.180 267 1HG2 ILE 35 1HG2 ILE 35 -5.883 7.282 -12.759 268 2HG2 ILE 35 2HG2 ILE 35 -5.520 8.699 -13.746 269 3HG2 ILE 35 3HG2 ILE 35 -5.997 8.896 -12.060 270 1HD1 ILE 35 1HD1 ILE 35 -4.644 10.659 -12.479 271 2HD1 ILE 35 2HD1 ILE 35 -3.407 11.323 -13.547 272 3HD1 ILE 35 3HD1 ILE 35 -3.020 10.964 -11.864 273 H ASP 36 H ASP 36 -2.866 6.258 -9.969 274 HA ASP 36 HA ASP 36 -5.170 4.671 -9.548 275 1HB ASP 36 2HB ASP 36 -2.630 4.044 -9.469 276 2HB ASP 36 1HB ASP 36 -2.763 4.430 -7.754 277 H LEU 37 H LEU 37 -3.508 6.904 -7.315 278 HA LEU 37 HA LEU 37 -5.130 6.319 -5.015 279 1HB LEU 37 2HB LEU 37 -3.111 8.295 -5.777 280 2HB LEU 37 1HB LEU 37 -4.374 8.992 -4.763 281 HG LEU 37 HG LEU 37 -2.491 8.069 -3.425 282 1HD1 LEU 37 1HD1 LEU 37 -4.044 7.706 -1.845 283 2HD1 LEU 37 2HD1 LEU 37 -4.416 6.132 -2.547 284 3HD1 LEU 37 3HD1 LEU 37 -5.275 7.570 -3.100 285 1HD2 LEU 37 1HD2 LEU 37 -1.605 6.039 -3.857 286 2HD2 LEU 37 2HD2 LEU 37 -2.632 5.971 -5.289 287 3HD2 LEU 37 3HD2 LEU 37 -3.188 5.266 -3.770 288 H GLY 38 H GLY 38 -5.273 9.126 -7.252 289 1HA GLY 38 2HA GLY 38 -7.386 9.826 -8.277 290 2HA GLY 38 1HA GLY 38 -8.240 9.133 -6.901 291 H GLU 39 H GLU 39 -5.367 11.130 -6.488 292 HA GLU 39 HA GLU 39 -7.100 13.383 -5.558 293 1HB GLU 39 2HB GLU 39 -5.136 11.785 -4.045 294 2HB GLU 39 1HB GLU 39 -4.909 13.526 -3.895 295 1HG GLU 39 2HG GLU 39 -7.653 12.313 -3.600 296 2HG GLU 39 1HG GLU 39 -6.535 12.345 -2.235 297 H TRP 40 H TRP 40 -5.851 13.183 -8.101 298 HA TRP 40 HA TRP 40 -3.896 15.425 -7.914 299 1HB TRP 40 2HB TRP 40 -3.447 13.256 -9.938 300 2HB TRP 40 1HB TRP 40 -2.280 14.366 -9.217 301 HD1 TRP 40 HD1 TRP 40 -3.820 10.990 -8.801 302 HE1 TRP 40 HE1 TRP 40 -2.892 9.849 -6.690 303 HE3 TRP 40 HE3 TRP 40 -1.365 14.923 -6.663 304 HZ2 TRP 40 HZ2 TRP 40 -1.329 10.497 -4.405 305 HZ3 TRP 40 HZ3 TRP 40 -0.162 14.631 -4.515 306 HH2 TRP 40 HH2 TRP 40 -0.140 12.424 -3.382 307 H ALA 41 H ALA 41 -5.544 13.390 -10.347 308 HA ALA 41 HA ALA 41 -6.516 15.899 -11.654 309 1HB ALA 41 1HB ALA 41 -5.466 15.324 -13.559 310 2HB ALA 41 2HB ALA 41 -6.301 13.770 -13.566 311 3HB ALA 41 3HB ALA 41 -4.755 13.937 -12.734 312 H ALA 42 H ALA 42 -8.662 15.895 -12.237 313 HA ALA 42 HA ALA 42 -10.894 15.222 -12.317 314 1HB ALA 42 1HB ALA 42 -9.598 13.432 -13.836 315 2HB ALA 42 2HB ALA 42 -11.321 13.286 -13.489 316 3HB ALA 42 3HB ALA 42 -10.152 12.339 -12.567 317 H GLU 43 H GLU 43 -10.919 15.785 -10.001 318 HA GLU 43 HA GLU 43 -10.917 13.477 -8.128 319 1HB GLU 43 2HB GLU 43 -10.553 16.399 -7.888 320 2HB GLU 43 1HB GLU 43 -11.540 15.684 -6.615 321 1HG GLU 43 2HG GLU 43 -9.269 15.581 -5.848 322 2HG GLU 43 1HG GLU 43 -9.710 13.942 -6.325 323 H GLU 44 H GLU 44 -12.828 12.476 -7.763 324 HA GLU 44 HA GLU 44 -15.338 13.746 -8.617 325 1HB GLU 44 2HB GLU 44 -14.506 11.002 -7.751 326 2HB GLU 44 1HB GLU 44 -16.212 11.438 -7.646 327 1HG GLU 44 2HG GLU 44 -16.096 10.610 -9.824 328 2HG GLU 44 1HG GLU 44 -15.839 12.332 -10.097 329 H LYS 45 H LYS 45 -13.607 14.245 -5.924 330 HA LYS 45 HA LYS 45 -15.920 14.131 -4.041 331 1HB LYS 45 2HB LYS 45 -13.292 13.397 -3.662 332 2HB LYS 45 1HB LYS 45 -13.302 15.037 -3.020 333 1HG LYS 45 2HG LYS 45 -15.668 13.658 -2.131 334 2HG LYS 45 1HG LYS 45 -14.247 12.684 -1.755 335 1HD LYS 45 2HD LYS 45 -13.851 14.034 0.000 336 2HD LYS 45 1HD LYS 45 -13.543 15.349 -1.136 337 1HE LYS 45 2HE LYS 45 -15.546 16.333 -0.729 338 2HE LYS 45 1HE LYS 45 -16.405 14.791 -0.713 339 1HZ LYS 45 1HZ LYS 45 -16.105 16.194 1.463 340 2HZ LYS 45 2HZ LYS 45 -14.601 15.406 1.520 341 3HZ LYS 45 3HZ LYS 45 -16.039 14.499 1.505 342 H ARG 46 H ARG 46 -17.101 16.019 -4.488 343 HA ARG 46 HA ARG 46 -15.583 18.581 -4.215 344 1HB ARG 46 2HB ARG 46 -16.790 17.661 -6.567 345 2HB ARG 46 1HB ARG 46 -17.923 18.847 -5.920 346 1HG ARG 46 2HG ARG 46 -15.405 20.013 -5.546 347 2HG ARG 46 1HG ARG 46 -15.314 19.273 -7.143 348 1HD ARG 46 2HD ARG 46 -16.198 21.420 -7.574 349 2HD ARG 46 1HD ARG 46 -17.620 20.378 -7.567 350 HE ARG 46 HE ARG 46 -18.147 21.231 -5.324 351 1HH1 ARG 46 1HH2 ARG 46 -17.809 23.660 -7.160 352 2HH1 ARG 46 2HH2 ARG 46 -16.863 24.705 -6.152 353 1HH2 ARG 46 2HH1 ARG 46 -15.957 22.185 -3.942 354 2HH2 ARG 46 1HH1 ARG 46 -15.813 23.867 -4.329 355 H ILE 47 H ILE 47 -16.388 19.890 -2.689 356 HA ILE 47 HA ILE 47 -19.263 19.625 -1.907 357 HB ILE 47 HB ILE 47 -18.401 20.344 0.438 358 1HG1 ILE 47 2HG1 ILE 47 -15.894 18.879 -0.220 359 2HG1 ILE 47 1HG1 ILE 47 -15.992 20.553 -0.768 360 1HG2 ILE 47 1HG2 ILE 47 -17.416 17.633 0.191 361 2HG2 ILE 47 2HG2 ILE 47 -18.881 17.850 -0.769 362 3HG2 ILE 47 3HG2 ILE 47 -18.893 18.215 0.956 363 1HD1 ILE 47 1HD1 ILE 47 -16.888 20.965 1.690 364 2HD1 ILE 47 2HD1 ILE 47 -15.155 20.866 1.376 365 3HD1 ILE 47 3HD1 ILE 47 -16.017 19.470 2.025 366 HA PRO 48 HA PRO 48 -18.373 23.916 -3.193 367 1HB PRO 48 2HB PRO 48 -20.785 24.226 -4.479 368 2HB PRO 48 1HB PRO 48 -19.338 23.550 -5.246 369 1HG PRO 48 2HG PRO 48 -21.788 22.144 -4.293 370 2HG PRO 48 1HG PRO 48 -20.655 21.679 -5.572 371 1HD PRO 48 2HD PRO 48 -20.735 20.592 -2.966 372 2HD PRO 48 1HD PRO 48 -19.409 20.404 -4.131 373 H SER 49 H SER 49 -19.336 25.901 -2.481 374 HA SER 49 HA SER 49 -20.447 26.001 0.089 375 1HB SER 49 2HB SER 49 -20.046 27.875 -2.119 376 2HB SER 49 1HB SER 49 -21.485 28.264 -1.179 377 HG SER 49 HG SER 49 -19.195 28.992 -0.517 378 H SER 50 H SER 50 -22.130 25.944 -3.045 379 HA SER 50 HA SER 50 -24.739 25.667 -1.626 380 1HB SER 50 2HB SER 50 -25.720 26.073 -3.908 381 2HB SER 50 1HB SER 50 -24.737 27.414 -3.326 382 HG SER 50 HG SER 50 -23.708 27.143 -5.140 383 H GLY 51 H GLY 51 -25.646 23.662 -1.530 384 1HA GLY 51 2HA GLY 51 -26.295 21.527 -2.487 385 2HA GLY 51 1HA GLY 51 -24.913 21.633 -3.580 386 H ASP 52 H ASP 52 -22.719 21.710 -2.373 387 HA ASP 52 HA ASP 52 -21.166 20.541 -1.079 388 1HB ASP 52 2HB ASP 52 -22.986 21.748 0.666 389 2HB ASP 52 1HB ASP 52 -22.881 20.086 1.244 390 H LEU 53 H LEU 53 -21.730 18.771 -2.727 391 HA LEU 53 HA LEU 53 -23.360 16.540 -1.757 392 1HB LEU 53 2HB LEU 53 -22.239 17.365 -4.261 393 2HB LEU 53 1HB LEU 53 -21.666 15.734 -3.910 394 HG LEU 53 HG LEU 53 -24.408 15.816 -3.177 395 1HD1 LEU 53 1HD1 LEU 53 -24.836 17.719 -4.537 396 2HD1 LEU 53 2HD1 LEU 53 -25.309 16.339 -5.528 397 3HD1 LEU 53 3HD1 LEU 53 -23.769 17.146 -5.813 398 1HD2 LEU 53 1HD2 LEU 53 -24.502 14.261 -5.265 399 2HD2 LEU 53 2HD2 LEU 53 -23.467 13.783 -3.918 400 3HD2 LEU 53 3HD2 LEU 53 -22.760 14.527 -5.352 401 H SER 54 H SER 54 -22.601 15.142 -0.249 402 HA SER 54 HA SER 54 -19.677 14.498 -0.260 403 1HB SER 54 2HB SER 54 -21.466 15.343 1.940 404 2HB SER 54 1HB SER 54 -20.440 13.961 2.307 405 HG SER 54 HG SER 54 -19.333 15.850 2.775 406 H GLU 55 H GLU 55 -19.438 12.422 -0.933 407 HA GLU 55 HA GLU 55 -21.571 10.449 -0.821 408 1HB GLU 55 2HB GLU 55 -18.808 10.608 -1.834 409 2HB GLU 55 1HB GLU 55 -19.217 9.024 -1.178 410 1HG GLU 55 2HG GLU 55 -20.508 8.539 -2.960 411 2HG GLU 55 1HG GLU 55 -21.392 10.058 -2.807 412 H SER 56 H SER 56 -22.162 9.452 1.086 413 HA SER 56 HA SER 56 -20.002 8.651 2.963 414 1HB SER 56 2HB SER 56 -21.308 10.955 3.445 415 2HB SER 56 1HB SER 56 -22.423 9.830 4.214 416 HG SER 56 HG SER 56 -20.641 10.652 5.538 417 H ASP 57 H ASP 57 -20.281 6.555 3.411 418 HA ASP 57 HA ASP 57 -23.065 5.487 3.632 419 1HB ASP 57 2HB ASP 57 -21.821 4.585 1.654 420 2HB ASP 57 1HB ASP 57 -20.595 3.960 2.758 421 H ASP 58 H ASP 58 -19.680 4.828 4.632 422 HA ASP 58 HA ASP 58 -18.810 4.045 6.666 423 1HB ASP 58 2HB ASP 58 -21.243 5.614 7.549 424 2HB ASP 58 1HB ASP 58 -20.191 4.825 8.719 425 H TRP 59 H TRP 59 -19.497 1.855 5.662 426 HA TRP 59 HA TRP 59 -20.274 -0.330 6.121 427 1HB TRP 59 2HB TRP 59 -20.038 0.736 8.598 428 2HB TRP 59 1HB TRP 59 -21.789 0.549 8.541 429 HD1 TRP 59 HD1 TRP 59 -18.590 -1.416 8.885 430 HE1 TRP 59 HE1 TRP 59 -19.166 -3.906 9.243 431 HE3 TRP 59 HE3 TRP 59 -23.567 -1.326 7.832 432 HZ2 TRP 59 HZ2 TRP 59 -21.455 -5.628 9.101 433 HZ3 TRP 59 HZ3 TRP 59 -24.928 -3.387 7.949 434 HH2 TRP 59 HH2 TRP 59 -23.877 -5.541 8.579 435 H SER 60 H SER 60 -22.088 -1.259 5.126 436 HA SER 60 HA SER 60 -24.274 0.520 4.369 437 1HB SER 60 2HB SER 60 -23.306 -2.111 3.560 438 2HB SER 60 1HB SER 60 -25.062 -2.064 3.661 439 HG SER 60 HG SER 60 -23.987 0.180 2.511 440 H GLU 61 H GLU 61 -24.389 0.507 7.090 441 HA GLU 61 HA GLU 61 -26.601 -1.361 7.843 442 1HB GLU 61 2HB GLU 61 -24.347 -0.800 9.263 443 2HB GLU 61 1HB GLU 61 -25.408 0.459 9.883 444 1HG GLU 61 2HG GLU 61 -26.360 -2.398 9.702 445 2HG GLU 61 1HG GLU 61 -25.409 -1.846 11.081 446 H GLU 62 H GLU 62 -25.578 2.030 7.905 447 HA GLU 62 HA GLU 62 -28.450 2.833 7.898 448 1HB GLU 62 2HB GLU 62 -26.203 4.437 9.148 449 2HB GLU 62 1HB GLU 62 -27.935 4.718 9.294 450 1HG GLU 62 2HG GLU 62 -27.179 2.026 10.149 451 2HG GLU 62 1HG GLU 62 -26.363 3.275 11.085 452 HA PRO 63 HA PRO 63 -27.233 5.018 4.266 453 1HB PRO 63 2HB PRO 63 -29.367 6.754 4.134 454 2HB PRO 63 1HB PRO 63 -29.471 5.042 3.688 455 1HG PRO 63 2HG PRO 63 -30.506 6.412 6.125 456 2HG PRO 63 1HG PRO 63 -31.080 4.930 5.347 457 1HD PRO 63 2HD PRO 63 -29.472 5.064 7.681 458 2HD PRO 63 1HD PRO 63 -29.792 3.611 6.710 459 H LYS 64 H LYS 64 -27.989 6.742 7.268 460 HA LYS 64 HA LYS 64 -26.373 9.075 6.337 461 1HB LYS 64 2HB LYS 64 -28.485 8.855 8.503 462 2HB LYS 64 1HB LYS 64 -27.504 10.293 8.231 463 1HG LYS 64 2HG LYS 64 -29.454 10.735 7.003 464 2HG LYS 64 1HG LYS 64 -28.339 10.128 5.778 465 1HD LYS 64 2HD LYS 64 -29.348 7.948 5.828 466 2HD LYS 64 1HD LYS 64 -30.306 8.359 7.252 467 1HE LYS 64 2HE LYS 64 -30.765 10.302 5.169 468 2HE LYS 64 1HE LYS 64 -31.043 8.676 4.543 469 1HZ LYS 64 1HZ LYS 64 -32.411 8.269 6.571 470 2HZ LYS 64 2HZ LYS 64 -33.059 9.418 5.500 471 3HZ LYS 64 3HZ LYS 64 -32.288 9.924 6.928 472 H GLN 65 HN GLN 65 -24.299 8.573 6.930 473 HA GLN 65 HA GLN 65 -23.532 8.776 9.679 474 1HB GLN 65 2HB GLN 65 -22.406 6.289 9.427 475 2HB GLN 65 1HB GLN 65 -23.881 6.627 10.320 476 1HG GLN 65 2HG GLN 65 -25.262 5.938 8.496 477 2HG GLN 65 1HG GLN 65 -23.900 5.930 7.376 478 1HE2 GLN 65 1HE2 GLN 65 -23.596 4.607 10.669 479 2HE2 GLN 65 2HE2 GLN 65 -23.467 2.988 10.183 Start of MODEL 19 1 H MET 1 1H MET 1 7.387 -17.227 -9.245 2 HA MET 1 HA MET 1 8.376 -18.036 -7.212 3 1HB MET 1 2HB MET 1 9.265 -15.935 -8.784 4 2HB MET 1 1HB MET 1 9.449 -15.313 -7.145 5 1HG MET 1 2HG MET 1 11.257 -16.605 -6.824 6 2HG MET 1 1HG MET 1 10.323 -18.051 -7.215 7 1HE MET 1 1HE MET 1 12.521 -18.785 -7.679 8 2HE MET 1 2HE MET 1 13.673 -17.595 -8.283 9 3HE MET 1 3HE MET 1 13.140 -18.908 -9.330 10 H SER 2 H SER 2 8.633 -17.870 -4.974 11 HA SER 2 HA SER 2 6.562 -16.434 -3.523 12 1HB SER 2 2HB SER 2 8.236 -18.638 -3.019 13 2HB SER 2 1HB SER 2 8.717 -17.421 -1.841 14 HG SER 2 HG SER 2 7.003 -18.577 -1.006 15 H GLU 3 H GLU 3 10.137 -16.159 -3.674 16 HA GLU 3 HA GLU 3 10.187 -13.767 -2.017 17 1HB GLU 3 2HB GLU 3 12.099 -15.503 -2.498 18 2HB GLU 3 1HB GLU 3 12.401 -14.504 -3.919 19 1HG GLU 3 2HG GLU 3 12.052 -13.064 -1.336 20 2HG GLU 3 1HG GLU 3 13.536 -13.998 -1.523 21 H THR 4 H THR 4 10.795 -14.330 -5.510 22 HA THR 4 HA THR 4 10.565 -11.441 -6.033 23 HB THR 4 HB THR 4 10.821 -13.619 -8.117 24 HG1 THR 4 HG1 THR 4 12.675 -14.050 -7.266 25 1HG2 THR 4 1HG2 THR 4 11.885 -10.786 -8.033 26 2HG2 THR 4 2HG2 THR 4 10.352 -11.235 -8.780 27 3HG2 THR 4 3HG2 THR 4 11.864 -11.876 -9.419 28 H ILE 5 H ILE 5 8.429 -10.837 -5.744 29 HA ILE 5 HA ILE 5 6.290 -12.397 -7.107 30 HB ILE 5 HB ILE 5 5.863 -9.938 -5.402 31 1HG1 ILE 5 2HG1 ILE 5 5.527 -12.481 -3.997 32 2HG1 ILE 5 1HG1 ILE 5 7.202 -12.213 -4.476 33 1HG2 ILE 5 1HG2 ILE 5 3.717 -10.448 -5.837 34 2HG2 ILE 5 2HG2 ILE 5 3.938 -11.979 -4.990 35 3HG2 ILE 5 3HG2 ILE 5 4.210 -11.886 -6.729 36 1HD1 ILE 5 1HD1 ILE 5 5.627 -9.995 -3.186 37 2HD1 ILE 5 2HD1 ILE 5 7.374 -10.228 -3.235 38 3HD1 ILE 5 3HD1 ILE 5 6.378 -11.243 -2.193 39 H THR 6 H THR 6 4.717 -11.179 -8.469 40 HA THR 6 HA THR 6 5.942 -8.751 -9.718 41 HB THR 6 HB THR 6 4.869 -9.560 -11.877 42 HG1 THR 6 HG1 THR 6 3.676 -11.256 -11.703 43 1HG2 THR 6 1HG2 THR 6 6.823 -11.646 -11.041 44 2HG2 THR 6 2HG2 THR 6 7.337 -9.964 -10.921 45 3HG2 THR 6 3HG2 THR 6 6.818 -10.618 -12.473 46 H VAL 7 H VAL 7 4.646 -7.010 -9.572 47 HA VAL 7 HA VAL 7 1.740 -7.431 -9.048 48 HB VAL 7 HB VAL 7 2.949 -6.117 -7.346 49 1HG1 VAL 7 1HG1 VAL 7 3.869 -3.896 -7.942 50 2HG1 VAL 7 2HG1 VAL 7 3.545 -4.225 -9.643 51 3HG1 VAL 7 3HG1 VAL 7 4.728 -5.196 -8.765 52 1HG2 VAL 7 1HG2 VAL 7 0.542 -5.595 -8.105 53 2HG2 VAL 7 2HG2 VAL 7 1.236 -4.205 -8.940 54 3HG2 VAL 7 3HG2 VAL 7 1.380 -4.344 -7.187 55 H ASN 8 H ASN 8 0.249 -6.757 -10.536 56 HA ASN 8 HA ASN 8 1.277 -5.629 -13.074 57 1HB ASN 8 2HB ASN 8 -0.374 -7.637 -12.830 58 2HB ASN 8 1HB ASN 8 -1.593 -6.388 -12.575 59 1HD2 ASN 8 1HD2 ASN 8 0.622 -7.776 -14.960 60 2HD2 ASN 8 2HD2 ASN 8 -0.005 -6.935 -16.294 61 H CYS 9 H CYS 9 0.795 -3.600 -13.792 62 HA CYS 9 HA CYS 9 -0.110 -1.582 -11.967 63 1HB CYS 9 2HB CYS 9 1.387 -1.296 -14.029 64 2HB CYS 9 1HB CYS 9 -0.094 -1.332 -14.981 65 HA PRO 10 HA PRO 10 -4.457 -2.442 -12.616 66 1HB PRO 10 2HB PRO 10 -5.306 -0.779 -10.598 67 2HB PRO 10 1HB PRO 10 -4.694 -2.420 -10.330 68 1HG PRO 10 2HG PRO 10 -3.357 0.189 -9.802 69 2HG PRO 10 1HG PRO 10 -3.099 -1.379 -9.023 70 1HD PRO 10 2HD PRO 10 -1.443 -0.211 -11.001 71 2HD PRO 10 1HD PRO 10 -1.382 -1.897 -10.443 72 H THR 11 H THR 11 -2.737 0.475 -13.134 73 HA THR 11 HA THR 11 -5.152 2.019 -13.883 74 HB THR 11 HB THR 11 -2.212 2.762 -13.796 75 HG1 THR 11 HG1 THR 11 -2.680 3.324 -11.845 76 1HG2 THR 11 1HG2 THR 11 -4.597 4.145 -14.914 77 2HG2 THR 11 2HG2 THR 11 -2.901 4.270 -15.379 78 3HG2 THR 11 3HG2 THR 11 -3.489 5.124 -13.954 79 H CYS 12 H CYS 12 -2.029 1.126 -15.446 80 HA CYS 12 HA CYS 12 -3.391 1.420 -18.083 81 1HB CYS 12 2HB CYS 12 -1.218 1.712 -19.055 82 2HB CYS 12 1HB CYS 12 -1.279 2.720 -17.612 83 H GLY 13 H GLY 13 -1.702 -0.933 -16.060 84 1HA GLY 13 2HA GLY 13 -2.129 -3.313 -16.286 85 2HA GLY 13 1HA GLY 13 -2.519 -3.050 -17.985 86 H LYS 14 H LYS 14 0.121 -3.276 -15.662 87 HA LYS 14 HA LYS 14 1.923 -4.187 -17.811 88 1HB LYS 14 2HB LYS 14 1.997 -1.547 -17.328 89 2HB LYS 14 1HB LYS 14 3.074 -2.085 -16.039 90 1HG LYS 14 2HG LYS 14 3.584 -3.389 -18.627 91 2HG LYS 14 1HG LYS 14 3.844 -1.645 -18.649 92 1HD LYS 14 2HD LYS 14 5.020 -2.350 -16.267 93 2HD LYS 14 1HD LYS 14 5.374 -3.756 -17.275 94 1HE LYS 14 2HE LYS 14 6.548 -2.480 -18.865 95 2HE LYS 14 1HE LYS 14 5.812 -0.969 -18.333 96 1HZ LYS 14 1HZ LYS 14 7.000 -1.371 -16.158 97 2HZ LYS 14 2HZ LYS 14 7.979 -0.957 -17.483 98 3HZ LYS 14 3HZ LYS 14 7.889 -2.571 -16.961 99 H THR 15 H THR 15 3.007 -5.923 -17.018 100 HA THR 15 HA THR 15 2.884 -6.586 -14.187 101 HB THR 15 HB THR 15 4.619 -7.955 -16.256 102 HG1 THR 15 HG1 THR 15 2.891 -8.762 -17.126 103 1HG2 THR 15 1HG2 THR 15 3.881 -8.431 -13.498 104 2HG2 THR 15 2HG2 THR 15 5.050 -9.291 -14.500 105 3HG2 THR 15 3HG2 THR 15 3.353 -9.769 -14.520 106 H VAL 16 H VAL 16 4.156 -5.520 -12.768 107 HA VAL 16 HA VAL 16 6.980 -4.913 -13.559 108 HB VAL 16 HB VAL 16 5.239 -3.565 -11.466 109 1HG1 VAL 16 1HG1 VAL 16 7.269 -1.889 -11.700 110 2HG1 VAL 16 2HG1 VAL 16 8.131 -3.328 -12.240 111 3HG1 VAL 16 3HG1 VAL 16 7.401 -3.289 -10.636 112 1HG2 VAL 16 1HG2 VAL 16 4.489 -2.873 -13.629 113 2HG2 VAL 16 2HG2 VAL 16 6.139 -2.775 -14.245 114 3HG2 VAL 16 3HG2 VAL 16 5.567 -1.597 -13.066 115 H VAL 17 H VAL 17 8.409 -6.264 -12.605 116 HA VAL 17 HA VAL 17 7.697 -8.114 -10.543 117 HB VAL 17 HB VAL 17 9.551 -8.491 -12.145 118 1HG1 VAL 17 1HG1 VAL 17 11.005 -6.816 -12.502 119 2HG1 VAL 17 2HG1 VAL 17 11.706 -7.173 -10.925 120 3HG1 VAL 17 3HG1 VAL 17 10.447 -5.950 -11.074 121 1HG2 VAL 17 1HG2 VAL 17 9.590 -9.847 -10.173 122 2HG2 VAL 17 2HG2 VAL 17 10.213 -8.520 -9.192 123 3HG2 VAL 17 3HG2 VAL 17 11.242 -9.275 -10.409 124 H TRP 18 H TRP 18 7.888 -8.013 -8.344 125 HA TRP 18 HA TRP 18 9.076 -5.558 -7.125 126 1HB TRP 18 2HB TRP 18 6.583 -5.371 -7.275 127 2HB TRP 18 1HB TRP 18 6.446 -6.842 -6.315 128 HD1 TRP 18 HD1 TRP 18 6.355 -6.526 -3.796 129 HE1 TRP 18 HE1 TRP 18 6.923 -4.619 -2.157 130 HE3 TRP 18 HE3 TRP 18 8.378 -3.139 -7.042 131 HZ2 TRP 18 HZ2 TRP 18 8.081 -2.009 -2.215 132 HZ3 TRP 18 HZ3 TRP 18 9.202 -0.951 -6.221 133 HH2 TRP 18 HH2 TRP 18 9.056 -0.382 -3.813 134 H GLY 19 H GLY 19 9.818 -5.884 -4.909 135 1HA GLY 19 2HA GLY 19 10.232 -7.300 -2.973 136 2HA GLY 19 1HA GLY 19 9.921 -8.716 -3.979 137 H GLU 20 H GLU 20 12.299 -6.356 -3.015 138 HA GLU 20 HA GLU 20 14.628 -6.312 -3.226 139 1HB GLU 20 2HB GLU 20 13.918 -9.178 -3.565 140 2HB GLU 20 1HB GLU 20 15.517 -8.706 -4.139 141 1HG GLU 20 2HG GLU 20 16.296 -8.516 -2.032 142 2HG GLU 20 1HG GLU 20 14.946 -7.478 -1.572 143 H ILE 21 H ILE 21 12.793 -5.732 -5.581 144 HA ILE 21 HA ILE 21 14.783 -5.131 -7.516 145 HB ILE 21 HB ILE 21 14.864 -7.503 -8.019 146 1HG1 ILE 21 2HG1 ILE 21 13.044 -6.382 -10.138 147 2HG1 ILE 21 1HG1 ILE 21 14.644 -5.691 -9.881 148 1HG2 ILE 21 1HG2 ILE 21 13.073 -8.890 -7.940 149 2HG2 ILE 21 2HG2 ILE 21 12.080 -7.797 -8.903 150 3HG2 ILE 21 3HG2 ILE 21 12.229 -7.550 -7.165 151 1HD1 ILE 21 1HD1 ILE 21 14.839 -7.394 -11.591 152 2HD1 ILE 21 2HD1 ILE 21 13.996 -8.567 -10.581 153 3HD1 ILE 21 3HD1 ILE 21 15.604 -8.007 -10.125 154 H SER 22 H SER 22 13.801 -3.166 -7.811 155 HA SER 22 HA SER 22 10.995 -3.202 -8.846 156 1HB SER 22 2HB SER 22 10.756 -0.933 -7.725 157 2HB SER 22 1HB SER 22 10.847 -2.310 -6.632 158 HG SER 22 HG SER 22 12.239 -0.392 -6.201 159 HA PRO 23 HA PRO 23 13.531 -1.139 -12.023 160 1HB PRO 23 2HB PRO 23 12.106 -2.216 -14.115 161 2HB PRO 23 1HB PRO 23 13.472 -3.034 -13.337 162 1HG PRO 23 2HG PRO 23 10.554 -3.605 -13.086 163 2HG PRO 23 1HG PRO 23 11.933 -4.699 -12.884 164 1HD PRO 23 2HD PRO 23 10.440 -3.514 -10.793 165 2HD PRO 23 1HD PRO 23 12.011 -4.328 -10.624 166 H PHE 24 H PHE 24 9.988 -1.518 -11.843 167 HA PHE 24 HA PHE 24 9.705 1.332 -12.695 168 1HB PHE 24 2HB PHE 24 8.262 -1.117 -13.659 169 2HB PHE 24 1HB PHE 24 7.395 0.417 -13.601 170 HD1 PHE 24 HD1 PHE 24 8.162 2.354 -14.941 171 HD2 PHE 24 HD2 PHE 24 10.073 -1.480 -15.229 172 HE1 PHE 24 HE1 PHE 24 9.258 3.062 -17.048 173 HE2 PHE 24 HE2 PHE 24 11.172 -0.773 -17.337 174 HZ PHE 24 HZ PHE 24 10.764 1.497 -18.248 175 H ARG 25 H ARG 25 9.869 0.257 -9.994 176 HA ARG 25 HA ARG 25 8.819 0.567 -7.938 177 1HB ARG 25 2HB ARG 25 7.548 2.452 -9.743 178 2HB ARG 25 1HB ARG 25 6.405 1.890 -8.525 179 1HG ARG 25 2HG ARG 25 7.679 2.712 -6.754 180 2HG ARG 25 1HG ARG 25 9.178 2.675 -7.680 181 1HD ARG 25 2HD ARG 25 6.907 4.529 -8.406 182 2HD ARG 25 1HD ARG 25 8.143 4.986 -7.234 183 HE ARG 25 HE ARG 25 9.817 4.782 -9.043 184 1HH1 ARG 25 2HH1 ARG 25 7.734 6.811 -9.906 185 2HH1 ARG 25 1HH1 ARG 25 7.447 6.329 -11.544 186 1HH2 ARG 25 1HH2 ARG 25 8.903 3.202 -11.149 187 2HH2 ARG 25 2HH2 ARG 25 8.103 4.272 -12.249 188 HA PRO 26 HA PRO 26 5.678 -2.467 -7.414 189 1HB PRO 26 2HB PRO 26 4.045 -1.428 -5.463 190 2HB PRO 26 1HB PRO 26 5.678 -2.042 -5.155 191 1HG PRO 26 2HG PRO 26 4.726 0.780 -5.269 192 2HG PRO 26 1HG PRO 26 6.102 0.095 -4.389 193 1HD PRO 26 2HD PRO 26 6.232 1.531 -6.821 194 2HD PRO 26 1HD PRO 26 7.544 0.575 -6.101 195 H PHE 27 H PHE 27 4.915 0.102 -9.209 196 HA PHE 27 HA PHE 27 2.077 -0.731 -9.552 197 1HB PHE 27 2HB PHE 27 3.216 2.039 -9.315 198 2HB PHE 27 1HB PHE 27 1.785 1.764 -10.307 199 HD1 PHE 27 HD1 PHE 27 3.082 2.064 -6.937 200 HD2 PHE 27 HD2 PHE 27 -0.259 0.693 -9.262 201 HE1 PHE 27 HE1 PHE 27 1.669 2.054 -4.900 202 HE2 PHE 27 HE2 PHE 27 -1.672 0.682 -7.223 203 HZ PHE 27 HZ PHE 27 -0.708 1.363 -5.042 204 H CYS 28 H CYS 28 4.319 1.496 -11.185 205 HA CYS 28 HA CYS 28 5.056 -0.037 -13.403 206 1HB CYS 28 2HB CYS 28 2.902 -0.448 -14.190 207 2HB CYS 28 1HB CYS 28 2.284 1.087 -13.589 208 H SER 29 H SER 29 3.790 3.127 -12.413 209 HA SER 29 HA SER 29 6.239 4.462 -13.267 210 1HB SER 29 2HB SER 29 4.236 4.173 -15.216 211 2HB SER 29 1HB SER 29 4.059 5.823 -14.629 212 HG SER 29 HG SER 29 5.596 5.927 -16.180 213 H LYS 30 H LYS 30 5.885 6.956 -13.020 214 HA LYS 30 HA LYS 30 4.878 7.440 -10.365 215 1HB LYS 30 2HB LYS 30 6.285 8.943 -12.439 216 2HB LYS 30 1HB LYS 30 5.106 9.936 -11.579 217 1HG LYS 30 2HG LYS 30 6.172 8.670 -9.474 218 2HG LYS 30 1HG LYS 30 7.563 8.596 -10.557 219 1HD LYS 30 2HD LYS 30 8.035 10.735 -10.048 220 2HD LYS 30 1HD LYS 30 6.501 11.218 -10.772 221 1HE LYS 30 2HE LYS 30 5.590 10.304 -8.407 222 2HE LYS 30 1HE LYS 30 7.201 10.818 -7.912 223 1HZ LYS 30 1HZ LYS 30 5.685 12.640 -7.685 224 2HZ LYS 30 2HZ LYS 30 5.157 12.475 -9.291 225 3HZ LYS 30 3HZ LYS 30 6.745 12.979 -8.967 226 H ARG 31 H ARG 31 3.696 8.358 -13.603 227 HA ARG 31 HA ARG 31 1.348 9.725 -12.696 228 1HB ARG 31 2HB ARG 31 2.449 9.727 -15.037 229 2HB ARG 31 1HB ARG 31 1.531 8.246 -15.316 230 1HG ARG 31 2HG ARG 31 -0.328 9.980 -14.175 231 2HG ARG 31 1HG ARG 31 0.607 11.008 -15.263 232 1HD ARG 31 2HD ARG 31 0.302 8.940 -16.907 233 2HD ARG 31 1HD ARG 31 -1.122 8.658 -15.902 234 HE ARG 31 HE ARG 31 -1.345 11.322 -16.485 235 1HH1 ARG 31 2HH1 ARG 31 0.356 9.802 -18.816 236 2HH1 ARG 31 1HH1 ARG 31 -0.862 9.840 -20.046 237 1HH2 ARG 31 1HH2 ARG 31 -3.402 10.824 -17.878 238 2HH2 ARG 31 2HH2 ARG 31 -2.996 10.423 -19.515 239 H CYS 32 H CYS 32 1.902 6.335 -13.695 240 HA CYS 32 HA CYS 32 -0.798 5.447 -13.499 241 1HB CYS 32 2HB CYS 32 1.851 4.031 -13.170 242 2HB CYS 32 1HB CYS 32 0.316 3.175 -13.024 243 H GLN 33 H GLN 33 1.801 5.548 -11.046 244 HA GLN 33 HA GLN 33 0.226 4.423 -8.910 245 1HB GLN 33 2HB GLN 33 2.725 4.587 -8.887 246 2HB GLN 33 1HB GLN 33 2.577 6.334 -8.703 247 1HG GLN 33 2HG GLN 33 0.890 5.247 -6.732 248 2HG GLN 33 1HG GLN 33 2.348 4.258 -6.689 249 1HE2 GLN 33 1HE2 GLN 33 4.371 5.299 -6.094 250 2HE2 GLN 33 2HE2 GLN 33 4.407 6.860 -5.428 251 H LEU 34 H LEU 34 0.655 7.699 -10.172 252 HA LEU 34 HA LEU 34 -0.576 9.148 -8.037 253 1HB LEU 34 2HB LEU 34 0.595 9.833 -10.426 254 2HB LEU 34 1HB LEU 34 -1.105 10.114 -10.791 255 HG LEU 34 HG LEU 34 -1.328 11.661 -8.951 256 1HD1 LEU 34 1HD1 LEU 34 -0.006 10.622 -7.232 257 2HD1 LEU 34 2HD1 LEU 34 0.761 12.175 -7.558 258 3HD1 LEU 34 3HD1 LEU 34 1.454 10.694 -8.217 259 1HD2 LEU 34 1HD2 LEU 34 0.347 12.070 -11.135 260 2HD2 LEU 34 2HD2 LEU 34 1.295 12.662 -9.772 261 3HD2 LEU 34 3HD2 LEU 34 -0.308 13.326 -10.087 262 H ILE 35 H ILE 35 -2.020 8.209 -11.185 263 HA ILE 35 HA ILE 35 -4.712 8.749 -10.595 264 HB ILE 35 HB ILE 35 -3.551 6.508 -12.284 265 1HG1 ILE 35 2HG1 ILE 35 -4.775 8.934 -13.477 266 2HG1 ILE 35 1HG1 ILE 35 -3.249 9.192 -12.638 267 1HG2 ILE 35 1HG2 ILE 35 -6.336 7.405 -11.743 268 2HG2 ILE 35 2HG2 ILE 35 -5.737 5.814 -12.215 269 3HG2 ILE 35 3HG2 ILE 35 -5.931 7.080 -13.427 270 1HD1 ILE 35 1HD1 ILE 35 -3.100 6.800 -14.254 271 2HD1 ILE 35 2HD1 ILE 35 -2.098 8.247 -14.325 272 3HD1 ILE 35 3HD1 ILE 35 -3.602 8.171 -15.242 273 H ASP 36 H ASP 36 -2.734 6.017 -9.563 274 HA ASP 36 HA ASP 36 -4.811 4.251 -8.737 275 1HB ASP 36 2HB ASP 36 -1.923 4.515 -8.315 276 2HB ASP 36 1HB ASP 36 -2.757 3.825 -6.923 277 H LEU 37 H LEU 37 -3.438 7.106 -7.159 278 HA LEU 37 HA LEU 37 -4.620 6.568 -4.561 279 1HB LEU 37 2HB LEU 37 -3.212 8.836 -5.864 280 2HB LEU 37 1HB LEU 37 -4.294 9.255 -4.538 281 HG LEU 37 HG LEU 37 -2.439 6.948 -4.136 282 1HD1 LEU 37 1HD1 LEU 37 -0.913 8.993 -3.190 283 2HD1 LEU 37 2HD1 LEU 37 -1.595 9.749 -4.629 284 3HD1 LEU 37 3HD1 LEU 37 -0.673 8.254 -4.773 285 1HD2 LEU 37 1HD2 LEU 37 -3.051 9.219 -2.250 286 2HD2 LEU 37 2HD2 LEU 37 -2.644 7.547 -1.869 287 3HD2 LEU 37 3HD2 LEU 37 -4.235 7.940 -2.520 288 H GLY 38 H GLY 38 -5.459 8.977 -7.093 289 1HA GLY 38 2HA GLY 38 -7.782 9.108 -7.920 290 2HA GLY 38 1HA GLY 38 -8.328 8.610 -6.323 291 H GLU 39 H GLU 39 -5.779 11.010 -6.595 292 HA GLU 39 HA GLU 39 -7.771 13.148 -5.927 293 1HB GLU 39 2HB GLU 39 -5.166 12.433 -4.593 294 2HB GLU 39 1HB GLU 39 -5.739 14.099 -4.559 295 1HG GLU 39 2HG GLU 39 -6.946 13.477 -2.748 296 2HG GLU 39 1HG GLU 39 -8.011 12.665 -3.896 297 H TRP 40 H TRP 40 -6.852 12.611 -8.547 298 HA TRP 40 HA TRP 40 -5.211 15.051 -9.079 299 1HB TRP 40 2HB TRP 40 -4.869 12.562 -10.736 300 2HB TRP 40 1HB TRP 40 -3.764 13.926 -10.539 301 HD1 TRP 40 HD1 TRP 40 -4.506 10.555 -9.211 302 HE1 TRP 40 HE1 TRP 40 -3.103 10.080 -7.108 303 HE3 TRP 40 HE3 TRP 40 -2.691 15.234 -8.268 304 HZ2 TRP 40 HZ2 TRP 40 -1.442 11.475 -5.270 305 HZ3 TRP 40 HZ3 TRP 40 -1.198 15.631 -6.330 306 HH2 TRP 40 HH2 TRP 40 -0.569 13.759 -4.829 307 H ALA 41 H ALA 41 -5.952 16.267 -10.818 308 HA ALA 41 HA ALA 41 -8.451 15.302 -12.121 309 1HB ALA 41 1HB ALA 41 -8.623 17.760 -12.809 310 2HB ALA 41 2HB ALA 41 -7.254 18.051 -11.737 311 3HB ALA 41 3HB ALA 41 -8.768 17.423 -11.084 312 H ALA 42 H ALA 42 -5.327 16.850 -12.968 313 HA ALA 42 HA ALA 42 -5.835 16.292 -15.831 314 1HB ALA 42 1HB ALA 42 -3.871 17.949 -14.294 315 2HB ALA 42 2HB ALA 42 -4.873 18.393 -15.675 316 3HB ALA 42 3HB ALA 42 -3.428 17.413 -15.913 317 H GLU 43 H GLU 43 -5.126 14.157 -13.660 318 HA GLU 43 HA GLU 43 -2.721 13.031 -15.035 319 1HB GLU 43 2HB GLU 43 -3.848 12.579 -12.264 320 2HB GLU 43 1HB GLU 43 -2.640 11.509 -12.976 321 1HG GLU 43 2HG GLU 43 -2.312 14.507 -12.624 322 2HG GLU 43 1HG GLU 43 -1.606 13.285 -11.569 323 H GLU 44 H GLU 44 -5.600 11.701 -13.328 324 HA GLU 44 HA GLU 44 -5.666 9.391 -15.105 325 1HB GLU 44 2HB GLU 44 -7.844 8.880 -13.963 326 2HB GLU 44 1HB GLU 44 -6.514 9.116 -12.832 327 1HG GLU 44 2HG GLU 44 -7.470 11.677 -13.083 328 2HG GLU 44 1HG GLU 44 -8.951 10.732 -13.237 329 H LYS 45 H LYS 45 -6.630 9.313 -17.060 330 HA LYS 45 HA LYS 45 -8.672 11.394 -17.718 331 1HB LYS 45 2HB LYS 45 -6.054 10.967 -18.866 332 2HB LYS 45 1HB LYS 45 -7.297 10.710 -20.090 333 1HG LYS 45 2HG LYS 45 -7.999 13.003 -18.508 334 2HG LYS 45 1HG LYS 45 -6.339 13.183 -19.077 335 1HD LYS 45 2HD LYS 45 -6.992 13.447 -21.230 336 2HD LYS 45 1HD LYS 45 -8.151 12.124 -21.118 337 1HE LYS 45 2HE LYS 45 -9.582 13.742 -19.714 338 2HE LYS 45 1HE LYS 45 -8.549 15.014 -20.353 339 1HZ LYS 45 1HZ LYS 45 -10.431 14.783 -21.770 340 2HZ LYS 45 2HZ LYS 45 -10.215 13.109 -21.903 341 3HZ LYS 45 3HZ LYS 45 -9.089 14.168 -22.608 342 H ARG 46 H ARG 46 -7.217 8.407 -19.031 343 HA ARG 46 HA ARG 46 -9.766 7.633 -20.255 344 1HB ARG 46 2HB ARG 46 -6.969 6.851 -20.461 345 2HB ARG 46 1HB ARG 46 -8.028 5.444 -20.358 346 1HG ARG 46 2HG ARG 46 -9.473 6.697 -22.128 347 2HG ARG 46 1HG ARG 46 -8.010 7.645 -22.409 348 1HD ARG 46 2HD ARG 46 -7.893 5.835 -23.953 349 2HD ARG 46 1HD ARG 46 -6.783 5.415 -22.649 350 HE ARG 46 HE ARG 46 -9.465 4.341 -22.235 351 1HH1 ARG 46 2HH1 ARG 46 -8.490 3.417 -24.969 352 2HH1 ARG 46 1HH1 ARG 46 -7.703 1.929 -24.558 353 1HH2 ARG 46 1HH2 ARG 46 -7.552 2.639 -21.165 354 2HH2 ARG 46 2HH2 ARG 46 -7.170 1.491 -22.401 355 H ILE 47 H ILE 47 -7.602 6.224 -17.770 356 HA ILE 47 HA ILE 47 -9.952 4.682 -16.744 357 HB ILE 47 HB ILE 47 -6.987 4.100 -16.479 358 1HG1 ILE 47 2HG1 ILE 47 -8.513 2.084 -17.854 359 2HG1 ILE 47 1HG1 ILE 47 -8.792 3.643 -18.630 360 1HG2 ILE 47 1HG2 ILE 47 -8.052 3.181 -14.574 361 2HG2 ILE 47 2HG2 ILE 47 -7.938 1.842 -15.715 362 3HG2 ILE 47 3HG2 ILE 47 -9.468 2.691 -15.502 363 1HD1 ILE 47 1HD1 ILE 47 -6.432 1.975 -18.720 364 2HD1 ILE 47 2HD1 ILE 47 -6.028 3.557 -18.051 365 3HD1 ILE 47 3HD1 ILE 47 -6.786 3.439 -19.638 366 HA PRO 48 HA PRO 48 -9.428 7.367 -13.198 367 1HB PRO 48 2HB PRO 48 -11.654 6.431 -11.872 368 2HB PRO 48 1HB PRO 48 -11.718 7.629 -13.175 369 1HG PRO 48 2HG PRO 48 -12.455 4.739 -13.246 370 2HG PRO 48 1HG PRO 48 -13.061 6.076 -14.237 371 1HD PRO 48 2HD PRO 48 -11.153 4.156 -15.052 372 2HD PRO 48 1HD PRO 48 -11.507 5.688 -15.878 373 H SER 49 H SER 49 -10.560 4.008 -12.577 374 HA SER 49 HA SER 49 -9.763 2.351 -11.137 375 1HB SER 49 2HB SER 49 -7.432 3.735 -12.117 376 2HB SER 49 1HB SER 49 -7.165 3.253 -10.444 377 HG SER 49 HG SER 49 -7.502 1.161 -10.995 378 H SER 50 H SER 50 -8.660 2.097 -8.864 379 HA SER 50 HA SER 50 -8.634 2.617 -6.584 380 1HB SER 50 2HB SER 50 -7.638 4.845 -7.606 381 2HB SER 50 1HB SER 50 -9.204 5.511 -7.151 382 HG SER 50 HG SER 50 -7.086 4.907 -5.603 383 H GLY 51 H GLY 51 -10.460 1.752 -5.694 384 1HA GLY 51 2HA GLY 51 -12.598 1.892 -4.649 385 2HA GLY 51 1HA GLY 51 -12.867 3.439 -5.458 386 H ASP 52 H ASP 52 -12.768 3.049 -8.041 387 HA ASP 52 HA ASP 52 -14.954 1.149 -8.585 388 1HB ASP 52 2HB ASP 52 -15.134 2.244 -10.733 389 2HB ASP 52 1HB ASP 52 -14.938 3.501 -9.513 390 H LEU 53 H LEU 53 -14.790 -0.500 -10.209 391 HA LEU 53 HA LEU 53 -12.132 -1.733 -10.357 392 1HB LEU 53 2HB LEU 53 -14.735 -2.715 -10.340 393 2HB LEU 53 1HB LEU 53 -14.214 -2.954 -12.009 394 HG LEU 53 HG LEU 53 -12.097 -3.642 -10.140 395 1HD1 LEU 53 1HD1 LEU 53 -13.785 -5.851 -9.775 396 2HD1 LEU 53 2HD1 LEU 53 -14.799 -4.451 -9.430 397 3HD1 LEU 53 3HD1 LEU 53 -13.295 -4.689 -8.543 398 1HD2 LEU 53 1HD2 LEU 53 -13.366 -5.761 -11.743 399 2HD2 LEU 53 2HD2 LEU 53 -11.698 -5.190 -11.757 400 3HD2 LEU 53 3HD2 LEU 53 -12.931 -4.332 -12.681 401 H SER 54 H SER 54 -10.725 -1.229 -11.950 402 HA SER 54 HA SER 54 -11.789 -0.008 -14.452 403 1HB SER 54 2HB SER 54 -9.177 0.160 -12.981 404 2HB SER 54 1HB SER 54 -9.223 0.506 -14.708 405 HG SER 54 HG SER 54 -9.585 2.375 -13.460 406 H GLU 55 H GLU 55 -8.783 -1.859 -13.847 407 HA GLU 55 HA GLU 55 -9.654 -4.081 -15.527 408 1HB GLU 55 2HB GLU 55 -7.927 -3.675 -17.301 409 2HB GLU 55 1HB GLU 55 -9.219 -2.476 -17.294 410 1HG GLU 55 2HG GLU 55 -7.576 -0.917 -17.210 411 2HG GLU 55 1HG GLU 55 -7.365 -1.400 -15.528 412 H SER 56 H SER 56 -7.770 -5.600 -15.962 413 HA SER 56 HA SER 56 -5.479 -5.334 -14.112 414 1HB SER 56 2HB SER 56 -5.923 -7.560 -13.092 415 2HB SER 56 1HB SER 56 -7.189 -6.399 -12.708 416 HG SER 56 HG SER 56 -8.303 -8.119 -13.404 417 H ASP 57 H ASP 57 -5.706 -5.367 -17.007 418 HA ASP 57 HA ASP 57 -4.183 -7.875 -17.586 419 1HB ASP 57 2HB ASP 57 -6.691 -7.374 -18.570 420 2HB ASP 57 1HB ASP 57 -5.678 -6.693 -19.842 421 H ASP 58 H ASP 58 -2.579 -7.658 -19.268 422 HA ASP 58 HA ASP 58 -1.248 -5.066 -19.286 423 1HB ASP 58 2HB ASP 58 -0.673 -7.817 -20.233 424 2HB ASP 58 1HB ASP 58 0.073 -6.525 -21.172 425 H TRP 59 H TRP 59 -2.868 -7.095 -21.744 426 HA TRP 59 HA TRP 59 -2.747 -4.860 -23.693 427 1HB TRP 59 2HB TRP 59 -3.689 -7.733 -23.937 428 2HB TRP 59 1HB TRP 59 -3.754 -6.564 -25.255 429 HD1 TRP 59 HD1 TRP 59 -1.462 -5.807 -26.360 430 HE1 TRP 59 HE1 TRP 59 0.911 -6.816 -26.288 431 HE3 TRP 59 HE3 TRP 59 -1.973 -9.029 -22.412 432 HZ2 TRP 59 HZ2 TRP 59 2.393 -8.726 -24.766 433 HZ3 TRP 59 HZ3 TRP 59 -0.061 -10.426 -21.679 434 HH2 TRP 59 HH2 TRP 59 2.119 -10.278 -22.851 435 H SER 60 H SER 60 -5.194 -6.979 -22.156 436 HA SER 60 HA SER 60 -7.466 -5.583 -23.224 437 1HB SER 60 2HB SER 60 -7.008 -7.847 -21.576 438 2HB SER 60 1HB SER 60 -8.059 -6.771 -20.661 439 HG SER 60 HG SER 60 -9.405 -7.929 -21.931 440 H GLU 61 H GLU 61 -7.513 -3.389 -22.880 441 HA GLU 61 HA GLU 61 -7.144 -2.377 -20.092 442 1HB GLU 61 2HB GLU 61 -6.474 -1.360 -22.760 443 2HB GLU 61 1HB GLU 61 -7.313 -0.174 -21.762 444 1HG GLU 61 2HG GLU 61 -5.056 0.162 -21.196 445 2HG GLU 61 1HG GLU 61 -5.643 -0.881 -19.901 446 H GLU 62 H GLU 62 -8.861 -1.397 -19.051 447 HA GLU 62 HA GLU 62 -11.252 -0.642 -20.631 448 1HB GLU 62 2HB GLU 62 -11.439 -3.063 -19.812 449 2HB GLU 62 1HB GLU 62 -11.533 -2.390 -18.184 450 1HG GLU 62 2HG GLU 62 -13.323 -0.884 -19.797 451 2HG GLU 62 1HG GLU 62 -13.615 -2.585 -20.161 452 HA PRO 63 HA PRO 63 -10.947 2.649 -17.648 453 1HB PRO 63 2HB PRO 63 -12.926 4.172 -18.797 454 2HB PRO 63 1HB PRO 63 -11.271 4.082 -19.420 455 1HG PRO 63 2HG PRO 63 -13.752 2.845 -20.514 456 2HG PRO 63 1HG PRO 63 -12.264 3.310 -21.355 457 1HD PRO 63 2HD PRO 63 -12.996 0.685 -20.583 458 2HD PRO 63 1HD PRO 63 -11.395 1.207 -21.149 459 H LYS 64 H LYS 64 -14.208 1.574 -18.701 460 HA LYS 64 HA LYS 64 -15.051 1.324 -15.869 461 1HB LYS 64 2HB LYS 64 -15.787 3.532 -17.556 462 2HB LYS 64 1HB LYS 64 -17.219 2.543 -17.258 463 1HG LYS 64 2HG LYS 64 -16.992 2.731 -14.903 464 2HG LYS 64 1HG LYS 64 -15.349 3.361 -15.037 465 1HD LYS 64 2HD LYS 64 -16.266 5.370 -16.204 466 2HD LYS 64 1HD LYS 64 -17.894 4.760 -15.902 467 1HE LYS 64 2HE LYS 64 -17.850 5.409 -13.735 468 2HE LYS 64 1HE LYS 64 -16.223 4.768 -13.501 469 1HZ LYS 64 1HZ LYS 64 -15.256 6.725 -14.078 470 2HZ LYS 64 2HZ LYS 64 -16.704 7.335 -13.428 471 3HZ LYS 64 3HZ LYS 64 -16.516 7.195 -15.114 472 H GLN 65 HN GLN 65 -16.389 1.253 -19.189 473 HA GLN 65 HA GLN 65 -17.523 -1.445 -18.564 474 1HB GLN 65 2HB GLN 65 -18.651 0.947 -19.926 475 2HB GLN 65 1HB GLN 65 -19.059 -0.620 -20.626 476 1HG GLN 65 2HG GLN 65 -20.508 -1.046 -18.953 477 2HG GLN 65 1HG GLN 65 -19.262 -0.729 -17.745 478 1HE2 GLN 65 1HE2 GLN 65 -19.308 1.304 -16.661 479 2HE2 GLN 65 2HE2 GLN 65 -20.447 2.515 -16.999 Start of MODEL 20 1 H MET 1 1H MET 1 6.541 -23.101 -9.054 2 HA MET 1 HA MET 1 6.603 -21.962 -6.310 3 1HB MET 1 2HB MET 1 8.073 -24.035 -7.003 4 2HB MET 1 1HB MET 1 9.007 -22.830 -7.887 5 1HG MET 1 2HG MET 1 8.676 -21.587 -5.463 6 2HG MET 1 1HG MET 1 8.789 -23.280 -4.979 7 1HE MET 1 1HE MET 1 12.021 -20.450 -6.101 8 2HE MET 1 2HE MET 1 10.403 -20.228 -5.446 9 3HE MET 1 3HE MET 1 10.619 -20.439 -7.182 10 H SER 2 H SER 2 7.238 -19.833 -6.230 11 HA SER 2 HA SER 2 7.926 -18.531 -8.835 12 1HB SER 2 2HB SER 2 5.844 -17.964 -6.941 13 2HB SER 2 1HB SER 2 6.953 -16.597 -6.987 14 HG SER 2 HG SER 2 5.804 -17.866 -9.260 15 H GLU 3 H GLU 3 9.996 -17.868 -8.872 16 HA GLU 3 HA GLU 3 11.497 -17.460 -6.370 17 1HB GLU 3 2HB GLU 3 12.190 -18.304 -8.947 18 2HB GLU 3 1HB GLU 3 12.877 -16.684 -8.825 19 1HG GLU 3 2HG GLU 3 13.257 -18.362 -6.421 20 2HG GLU 3 1HG GLU 3 14.093 -18.940 -7.862 21 H THR 4 H THR 4 10.552 -15.533 -9.236 22 HA THR 4 HA THR 4 11.064 -13.058 -7.632 23 HB THR 4 HB THR 4 10.919 -13.326 -10.654 24 HG1 THR 4 HG1 THR 4 13.099 -13.253 -8.848 25 1HG2 THR 4 1HG2 THR 4 10.927 -11.079 -8.831 26 2HG2 THR 4 2HG2 THR 4 10.763 -11.083 -10.586 27 3HG2 THR 4 3HG2 THR 4 12.365 -11.044 -9.852 28 H ILE 5 H ILE 5 9.251 -11.977 -7.022 29 HA ILE 5 HA ILE 5 6.632 -12.788 -8.088 30 HB ILE 5 HB ILE 5 7.157 -10.531 -6.142 31 1HG1 ILE 5 2HG1 ILE 5 6.411 -12.969 -4.816 32 2HG1 ILE 5 1HG1 ILE 5 7.848 -13.280 -5.789 33 1HG2 ILE 5 1HG2 ILE 5 4.824 -12.265 -6.907 34 2HG2 ILE 5 2HG2 ILE 5 4.891 -10.513 -6.714 35 3HG2 ILE 5 3HG2 ILE 5 4.896 -11.556 -5.293 36 1HD1 ILE 5 1HD1 ILE 5 8.950 -12.418 -3.988 37 2HD1 ILE 5 2HD1 ILE 5 7.522 -11.569 -3.396 38 3HD1 ILE 5 3HD1 ILE 5 8.493 -10.866 -4.691 39 H THR 6 H THR 6 5.087 -11.157 -8.930 40 HA THR 6 HA THR 6 6.350 -8.731 -10.101 41 HB THR 6 HB THR 6 5.048 -9.302 -12.263 42 HG1 THR 6 HG1 THR 6 3.998 -11.099 -12.153 43 1HG2 THR 6 1HG2 THR 6 7.448 -9.316 -12.265 44 2HG2 THR 6 2HG2 THR 6 6.926 -10.811 -13.038 45 3HG2 THR 6 3HG2 THR 6 7.498 -10.836 -11.371 46 H VAL 7 H VAL 7 5.075 -7.010 -9.672 47 HA VAL 7 HA VAL 7 2.222 -7.462 -8.952 48 HB VAL 7 HB VAL 7 4.078 -5.089 -8.569 49 1HG1 VAL 7 1HG1 VAL 7 1.651 -4.877 -7.060 50 2HG1 VAL 7 2HG1 VAL 7 1.227 -5.119 -8.754 51 3HG1 VAL 7 3HG1 VAL 7 2.272 -3.776 -8.291 52 1HG2 VAL 7 1HG2 VAL 7 3.755 -5.622 -6.173 53 2HG2 VAL 7 2HG2 VAL 7 4.444 -6.994 -7.043 54 3HG2 VAL 7 3HG2 VAL 7 2.732 -6.988 -6.618 55 H ASN 8 H ASN 8 0.679 -7.015 -10.457 56 HA ASN 8 HA ASN 8 1.437 -5.699 -12.971 57 1HB ASN 8 2HB ASN 8 -0.196 -7.724 -12.628 58 2HB ASN 8 1HB ASN 8 -1.384 -6.470 -12.274 59 1HD2 ASN 8 1HD2 ASN 8 0.675 -7.823 -14.828 60 2HD2 ASN 8 2HD2 ASN 8 -0.049 -6.970 -16.104 61 H CYS 9 H CYS 9 0.959 -3.632 -13.538 62 HA CYS 9 HA CYS 9 0.099 -1.726 -11.553 63 1HB CYS 9 2HB CYS 9 1.623 -1.348 -13.607 64 2HB CYS 9 1HB CYS 9 0.129 -1.239 -14.537 65 HA PRO 10 HA PRO 10 -4.251 -2.470 -12.295 66 1HB PRO 10 2HB PRO 10 -5.112 -0.845 -10.252 67 2HB PRO 10 1HB PRO 10 -4.523 -2.499 -10.014 68 1HG PRO 10 2HG PRO 10 -3.160 0.082 -9.407 69 2HG PRO 10 1HG PRO 10 -2.940 -1.507 -8.657 70 1HD PRO 10 2HD PRO 10 -1.227 -0.329 -10.578 71 2HD PRO 10 1HD PRO 10 -1.211 -2.030 -10.064 72 H THR 11 H THR 11 -2.514 0.472 -12.683 73 HA THR 11 HA THR 11 -4.889 2.083 -13.369 74 HB THR 11 HB THR 11 -1.925 2.715 -13.512 75 HG1 THR 11 HG1 THR 11 -2.162 3.302 -11.522 76 1HG2 THR 11 1HG2 THR 11 -3.956 3.980 -14.891 77 2HG2 THR 11 2HG2 THR 11 -2.426 4.724 -14.429 78 3HG2 THR 11 3HG2 THR 11 -3.850 4.931 -13.409 79 H CYS 12 H CYS 12 -1.949 0.915 -15.076 80 HA CYS 12 HA CYS 12 -3.386 1.370 -17.655 81 1HB CYS 12 2HB CYS 12 -1.190 1.388 -18.706 82 2HB CYS 12 1HB CYS 12 -1.180 2.498 -17.335 83 H GLY 13 H GLY 13 -2.023 -1.149 -15.635 84 1HA GLY 13 2HA GLY 13 -2.493 -3.483 -15.861 85 2HA GLY 13 1HA GLY 13 -3.071 -3.186 -17.503 86 H LYS 14 H LYS 14 -0.125 -3.337 -15.528 87 HA LYS 14 HA LYS 14 1.350 -4.408 -17.870 88 1HB LYS 14 2HB LYS 14 1.525 -1.744 -17.328 89 2HB LYS 14 1HB LYS 14 2.823 -2.365 -16.310 90 1HG LYS 14 2HG LYS 14 3.411 -3.748 -18.505 91 2HG LYS 14 1HG LYS 14 2.556 -2.416 -19.286 92 1HD LYS 14 2HD LYS 14 4.114 -0.837 -18.621 93 2HD LYS 14 1HD LYS 14 4.589 -1.758 -17.194 94 1HE LYS 14 2HE LYS 14 5.413 -3.497 -19.046 95 2HE LYS 14 1HE LYS 14 5.518 -2.029 -20.018 96 1HZ LYS 14 1HZ LYS 14 6.869 -2.593 -17.440 97 2HZ LYS 14 2HZ LYS 14 6.796 -1.038 -18.123 98 3HZ LYS 14 3HZ LYS 14 7.589 -2.296 -18.946 99 H THR 15 H THR 15 2.760 -6.010 -17.237 100 HA THR 15 HA THR 15 2.834 -6.781 -14.424 101 HB THR 15 HB THR 15 4.459 -7.923 -16.719 102 HG1 THR 15 HG1 THR 15 2.627 -8.644 -17.399 103 1HG2 THR 15 1HG2 THR 15 4.425 -9.963 -15.283 104 2HG2 THR 15 2HG2 THR 15 3.616 -9.031 -14.025 105 3HG2 THR 15 3HG2 THR 15 5.257 -8.609 -14.516 106 H VAL 16 H VAL 16 4.103 -5.679 -13.040 107 HA VAL 16 HA VAL 16 6.778 -4.714 -13.972 108 HB VAL 16 HB VAL 16 5.167 -3.849 -11.545 109 1HG1 VAL 16 1HG1 VAL 16 6.806 -2.082 -11.333 110 2HG1 VAL 16 2HG1 VAL 16 7.593 -2.567 -12.834 111 3HG1 VAL 16 3HG1 VAL 16 7.676 -3.614 -11.418 112 1HG2 VAL 16 1HG2 VAL 16 4.471 -3.297 -14.092 113 2HG2 VAL 16 2HG2 VAL 16 5.672 -2.029 -13.852 114 3HG2 VAL 16 3HG2 VAL 16 4.271 -2.130 -12.785 115 H VAL 17 H VAL 17 8.613 -5.484 -12.912 116 HA VAL 17 HA VAL 17 8.413 -7.934 -11.445 117 HB VAL 17 HB VAL 17 10.408 -7.155 -12.796 118 1HG1 VAL 17 1HG1 VAL 17 10.612 -4.883 -11.935 119 2HG1 VAL 17 2HG1 VAL 17 12.084 -5.779 -11.558 120 3HG1 VAL 17 3HG1 VAL 17 10.881 -5.494 -10.302 121 1HG2 VAL 17 1HG2 VAL 17 12.062 -8.141 -11.179 122 2HG2 VAL 17 2HG2 VAL 17 10.596 -9.102 -11.368 123 3HG2 VAL 17 3HG2 VAL 17 10.808 -8.090 -9.939 124 H TRP 18 H TRP 18 8.456 -8.367 -9.266 125 HA TRP 18 HA TRP 18 8.304 -6.018 -7.416 126 1HB TRP 18 2HB TRP 18 6.184 -7.302 -7.633 127 2HB TRP 18 1HB TRP 18 7.030 -8.759 -7.119 128 HD1 TRP 18 HD1 TRP 18 7.099 -9.203 -4.612 129 HE1 TRP 18 HE1 TRP 18 6.616 -7.829 -2.486 130 HE3 TRP 18 HE3 TRP 18 6.301 -4.609 -6.693 131 HZ2 TRP 18 HZ2 TRP 18 5.976 -5.138 -1.764 132 HZ3 TRP 18 HZ3 TRP 18 5.756 -2.661 -5.263 133 HH2 TRP 18 HH2 TRP 18 5.591 -2.917 -2.805 134 H GLY 19 H GLY 19 9.312 -6.280 -5.326 135 1HA GLY 19 2HA GLY 19 10.564 -7.833 -3.789 136 2HA GLY 19 1HA GLY 19 11.369 -8.454 -5.231 137 H GLU 20 H GLU 20 13.215 -7.435 -5.922 138 HA GLU 20 HA GLU 20 13.766 -4.643 -5.206 139 1HB GLU 20 2HB GLU 20 14.662 -6.743 -3.496 140 2HB GLU 20 1HB GLU 20 16.078 -6.109 -4.332 141 1HG GLU 20 2HG GLU 20 14.038 -4.290 -3.039 142 2HG GLU 20 1HG GLU 20 15.419 -4.930 -2.147 143 H ILE 21 H ILE 21 13.463 -5.506 -7.720 144 HA ILE 21 HA ILE 21 16.233 -5.884 -8.783 145 HB ILE 21 HB ILE 21 13.551 -6.676 -9.953 146 1HG1 ILE 21 2HG1 ILE 21 15.497 -8.769 -9.883 147 2HG1 ILE 21 1HG1 ILE 21 15.478 -8.003 -8.295 148 1HG2 ILE 21 1HG2 ILE 21 14.593 -7.244 -11.965 149 2HG2 ILE 21 2HG2 ILE 21 16.198 -7.300 -11.236 150 3HG2 ILE 21 3HG2 ILE 21 15.426 -5.747 -11.551 151 1HD1 ILE 21 1HD1 ILE 21 13.021 -8.988 -9.774 152 2HD1 ILE 21 2HD1 ILE 21 13.047 -8.285 -8.156 153 3HD1 ILE 21 3HD1 ILE 21 13.819 -9.843 -8.453 154 H SER 22 H SER 22 13.102 -4.375 -9.624 155 HA SER 22 HA SER 22 14.529 -2.365 -11.276 156 1HB SER 22 2HB SER 22 11.717 -3.323 -11.035 157 2HB SER 22 1HB SER 22 11.949 -1.646 -11.517 158 HG SER 22 HG SER 22 11.956 -2.955 -13.341 159 HA PRO 23 HA PRO 23 14.160 0.888 -8.337 160 1HB PRO 23 2HB PRO 23 13.591 3.028 -9.971 161 2HB PRO 23 1HB PRO 23 15.192 2.275 -9.858 162 1HG PRO 23 2HG PRO 23 13.161 2.053 -12.033 163 2HG PRO 23 1HG PRO 23 14.923 1.900 -12.123 164 1HD PRO 23 2HD PRO 23 13.087 -0.243 -12.117 165 2HD PRO 23 1HD PRO 23 14.836 -0.374 -11.835 166 H PHE 24 H PHE 24 11.425 0.311 -10.475 167 HA PHE 24 HA PHE 24 9.628 1.622 -8.477 168 1HB PHE 24 2HB PHE 24 9.879 2.173 -11.234 169 2HB PHE 24 1HB PHE 24 8.382 1.254 -11.071 170 HD1 PHE 24 HD1 PHE 24 10.225 4.233 -9.816 171 HD2 PHE 24 HD2 PHE 24 6.449 2.203 -10.046 172 HE1 PHE 24 HE1 PHE 24 9.093 6.236 -8.893 173 HE2 PHE 24 HE2 PHE 24 5.315 4.206 -9.122 174 HZ PHE 24 HZ PHE 24 6.638 6.221 -8.546 175 H ARG 25 H ARG 25 9.820 -0.573 -7.449 176 HA ARG 25 HA ARG 25 8.896 -2.972 -8.654 177 1HB ARG 25 2HB ARG 25 9.362 -2.011 -5.909 178 2HB ARG 25 1HB ARG 25 8.121 -3.255 -6.029 179 1HG ARG 25 2HG ARG 25 10.027 -4.568 -5.840 180 2HG ARG 25 1HG ARG 25 9.894 -4.436 -7.593 181 1HD ARG 25 2HD ARG 25 12.163 -3.924 -7.126 182 2HD ARG 25 1HD ARG 25 11.394 -2.358 -7.379 183 HE ARG 25 HE ARG 25 11.947 -3.471 -4.655 184 1HH1 ARG 25 1HH2 ARG 25 13.885 -1.532 -5.969 185 2HH1 ARG 25 2HH2 ARG 25 13.375 -0.023 -5.288 186 1HH2 ARG 25 2HH1 ARG 25 10.317 -1.254 -4.186 187 2HH2 ARG 25 1HH1 ARG 25 11.349 0.135 -4.277 188 HA PRO 26 HA PRO 26 4.482 -1.921 -7.141 189 1HB PRO 26 2HB PRO 26 4.061 0.521 -5.947 190 2HB PRO 26 1HB PRO 26 4.499 -0.942 -5.049 191 1HG PRO 26 2HG PRO 26 6.190 1.418 -5.730 192 2HG PRO 26 1HG PRO 26 6.333 0.289 -4.373 193 1HD PRO 26 2HD PRO 26 7.912 0.263 -6.717 194 2HD PRO 26 1HD PRO 26 7.802 -1.042 -5.517 195 H PHE 27 H PHE 27 3.314 -1.465 -8.973 196 HA PHE 27 HA PHE 27 2.463 -0.333 -10.839 197 1HB PHE 27 2HB PHE 27 3.552 2.034 -9.291 198 2HB PHE 27 1HB PHE 27 2.751 2.212 -10.849 199 HD1 PHE 27 HD1 PHE 27 0.403 2.298 -10.977 200 HD2 PHE 27 HD2 PHE 27 2.272 0.749 -7.435 201 HE1 PHE 27 HE1 PHE 27 -1.805 2.197 -9.856 202 HE2 PHE 27 HE2 PHE 27 0.062 0.649 -6.314 203 HZ PHE 27 HZ PHE 27 -1.976 1.373 -7.525 204 H CYS 28 H CYS 28 3.260 0.927 -12.818 205 HA CYS 28 HA CYS 28 6.049 0.097 -13.370 206 1HB CYS 28 2HB CYS 28 5.479 0.652 -15.733 207 2HB CYS 28 1HB CYS 28 4.365 -0.518 -15.027 208 H SER 29 H SER 29 4.132 3.051 -13.047 209 HA SER 29 HA SER 29 6.660 4.610 -13.084 210 1HB SER 29 2HB SER 29 5.660 6.318 -14.561 211 2HB SER 29 1HB SER 29 5.754 4.761 -15.376 212 HG SER 29 HG SER 29 3.701 5.763 -15.622 213 H LYS 30 H LYS 30 6.318 6.840 -12.198 214 HA LYS 30 HA LYS 30 4.829 6.808 -9.747 215 1HB LYS 30 2HB LYS 30 6.761 8.463 -10.930 216 2HB LYS 30 1HB LYS 30 5.344 9.498 -10.757 217 1HG LYS 30 2HG LYS 30 5.894 7.810 -8.403 218 2HG LYS 30 1HG LYS 30 7.154 8.992 -8.755 219 1HD LYS 30 2HD LYS 30 5.839 10.738 -8.159 220 2HD LYS 30 1HD LYS 30 4.437 10.080 -9.000 221 1HE LYS 30 2HE LYS 30 5.252 8.586 -6.580 222 2HE LYS 30 1HE LYS 30 4.653 10.217 -6.282 223 1HZ LYS 30 1HZ LYS 30 2.834 9.381 -8.010 224 2HZ LYS 30 2HZ LYS 30 2.685 9.135 -6.335 225 3HZ LYS 30 3HZ LYS 30 3.255 7.884 -7.331 226 H ARG 31 H ARG 31 4.074 7.941 -12.997 227 HA ARG 31 HA ARG 31 1.747 9.507 -12.412 228 1HB ARG 31 2HB ARG 31 3.172 8.724 -14.698 229 2HB ARG 31 1HB ARG 31 1.574 8.014 -14.918 230 1HG ARG 31 2HG ARG 31 1.219 10.124 -15.817 231 2HG ARG 31 1HG ARG 31 0.760 10.416 -14.138 232 1HD ARG 31 2HD ARG 31 3.631 10.773 -14.965 233 2HD ARG 31 1HD ARG 31 2.461 12.048 -15.310 234 HE ARG 31 HE ARG 31 3.207 11.102 -12.580 235 1HH1 ARG 31 1HH2 ARG 31 0.944 12.901 -14.418 236 2HH1 ARG 31 2HH2 ARG 31 0.892 14.238 -13.320 237 1HH2 ARG 31 2HH1 ARG 31 3.408 12.995 -11.260 238 2HH2 ARG 31 1HH1 ARG 31 2.287 14.291 -11.524 239 H CYS 32 H CYS 32 2.042 6.068 -13.405 240 HA CYS 32 HA CYS 32 -0.711 5.435 -13.340 241 1HB CYS 32 2HB CYS 32 1.814 3.861 -13.046 242 2HB CYS 32 1HB CYS 32 0.288 3.074 -12.636 243 H GLN 33 H GLN 33 1.699 5.162 -10.691 244 HA GLN 33 HA GLN 33 -0.180 4.252 -8.719 245 1HB GLN 33 2HB GLN 33 2.367 4.196 -8.542 246 2HB GLN 33 1HB GLN 33 2.285 5.915 -8.150 247 1HG GLN 33 2HG GLN 33 1.150 5.542 -6.139 248 2HG GLN 33 1HG GLN 33 0.572 3.954 -6.645 249 1HE2 GLN 33 1HE2 GLN 33 3.560 5.705 -5.697 250 2HE2 GLN 33 2HE2 GLN 33 4.378 4.323 -5.143 251 H LEU 34 H LEU 34 0.844 7.493 -9.761 252 HA LEU 34 HA LEU 34 -0.480 8.997 -7.719 253 1HB LEU 34 2HB LEU 34 1.191 9.701 -9.681 254 2HB LEU 34 1HB LEU 34 -0.312 10.055 -10.524 255 HG LEU 34 HG LEU 34 -1.009 11.502 -8.615 256 1HD1 LEU 34 1HD1 LEU 34 1.789 11.502 -7.574 257 2HD1 LEU 34 2HD1 LEU 34 0.761 10.148 -7.109 258 3HD1 LEU 34 3HD1 LEU 34 0.275 11.797 -6.720 259 1HD2 LEU 34 1HD2 LEU 34 1.507 12.806 -9.095 260 2HD2 LEU 34 2HD2 LEU 34 -0.071 13.170 -9.791 261 3HD2 LEU 34 3HD2 LEU 34 0.987 11.997 -10.574 262 H ILE 35 H ILE 35 -1.562 8.626 -11.120 263 HA ILE 35 HA ILE 35 -4.207 9.495 -10.809 264 HB ILE 35 HB ILE 35 -3.119 7.337 -12.643 265 1HG1 ILE 35 2HG1 ILE 35 -3.832 10.154 -13.424 266 2HG1 ILE 35 1HG1 ILE 35 -2.281 9.836 -12.647 267 1HG2 ILE 35 1HG2 ILE 35 -5.828 8.465 -12.281 268 2HG2 ILE 35 2HG2 ILE 35 -5.330 6.949 -13.032 269 3HG2 ILE 35 3HG2 ILE 35 -5.246 8.454 -13.946 270 1HD1 ILE 35 1HD1 ILE 35 -1.780 8.127 -14.375 271 2HD1 ILE 35 2HD1 ILE 35 -2.034 9.721 -15.085 272 3HD1 ILE 35 3HD1 ILE 35 -3.311 8.508 -15.172 273 H ASP 36 H ASP 36 -2.832 6.362 -9.923 274 HA ASP 36 HA ASP 36 -5.158 4.793 -9.697 275 1HB ASP 36 2HB ASP 36 -2.643 4.212 -9.233 276 2HB ASP 36 1HB ASP 36 -3.031 4.667 -7.574 277 H LEU 37 H LEU 37 -3.822 7.125 -7.332 278 HA LEU 37 HA LEU 37 -5.782 6.620 -5.287 279 1HB LEU 37 2HB LEU 37 -3.832 8.805 -5.888 280 2HB LEU 37 1HB LEU 37 -5.121 9.151 -4.740 281 HG LEU 37 HG LEU 37 -3.746 6.554 -4.359 282 1HD1 LEU 37 1HD1 LEU 37 -2.111 8.716 -4.911 283 2HD1 LEU 37 2HD1 LEU 37 -1.646 7.311 -3.954 284 3HD1 LEU 37 3HD1 LEU 37 -2.235 8.767 -3.152 285 1HD2 LEU 37 1HD2 LEU 37 -5.020 8.728 -2.770 286 2HD2 LEU 37 2HD2 LEU 37 -3.731 7.827 -1.973 287 3HD2 LEU 37 3HD2 LEU 37 -5.148 6.977 -2.587 288 H GLY 38 H GLY 38 -5.558 9.354 -7.616 289 1HA GLY 38 2HA GLY 38 -7.525 9.956 -8.979 290 2HA GLY 38 1HA GLY 38 -8.549 9.422 -7.651 291 H GLU 39 H GLU 39 -5.723 11.332 -6.876 292 HA GLU 39 HA GLU 39 -7.501 13.704 -6.438 293 1HB GLU 39 2HB GLU 39 -5.318 12.524 -4.712 294 2HB GLU 39 1HB GLU 39 -5.799 14.213 -4.547 295 1HG GLU 39 2HG GLU 39 -7.338 13.377 -3.087 296 2HG GLU 39 1HG GLU 39 -8.241 13.001 -4.554 297 H TRP 40 H TRP 40 -6.055 13.240 -8.848 298 HA TRP 40 HA TRP 40 -4.154 15.528 -8.777 299 1HB TRP 40 2HB TRP 40 -3.458 13.185 -10.501 300 2HB TRP 40 1HB TRP 40 -2.397 14.378 -9.750 301 HD1 TRP 40 HD1 TRP 40 -4.019 11.040 -9.172 302 HE1 TRP 40 HE1 TRP 40 -3.275 10.100 -6.897 303 HE3 TRP 40 HE3 TRP 40 -1.657 15.128 -7.254 304 HZ2 TRP 40 HZ2 TRP 40 -1.871 10.954 -4.569 305 HZ3 TRP 40 HZ3 TRP 40 -0.619 15.038 -5.008 306 HH2 TRP 40 HH2 TRP 40 -0.723 12.961 -3.658 307 H ALA 41 H ALA 41 -5.522 13.152 -11.071 308 HA ALA 41 HA ALA 41 -6.242 15.432 -12.871 309 1HB ALA 41 1HB ALA 41 -4.898 14.175 -14.252 310 2HB ALA 41 2HB ALA 41 -6.408 13.301 -14.514 311 3HB ALA 41 3HB ALA 41 -5.215 12.678 -13.373 312 H ALA 42 H ALA 42 -8.387 15.798 -13.129 313 HA ALA 42 HA ALA 42 -10.358 14.136 -11.805 314 1HB ALA 42 1HB ALA 42 -10.597 16.600 -12.028 315 2HB ALA 42 2HB ALA 42 -11.990 15.738 -12.681 316 3HB ALA 42 3HB ALA 42 -10.775 16.405 -13.772 317 H GLU 43 H GLU 43 -9.536 14.736 -15.222 318 HA GLU 43 HA GLU 43 -11.407 12.554 -16.006 319 1HB GLU 43 2HB GLU 43 -10.386 14.986 -17.313 320 2HB GLU 43 1HB GLU 43 -10.379 13.563 -18.355 321 1HG GLU 43 2HG GLU 43 -12.827 13.883 -16.733 322 2HG GLU 43 1HG GLU 43 -12.573 15.149 -17.934 323 H GLU 44 H GLU 44 -10.570 10.572 -16.349 324 HA GLU 44 HA GLU 44 -7.635 10.293 -16.688 325 1HB GLU 44 2HB GLU 44 -9.690 8.756 -15.375 326 2HB GLU 44 1HB GLU 44 -8.869 7.744 -16.564 327 1HG GLU 44 2HG GLU 44 -7.483 7.479 -14.706 328 2HG GLU 44 1HG GLU 44 -6.689 8.812 -15.543 329 H LYS 45 H LYS 45 -10.678 9.313 -18.260 330 HA LYS 45 HA LYS 45 -9.169 9.038 -20.812 331 1HB LYS 45 2HB LYS 45 -9.979 6.831 -19.337 332 2HB LYS 45 1HB LYS 45 -11.278 7.023 -20.513 333 1HG LYS 45 2HG LYS 45 -8.558 7.338 -21.625 334 2HG LYS 45 1HG LYS 45 -8.924 5.721 -21.022 335 1HD LYS 45 2HD LYS 45 -9.814 5.473 -23.120 336 2HD LYS 45 1HD LYS 45 -11.217 6.223 -22.358 337 1HE LYS 45 2HE LYS 45 -10.826 8.285 -23.341 338 2HE LYS 45 1HE LYS 45 -9.094 8.003 -23.503 339 1HZ LYS 45 1HZ LYS 45 -11.262 6.771 -25.118 340 2HZ LYS 45 2HZ LYS 45 -9.628 6.312 -25.209 341 3HZ LYS 45 3HZ LYS 45 -10.097 7.884 -25.649 342 H ARG 46 H ARG 46 -10.217 10.082 -22.446 343 HA ARG 46 HA ARG 46 -13.172 10.436 -22.273 344 1HB ARG 46 2HB ARG 46 -12.971 12.793 -22.943 345 2HB ARG 46 1HB ARG 46 -12.126 12.511 -21.424 346 1HG ARG 46 2HG ARG 46 -10.275 12.017 -23.546 347 2HG ARG 46 1HG ARG 46 -11.069 13.559 -23.871 348 1HD ARG 46 2HD ARG 46 -9.366 14.280 -22.476 349 2HD ARG 46 1HD ARG 46 -10.617 13.949 -21.278 350 HE ARG 46 HE ARG 46 -9.444 11.907 -20.682 351 1HH1 ARG 46 2HH1 ARG 46 -8.206 11.043 -23.180 352 2HH1 ARG 46 1HH1 ARG 46 -6.545 11.496 -22.991 353 1HH2 ARG 46 1HH2 ARG 46 -7.163 13.703 -20.384 354 2HH2 ARG 46 2HH2 ARG 46 -5.953 13.002 -21.406 355 H ILE 47 H ILE 47 -14.174 10.886 -24.382 356 HA ILE 47 HA ILE 47 -13.018 9.319 -26.496 357 HB ILE 47 HB ILE 47 -15.435 9.496 -26.279 358 1HG1 ILE 47 2HG1 ILE 47 -15.058 10.998 -28.814 359 2HG1 ILE 47 1HG1 ILE 47 -14.083 9.540 -28.626 360 1HG2 ILE 47 1HG2 ILE 47 -14.885 12.434 -26.580 361 2HG2 ILE 47 2HG2 ILE 47 -15.938 11.607 -25.435 362 3HG2 ILE 47 3HG2 ILE 47 -16.429 11.776 -27.119 363 1HD1 ILE 47 1HD1 ILE 47 -15.874 8.255 -29.066 364 2HD1 ILE 47 2HD1 ILE 47 -16.835 9.711 -29.324 365 3HD1 ILE 47 3HD1 ILE 47 -16.750 8.983 -27.720 366 HA PRO 48 HA PRO 48 -10.456 12.516 -28.226 367 1HB PRO 48 2HB PRO 48 -9.425 10.921 -30.218 368 2HB PRO 48 1HB PRO 48 -8.863 10.880 -28.538 369 1HG PRO 48 2HG PRO 48 -10.566 8.914 -29.993 370 2HG PRO 48 1HG PRO 48 -9.505 8.662 -28.598 371 1HD PRO 48 2HD PRO 48 -12.328 8.900 -28.521 372 2HD PRO 48 1HD PRO 48 -11.231 8.958 -27.125 373 H SER 49 H SER 49 -11.951 13.946 -29.165 374 HA SER 49 HA SER 49 -13.320 13.153 -31.674 375 1HB SER 49 2HB SER 49 -13.796 15.104 -29.534 376 2HB SER 49 1HB SER 49 -14.049 15.767 -31.146 377 HG SER 49 HG SER 49 -15.876 14.641 -30.096 378 H SER 50 H SER 50 -11.913 13.331 -33.382 379 HA SER 50 HA SER 50 -10.348 15.869 -33.629 380 1HB SER 50 2HB SER 50 -9.038 14.470 -35.375 381 2HB SER 50 1HB SER 50 -8.773 14.106 -33.674 382 HG SER 50 HG SER 50 -9.532 12.451 -35.536 383 H GLY 51 H GLY 51 -11.521 17.257 -34.863 384 1HA GLY 51 2HA GLY 51 -12.329 18.057 -36.963 385 2HA GLY 51 1HA GLY 51 -12.353 16.398 -37.563 386 H ASP 52 H ASP 52 -14.027 14.949 -36.341 387 HA ASP 52 HA ASP 52 -16.582 16.484 -36.216 388 1HB ASP 52 2HB ASP 52 -16.083 14.342 -37.720 389 2HB ASP 52 1HB ASP 52 -16.508 13.492 -36.233 390 H LEU 53 H LEU 53 -17.917 16.372 -34.391 391 HA LEU 53 HA LEU 53 -16.635 15.406 -31.909 392 1HB LEU 53 2HB LEU 53 -18.792 17.307 -32.609 393 2HB LEU 53 1HB LEU 53 -19.049 16.401 -31.118 394 HG LEU 53 HG LEU 53 -16.339 17.166 -31.074 395 1HD1 LEU 53 1HD1 LEU 53 -16.147 19.272 -31.898 396 2HD1 LEU 53 2HD1 LEU 53 -17.736 19.744 -31.297 397 3HD1 LEU 53 3HD1 LEU 53 -17.594 18.886 -32.831 398 1HD2 LEU 53 1HD2 LEU 53 -17.950 16.954 -29.170 399 2HD2 LEU 53 2HD2 LEU 53 -18.709 18.459 -29.689 400 3HD2 LEU 53 3HD2 LEU 53 -17.037 18.463 -29.129 401 H SER 54 H SER 54 -18.244 14.316 -30.283 402 HA SER 54 HA SER 54 -19.025 11.769 -31.276 403 1HB SER 54 2HB SER 54 -20.301 11.572 -29.112 404 2HB SER 54 1HB SER 54 -18.632 12.090 -28.900 405 HG SER 54 HG SER 54 -19.955 13.433 -27.696 406 H GLU 55 H GLU 55 -21.018 14.647 -30.556 407 HA GLU 55 HA GLU 55 -23.111 13.531 -32.378 408 1HB GLU 55 2HB GLU 55 -23.486 13.848 -29.693 409 2HB GLU 55 1HB GLU 55 -23.990 15.434 -30.276 410 1HG GLU 55 2HG GLU 55 -25.004 12.860 -31.504 411 2HG GLU 55 1HG GLU 55 -25.824 13.653 -30.159 412 H SER 56 H SER 56 -22.165 14.734 -34.111 413 HA SER 56 HA SER 56 -22.704 17.667 -33.957 414 1HB SER 56 2HB SER 56 -20.141 16.435 -34.188 415 2HB SER 56 1HB SER 56 -20.509 17.179 -35.740 416 HG SER 56 HG SER 56 -19.504 18.559 -34.094 417 H ASP 57 H ASP 57 -24.470 17.772 -35.286 418 HA ASP 57 HA ASP 57 -24.102 16.873 -38.100 419 1HB ASP 57 2HB ASP 57 -26.285 15.878 -38.219 420 2HB ASP 57 1HB ASP 57 -25.495 15.185 -36.806 421 H ASP 58 H ASP 58 -24.858 18.358 -39.579 422 HA ASP 58 HA ASP 58 -25.876 20.919 -38.500 423 1HB ASP 58 2HB ASP 58 -24.009 20.481 -40.370 424 2HB ASP 58 1HB ASP 58 -25.421 20.507 -41.425 425 H TRP 59 H TRP 59 -27.969 21.585 -38.746 426 HA TRP 59 HA TRP 59 -29.879 19.706 -39.979 427 1HB TRP 59 2HB TRP 59 -30.225 22.239 -38.354 428 2HB TRP 59 1HB TRP 59 -31.581 21.366 -39.069 429 HD1 TRP 59 HD1 TRP 59 -29.725 21.536 -35.963 430 HE1 TRP 59 HE1 TRP 59 -30.011 19.392 -34.561 431 HE3 TRP 59 HE3 TRP 59 -31.712 18.419 -39.496 432 HZ2 TRP 59 HZ2 TRP 59 -30.956 16.717 -34.890 433 HZ3 TRP 59 HZ3 TRP 59 -32.292 16.079 -38.920 434 HH2 TRP 59 HH2 TRP 59 -31.916 15.226 -36.623 435 H SER 60 H SER 60 -28.468 22.866 -40.654 436 HA SER 60 HA SER 60 -30.365 23.417 -42.842 437 1HB SER 60 2HB SER 60 -28.515 24.955 -41.298 438 2HB SER 60 1HB SER 60 -28.041 25.085 -42.988 439 HG SER 60 HG SER 60 -29.768 26.547 -42.037 440 H GLU 61 H GLU 61 -26.815 22.910 -42.615 441 HA GLU 61 HA GLU 61 -26.643 22.341 -45.489 442 1HB GLU 61 2HB GLU 61 -24.615 22.276 -43.236 443 2HB GLU 61 1HB GLU 61 -24.217 21.814 -44.890 444 1HG GLU 61 2HG GLU 61 -23.908 23.979 -45.398 445 2HG GLU 61 1HG GLU 61 -25.612 24.279 -45.053 446 H GLU 62 H GLU 62 -24.803 20.203 -45.507 447 HA GLU 62 HA GLU 62 -26.621 17.954 -45.155 448 1HB GLU 62 2HB GLU 62 -24.702 18.395 -46.950 449 2HB GLU 62 1HB GLU 62 -23.717 17.555 -45.751 450 1HG GLU 62 2HG GLU 62 -26.326 16.284 -46.298 451 2HG GLU 62 1HG GLU 62 -25.218 16.298 -47.670 452 HA PRO 63 HA PRO 63 -25.196 17.190 -41.001 453 1HB PRO 63 2HB PRO 63 -26.944 15.109 -40.548 454 2HB PRO 63 1HB PRO 63 -27.401 16.816 -40.429 455 1HG PRO 63 2HG PRO 63 -28.051 14.844 -42.566 456 2HG PRO 63 1HG PRO 63 -28.928 16.305 -42.085 457 1HD PRO 63 2HD PRO 63 -27.237 16.050 -44.344 458 2HD PRO 63 1HD PRO 63 -27.867 17.569 -43.673 459 H LYS 64 H LYS 64 -23.116 16.330 -41.378 460 HA LYS 64 HA LYS 64 -22.845 13.594 -42.452 461 1HB LYS 64 2HB LYS 64 -21.054 15.898 -41.969 462 2HB LYS 64 1HB LYS 64 -20.328 14.317 -41.671 463 1HG LYS 64 2HG LYS 64 -20.762 13.581 -43.890 464 2HG LYS 64 1HG LYS 64 -21.870 14.919 -44.201 465 1HD LYS 64 2HD LYS 64 -19.500 16.178 -43.446 466 2HD LYS 64 1HD LYS 64 -18.962 14.831 -44.448 467 1HE LYS 64 2HE LYS 64 -20.741 15.569 -46.139 468 2HE LYS 64 1HE LYS 64 -20.881 17.046 -45.187 469 1HZ LYS 64 1HZ LYS 64 -18.407 16.012 -46.461 470 2HZ LYS 64 2HZ LYS 64 -18.489 17.397 -45.480 471 3HZ LYS 64 3HZ LYS 64 -19.309 17.354 -46.969 472 H GLN 65 HN GLN 65 -23.030 11.910 -41.088 473 HA GLN 65 HA GLN 65 -22.722 12.321 -38.184 474 1HB GLN 65 2HB GLN 65 -24.067 10.391 -39.938 475 2HB GLN 65 1HB GLN 65 -23.234 9.625 -38.587 476 1HG GLN 65 2HG GLN 65 -24.814 12.068 -37.953 477 2HG GLN 65 1HG GLN 65 -25.733 10.618 -38.361 478 1HE2 GLN 65 1HE2 GLN 65 -23.819 12.143 -35.898 479 2HE2 GLN 65 2HE2 GLN 65 -23.848 10.860 -34.788
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