NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9244 | 1nkl | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -15.605 -3.098 2.759 2 2H GLY 1 2H GLY 1 -16.800 -2.036 2.337 3 3H GLY 1 3H GLY 1 -15.356 -1.473 2.860 4 1HA GLY 1 1HA GLY 1 -16.863 -1.259 4.671 5 2HA GLY 1 2HA GLY 1 -17.371 -2.953 4.415 6 H TYR 2 H TYR 2 -15.856 -1.398 6.769 7 HA TYR 2 HA TYR 2 -14.061 -1.470 8.103 8 1HB TYR 2 1HB TYR 2 -14.822 -3.706 8.713 9 2HB TYR 2 2HB TYR 2 -13.950 -4.411 7.351 10 HD1 TYR 2 HD2 TYR 2 -13.202 -1.995 10.179 11 HD2 TYR 2 HD1 TYR 2 -11.898 -5.453 7.928 12 HE1 TYR 2 HE2 TYR 2 -11.027 -1.921 11.317 13 HE2 TYR 2 HE1 TYR 2 -9.730 -5.401 9.126 14 HH TYR 2 HH TYR 2 -8.787 -2.494 10.645 15 H PHE 3 H PHE 3 -13.049 -3.400 5.363 16 HA PHE 3 HA PHE 3 -10.530 -2.980 4.855 17 1HB PHE 3 1HB PHE 3 -12.909 -2.572 3.024 18 2HB PHE 3 2HB PHE 3 -11.256 -2.543 2.447 19 HD1 PHE 3 HD1 PHE 3 -11.563 -5.106 5.005 20 HD2 PHE 3 HD2 PHE 3 -12.289 -4.143 0.842 21 HE1 PHE 3 HE1 PHE 3 -11.616 -7.503 4.442 22 HE2 PHE 3 HE2 PHE 3 -12.300 -6.554 0.293 23 HZ PHE 3 HZ PHE 3 -11.956 -8.230 2.095 24 H CYS 4 H CYS 4 -12.803 -0.161 4.571 25 HA CYS 4 HA CYS 4 -10.929 1.435 3.090 26 1HB CYS 4 1HB CYS 4 -13.477 1.862 3.465 27 2HB CYS 4 2HB CYS 4 -12.982 2.605 4.986 28 H GLU 5 H GLU 5 -11.531 0.974 6.608 29 HA GLU 5 HA GLU 5 -9.608 2.900 7.606 30 1HB GLU 5 1HB GLU 5 -11.367 2.022 9.043 31 2HB GLU 5 2HB GLU 5 -10.911 0.358 8.736 32 1HG GLU 5 1HG GLU 5 -9.120 2.347 10.173 33 2HG GLU 5 2HG GLU 5 -10.282 1.310 10.988 34 H SER 6 H SER 6 -9.652 -0.637 7.130 35 HA SER 6 HA SER 6 -7.059 -1.151 7.843 36 1HB SER 6 1HB SER 6 -8.373 -2.620 5.534 37 2HB SER 6 2HB SER 6 -7.345 -3.270 6.812 38 HG SER 6 HG SER 6 -9.157 -2.443 8.251 39 H CYS 7 H CYS 7 -8.165 -0.525 4.546 40 HA CYS 7 HA CYS 7 -5.723 -0.639 3.135 41 1HB CYS 7 1HB CYS 7 -7.904 -0.899 2.154 42 2HB CYS 7 2HB CYS 7 -8.388 0.726 2.626 43 H ARG 8 H ARG 8 -7.513 2.200 4.578 44 HA ARG 8 HA ARG 8 -5.571 4.089 3.732 45 1HB ARG 8 1HB ARG 8 -7.811 4.724 4.509 46 2HB ARG 8 2HB ARG 8 -7.451 4.184 6.146 47 1HG ARG 8 1HG ARG 8 -5.512 6.169 5.051 48 2HG ARG 8 2HG ARG 8 -7.161 6.772 5.153 49 1HD ARG 8 1HD ARG 8 -7.283 6.419 7.500 50 2HD ARG 8 2HD ARG 8 -5.814 5.446 7.526 51 HE ARG 8 HE ARG 8 -4.621 7.596 6.751 52 1HH1 ARG 8 2HH2 ARG 8 -7.455 7.799 8.901 53 2HH1 ARG 8 1HH2 ARG 8 -6.958 9.306 9.579 54 1HH2 ARG 8 2HH1 ARG 8 -4.004 9.508 7.601 55 2HH2 ARG 8 1HH1 ARG 8 -4.905 10.323 8.831 56 H LYS 9 H LYS 9 -5.775 2.214 6.809 57 HA LYS 9 HA LYS 9 -3.447 3.350 7.990 58 1HB LYS 9 1HB LYS 9 -5.212 2.086 9.168 59 2HB LYS 9 2HB LYS 9 -4.758 0.608 8.324 60 1HG LYS 9 1HG LYS 9 -2.586 0.568 9.403 61 2HG LYS 9 2HG LYS 9 -2.872 2.145 10.165 62 1HD LYS 9 1HD LYS 9 -4.687 -0.257 10.631 63 2HD LYS 9 2HD LYS 9 -3.238 0.024 11.612 64 1HE LYS 9 1HE LYS 9 -4.078 2.068 12.512 65 2HE LYS 9 2HE LYS 9 -5.332 2.187 11.262 66 1HZ LYS 9 2HZ LYS 9 -5.370 0.063 13.301 67 2HZ LYS 9 3HZ LYS 9 -6.249 1.470 13.362 68 3HZ LYS 9 1HZ LYS 9 -6.491 0.435 12.136 69 H ILE 10 H ILE 10 -3.866 0.438 5.972 70 HA ILE 10 HA ILE 10 -1.209 -0.480 5.952 71 HB ILE 10 HB ILE 10 -3.611 -0.818 4.144 72 1HG1 ILE 10 1HG1 ILE 10 -2.018 -2.847 5.768 73 2HG1 ILE 10 2HG1 ILE 10 -3.303 -1.896 6.482 74 1HG2 ILE 10 2HG2 ILE 10 -0.838 -1.921 3.661 75 2HG2 ILE 10 3HG2 ILE 10 -2.293 -2.696 2.997 76 3HG2 ILE 10 1HG2 ILE 10 -1.888 -1.058 2.522 77 1HD1 ILE 10 3HD1 ILE 10 -3.715 -3.805 4.142 78 2HD1 ILE 10 1HD1 ILE 10 -4.098 -4.125 5.821 79 3HD1 ILE 10 2HD1 ILE 10 -4.965 -2.850 4.952 80 H ILE 11 H ILE 11 -2.845 1.555 3.450 81 HA ILE 11 HA ILE 11 -0.522 2.001 1.927 82 HB ILE 11 HB ILE 11 -3.193 3.202 2.001 83 1HG1 ILE 11 1HG1 ILE 11 -1.473 2.076 -0.264 84 2HG1 ILE 11 2HG1 ILE 11 -2.187 0.971 0.914 85 1HG2 ILE 11 1HG2 ILE 11 -0.884 4.374 0.383 86 2HG2 ILE 11 2HG2 ILE 11 -2.611 4.711 0.143 87 3HG2 ILE 11 3HG2 ILE 11 -1.816 5.220 1.624 88 1HD1 ILE 11 2HD1 ILE 11 -3.732 2.931 -0.722 89 2HD1 ILE 11 3HD1 ILE 11 -3.543 1.170 -1.024 90 3HD1 ILE 11 1HD1 ILE 11 -4.365 1.747 0.462 91 H GLN 12 H GLN 12 -1.954 4.040 4.590 92 HA GLN 12 HA GLN 12 -0.035 6.102 4.241 93 1HB GLN 12 1HB GLN 12 -1.708 5.299 6.641 94 2HB GLN 12 2HB GLN 12 -0.646 6.712 6.628 95 1HG GLN 12 1HG GLN 12 -2.266 6.669 4.176 96 2HG GLN 12 2HG GLN 12 -3.286 6.539 5.604 97 1HE2 GLN 12 2HE2 GLN 12 -1.055 9.986 5.044 98 2HE2 GLN 12 1HE2 GLN 12 -0.701 8.595 4.070 99 H LYS 13 H LYS 13 0.204 3.115 6.334 100 HA LYS 13 HA LYS 13 2.717 4.023 7.392 101 1HB LYS 13 1HB LYS 13 1.268 2.139 8.348 102 2HB LYS 13 2HB LYS 13 1.718 1.160 6.956 103 1HG LYS 13 1HG LYS 13 3.076 0.418 8.741 104 2HG LYS 13 2HG LYS 13 4.144 1.313 7.703 105 1HD LYS 13 1HD LYS 13 3.040 3.138 9.707 106 2HD LYS 13 2HD LYS 13 3.568 1.663 10.504 107 1HE LYS 13 1HE LYS 13 5.432 3.136 10.549 108 2HE LYS 13 2HE LYS 13 5.814 1.913 9.316 109 1HZ LYS 13 1HZ LYS 13 5.127 3.573 7.628 110 2HZ LYS 13 2HZ LYS 13 4.797 4.660 8.843 111 3HZ LYS 13 3HZ LYS 13 6.266 4.260 8.593 112 H LEU 14 H LEU 14 1.834 2.514 4.351 113 HA LEU 14 HA LEU 14 4.469 1.613 3.573 114 1HB LEU 14 1HB LEU 14 2.040 1.001 2.699 115 2HB LEU 14 2HB LEU 14 2.221 2.436 1.715 116 HG LEU 14 HG LEU 14 3.831 -0.101 1.598 117 1HD1 LEU 14 2HD1 LEU 14 1.903 1.366 -0.241 118 2HD1 LEU 14 3HD1 LEU 14 2.809 -0.037 -0.746 119 3HD1 LEU 14 1HD1 LEU 14 1.643 -0.180 0.586 120 1HD2 LEU 14 1HD2 LEU 14 4.443 2.457 0.093 121 2HD2 LEU 14 2HD2 LEU 14 5.515 1.544 1.175 122 3HD2 LEU 14 3HD2 LEU 14 5.037 0.844 -0.364 123 H GLU 15 H GLU 15 2.436 4.422 2.806 124 HA GLU 15 HA GLU 15 4.127 5.902 1.148 125 1HB GLU 15 1HB GLU 15 1.656 6.081 1.526 126 2HB GLU 15 2HB GLU 15 1.946 6.665 3.160 127 1HG GLU 15 1HG GLU 15 2.900 8.747 2.251 128 2HG GLU 15 2HG GLU 15 2.664 8.129 0.605 129 H ASP 16 H ASP 16 3.606 6.209 4.702 130 HA ASP 16 HA ASP 16 5.695 8.007 5.300 131 1HB ASP 16 1HB ASP 16 3.940 7.551 6.840 132 2HB ASP 16 2HB ASP 16 4.130 5.816 6.662 133 H MET 17 H MET 17 5.858 4.419 4.987 134 HA MET 17 HA MET 17 8.610 4.331 5.883 135 1HB MET 17 1HB MET 17 6.827 2.327 4.468 136 2HB MET 17 2HB MET 17 8.567 2.051 4.607 137 1HG MET 17 1HG MET 17 8.500 2.127 6.991 138 2HG MET 17 2HG MET 17 6.823 2.631 6.994 139 1HE MET 17 1HE MET 17 8.948 -0.323 5.320 140 2HE MET 17 2HE MET 17 7.703 -1.597 5.280 141 3HE MET 17 3HE MET 17 7.492 -0.129 4.319 142 H VAL 18 H VAL 18 7.189 4.184 2.533 143 HA VAL 18 HA VAL 18 9.835 3.805 1.440 144 HB VAL 18 HB VAL 18 7.565 3.076 0.481 145 1HG1 VAL 18 2HG1 VAL 18 6.469 5.283 0.422 146 2HG1 VAL 18 3HG1 VAL 18 7.631 5.795 -0.816 147 3HG1 VAL 18 1HG1 VAL 18 6.522 4.467 -1.161 148 1HG2 VAL 18 1HG2 VAL 18 9.821 4.127 -1.206 149 2HG2 VAL 18 2HG2 VAL 18 9.545 2.496 -0.576 150 3HG2 VAL 18 3HG2 VAL 18 8.480 3.126 -1.834 151 H GLY 19 H GLY 19 7.823 6.615 2.218 152 1HA GLY 19 1HA GLY 19 8.481 8.756 2.546 153 2HA GLY 19 2HA GLY 19 10.105 8.378 1.940 154 HA PRO 20 HA PRO 20 7.740 10.816 -1.259 155 1HB PRO 20 1HB PRO 20 9.612 12.709 -1.856 156 2HB PRO 20 2HB PRO 20 8.614 12.802 -0.372 157 1HG PRO 20 1HG PRO 20 11.427 11.693 -0.675 158 2HG PRO 20 2HG PRO 20 10.831 12.875 0.537 159 1HD PRO 20 1HD PRO 20 11.018 10.192 1.034 160 2HD PRO 20 2HD PRO 20 9.694 11.204 1.739 161 H GLN 21 H GLN 21 8.279 11.267 -3.366 162 HA GLN 21 HA GLN 21 8.327 9.991 -5.410 163 1HB GLN 21 1HB GLN 21 10.931 11.506 -5.023 164 2HB GLN 21 2HB GLN 21 10.369 10.859 -6.566 165 1HG GLN 21 1HG GLN 21 9.740 13.115 -6.605 166 2HG GLN 21 2HG GLN 21 8.256 12.214 -6.329 167 1HE2 GLN 21 2HE2 GLN 21 9.627 14.835 -3.485 168 2HE2 GLN 21 1HE2 GLN 21 10.653 14.412 -4.846 169 HA PRO 22 HA PRO 22 10.910 6.344 -4.192 170 1HB PRO 22 1HB PRO 22 9.085 4.438 -3.855 171 2HB PRO 22 2HB PRO 22 9.295 5.750 -2.656 172 1HG PRO 22 1HG PRO 22 7.260 5.664 -4.909 173 2HG PRO 22 2HG PRO 22 6.956 5.893 -3.151 174 1HD PRO 22 1HD PRO 22 7.248 8.017 -4.849 175 2HD PRO 22 2HD PRO 22 7.849 8.053 -3.162 176 H ASN 23 H ASN 23 10.649 3.967 -5.418 177 HA ASN 23 HA ASN 23 9.844 4.346 -8.243 178 1HB ASN 23 1HB ASN 23 11.913 3.400 -9.033 179 2HB ASN 23 2HB ASN 23 12.297 4.783 -8.008 180 1HD2 ASN 23 2HD2 ASN 23 13.953 1.286 -7.021 181 2HD2 ASN 23 1HD2 ASN 23 13.311 1.594 -8.619 182 H GLU 24 H GLU 24 9.550 2.350 -9.331 183 HA GLU 24 HA GLU 24 7.711 0.676 -8.361 184 1HB GLU 24 1HB GLU 24 8.324 0.991 -10.697 185 2HB GLU 24 2HB GLU 24 9.866 0.229 -10.426 186 1HG GLU 24 1HG GLU 24 8.806 -1.493 -11.466 187 2HG GLU 24 2HG GLU 24 8.348 -1.921 -9.827 188 H ASP 25 H ASP 25 11.249 -0.119 -8.074 189 HA ASP 25 HA ASP 25 10.650 -2.747 -6.965 190 1HB ASP 25 1HB ASP 25 12.815 -2.472 -8.009 191 2HB ASP 25 2HB ASP 25 13.237 -1.159 -6.888 192 H THR 26 H THR 26 12.015 0.283 -5.493 193 HA THR 26 HA THR 26 11.979 -0.598 -2.921 194 HB THR 26 HB THR 26 11.432 2.278 -3.776 195 HG1 THR 26 HG1 THR 26 13.330 2.236 -4.632 196 1HG2 THR 26 1HG2 THR 26 11.488 1.796 -1.283 197 2HG2 THR 26 2HG2 THR 26 13.117 1.138 -1.486 198 3HG2 THR 26 3HG2 THR 26 12.801 2.855 -1.823 199 H VAL 27 H VAL 27 9.242 0.792 -4.740 200 HA VAL 27 HA VAL 27 7.475 0.824 -2.435 201 HB VAL 27 HB VAL 27 6.673 0.651 -5.374 202 1HG1 VAL 27 3HG1 VAL 27 5.190 1.396 -2.803 203 2HG1 VAL 27 1HG1 VAL 27 4.586 1.771 -4.418 204 3HG1 VAL 27 2HG1 VAL 27 4.798 0.079 -3.933 205 1HG2 VAL 27 2HG2 VAL 27 8.023 2.706 -4.931 206 2HG2 VAL 27 3HG2 VAL 27 6.342 3.082 -5.261 207 3HG2 VAL 27 1HG2 VAL 27 6.952 3.111 -3.587 208 H THR 28 H THR 28 8.172 -1.658 -4.991 209 HA THR 28 HA THR 28 6.213 -3.537 -4.175 210 HB THR 28 HB THR 28 8.864 -3.794 -5.650 211 HG1 THR 28 HG1 THR 28 7.522 -2.757 -6.886 212 1HG2 THR 28 3HG2 THR 28 6.729 -5.928 -5.257 213 2HG2 THR 28 1HG2 THR 28 8.015 -5.963 -6.485 214 3HG2 THR 28 2HG2 THR 28 8.436 -6.003 -4.772 215 H GLN 29 H GLN 29 9.708 -3.252 -3.203 216 HA GLN 29 HA GLN 29 9.454 -5.426 -1.328 217 1HB GLN 29 1HB GLN 29 11.614 -4.681 -0.427 218 2HB GLN 29 2HB GLN 29 11.612 -5.032 -2.153 219 1HG GLN 29 1HG GLN 29 11.861 -2.780 -2.752 220 2HG GLN 29 2HG GLN 29 11.470 -2.188 -1.126 221 1HE2 GLN 29 2HE2 GLN 29 15.304 -2.950 -2.007 222 2HE2 GLN 29 1HE2 GLN 29 14.068 -2.889 -3.247 223 H ALA 30 H ALA 30 9.427 -1.822 -0.854 224 HA ALA 30 HA ALA 30 9.171 -1.940 1.935 225 1HB ALA 30 1HB ALA 30 9.737 0.142 0.733 226 2HB ALA 30 2HB ALA 30 8.079 0.216 0.079 227 3HB ALA 30 3HB ALA 30 8.359 0.373 1.821 228 H ALA 31 H ALA 31 6.637 -2.199 -0.574 229 HA ALA 31 HA ALA 31 4.449 -2.113 1.353 230 1HB ALA 31 3HB ALA 31 4.314 -1.451 -1.122 231 2HB ALA 31 1HB ALA 31 4.489 -3.147 -1.552 232 3HB ALA 31 2HB ALA 31 3.068 -2.623 -0.624 233 H SER 32 H SER 32 6.033 -4.812 -0.550 234 HA SER 32 HA SER 32 4.247 -6.807 0.555 235 1HB SER 32 1HB SER 32 6.085 -8.421 -0.082 236 2HB SER 32 2HB SER 32 5.525 -7.380 -1.405 237 HG SER 32 HG SER 32 7.355 -6.168 -1.258 238 H GLN 33 H GLN 33 7.170 -5.312 1.790 239 HA GLN 33 HA GLN 33 6.871 -6.780 4.279 240 1HB GLN 33 1HB GLN 33 9.014 -4.845 3.415 241 2HB GLN 33 2HB GLN 33 8.978 -5.744 4.939 242 1HG GLN 33 1HG GLN 33 9.109 -6.951 2.131 243 2HG GLN 33 2HG GLN 33 10.389 -6.938 3.330 244 1HE2 GLN 33 2HE2 GLN 33 8.989 -9.646 5.273 245 2HE2 GLN 33 1HE2 GLN 33 10.113 -8.308 5.297 246 H VAL 34 H VAL 34 5.702 -3.652 3.149 247 HA VAL 34 HA VAL 34 5.428 -2.373 5.612 248 HB VAL 34 HB VAL 34 4.595 -1.492 3.338 249 1HG1 VAL 34 1HG1 VAL 34 2.631 -3.135 2.935 250 2HG1 VAL 34 2HG1 VAL 34 1.845 -2.293 4.246 251 3HG1 VAL 34 3HG1 VAL 34 2.314 -1.422 2.789 252 1HG2 VAL 34 1HG2 VAL 34 3.335 -0.977 5.974 253 2HG2 VAL 34 2HG2 VAL 34 4.653 -0.112 5.108 254 3HG2 VAL 34 3HG2 VAL 34 2.983 -0.019 4.523 255 H CYS 35 H CYS 35 3.504 -4.783 3.954 256 HA CYS 35 HA CYS 35 1.453 -5.244 5.851 257 1HB CYS 35 1HB CYS 35 2.771 -7.094 3.794 258 2HB CYS 35 2HB CYS 35 1.183 -7.339 4.528 259 H ASP 36 H ASP 36 4.500 -6.973 5.128 260 HA ASP 36 HA ASP 36 4.246 -9.080 6.954 261 1HB ASP 36 1HB ASP 36 5.936 -8.575 5.074 262 2HB ASP 36 2HB ASP 36 6.865 -7.709 6.305 263 H LYS 37 H LYS 37 5.604 -5.847 7.403 264 HA LYS 37 HA LYS 37 6.382 -6.069 10.138 265 1HB LYS 37 1HB LYS 37 7.297 -4.580 8.282 266 2HB LYS 37 2HB LYS 37 5.850 -3.578 8.447 267 1HG LYS 37 1HG LYS 37 6.551 -3.214 10.879 268 2HG LYS 37 2HG LYS 37 8.068 -4.039 10.488 269 1HD LYS 37 1HD LYS 37 6.974 -1.501 9.200 270 2HD LYS 37 2HD LYS 37 8.269 -1.554 10.383 271 1HE LYS 37 1HE LYS 37 8.416 -2.839 7.611 272 2HE LYS 37 2HE LYS 37 8.966 -1.205 7.974 273 1HZ LYS 37 3HZ LYS 37 10.579 -2.111 9.505 274 2HZ LYS 37 1HZ LYS 37 10.087 -3.654 9.186 275 3HZ LYS 37 2HZ LYS 37 10.785 -2.741 8.012 276 H LEU 38 H LEU 38 3.424 -4.818 8.549 277 HA LEU 38 HA LEU 38 2.309 -3.604 10.946 278 1HB LEU 38 1HB LEU 38 1.219 -4.424 8.228 279 2HB LEU 38 2HB LEU 38 0.139 -3.856 9.482 280 HG LEU 38 HG LEU 38 2.459 -2.132 8.546 281 1HD1 LEU 38 2HD1 LEU 38 1.054 -2.743 6.587 282 2HD1 LEU 38 3HD1 LEU 38 -0.397 -2.212 7.464 283 3HD1 LEU 38 1HD1 LEU 38 0.866 -1.041 7.011 284 1HD2 LEU 38 3HD2 LEU 38 -0.209 -1.512 9.901 285 2HD2 LEU 38 1HD2 LEU 38 1.407 -1.414 10.647 286 3HD2 LEU 38 2HD2 LEU 38 0.954 -0.305 9.345 287 H LYS 39 H LYS 39 2.355 -5.216 12.581 288 HA LYS 39 HA LYS 39 1.363 -7.863 11.999 289 1HB LYS 39 1HB LYS 39 1.596 -8.345 14.387 290 2HB LYS 39 2HB LYS 39 3.046 -7.629 13.698 291 1HG LYS 39 1HG LYS 39 2.628 -5.506 14.800 292 2HG LYS 39 2HG LYS 39 1.020 -6.040 15.336 293 1HD LYS 39 1HD LYS 39 2.010 -7.804 16.710 294 2HD LYS 39 2HD LYS 39 3.636 -7.393 16.173 295 1HE LYS 39 1HE LYS 39 1.834 -5.401 17.623 296 2HE LYS 39 2HE LYS 39 2.817 -6.578 18.496 297 1HZ LYS 39 3HZ LYS 39 3.912 -4.541 16.657 298 2HZ LYS 39 1HZ LYS 39 3.951 -4.484 18.300 299 3HZ LYS 39 2HZ LYS 39 4.787 -5.647 17.513 300 H ILE 40 H ILE 40 -0.477 -8.883 13.203 301 HA ILE 40 HA ILE 40 -2.659 -9.144 13.631 302 HB ILE 40 HB ILE 40 -2.948 -6.127 13.971 303 1HG1 ILE 40 1HG1 ILE 40 -1.464 -6.939 15.698 304 2HG1 ILE 40 2HG1 ILE 40 -3.035 -6.556 16.377 305 1HG2 ILE 40 3HG2 ILE 40 -4.903 -8.363 14.575 306 2HG2 ILE 40 1HG2 ILE 40 -5.078 -6.668 15.077 307 3HG2 ILE 40 2HG2 ILE 40 -5.069 -7.079 13.366 308 1HD1 ILE 40 2HD1 ILE 40 -3.602 -8.997 16.419 309 2HD1 ILE 40 3HD1 ILE 40 -1.974 -9.358 15.795 310 3HD1 ILE 40 1HD1 ILE 40 -2.171 -8.597 17.380 311 H LEU 41 H LEU 41 -2.343 -6.119 11.704 312 HA LEU 41 HA LEU 41 -4.378 -7.079 9.866 313 1HB LEU 41 1HB LEU 41 -3.971 -4.695 10.806 314 2HB LEU 41 2HB LEU 41 -2.669 -4.582 9.622 315 HG LEU 41 HG LEU 41 -4.349 -4.921 7.803 316 1HD1 LEU 41 3HD1 LEU 41 -6.383 -4.895 10.076 317 2HD1 LEU 41 1HD1 LEU 41 -6.787 -4.701 8.368 318 3HD1 LEU 41 2HD1 LEU 41 -6.099 -6.218 8.926 319 1HD2 LEU 41 3HD2 LEU 41 -3.708 -2.649 8.680 320 2HD2 LEU 41 1HD2 LEU 41 -5.314 -2.711 7.949 321 3HD2 LEU 41 2HD2 LEU 41 -5.152 -2.694 9.717 322 H ARG 42 H ARG 42 -1.461 -8.132 10.084 323 HA ARG 42 HA ARG 42 0.055 -7.731 7.806 324 1HB ARG 42 1HB ARG 42 0.850 -8.854 9.831 325 2HB ARG 42 2HB ARG 42 -0.268 -10.188 9.596 326 1HG ARG 42 1HG ARG 42 0.991 -10.925 7.609 327 2HG ARG 42 2HG ARG 42 2.098 -9.547 7.781 328 1HD ARG 42 1HD ARG 42 2.850 -10.361 9.966 329 2HD ARG 42 2HD ARG 42 1.641 -11.643 9.954 330 HE ARG 42 HE ARG 42 2.815 -12.817 8.274 331 1HH1 ARG 42 2HH2 ARG 42 4.764 -10.036 9.525 332 2HH1 ARG 42 1HH2 ARG 42 6.202 -10.644 8.837 333 1HH2 ARG 42 2HH1 ARG 42 4.886 -13.547 7.384 334 2HH2 ARG 42 1HH1 ARG 42 6.167 -12.384 7.434 335 H GLY 43 H GLY 43 -2.351 -10.355 8.370 336 1HA GLY 43 1HA GLY 43 -2.036 -11.619 5.855 337 2HA GLY 43 2HA GLY 43 -3.465 -11.735 6.895 338 H LEU 44 H LEU 44 -4.132 -8.851 6.814 339 HA LEU 44 HA LEU 44 -5.820 -9.015 4.505 340 1HB LEU 44 1HB LEU 44 -6.286 -7.955 6.811 341 2HB LEU 44 2HB LEU 44 -5.321 -6.587 6.292 342 HG LEU 44 HG LEU 44 -7.726 -6.215 6.147 343 1HD1 LEU 44 1HD1 LEU 44 -6.237 -5.021 4.561 344 2HD1 LEU 44 2HD1 LEU 44 -6.582 -6.273 3.342 345 3HD1 LEU 44 3HD1 LEU 44 -7.886 -5.247 3.959 346 1HD2 LEU 44 3HD2 LEU 44 -8.437 -8.542 5.639 347 2HD2 LEU 44 1HD2 LEU 44 -9.169 -7.335 4.575 348 3HD2 LEU 44 2HD2 LEU 44 -7.848 -8.341 3.969 349 H CYS 45 H CYS 45 -3.161 -6.719 5.450 350 HA CYS 45 HA CYS 45 -2.741 -5.508 3.043 351 1HB CYS 45 1HB CYS 45 -1.823 -5.015 5.312 352 2HB CYS 45 2HB CYS 45 -0.715 -6.355 5.141 353 H LYS 46 H LYS 46 -1.010 -8.552 4.125 354 HA LYS 46 HA LYS 46 0.488 -8.724 1.705 355 1HB LYS 46 1HB LYS 46 -0.402 -11.064 3.422 356 2HB LYS 46 2HB LYS 46 0.787 -11.162 2.139 357 1HG LYS 46 1HG LYS 46 1.146 -9.532 4.664 358 2HG LYS 46 2HG LYS 46 1.668 -11.181 4.503 359 1HD LYS 46 1HD LYS 46 2.792 -9.043 2.672 360 2HD LYS 46 2HD LYS 46 3.328 -9.229 4.340 361 1HE LYS 46 1HE LYS 46 3.764 -11.744 3.652 362 2HE LYS 46 2HE LYS 46 3.808 -11.059 2.019 363 1HZ LYS 46 1HZ LYS 46 5.521 -9.428 3.065 364 2HZ LYS 46 2HZ LYS 46 5.635 -10.508 4.296 365 3HZ LYS 46 3HZ LYS 46 6.023 -10.951 2.795 366 H LYS 47 H LYS 47 -2.857 -9.920 2.398 367 HA LYS 47 HA LYS 47 -3.120 -11.199 -0.153 368 1HB LYS 47 1HB LYS 47 -4.623 -11.643 1.784 369 2HB LYS 47 2HB LYS 47 -5.351 -10.040 1.576 370 1HG LYS 47 1HG LYS 47 -6.132 -10.646 -0.676 371 2HG LYS 47 2HG LYS 47 -5.259 -12.184 -0.600 372 1HD LYS 47 1HD LYS 47 -6.733 -12.936 1.244 373 2HD LYS 47 2HD LYS 47 -7.620 -11.394 1.159 374 1HE LYS 47 1HE LYS 47 -8.230 -11.865 -1.201 375 2HE LYS 47 2HE LYS 47 -7.309 -13.370 -1.156 376 1HZ LYS 47 3HZ LYS 47 -9.720 -12.807 0.466 377 2HZ LYS 47 1HZ LYS 47 -9.656 -13.764 -0.863 378 3HZ LYS 47 2HZ LYS 47 -8.859 -14.212 0.496 379 H ILE 48 H ILE 48 -3.939 -7.811 0.887 380 HA ILE 48 HA ILE 48 -5.032 -7.001 -1.619 381 HB ILE 48 HB ILE 48 -3.623 -5.433 0.577 382 1HG1 ILE 48 1HG1 ILE 48 -6.528 -5.527 -0.380 383 2HG1 ILE 48 2HG1 ILE 48 -5.899 -6.393 1.017 384 1HG2 ILE 48 2HG2 ILE 48 -3.224 -4.229 -1.588 385 2HG2 ILE 48 3HG2 ILE 48 -4.972 -4.241 -1.897 386 3HG2 ILE 48 1HG2 ILE 48 -4.282 -3.338 -0.532 387 1HD1 ILE 48 3HD1 ILE 48 -5.324 -4.215 2.101 388 2HD1 ILE 48 1HD1 ILE 48 -6.075 -3.359 0.733 389 3HD1 ILE 48 2HD1 ILE 48 -7.060 -4.396 1.753 390 H MET 49 H MET 49 -1.633 -6.722 -0.398 391 HA MET 49 HA MET 49 -0.531 -5.765 -2.793 392 1HB MET 49 1HB MET 49 0.561 -7.269 -0.409 393 2HB MET 49 2HB MET 49 1.597 -6.905 -1.786 394 1HG MET 49 1HG MET 49 1.709 -5.194 0.009 395 2HG MET 49 2HG MET 49 1.279 -4.568 -1.578 396 1HE MET 49 1HE MET 49 0.819 -2.322 -0.442 397 2HE MET 49 2HE MET 49 -0.442 -2.012 0.772 398 3HE MET 49 3HE MET 49 1.027 -2.913 1.217 399 H ARG 50 H ARG 50 -0.971 -9.283 -1.847 400 HA ARG 50 HA ARG 50 0.250 -10.211 -4.244 401 1HB ARG 50 1HB ARG 50 -0.473 -11.570 -2.212 402 2HB ARG 50 2HB ARG 50 -2.107 -11.588 -2.854 403 1HG ARG 50 1HG ARG 50 0.239 -12.496 -4.567 404 2HG ARG 50 2HG ARG 50 -0.415 -13.572 -3.341 405 1HD ARG 50 1HD ARG 50 -2.518 -13.767 -4.388 406 2HD ARG 50 2HD ARG 50 -2.268 -12.393 -5.441 407 HE ARG 50 HE ARG 50 -1.242 -15.110 -5.760 408 1HH1 ARG 50 2HH2 ARG 50 -1.034 -11.742 -6.994 409 2HH1 ARG 50 1HH2 ARG 50 -0.391 -12.215 -8.513 410 1HH2 ARG 50 2HH1 ARG 50 -0.385 -15.707 -7.824 411 2HH2 ARG 50 1HH1 ARG 50 -0.011 -14.505 -8.987 412 H SER 51 H SER 51 -3.088 -9.235 -3.606 413 HA SER 51 HA SER 51 -4.074 -10.083 -6.190 414 1HB SER 51 1HB SER 51 -5.275 -9.933 -3.913 415 2HB SER 51 2HB SER 51 -5.428 -8.200 -4.226 416 HG SER 51 HG SER 51 -6.517 -8.811 -6.198 417 H PHE 52 H PHE 52 -2.768 -6.997 -5.003 418 HA PHE 52 HA PHE 52 -3.326 -5.730 -7.655 419 1HB PHE 52 1HB PHE 52 -3.725 -4.511 -4.883 420 2HB PHE 52 2HB PHE 52 -4.036 -3.711 -6.403 421 HD1 PHE 52 HD1 PHE 52 -5.927 -4.577 -7.925 422 HD2 PHE 52 HD2 PHE 52 -5.472 -5.664 -3.776 423 HE1 PHE 52 HE1 PHE 52 -8.351 -5.084 -7.783 424 HE2 PHE 52 HE2 PHE 52 -7.899 -6.187 -3.653 425 HZ PHE 52 HZ PHE 52 -9.339 -5.877 -5.657 426 H LEU 53 H LEU 53 -0.717 -6.860 -6.637 427 HA LEU 53 HA LEU 53 0.810 -5.060 -5.299 428 1HB LEU 53 1HB LEU 53 1.366 -7.477 -6.218 429 2HB LEU 53 2HB LEU 53 1.975 -6.656 -7.603 430 HG LEU 53 HG LEU 53 3.855 -7.052 -6.272 431 1HD1 LEU 53 1HD1 LEU 53 3.868 -4.637 -6.943 432 2HD1 LEU 53 2HD1 LEU 53 3.178 -4.226 -5.342 433 3HD1 LEU 53 3HD1 LEU 53 4.763 -4.962 -5.468 434 1HD2 LEU 53 2HD2 LEU 53 2.650 -7.725 -4.237 435 2HD2 LEU 53 3HD2 LEU 53 4.014 -6.657 -3.867 436 3HD2 LEU 53 1HD2 LEU 53 2.356 -6.013 -3.841 437 H ARG 54 H ARG 54 1.014 -5.268 -8.935 438 HA ARG 54 HA ARG 54 2.615 -2.914 -8.916 439 1HB ARG 54 1HB ARG 54 2.539 -4.799 -10.623 440 2HB ARG 54 2HB ARG 54 1.172 -3.967 -11.373 441 1HG ARG 54 1HG ARG 54 3.778 -2.535 -10.797 442 2HG ARG 54 2HG ARG 54 3.678 -3.610 -12.164 443 1HD ARG 54 1HD ARG 54 2.316 -2.233 -13.406 444 2HD ARG 54 2HD ARG 54 1.701 -1.351 -12.013 445 HE ARG 54 HE ARG 54 4.554 -1.191 -12.974 446 1HH1 ARG 54 2HH2 ARG 54 2.093 0.171 -10.950 447 2HH1 ARG 54 1HH2 ARG 54 2.933 1.678 -10.734 448 1HH2 ARG 54 2HH1 ARG 54 5.647 0.548 -12.572 449 2HH2 ARG 54 1HH1 ARG 54 5.055 1.987 -11.811 450 H ARG 55 H ARG 55 -0.870 -3.145 -8.527 451 HA ARG 55 HA ARG 55 -1.414 -0.540 -9.631 452 1HB ARG 55 1HB ARG 55 -2.948 -2.493 -7.894 453 2HB ARG 55 2HB ARG 55 -3.452 -0.856 -7.991 454 1HG ARG 55 1HG ARG 55 -3.309 -2.787 -10.301 455 2HG ARG 55 2HG ARG 55 -4.756 -2.461 -9.395 456 1HD ARG 55 1HD ARG 55 -3.406 -0.198 -10.892 457 2HD ARG 55 2HD ARG 55 -4.335 -1.416 -11.757 458 HE ARG 55 HE ARG 55 -5.898 -0.317 -9.594 459 1HH1 ARG 55 2HH2 ARG 55 -4.932 0.233 -12.961 460 2HH1 ARG 55 1HH2 ARG 55 -6.155 1.413 -13.255 461 1HH2 ARG 55 2HH1 ARG 55 -7.486 1.573 -10.002 462 2HH2 ARG 55 1HH1 ARG 55 -7.635 2.050 -11.572 463 H ILE 56 H ILE 56 -0.897 -2.057 -6.296 464 HA ILE 56 HA ILE 56 -1.048 0.446 -4.977 465 HB ILE 56 HB ILE 56 0.557 -1.920 -3.993 466 1HG1 ILE 56 1HG1 ILE 56 -1.565 -2.877 -4.224 467 2HG1 ILE 56 2HG1 ILE 56 -1.582 -2.296 -2.589 468 1HG2 ILE 56 2HG2 ILE 56 -0.670 0.528 -2.634 469 2HG2 ILE 56 3HG2 ILE 56 -0.054 -0.875 -1.754 470 3HG2 ILE 56 1HG2 ILE 56 1.046 0.092 -2.728 471 1HD1 ILE 56 2HD1 ILE 56 -2.849 -0.232 -3.430 472 2HD1 ILE 56 3HD1 ILE 56 -2.993 -1.064 -4.993 473 3HD1 ILE 56 1HD1 ILE 56 -3.706 -1.788 -3.552 474 H SER 57 H SER 57 1.638 -1.028 -6.780 475 HA SER 57 HA SER 57 3.582 0.867 -5.962 476 1HB SER 57 1HB SER 57 4.156 -1.210 -7.149 477 2HB SER 57 2HB SER 57 3.333 -0.616 -8.606 478 HG SER 57 HG SER 57 5.450 -0.180 -8.850 479 H TRP 58 H TRP 58 1.430 0.935 -8.891 480 HA TRP 58 HA TRP 58 2.128 3.547 -9.787 481 1HB TRP 58 1HB TRP 58 0.803 2.741 -11.400 482 2HB TRP 58 2HB TRP 58 -0.037 1.647 -10.318 483 HD1 TRP 58 HD1 TRP 58 -0.231 5.368 -11.411 484 HE1 TRP 58 HE1 TRP 58 -2.631 6.173 -11.171 485 HE3 TRP 58 HE3 TRP 58 -2.239 1.234 -9.231 486 HZ2 TRP 58 HZ2 TRP 58 -5.195 5.064 -10.147 487 HZ3 TRP 58 HZ3 TRP 58 -4.526 1.172 -8.466 488 HH2 TRP 58 HH2 TRP 58 -6.000 3.004 -8.864 489 H ASP 59 H ASP 59 -0.327 2.579 -7.431 490 HA ASP 59 HA ASP 59 -1.494 5.074 -6.933 491 1HB ASP 59 1HB ASP 59 -1.005 2.651 -5.154 492 2HB ASP 59 2HB ASP 59 -1.821 4.066 -4.558 493 HD2 ASP 59 HD2 ASP 59 -4.137 1.708 -6.495 494 H ILE 60 H ILE 60 1.252 3.612 -5.100 495 HA ILE 60 HA ILE 60 1.800 5.995 -3.596 496 HB ILE 60 HB ILE 60 3.055 3.313 -4.001 497 1HG1 ILE 60 1HG1 ILE 60 2.858 3.130 -1.595 498 2HG1 ILE 60 2HG1 ILE 60 2.391 4.818 -1.439 499 1HG2 ILE 60 2HG2 ILE 60 4.469 5.583 -2.555 500 2HG2 ILE 60 3HG2 ILE 60 4.910 3.859 -2.506 501 3HG2 ILE 60 1HG2 ILE 60 5.022 4.747 -4.024 502 1HD1 ILE 60 2HD1 ILE 60 0.705 2.680 -2.790 503 2HD1 ILE 60 3HD1 ILE 60 0.522 3.242 -1.123 504 3HD1 ILE 60 1HD1 ILE 60 0.223 4.364 -2.459 505 H LEU 61 H LEU 61 3.213 4.685 -6.648 506 HA LEU 61 HA LEU 61 5.272 6.608 -6.910 507 1HB LEU 61 1HB LEU 61 3.644 5.170 -9.037 508 2HB LEU 61 2HB LEU 61 5.055 6.145 -9.401 509 HG LEU 61 HG LEU 61 5.230 3.733 -7.557 510 1HD1 LEU 61 3HD1 LEU 61 5.658 3.873 -10.575 511 2HD1 LEU 61 1HD1 LEU 61 6.050 2.481 -9.531 512 3HD1 LEU 61 2HD1 LEU 61 4.368 2.977 -9.723 513 1HD2 LEU 61 2HD2 LEU 61 7.142 5.306 -7.457 514 2HD2 LEU 61 3HD2 LEU 61 7.562 3.725 -8.108 515 3HD2 LEU 61 1HD2 LEU 61 7.382 5.113 -9.205 516 H THR 62 H THR 62 1.825 6.844 -7.751 517 HA THR 62 HA THR 62 2.180 9.549 -8.885 518 HB THR 62 HB THR 62 -0.325 9.416 -9.180 519 HG1 THR 62 HG1 THR 62 0.092 6.694 -8.479 520 1HG2 THR 62 3HG2 THR 62 1.255 8.890 -10.992 521 2HG2 THR 62 1HG2 THR 62 1.311 7.194 -10.473 522 3HG2 THR 62 2HG2 THR 62 -0.207 7.898 -11.087 523 H GLY 63 H GLY 63 2.496 8.616 -5.869 524 1HA GLY 63 1HA GLY 63 1.921 9.223 -3.773 525 2HA GLY 63 2HA GLY 63 2.107 10.858 -4.436 526 H LYS 64 H LYS 64 -0.431 8.330 -4.977 527 HA LYS 64 HA LYS 64 -2.419 10.468 -4.798 528 1HB LYS 64 1HB LYS 64 -2.359 8.749 -6.570 529 2HB LYS 64 2HB LYS 64 -2.649 7.469 -5.397 530 1HG LYS 64 1HG LYS 64 -4.917 8.046 -5.147 531 2HG LYS 64 2HG LYS 64 -4.641 9.732 -5.595 532 1HD LYS 64 1HD LYS 64 -5.881 8.573 -7.381 533 2HD LYS 64 2HD LYS 64 -4.315 9.161 -7.920 534 1HE LYS 64 1HE LYS 64 -4.392 7.059 -8.898 535 2HE LYS 64 2HE LYS 64 -3.416 6.780 -7.459 536 1HZ LYS 64 2HZ LYS 64 -5.696 6.085 -6.459 537 2HZ LYS 64 3HZ LYS 64 -6.177 5.912 -8.031 538 3HZ LYS 64 1HZ LYS 64 -4.912 5.059 -7.475 539 H LYS 65 H LYS 65 -4.026 10.550 -3.226 540 HA LYS 65 HA LYS 65 -3.048 9.665 -0.643 541 1HB LYS 65 1HB LYS 65 -5.374 11.342 -1.575 542 2HB LYS 65 2HB LYS 65 -5.345 10.822 0.086 543 1HG LYS 65 1HG LYS 65 -4.384 13.151 -0.630 544 2HG LYS 65 2HG LYS 65 -3.686 12.253 0.692 545 1HD LYS 65 1HD LYS 65 -2.416 12.113 -2.066 546 2HD LYS 65 2HD LYS 65 -2.147 13.480 -1.000 547 1HE LYS 65 1HE LYS 65 -1.185 12.131 0.747 548 2HE LYS 65 2HE LYS 65 -1.645 10.637 -0.036 549 1HZ LYS 65 3HZ LYS 65 -0.119 11.297 -1.883 550 2HZ LYS 65 1HZ LYS 65 0.504 12.429 -0.850 551 3HZ LYS 65 2HZ LYS 65 0.503 10.830 -0.423 552 HA PRO 66 HA PRO 66 -4.800 5.888 0.125 553 1HB PRO 66 1HB PRO 66 -5.829 6.027 2.705 554 2HB PRO 66 2HB PRO 66 -4.090 5.889 2.297 555 1HG PRO 66 1HG PRO 66 -5.693 8.417 2.845 556 2HG PRO 66 2HG PRO 66 -4.117 7.949 3.545 557 1HD PRO 66 1HD PRO 66 -4.148 9.609 1.479 558 2HD PRO 66 2HD PRO 66 -3.015 8.215 1.402 559 H GLN 67 H GLN 67 -7.184 8.356 1.307 560 HA GLN 67 HA GLN 67 -9.484 6.731 1.107 561 1HB GLN 67 1HB GLN 67 -9.609 8.786 2.258 562 2HB GLN 67 2HB GLN 67 -9.007 9.726 0.905 563 1HG GLN 67 1HG GLN 67 -11.678 8.248 0.813 564 2HG GLN 67 2HG GLN 67 -11.513 9.878 1.470 565 1HE2 GLN 67 2HE2 GLN 67 -12.448 10.119 -2.180 566 2HE2 GLN 67 1HE2 GLN 67 -13.183 9.225 -0.869 567 H ALA 68 H ALA 68 -7.777 8.650 -1.404 568 HA ALA 68 HA ALA 68 -9.779 8.066 -3.385 569 1HB ALA 68 2HB ALA 68 -8.360 10.089 -3.481 570 2HB ALA 68 3HB ALA 68 -6.909 9.079 -3.702 571 3HB ALA 68 1HB ALA 68 -8.178 9.105 -4.944 572 H ILE 69 H ILE 69 -6.579 6.609 -2.503 573 HA ILE 69 HA ILE 69 -6.527 4.794 -4.724 574 HB ILE 69 HB ILE 69 -5.341 4.580 -1.901 575 1HG1 ILE 69 1HG1 ILE 69 -3.860 5.153 -4.487 576 2HG1 ILE 69 2HG1 ILE 69 -4.512 6.434 -3.525 577 1HG2 ILE 69 3HG2 ILE 69 -5.068 2.789 -4.342 578 2HG2 ILE 69 1HG2 ILE 69 -3.816 2.801 -3.094 579 3HG2 ILE 69 2HG2 ILE 69 -5.459 2.320 -2.684 580 1HD1 ILE 69 3HD1 ILE 69 -2.591 4.397 -2.325 581 2HD1 ILE 69 1HD1 ILE 69 -2.084 5.893 -3.093 582 3HD1 ILE 69 2HD1 ILE 69 -3.129 5.951 -1.657 583 H CYS 70 H CYS 70 -7.777 4.298 -1.405 584 HA CYS 70 HA CYS 70 -8.680 1.609 -1.862 585 1HB CYS 70 1HB CYS 70 -9.688 3.690 0.143 586 2HB CYS 70 2HB CYS 70 -9.846 1.934 0.282 587 H VAL 71 H VAL 71 -10.352 4.788 -2.433 588 HA VAL 71 HA VAL 71 -12.852 3.418 -3.069 589 HB VAL 71 HB VAL 71 -11.759 6.207 -3.583 590 1HG1 VAL 71 3HG1 VAL 71 -14.500 5.116 -4.373 591 2HG1 VAL 71 1HG1 VAL 71 -14.049 6.833 -4.350 592 3HG1 VAL 71 2HG1 VAL 71 -13.254 5.726 -5.472 593 1HG2 VAL 71 1HG2 VAL 71 -12.489 5.592 -1.239 594 2HG2 VAL 71 2HG2 VAL 71 -13.473 6.866 -1.966 595 3HG2 VAL 71 3HG2 VAL 71 -14.100 5.212 -1.881 596 H ASP 72 H ASP 72 -10.082 4.744 -5.053 597 HA ASP 72 HA ASP 72 -11.005 4.205 -7.566 598 1HB ASP 72 1HB ASP 72 -9.021 5.489 -7.028 599 2HB ASP 72 2HB ASP 72 -8.205 4.081 -6.387 600 H ILE 73 H ILE 73 -8.914 1.952 -5.695 601 HA ILE 73 HA ILE 73 -9.346 -0.068 -7.792 602 HB ILE 73 HB ILE 73 -7.703 -1.390 -6.700 603 1HG1 ILE 73 1HG1 ILE 73 -8.239 0.445 -4.350 604 2HG1 ILE 73 2HG1 ILE 73 -8.155 -1.299 -4.431 605 1HG2 ILE 73 3HG2 ILE 73 -7.039 0.480 -8.143 606 2HG2 ILE 73 1HG2 ILE 73 -6.722 1.458 -6.702 607 3HG2 ILE 73 2HG2 ILE 73 -5.803 -0.050 -6.991 608 1HD1 ILE 73 2HD1 ILE 73 -5.721 -1.192 -4.690 609 2HD1 ILE 73 3HD1 ILE 73 -5.795 0.592 -4.608 610 3HD1 ILE 73 1HD1 ILE 73 -6.267 -0.365 -3.202 611 H LYS 74 H LYS 74 -11.247 0.903 -5.344 612 HA LYS 74 HA LYS 74 -13.124 0.330 -4.541 613 1HB LYS 74 1HB LYS 74 -13.496 -0.358 -6.882 614 2HB LYS 74 2HB LYS 74 -13.156 -2.036 -6.398 615 1HG LYS 74 1HG LYS 74 -14.902 -1.789 -4.646 616 2HG LYS 74 2HG LYS 74 -15.355 -0.225 -5.261 617 1HD LYS 74 1HD LYS 74 -15.281 -2.424 -7.273 618 2HD LYS 74 2HD LYS 74 -16.524 -2.576 -6.038 619 1HE LYS 74 1HE LYS 74 -17.501 -1.508 -7.966 620 2HE LYS 74 2HE LYS 74 -17.397 -0.345 -6.643 621 1HZ LYS 74 2HZ LYS 74 -15.390 0.547 -7.680 622 2HZ LYS 74 3HZ LYS 74 -15.699 -0.345 -9.067 623 3HZ LYS 74 1HZ LYS 74 -16.723 0.817 -8.404 624 H ILE 75 H ILE 75 -11.793 0.098 -2.738 625 HA ILE 75 HA ILE 75 -12.160 -2.514 -1.326 626 HB ILE 75 HB ILE 75 -9.852 -0.526 -1.317 627 1HG1 ILE 75 1HG1 ILE 75 -9.985 -3.514 -1.960 628 2HG1 ILE 75 2HG1 ILE 75 -9.813 -2.203 -3.127 629 1HG2 ILE 75 3HG2 ILE 75 -10.214 -1.161 1.026 630 2HG2 ILE 75 1HG2 ILE 75 -10.160 -2.891 0.559 631 3HG2 ILE 75 2HG2 ILE 75 -8.737 -1.851 0.419 632 1HD1 ILE 75 3HD1 ILE 75 -7.683 -1.535 -1.858 633 2HD1 ILE 75 1HD1 ILE 75 -7.785 -3.138 -1.093 634 3HD1 ILE 75 2HD1 ILE 75 -7.630 -3.014 -2.854 635 H CYS 76 H CYS 76 -12.682 0.977 -1.312 636 HA CYS 76 HA CYS 76 -12.937 1.088 1.566 637 1HB CYS 76 1HB CYS 76 -12.092 2.960 0.180 638 2HB CYS 76 2HB CYS 76 -13.659 3.122 -0.578 639 H LYS 77 H LYS 77 -15.354 2.629 -0.336 640 HA LYS 77 HA LYS 77 -17.745 1.267 -0.242 641 1HB LYS 77 1HB LYS 77 -17.577 1.384 2.238 642 2HB LYS 77 2HB LYS 77 -17.200 3.093 2.183 643 1HG LYS 77 1HG LYS 77 -19.857 1.936 1.203 644 2HG LYS 77 2HG LYS 77 -19.535 2.332 2.879 645 1HD LYS 77 1HD LYS 77 -20.480 4.310 2.398 646 2HD LYS 77 2HD LYS 77 -18.869 4.728 1.823 647 1HE LYS 77 1HE LYS 77 -19.844 3.620 -0.446 648 2HE LYS 77 2HE LYS 77 -21.390 4.048 0.275 649 1HZ LYS 77 2HZ LYS 77 -19.138 5.892 -0.340 650 2HZ LYS 77 3HZ LYS 77 -20.326 5.627 -1.262 651 3HZ LYS 77 1HZ LYS 77 -20.663 6.384 0.191 652 H GLU 78 H GLU 78 -17.277 2.222 -2.316 653 HA GLU 78 HA GLU 78 -16.396 4.857 -2.821 654 1HB GLU 78 1HB GLU 78 -18.309 3.245 -4.552 655 2HB GLU 78 2HB GLU 78 -17.147 4.475 -5.050 656 1HG GLU 78 1HG GLU 78 -15.297 2.819 -4.332 657 2HG GLU 78 2HG GLU 78 -16.572 1.618 -4.136 No H/Q in entry = 657 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -17.164 0.677 4.610 2 2H GLY 1 2H GLY 1 -16.188 0.058 3.453 3 3H GLY 1 3H GLY 1 -17.791 -0.293 3.424 4 1HA GLY 1 1HA GLY 1 -17.627 -1.543 5.474 5 2HA GLY 1 2HA GLY 1 -16.512 -2.165 4.237 6 H TYR 2 H TYR 2 -15.992 -2.693 6.960 7 HA TYR 2 HA TYR 2 -14.050 -1.259 8.306 8 1HB TYR 2 1HB TYR 2 -14.815 -3.395 9.082 9 2HB TYR 2 2HB TYR 2 -14.342 -4.193 7.586 10 HD1 TYR 2 HD2 TYR 2 -12.363 -1.895 9.909 11 HD2 TYR 2 HD1 TYR 2 -12.758 -5.815 8.107 12 HE1 TYR 2 HE2 TYR 2 -10.112 -2.477 10.672 13 HE2 TYR 2 HE1 TYR 2 -10.489 -6.396 8.901 14 HH TYR 2 HH TYR 2 -8.326 -3.946 9.956 15 H PHE 3 H PHE 3 -13.620 -3.108 5.294 16 HA PHE 3 HA PHE 3 -10.970 -2.935 4.764 17 1HB PHE 3 1HB PHE 3 -13.396 -2.465 3.003 18 2HB PHE 3 2HB PHE 3 -11.767 -2.413 2.375 19 HD1 PHE 3 HD1 PHE 3 -11.723 -5.018 4.839 20 HD2 PHE 3 HD2 PHE 3 -13.009 -4.014 0.824 21 HE1 PHE 3 HE1 PHE 3 -11.640 -7.392 4.205 22 HE2 PHE 3 HE2 PHE 3 -12.917 -6.410 0.209 23 HZ PHE 3 HZ PHE 3 -12.222 -8.096 1.895 24 H CYS 4 H CYS 4 -13.153 -0.034 4.616 25 HA CYS 4 HA CYS 4 -11.287 1.522 3.132 26 1HB CYS 4 1HB CYS 4 -13.765 2.034 3.553 27 2HB CYS 4 2HB CYS 4 -13.279 2.655 5.126 28 H GLU 5 H GLU 5 -11.759 1.141 6.671 29 HA GLU 5 HA GLU 5 -9.849 3.099 7.545 30 1HB GLU 5 1HB GLU 5 -11.592 2.180 8.998 31 2HB GLU 5 2HB GLU 5 -10.974 0.548 8.822 32 1HG GLU 5 1HG GLU 5 -9.465 2.842 10.138 33 2HG GLU 5 2HG GLU 5 -10.438 1.658 11.004 34 H SER 6 H SER 6 -9.649 -0.466 7.367 35 HA SER 6 HA SER 6 -6.891 -0.485 7.881 36 1HB SER 6 1HB SER 6 -8.828 -2.533 6.849 37 2HB SER 6 2HB SER 6 -7.086 -2.875 6.913 38 HG SER 6 HG SER 6 -8.299 -1.659 9.175 39 H CYS 7 H CYS 7 -8.522 -0.318 4.700 40 HA CYS 7 HA CYS 7 -6.188 -0.628 3.087 41 1HB CYS 7 1HB CYS 7 -8.342 -0.734 2.083 42 2HB CYS 7 2HB CYS 7 -8.816 0.843 2.717 43 H ARG 8 H ARG 8 -7.772 2.352 4.447 44 HA ARG 8 HA ARG 8 -5.795 4.146 3.535 45 1HB ARG 8 1HB ARG 8 -7.968 4.867 4.380 46 2HB ARG 8 2HB ARG 8 -7.601 4.293 5.999 47 1HG ARG 8 1HG ARG 8 -5.585 6.209 4.978 48 2HG ARG 8 2HG ARG 8 -7.212 6.883 5.000 49 1HD ARG 8 1HD ARG 8 -7.437 6.486 7.363 50 2HD ARG 8 2HD ARG 8 -5.973 5.513 7.410 51 HE ARG 8 HE ARG 8 -4.635 7.515 6.949 52 1HH1 ARG 8 2HH2 ARG 8 -7.964 8.259 7.979 53 2HH1 ARG 8 1HH2 ARG 8 -7.561 9.850 8.505 54 1HH2 ARG 8 2HH1 ARG 8 -4.136 9.562 7.539 55 2HH2 ARG 8 1HH1 ARG 8 -5.284 10.625 8.280 56 H LYS 9 H LYS 9 -5.924 2.260 6.598 57 HA LYS 9 HA LYS 9 -3.490 3.260 7.670 58 1HB LYS 9 1HB LYS 9 -5.253 2.031 8.924 59 2HB LYS 9 2HB LYS 9 -4.843 0.551 8.054 60 1HG LYS 9 1HG LYS 9 -2.604 0.546 9.000 61 2HG LYS 9 2HG LYS 9 -2.895 2.082 9.827 62 1HD LYS 9 1HD LYS 9 -4.827 -0.168 10.399 63 2HD LYS 9 2HD LYS 9 -3.175 -0.378 10.963 64 1HE LYS 9 1HE LYS 9 -4.454 0.536 12.756 65 2HE LYS 9 2HE LYS 9 -3.288 1.756 12.220 66 1HZ LYS 9 3HZ LYS 9 -6.143 1.680 11.425 67 2HZ LYS 9 1HZ LYS 9 -5.566 2.618 12.631 68 3HZ LYS 9 2HZ LYS 9 -5.108 2.862 11.060 69 H ILE 10 H ILE 10 -4.072 0.409 5.532 70 HA ILE 10 HA ILE 10 -1.403 -0.534 5.565 71 HB ILE 10 HB ILE 10 -3.715 -0.971 3.669 72 1HG1 ILE 10 1HG1 ILE 10 -2.271 -2.949 5.497 73 2HG1 ILE 10 2HG1 ILE 10 -3.539 -1.914 6.116 74 1HG2 ILE 10 3HG2 ILE 10 -0.956 -2.279 3.565 75 2HG2 ILE 10 1HG2 ILE 10 -2.383 -2.875 2.692 76 3HG2 ILE 10 2HG2 ILE 10 -1.707 -1.301 2.289 77 1HD1 ILE 10 2HD1 ILE 10 -5.131 -2.860 4.443 78 2HD1 ILE 10 3HD1 ILE 10 -3.859 -3.989 3.918 79 3HD1 ILE 10 1HD1 ILE 10 -4.481 -4.066 5.568 80 H ILE 11 H ILE 11 -3.096 1.617 3.202 81 HA ILE 11 HA ILE 11 -0.796 2.108 1.589 82 HB ILE 11 HB ILE 11 -3.358 3.673 2.077 83 1HG1 ILE 11 1HG1 ILE 11 -3.824 1.638 0.873 84 2HG1 ILE 11 2HG1 ILE 11 -3.922 2.981 -0.250 85 1HG2 ILE 11 2HG2 ILE 11 -1.192 4.327 0.043 86 2HG2 ILE 11 3HG2 ILE 11 -2.822 5.015 0.082 87 3HG2 ILE 11 1HG2 ILE 11 -1.706 5.337 1.397 88 1HD1 ILE 11 1HD1 ILE 11 -1.672 2.373 -1.142 89 2HD1 ILE 11 2HD1 ILE 11 -1.648 0.969 -0.043 90 3HD1 ILE 11 3HD1 ILE 11 -2.875 1.085 -1.306 91 H GLN 12 H GLN 12 -2.143 4.090 4.324 92 HA GLN 12 HA GLN 12 -0.114 6.055 4.162 93 1HB GLN 12 1HB GLN 12 -1.868 5.094 6.457 94 2HB GLN 12 2HB GLN 12 -0.710 6.408 6.643 95 1HG GLN 12 1HG GLN 12 -2.255 6.822 4.195 96 2HG GLN 12 2HG GLN 12 -3.335 6.575 5.568 97 1HE2 GLN 12 2HE2 GLN 12 -0.707 9.802 5.622 98 2HE2 GLN 12 1HE2 GLN 12 -0.488 8.540 4.452 99 H LYS 13 H LYS 13 -0.100 2.912 5.952 100 HA LYS 13 HA LYS 13 2.392 3.625 7.181 101 1HB LYS 13 1HB LYS 13 0.581 2.112 8.063 102 2HB LYS 13 2HB LYS 13 1.183 0.864 6.968 103 1HG LYS 13 1HG LYS 13 2.807 2.313 9.129 104 2HG LYS 13 2HG LYS 13 2.010 0.767 9.348 105 1HD LYS 13 1HD LYS 13 3.489 0.354 7.057 106 2HD LYS 13 2HD LYS 13 4.555 1.410 7.997 107 1HE LYS 13 1HE LYS 13 4.901 -0.167 9.607 108 2HE LYS 13 2HE LYS 13 3.269 -0.852 9.469 109 1HZ LYS 13 1HZ LYS 13 5.300 -1.173 7.368 110 2HZ LYS 13 2HZ LYS 13 5.038 -2.306 8.539 111 3HZ LYS 13 3HZ LYS 13 3.867 -1.955 7.474 112 H LEU 14 H LEU 14 1.563 2.363 3.966 113 HA LEU 14 HA LEU 14 4.311 1.425 3.404 114 1HB LEU 14 1HB LEU 14 2.426 0.531 2.073 115 2HB LEU 14 2HB LEU 14 1.956 2.144 1.590 116 HG LEU 14 HG LEU 14 3.911 2.432 0.219 117 1HD1 LEU 14 3HD1 LEU 14 4.844 -0.231 1.333 118 2HD1 LEU 14 1HD1 LEU 14 5.503 0.497 -0.150 119 3HD1 LEU 14 2HD1 LEU 14 5.697 1.311 1.395 120 1HD2 LEU 14 3HD2 LEU 14 1.938 1.186 -0.645 121 2HD2 LEU 14 1HD2 LEU 14 3.435 0.663 -1.422 122 3HD2 LEU 14 2HD2 LEU 14 2.696 -0.347 -0.164 123 H GLU 15 H GLU 15 2.338 4.360 2.962 124 HA GLU 15 HA GLU 15 4.178 5.957 1.563 125 1HB GLU 15 1HB GLU 15 1.656 6.153 2.026 126 2HB GLU 15 2HB GLU 15 2.072 6.792 3.611 127 1HG GLU 15 1HG GLU 15 3.004 8.789 2.618 128 2HG GLU 15 2HG GLU 15 2.817 8.089 0.995 129 H ASP 16 H ASP 16 3.617 5.716 5.114 130 HA ASP 16 HA ASP 16 5.814 7.009 6.189 131 1HB ASP 16 1HB ASP 16 4.205 5.961 7.668 132 2HB ASP 16 2HB ASP 16 4.322 4.433 6.874 133 H MET 17 H MET 17 5.948 3.851 4.644 134 HA MET 17 HA MET 17 8.682 3.432 5.641 135 1HB MET 17 1HB MET 17 6.847 1.751 3.891 136 2HB MET 17 2HB MET 17 8.529 1.316 4.279 137 1HG MET 17 1HG MET 17 8.053 1.472 6.677 138 2HG MET 17 2HG MET 17 6.401 1.976 6.348 139 1HE MET 17 1HE MET 17 8.968 -0.761 6.502 140 2HE MET 17 2HE MET 17 8.121 -2.223 5.942 141 3HE MET 17 3HE MET 17 8.617 -0.976 4.766 142 H VAL 18 H VAL 18 7.170 3.805 2.368 143 HA VAL 18 HA VAL 18 9.809 3.657 1.177 144 HB VAL 18 HB VAL 18 7.526 3.058 0.143 145 1HG1 VAL 18 1HG1 VAL 18 6.374 5.206 0.429 146 2HG1 VAL 18 2HG1 VAL 18 7.521 5.951 -0.708 147 3HG1 VAL 18 3HG1 VAL 18 6.450 4.666 -1.265 148 1HG2 VAL 18 3HG2 VAL 18 9.761 4.389 -1.354 149 2HG2 VAL 18 1HG2 VAL 18 9.522 2.679 -0.961 150 3HG2 VAL 18 2HG2 VAL 18 8.441 3.449 -2.119 151 H GLY 19 H GLY 19 7.619 6.257 2.280 152 1HA GLY 19 1HA GLY 19 8.092 8.312 2.966 153 2HA GLY 19 2HA GLY 19 9.809 8.067 2.629 154 HA PRO 20 HA PRO 20 8.300 11.002 -0.610 155 1HB PRO 20 1HB PRO 20 10.664 12.169 -1.305 156 2HB PRO 20 2HB PRO 20 9.895 12.477 0.281 157 1HG PRO 20 1HG PRO 20 12.083 10.471 -0.378 158 2HG PRO 20 2HG PRO 20 12.072 11.700 0.931 159 1HD PRO 20 1HD PRO 20 11.319 9.096 1.321 160 2HD PRO 20 2HD PRO 20 10.534 10.458 2.204 161 H GLN 21 H GLN 21 9.002 11.485 -2.767 162 HA GLN 21 HA GLN 21 8.521 10.270 -4.897 163 1HB GLN 21 1HB GLN 21 11.312 11.439 -4.606 164 2HB GLN 21 2HB GLN 21 10.522 11.054 -6.134 165 1HG GLN 21 1HG GLN 21 10.185 13.345 -5.904 166 2HG GLN 21 2HG GLN 21 8.636 12.637 -5.462 167 1HE2 GLN 21 2HE2 GLN 21 10.800 14.741 -2.681 168 2HE2 GLN 21 1HE2 GLN 21 11.533 14.342 -4.226 169 HA PRO 22 HA PRO 22 10.770 6.334 -4.265 170 1HB PRO 22 1HB PRO 22 8.807 4.573 -4.126 171 2HB PRO 22 2HB PRO 22 9.020 5.813 -2.847 172 1HG PRO 22 1HG PRO 22 7.113 5.949 -5.196 173 2HG PRO 22 2HG PRO 22 6.746 6.130 -3.440 174 1HD PRO 22 1HD PRO 22 7.294 8.288 -5.077 175 2HD PRO 22 2HD PRO 22 7.714 8.246 -3.336 176 H ASN 23 H ASN 23 10.463 4.098 -5.607 177 HA ASN 23 HA ASN 23 9.548 4.505 -8.359 178 1HB ASN 23 1HB ASN 23 11.547 3.643 -9.360 179 2HB ASN 23 2HB ASN 23 12.036 5.001 -8.347 180 1HD2 ASN 23 2HD2 ASN 23 13.830 2.923 -6.044 181 2HD2 ASN 23 1HD2 ASN 23 13.423 4.556 -6.520 182 H GLU 24 H GLU 24 9.372 2.358 -9.418 183 HA GLU 24 HA GLU 24 7.626 0.698 -8.199 184 1HB GLU 24 1HB GLU 24 8.083 0.858 -10.611 185 2HB GLU 24 2HB GLU 24 9.633 0.099 -10.376 186 1HG GLU 24 1HG GLU 24 8.272 -1.592 -11.272 187 2HG GLU 24 2HG GLU 24 8.354 -2.014 -9.570 188 H ASP 25 H ASP 25 11.217 0.174 -8.058 189 HA ASP 25 HA ASP 25 10.941 -2.466 -6.844 190 1HB ASP 25 1HB ASP 25 13.042 -2.056 -7.924 191 2HB ASP 25 2HB ASP 25 13.295 -0.550 -7.024 192 H THR 26 H THR 26 11.944 0.762 -5.655 193 HA THR 26 HA THR 26 12.156 0.002 -2.993 194 HB THR 26 HB THR 26 11.447 2.789 -4.010 195 HG1 THR 26 HG1 THR 26 13.748 1.145 -4.175 196 1HG2 THR 26 1HG2 THR 26 11.642 2.524 -1.501 197 2HG2 THR 26 2HG2 THR 26 13.265 1.861 -1.720 198 3HG2 THR 26 3HG2 THR 26 12.916 3.540 -2.186 199 H VAL 27 H VAL 27 9.248 1.063 -4.764 200 HA VAL 27 HA VAL 27 7.585 1.099 -2.385 201 HB VAL 27 HB VAL 27 6.636 0.600 -5.241 202 1HG1 VAL 27 3HG1 VAL 27 5.284 1.485 -2.645 203 2HG1 VAL 27 1HG1 VAL 27 4.518 1.629 -4.227 204 3HG1 VAL 27 2HG1 VAL 27 4.929 0.025 -3.602 205 1HG2 VAL 27 3HG2 VAL 27 6.819 3.246 -3.732 206 2HG2 VAL 27 1HG2 VAL 27 7.792 2.796 -5.136 207 3HG2 VAL 27 2HG2 VAL 27 6.062 2.990 -5.325 208 H THR 28 H THR 28 8.378 -1.464 -4.841 209 HA THR 28 HA THR 28 6.628 -3.434 -3.811 210 HB THR 28 HB THR 28 9.193 -3.605 -5.443 211 HG1 THR 28 HG1 THR 28 7.717 -2.638 -6.612 212 1HG2 THR 28 3HG2 THR 28 7.120 -5.760 -4.876 213 2HG2 THR 28 1HG2 THR 28 8.356 -5.828 -6.158 214 3HG2 THR 28 2HG2 THR 28 8.852 -5.802 -4.462 215 H GLN 29 H GLN 29 10.111 -2.775 -2.996 216 HA GLN 29 HA GLN 29 10.160 -4.944 -1.081 217 1HB GLN 29 1HB GLN 29 12.213 -3.886 -0.194 218 2HB GLN 29 2HB GLN 29 12.253 -4.370 -1.887 219 1HG GLN 29 1HG GLN 29 12.204 -2.166 -2.667 220 2HG GLN 29 2HG GLN 29 11.751 -1.500 -1.083 221 1HE2 GLN 29 2HE2 GLN 29 15.641 -1.781 -1.977 222 2HE2 GLN 29 1HE2 GLN 29 14.396 -1.917 -3.203 223 H ALA 30 H ALA 30 9.678 -1.360 -0.682 224 HA ALA 30 HA ALA 30 9.327 -1.429 2.101 225 1HB ALA 30 1HB ALA 30 9.633 0.654 0.839 226 2HB ALA 30 2HB ALA 30 8.043 0.441 0.068 227 3HB ALA 30 3HB ALA 30 8.157 0.727 1.815 228 H ALA 31 H ALA 31 7.001 -2.156 -0.457 229 HA ALA 31 HA ALA 31 4.651 -2.351 1.230 230 1HB ALA 31 3HB ALA 31 5.283 -3.274 -1.635 231 2HB ALA 31 1HB ALA 31 3.675 -3.256 -0.928 232 3HB ALA 31 2HB ALA 31 4.535 -1.733 -1.167 233 H SER 32 H SER 32 6.800 -4.853 -0.348 234 HA SER 32 HA SER 32 5.310 -7.045 0.810 235 1HB SER 32 1HB SER 32 7.443 -8.352 0.429 236 2HB SER 32 2HB SER 32 6.799 -7.539 -1.008 237 HG SER 32 HG SER 32 8.363 -5.990 -0.852 238 H GLN 33 H GLN 33 7.782 -4.931 2.134 239 HA GLN 33 HA GLN 33 7.665 -6.240 4.739 240 1HB GLN 33 1HB GLN 33 9.107 -3.823 3.584 241 2HB GLN 33 2HB GLN 33 9.050 -4.094 5.318 242 1HG GLN 33 1HG GLN 33 10.131 -6.122 3.327 243 2HG GLN 33 2HG GLN 33 11.104 -5.029 4.323 244 1HE2 GLN 33 2HE2 GLN 33 10.210 -8.454 6.029 245 2HE2 GLN 33 1HE2 GLN 33 10.467 -8.192 4.303 246 H VAL 34 H VAL 34 5.856 -3.580 3.157 247 HA VAL 34 HA VAL 34 5.143 -2.278 5.484 248 HB VAL 34 HB VAL 34 4.501 -1.521 3.137 249 1HG1 VAL 34 2HG1 VAL 34 2.846 -3.461 2.515 250 2HG1 VAL 34 3HG1 VAL 34 1.784 -2.710 3.686 251 3HG1 VAL 34 1HG1 VAL 34 2.331 -1.796 2.288 252 1HG2 VAL 34 2HG2 VAL 34 2.702 -1.260 5.510 253 2HG2 VAL 34 3HG2 VAL 34 4.047 -0.202 4.929 254 3HG2 VAL 34 1HG2 VAL 34 2.521 -0.312 4.042 255 H CYS 35 H CYS 35 3.696 -5.027 3.927 256 HA CYS 35 HA CYS 35 1.707 -5.561 5.923 257 1HB CYS 35 1HB CYS 35 3.177 -7.432 4.059 258 2HB CYS 35 2HB CYS 35 1.607 -7.739 4.842 259 H ASP 36 H ASP 36 5.111 -6.831 5.387 260 HA ASP 36 HA ASP 36 5.010 -8.653 7.500 261 1HB ASP 36 1HB ASP 36 6.777 -8.422 5.705 262 2HB ASP 36 2HB ASP 36 7.532 -7.217 6.773 263 H LYS 37 H LYS 37 6.130 -5.306 7.649 264 HA LYS 37 HA LYS 37 6.584 -5.178 10.444 265 1HB LYS 37 1HB LYS 37 7.887 -3.803 9.063 266 2HB LYS 37 2HB LYS 37 6.537 -3.121 8.238 267 1HG LYS 37 1HG LYS 37 5.991 -1.894 10.479 268 2HG LYS 37 2HG LYS 37 7.571 -2.437 11.025 269 1HD LYS 37 1HD LYS 37 8.692 -1.173 9.228 270 2HD LYS 37 2HD LYS 37 7.145 -0.798 8.497 271 1HE LYS 37 1HE LYS 37 6.564 0.508 10.608 272 2HE LYS 37 2HE LYS 37 8.271 0.350 11.037 273 1HZ LYS 37 3HZ LYS 37 8.695 1.591 8.850 274 2HZ LYS 37 1HZ LYS 37 7.091 1.997 8.833 275 3HZ LYS 37 2HZ LYS 37 7.984 2.453 10.026 276 H LEU 38 H LEU 38 3.635 -4.616 8.535 277 HA LEU 38 HA LEU 38 2.143 -3.424 10.814 278 1HB LEU 38 1HB LEU 38 1.353 -4.536 8.086 279 2HB LEU 38 2HB LEU 38 0.158 -4.156 9.297 280 HG LEU 38 HG LEU 38 2.016 -2.033 8.220 281 1HD1 LEU 38 3HD1 LEU 38 0.740 -3.076 6.360 282 2HD1 LEU 38 1HD1 LEU 38 -0.768 -2.758 7.244 283 3HD1 LEU 38 2HD1 LEU 38 0.251 -1.411 6.673 284 1HD2 LEU 38 3HD2 LEU 38 -0.679 -1.910 9.643 285 2HD2 LEU 38 1HD2 LEU 38 0.888 -1.383 10.301 286 3HD2 LEU 38 2HD2 LEU 38 0.152 -0.524 8.936 287 H LYS 39 H LYS 39 2.536 -5.049 12.454 288 HA LYS 39 HA LYS 39 1.715 -7.811 11.862 289 1HB LYS 39 1HB LYS 39 1.975 -8.262 14.254 290 2HB LYS 39 2HB LYS 39 3.419 -7.587 13.515 291 1HG LYS 39 1HG LYS 39 3.069 -5.436 14.592 292 2HG LYS 39 2HG LYS 39 1.478 -5.945 15.201 293 1HD LYS 39 1HD LYS 39 2.494 -7.694 16.562 294 2HD LYS 39 2HD LYS 39 4.101 -7.348 15.931 295 1HE LYS 39 1HE LYS 39 2.462 -5.258 17.431 296 2HE LYS 39 2HE LYS 39 3.421 -6.470 18.281 297 1HZ LYS 39 3HZ LYS 39 4.541 -4.520 16.364 298 2HZ LYS 39 1HZ LYS 39 4.655 -4.443 18.002 299 3HZ LYS 39 2HZ LYS 39 5.394 -5.658 17.196 300 H ILE 40 H ILE 40 -0.137 -8.821 13.044 301 HA ILE 40 HA ILE 40 -2.322 -9.063 13.458 302 HB ILE 40 HB ILE 40 -2.532 -6.061 13.954 303 1HG1 ILE 40 1HG1 ILE 40 -2.428 -8.388 15.932 304 2HG1 ILE 40 2HG1 ILE 40 -1.048 -7.357 15.551 305 1HG2 ILE 40 2HG2 ILE 40 -4.688 -7.042 13.238 306 2HG2 ILE 40 3HG2 ILE 40 -4.544 -8.285 14.495 307 3HG2 ILE 40 1HG2 ILE 40 -4.726 -6.573 14.923 308 1HD1 ILE 40 1HD1 ILE 40 -2.316 -5.362 16.352 309 2HD1 ILE 40 2HD1 ILE 40 -3.617 -6.453 16.893 310 3HD1 ILE 40 3HD1 ILE 40 -2.004 -6.582 17.603 311 H LEU 41 H LEU 41 -1.921 -6.002 11.591 312 HA LEU 41 HA LEU 41 -4.002 -6.830 9.755 313 1HB LEU 41 1HB LEU 41 -3.600 -4.519 10.657 314 2HB LEU 41 2HB LEU 41 -2.151 -4.410 9.659 315 HG LEU 41 HG LEU 41 -3.476 -4.436 7.624 316 1HD1 LEU 41 3HD1 LEU 41 -5.911 -4.884 9.420 317 2HD1 LEU 41 1HD1 LEU 41 -5.967 -4.515 7.692 318 3HD1 LEU 41 2HD1 LEU 41 -5.268 -6.032 8.223 319 1HD2 LEU 41 2HD2 LEU 41 -3.242 -2.283 8.780 320 2HD2 LEU 41 3HD2 LEU 41 -4.814 -2.381 7.968 321 3HD2 LEU 41 1HD2 LEU 41 -4.724 -2.609 9.716 322 H ARG 42 H ARG 42 -1.239 -8.114 9.946 323 HA ARG 42 HA ARG 42 0.282 -7.992 7.597 324 1HB ARG 42 1HB ARG 42 0.985 -9.115 9.673 325 2HB ARG 42 2HB ARG 42 -0.385 -10.203 9.598 326 1HG ARG 42 1HG ARG 42 1.328 -11.596 9.009 327 2HG ARG 42 2HG ARG 42 0.668 -11.168 7.443 328 1HD ARG 42 1HD ARG 42 2.999 -11.066 7.188 329 2HD ARG 42 2HD ARG 42 2.496 -9.386 7.301 330 HE ARG 42 HE ARG 42 3.336 -9.266 9.541 331 1HH1 ARG 42 2HH2 ARG 42 4.550 -12.213 7.826 332 2HH1 ARG 42 1HH2 ARG 42 6.167 -11.669 8.167 333 1HH2 ARG 42 2HH1 ARG 42 5.431 -9.126 10.308 334 2HH2 ARG 42 1HH1 ARG 42 6.627 -10.174 9.789 335 H GLY 43 H GLY 43 -2.527 -10.061 8.453 336 1HA GLY 43 1HA GLY 43 -2.549 -11.738 6.214 337 2HA GLY 43 2HA GLY 43 -3.957 -11.361 7.217 338 H LEU 44 H LEU 44 -4.640 -8.800 6.719 339 HA LEU 44 HA LEU 44 -5.891 -9.052 4.187 340 1HB LEU 44 1HB LEU 44 -6.869 -7.754 6.053 341 2HB LEU 44 2HB LEU 44 -5.550 -6.582 5.935 342 HG LEU 44 HG LEU 44 -6.278 -5.939 3.669 343 1HD1 LEU 44 1HD1 LEU 44 -8.566 -7.916 4.105 344 2HD1 LEU 44 2HD1 LEU 44 -8.508 -6.697 2.817 345 3HD1 LEU 44 3HD1 LEU 44 -7.318 -7.994 2.833 346 1HD2 LEU 44 1HD2 LEU 44 -7.174 -4.728 5.599 347 2HD2 LEU 44 2HD2 LEU 44 -8.366 -4.799 4.297 348 3HD2 LEU 44 3HD2 LEU 44 -8.537 -5.862 5.712 349 H CYS 45 H CYS 45 -3.151 -6.958 5.270 350 HA CYS 45 HA CYS 45 -2.582 -5.688 2.923 351 1HB CYS 45 1HB CYS 45 -1.658 -5.292 5.166 352 2HB CYS 45 2HB CYS 45 -0.663 -6.739 5.028 353 H LYS 46 H LYS 46 -1.034 -8.872 3.868 354 HA LYS 46 HA LYS 46 0.319 -9.026 1.328 355 1HB LYS 46 1HB LYS 46 -0.482 -11.439 2.982 356 2HB LYS 46 2HB LYS 46 0.732 -11.398 1.718 357 1HG LYS 46 1HG LYS 46 0.937 -10.013 4.399 358 2HG LYS 46 2HG LYS 46 1.613 -11.576 4.043 359 1HD LYS 46 1HD LYS 46 2.540 -9.088 2.573 360 2HD LYS 46 2HD LYS 46 3.102 -9.542 4.196 361 1HE LYS 46 1HE LYS 46 3.819 -11.783 3.142 362 2HE LYS 46 2HE LYS 46 3.699 -10.920 1.602 363 1HZ LYS 46 3HZ LYS 46 5.276 -9.225 2.654 364 2HZ LYS 46 1HZ LYS 46 5.467 -10.246 3.903 365 3HZ LYS 46 2HZ LYS 46 5.926 -10.711 2.415 366 H LYS 47 H LYS 47 -2.946 -10.148 2.314 367 HA LYS 47 HA LYS 47 -3.541 -11.580 -0.117 368 1HB LYS 47 1HB LYS 47 -4.808 -11.727 2.076 369 2HB LYS 47 2HB LYS 47 -5.517 -10.160 1.674 370 1HG LYS 47 1HG LYS 47 -7.075 -11.725 0.929 371 2HG LYS 47 2HG LYS 47 -6.295 -11.198 -0.535 372 1HD LYS 47 1HD LYS 47 -6.436 -13.496 -0.871 373 2HD LYS 47 2HD LYS 47 -4.807 -13.345 -0.244 374 1HE LYS 47 1HE LYS 47 -5.702 -15.183 0.913 375 2HE LYS 47 2HE LYS 47 -5.778 -13.863 2.084 376 1HZ LYS 47 2HZ LYS 47 -8.037 -14.862 0.437 377 2HZ LYS 47 3HZ LYS 47 -7.819 -15.153 2.031 378 3HZ LYS 47 1HZ LYS 47 -8.142 -13.626 1.518 379 H ILE 48 H ILE 48 -4.166 -8.123 0.738 380 HA ILE 48 HA ILE 48 -5.334 -7.442 -1.767 381 HB ILE 48 HB ILE 48 -3.766 -5.812 0.273 382 1HG1 ILE 48 1HG1 ILE 48 -6.727 -5.822 -0.502 383 2HG1 ILE 48 2HG1 ILE 48 -6.058 -6.696 0.870 384 1HG2 ILE 48 1HG2 ILE 48 -3.438 -4.725 -1.939 385 2HG2 ILE 48 2HG2 ILE 48 -5.194 -4.753 -2.218 386 3HG2 ILE 48 3HG2 ILE 48 -4.486 -3.761 -0.928 387 1HD1 ILE 48 3HD1 ILE 48 -5.274 -4.510 1.841 388 2HD1 ILE 48 1HD1 ILE 48 -6.156 -3.673 0.538 389 3HD1 ILE 48 2HD1 ILE 48 -7.038 -4.670 1.694 390 H MET 49 H MET 49 -1.889 -7.172 -0.676 391 HA MET 49 HA MET 49 -0.923 -6.317 -3.193 392 1HB MET 49 1HB MET 49 0.457 -7.671 -0.852 393 2HB MET 49 2HB MET 49 1.299 -6.997 -2.268 394 1HG MET 49 1HG MET 49 0.119 -4.838 -1.934 395 2HG MET 49 2HG MET 49 -0.605 -5.461 -0.450 396 1HE MET 49 2HE MET 49 0.825 -2.848 -0.974 397 2HE MET 49 3HE MET 49 0.280 -3.176 0.693 398 3HE MET 49 1HE MET 49 1.938 -2.608 0.371 399 H ARG 50 H ARG 50 -1.705 -9.696 -2.283 400 HA ARG 50 HA ARG 50 -0.166 -10.812 -4.434 401 1HB ARG 50 1HB ARG 50 -1.201 -12.225 -2.696 402 2HB ARG 50 2HB ARG 50 -2.807 -11.791 -3.245 403 1HG ARG 50 1HG ARG 50 -2.114 -14.044 -4.009 404 2HG ARG 50 2HG ARG 50 -2.539 -12.966 -5.335 405 1HD ARG 50 1HD ARG 50 -0.160 -12.590 -5.842 406 2HD ARG 50 2HD ARG 50 0.314 -13.612 -4.469 407 HE ARG 50 HE ARG 50 -1.270 -15.282 -5.903 408 1HH1 ARG 50 2HH2 ARG 50 1.457 -13.260 -6.947 409 2HH1 ARG 50 1HH2 ARG 50 1.994 -14.348 -8.168 410 1HH2 ARG 50 2HH1 ARG 50 -0.577 -16.740 -7.579 411 2HH2 ARG 50 1HH1 ARG 50 0.788 -16.357 -8.541 412 H SER 51 H SER 51 -3.530 -9.722 -4.302 413 HA SER 51 HA SER 51 -3.822 -10.083 -7.231 414 1HB SER 51 1HB SER 51 -5.582 -10.609 -5.446 415 2HB SER 51 2HB SER 51 -5.882 -8.869 -5.368 416 HG SER 51 HG SER 51 -7.268 -9.860 -6.865 417 H PHE 52 H PHE 52 -2.876 -7.462 -5.164 418 HA PHE 52 HA PHE 52 -3.181 -5.512 -7.400 419 1HB PHE 52 1HB PHE 52 -3.609 -5.101 -4.400 420 2HB PHE 52 2HB PHE 52 -3.658 -3.829 -5.583 421 HD1 PHE 52 HD1 PHE 52 -5.487 -6.913 -4.494 422 HD2 PHE 52 HD2 PHE 52 -5.681 -3.159 -6.591 423 HE1 PHE 52 HE1 PHE 52 -7.933 -7.178 -4.748 424 HE2 PHE 52 HE2 PHE 52 -8.123 -3.476 -6.901 425 HZ PHE 52 HZ PHE 52 -9.249 -5.458 -5.974 426 H LEU 53 H LEU 53 -0.749 -7.091 -6.895 427 HA LEU 53 HA LEU 53 1.035 -5.759 -5.265 428 1HB LEU 53 1HB LEU 53 1.280 -8.014 -6.600 429 2HB LEU 53 2HB LEU 53 1.936 -7.041 -7.869 430 HG LEU 53 HG LEU 53 3.868 -7.657 -6.829 431 1HD1 LEU 53 1HD1 LEU 53 3.940 -5.176 -6.644 432 2HD1 LEU 53 2HD1 LEU 53 3.246 -5.281 -5.005 433 3HD1 LEU 53 3HD1 LEU 53 4.832 -5.967 -5.352 434 1HD2 LEU 53 2HD2 LEU 53 2.755 -8.989 -5.082 435 2HD2 LEU 53 3HD2 LEU 53 4.158 -8.114 -4.448 436 3HD2 LEU 53 1HD2 LEU 53 2.516 -7.519 -4.114 437 H ARG 54 H ARG 54 1.160 -5.435 -8.842 438 HA ARG 54 HA ARG 54 2.703 -2.994 -8.693 439 1HB ARG 54 1HB ARG 54 2.912 -4.500 -10.570 440 2HB ARG 54 2HB ARG 54 1.228 -4.245 -11.049 441 1HG ARG 54 1HG ARG 54 1.638 -2.020 -11.756 442 2HG ARG 54 2HG ARG 54 3.160 -1.911 -10.857 443 1HD ARG 54 1HD ARG 54 4.313 -3.319 -12.422 444 2HD ARG 54 2HD ARG 54 2.805 -3.858 -13.160 445 HE ARG 54 HE ARG 54 2.957 -2.164 -14.612 446 1HH1 ARG 54 2HH2 ARG 54 4.866 -1.156 -11.780 447 2HH1 ARG 54 1HH2 ARG 54 5.184 0.413 -12.313 448 1HH2 ARG 54 2HH1 ARG 54 3.588 -0.111 -15.517 449 2HH2 ARG 54 1HH1 ARG 54 4.564 0.959 -14.580 450 H ARG 55 H ARG 55 -0.698 -3.588 -8.296 451 HA ARG 55 HA ARG 55 -1.600 -1.075 -9.241 452 1HB ARG 55 1HB ARG 55 -2.765 -3.248 -7.601 453 2HB ARG 55 2HB ARG 55 -3.528 -1.678 -7.584 454 1HG ARG 55 1HG ARG 55 -4.172 -1.780 -9.804 455 2HG ARG 55 2HG ARG 55 -2.807 -2.815 -10.283 456 1HD ARG 55 1HD ARG 55 -3.774 -4.725 -9.245 457 2HD ARG 55 2HD ARG 55 -5.084 -3.746 -8.543 458 HE ARG 55 HE ARG 55 -5.419 -3.302 -11.171 459 1HH1 ARG 55 2HH2 ARG 55 -5.170 -6.408 -9.317 460 2HH1 ARG 55 1HH2 ARG 55 -6.276 -7.213 -10.325 461 1HH2 ARG 55 2HH1 ARG 55 -6.897 -4.460 -12.499 462 2HH2 ARG 55 1HH1 ARG 55 -7.265 -6.107 -12.188 463 H ILE 56 H ILE 56 -0.809 -2.366 -5.900 464 HA ILE 56 HA ILE 56 -1.166 0.213 -4.727 465 HB ILE 56 HB ILE 56 0.507 -2.071 -3.643 466 1HG1 ILE 56 1HG1 ILE 56 -1.570 -3.089 -3.675 467 2HG1 ILE 56 2HG1 ILE 56 -1.646 -2.286 -2.140 468 1HG2 ILE 56 1HG2 ILE 56 -0.641 0.466 -2.421 469 2HG2 ILE 56 2HG2 ILE 56 -0.047 -0.886 -1.437 470 3HG2 ILE 56 3HG2 ILE 56 1.053 -0.028 -2.514 471 1HD1 ILE 56 1HD1 ILE 56 -2.964 -0.414 -3.285 472 2HD1 ILE 56 2HD1 ILE 56 -3.033 -1.452 -4.722 473 3HD1 ILE 56 3HD1 ILE 56 -3.762 -2.006 -3.222 474 H SER 57 H SER 57 1.556 -1.187 -6.522 475 HA SER 57 HA SER 57 3.405 0.828 -5.761 476 1HB SER 57 1HB SER 57 3.916 -1.379 -6.946 477 2HB SER 57 2HB SER 57 3.419 -0.562 -8.449 478 HG SER 57 HG SER 57 5.417 0.036 -8.415 479 H TRP 58 H TRP 58 1.355 0.637 -8.789 480 HA TRP 58 HA TRP 58 1.804 3.221 -9.744 481 1HB TRP 58 1HB TRP 58 0.452 2.246 -11.245 482 2HB TRP 58 2HB TRP 58 -0.305 1.211 -10.058 483 HD1 TRP 58 HD1 TRP 58 -0.687 4.966 -11.114 484 HE1 TRP 58 HE1 TRP 58 -3.155 5.561 -11.078 485 HE3 TRP 58 HE3 TRP 58 -2.524 0.647 -9.141 486 HZ2 TRP 58 HZ2 TRP 58 -5.683 4.252 -10.313 487 HZ3 TRP 58 HZ3 TRP 58 -4.890 0.318 -8.794 488 HH2 TRP 58 HH2 TRP 58 -6.492 2.118 -9.279 489 H ASP 59 H ASP 59 -0.545 2.228 -7.269 490 HA ASP 59 HA ASP 59 -1.741 4.713 -6.831 491 1HB ASP 59 1HB ASP 59 -1.346 2.298 -5.040 492 2HB ASP 59 2HB ASP 59 -2.116 3.726 -4.439 493 HD1 ASP 59 HD2 ASP 59 -4.890 3.448 -6.912 494 H ILE 60 H ILE 60 1.101 3.437 -5.016 495 HA ILE 60 HA ILE 60 1.602 5.942 -3.692 496 HB ILE 60 HB ILE 60 2.988 3.319 -3.997 497 1HG1 ILE 60 1HG1 ILE 60 2.925 3.243 -1.622 498 2HG1 ILE 60 2HG1 ILE 60 2.494 4.938 -1.477 499 1HG2 ILE 60 1HG2 ILE 60 4.371 5.747 -2.803 500 2HG2 ILE 60 2HG2 ILE 60 4.896 4.053 -2.668 501 3HG2 ILE 60 3HG2 ILE 60 4.875 4.836 -4.245 502 1HD1 ILE 60 2HD1 ILE 60 0.648 2.797 -2.576 503 2HD1 ILE 60 3HD1 ILE 60 0.665 3.416 -0.913 504 3HD1 ILE 60 1HD1 ILE 60 0.241 4.507 -2.243 505 H LEU 61 H LEU 61 2.983 4.523 -6.701 506 HA LEU 61 HA LEU 61 4.955 6.489 -7.127 507 1HB LEU 61 1HB LEU 61 3.355 4.846 -9.122 508 2HB LEU 61 2HB LEU 61 4.731 5.839 -9.577 509 HG LEU 61 HG LEU 61 4.976 3.578 -7.554 510 1HD1 LEU 61 2HD1 LEU 61 5.441 3.541 -10.571 511 2HD1 LEU 61 3HD1 LEU 61 5.891 2.251 -9.438 512 3HD1 LEU 61 1HD1 LEU 61 4.189 2.638 -9.679 513 1HD2 LEU 61 3HD2 LEU 61 6.834 5.257 -7.549 514 2HD2 LEU 61 1HD2 LEU 61 7.311 3.635 -8.041 515 3HD2 LEU 61 2HD2 LEU 61 7.113 4.904 -9.268 516 H THR 62 H THR 62 1.517 6.534 -8.015 517 HA THR 62 HA THR 62 1.767 9.166 -9.324 518 HB THR 62 HB THR 62 -0.759 9.008 -9.453 519 HG1 THR 62 HG1 THR 62 -0.255 6.360 -8.548 520 1HG2 THR 62 1HG2 THR 62 0.725 8.389 -11.307 521 2HG2 THR 62 2HG2 THR 62 0.840 6.731 -10.690 522 3HG2 THR 62 3HG2 THR 62 -0.721 7.374 -11.266 523 H GLY 63 H GLY 63 2.329 8.527 -6.300 524 1HA GLY 63 1HA GLY 63 1.904 9.270 -4.212 525 2HA GLY 63 2HA GLY 63 1.988 10.857 -5.008 526 H LYS 64 H LYS 64 -0.480 8.208 -5.212 527 HA LYS 64 HA LYS 64 -2.495 10.325 -5.077 528 1HB LYS 64 1HB LYS 64 -2.387 8.412 -6.689 529 2HB LYS 64 2HB LYS 64 -2.789 7.283 -5.407 530 1HG LYS 64 1HG LYS 64 -5.034 7.878 -5.463 531 2HG LYS 64 2HG LYS 64 -4.665 9.576 -5.768 532 1HD LYS 64 1HD LYS 64 -5.742 8.843 -7.709 533 2HD LYS 64 2HD LYS 64 -4.054 8.994 -8.147 534 1HE LYS 64 1HE LYS 64 -5.617 6.418 -7.640 535 2HE LYS 64 2HE LYS 64 -5.102 7.040 -9.193 536 1HZ LYS 64 1HZ LYS 64 -2.767 6.683 -8.408 537 2HZ LYS 64 2HZ LYS 64 -3.414 5.934 -7.076 538 3HZ LYS 64 3HZ LYS 64 -3.710 5.311 -8.525 539 H LYS 65 H LYS 65 -4.027 10.486 -3.466 540 HA LYS 65 HA LYS 65 -2.894 9.813 -0.865 541 1HB LYS 65 1HB LYS 65 -5.210 11.509 -1.765 542 2HB LYS 65 2HB LYS 65 -5.104 11.083 -0.080 543 1HG LYS 65 1HG LYS 65 -4.035 13.313 -1.120 544 2HG LYS 65 2HG LYS 65 -3.467 12.569 0.351 545 1HD LYS 65 1HD LYS 65 -2.107 11.993 -2.304 546 2HD LYS 65 2HD LYS 65 -1.748 13.427 -1.371 547 1HE LYS 65 1HE LYS 65 -0.827 12.270 0.452 548 2HE LYS 65 2HE LYS 65 -1.601 10.757 0.042 549 1HZ LYS 65 2HZ LYS 65 -0.117 10.705 -1.956 550 2HZ LYS 65 3HZ LYS 65 0.752 11.914 -1.250 551 3HZ LYS 65 1HZ LYS 65 0.552 10.477 -0.459 552 HA PRO 66 HA PRO 66 -4.672 6.136 0.175 553 1HB PRO 66 1HB PRO 66 -5.504 6.354 2.798 554 2HB PRO 66 2HB PRO 66 -3.796 6.228 2.288 555 1HG PRO 66 1HG PRO 66 -5.372 8.759 2.883 556 2HG PRO 66 2HG PRO 66 -3.745 8.324 3.475 557 1HD PRO 66 1HD PRO 66 -3.972 9.925 1.366 558 2HD PRO 66 2HD PRO 66 -2.788 8.577 1.285 559 H GLN 67 H GLN 67 -6.912 8.691 1.415 560 HA GLN 67 HA GLN 67 -9.198 7.021 1.346 561 1HB GLN 67 1HB GLN 67 -8.980 9.183 2.597 562 2HB GLN 67 2HB GLN 67 -9.037 10.060 1.064 563 1HG GLN 67 1HG GLN 67 -11.214 10.047 2.259 564 2HG GLN 67 2HG GLN 67 -11.331 9.300 0.668 565 1HE2 GLN 67 2HE2 GLN 67 -12.403 6.185 1.961 566 2HE2 GLN 67 1HE2 GLN 67 -11.965 7.122 0.526 567 H ALA 68 H ALA 68 -7.506 8.671 -1.257 568 HA ALA 68 HA ALA 68 -9.739 8.340 -3.143 569 1HB ALA 68 2HB ALA 68 -8.163 10.239 -3.440 570 2HB ALA 68 3HB ALA 68 -6.806 9.098 -3.617 571 3HB ALA 68 1HB ALA 68 -8.111 9.120 -4.812 572 H ILE 69 H ILE 69 -6.471 6.839 -2.477 573 HA ILE 69 HA ILE 69 -6.531 4.879 -4.445 574 HB ILE 69 HB ILE 69 -5.313 4.807 -1.684 575 1HG1 ILE 69 1HG1 ILE 69 -4.037 5.009 -4.444 576 2HG1 ILE 69 2HG1 ILE 69 -4.539 6.431 -3.575 577 1HG2 ILE 69 3HG2 ILE 69 -5.189 2.749 -3.935 578 2HG2 ILE 69 1HG2 ILE 69 -3.948 2.838 -2.680 579 3HG2 ILE 69 2HG2 ILE 69 -5.612 2.476 -2.240 580 1HD1 ILE 69 2HD1 ILE 69 -2.562 4.456 -2.362 581 2HD1 ILE 69 3HD1 ILE 69 -2.103 5.858 -3.327 582 3HD1 ILE 69 1HD1 ILE 69 -2.992 6.084 -1.808 583 H CYS 70 H CYS 70 -7.987 4.607 -1.145 584 HA CYS 70 HA CYS 70 -8.880 1.928 -1.603 585 1HB CYS 70 1HB CYS 70 -10.084 4.039 0.233 586 2HB CYS 70 2HB CYS 70 -10.295 2.282 0.362 587 H VAL 71 H VAL 71 -10.507 5.022 -2.540 588 HA VAL 71 HA VAL 71 -12.877 3.534 -3.391 589 HB VAL 71 HB VAL 71 -12.061 6.429 -3.750 590 1HG1 VAL 71 1HG1 VAL 71 -14.721 5.039 -4.368 591 2HG1 VAL 71 2HG1 VAL 71 -14.440 6.791 -4.413 592 3HG1 VAL 71 3HG1 VAL 71 -13.620 5.733 -5.566 593 1HG2 VAL 71 2HG2 VAL 71 -12.606 5.740 -1.386 594 2HG2 VAL 71 3HG2 VAL 71 -13.805 6.848 -2.057 595 3HG2 VAL 71 1HG2 VAL 71 -14.173 5.119 -1.960 596 H ASP 72 H ASP 72 -10.025 4.915 -4.921 597 HA ASP 72 HA ASP 72 -10.348 4.565 -7.615 598 1HB ASP 72 1HB ASP 72 -8.637 5.830 -6.597 599 2HB ASP 72 2HB ASP 72 -8.075 4.475 -5.673 600 H ILE 73 H ILE 73 -8.873 2.062 -5.450 601 HA ILE 73 HA ILE 73 -9.279 0.100 -7.651 602 HB ILE 73 HB ILE 73 -8.065 -1.475 -5.979 603 1HG1 ILE 73 1HG1 ILE 73 -7.041 1.224 -5.050 604 2HG1 ILE 73 2HG1 ILE 73 -8.136 0.183 -4.089 605 1HG2 ILE 73 3HG2 ILE 73 -7.310 -0.668 -8.228 606 2HG2 ILE 73 1HG2 ILE 73 -6.627 0.763 -7.418 607 3HG2 ILE 73 2HG2 ILE 73 -5.980 -0.859 -7.086 608 1HD1 ILE 73 1HD1 ILE 73 -6.383 -1.602 -4.343 609 2HD1 ILE 73 2HD1 ILE 73 -5.332 -0.342 -5.059 610 3HD1 ILE 73 3HD1 ILE 73 -5.905 -0.153 -3.384 611 H LYS 74 H LYS 74 -11.030 1.194 -5.340 612 HA LYS 74 HA LYS 74 -13.144 0.921 -4.725 613 1HB LYS 74 1HB LYS 74 -13.298 0.104 -7.120 614 2HB LYS 74 2HB LYS 74 -13.241 -1.552 -6.496 615 1HG LYS 74 1HG LYS 74 -15.128 -0.102 -4.960 616 2HG LYS 74 2HG LYS 74 -15.361 0.363 -6.602 617 1HD LYS 74 1HD LYS 74 -16.908 -1.314 -6.457 618 2HD LYS 74 2HD LYS 74 -15.519 -2.286 -6.929 619 1HE LYS 74 1HE LYS 74 -16.735 -3.326 -5.052 620 2HE LYS 74 2HE LYS 74 -15.112 -2.842 -4.536 621 1HZ LYS 74 1HZ LYS 74 -17.597 -1.273 -3.950 622 2HZ LYS 74 2HZ LYS 74 -16.820 -2.241 -2.900 623 3HZ LYS 74 3HZ LYS 74 -16.091 -0.894 -3.465 624 H ILE 75 H ILE 75 -12.219 0.579 -2.698 625 HA ILE 75 HA ILE 75 -12.679 -2.081 -1.428 626 HB ILE 75 HB ILE 75 -10.339 -0.147 -1.202 627 1HG1 ILE 75 1HG1 ILE 75 -10.511 -2.995 -2.307 628 2HG1 ILE 75 2HG1 ILE 75 -10.168 -1.522 -3.215 629 1HG2 ILE 75 2HG2 ILE 75 -10.743 -2.716 0.366 630 2HG2 ILE 75 3HG2 ILE 75 -9.255 -1.747 0.356 631 3HG2 ILE 75 1HG2 ILE 75 -10.701 -1.045 1.015 632 1HD1 ILE 75 2HD1 ILE 75 -8.053 -1.252 -1.865 633 2HD1 ILE 75 3HD1 ILE 75 -8.329 -2.911 -1.264 634 3HD1 ILE 75 1HD1 ILE 75 -8.117 -2.628 -2.994 635 H CYS 76 H CYS 76 -13.229 1.393 -1.284 636 HA CYS 76 HA CYS 76 -13.320 1.431 1.639 637 1HB CYS 76 1HB CYS 76 -12.360 3.343 0.379 638 2HB CYS 76 2HB CYS 76 -13.923 3.633 -0.345 639 H LYS 77 H LYS 77 -15.679 2.835 -0.644 640 HA LYS 77 HA LYS 77 -17.804 1.287 0.335 641 1HB LYS 77 1HB LYS 77 -17.853 2.621 2.317 642 2HB LYS 77 2HB LYS 77 -17.754 4.118 1.403 643 1HG LYS 77 1HG LYS 77 -19.991 3.538 2.497 644 2HG LYS 77 2HG LYS 77 -20.010 4.130 0.873 645 1HD LYS 77 1HD LYS 77 -20.055 1.358 0.425 646 2HD LYS 77 2HD LYS 77 -20.885 1.516 1.964 647 1HE LYS 77 1HE LYS 77 -22.598 1.646 0.344 648 2HE LYS 77 2HE LYS 77 -22.335 3.326 0.839 649 1HZ LYS 77 3HZ LYS 77 -20.860 3.466 -1.207 650 2HZ LYS 77 1HZ LYS 77 -21.364 2.019 -1.657 651 3HZ LYS 77 2HZ LYS 77 -22.463 3.218 -1.555 652 H GLU 78 H GLU 78 -17.056 1.238 -2.029 653 HA GLU 78 HA GLU 78 -18.864 2.881 -3.664 654 1HB GLU 78 1HB GLU 78 -17.170 0.601 -4.682 655 2HB GLU 78 2HB GLU 78 -17.678 2.060 -5.458 656 1HG GLU 78 1HG GLU 78 -15.298 2.194 -5.129 657 2HG GLU 78 2HG GLU 78 -16.102 3.377 -4.102 No H/Q in entry = 657 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -17.055 -0.081 3.916 2 2H GLY 1 2H GLY 1 -16.070 -0.850 2.871 3 3H GLY 1 3H GLY 1 -17.672 -1.228 2.900 4 1HA GLY 1 1HA GLY 1 -17.490 -2.113 5.137 5 2HA GLY 1 2HA GLY 1 -16.399 -2.947 4.008 6 H TYR 2 H TYR 2 -15.651 -3.187 6.667 7 HA TYR 2 HA TYR 2 -14.044 -1.216 7.783 8 1HB TYR 2 1HB TYR 2 -14.525 -3.251 9.006 9 2HB TYR 2 2HB TYR 2 -13.679 -4.231 7.806 10 HD1 TYR 2 HD1 TYR 2 -12.855 -1.125 9.841 11 HD2 TYR 2 HD2 TYR 2 -11.608 -5.075 8.601 12 HE1 TYR 2 HE1 TYR 2 -10.638 -0.736 10.823 13 HE2 TYR 2 HE2 TYR 2 -9.389 -4.687 9.622 14 HH TYR 2 HH TYR 2 -8.444 -1.377 10.613 15 H PHE 3 H PHE 3 -13.279 -3.384 5.105 16 HA PHE 3 HA PHE 3 -10.684 -3.139 4.577 17 1HB PHE 3 1HB PHE 3 -13.064 -2.894 2.732 18 2HB PHE 3 2HB PHE 3 -11.435 -2.789 2.110 19 HD1 PHE 3 HD2 PHE 3 -9.773 -4.604 2.527 20 HD2 PHE 3 HD1 PHE 3 -14.029 -5.117 3.017 21 HE1 PHE 3 HE2 PHE 3 -9.513 -7.054 2.215 22 HE2 PHE 3 HE1 PHE 3 -13.764 -7.560 2.699 23 HZ PHE 3 HZ PHE 3 -11.522 -8.526 2.283 24 H CYS 4 H CYS 4 -12.897 -0.302 4.248 25 HA CYS 4 HA CYS 4 -11.061 1.319 2.803 26 1HB CYS 4 1HB CYS 4 -13.562 1.817 3.445 27 2HB CYS 4 2HB CYS 4 -12.906 2.426 4.951 28 H GLU 5 H GLU 5 -11.484 0.841 6.336 29 HA GLU 5 HA GLU 5 -9.475 2.756 7.149 30 1HB GLU 5 1HB GLU 5 -11.474 1.866 8.480 31 2HB GLU 5 2HB GLU 5 -10.607 0.350 8.645 32 1HG GLU 5 1HG GLU 5 -9.733 3.083 9.663 33 2HG GLU 5 2HG GLU 5 -10.398 1.779 10.641 34 H SER 6 H SER 6 -9.658 -0.841 6.801 35 HA SER 6 HA SER 6 -7.090 -1.491 7.608 36 1HB SER 6 1HB SER 6 -8.368 -2.817 5.194 37 2HB SER 6 2HB SER 6 -7.419 -3.543 6.492 38 HG SER 6 HG SER 6 -9.310 -2.916 7.872 39 H CYS 7 H CYS 7 -8.205 -0.659 4.344 40 HA CYS 7 HA CYS 7 -5.757 -0.825 2.925 41 1HB CYS 7 1HB CYS 7 -7.922 -0.929 1.915 42 2HB CYS 7 2HB CYS 7 -8.368 0.664 2.497 43 H ARG 8 H ARG 8 -7.471 2.019 4.423 44 HA ARG 8 HA ARG 8 -5.515 3.886 3.607 45 1HB ARG 8 1HB ARG 8 -7.836 4.395 4.632 46 2HB ARG 8 2HB ARG 8 -7.087 4.090 6.209 47 1HG ARG 8 1HG ARG 8 -5.253 5.812 5.206 48 2HG ARG 8 2HG ARG 8 -6.625 6.324 4.226 49 1HD ARG 8 1HD ARG 8 -7.879 6.923 6.223 50 2HD ARG 8 2HD ARG 8 -6.680 6.148 7.261 51 HE ARG 8 HE ARG 8 -5.042 7.803 6.719 52 1HH1 ARG 8 2HH2 ARG 8 -8.283 8.779 5.551 53 2HH1 ARG 8 1HH2 ARG 8 -7.937 10.461 5.723 54 1HH2 ARG 8 2HH1 ARG 8 -4.518 9.880 6.647 55 2HH2 ARG 8 1HH1 ARG 8 -5.671 11.146 6.353 56 H LYS 9 H LYS 9 -5.743 1.990 6.674 57 HA LYS 9 HA LYS 9 -3.374 2.946 7.870 58 1HB LYS 9 1HB LYS 9 -5.121 1.675 9.011 59 2HB LYS 9 2HB LYS 9 -4.778 0.239 8.048 60 1HG LYS 9 1HG LYS 9 -2.537 0.086 9.035 61 2HG LYS 9 2HG LYS 9 -2.826 1.541 9.997 62 1HD LYS 9 1HD LYS 9 -4.647 -0.903 10.235 63 2HD LYS 9 2HD LYS 9 -3.088 -0.834 11.044 64 1HE LYS 9 1HE LYS 9 -4.509 -0.131 12.711 65 2HE LYS 9 2HE LYS 9 -3.837 1.385 12.097 66 1HZ LYS 9 1HZ LYS 9 -6.535 0.323 11.361 67 2HZ LYS 9 2HZ LYS 9 -6.243 1.498 12.460 68 3HZ LYS 9 3HZ LYS 9 -5.964 1.705 10.876 69 H ILE 10 H ILE 10 -3.832 0.161 5.653 70 HA ILE 10 HA ILE 10 -1.157 -0.745 5.640 71 HB ILE 10 HB ILE 10 -3.433 -1.009 3.656 72 1HG1 ILE 10 1HG1 ILE 10 -2.037 -3.102 5.376 73 2HG1 ILE 10 2HG1 ILE 10 -3.339 -2.138 6.015 74 1HG2 ILE 10 1HG2 ILE 10 -0.638 -2.194 3.511 75 2HG2 ILE 10 2HG2 ILE 10 -2.012 -2.893 2.633 76 3HG2 ILE 10 3HG2 ILE 10 -1.475 -1.261 2.258 77 1HD1 ILE 10 2HD1 ILE 10 -3.621 -3.930 3.566 78 2HD1 ILE 10 3HD1 ILE 10 -4.181 -4.300 5.191 79 3HD1 ILE 10 1HD1 ILE 10 -4.894 -2.946 4.294 80 H ILE 11 H ILE 11 -2.782 1.465 3.253 81 HA ILE 11 HA ILE 11 -0.342 1.955 1.846 82 HB ILE 11 HB ILE 11 -2.923 3.549 1.982 83 1HG1 ILE 11 1HG1 ILE 11 -3.338 1.469 0.835 84 2HG1 ILE 11 2HG1 ILE 11 -3.267 2.754 -0.357 85 1HG2 ILE 11 2HG2 ILE 11 -0.535 3.989 0.131 86 2HG2 ILE 11 3HG2 ILE 11 -2.124 4.770 0.004 87 3HG2 ILE 11 1HG2 ILE 11 -1.101 5.101 1.378 88 1HD1 ILE 11 2HD1 ILE 11 -0.983 2.036 -1.005 89 2HD1 ILE 11 3HD1 ILE 11 -1.073 0.711 0.185 90 3HD1 ILE 11 1HD1 ILE 11 -2.188 0.755 -1.185 91 H GLN 12 H GLN 12 -1.914 3.814 4.554 92 HA GLN 12 HA GLN 12 -0.155 5.997 4.405 93 1HB GLN 12 1HB GLN 12 -1.555 4.750 6.799 94 2HB GLN 12 2HB GLN 12 -0.627 6.241 6.924 95 1HG GLN 12 1HG GLN 12 -2.717 6.144 4.771 96 2HG GLN 12 2HG GLN 12 -3.267 6.160 6.440 97 1HE2 GLN 12 2HE2 GLN 12 -1.139 9.530 5.299 98 2HE2 GLN 12 1HE2 GLN 12 -0.730 8.086 4.454 99 H LYS 13 H LYS 13 0.346 2.877 6.233 100 HA LYS 13 HA LYS 13 2.858 3.961 7.134 101 1HB LYS 13 1HB LYS 13 1.562 2.227 8.411 102 2HB LYS 13 2HB LYS 13 2.145 1.021 7.261 103 1HG LYS 13 1HG LYS 13 3.430 1.220 9.455 104 2HG LYS 13 2HG LYS 13 4.420 1.301 7.998 105 1HD LYS 13 1HD LYS 13 4.710 3.656 8.187 106 2HD LYS 13 2HD LYS 13 3.462 3.813 9.432 107 1HE LYS 13 1HE LYS 13 4.896 2.727 11.061 108 2HE LYS 13 2HE LYS 13 6.093 2.334 9.800 109 1HZ LYS 13 3HZ LYS 13 5.372 5.158 10.317 110 2HZ LYS 13 1HZ LYS 13 6.630 4.427 11.136 111 3HZ LYS 13 2HZ LYS 13 6.552 4.632 9.498 112 H LEU 14 H LEU 14 1.922 2.283 4.206 113 HA LEU 14 HA LEU 14 4.628 1.537 3.443 114 1HB LEU 14 1HB LEU 14 2.627 0.502 2.397 115 2HB LEU 14 2HB LEU 14 2.133 2.060 1.763 116 HG LEU 14 HG LEU 14 4.035 2.189 0.274 117 1HD1 LEU 14 1HD1 LEU 14 4.984 -0.364 1.638 118 2HD1 LEU 14 2HD1 LEU 14 5.594 0.193 0.058 119 3HD1 LEU 14 3HD1 LEU 14 5.852 1.172 1.494 120 1HD2 LEU 14 2HD2 LEU 14 2.025 0.934 -0.417 121 2HD2 LEU 14 3HD2 LEU 14 3.487 0.289 -1.167 122 3HD2 LEU 14 1HD2 LEU 14 2.739 -0.570 0.202 123 H GLU 15 H GLU 15 2.482 4.286 2.834 124 HA GLU 15 HA GLU 15 4.137 5.780 1.119 125 1HB GLU 15 1HB GLU 15 1.609 5.830 1.546 126 2HB GLU 15 2HB GLU 15 1.922 6.540 3.123 127 1HG GLU 15 1HG GLU 15 2.761 8.588 1.955 128 2HG GLU 15 2HG GLU 15 2.362 7.813 0.412 129 H ASP 16 H ASP 16 3.648 5.928 4.641 130 HA ASP 16 HA ASP 16 5.589 7.857 5.353 131 1HB ASP 16 1HB ASP 16 3.959 7.110 6.942 132 2HB ASP 16 2HB ASP 16 4.292 5.423 6.602 133 H MET 17 H MET 17 5.931 4.290 4.995 134 HA MET 17 HA MET 17 8.675 4.391 5.816 135 1HB MET 17 1HB MET 17 6.935 2.227 4.583 136 2HB MET 17 2HB MET 17 8.679 2.005 4.787 137 1HG MET 17 1HG MET 17 8.543 2.452 7.160 138 2HG MET 17 2HG MET 17 6.826 2.784 7.057 139 1HE MET 17 1HE MET 17 9.020 -0.243 5.512 140 2HE MET 17 2HE MET 17 7.847 -1.555 5.784 141 3HE MET 17 3HE MET 17 7.430 -0.205 4.720 142 H VAL 18 H VAL 18 7.226 4.060 2.474 143 HA VAL 18 HA VAL 18 9.906 3.764 1.376 144 HB VAL 18 HB VAL 18 7.723 2.836 0.420 145 1HG1 VAL 18 2HG1 VAL 18 6.456 4.974 0.350 146 2HG1 VAL 18 3HG1 VAL 18 7.558 5.519 -0.921 147 3HG1 VAL 18 1HG1 VAL 18 6.543 4.091 -1.201 148 1HG2 VAL 18 1HG2 VAL 18 9.872 4.106 -1.265 149 2HG2 VAL 18 2HG2 VAL 18 9.716 2.442 -0.666 150 3HG2 VAL 18 3HG2 VAL 18 8.617 3.022 -1.918 151 H GLY 19 H GLY 19 7.726 6.405 2.201 152 1HA GLY 19 1HA GLY 19 8.256 8.579 2.562 153 2HA GLY 19 2HA GLY 19 9.806 8.390 1.715 154 HA PRO 20 HA PRO 20 6.655 10.360 -1.149 155 1HB PRO 20 1HB PRO 20 7.772 12.809 -1.543 156 2HB PRO 20 2HB PRO 20 6.816 12.449 -0.069 157 1HG PRO 20 1HG PRO 20 9.836 12.376 -0.399 158 2HG PRO 20 2HG PRO 20 8.884 13.175 0.895 159 1HD PRO 20 1HD PRO 20 9.972 10.656 1.131 160 2HD PRO 20 2HD PRO 20 8.421 11.127 1.942 161 H GLN 21 H GLN 21 6.987 10.891 -3.194 162 HA GLN 21 HA GLN 21 7.571 10.093 -5.332 163 1HB GLN 21 1HB GLN 21 9.954 11.854 -4.672 164 2HB GLN 21 2HB GLN 21 9.362 11.431 -6.289 165 1HG GLN 21 1HG GLN 21 7.163 12.528 -5.691 166 2HG GLN 21 2HG GLN 21 7.912 13.112 -4.199 167 1HE2 GLN 21 2HE2 GLN 21 10.245 15.071 -6.562 168 2HE2 GLN 21 1HE2 GLN 21 10.603 13.592 -5.677 169 HA PRO 22 HA PRO 22 10.719 6.885 -4.067 170 1HB PRO 22 1HB PRO 22 9.274 4.686 -3.705 171 2HB PRO 22 2HB PRO 22 9.204 6.016 -2.512 172 1HG PRO 22 1HG PRO 22 7.316 5.566 -4.859 173 2HG PRO 22 2HG PRO 22 6.891 5.662 -3.122 174 1HD PRO 22 1HD PRO 22 6.820 7.877 -4.737 175 2HD PRO 22 2HD PRO 22 7.355 7.974 -3.028 176 H ASN 23 H ASN 23 10.553 4.428 -5.261 177 HA ASN 23 HA ASN 23 9.978 4.761 -8.148 178 1HB ASN 23 1HB ASN 23 12.155 3.607 -8.534 179 2HB ASN 23 2HB ASN 23 12.370 5.163 -7.726 180 1HD2 ASN 23 2HD2 ASN 23 13.804 1.980 -5.815 181 2HD2 ASN 23 1HD2 ASN 23 13.537 1.924 -7.563 182 H GLU 24 H GLU 24 9.352 2.873 -9.118 183 HA GLU 24 HA GLU 24 7.592 1.237 -7.947 184 1HB GLU 24 1HB GLU 24 7.801 1.540 -10.311 185 2HB GLU 24 2HB GLU 24 9.351 0.715 -10.361 186 1HG GLU 24 1HG GLU 24 8.406 -1.381 -10.291 187 2HG GLU 24 2HG GLU 24 7.117 -0.896 -9.194 188 H ASP 25 H ASP 25 11.065 0.336 -8.174 189 HA ASP 25 HA ASP 25 10.736 -2.339 -7.194 190 1HB ASP 25 1HB ASP 25 12.844 -1.794 -8.189 191 2HB ASP 25 2HB ASP 25 13.101 -0.432 -7.084 192 H THR 26 H THR 26 11.893 0.593 -5.466 193 HA THR 26 HA THR 26 11.929 -0.603 -2.984 194 HB THR 26 HB THR 26 11.615 2.350 -3.628 195 HG1 THR 26 HG1 THR 26 13.720 0.434 -3.877 196 1HG2 THR 26 3HG2 THR 26 11.633 1.715 -1.168 197 2HG2 THR 26 1HG2 THR 26 13.216 0.975 -1.409 198 3HG2 THR 26 2HG2 THR 26 12.993 2.725 -1.668 199 H VAL 27 H VAL 27 9.200 0.991 -4.626 200 HA VAL 27 HA VAL 27 7.489 0.927 -2.286 201 HB VAL 27 HB VAL 27 6.723 0.823 -5.255 202 1HG1 VAL 27 2HG1 VAL 27 5.074 1.452 -2.764 203 2HG1 VAL 27 3HG1 VAL 27 4.540 1.760 -4.427 204 3HG1 VAL 27 1HG1 VAL 27 4.827 0.100 -3.894 205 1HG2 VAL 27 3HG2 VAL 27 7.979 2.908 -4.635 206 2HG2 VAL 27 1HG2 VAL 27 6.310 3.215 -5.107 207 3HG2 VAL 27 2HG2 VAL 27 6.764 3.228 -3.387 208 H THR 28 H THR 28 8.061 -1.401 -4.974 209 HA THR 28 HA THR 28 6.110 -3.295 -4.190 210 HB THR 28 HB THR 28 8.686 -3.586 -5.803 211 HG1 THR 28 HG1 THR 28 7.430 -2.196 -6.835 212 1HG2 THR 28 3HG2 THR 28 6.216 -5.343 -5.760 213 2HG2 THR 28 1HG2 THR 28 7.609 -5.510 -6.852 214 3HG2 THR 28 2HG2 THR 28 7.815 -5.806 -5.118 215 H GLN 29 H GLN 29 9.676 -3.172 -3.463 216 HA GLN 29 HA GLN 29 9.491 -5.522 -1.807 217 1HB GLN 29 1HB GLN 29 11.724 -4.880 -0.943 218 2HB GLN 29 2HB GLN 29 11.622 -5.135 -2.680 219 1HG GLN 29 1HG GLN 29 11.940 -2.895 -3.195 220 2HG GLN 29 2HG GLN 29 11.501 -2.329 -1.573 221 1HE2 GLN 29 2HE2 GLN 29 15.362 -2.857 -2.359 222 2HE2 GLN 29 1HE2 GLN 29 14.151 -2.645 -3.608 223 H ALA 30 H ALA 30 9.537 -1.952 -0.965 224 HA ALA 30 HA ALA 30 9.566 -2.388 1.808 225 1HB ALA 30 2HB ALA 30 10.006 -0.176 0.799 226 2HB ALA 30 3HB ALA 30 8.296 -0.055 0.308 227 3HB ALA 30 1HB ALA 30 8.731 -0.085 2.026 228 H ALA 31 H ALA 31 6.833 -2.338 -0.477 229 HA ALA 31 HA ALA 31 4.749 -2.509 1.474 230 1HB ALA 31 2HB ALA 31 4.386 -1.902 -0.934 231 2HB ALA 31 3HB ALA 31 4.850 -3.537 -1.425 232 3HB ALA 31 1HB ALA 31 3.388 -3.286 -0.458 233 H SER 32 H SER 32 6.575 -5.116 -0.325 234 HA SER 32 HA SER 32 5.043 -7.245 0.814 235 1HB SER 32 1HB SER 32 6.747 -8.704 0.072 236 2HB SER 32 2HB SER 32 6.675 -7.399 -1.117 237 HG SER 32 HG SER 32 8.538 -6.469 0.096 238 H GLN 33 H GLN 33 7.699 -5.355 2.198 239 HA GLN 33 HA GLN 33 7.589 -6.913 4.689 240 1HB GLN 33 1HB GLN 33 9.188 -4.512 3.764 241 2HB GLN 33 2HB GLN 33 9.117 -4.962 5.467 242 1HG GLN 33 1HG GLN 33 11.105 -5.908 4.430 243 2HG GLN 33 2HG GLN 33 10.029 -7.180 5.005 244 1HE2 GLN 33 2HE2 GLN 33 9.412 -8.385 1.694 245 2HE2 GLN 33 1HE2 GLN 33 9.055 -8.650 3.410 246 H VAL 34 H VAL 34 6.141 -3.837 3.475 247 HA VAL 34 HA VAL 34 5.549 -2.693 5.928 248 HB VAL 34 HB VAL 34 5.067 -1.798 3.540 249 1HG1 VAL 34 2HG1 VAL 34 3.105 -3.423 2.953 250 2HG1 VAL 34 3HG1 VAL 34 2.178 -2.447 4.061 251 3HG1 VAL 34 1HG1 VAL 34 2.917 -1.711 2.637 252 1HG2 VAL 34 3HG2 VAL 34 3.383 -1.143 5.911 253 2HG2 VAL 34 1HG2 VAL 34 4.922 -0.397 5.344 254 3HG2 VAL 34 2HG2 VAL 34 3.435 -0.201 4.410 255 H CYS 35 H CYS 35 3.859 -5.118 4.030 256 HA CYS 35 HA CYS 35 1.616 -5.516 5.743 257 1HB CYS 35 1HB CYS 35 3.031 -7.462 3.836 258 2HB CYS 35 2HB CYS 35 1.404 -7.634 4.513 259 H ASP 36 H ASP 36 4.726 -7.353 5.377 260 HA ASP 36 HA ASP 36 4.032 -9.265 7.365 261 1HB ASP 36 1HB ASP 36 5.921 -9.383 5.634 262 2HB ASP 36 2HB ASP 36 6.879 -8.432 6.800 263 H LYS 37 H LYS 37 5.562 -6.167 7.637 264 HA LYS 37 HA LYS 37 6.342 -6.213 10.362 265 1HB LYS 37 1HB LYS 37 7.326 -4.986 8.444 266 2HB LYS 37 2HB LYS 37 5.903 -3.940 8.371 267 1HG LYS 37 1HG LYS 37 6.556 -2.915 10.513 268 2HG LYS 37 2HG LYS 37 7.925 -4.053 10.649 269 1HD LYS 37 1HD LYS 37 8.816 -3.227 8.465 270 2HD LYS 37 2HD LYS 37 7.464 -2.094 8.352 271 1HE LYS 37 1HE LYS 37 8.288 -0.935 10.397 272 2HE LYS 37 2HE LYS 37 9.641 -2.075 10.485 273 1HZ LYS 37 2HZ LYS 37 9.140 -0.202 8.244 274 2HZ LYS 37 3HZ LYS 37 10.283 -0.006 9.406 275 3HZ LYS 37 1HZ LYS 37 10.407 -1.246 8.346 276 H LEU 38 H LEU 38 3.405 -4.979 8.709 277 HA LEU 38 HA LEU 38 2.385 -3.589 11.053 278 1HB LEU 38 1HB LEU 38 1.198 -4.500 8.404 279 2HB LEU 38 2HB LEU 38 0.169 -3.837 9.661 280 HG LEU 38 HG LEU 38 2.542 -2.274 8.564 281 1HD1 LEU 38 2HD1 LEU 38 -0.379 -2.203 7.659 282 2HD1 LEU 38 3HD1 LEU 38 0.907 -1.096 7.126 283 3HD1 LEU 38 1HD1 LEU 38 0.997 -2.808 6.708 284 1HD2 LEU 38 2HD2 LEU 38 0.028 -1.427 10.071 285 2HD2 LEU 38 3HD2 LEU 38 1.683 -1.466 10.724 286 3HD2 LEU 38 1HD2 LEU 38 1.271 -0.338 9.431 287 H LYS 39 H LYS 39 2.155 -4.888 12.828 288 HA LYS 39 HA LYS 39 1.230 -7.633 12.566 289 1HB LYS 39 1HB LYS 39 1.345 -7.718 15.026 290 2HB LYS 39 2HB LYS 39 2.819 -7.043 14.338 291 1HG LYS 39 1HG LYS 39 2.163 -4.777 15.001 292 2HG LYS 39 2HG LYS 39 0.567 -5.341 15.492 293 1HD LYS 39 1HD LYS 39 1.834 -4.980 17.465 294 2HD LYS 39 2HD LYS 39 1.599 -6.721 17.290 295 1HE LYS 39 1HE LYS 39 3.917 -6.951 16.422 296 2HE LYS 39 2HE LYS 39 4.136 -5.199 16.510 297 1HZ LYS 39 1HZ LYS 39 3.880 -5.343 18.913 298 2HZ LYS 39 2HZ LYS 39 3.674 -6.973 18.841 299 3HZ LYS 39 3HZ LYS 39 5.108 -6.305 18.414 300 H ILE 40 H ILE 40 -0.667 -8.427 13.891 301 HA ILE 40 HA ILE 40 -2.863 -8.647 14.201 302 HB ILE 40 HB ILE 40 -3.022 -5.606 14.305 303 1HG1 ILE 40 1HG1 ILE 40 -3.068 -7.653 16.568 304 2HG1 ILE 40 2HG1 ILE 40 -1.631 -6.751 16.092 305 1HG2 ILE 40 2HG2 ILE 40 -5.205 -6.575 13.657 306 2HG2 ILE 40 3HG2 ILE 40 -5.143 -7.655 15.063 307 3HG2 ILE 40 1HG2 ILE 40 -5.253 -5.896 15.268 308 1HD1 ILE 40 1HD1 ILE 40 -2.815 -4.607 16.575 309 2HD1 ILE 40 2HD1 ILE 40 -4.176 -5.553 17.230 310 3HD1 ILE 40 3HD1 ILE 40 -2.581 -5.655 17.988 311 H LEU 41 H LEU 41 -2.626 -5.807 12.037 312 HA LEU 41 HA LEU 41 -4.650 -6.930 10.269 313 1HB LEU 41 1HB LEU 41 -4.380 -4.573 11.213 314 2HB LEU 41 2HB LEU 41 -3.063 -4.326 10.095 315 HG LEU 41 HG LEU 41 -5.502 -3.442 9.722 316 1HD1 LEU 41 3HD1 LEU 41 -3.671 -3.032 8.199 317 2HD1 LEU 41 1HD1 LEU 41 -3.966 -4.580 7.392 318 3HD1 LEU 41 2HD1 LEU 41 -5.192 -3.300 7.342 319 1HD2 LEU 41 2HD2 LEU 41 -6.655 -5.601 9.891 320 2HD2 LEU 41 3HD2 LEU 41 -6.966 -4.789 8.358 321 3HD2 LEU 41 1HD2 LEU 41 -5.834 -6.158 8.414 322 H ARG 42 H ARG 42 -1.791 -7.969 10.525 323 HA ARG 42 HA ARG 42 -0.144 -7.604 8.344 324 1HB ARG 42 1HB ARG 42 0.082 -8.886 10.629 325 2HB ARG 42 2HB ARG 42 -0.563 -10.273 9.780 326 1HG ARG 42 1HG ARG 42 1.446 -10.068 8.186 327 2HG ARG 42 2HG ARG 42 2.045 -8.811 9.293 328 1HD ARG 42 1HD ARG 42 1.819 -10.503 11.184 329 2HD ARG 42 2HD ARG 42 1.514 -11.733 9.945 330 HE ARG 42 HE ARG 42 4.003 -10.125 9.746 331 1HH1 ARG 42 2HH2 ARG 42 2.623 -13.144 11.033 332 2HH1 ARG 42 1HH2 ARG 42 4.159 -13.928 11.151 333 1HH2 ARG 42 2HH1 ARG 42 5.998 -11.291 9.697 334 2HH2 ARG 42 1HH1 ARG 42 6.132 -12.821 10.431 335 H GLY 43 H GLY 43 -2.688 -10.119 8.730 336 1HA GLY 43 1HA GLY 43 -2.203 -11.502 6.314 337 2HA GLY 43 2HA GLY 43 -3.719 -11.520 7.223 338 H LEU 44 H LEU 44 -4.332 -8.648 6.935 339 HA LEU 44 HA LEU 44 -5.761 -8.959 4.473 340 1HB LEU 44 1HB LEU 44 -6.485 -7.738 6.572 341 2HB LEU 44 2HB LEU 44 -5.475 -6.381 6.071 342 HG LEU 44 HG LEU 44 -7.480 -7.530 4.100 343 1HD1 LEU 44 3HD1 LEU 44 -8.229 -5.730 6.440 344 2HD1 LEU 44 1HD1 LEU 44 -9.264 -6.067 5.039 345 3HD1 LEU 44 2HD1 LEU 44 -8.806 -7.376 6.131 346 1HD2 LEU 44 2HD2 LEU 44 -5.968 -5.665 3.417 347 2HD2 LEU 44 3HD2 LEU 44 -7.670 -5.203 3.369 348 3HD2 LEU 44 1HD2 LEU 44 -6.640 -4.664 4.708 349 H CYS 45 H CYS 45 -2.998 -6.777 5.420 350 HA CYS 45 HA CYS 45 -2.504 -5.686 2.951 351 1HB CYS 45 1HB CYS 45 -1.530 -5.144 5.189 352 2HB CYS 45 2HB CYS 45 -0.499 -6.548 5.053 353 H LYS 46 H LYS 46 -1.303 -8.930 4.140 354 HA LYS 46 HA LYS 46 0.182 -9.541 1.783 355 1HB LYS 46 1HB LYS 46 -1.292 -11.338 3.703 356 2HB LYS 46 2HB LYS 46 -0.624 -11.997 2.237 357 1HG LYS 46 1HG LYS 46 0.668 -12.254 4.415 358 2HG LYS 46 2HG LYS 46 1.543 -11.858 2.941 359 1HD LYS 46 1HD LYS 46 2.028 -9.669 3.639 360 2HD LYS 46 2HD LYS 46 0.777 -9.713 4.885 361 1HE LYS 46 1HE LYS 46 2.752 -9.853 6.087 362 2HE LYS 46 2HE LYS 46 2.092 -11.482 6.106 363 1HZ LYS 46 3HZ LYS 46 4.345 -10.550 4.413 364 2HZ LYS 46 1HZ LYS 46 4.464 -11.446 5.765 365 3HZ LYS 46 2HZ LYS 46 3.753 -12.098 4.440 366 H LYS 47 H LYS 47 -3.406 -9.957 2.296 367 HA LYS 47 HA LYS 47 -3.720 -10.969 -0.391 368 1HB LYS 47 1HB LYS 47 -5.601 -11.319 1.076 369 2HB LYS 47 2HB LYS 47 -5.807 -9.574 1.342 370 1HG LYS 47 1HG LYS 47 -6.438 -9.198 -0.963 371 2HG LYS 47 2HG LYS 47 -5.951 -10.832 -1.438 372 1HD LYS 47 1HD LYS 47 -7.866 -11.802 -0.364 373 2HD LYS 47 2HD LYS 47 -8.246 -10.287 0.459 374 1HE LYS 47 1HE LYS 47 -9.772 -10.650 -1.419 375 2HE LYS 47 2HE LYS 47 -8.821 -9.182 -1.636 376 1HZ LYS 47 2HZ LYS 47 -8.186 -11.742 -2.986 377 2HZ LYS 47 3HZ LYS 47 -9.078 -10.543 -3.651 378 3HZ LYS 47 1HZ LYS 47 -7.524 -10.258 -3.319 379 H ILE 48 H ILE 48 -3.874 -7.580 0.890 380 HA ILE 48 HA ILE 48 -4.783 -6.426 -1.523 381 HB ILE 48 HB ILE 48 -3.061 -5.331 0.721 382 1HG1 ILE 48 1HG1 ILE 48 -5.427 -5.935 1.235 383 2HG1 ILE 48 2HG1 ILE 48 -5.020 -4.250 1.521 384 1HG2 ILE 48 3HG2 ILE 48 -4.124 -3.758 -1.648 385 2HG2 ILE 48 1HG2 ILE 48 -3.588 -3.027 -0.117 386 3HG2 ILE 48 2HG2 ILE 48 -2.444 -3.927 -1.111 387 1HD1 ILE 48 1HD1 ILE 48 -6.587 -5.294 -0.878 388 2HD1 ILE 48 2HD1 ILE 48 -7.263 -4.508 0.557 389 3HD1 ILE 48 3HD1 ILE 48 -6.221 -3.586 -0.533 390 H MET 49 H MET 49 -1.405 -7.042 -0.458 391 HA MET 49 HA MET 49 -0.300 -6.039 -2.920 392 1HB MET 49 1HB MET 49 0.956 -7.995 -0.952 393 2HB MET 49 2HB MET 49 1.791 -7.087 -2.221 394 1HG MET 49 1HG MET 49 0.397 -6.009 0.233 395 2HG MET 49 2HG MET 49 2.118 -5.921 -0.135 396 1HE MET 49 2HE MET 49 1.520 -3.434 0.915 397 2HE MET 49 3HE MET 49 0.542 -2.229 0.052 398 3HE MET 49 1HE MET 49 -0.242 -3.638 0.798 399 H ARG 50 H ARG 50 -0.860 -9.519 -1.907 400 HA ARG 50 HA ARG 50 0.139 -10.528 -4.363 401 1HB ARG 50 1HB ARG 50 -0.467 -11.704 -2.141 402 2HB ARG 50 2HB ARG 50 -2.097 -11.839 -2.754 403 1HG ARG 50 1HG ARG 50 0.382 -13.029 -4.100 404 2HG ARG 50 2HG ARG 50 -0.638 -13.861 -2.949 405 1HD ARG 50 1HD ARG 50 -1.586 -14.744 -4.766 406 2HD ARG 50 2HD ARG 50 -2.568 -13.288 -4.709 407 HE ARG 50 HE ARG 50 -1.291 -12.318 -6.443 408 1HH1 ARG 50 2HH2 ARG 50 -0.401 -15.746 -5.983 409 2HH1 ARG 50 1HH2 ARG 50 0.252 -15.931 -7.564 410 1HH2 ARG 50 2HH1 ARG 50 -0.432 -12.573 -8.531 411 2HH2 ARG 50 1HH1 ARG 50 0.243 -14.068 -9.054 412 H SER 51 H SER 51 -3.042 -9.325 -3.528 413 HA SER 51 HA SER 51 -4.367 -10.217 -5.952 414 1HB SER 51 1HB SER 51 -5.292 -9.908 -3.571 415 2HB SER 51 2HB SER 51 -5.319 -8.170 -3.907 416 HG SER 51 HG SER 51 -6.720 -8.732 -5.684 417 H PHE 52 H PHE 52 -2.819 -7.080 -4.895 418 HA PHE 52 HA PHE 52 -3.424 -6.005 -7.608 419 1HB PHE 52 1HB PHE 52 -3.782 -4.422 -5.049 420 2HB PHE 52 2HB PHE 52 -4.315 -4.001 -6.662 421 HD1 PHE 52 HD1 PHE 52 -6.094 -5.794 -7.717 422 HD2 PHE 52 HD2 PHE 52 -5.431 -4.988 -3.534 423 HE1 PHE 52 HE1 PHE 52 -8.408 -6.515 -7.211 424 HE2 PHE 52 HE2 PHE 52 -7.759 -5.700 -3.033 425 HZ PHE 52 HZ PHE 52 -9.253 -6.457 -4.875 426 H LEU 53 H LEU 53 -0.791 -6.922 -6.427 427 HA LEU 53 HA LEU 53 0.704 -4.934 -5.411 428 1HB LEU 53 1HB LEU 53 1.426 -7.305 -5.757 429 2HB LEU 53 2HB LEU 53 1.779 -6.946 -7.433 430 HG LEU 53 HG LEU 53 3.618 -5.512 -6.818 431 1HD1 LEU 53 1HD1 LEU 53 2.653 -5.772 -3.927 432 2HD1 LEU 53 2HD1 LEU 53 4.247 -5.146 -4.394 433 3HD1 LEU 53 3HD1 LEU 53 2.801 -4.280 -4.886 434 1HD2 LEU 53 3HD2 LEU 53 3.980 -7.966 -6.741 435 2HD2 LEU 53 1HD2 LEU 53 5.000 -7.158 -5.550 436 3HD2 LEU 53 2HD2 LEU 53 3.536 -7.988 -5.016 437 H ARG 54 H ARG 54 0.692 -5.556 -8.955 438 HA ARG 54 HA ARG 54 2.211 -3.342 -9.737 439 1HB ARG 54 1HB ARG 54 1.352 -5.256 -11.201 440 2HB ARG 54 2HB ARG 54 -0.217 -4.453 -11.219 441 1HG ARG 54 1HG ARG 54 0.821 -3.856 -13.260 442 2HG ARG 54 2HG ARG 54 0.962 -2.420 -12.250 443 1HD ARG 54 1HD ARG 54 3.313 -3.368 -11.610 444 2HD ARG 54 2HD ARG 54 3.103 -4.450 -13.000 445 HE ARG 54 HE ARG 54 2.569 -1.801 -13.848 446 1HH1 ARG 54 2HH2 ARG 54 5.414 -3.693 -12.701 447 2HH1 ARG 54 1HH2 ARG 54 6.432 -2.290 -12.934 448 1HH2 ARG 54 2HH1 ARG 54 4.191 -0.098 -14.271 449 2HH2 ARG 54 1HH1 ARG 54 5.784 -0.457 -13.682 450 H ARG 55 H ARG 55 -1.244 -3.246 -8.599 451 HA ARG 55 HA ARG 55 -1.575 -0.575 -9.633 452 1HB ARG 55 1HB ARG 55 -3.163 -2.376 -7.773 453 2HB ARG 55 2HB ARG 55 -3.555 -0.716 -7.948 454 1HG ARG 55 1HG ARG 55 -3.480 -2.653 -10.275 455 2HG ARG 55 2HG ARG 55 -4.905 -2.427 -9.288 456 1HD ARG 55 1HD ARG 55 -3.790 0.030 -10.621 457 2HD ARG 55 2HD ARG 55 -4.525 -1.191 -11.648 458 HE ARG 55 HE ARG 55 -6.442 -0.933 -9.786 459 1HH1 ARG 55 2HH2 ARG 55 -4.865 1.599 -11.757 460 2HH1 ARG 55 1HH2 ARG 55 -6.197 2.688 -11.539 461 1HH2 ARG 55 2HH1 ARG 55 -8.236 0.646 -9.607 462 2HH2 ARG 55 1HH1 ARG 55 -7.934 2.222 -10.142 463 H ILE 56 H ILE 56 -0.791 -2.117 -6.401 464 HA ILE 56 HA ILE 56 -0.866 0.332 -5.001 465 HB ILE 56 HB ILE 56 0.859 -2.077 -4.339 466 1HG1 ILE 56 1HG1 ILE 56 -1.269 -3.016 -4.381 467 2HG1 ILE 56 2HG1 ILE 56 -1.110 -2.539 -2.717 468 1HG2 ILE 56 2HG2 ILE 56 -0.150 0.227 -2.620 469 2HG2 ILE 56 3HG2 ILE 56 0.624 -1.247 -1.990 470 3HG2 ILE 56 1HG2 ILE 56 1.533 -0.154 -3.017 471 1HD1 ILE 56 1HD1 ILE 56 -2.468 -0.449 -3.260 472 2HD1 ILE 56 2HD1 ILE 56 -2.764 -1.149 -4.865 473 3HD1 ILE 56 3HD1 ILE 56 -3.335 -1.993 -3.427 474 H SER 57 H SER 57 1.752 -0.910 -7.075 475 HA SER 57 HA SER 57 3.627 1.084 -6.209 476 1HB SER 57 1HB SER 57 4.346 -0.936 -7.461 477 2HB SER 57 2HB SER 57 3.312 -0.488 -8.832 478 HG SER 57 HG SER 57 5.172 0.248 -9.484 479 H TRP 58 H TRP 58 1.504 1.014 -9.155 480 HA TRP 58 HA TRP 58 1.851 3.623 -10.056 481 1HB TRP 58 1HB TRP 58 0.402 2.638 -11.487 482 2HB TRP 58 2HB TRP 58 -0.301 1.612 -10.256 483 HD1 TRP 58 HD1 TRP 58 -0.631 5.297 -11.415 484 HE1 TRP 58 HE1 TRP 58 -2.962 6.144 -10.921 485 HE3 TRP 58 HE3 TRP 58 -2.452 1.199 -9.089 486 HZ2 TRP 58 HZ2 TRP 58 -5.403 5.104 -9.531 487 HZ3 TRP 58 HZ3 TRP 58 -4.598 1.167 -8.017 488 HH2 TRP 58 HH2 TRP 58 -6.152 3.017 -8.215 489 H ASP 59 H ASP 59 -0.275 2.517 -7.454 490 HA ASP 59 HA ASP 59 -1.552 4.931 -6.854 491 1HB ASP 59 1HB ASP 59 -0.816 2.545 -5.083 492 2HB ASP 59 2HB ASP 59 -1.638 3.923 -4.445 493 HD1 ASP 59 HD2 ASP 59 -4.114 3.298 -7.132 494 H ILE 60 H ILE 60 1.473 3.689 -5.242 495 HA ILE 60 HA ILE 60 1.749 6.103 -3.732 496 HB ILE 60 HB ILE 60 4.032 4.224 -4.390 497 1HG1 ILE 60 1HG1 ILE 60 2.744 2.647 -3.339 498 2HG1 ILE 60 2HG1 ILE 60 3.460 3.409 -1.935 499 1HG2 ILE 60 1HG2 ILE 60 4.602 6.419 -3.366 500 2HG2 ILE 60 2HG2 ILE 60 3.422 6.140 -2.074 501 3HG2 ILE 60 3HG2 ILE 60 4.859 5.122 -2.208 502 1HD1 ILE 60 1HD1 ILE 60 1.282 4.722 -1.730 503 2HD1 ILE 60 2HD1 ILE 60 0.625 3.581 -2.945 504 3HD1 ILE 60 3HD1 ILE 60 1.238 2.963 -1.418 505 H LEU 61 H LEU 61 3.199 4.965 -6.807 506 HA LEU 61 HA LEU 61 5.002 7.081 -7.203 507 1HB LEU 61 1HB LEU 61 3.525 5.342 -9.214 508 2HB LEU 61 2HB LEU 61 4.842 6.426 -9.651 509 HG LEU 61 HG LEU 61 5.168 4.160 -7.637 510 1HD1 LEU 61 3HD1 LEU 61 4.548 3.270 -9.857 511 2HD1 LEU 61 1HD1 LEU 61 5.852 4.220 -10.611 512 3HD1 LEU 61 2HD1 LEU 61 6.225 2.916 -9.462 513 1HD2 LEU 61 1HD2 LEU 61 6.881 5.940 -7.437 514 2HD2 LEU 61 2HD2 LEU 61 7.553 4.435 -8.047 515 3HD2 LEU 61 3HD2 LEU 61 7.249 5.782 -9.164 516 H THR 62 H THR 62 1.561 6.918 -8.173 517 HA THR 62 HA THR 62 1.721 9.587 -9.412 518 HB THR 62 HB THR 62 -0.757 9.321 -9.676 519 HG1 THR 62 HG1 THR 62 -0.254 6.689 -8.718 520 1HG2 THR 62 3HG2 THR 62 0.847 8.707 -11.441 521 2HG2 THR 62 1HG2 THR 62 0.937 7.056 -10.801 522 3HG2 THR 62 2HG2 THR 62 -0.594 7.684 -11.466 523 H GLY 63 H GLY 63 2.245 8.960 -6.411 524 1HA GLY 63 1HA GLY 63 1.787 9.682 -4.336 525 2HA GLY 63 2HA GLY 63 1.706 11.270 -5.125 526 H LYS 64 H LYS 64 -0.530 8.391 -5.295 527 HA LYS 64 HA LYS 64 -2.716 10.367 -5.094 528 1HB LYS 64 1HB LYS 64 -2.709 8.433 -6.678 529 2HB LYS 64 2HB LYS 64 -2.635 7.314 -5.332 530 1HG LYS 64 1HG LYS 64 -4.849 7.133 -5.517 531 2HG LYS 64 2HG LYS 64 -4.953 8.700 -4.736 532 1HD LYS 64 1HD LYS 64 -6.375 8.650 -6.663 533 2HD LYS 64 2HD LYS 64 -5.044 9.771 -7.011 534 1HE LYS 64 1HE LYS 64 -3.990 8.231 -8.495 535 2HE LYS 64 2HE LYS 64 -4.898 6.852 -7.857 536 1HZ LYS 64 1HZ LYS 64 -6.291 9.014 -9.304 537 2HZ LYS 64 2HZ LYS 64 -5.661 7.692 -10.062 538 3HZ LYS 64 3HZ LYS 64 -6.806 7.470 -8.971 539 H LYS 65 H LYS 65 -4.074 10.468 -3.306 540 HA LYS 65 HA LYS 65 -2.667 9.772 -0.844 541 1HB LYS 65 1HB LYS 65 -5.311 11.197 -1.286 542 2HB LYS 65 2HB LYS 65 -4.552 11.054 0.293 543 1HG LYS 65 1HG LYS 65 -3.108 12.322 -2.097 544 2HG LYS 65 2HG LYS 65 -4.175 13.217 -1.052 545 1HD LYS 65 1HD LYS 65 -1.826 13.586 -0.507 546 2HD LYS 65 2HD LYS 65 -2.770 12.981 0.836 547 1HE LYS 65 1HE LYS 65 -0.587 12.008 0.937 548 2HE LYS 65 2HE LYS 65 -1.743 10.746 0.610 549 1HZ LYS 65 1HZ LYS 65 -0.982 10.918 -1.792 550 2HZ LYS 65 2HZ LYS 65 0.248 11.867 -1.242 551 3HZ LYS 65 3HZ LYS 65 0.052 10.337 -0.651 552 HA PRO 66 HA PRO 66 -4.115 5.903 0.094 553 1HB PRO 66 1HB PRO 66 -4.813 5.934 2.788 554 2HB PRO 66 2HB PRO 66 -3.148 5.903 2.157 555 1HG PRO 66 1HG PRO 66 -4.739 8.331 3.012 556 2HG PRO 66 2HG PRO 66 -3.043 7.901 3.395 557 1HD PRO 66 1HD PRO 66 -3.501 9.636 1.467 558 2HD PRO 66 2HD PRO 66 -2.300 8.333 1.194 559 H GLN 67 H GLN 67 -6.387 8.233 1.580 560 HA GLN 67 HA GLN 67 -8.662 6.572 1.626 561 1HB GLN 67 1HB GLN 67 -8.149 9.006 2.592 562 2HB GLN 67 2HB GLN 67 -8.732 9.560 1.033 563 1HG GLN 67 1HG GLN 67 -10.595 9.670 2.482 564 2HG GLN 67 2HG GLN 67 -10.884 8.245 1.479 565 1HE2 GLN 67 2HE2 GLN 67 -11.503 6.512 4.534 566 2HE2 GLN 67 1HE2 GLN 67 -12.122 7.003 2.974 567 H ALA 68 H ALA 68 -7.266 8.497 -1.037 568 HA ALA 68 HA ALA 68 -9.544 8.025 -2.805 569 1HB ALA 68 1HB ALA 68 -6.781 9.222 -3.316 570 2HB ALA 68 2HB ALA 68 -8.136 9.194 -4.463 571 3HB ALA 68 3HB ALA 68 -8.275 10.126 -2.962 572 H ILE 69 H ILE 69 -6.261 6.620 -2.261 573 HA ILE 69 HA ILE 69 -6.177 4.936 -4.539 574 HB ILE 69 HB ILE 69 -5.032 4.649 -1.730 575 1HG1 ILE 69 1HG1 ILE 69 -3.648 5.139 -4.385 576 2HG1 ILE 69 2HG1 ILE 69 -4.205 6.432 -3.381 577 1HG2 ILE 69 2HG2 ILE 69 -4.825 2.719 -4.056 578 2HG2 ILE 69 3HG2 ILE 69 -3.593 2.777 -2.787 579 3HG2 ILE 69 1HG2 ILE 69 -5.254 2.378 -2.375 580 1HD1 ILE 69 2HD1 ILE 69 -2.238 4.387 -2.304 581 2HD1 ILE 69 3HD1 ILE 69 -1.756 5.844 -3.171 582 3HD1 ILE 69 1HD1 ILE 69 -2.669 5.993 -1.668 583 H CYS 70 H CYS 70 -7.385 4.138 -1.263 584 HA CYS 70 HA CYS 70 -8.595 1.611 -1.811 585 1HB CYS 70 1HB CYS 70 -9.525 3.850 0.083 586 2HB CYS 70 2HB CYS 70 -9.819 2.128 0.285 587 H VAL 71 H VAL 71 -10.014 4.964 -2.435 588 HA VAL 71 HA VAL 71 -12.537 3.714 -3.239 589 HB VAL 71 HB VAL 71 -11.390 6.478 -3.719 590 1HG1 VAL 71 2HG1 VAL 71 -14.177 5.422 -4.407 591 2HG1 VAL 71 3HG1 VAL 71 -13.678 7.124 -4.448 592 3HG1 VAL 71 1HG1 VAL 71 -12.957 5.967 -5.570 593 1HG2 VAL 71 2HG2 VAL 71 -12.068 5.893 -1.359 594 2HG2 VAL 71 3HG2 VAL 71 -13.089 7.145 -2.072 595 3HG2 VAL 71 1HG2 VAL 71 -13.688 5.483 -1.957 596 H ASP 72 H ASP 72 -9.672 4.915 -5.110 597 HA ASP 72 HA ASP 72 -10.590 4.409 -7.674 598 1HB ASP 72 1HB ASP 72 -8.594 5.726 -6.850 599 2HB ASP 72 2HB ASP 72 -7.707 4.215 -6.723 600 H ILE 73 H ILE 73 -8.676 2.167 -5.631 601 HA ILE 73 HA ILE 73 -9.038 0.011 -7.644 602 HB ILE 73 HB ILE 73 -7.735 -1.335 -5.866 603 1HG1 ILE 73 1HG1 ILE 73 -6.634 1.359 -5.120 604 2HG1 ILE 73 2HG1 ILE 73 -7.958 0.643 -4.169 605 1HG2 ILE 73 1HG2 ILE 73 -6.629 0.787 -7.619 606 2HG2 ILE 73 2HG2 ILE 73 -5.631 -0.491 -6.857 607 3HG2 ILE 73 3HG2 ILE 73 -6.923 -0.939 -7.979 608 1HD1 ILE 73 3HD1 ILE 73 -6.522 -1.399 -3.891 609 2HD1 ILE 73 1HD1 ILE 73 -5.199 -0.463 -4.625 610 3HD1 ILE 73 2HD1 ILE 73 -5.946 0.086 -3.096 611 H LYS 74 H LYS 74 -10.947 1.232 -5.419 612 HA LYS 74 HA LYS 74 -12.930 0.796 -4.633 613 1HB LYS 74 1HB LYS 74 -13.198 0.061 -7.002 614 2HB LYS 74 2HB LYS 74 -13.008 -1.624 -6.448 615 1HG LYS 74 1HG LYS 74 -14.824 -1.134 -4.761 616 2HG LYS 74 2HG LYS 74 -15.070 0.405 -5.527 617 1HD LYS 74 1HD LYS 74 -15.621 -2.334 -6.626 618 2HD LYS 74 2HD LYS 74 -16.769 -1.031 -6.399 619 1HE LYS 74 1HE LYS 74 -14.543 -1.068 -8.500 620 2HE LYS 74 2HE LYS 74 -16.235 -1.501 -8.787 621 1HZ LYS 74 1HZ LYS 74 -16.769 0.819 -7.992 622 2HZ LYS 74 2HZ LYS 74 -15.273 1.200 -8.000 623 3HZ LYS 74 3HZ LYS 74 -15.956 0.781 -9.442 624 H ILE 75 H ILE 75 -11.896 0.526 -2.721 625 HA ILE 75 HA ILE 75 -11.973 -2.190 -1.430 626 HB ILE 75 HB ILE 75 -10.326 0.299 -0.685 627 1HG1 ILE 75 1HG1 ILE 75 -9.581 -0.278 -2.959 628 2HG1 ILE 75 2HG1 ILE 75 -8.340 -0.501 -1.747 629 1HG2 ILE 75 1HG2 ILE 75 -10.249 -2.626 0.065 630 2HG2 ILE 75 2HG2 ILE 75 -8.803 -1.638 0.216 631 3HG2 ILE 75 3HG2 ILE 75 -10.263 -1.178 1.107 632 1HD1 ILE 75 2HD1 ILE 75 -10.004 -2.764 -2.755 633 2HD1 ILE 75 3HD1 ILE 75 -8.513 -2.188 -3.545 634 3HD1 ILE 75 1HD1 ILE 75 -8.434 -2.793 -1.864 635 H CYS 76 H CYS 76 -12.859 1.231 -1.313 636 HA CYS 76 HA CYS 76 -13.331 1.248 1.528 637 1HB CYS 76 1HB CYS 76 -12.299 3.111 0.175 638 2HB CYS 76 2HB CYS 76 -13.864 3.425 -0.530 639 H LYS 77 H LYS 77 -15.490 3.093 -0.273 640 HA LYS 77 HA LYS 77 -17.960 1.853 -0.370 641 1HB LYS 77 1HB LYS 77 -17.958 2.192 2.157 642 2HB LYS 77 2HB LYS 77 -17.536 3.876 1.909 643 1HG LYS 77 1HG LYS 77 -20.171 2.487 1.252 644 2HG LYS 77 2HG LYS 77 -19.887 3.810 2.389 645 1HD LYS 77 1HD LYS 77 -19.251 5.247 0.402 646 2HD LYS 77 2HD LYS 77 -19.786 3.870 -0.611 647 1HE LYS 77 1HE LYS 77 -22.083 4.267 0.088 648 2HE LYS 77 2HE LYS 77 -21.528 5.713 0.978 649 1HZ LYS 77 2HZ LYS 77 -20.481 6.419 -1.208 650 2HZ LYS 77 3HZ LYS 77 -21.077 5.197 -1.922 651 3HZ LYS 77 1HZ LYS 77 -22.146 6.327 -1.332 652 H GLU 78 H GLU 78 -17.434 2.682 -2.488 653 HA GLU 78 HA GLU 78 -16.610 5.433 -2.918 654 1HB GLU 78 1HB GLU 78 -18.265 3.741 -4.827 655 2HB GLU 78 2HB GLU 78 -17.052 4.956 -5.200 656 1HG GLU 78 1HG GLU 78 -15.261 3.332 -4.542 657 2HG GLU 78 2HG GLU 78 -16.492 2.150 -4.105 No H/Q in entry = 657 Start of MODEL 4 1 1H GLY 1 2H GLY 1 -15.670 -2.352 2.678 2 2H GLY 1 3H GLY 1 -16.549 -3.728 2.676 3 3H GLY 1 1H GLY 1 -17.279 -2.256 2.420 4 1HA GLY 1 1HA GLY 1 -17.037 -1.546 4.561 5 2HA GLY 1 2HA GLY 1 -17.693 -3.207 4.625 6 H TYR 2 H TYR 2 -15.921 -1.523 6.561 7 HA TYR 2 HA TYR 2 -14.126 -1.582 7.899 8 1HB TYR 2 1HB TYR 2 -14.854 -3.737 8.657 9 2HB TYR 2 2HB TYR 2 -14.144 -4.539 7.268 10 HD1 TYR 2 HD1 TYR 2 -12.447 -1.936 9.473 11 HD2 TYR 2 HD2 TYR 2 -12.728 -6.091 8.311 12 HE1 TYR 2 HE1 TYR 2 -10.448 -2.442 10.798 13 HE2 TYR 2 HE2 TYR 2 -10.731 -6.601 9.651 14 HH TYR 2 HH TYR 2 -9.327 -5.754 11.366 15 H PHE 3 H PHE 3 -13.385 -3.465 5.017 16 HA PHE 3 HA PHE 3 -10.840 -3.183 4.470 17 1HB PHE 3 1HB PHE 3 -13.286 -2.733 2.734 18 2HB PHE 3 2HB PHE 3 -11.688 -2.681 2.057 19 HD1 PHE 3 HD1 PHE 3 -10.049 -4.653 2.808 20 HD2 PHE 3 HD2 PHE 3 -14.344 -4.839 2.478 21 HE1 PHE 3 HE1 PHE 3 -9.928 -7.125 2.564 22 HE2 PHE 3 HE2 PHE 3 -14.227 -7.296 2.265 23 HZ PHE 3 HZ PHE 3 -12.028 -8.436 2.321 24 H CYS 4 H CYS 4 -13.046 -0.320 4.032 25 HA CYS 4 HA CYS 4 -11.128 1.260 2.823 26 1HB CYS 4 1HB CYS 4 -13.533 2.089 3.194 27 2HB CYS 4 2HB CYS 4 -13.177 2.223 4.902 28 H GLU 5 H GLU 5 -11.717 0.984 6.362 29 HA GLU 5 HA GLU 5 -9.844 2.990 7.180 30 1HB GLU 5 1HB GLU 5 -11.678 2.240 8.596 31 2HB GLU 5 2HB GLU 5 -11.122 0.576 8.575 32 1HG GLU 5 1HG GLU 5 -9.577 2.894 9.811 33 2HG GLU 5 2HG GLU 5 -10.674 1.840 10.703 34 H SER 6 H SER 6 -9.696 -0.597 7.281 35 HA SER 6 HA SER 6 -6.966 -0.562 7.969 36 1HB SER 6 1HB SER 6 -8.819 -2.712 6.999 37 2HB SER 6 2HB SER 6 -7.080 -3.043 7.168 38 HG SER 6 HG SER 6 -8.634 -1.771 9.216 39 H CYS 7 H CYS 7 -8.367 -0.626 4.685 40 HA CYS 7 HA CYS 7 -5.900 -1.033 3.288 41 1HB CYS 7 1HB CYS 7 -8.106 -1.258 2.298 42 2HB CYS 7 2HB CYS 7 -8.429 0.454 2.505 43 H ARG 8 H ARG 8 -7.631 1.957 4.390 44 HA ARG 8 HA ARG 8 -5.748 3.781 3.339 45 1HB ARG 8 1HB ARG 8 -8.008 4.424 4.291 46 2HB ARG 8 2HB ARG 8 -7.373 4.102 5.911 47 1HG ARG 8 1HG ARG 8 -5.480 5.791 5.253 48 2HG ARG 8 2HG ARG 8 -6.575 6.275 3.955 49 1HD ARG 8 1HD ARG 8 -8.250 6.963 5.582 50 2HD ARG 8 2HD ARG 8 -7.309 6.273 6.905 51 HE ARG 8 HE ARG 8 -5.439 7.871 6.128 52 1HH1 ARG 8 2HH2 ARG 8 -8.858 8.931 5.971 53 2HH1 ARG 8 1HH2 ARG 8 -8.489 10.490 6.602 54 1HH2 ARG 8 2HH1 ARG 8 -4.956 9.866 6.663 55 2HH2 ARG 8 1HH1 ARG 8 -6.147 11.101 6.935 56 H LYS 9 H LYS 9 -5.929 2.277 6.594 57 HA LYS 9 HA LYS 9 -3.557 3.281 7.713 58 1HB LYS 9 1HB LYS 9 -5.346 2.180 8.914 59 2HB LYS 9 2HB LYS 9 -5.081 0.683 8.040 60 1HG LYS 9 1HG LYS 9 -2.950 0.315 9.189 61 2HG LYS 9 2HG LYS 9 -3.079 1.907 9.964 62 1HD LYS 9 1HD LYS 9 -3.796 0.239 11.577 63 2HD LYS 9 2HD LYS 9 -5.193 1.187 11.069 64 1HE LYS 9 1HE LYS 9 -5.363 -0.839 9.259 65 2HE LYS 9 2HE LYS 9 -4.525 -1.707 10.547 66 1HZ LYS 9 1HZ LYS 9 -7.072 -0.218 10.802 67 2HZ LYS 9 2HZ LYS 9 -7.017 -1.802 10.602 68 3HZ LYS 9 3HZ LYS 9 -6.421 -1.116 12.002 69 H ILE 10 H ILE 10 -4.011 0.397 5.637 70 HA ILE 10 HA ILE 10 -1.356 -0.575 5.751 71 HB ILE 10 HB ILE 10 -3.685 -0.958 3.866 72 1HG1 ILE 10 1HG1 ILE 10 -2.117 -2.956 5.537 73 2HG1 ILE 10 2HG1 ILE 10 -3.407 -2.008 6.227 74 1HG2 ILE 10 2HG2 ILE 10 -0.898 -2.079 3.512 75 2HG2 ILE 10 3HG2 ILE 10 -2.337 -2.810 2.767 76 3HG2 ILE 10 1HG2 ILE 10 -1.860 -1.179 2.322 77 1HD1 ILE 10 2HD1 ILE 10 -3.807 -3.907 3.867 78 2HD1 ILE 10 3HD1 ILE 10 -4.198 -4.264 5.536 79 3HD1 ILE 10 1HD1 ILE 10 -5.064 -2.974 4.694 80 H ILE 11 H ILE 11 -2.846 1.584 3.195 81 HA ILE 11 HA ILE 11 -0.240 1.978 2.042 82 HB ILE 11 HB ILE 11 -2.805 3.443 1.553 83 1HG1 ILE 11 1HG1 ILE 11 -1.593 2.454 -0.833 84 2HG1 ILE 11 2HG1 ILE 11 -1.273 1.191 0.340 85 1HG2 ILE 11 1HG2 ILE 11 -0.041 4.039 0.382 86 2HG2 ILE 11 2HG2 ILE 11 -1.560 4.667 -0.260 87 3HG2 ILE 11 3HG2 ILE 11 -1.018 5.163 1.327 88 1HD1 ILE 11 3HD1 ILE 11 -3.986 2.398 -0.284 89 2HD1 ILE 11 1HD1 ILE 11 -3.359 0.839 -0.876 90 3HD1 ILE 11 2HD1 ILE 11 -3.668 1.065 0.864 91 H GLN 12 H GLN 12 -2.016 3.801 4.584 92 HA GLN 12 HA GLN 12 -0.406 6.096 4.597 93 1HB GLN 12 1HB GLN 12 -1.735 4.607 6.892 94 2HB GLN 12 2HB GLN 12 -0.868 6.105 7.164 95 1HG GLN 12 1HG GLN 12 -3.045 6.023 5.068 96 2HG GLN 12 2HG GLN 12 -3.468 6.077 6.774 97 1HE2 GLN 12 2HE2 GLN 12 -1.298 9.428 5.837 98 2HE2 GLN 12 1HE2 GLN 12 -0.531 7.880 5.756 99 H LYS 13 H LYS 13 0.254 2.994 6.398 100 HA LYS 13 HA LYS 13 2.725 4.108 7.387 101 1HB LYS 13 1HB LYS 13 1.208 2.292 8.410 102 2HB LYS 13 2HB LYS 13 2.018 1.173 7.327 103 1HG LYS 13 1HG LYS 13 3.213 2.791 9.596 104 2HG LYS 13 2HG LYS 13 2.893 1.089 9.574 105 1HD LYS 13 1HD LYS 13 5.083 0.917 9.366 106 2HD LYS 13 2HD LYS 13 4.734 1.070 7.656 107 1HE LYS 13 1HE LYS 13 6.672 2.437 8.361 108 2HE LYS 13 2HE LYS 13 5.396 3.458 7.728 109 1HZ LYS 13 3HZ LYS 13 6.017 3.202 10.612 110 2HZ LYS 13 1HZ LYS 13 6.375 4.428 9.534 111 3HZ LYS 13 2HZ LYS 13 4.890 4.222 9.851 112 H LEU 14 H LEU 14 1.787 2.435 4.401 113 HA LEU 14 HA LEU 14 4.425 1.640 3.527 114 1HB LEU 14 1HB LEU 14 2.473 0.723 2.382 115 2HB LEU 14 2HB LEU 14 1.909 2.324 1.964 116 HG LEU 14 HG LEU 14 3.762 2.697 0.428 117 1HD1 LEU 14 3HD1 LEU 14 4.667 -0.043 1.380 118 2HD1 LEU 14 1HD1 LEU 14 5.204 0.674 -0.164 119 3HD1 LEU 14 2HD1 LEU 14 5.597 1.458 1.361 120 1HD2 LEU 14 1HD2 LEU 14 2.281 0.066 0.044 121 2HD2 LEU 14 2HD2 LEU 14 1.692 1.694 -0.361 122 3HD2 LEU 14 3HD2 LEU 14 3.069 1.022 -1.237 123 H GLU 15 H GLU 15 2.437 4.575 2.872 124 HA GLU 15 HA GLU 15 4.310 5.878 1.197 125 1HB GLU 15 1HB GLU 15 1.865 6.319 1.444 126 2HB GLU 15 2HB GLU 15 2.149 7.054 3.022 127 1HG GLU 15 1HG GLU 15 3.303 8.910 2.047 128 2HG GLU 15 2HG GLU 15 3.543 8.055 0.519 129 H ASP 16 H ASP 16 3.729 6.067 4.671 130 HA ASP 16 HA ASP 16 5.820 7.723 5.553 131 1HB ASP 16 1HB ASP 16 3.936 7.225 6.893 132 2HB ASP 16 2HB ASP 16 4.054 5.513 6.565 133 H MET 17 H MET 17 5.947 4.154 4.905 134 HA MET 17 HA MET 17 8.707 4.019 5.865 135 1HB MET 17 1HB MET 17 7.052 2.047 4.213 136 2HB MET 17 2HB MET 17 8.782 1.846 4.498 137 1HG MET 17 1HG MET 17 8.051 2.237 7.024 138 2HG MET 17 2HG MET 17 6.541 1.560 6.396 139 1HE MET 17 2HE MET 17 6.549 -0.819 5.032 140 2HE MET 17 3HE MET 17 8.077 -0.572 4.152 141 3HE MET 17 1HE MET 17 7.856 -2.014 5.160 142 H VAL 18 H VAL 18 7.266 4.016 2.532 143 HA VAL 18 HA VAL 18 9.894 3.725 1.389 144 HB VAL 18 HB VAL 18 7.616 3.078 0.393 145 1HG1 VAL 18 2HG1 VAL 18 6.546 5.297 0.438 146 2HG1 VAL 18 3HG1 VAL 18 7.701 5.846 -0.790 147 3HG1 VAL 18 1HG1 VAL 18 6.574 4.535 -1.177 148 1HG2 VAL 18 2HG2 VAL 18 9.908 4.181 -1.205 149 2HG2 VAL 18 3HG2 VAL 18 9.566 2.520 -0.689 150 3HG2 VAL 18 1HG2 VAL 18 8.551 3.270 -1.924 151 H GLY 19 H GLY 19 7.905 6.519 2.304 152 1HA GLY 19 1HA GLY 19 8.614 8.597 2.821 153 2HA GLY 19 2HA GLY 19 10.249 8.203 2.255 154 HA PRO 20 HA PRO 20 8.208 10.994 -0.886 155 1HB PRO 20 1HB PRO 20 10.268 12.744 -1.287 156 2HB PRO 20 2HB PRO 20 9.194 12.861 0.142 157 1HG PRO 20 1HG PRO 20 11.915 11.528 -0.059 158 2HG PRO 20 2HG PRO 20 11.348 12.700 1.177 159 1HD PRO 20 1HD PRO 20 11.292 9.992 1.549 160 2HD PRO 20 2HD PRO 20 10.021 11.074 2.238 161 H GLN 21 H GLN 21 9.053 11.569 -2.959 162 HA GLN 21 HA GLN 21 9.188 10.370 -5.086 163 1HB GLN 21 1HB GLN 21 11.652 11.789 -4.103 164 2HB GLN 21 2HB GLN 21 11.633 11.091 -5.715 165 1HG GLN 21 1HG GLN 21 11.072 13.522 -5.613 166 2HG GLN 21 2HG GLN 21 9.981 12.486 -6.517 167 1HE2 GLN 21 2HE2 GLN 21 7.330 14.168 -4.929 168 2HE2 GLN 21 1HE2 GLN 21 8.085 13.704 -6.450 169 HA PRO 22 HA PRO 22 11.241 6.409 -3.863 170 1HB PRO 22 1HB PRO 22 9.221 4.680 -3.905 171 2HB PRO 22 2HB PRO 22 9.381 5.876 -2.585 172 1HG PRO 22 1HG PRO 22 7.671 6.155 -5.080 173 2HG PRO 22 2HG PRO 22 7.144 6.259 -3.365 174 1HD PRO 22 1HD PRO 22 7.857 8.495 -4.789 175 2HD PRO 22 2HD PRO 22 8.234 8.325 -3.046 176 H ASN 23 H ASN 23 10.642 4.150 -5.354 177 HA ASN 23 HA ASN 23 10.159 4.866 -8.149 178 1HB ASN 23 1HB ASN 23 12.028 3.628 -9.006 179 2HB ASN 23 2HB ASN 23 12.658 4.870 -7.924 180 1HD2 ASN 23 2HD2 ASN 23 13.984 2.489 -5.640 181 2HD2 ASN 23 1HD2 ASN 23 13.949 4.169 -6.154 182 H GLU 24 H GLU 24 9.432 3.045 -9.277 183 HA GLU 24 HA GLU 24 7.364 1.754 -8.132 184 1HB GLU 24 1HB GLU 24 7.918 2.207 -10.554 185 2HB GLU 24 2HB GLU 24 8.985 0.825 -10.523 186 1HG GLU 24 1HG GLU 24 5.972 0.806 -10.264 187 2HG GLU 24 2HG GLU 24 6.909 0.331 -11.655 188 H ASP 25 H ASP 25 10.712 0.346 -8.306 189 HA ASP 25 HA ASP 25 9.775 -2.238 -7.350 190 1HB ASP 25 1HB ASP 25 11.886 -2.237 -8.523 191 2HB ASP 25 2HB ASP 25 12.583 -1.080 -7.369 192 H THR 26 H THR 26 11.499 0.537 -5.874 193 HA THR 26 HA THR 26 11.623 -0.546 -3.289 194 HB THR 26 HB THR 26 11.468 2.397 -4.021 195 HG1 THR 26 HG1 THR 26 13.240 0.383 -4.558 196 1HG2 THR 26 3HG2 THR 26 11.451 1.940 -1.550 197 2HG2 THR 26 1HG2 THR 26 12.920 0.973 -1.730 198 3HG2 THR 26 2HG2 THR 26 12.943 2.717 -2.084 199 H VAL 27 H VAL 27 8.897 1.156 -4.833 200 HA VAL 27 HA VAL 27 7.323 1.224 -2.381 201 HB VAL 27 HB VAL 27 6.303 1.216 -5.251 202 1HG1 VAL 27 3HG1 VAL 27 5.055 2.039 -2.586 203 2HG1 VAL 27 1HG1 VAL 27 4.356 2.395 -4.173 204 3HG1 VAL 27 2HG1 VAL 27 4.521 0.716 -3.652 205 1HG2 VAL 27 3HG2 VAL 27 7.822 3.156 -4.866 206 2HG2 VAL 27 1HG2 VAL 27 6.155 3.642 -5.106 207 3HG2 VAL 27 2HG2 VAL 27 6.840 3.628 -3.465 208 H THR 28 H THR 28 7.568 -1.097 -5.144 209 HA THR 28 HA THR 28 5.565 -2.893 -4.295 210 HB THR 28 HB THR 28 7.930 -2.928 -6.170 211 HG1 THR 28 HG1 THR 28 6.326 -2.242 -7.330 212 1HG2 THR 28 1HG2 THR 28 7.855 -5.263 -5.330 213 2HG2 THR 28 2HG2 THR 28 6.123 -5.327 -5.758 214 3HG2 THR 28 3HG2 THR 28 7.359 -5.119 -7.010 215 H GLN 29 H GLN 29 9.132 -2.922 -3.592 216 HA GLN 29 HA GLN 29 8.857 -5.240 -1.886 217 1HB GLN 29 1HB GLN 29 11.093 -4.763 -1.059 218 2HB GLN 29 2HB GLN 29 10.973 -4.959 -2.803 219 1HG GLN 29 1HG GLN 29 11.351 -2.680 -3.222 220 2HG GLN 29 2HG GLN 29 11.111 -2.214 -1.525 221 1HE2 GLN 29 2HE2 GLN 29 14.797 -3.264 -2.775 222 2HE2 GLN 29 1HE2 GLN 29 13.471 -3.055 -3.908 223 H ALA 30 H ALA 30 8.985 -1.678 -1.164 224 HA ALA 30 HA ALA 30 8.890 -1.955 1.622 225 1HB ALA 30 2HB ALA 30 7.734 0.282 -0.087 226 2HB ALA 30 3HB ALA 30 8.020 0.359 1.663 227 3HB ALA 30 1HB ALA 30 9.390 0.183 0.557 228 H ALA 31 H ALA 31 6.210 -2.045 -0.721 229 HA ALA 31 HA ALA 31 4.113 -2.144 1.293 230 1HB ALA 31 1HB ALA 31 3.801 -1.326 -1.076 231 2HB ALA 31 2HB ALA 31 4.134 -2.946 -1.680 232 3HB ALA 31 3HB ALA 31 2.688 -2.653 -0.693 233 H SER 32 H SER 32 5.732 -4.711 -0.760 234 HA SER 32 HA SER 32 4.175 -6.833 0.461 235 1HB SER 32 1HB SER 32 6.049 -8.333 -0.328 236 2HB SER 32 2HB SER 32 5.210 -7.391 -1.571 237 HG SER 32 HG SER 32 6.935 -5.998 -1.697 238 H GLN 33 H GLN 33 6.851 -4.990 1.603 239 HA GLN 33 HA GLN 33 7.192 -6.507 4.058 240 1HB GLN 33 1HB GLN 33 8.310 -3.938 2.917 241 2HB GLN 33 2HB GLN 33 8.495 -4.257 4.619 242 1HG GLN 33 1HG GLN 33 9.350 -6.286 2.493 243 2HG GLN 33 2HG GLN 33 10.418 -4.988 3.076 244 1HE2 GLN 33 2HE2 GLN 33 9.866 -8.200 5.483 245 2HE2 GLN 33 1HE2 GLN 33 9.496 -8.192 3.767 246 H VAL 34 H VAL 34 5.425 -3.488 3.110 247 HA VAL 34 HA VAL 34 5.018 -2.508 5.651 248 HB VAL 34 HB VAL 34 4.319 -1.538 3.341 249 1HG1 VAL 34 3HG1 VAL 34 2.395 -3.231 2.850 250 2HG1 VAL 34 1HG1 VAL 34 1.510 -2.319 4.048 251 3HG1 VAL 34 2HG1 VAL 34 2.114 -1.518 2.593 252 1HG2 VAL 34 1HG2 VAL 34 2.861 -1.046 5.878 253 2HG2 VAL 34 2HG2 VAL 34 4.271 -0.190 5.148 254 3HG2 VAL 34 3HG2 VAL 34 2.658 -0.065 4.415 255 H CYS 35 H CYS 35 3.241 -4.919 3.840 256 HA CYS 35 HA CYS 35 1.203 -5.518 5.729 257 1HB CYS 35 1HB CYS 35 2.618 -7.317 3.691 258 2HB CYS 35 2HB CYS 35 1.020 -7.596 4.398 259 H ASP 36 H ASP 36 4.371 -7.062 5.030 260 HA ASP 36 HA ASP 36 4.078 -9.276 6.750 261 1HB ASP 36 1HB ASP 36 5.781 -8.711 4.857 262 2HB ASP 36 2HB ASP 36 6.706 -7.894 6.118 263 H LYS 37 H LYS 37 5.428 -6.099 7.221 264 HA LYS 37 HA LYS 37 6.331 -6.283 9.898 265 1HB LYS 37 1HB LYS 37 7.211 -4.989 7.961 266 2HB LYS 37 2HB LYS 37 5.811 -3.912 8.053 267 1HG LYS 37 1HG LYS 37 6.583 -2.977 10.114 268 2HG LYS 37 2HG LYS 37 7.830 -4.228 10.317 269 1HD LYS 37 1HD LYS 37 7.768 -2.500 7.816 270 2HD LYS 37 2HD LYS 37 8.480 -1.863 9.300 271 1HE LYS 37 1HE LYS 37 10.328 -3.101 9.157 272 2HE LYS 37 2HE LYS 37 9.467 -4.574 8.678 273 1HZ LYS 37 3HZ LYS 37 9.958 -2.418 6.734 274 2HZ LYS 37 1HZ LYS 37 11.096 -3.554 7.071 275 3HZ LYS 37 2HZ LYS 37 9.698 -4.054 6.472 276 H LEU 38 H LEU 38 3.262 -4.978 8.504 277 HA LEU 38 HA LEU 38 2.472 -3.646 10.962 278 1HB LEU 38 1HB LEU 38 1.020 -4.502 8.432 279 2HB LEU 38 2HB LEU 38 0.124 -3.863 9.793 280 HG LEU 38 HG LEU 38 2.367 -2.253 8.516 281 1HD1 LEU 38 1HD1 LEU 38 0.693 -2.814 6.768 282 2HD1 LEU 38 2HD1 LEU 38 -0.614 -2.229 7.824 283 3HD1 LEU 38 3HD1 LEU 38 0.615 -1.103 7.201 284 1HD2 LEU 38 1HD2 LEU 38 -0.053 -1.482 10.207 285 2HD2 LEU 38 2HD2 LEU 38 1.655 -1.446 10.714 286 3HD2 LEU 38 3HD2 LEU 38 1.076 -0.349 9.454 287 H LYS 39 H LYS 39 2.285 -4.929 12.752 288 HA LYS 39 HA LYS 39 1.549 -7.707 12.529 289 1HB LYS 39 1HB LYS 39 1.824 -7.782 14.966 290 2HB LYS 39 2HB LYS 39 3.142 -6.876 14.224 291 1HG LYS 39 1HG LYS 39 1.872 -4.737 14.826 292 2HG LYS 39 2HG LYS 39 0.762 -5.735 15.764 293 1HD LYS 39 1HD LYS 39 3.779 -5.558 16.214 294 2HD LYS 39 2HD LYS 39 2.567 -4.604 17.078 295 1HE LYS 39 1HE LYS 39 1.531 -6.712 17.937 296 2HE LYS 39 2HE LYS 39 2.813 -7.644 17.147 297 1HZ LYS 39 2HZ LYS 39 4.420 -6.492 18.556 298 2HZ LYS 39 3HZ LYS 39 3.222 -5.634 19.286 299 3HZ LYS 39 1HZ LYS 39 3.300 -7.258 19.476 300 H ILE 40 H ILE 40 -0.259 -8.725 13.685 301 HA ILE 40 HA ILE 40 -2.424 -9.159 14.033 302 HB ILE 40 HB ILE 40 -2.849 -6.164 14.402 303 1HG1 ILE 40 1HG1 ILE 40 -1.399 -7.039 16.141 304 2HG1 ILE 40 2HG1 ILE 40 -2.975 -6.606 16.776 305 1HG2 ILE 40 3HG2 ILE 40 -4.809 -8.436 14.847 306 2HG2 ILE 40 1HG2 ILE 40 -5.014 -6.774 15.442 307 3HG2 ILE 40 2HG2 ILE 40 -4.951 -7.083 13.714 308 1HD1 ILE 40 1HD1 ILE 40 -3.623 -9.018 16.819 309 2HD1 ILE 40 2HD1 ILE 40 -2.000 -9.445 16.221 310 3HD1 ILE 40 3HD1 ILE 40 -2.193 -8.670 17.800 311 H LEU 41 H LEU 41 -2.281 -6.161 12.106 312 HA LEU 41 HA LEU 41 -4.364 -7.121 10.344 313 1HB LEU 41 1HB LEU 41 -3.996 -4.839 11.408 314 2HB LEU 41 2HB LEU 41 -2.704 -4.561 10.268 315 HG LEU 41 HG LEU 41 -5.193 -3.659 10.033 316 1HD1 LEU 41 1HD1 LEU 41 -3.377 -3.020 8.589 317 2HD1 LEU 41 2HD1 LEU 41 -3.543 -4.514 7.659 318 3HD1 LEU 41 3HD1 LEU 41 -4.854 -3.307 7.660 319 1HD2 LEU 41 3HD2 LEU 41 -6.340 -5.790 9.976 320 2HD2 LEU 41 1HD2 LEU 41 -6.591 -4.900 8.477 321 3HD2 LEU 41 2HD2 LEU 41 -5.450 -6.260 8.513 322 H ARG 42 H ARG 42 -1.393 -8.131 10.402 323 HA ARG 42 HA ARG 42 -0.051 -7.732 8.028 324 1HB ARG 42 1HB ARG 42 0.887 -8.896 9.967 325 2HB ARG 42 2HB ARG 42 -0.285 -10.193 9.825 326 1HG ARG 42 1HG ARG 42 0.797 -10.999 7.773 327 2HG ARG 42 2HG ARG 42 1.947 -9.650 7.822 328 1HD ARG 42 1HD ARG 42 2.856 -10.427 9.955 329 2HD ARG 42 2HD ARG 42 1.621 -11.676 10.078 330 HE ARG 42 HE ARG 42 2.617 -12.916 8.323 331 1HH1 ARG 42 2HH2 ARG 42 4.731 -10.213 9.413 332 2HH1 ARG 42 1HH2 ARG 42 6.115 -10.867 8.663 333 1HH2 ARG 42 2HH1 ARG 42 4.627 -13.768 7.371 334 2HH2 ARG 42 1HH1 ARG 42 5.993 -12.701 7.399 335 H GLY 43 H GLY 43 -2.488 -10.277 8.735 336 1HA GLY 43 1HA GLY 43 -2.288 -11.696 6.326 337 2HA GLY 43 2HA GLY 43 -3.720 -11.654 7.364 338 H LEU 44 H LEU 44 -4.305 -8.774 7.046 339 HA LEU 44 HA LEU 44 -5.994 -9.100 4.756 340 1HB LEU 44 1HB LEU 44 -6.387 -7.788 6.966 341 2HB LEU 44 2HB LEU 44 -5.428 -6.504 6.240 342 HG LEU 44 HG LEU 44 -7.755 -6.023 6.072 343 1HD1 LEU 44 3HD1 LEU 44 -6.316 -5.373 4.131 344 2HD1 LEU 44 1HD1 LEU 44 -6.909 -6.827 3.280 345 3HD1 LEU 44 2HD1 LEU 44 -8.034 -5.545 3.753 346 1HD2 LEU 44 2HD2 LEU 44 -8.615 -8.354 6.189 347 2HD2 LEU 44 3HD2 LEU 44 -9.397 -7.382 4.945 348 3HD2 LEU 44 1HD2 LEU 44 -8.178 -8.589 4.482 349 H CYS 45 H CYS 45 -3.330 -6.692 5.475 350 HA CYS 45 HA CYS 45 -2.887 -5.769 2.988 351 1HB CYS 45 1HB CYS 45 -1.937 -5.090 5.200 352 2HB CYS 45 2HB CYS 45 -0.834 -6.441 5.110 353 H LYS 46 H LYS 46 -1.369 -8.847 4.279 354 HA LYS 46 HA LYS 46 0.192 -9.171 1.883 355 1HB LYS 46 1HB LYS 46 -0.808 -11.379 3.711 356 2HB LYS 46 2HB LYS 46 0.365 -11.599 2.422 357 1HG LYS 46 1HG LYS 46 0.782 -9.863 4.871 358 2HG LYS 46 2HG LYS 46 1.346 -11.504 4.719 359 1HD LYS 46 1HD LYS 46 2.312 -9.341 2.815 360 2HD LYS 46 2HD LYS 46 2.957 -9.531 4.447 361 1HE LYS 46 1HE LYS 46 3.398 -12.015 3.743 362 2HE LYS 46 2HE LYS 46 3.256 -11.380 2.096 363 1HZ LYS 46 3HZ LYS 46 5.027 -9.692 2.887 364 2HZ LYS 46 1HZ LYS 46 5.248 -10.698 4.181 365 3HZ LYS 46 2HZ LYS 46 5.527 -11.252 2.695 366 H LYS 47 H LYS 47 -3.213 -10.200 2.577 367 HA LYS 47 HA LYS 47 -3.518 -11.469 0.010 368 1HB LYS 47 1HB LYS 47 -5.110 -11.856 1.834 369 2HB LYS 47 2HB LYS 47 -5.667 -10.186 1.774 370 1HG LYS 47 1HG LYS 47 -5.773 -11.860 -0.750 371 2HG LYS 47 2HG LYS 47 -6.950 -12.182 0.517 372 1HD LYS 47 1HD LYS 47 -7.985 -10.069 0.327 373 2HD LYS 47 2HD LYS 47 -6.614 -9.346 -0.487 374 1HE LYS 47 1HE LYS 47 -8.285 -9.598 -2.142 375 2HE LYS 47 2HE LYS 47 -7.014 -10.762 -2.495 376 1HZ LYS 47 3HZ LYS 47 -8.420 -12.483 -1.509 377 2HZ LYS 47 1HZ LYS 47 -9.605 -11.380 -1.199 378 3HZ LYS 47 2HZ LYS 47 -9.187 -11.725 -2.746 379 H ILE 48 H ILE 48 -4.010 -8.081 1.097 380 HA ILE 48 HA ILE 48 -5.165 -7.046 -1.268 381 HB ILE 48 HB ILE 48 -3.305 -5.741 0.748 382 1HG1 ILE 48 1HG1 ILE 48 -5.647 -6.656 1.416 383 2HG1 ILE 48 2HG1 ILE 48 -5.112 -5.072 1.972 384 1HG2 ILE 48 2HG2 ILE 48 -4.885 -4.329 -1.414 385 2HG2 ILE 48 3HG2 ILE 48 -4.109 -3.544 -0.022 386 3HG2 ILE 48 1HG2 ILE 48 -3.124 -4.377 -1.221 387 1HD1 ILE 48 1HD1 ILE 48 -6.936 -5.518 -0.409 388 2HD1 ILE 48 2HD1 ILE 48 -7.503 -5.222 1.247 389 3HD1 ILE 48 3HD1 ILE 48 -6.555 -3.977 0.428 390 H MET 49 H MET 49 -1.681 -7.249 -0.332 391 HA MET 49 HA MET 49 -0.832 -6.229 -2.868 392 1HB MET 49 1HB MET 49 0.724 -7.854 -0.808 393 2HB MET 49 2HB MET 49 1.429 -6.977 -2.165 394 1HG MET 49 1HG MET 49 -0.089 -5.827 0.191 395 2HG MET 49 2HG MET 49 1.626 -5.608 -0.167 396 1HE MET 49 3HE MET 49 0.883 -3.152 0.684 397 2HE MET 49 1HE MET 49 -0.252 -2.116 -0.209 398 3HE MET 49 2HE MET 49 -0.848 -3.549 0.649 399 H ARG 50 H ARG 50 -1.176 -9.697 -1.722 400 HA ARG 50 HA ARG 50 -0.077 -10.812 -4.101 401 1HB ARG 50 1HB ARG 50 -0.848 -11.945 -1.912 402 2HB ARG 50 2HB ARG 50 -2.453 -12.016 -2.601 403 1HG ARG 50 1HG ARG 50 -0.029 -13.238 -4.011 404 2HG ARG 50 2HG ARG 50 -0.851 -14.048 -2.701 405 1HD ARG 50 1HD ARG 50 -1.836 -15.093 -4.419 406 2HD ARG 50 2HD ARG 50 -3.018 -13.815 -4.144 407 HE ARG 50 HE ARG 50 -1.792 -12.572 -5.994 408 1HH1 ARG 50 2HH2 ARG 50 -1.909 -16.139 -6.081 409 2HH1 ARG 50 1HH2 ARG 50 -1.799 -16.217 -7.796 410 1HH2 ARG 50 2HH1 ARG 50 -1.667 -12.677 -8.206 411 2HH2 ARG 50 1HH1 ARG 50 -1.648 -14.180 -9.051 412 H SER 51 H SER 51 -3.247 -9.462 -3.427 413 HA SER 51 HA SER 51 -4.437 -10.248 -5.951 414 1HB SER 51 1HB SER 51 -5.491 -9.905 -3.630 415 2HB SER 51 2HB SER 51 -5.413 -8.171 -3.950 416 HG SER 51 HG SER 51 -6.772 -8.540 -5.734 417 H PHE 52 H PHE 52 -2.936 -7.163 -4.710 418 HA PHE 52 HA PHE 52 -3.098 -6.065 -7.489 419 1HB PHE 52 1HB PHE 52 -3.808 -4.440 -5.027 420 2HB PHE 52 2HB PHE 52 -4.215 -4.121 -6.699 421 HD1 PHE 52 HD1 PHE 52 -5.965 -5.903 -7.785 422 HD2 PHE 52 HD2 PHE 52 -5.430 -5.117 -3.579 423 HE1 PHE 52 HE1 PHE 52 -8.275 -6.686 -7.333 424 HE2 PHE 52 HE2 PHE 52 -7.739 -5.897 -3.134 425 HZ PHE 52 HZ PHE 52 -9.169 -6.678 -5.015 426 H LEU 53 H LEU 53 -0.601 -6.910 -5.857 427 HA LEU 53 HA LEU 53 0.523 -4.796 -4.546 428 1HB LEU 53 1HB LEU 53 1.548 -6.981 -4.523 429 2HB LEU 53 2HB LEU 53 1.986 -6.865 -6.224 430 HG LEU 53 HG LEU 53 3.650 -5.160 -5.717 431 1HD1 LEU 53 2HD1 LEU 53 2.731 -5.296 -2.802 432 2HD1 LEU 53 3HD1 LEU 53 4.148 -4.446 -3.421 433 3HD1 LEU 53 1HD1 LEU 53 2.551 -3.898 -3.884 434 1HD2 LEU 53 1HD2 LEU 53 3.700 -7.508 -3.755 435 2HD2 LEU 53 2HD2 LEU 53 4.328 -7.490 -5.418 436 3HD2 LEU 53 3HD2 LEU 53 5.102 -6.512 -4.164 437 H ARG 54 H ARG 54 1.324 -5.380 -8.072 438 HA ARG 54 HA ARG 54 2.837 -2.974 -8.039 439 1HB ARG 54 1HB ARG 54 3.045 -4.941 -9.638 440 2HB ARG 54 2HB ARG 54 1.750 -4.191 -10.595 441 1HG ARG 54 1HG ARG 54 3.086 -2.173 -10.920 442 2HG ARG 54 2HG ARG 54 4.249 -2.695 -9.718 443 1HD ARG 54 1HD ARG 54 3.872 -3.800 -12.506 444 2HD ARG 54 2HD ARG 54 5.236 -2.883 -11.897 445 HE ARG 54 HE ARG 54 5.012 -5.628 -11.976 446 1HH1 ARG 54 2HH2 ARG 54 6.344 -3.209 -9.723 447 2HH1 ARG 54 1HH2 ARG 54 7.253 -4.294 -8.829 448 1HH2 ARG 54 2HH1 ARG 54 6.621 -7.002 -11.058 449 2HH2 ARG 54 1HH1 ARG 54 7.563 -6.426 -9.734 450 H ARG 55 H ARG 55 -0.678 -3.260 -8.131 451 HA ARG 55 HA ARG 55 -1.229 -0.841 -9.549 452 1HB ARG 55 1HB ARG 55 -2.809 -2.507 -7.629 453 2HB ARG 55 2HB ARG 55 -3.255 -0.903 -8.061 454 1HG ARG 55 1HG ARG 55 -2.773 -1.870 -10.579 455 2HG ARG 55 2HG ARG 55 -3.186 -3.357 -9.708 456 1HD ARG 55 1HD ARG 55 -5.173 -2.746 -10.548 457 2HD ARG 55 2HD ARG 55 -5.237 -2.033 -8.899 458 HE ARG 55 HE ARG 55 -4.326 -0.087 -10.772 459 1HH1 ARG 55 2HH2 ARG 55 -7.440 -1.754 -10.072 460 2HH1 ARG 55 1HH2 ARG 55 -8.327 -0.271 -10.274 461 1HH2 ARG 55 2HH1 ARG 55 -5.670 1.801 -11.058 462 2HH2 ARG 55 1HH1 ARG 55 -7.306 1.708 -10.620 463 H ILE 56 H ILE 56 -0.551 -1.812 -6.126 464 HA ILE 56 HA ILE 56 -1.076 0.705 -4.961 465 HB ILE 56 HB ILE 56 0.847 -1.386 -3.931 466 1HG1 ILE 56 1HG1 ILE 56 -1.002 -2.708 -4.166 467 2HG1 ILE 56 2HG1 ILE 56 -1.294 -2.044 -2.576 468 1HG2 ILE 56 2HG2 ILE 56 0.889 0.763 -2.704 469 2HG2 ILE 56 3HG2 ILE 56 -0.863 0.626 -2.423 470 3HG2 ILE 56 1HG2 ILE 56 0.267 -0.560 -1.729 471 1HD1 ILE 56 1HD1 ILE 56 -2.873 -0.359 -3.674 472 2HD1 ILE 56 2HD1 ILE 56 -2.752 -1.351 -5.144 473 3HD1 ILE 56 3HD1 ILE 56 -3.377 -2.070 -3.674 474 H SER 57 H SER 57 1.785 -0.575 -6.634 475 HA SER 57 HA SER 57 3.565 1.502 -5.876 476 1HB SER 57 1HB SER 57 4.107 -0.813 -6.786 477 2HB SER 57 2HB SER 57 3.612 -0.236 -8.390 478 HG SER 57 HG SER 57 5.828 -0.108 -8.006 479 H TRP 58 H TRP 58 1.653 1.058 -8.925 480 HA TRP 58 HA TRP 58 2.233 3.438 -10.244 481 1HB TRP 58 1HB TRP 58 0.720 2.483 -11.600 482 2HB TRP 58 2HB TRP 58 0.064 1.497 -10.314 483 HD1 TRP 58 HD1 TRP 58 -0.364 5.147 -11.575 484 HE1 TRP 58 HE1 TRP 58 -2.745 5.937 -11.101 485 HE3 TRP 58 HE3 TRP 58 -2.269 0.893 -9.482 486 HZ2 TRP 58 HZ2 TRP 58 -5.149 4.898 -9.747 487 HZ3 TRP 58 HZ3 TRP 58 -4.488 0.880 -8.452 488 HH2 TRP 58 HH2 TRP 58 -5.906 2.830 -8.511 489 H ASP 59 H ASP 59 -0.108 2.932 -7.666 490 HA ASP 59 HA ASP 59 -1.130 5.533 -7.489 491 1HB ASP 59 1HB ASP 59 -0.902 3.300 -5.470 492 2HB ASP 59 2HB ASP 59 -1.501 4.892 -5.032 493 HD2 ASP 59 HD2 ASP 59 -3.733 2.576 -7.276 494 H ILE 60 H ILE 60 1.627 4.266 -5.469 495 HA ILE 60 HA ILE 60 1.861 6.774 -4.112 496 HB ILE 60 HB ILE 60 4.116 4.780 -4.488 497 1HG1 ILE 60 1HG1 ILE 60 2.437 3.406 -3.599 498 2HG1 ILE 60 2HG1 ILE 60 3.407 3.875 -2.227 499 1HG2 ILE 60 2HG2 ILE 60 3.508 6.820 -2.293 500 2HG2 ILE 60 3HG2 ILE 60 4.865 5.678 -2.292 501 3HG2 ILE 60 1HG2 ILE 60 4.784 6.946 -3.512 502 1HD1 ILE 60 2HD1 ILE 60 1.644 5.494 -1.559 503 2HD1 ILE 60 3HD1 ILE 60 0.659 4.964 -2.953 504 3HD1 ILE 60 1HD1 ILE 60 1.060 3.816 -1.673 505 H LEU 61 H LEU 61 3.495 5.438 -7.002 506 HA LEU 61 HA LEU 61 5.285 7.575 -7.488 507 1HB LEU 61 1HB LEU 61 3.806 5.800 -9.471 508 2HB LEU 61 2HB LEU 61 5.200 6.799 -9.872 509 HG LEU 61 HG LEU 61 5.321 4.616 -7.748 510 1HD1 LEU 61 1HD1 LEU 61 4.621 3.691 -9.953 511 2HD1 LEU 61 2HD1 LEU 61 6.098 4.373 -10.679 512 3HD1 LEU 61 3HD1 LEU 61 6.185 3.130 -9.404 513 1HD2 LEU 61 2HD2 LEU 61 7.132 6.320 -7.653 514 2HD2 LEU 61 3HD2 LEU 61 7.719 4.724 -8.095 515 3HD2 LEU 61 1HD2 LEU 61 7.531 5.975 -9.346 516 H THR 62 H THR 62 1.872 7.187 -8.462 517 HA THR 62 HA THR 62 1.878 9.931 -9.586 518 HB THR 62 HB THR 62 -0.385 9.428 -10.344 519 HG1 THR 62 HG1 THR 62 0.095 6.803 -9.383 520 1HG2 THR 62 2HG2 THR 62 1.546 8.914 -11.793 521 2HG2 THR 62 3HG2 THR 62 1.597 7.260 -11.155 522 3HG2 THR 62 1HG2 THR 62 0.184 7.819 -12.077 523 H GLY 63 H GLY 63 2.376 9.478 -6.763 524 1HA GLY 63 1HA GLY 63 1.794 10.042 -4.666 525 2HA GLY 63 2HA GLY 63 1.486 11.584 -5.469 526 H LYS 64 H LYS 64 -0.403 8.455 -5.421 527 HA LYS 64 HA LYS 64 -2.795 10.162 -5.162 528 1HB LYS 64 1HB LYS 64 -2.333 7.952 -6.533 529 2HB LYS 64 2HB LYS 64 -2.637 7.120 -5.058 530 1HG LYS 64 1HG LYS 64 -4.704 7.054 -6.086 531 2HG LYS 64 2HG LYS 64 -4.897 8.453 -5.025 532 1HD LYS 64 1HD LYS 64 -5.801 8.880 -7.268 533 2HD LYS 64 2HD LYS 64 -4.451 9.972 -6.966 534 1HE LYS 64 1HE LYS 64 -3.873 7.328 -8.303 535 2HE LYS 64 2HE LYS 64 -4.768 8.514 -9.255 536 1HZ LYS 64 3HZ LYS 64 -2.201 9.266 -7.970 537 2HZ LYS 64 1HZ LYS 64 -2.219 8.515 -9.384 538 3HZ LYS 64 2HZ LYS 64 -2.957 9.985 -9.219 539 H LYS 65 H LYS 65 -4.117 10.096 -3.406 540 HA LYS 65 HA LYS 65 -2.723 9.510 -0.858 541 1HB LYS 65 1HB LYS 65 -5.385 10.872 -1.357 542 2HB LYS 65 2HB LYS 65 -4.726 10.603 0.250 543 1HG LYS 65 1HG LYS 65 -3.477 12.299 -1.967 544 2HG LYS 65 2HG LYS 65 -4.196 12.843 -0.464 545 1HD LYS 65 1HD LYS 65 -1.987 13.047 0.079 546 2HD LYS 65 2HD LYS 65 -2.289 11.420 0.686 547 1HE LYS 65 1HE LYS 65 -1.346 10.568 -1.572 548 2HE LYS 65 2HE LYS 65 -0.888 12.226 -1.922 549 1HZ LYS 65 2HZ LYS 65 0.057 10.675 0.456 550 2HZ LYS 65 3HZ LYS 65 0.816 10.680 -0.883 551 3HZ LYS 65 1HZ LYS 65 0.664 12.125 -0.086 552 HA PRO 66 HA PRO 66 -3.998 5.571 0.078 553 1HB PRO 66 1HB PRO 66 -4.708 5.661 2.783 554 2HB PRO 66 2HB PRO 66 -3.059 5.596 2.138 555 1HG PRO 66 1HG PRO 66 -4.609 8.042 2.972 556 2HG PRO 66 2HG PRO 66 -2.892 7.618 3.315 557 1HD PRO 66 1HD PRO 66 -3.441 9.314 1.348 558 2HD PRO 66 2HD PRO 66 -2.257 7.997 1.036 559 H GLN 67 H GLN 67 -6.434 7.729 1.639 560 HA GLN 67 HA GLN 67 -8.463 5.753 1.595 561 1HB GLN 67 1HB GLN 67 -8.268 7.942 2.934 562 2HB GLN 67 2HB GLN 67 -8.943 8.763 1.522 563 1HG GLN 67 1HG GLN 67 -11.005 7.478 1.702 564 2HG GLN 67 2HG GLN 67 -10.282 6.401 2.909 565 1HE2 GLN 67 2HE2 GLN 67 -12.179 9.611 4.303 566 2HE2 GLN 67 1HE2 GLN 67 -12.423 8.981 2.693 567 H ALA 68 H ALA 68 -7.368 7.969 -0.926 568 HA ALA 68 HA ALA 68 -9.711 7.490 -2.650 569 1HB ALA 68 1HB ALA 68 -8.512 9.668 -2.726 570 2HB ALA 68 2HB ALA 68 -7.015 8.833 -3.216 571 3HB ALA 68 3HB ALA 68 -8.432 8.824 -4.283 572 H ILE 69 H ILE 69 -6.250 6.366 -2.427 573 HA ILE 69 HA ILE 69 -6.223 4.733 -4.736 574 HB ILE 69 HB ILE 69 -5.015 4.349 -1.933 575 1HG1 ILE 69 1HG1 ILE 69 -3.638 5.013 -4.507 576 2HG1 ILE 69 2HG1 ILE 69 -4.274 6.258 -3.516 577 1HG2 ILE 69 2HG2 ILE 69 -4.664 2.606 -4.399 578 2HG2 ILE 69 3HG2 ILE 69 -3.482 2.613 -3.081 579 3HG2 ILE 69 1HG2 ILE 69 -5.131 2.099 -2.773 580 1HD1 ILE 69 1HD1 ILE 69 -2.222 4.239 -2.499 581 2HD1 ILE 69 2HD1 ILE 69 -1.845 5.853 -3.087 582 3HD1 ILE 69 3HD1 ILE 69 -2.853 5.674 -1.661 583 H CYS 70 H CYS 70 -7.319 3.956 -1.449 584 HA CYS 70 HA CYS 70 -8.169 1.316 -2.030 585 1HB CYS 70 1HB CYS 70 -9.083 3.318 0.062 586 2HB CYS 70 2HB CYS 70 -9.401 1.569 0.111 587 H VAL 71 H VAL 71 -10.064 4.463 -2.479 588 HA VAL 71 HA VAL 71 -12.422 2.851 -3.086 589 HB VAL 71 HB VAL 71 -11.953 5.757 -3.839 590 1HG1 VAL 71 1HG1 VAL 71 -14.478 3.967 -3.729 591 2HG1 VAL 71 2HG1 VAL 71 -14.496 5.731 -3.995 592 3HG1 VAL 71 3HG1 VAL 71 -13.768 4.668 -5.194 593 1HG2 VAL 71 2HG2 VAL 71 -11.998 5.371 -1.365 594 2HG2 VAL 71 3HG2 VAL 71 -13.415 6.251 -1.935 595 3HG2 VAL 71 1HG2 VAL 71 -13.545 4.539 -1.568 596 H ASP 72 H ASP 72 -9.736 4.254 -5.095 597 HA ASP 72 HA ASP 72 -10.826 3.833 -7.632 598 1HB ASP 72 1HB ASP 72 -8.666 4.977 -7.182 599 2HB ASP 72 2HB ASP 72 -7.933 3.453 -6.741 600 H ILE 73 H ILE 73 -8.728 1.574 -5.825 601 HA ILE 73 HA ILE 73 -9.308 -0.499 -7.802 602 HB ILE 73 HB ILE 73 -7.591 -1.755 -6.777 603 1HG1 ILE 73 1HG1 ILE 73 -7.707 0.222 -4.428 604 2HG1 ILE 73 2HG1 ILE 73 -8.164 -1.479 -4.408 605 1HG2 ILE 73 3HG2 ILE 73 -7.075 0.434 -8.051 606 2HG2 ILE 73 1HG2 ILE 73 -6.582 1.077 -6.495 607 3HG2 ILE 73 2HG2 ILE 73 -5.773 -0.366 -7.153 608 1HD1 ILE 73 3HD1 ILE 73 -5.831 -2.086 -5.062 609 2HD1 ILE 73 1HD1 ILE 73 -5.383 -0.371 -4.846 610 3HD1 ILE 73 2HD1 ILE 73 -5.975 -1.306 -3.463 611 H LYS 74 H LYS 74 -10.947 0.558 -5.312 612 HA LYS 74 HA LYS 74 -12.931 0.170 -4.422 613 1HB LYS 74 1HB LYS 74 -13.563 -0.835 -6.608 614 2HB LYS 74 2HB LYS 74 -13.191 -2.427 -5.924 615 1HG LYS 74 1HG LYS 74 -14.777 -1.494 -3.917 616 2HG LYS 74 2HG LYS 74 -15.351 -0.425 -5.169 617 1HD LYS 74 1HD LYS 74 -16.777 -2.399 -4.858 618 2HD LYS 74 2HD LYS 74 -16.137 -2.298 -6.492 619 1HE LYS 74 1HE LYS 74 -16.198 -4.611 -5.487 620 2HE LYS 74 2HE LYS 74 -14.630 -4.115 -6.139 621 1HZ LYS 74 2HZ LYS 74 -15.231 -3.903 -3.227 622 2HZ LYS 74 3HZ LYS 74 -14.528 -5.217 -3.907 623 3HZ LYS 74 1HZ LYS 74 -13.824 -3.741 -3.939 624 H ILE 75 H ILE 75 -11.668 0.098 -2.645 625 HA ILE 75 HA ILE 75 -12.133 -2.226 -0.881 626 HB ILE 75 HB ILE 75 -9.536 -0.627 -1.053 627 1HG1 ILE 75 1HG1 ILE 75 -10.137 -3.464 -2.020 628 2HG1 ILE 75 2HG1 ILE 75 -9.730 -2.076 -3.028 629 1HG2 ILE 75 3HG2 ILE 75 -10.042 -1.474 1.208 630 2HG2 ILE 75 1HG2 ILE 75 -10.224 -3.123 0.541 631 3HG2 ILE 75 2HG2 ILE 75 -8.655 -2.306 0.525 632 1HD1 ILE 75 2HD1 ILE 75 -7.521 -1.949 -1.760 633 2HD1 ILE 75 3HD1 ILE 75 -7.945 -3.582 -1.188 634 3HD1 ILE 75 1HD1 ILE 75 -7.760 -3.291 -2.915 635 H CYS 76 H CYS 76 -12.026 1.283 -1.421 636 HA CYS 76 HA CYS 76 -13.048 1.641 1.330 637 1HB CYS 76 1HB CYS 76 -10.917 2.762 1.210 638 2HB CYS 76 2HB CYS 76 -11.454 3.647 -0.225 639 H LYS 77 H LYS 77 -14.429 3.699 1.415 640 HA LYS 77 HA LYS 77 -16.547 4.350 1.159 641 1HB LYS 77 1HB LYS 77 -15.386 5.693 -0.710 642 2HB LYS 77 2HB LYS 77 -16.120 4.539 -1.834 643 1HG LYS 77 1HG LYS 77 -18.255 5.333 -0.128 644 2HG LYS 77 2HG LYS 77 -17.283 6.775 -0.272 645 1HD LYS 77 1HD LYS 77 -18.940 6.926 -1.951 646 2HD LYS 77 2HD LYS 77 -17.428 6.586 -2.780 647 1HE LYS 77 1HE LYS 77 -19.275 5.323 -3.771 648 2HE LYS 77 2HE LYS 77 -18.077 4.226 -3.070 649 1HZ LYS 77 1HZ LYS 77 -20.562 4.962 -1.640 650 2HZ LYS 77 2HZ LYS 77 -20.395 3.616 -2.584 651 3HZ LYS 77 3HZ LYS 77 -19.457 3.780 -1.275 652 H GLU 78 H GLU 78 -15.824 1.531 1.043 653 HA GLU 78 HA GLU 78 -17.953 0.414 -0.554 654 1HB GLU 78 1HB GLU 78 -15.870 -0.793 1.314 655 2HB GLU 78 2HB GLU 78 -17.150 -1.727 0.501 656 1HG GLU 78 1HG GLU 78 -16.062 -1.013 -1.693 657 2HG GLU 78 2HG GLU 78 -14.702 -0.451 -0.717 No H/Q in entry = 657 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -16.895 -0.351 4.383 2 2H GLY 1 2H GLY 1 -15.940 -1.100 3.299 3 3H GLY 1 3H GLY 1 -17.537 -1.481 3.363 4 1HA GLY 1 1HA GLY 1 -17.300 -2.417 5.573 5 2HA GLY 1 2HA GLY 1 -16.227 -3.218 4.406 6 H TYR 2 H TYR 2 -15.364 -3.548 7.001 7 HA TYR 2 HA TYR 2 -13.715 -1.550 8.063 8 1HB TYR 2 1HB TYR 2 -14.237 -3.593 9.294 9 2HB TYR 2 2HB TYR 2 -13.336 -4.565 8.127 10 HD1 TYR 2 HD2 TYR 2 -12.743 -1.456 10.231 11 HD2 TYR 2 HD1 TYR 2 -11.168 -5.242 8.852 12 HE1 TYR 2 HE2 TYR 2 -10.565 -0.919 11.228 13 HE2 TYR 2 HE1 TYR 2 -8.990 -4.701 9.889 14 HH TYR 2 HH TYR 2 -8.351 -1.381 11.017 15 H PHE 3 H PHE 3 -13.212 -3.514 5.217 16 HA PHE 3 HA PHE 3 -10.535 -3.327 4.688 17 1HB PHE 3 1HB PHE 3 -12.962 -3.090 2.899 18 2HB PHE 3 2HB PHE 3 -11.340 -2.939 2.256 19 HD1 PHE 3 HD1 PHE 3 -9.699 -4.726 2.355 20 HD2 PHE 3 HD2 PHE 3 -13.837 -5.344 3.416 21 HE1 PHE 3 HE1 PHE 3 -9.428 -7.163 1.990 22 HE2 PHE 3 HE2 PHE 3 -13.556 -7.780 3.058 23 HZ PHE 3 HZ PHE 3 -11.371 -8.685 2.330 24 H CYS 4 H CYS 4 -12.897 -0.604 4.494 25 HA CYS 4 HA CYS 4 -11.236 1.210 3.123 26 1HB CYS 4 1HB CYS 4 -13.722 1.507 3.788 27 2HB CYS 4 2HB CYS 4 -13.154 1.970 5.375 28 H GLU 5 H GLU 5 -11.640 0.819 6.688 29 HA GLU 5 HA GLU 5 -9.651 2.710 7.447 30 1HB GLU 5 1HB GLU 5 -11.558 1.700 8.816 31 2HB GLU 5 2HB GLU 5 -10.582 0.250 8.993 32 1HG GLU 5 1HG GLU 5 -9.818 3.062 9.905 33 2HG GLU 5 2HG GLU 5 -10.500 1.812 10.939 34 H SER 6 H SER 6 -9.623 -0.826 7.085 35 HA SER 6 HA SER 6 -7.000 -1.429 7.768 36 1HB SER 6 1HB SER 6 -8.461 -2.657 5.387 37 2HB SER 6 2HB SER 6 -7.188 -3.375 6.372 38 HG SER 6 HG SER 6 -9.743 -2.642 7.401 39 H CYS 7 H CYS 7 -8.211 -0.616 4.507 40 HA CYS 7 HA CYS 7 -5.792 -0.711 3.069 41 1HB CYS 7 1HB CYS 7 -7.999 -0.846 2.125 42 2HB CYS 7 2HB CYS 7 -8.399 0.786 2.629 43 H ARG 8 H ARG 8 -7.592 2.046 4.572 44 HA ARG 8 HA ARG 8 -5.822 4.080 3.752 45 1HB ARG 8 1HB ARG 8 -8.175 4.239 4.844 46 2HB ARG 8 2HB ARG 8 -7.342 4.092 6.398 47 1HG ARG 8 1HG ARG 8 -5.952 6.120 5.709 48 2HG ARG 8 2HG ARG 8 -6.987 6.247 4.271 49 1HD ARG 8 1HD ARG 8 -8.987 6.295 5.895 50 2HD ARG 8 2HD ARG 8 -7.817 6.541 7.194 51 HE ARG 8 HE ARG 8 -8.868 8.487 5.394 52 1HH1 ARG 8 2HH2 ARG 8 -5.818 7.762 7.054 53 2HH1 ARG 8 1HH2 ARG 8 -5.087 9.269 6.760 54 1HH2 ARG 8 2HH1 ARG 8 -8.145 10.525 5.219 55 2HH2 ARG 8 1HH1 ARG 8 -6.601 11.035 5.852 56 H LYS 9 H LYS 9 -5.836 2.149 6.796 57 HA LYS 9 HA LYS 9 -3.505 3.273 7.942 58 1HB LYS 9 1HB LYS 9 -5.311 1.655 8.917 59 2HB LYS 9 2HB LYS 9 -4.340 0.356 8.221 60 1HG LYS 9 1HG LYS 9 -2.355 1.455 9.547 61 2HG LYS 9 2HG LYS 9 -3.621 2.322 10.417 62 1HD LYS 9 1HD LYS 9 -3.092 -0.662 10.287 63 2HD LYS 9 2HD LYS 9 -3.036 0.375 11.705 64 1HE LYS 9 1HE LYS 9 -5.537 -0.454 10.155 65 2HE LYS 9 2HE LYS 9 -5.018 -1.106 11.711 66 1HZ LYS 9 3HZ LYS 9 -5.426 1.144 12.652 67 2HZ LYS 9 1HZ LYS 9 -5.981 1.634 11.146 68 3HZ LYS 9 2HZ LYS 9 -6.765 0.521 11.868 69 H ILE 10 H ILE 10 -3.887 0.431 5.823 70 HA ILE 10 HA ILE 10 -1.213 -0.450 5.790 71 HB ILE 10 HB ILE 10 -3.590 -0.814 3.954 72 1HG1 ILE 10 1HG1 ILE 10 -2.028 -2.848 5.608 73 2HG1 ILE 10 2HG1 ILE 10 -3.307 -1.881 6.311 74 1HG2 ILE 10 3HG2 ILE 10 -0.814 -1.961 3.575 75 2HG2 ILE 10 1HG2 ILE 10 -2.264 -2.687 2.843 76 3HG2 ILE 10 2HG2 ILE 10 -1.783 -1.060 2.393 77 1HD1 ILE 10 2HD1 ILE 10 -4.932 -2.773 4.650 78 2HD1 ILE 10 3HD1 ILE 10 -3.671 -3.825 3.995 79 3HD1 ILE 10 1HD1 ILE 10 -4.205 -4.036 5.658 80 H ILE 11 H ILE 11 -2.900 1.701 3.409 81 HA ILE 11 HA ILE 11 -0.478 2.186 1.950 82 HB ILE 11 HB ILE 11 -3.088 3.727 2.092 83 1HG1 ILE 11 1HG1 ILE 11 -3.473 1.601 1.018 84 2HG1 ILE 11 2HG1 ILE 11 -3.475 2.862 -0.200 85 1HG2 ILE 11 2HG2 ILE 11 -0.718 4.156 0.220 86 2HG2 ILE 11 3HG2 ILE 11 -2.320 4.888 0.046 87 3HG2 ILE 11 1HG2 ILE 11 -1.314 5.299 1.418 88 1HD1 ILE 11 3HD1 ILE 11 -1.207 2.187 -0.918 89 2HD1 ILE 11 1HD1 ILE 11 -1.204 0.899 0.315 90 3HD1 ILE 11 2HD1 ILE 11 -2.375 0.864 -1.010 91 H GLN 12 H GLN 12 -2.058 4.047 4.666 92 HA GLN 12 HA GLN 12 -0.264 6.216 4.509 93 1HB GLN 12 1HB GLN 12 -1.709 5.012 6.894 94 2HB GLN 12 2HB GLN 12 -0.758 6.490 7.011 95 1HG GLN 12 1HG GLN 12 -2.809 6.425 4.824 96 2HG GLN 12 2HG GLN 12 -3.411 6.423 6.469 97 1HE2 GLN 12 2HE2 GLN 12 -1.278 9.803 5.391 98 2HE2 GLN 12 1HE2 GLN 12 -0.899 8.375 4.492 99 H LYS 13 H LYS 13 0.175 3.091 6.349 100 HA LYS 13 HA LYS 13 2.725 3.959 7.343 101 1HB LYS 13 1HB LYS 13 1.281 2.087 8.273 102 2HB LYS 13 2HB LYS 13 1.770 1.106 6.894 103 1HG LYS 13 1HG LYS 13 3.044 0.518 8.870 104 2HG LYS 13 2HG LYS 13 4.123 1.164 7.657 105 1HD LYS 13 1HD LYS 13 3.084 3.178 9.629 106 2HD LYS 13 2HD LYS 13 4.076 1.883 10.319 107 1HE LYS 13 1HE LYS 13 5.890 2.363 8.720 108 2HE LYS 13 2HE LYS 13 4.921 3.629 7.972 109 1HZ LYS 13 1HZ LYS 13 5.987 3.777 10.743 110 2HZ LYS 13 2HZ LYS 13 6.425 4.625 9.371 111 3HZ LYS 13 3HZ LYS 13 5.042 4.927 9.946 112 H LEU 14 H LEU 14 1.778 2.608 4.209 113 HA LEU 14 HA LEU 14 4.501 1.882 3.447 114 1HB LEU 14 1HB LEU 14 2.513 0.832 2.372 115 2HB LEU 14 2HB LEU 14 2.013 2.393 1.752 116 HG LEU 14 HG LEU 14 3.928 2.558 0.293 117 1HD1 LEU 14 1HD1 LEU 14 4.911 0.006 1.622 118 2HD1 LEU 14 2HD1 LEU 14 5.521 0.602 0.055 119 3HD1 LEU 14 3HD1 LEU 14 5.750 1.559 1.508 120 1HD2 LEU 14 3HD2 LEU 14 1.937 1.261 -0.422 121 2HD2 LEU 14 1HD2 LEU 14 3.421 0.691 -1.191 122 3HD2 LEU 14 2HD2 LEU 14 2.706 -0.232 0.156 123 H GLU 15 H GLU 15 2.320 4.613 2.899 124 HA GLU 15 HA GLU 15 3.909 6.184 1.182 125 1HB GLU 15 1HB GLU 15 1.437 6.249 1.633 126 2HB GLU 15 2HB GLU 15 1.749 6.781 3.279 127 1HG GLU 15 1HG GLU 15 2.535 8.954 2.432 128 2HG GLU 15 2HG GLU 15 2.281 8.390 0.769 129 H ASP 16 H ASP 16 3.509 6.225 4.724 130 HA ASP 16 HA ASP 16 5.504 8.084 5.456 131 1HB ASP 16 1HB ASP 16 3.820 7.332 6.991 132 2HB ASP 16 2HB ASP 16 4.160 5.642 6.658 133 H MET 17 H MET 17 5.783 4.523 4.988 134 HA MET 17 HA MET 17 8.538 4.519 5.795 135 1HB MET 17 1HB MET 17 6.789 2.460 4.414 136 2HB MET 17 2HB MET 17 8.536 2.222 4.565 137 1HG MET 17 1HG MET 17 8.460 2.388 6.952 138 2HG MET 17 2HG MET 17 6.764 2.827 6.929 139 1HE MET 17 1HE MET 17 9.021 -0.088 5.357 140 2HE MET 17 2HE MET 17 7.833 -1.419 5.352 141 3HE MET 17 3HE MET 17 7.560 0.014 4.351 142 H VAL 18 H VAL 18 7.047 4.508 2.459 143 HA VAL 18 HA VAL 18 9.680 4.108 1.317 144 HB VAL 18 HB VAL 18 7.382 3.576 0.281 145 1HG1 VAL 18 2HG1 VAL 18 6.392 5.827 0.383 146 2HG1 VAL 18 3HG1 VAL 18 7.599 6.383 -0.799 147 3HG1 VAL 18 1HG1 VAL 18 6.434 5.141 -1.260 148 1HG2 VAL 18 2HG2 VAL 18 9.731 4.630 -1.266 149 2HG2 VAL 18 3HG2 VAL 18 9.362 2.970 -0.767 150 3HG2 VAL 18 1HG2 VAL 18 8.357 3.743 -1.995 151 H GLY 19 H GLY 19 7.722 6.912 2.326 152 1HA GLY 19 1HA GLY 19 8.457 8.976 2.866 153 2HA GLY 19 2HA GLY 19 10.104 8.517 2.428 154 HA PRO 20 HA PRO 20 8.791 11.552 -0.764 155 1HB PRO 20 1HB PRO 20 11.241 12.308 -1.707 156 2HB PRO 20 2HB PRO 20 10.665 12.782 -0.081 157 1HG PRO 20 1HG PRO 20 12.449 10.431 -0.808 158 2HG PRO 20 2HG PRO 20 12.740 11.691 0.436 159 1HD PRO 20 1HD PRO 20 11.631 9.262 1.018 160 2HD PRO 20 2HD PRO 20 11.130 10.760 1.882 161 H GLN 21 H GLN 21 9.624 11.843 -3.095 162 HA GLN 21 HA GLN 21 8.415 10.285 -4.838 163 1HB GLN 21 1HB GLN 21 11.055 11.658 -5.358 164 2HB GLN 21 2HB GLN 21 9.949 11.084 -6.606 165 1HG GLN 21 1HG GLN 21 9.261 13.211 -4.520 166 2HG GLN 21 2HG GLN 21 9.770 13.518 -6.172 167 1HE2 GLN 21 2HE2 GLN 21 5.937 12.254 -5.576 168 2HE2 GLN 21 1HE2 GLN 21 7.052 12.099 -4.216 169 HA PRO 22 HA PRO 22 10.873 6.527 -4.310 170 1HB PRO 22 1HB PRO 22 8.949 4.705 -4.185 171 2HB PRO 22 2HB PRO 22 9.134 5.958 -2.919 172 1HG PRO 22 1HG PRO 22 7.234 6.054 -5.283 173 2HG PRO 22 2HG PRO 22 6.858 6.228 -3.528 174 1HD PRO 22 1HD PRO 22 7.361 8.421 -5.118 175 2HD PRO 22 2HD PRO 22 7.816 8.337 -3.399 176 H ASN 23 H ASN 23 10.685 4.281 -5.600 177 HA ASN 23 HA ASN 23 9.857 4.597 -8.411 178 1HB ASN 23 1HB ASN 23 11.938 3.626 -9.203 179 2HB ASN 23 2HB ASN 23 12.310 5.075 -8.267 180 1HD2 ASN 23 2HD2 ASN 23 14.036 1.665 -7.090 181 2HD2 ASN 23 1HD2 ASN 23 13.360 1.854 -8.694 182 H GLU 24 H GLU 24 9.531 2.550 -9.398 183 HA GLU 24 HA GLU 24 7.777 0.888 -8.296 184 1HB GLU 24 1HB GLU 24 8.393 1.118 -10.674 185 2HB GLU 24 2HB GLU 24 9.896 0.278 -10.371 186 1HG GLU 24 1HG GLU 24 8.654 -1.372 -11.358 187 2HG GLU 24 2HG GLU 24 8.379 -1.761 -9.671 188 H ASP 25 H ASP 25 11.330 0.188 -8.079 189 HA ASP 25 HA ASP 25 10.866 -2.416 -6.873 190 1HB ASP 25 1HB ASP 25 12.995 -2.059 -7.972 191 2HB ASP 25 2HB ASP 25 13.377 -0.706 -6.885 192 H THR 26 H THR 26 12.111 0.710 -5.503 193 HA THR 26 HA THR 26 12.132 -0.039 -2.895 194 HB THR 26 HB THR 26 11.427 2.738 -3.927 195 HG1 THR 26 HG1 THR 26 13.351 2.761 -4.744 196 1HG2 THR 26 1HG2 THR 26 11.451 2.483 -1.423 197 2HG2 THR 26 2HG2 THR 26 13.101 1.845 -1.527 198 3HG2 THR 26 3HG2 THR 26 12.758 3.520 -2.015 199 H VAL 27 H VAL 27 9.308 1.129 -4.736 200 HA VAL 27 HA VAL 27 7.554 1.185 -2.431 201 HB VAL 27 HB VAL 27 6.716 0.703 -5.326 202 1HG1 VAL 27 1HG1 VAL 27 5.245 1.655 -2.815 203 2HG1 VAL 27 2HG1 VAL 27 4.581 1.759 -4.450 204 3HG1 VAL 27 3HG1 VAL 27 4.929 0.173 -3.750 205 1HG2 VAL 27 1HG2 VAL 27 6.970 3.334 -3.805 206 2HG2 VAL 27 2HG2 VAL 27 7.941 2.842 -5.196 207 3HG2 VAL 27 3HG2 VAL 27 6.225 3.126 -5.409 208 H THR 28 H THR 28 8.306 -1.381 -4.881 209 HA THR 28 HA THR 28 6.495 -3.317 -3.903 210 HB THR 28 HB THR 28 9.087 -3.537 -5.494 211 HG1 THR 28 HG1 THR 28 7.678 -2.486 -6.689 212 1HG2 THR 28 1HG2 THR 28 6.910 -5.620 -5.054 213 2HG2 THR 28 2HG2 THR 28 8.205 -5.706 -6.273 214 3HG2 THR 28 3HG2 THR 28 8.615 -5.737 -4.555 215 H GLN 29 H GLN 29 10.010 -2.815 -3.096 216 HA GLN 29 HA GLN 29 9.986 -5.009 -1.221 217 1HB GLN 29 1HB GLN 29 12.115 -4.109 -0.383 218 2HB GLN 29 2HB GLN 29 12.083 -4.493 -2.100 219 1HG GLN 29 1HG GLN 29 12.178 -2.258 -2.757 220 2HG GLN 29 2HG GLN 29 11.729 -1.645 -1.153 221 1HE2 GLN 29 2HE2 GLN 29 15.622 -2.123 -2.005 222 2HE2 GLN 29 1HE2 GLN 29 14.383 -2.226 -3.244 223 H ALA 30 H ALA 30 9.649 -1.421 -0.761 224 HA ALA 30 HA ALA 30 9.459 -1.496 2.039 225 1HB ALA 30 2HB ALA 30 9.714 0.608 0.791 226 2HB ALA 30 3HB ALA 30 8.079 0.425 0.114 227 3HB ALA 30 1HB ALA 30 8.299 0.677 1.857 228 H ALA 31 H ALA 31 6.934 -1.991 -0.421 229 HA ALA 31 HA ALA 31 4.741 -2.136 1.443 230 1HB ALA 31 2HB ALA 31 4.586 -1.408 -0.968 231 2HB ALA 31 3HB ALA 31 5.027 -3.040 -1.495 232 3HB ALA 31 1HB ALA 31 3.503 -2.756 -0.655 233 H SER 32 H SER 32 6.548 -4.710 -0.426 234 HA SER 32 HA SER 32 5.017 -6.888 0.648 235 1HB SER 32 1HB SER 32 7.042 -8.276 0.092 236 2HB SER 32 2HB SER 32 6.417 -7.300 -1.250 237 HG SER 32 HG SER 32 8.078 -5.892 -1.038 238 H GLN 33 H GLN 33 7.505 -4.925 2.042 239 HA GLN 33 HA GLN 33 7.640 -6.429 4.535 240 1HB GLN 33 1HB GLN 33 8.815 -3.837 3.475 241 2HB GLN 33 2HB GLN 33 8.859 -4.165 5.189 242 1HG GLN 33 1HG GLN 33 9.936 -6.166 3.146 243 2HG GLN 33 2HG GLN 33 10.920 -4.853 3.824 244 1HE2 GLN 33 2HE2 GLN 33 10.079 -8.063 6.189 245 2HE2 GLN 33 1HE2 GLN 33 9.727 -8.035 4.468 246 H VAL 34 H VAL 34 6.062 -3.329 3.433 247 HA VAL 34 HA VAL 34 5.373 -2.375 5.901 248 HB VAL 34 HB VAL 34 4.908 -1.401 3.511 249 1HG1 VAL 34 3HG1 VAL 34 3.038 -3.090 2.824 250 2HG1 VAL 34 1HG1 VAL 34 2.028 -2.179 3.914 251 3HG1 VAL 34 2HG1 VAL 34 2.792 -1.385 2.534 252 1HG2 VAL 34 1HG2 VAL 34 3.133 -0.885 5.838 253 2HG2 VAL 34 2HG2 VAL 34 4.633 -0.036 5.299 254 3HG2 VAL 34 3HG2 VAL 34 3.147 0.082 4.352 255 H CYS 35 H CYS 35 3.692 -4.743 3.891 256 HA CYS 35 HA CYS 35 1.455 -5.167 5.617 257 1HB CYS 35 1HB CYS 35 2.882 -7.012 3.622 258 2HB CYS 35 2HB CYS 35 1.323 -7.355 4.379 259 H ASP 36 H ASP 36 4.568 -6.954 5.201 260 HA ASP 36 HA ASP 36 3.825 -9.083 6.897 261 1HB ASP 36 1HB ASP 36 5.739 -8.888 5.177 262 2HB ASP 36 2HB ASP 36 6.665 -8.157 6.495 263 H LYS 37 H LYS 37 5.385 -6.057 7.415 264 HA LYS 37 HA LYS 37 6.145 -6.217 10.138 265 1HB LYS 37 1HB LYS 37 7.150 -4.998 8.209 266 2HB LYS 37 2HB LYS 37 5.834 -3.821 8.258 267 1HG LYS 37 1HG LYS 37 6.840 -2.656 9.936 268 2HG LYS 37 2HG LYS 37 7.287 -4.123 10.820 269 1HD LYS 37 1HD LYS 37 9.292 -2.932 10.075 270 2HD LYS 37 2HD LYS 37 9.159 -4.537 9.328 271 1HE LYS 37 1HE LYS 37 8.219 -3.354 7.263 272 2HE LYS 37 2HE LYS 37 8.703 -1.829 8.021 273 1HZ LYS 37 2HZ LYS 37 11.000 -2.772 8.093 274 2HZ LYS 37 3HZ LYS 37 10.480 -4.085 7.241 275 3HZ LYS 37 1HZ LYS 37 10.437 -2.601 6.565 276 H LEU 38 H LEU 38 3.275 -4.837 8.489 277 HA LEU 38 HA LEU 38 2.165 -3.642 10.916 278 1HB LEU 38 1HB LEU 38 1.062 -4.382 8.177 279 2HB LEU 38 2HB LEU 38 -0.005 -3.842 9.457 280 HG LEU 38 HG LEU 38 2.317 -2.109 8.534 281 1HD1 LEU 38 1HD1 LEU 38 -0.560 -2.147 7.500 282 2HD1 LEU 38 2HD1 LEU 38 0.688 -0.951 7.079 283 3HD1 LEU 38 3HD1 LEU 38 0.885 -2.630 6.580 284 1HD2 LEU 38 2HD2 LEU 38 -0.317 -1.488 9.952 285 2HD2 LEU 38 3HD2 LEU 38 1.309 -1.449 10.678 286 3HD2 LEU 38 1HD2 LEU 38 0.871 -0.290 9.419 287 H LYS 39 H LYS 39 2.234 -5.267 12.471 288 HA LYS 39 HA LYS 39 1.380 -7.939 11.879 289 1HB LYS 39 1HB LYS 39 1.647 -8.382 14.292 290 2HB LYS 39 2HB LYS 39 3.030 -7.540 13.599 291 1HG LYS 39 1HG LYS 39 2.201 -5.391 14.586 292 2HG LYS 39 2HG LYS 39 0.851 -6.272 15.325 293 1HD LYS 39 1HD LYS 39 2.453 -7.657 16.612 294 2HD LYS 39 2HD LYS 39 3.812 -6.820 15.832 295 1HE LYS 39 1HE LYS 39 3.032 -4.663 16.810 296 2HE LYS 39 2HE LYS 39 1.705 -5.510 17.615 297 1HZ LYS 39 1HZ LYS 39 4.588 -5.974 18.121 298 2HZ LYS 39 2HZ LYS 39 3.565 -5.153 19.101 299 3HZ LYS 39 3HZ LYS 39 3.355 -6.761 18.877 300 H ILE 40 H ILE 40 -0.442 -9.055 12.948 301 HA ILE 40 HA ILE 40 -2.632 -9.424 13.325 302 HB ILE 40 HB ILE 40 -3.034 -6.436 13.799 303 1HG1 ILE 40 1HG1 ILE 40 -1.559 -7.298 15.515 304 2HG1 ILE 40 2HG1 ILE 40 -3.149 -6.965 16.175 305 1HG2 ILE 40 2HG2 ILE 40 -4.943 -8.742 14.243 306 2HG2 ILE 40 3HG2 ILE 40 -5.165 -7.081 14.833 307 3HG2 ILE 40 1HG2 ILE 40 -5.111 -7.394 13.104 308 1HD1 ILE 40 1HD1 ILE 40 -3.681 -9.407 16.125 309 2HD1 ILE 40 2HD1 ILE 40 -2.046 -9.730 15.497 310 3HD1 ILE 40 3HD1 ILE 40 -2.258 -9.033 17.109 311 H LEU 41 H LEU 41 -2.276 -6.326 11.524 312 HA LEU 41 HA LEU 41 -4.304 -7.163 9.631 313 1HB LEU 41 1HB LEU 41 -3.775 -4.828 10.648 314 2HB LEU 41 2HB LEU 41 -2.465 -4.751 9.472 315 HG LEU 41 HG LEU 41 -4.158 -4.944 7.637 316 1HD1 LEU 41 1HD1 LEU 41 -6.177 -4.835 9.927 317 2HD1 LEU 41 2HD1 LEU 41 -6.577 -4.566 8.228 318 3HD1 LEU 41 3HD1 LEU 41 -5.995 -6.147 8.743 319 1HD2 LEU 41 3HD2 LEU 41 -3.381 -2.742 8.527 320 2HD2 LEU 41 1HD2 LEU 41 -5.028 -2.678 7.884 321 3HD2 LEU 41 2HD2 LEU 41 -4.769 -2.735 9.639 322 H ARG 42 H ARG 42 -1.170 -8.112 9.795 323 HA ARG 42 HA ARG 42 -0.099 -7.989 7.248 324 1HB ARG 42 1HB ARG 42 1.137 -8.908 9.118 325 2HB ARG 42 2HB ARG 42 0.015 -10.263 9.296 326 1HG ARG 42 1HG ARG 42 0.787 -11.278 7.224 327 2HG ARG 42 2HG ARG 42 1.629 -9.794 6.781 328 1HD ARG 42 1HD ARG 42 3.363 -11.186 7.394 329 2HD ARG 42 2HD ARG 42 3.132 -10.165 8.809 330 HE ARG 42 HE ARG 42 1.677 -12.527 9.232 331 1HH1 ARG 42 2HH2 ARG 42 5.157 -11.464 8.860 332 2HH1 ARG 42 1HH2 ARG 42 5.751 -12.741 9.771 333 1HH2 ARG 42 2HH1 ARG 42 2.604 -14.267 10.510 334 2HH2 ARG 42 1HH1 ARG 42 4.307 -14.340 10.733 335 H GLY 43 H GLY 43 -2.527 -10.294 8.504 336 1HA GLY 43 1HA GLY 43 -2.703 -11.965 6.218 337 2HA GLY 43 2HA GLY 43 -3.957 -11.749 7.447 338 H LEU 44 H LEU 44 -4.065 -8.728 6.772 339 HA LEU 44 HA LEU 44 -5.940 -9.009 4.527 340 1HB LEU 44 1HB LEU 44 -6.492 -7.831 6.700 341 2HB LEU 44 2HB LEU 44 -5.428 -6.523 6.200 342 HG LEU 44 HG LEU 44 -7.573 -7.499 4.279 343 1HD1 LEU 44 1HD1 LEU 44 -8.122 -5.722 6.687 344 2HD1 LEU 44 2HD1 LEU 44 -9.230 -5.970 5.323 345 3HD1 LEU 44 3HD1 LEU 44 -8.803 -7.326 6.371 346 1HD2 LEU 44 1HD2 LEU 44 -6.464 -4.740 4.926 347 2HD2 LEU 44 2HD2 LEU 44 -6.020 -5.736 3.535 348 3HD2 LEU 44 3HD2 LEU 44 -7.666 -5.101 3.676 349 H CYS 45 H CYS 45 -3.223 -6.676 5.370 350 HA CYS 45 HA CYS 45 -2.822 -5.623 2.956 351 1HB CYS 45 1HB CYS 45 -1.836 -5.079 5.180 352 2HB CYS 45 2HB CYS 45 -0.715 -6.412 4.996 353 H LYS 46 H LYS 46 -1.102 -8.681 3.995 354 HA LYS 46 HA LYS 46 0.336 -8.873 1.519 355 1HB LYS 46 1HB LYS 46 -0.538 -11.193 3.274 356 2HB LYS 46 2HB LYS 46 0.701 -11.262 2.031 357 1HG LYS 46 1HG LYS 46 0.919 -9.515 4.503 358 2HG LYS 46 2HG LYS 46 1.436 -11.178 4.486 359 1HD LYS 46 1HD LYS 46 2.654 -9.151 2.577 360 2HD LYS 46 2HD LYS 46 3.156 -9.306 4.261 361 1HE LYS 46 1HE LYS 46 3.400 -11.892 3.610 362 2HE LYS 46 2HE LYS 46 3.611 -11.204 1.993 363 1HZ LYS 46 3HZ LYS 46 5.388 -9.753 3.136 364 2HZ LYS 46 1HZ LYS 46 5.270 -10.799 4.414 365 3HZ LYS 46 2HZ LYS 46 5.740 -11.354 2.973 366 H LYS 47 H LYS 47 -2.971 -9.867 2.392 367 HA LYS 47 HA LYS 47 -3.424 -11.394 -0.026 368 1HB LYS 47 1HB LYS 47 -4.644 -11.682 2.149 369 2HB LYS 47 2HB LYS 47 -5.489 -10.152 1.845 370 1HG LYS 47 1HG LYS 47 -6.398 -11.104 -0.267 371 2HG LYS 47 2HG LYS 47 -5.581 -12.632 0.075 372 1HD LYS 47 1HD LYS 47 -7.769 -11.352 1.792 373 2HD LYS 47 2HD LYS 47 -7.985 -12.642 0.620 374 1HE LYS 47 1HE LYS 47 -7.876 -13.924 2.484 375 2HE LYS 47 2HE LYS 47 -6.172 -13.931 2.035 376 1HZ LYS 47 1HZ LYS 47 -7.433 -12.204 4.089 377 2HZ LYS 47 2HZ LYS 47 -6.491 -13.509 4.381 378 3HZ LYS 47 3HZ LYS 47 -5.830 -12.162 3.724 379 H ILE 48 H ILE 48 -4.016 -7.966 0.916 380 HA ILE 48 HA ILE 48 -5.380 -7.115 -1.429 381 HB ILE 48 HB ILE 48 -3.400 -5.708 0.392 382 1HG1 ILE 48 1HG1 ILE 48 -5.780 -6.421 1.190 383 2HG1 ILE 48 2HG1 ILE 48 -5.079 -4.862 1.614 384 1HG2 ILE 48 2HG2 ILE 48 -4.965 -4.340 -1.803 385 2HG2 ILE 48 3HG2 ILE 48 -4.058 -3.539 -0.507 386 3HG2 ILE 48 1HG2 ILE 48 -3.204 -4.516 -1.696 387 1HD1 ILE 48 3HD1 ILE 48 -7.107 -5.234 -0.613 388 2HD1 ILE 48 1HD1 ILE 48 -7.478 -4.732 1.053 389 3HD1 ILE 48 2HD1 ILE 48 -6.481 -3.694 0.037 390 H MET 49 H MET 49 -1.838 -7.235 -0.719 391 HA MET 49 HA MET 49 -1.025 -6.491 -3.359 392 1HB MET 49 1HB MET 49 0.413 -7.865 -1.076 393 2HB MET 49 2HB MET 49 1.191 -7.416 -2.610 394 1HG MET 49 1HG MET 49 0.383 -5.082 -2.351 395 2HG MET 49 2HG MET 49 -0.409 -5.524 -0.839 396 1HE MET 49 3HE MET 49 0.286 -3.857 0.566 397 2HE MET 49 1HE MET 49 1.937 -3.274 0.821 398 3HE MET 49 2HE MET 49 1.130 -2.989 -0.735 399 H ARG 50 H ARG 50 -1.651 -9.822 -2.036 400 HA ARG 50 HA ARG 50 -0.731 -11.216 -4.293 401 1HB ARG 50 1HB ARG 50 -1.798 -12.098 -2.119 402 2HB ARG 50 2HB ARG 50 -3.358 -11.921 -2.892 403 1HG ARG 50 1HG ARG 50 -1.172 -13.567 -4.230 404 2HG ARG 50 2HG ARG 50 -2.030 -14.201 -2.844 405 1HD ARG 50 1HD ARG 50 -3.115 -15.145 -4.672 406 2HD ARG 50 2HD ARG 50 -4.215 -13.887 -4.079 407 HE ARG 50 HE ARG 50 -2.590 -12.730 -6.053 408 1HH1 ARG 50 2HH2 ARG 50 -5.007 -15.329 -6.101 409 2HH1 ARG 50 1HH2 ARG 50 -5.607 -14.904 -7.661 410 1HH2 ARG 50 2HH1 ARG 50 -3.367 -12.136 -8.000 411 2HH2 ARG 50 1HH1 ARG 50 -4.598 -13.028 -8.822 412 H SER 51 H SER 51 -3.814 -9.463 -3.895 413 HA SER 51 HA SER 51 -4.703 -10.264 -6.575 414 1HB SER 51 1HB SER 51 -6.092 -10.098 -4.413 415 2HB SER 51 2HB SER 51 -6.051 -8.345 -4.648 416 HG SER 51 HG SER 51 -7.136 -8.622 -6.577 417 H PHE 52 H PHE 52 -3.283 -7.333 -5.065 418 HA PHE 52 HA PHE 52 -3.437 -5.967 -7.722 419 1HB PHE 52 1HB PHE 52 -3.973 -4.577 -5.086 420 2HB PHE 52 2HB PHE 52 -4.402 -4.049 -6.696 421 HD1 PHE 52 HD1 PHE 52 -6.230 -5.636 -7.944 422 HD2 PHE 52 HD2 PHE 52 -5.627 -5.325 -3.687 423 HE1 PHE 52 HE1 PHE 52 -8.566 -6.374 -7.545 424 HE2 PHE 52 HE2 PHE 52 -7.965 -6.054 -3.298 425 HZ PHE 52 HZ PHE 52 -9.434 -6.583 -5.229 426 H LEU 53 H LEU 53 -0.919 -7.154 -6.447 427 HA LEU 53 HA LEU 53 0.465 -5.328 -4.950 428 1HB LEU 53 1HB LEU 53 1.144 -7.730 -5.713 429 2HB LEU 53 2HB LEU 53 1.871 -6.966 -7.086 430 HG LEU 53 HG LEU 53 2.512 -6.449 -4.147 431 1HD1 LEU 53 3HD1 LEU 53 3.167 -8.682 -4.944 432 2HD1 LEU 53 1HD1 LEU 53 4.093 -7.941 -6.270 433 3HD1 LEU 53 2HD1 LEU 53 4.581 -7.681 -4.584 434 1HD2 LEU 53 2HD2 LEU 53 3.863 -5.273 -6.595 435 2HD2 LEU 53 3HD2 LEU 53 3.131 -4.418 -5.205 436 3HD2 LEU 53 1HD2 LEU 53 4.597 -5.333 -4.980 437 H ARG 54 H ARG 54 0.993 -5.545 -8.580 438 HA ARG 54 HA ARG 54 2.534 -3.168 -8.477 439 1HB ARG 54 1HB ARG 54 2.527 -4.918 -10.329 440 2HB ARG 54 2HB ARG 54 1.130 -4.062 -11.015 441 1HG ARG 54 1HG ARG 54 2.463 -2.000 -11.225 442 2HG ARG 54 2HG ARG 54 3.786 -2.732 -10.307 443 1HD ARG 54 1HD ARG 54 4.131 -4.377 -12.139 444 2HD ARG 54 2HD ARG 54 2.856 -3.559 -13.076 445 HE ARG 54 HE ARG 54 4.983 -1.782 -12.114 446 1HH1 ARG 54 2HH2 ARG 54 4.233 -4.012 -14.779 447 2HH1 ARG 54 1HH2 ARG 54 5.310 -3.231 -15.888 448 1HH2 ARG 54 2HH1 ARG 54 6.307 -0.825 -13.467 449 2HH2 ARG 54 1HH1 ARG 54 6.588 -1.293 -15.127 450 H ARG 55 H ARG 55 -0.996 -3.405 -8.259 451 HA ARG 55 HA ARG 55 -1.412 -0.760 -9.309 452 1HB ARG 55 1HB ARG 55 -3.140 -2.747 -7.901 453 2HB ARG 55 2HB ARG 55 -3.563 -1.058 -7.964 454 1HG ARG 55 1HG ARG 55 -2.852 -1.441 -10.599 455 2HG ARG 55 2HG ARG 55 -3.352 -3.068 -10.140 456 1HD ARG 55 1HD ARG 55 -5.172 -2.156 -11.148 457 2HD ARG 55 2HD ARG 55 -5.533 -2.001 -9.403 458 HE ARG 55 HE ARG 55 -4.391 0.426 -10.252 459 1HH1 ARG 55 2HH2 ARG 55 -7.436 -1.299 -11.066 460 2HH1 ARG 55 1HH2 ARG 55 -8.320 0.190 -11.161 461 1HH2 ARG 55 2HH1 ARG 55 -5.647 2.302 -10.414 462 2HH2 ARG 55 1HH1 ARG 55 -7.318 2.241 -10.516 463 H ILE 56 H ILE 56 -0.752 -2.280 -6.046 464 HA ILE 56 HA ILE 56 -0.953 0.239 -4.667 465 HB ILE 56 HB ILE 56 0.748 -2.131 -3.845 466 1HG1 ILE 56 1HG1 ILE 56 -1.373 -3.102 -4.034 467 2HG1 ILE 56 2HG1 ILE 56 -1.278 -2.635 -2.354 468 1HG2 ILE 56 1HG2 ILE 56 -0.390 0.277 -2.374 469 2HG2 ILE 56 2HG2 ILE 56 0.254 -1.149 -1.537 470 3HG2 ILE 56 3HG2 ILE 56 1.307 -0.177 -2.565 471 1HD1 ILE 56 2HD1 ILE 56 -2.647 -0.551 -2.962 472 2HD1 ILE 56 3HD1 ILE 56 -2.884 -1.279 -4.561 473 3HD1 ILE 56 1HD1 ILE 56 -3.489 -2.109 -3.133 474 H SER 57 H SER 57 1.600 -1.168 -6.700 475 HA SER 57 HA SER 57 3.596 0.735 -5.962 476 1HB SER 57 1HB SER 57 3.865 -1.480 -7.247 477 2HB SER 57 2HB SER 57 3.386 -0.561 -8.689 478 HG SER 57 HG SER 57 5.532 -0.540 -8.556 479 H TRP 58 H TRP 58 1.438 0.648 -8.877 480 HA TRP 58 HA TRP 58 1.800 3.213 -9.857 481 1HB TRP 58 1HB TRP 58 0.366 2.163 -11.251 482 2HB TRP 58 2HB TRP 58 -0.374 1.222 -9.971 483 HD1 TRP 58 HD1 TRP 58 -0.596 4.864 -11.289 484 HE1 TRP 58 HE1 TRP 58 -2.866 5.815 -10.791 485 HE3 TRP 58 HE3 TRP 58 -2.585 0.863 -8.889 486 HZ2 TRP 58 HZ2 TRP 58 -5.316 4.931 -9.300 487 HZ3 TRP 58 HZ3 TRP 58 -4.712 1.005 -7.720 488 HH2 TRP 58 HH2 TRP 58 -6.096 2.992 -7.883 489 H ASP 59 H ASP 59 -0.394 2.298 -7.224 490 HA ASP 59 HA ASP 59 -1.685 4.713 -6.758 491 1HB ASP 59 1HB ASP 59 -0.861 2.440 -4.888 492 2HB ASP 59 2HB ASP 59 -1.667 3.833 -4.273 493 HD2 ASP 59 HD2 ASP 59 -4.142 1.357 -5.636 494 H ILE 60 H ILE 60 1.272 3.581 -5.074 495 HA ILE 60 HA ILE 60 1.790 6.083 -3.763 496 HB ILE 60 HB ILE 60 3.180 3.452 -4.127 497 1HG1 ILE 60 1HG1 ILE 60 3.188 3.397 -1.708 498 2HG1 ILE 60 2HG1 ILE 60 2.598 5.051 -1.600 499 1HG2 ILE 60 3HG2 ILE 60 4.519 5.900 -2.924 500 2HG2 ILE 60 1HG2 ILE 60 5.090 4.221 -2.780 501 3HG2 ILE 60 2HG2 ILE 60 5.039 4.991 -4.364 502 1HD1 ILE 60 1HD1 ILE 60 0.995 2.717 -2.707 503 2HD1 ILE 60 2HD1 ILE 60 0.910 3.345 -1.057 504 3HD1 ILE 60 3HD1 ILE 60 0.404 4.375 -2.405 505 H LEU 61 H LEU 61 3.103 4.587 -6.773 506 HA LEU 61 HA LEU 61 5.054 6.556 -7.272 507 1HB LEU 61 1HB LEU 61 3.472 4.805 -9.188 508 2HB LEU 61 2HB LEU 61 4.825 5.805 -9.699 509 HG LEU 61 HG LEU 61 5.122 3.663 -7.557 510 1HD1 LEU 61 3HD1 LEU 61 4.348 2.613 -9.658 511 2HD1 LEU 61 1HD1 LEU 61 5.649 3.428 -10.554 512 3HD1 LEU 61 2HD1 LEU 61 6.027 2.205 -9.321 513 1HD2 LEU 61 2HD2 LEU 61 6.930 5.388 -7.636 514 2HD2 LEU 61 3HD2 LEU 61 7.472 3.767 -8.054 515 3HD2 LEU 61 1HD2 LEU 61 7.216 4.974 -9.336 516 H THR 62 H THR 62 1.605 6.556 -8.212 517 HA THR 62 HA THR 62 1.895 9.164 -9.554 518 HB THR 62 HB THR 62 -0.582 8.994 -9.848 519 HG1 THR 62 HG1 THR 62 -0.216 6.398 -8.738 520 1HG2 THR 62 3HG2 THR 62 1.009 8.223 -11.561 521 2HG2 THR 62 1HG2 THR 62 1.019 6.602 -10.843 522 3HG2 THR 62 2HG2 THR 62 -0.476 7.263 -11.556 523 H GLY 63 H GLY 63 2.312 8.581 -6.514 524 1HA GLY 63 1HA GLY 63 1.811 9.351 -4.465 525 2HA GLY 63 2HA GLY 63 1.952 10.919 -5.277 526 H LYS 64 H LYS 64 -0.612 8.344 -5.427 527 HA LYS 64 HA LYS 64 -2.584 10.536 -5.169 528 1HB LYS 64 1HB LYS 64 -2.852 8.846 -6.897 529 2HB LYS 64 2HB LYS 64 -2.833 7.534 -5.719 530 1HG LYS 64 1HG LYS 64 -5.021 7.826 -5.143 531 2HG LYS 64 2HG LYS 64 -4.926 9.583 -5.211 532 1HD LYS 64 1HD LYS 64 -6.502 8.611 -6.848 533 2HD LYS 64 2HD LYS 64 -5.259 9.646 -7.559 534 1HE LYS 64 1HE LYS 64 -4.021 7.722 -8.385 535 2HE LYS 64 2HE LYS 64 -5.101 6.596 -7.547 536 1HZ LYS 64 1HZ LYS 64 -6.152 8.457 -9.594 537 2HZ LYS 64 2HZ LYS 64 -5.577 6.957 -9.967 538 3HZ LYS 64 3HZ LYS 64 -6.834 7.063 -9.004 539 H LYS 65 H LYS 65 -3.944 10.683 -3.348 540 HA LYS 65 HA LYS 65 -2.575 9.794 -0.943 541 1HB LYS 65 1HB LYS 65 -5.176 11.339 -1.317 542 2HB LYS 65 2HB LYS 65 -4.438 11.051 0.248 543 1HG LYS 65 1HG LYS 65 -3.274 12.689 -2.046 544 2HG LYS 65 2HG LYS 65 -3.831 13.245 -0.478 545 1HD LYS 65 1HD LYS 65 -1.588 13.303 -0.078 546 2HD LYS 65 2HD LYS 65 -1.904 11.650 0.453 547 1HE LYS 65 1HE LYS 65 -1.252 10.931 -1.952 548 2HE LYS 65 2HE LYS 65 -0.727 12.589 -2.219 549 1HZ LYS 65 1HZ LYS 65 0.301 10.733 -0.149 550 2HZ LYS 65 2HZ LYS 65 1.065 11.110 -1.544 551 3HZ LYS 65 3HZ LYS 65 0.855 12.260 -0.379 552 HA PRO 66 HA PRO 66 -4.183 5.986 0.090 553 1HB PRO 66 1HB PRO 66 -5.005 6.248 2.789 554 2HB PRO 66 2HB PRO 66 -3.344 5.971 2.217 555 1HG PRO 66 1HG PRO 66 -4.650 8.613 2.868 556 2HG PRO 66 2HG PRO 66 -3.012 8.026 3.306 557 1HD PRO 66 1HD PRO 66 -3.217 9.667 1.277 558 2HD PRO 66 2HD PRO 66 -2.247 8.181 1.048 559 H GLN 67 H GLN 67 -6.414 8.432 1.442 560 HA GLN 67 HA GLN 67 -8.664 6.707 1.483 561 1HB GLN 67 1HB GLN 67 -8.201 8.932 2.671 562 2HB GLN 67 2HB GLN 67 -8.743 9.741 1.197 563 1HG GLN 67 1HG GLN 67 -10.964 8.810 1.421 564 2HG GLN 67 2HG GLN 67 -10.433 7.668 2.665 565 1HE2 GLN 67 2HE2 GLN 67 -11.924 11.065 4.000 566 2HE2 GLN 67 1HE2 GLN 67 -12.309 10.316 2.469 567 H ALA 68 H ALA 68 -7.206 8.513 -1.177 568 HA ALA 68 HA ALA 68 -9.538 8.132 -2.935 569 1HB ALA 68 1HB ALA 68 -8.145 10.148 -3.218 570 2HB ALA 68 2HB ALA 68 -6.716 9.133 -3.529 571 3HB ALA 68 3HB ALA 68 -8.085 9.112 -4.656 572 H ILE 69 H ILE 69 -6.246 6.728 -2.395 573 HA ILE 69 HA ILE 69 -6.163 4.945 -4.550 574 HB ILE 69 HB ILE 69 -5.066 4.832 -1.715 575 1HG1 ILE 69 1HG1 ILE 69 -3.649 5.194 -4.373 576 2HG1 ILE 69 2HG1 ILE 69 -4.207 6.506 -3.406 577 1HG2 ILE 69 2HG2 ILE 69 -4.922 2.666 -3.791 578 2HG2 ILE 69 3HG2 ILE 69 -3.591 2.874 -2.641 579 3HG2 ILE 69 1HG2 ILE 69 -5.216 2.543 -2.059 580 1HD1 ILE 69 3HD1 ILE 69 -2.273 4.483 -2.231 581 2HD1 ILE 69 1HD1 ILE 69 -1.753 5.869 -3.180 582 3HD1 ILE 69 2HD1 ILE 69 -2.668 6.126 -1.687 583 H CYS 70 H CYS 70 -7.500 4.276 -1.306 584 HA CYS 70 HA CYS 70 -8.433 1.599 -1.840 585 1HB CYS 70 1HB CYS 70 -9.496 3.807 0.026 586 2HB CYS 70 2HB CYS 70 -9.755 2.087 0.248 587 H VAL 71 H VAL 71 -10.114 4.830 -2.412 588 HA VAL 71 HA VAL 71 -12.514 3.370 -3.151 589 HB VAL 71 HB VAL 71 -11.787 6.281 -3.497 590 1HG1 VAL 71 3HG1 VAL 71 -13.651 5.523 -5.052 591 2HG1 VAL 71 1HG1 VAL 71 -14.559 5.003 -3.617 592 3HG1 VAL 71 2HG1 VAL 71 -14.156 6.711 -3.843 593 1HG2 VAL 71 1HG2 VAL 71 -11.972 5.501 -1.094 594 2HG2 VAL 71 2HG2 VAL 71 -13.265 6.614 -1.539 595 3HG2 VAL 71 3HG2 VAL 71 -13.589 4.874 -1.457 596 H ASP 72 H ASP 72 -9.688 4.617 -4.956 597 HA ASP 72 HA ASP 72 -10.723 4.344 -7.562 598 1HB ASP 72 1HB ASP 72 -8.649 5.538 -6.849 599 2HB ASP 72 2HB ASP 72 -7.847 3.994 -6.623 600 H ILE 73 H ILE 73 -8.799 1.954 -5.672 601 HA ILE 73 HA ILE 73 -9.387 -0.061 -7.767 602 HB ILE 73 HB ILE 73 -7.945 -1.556 -6.221 603 1HG1 ILE 73 1HG1 ILE 73 -6.770 1.116 -5.428 604 2HG1 ILE 73 2HG1 ILE 73 -7.871 0.212 -4.360 605 1HG2 ILE 73 3HG2 ILE 73 -6.937 0.671 -7.963 606 2HG2 ILE 73 1HG2 ILE 73 -5.999 -0.792 -7.504 607 3HG2 ILE 73 2HG2 ILE 73 -7.473 -0.952 -8.446 608 1HD1 ILE 73 1HD1 ILE 73 -6.344 -1.760 -4.573 609 2HD1 ILE 73 2HD1 ILE 73 -5.208 -0.722 -5.469 610 3HD1 ILE 73 3HD1 ILE 73 -5.616 -0.333 -3.780 611 H LYS 74 H LYS 74 -10.933 0.997 -5.249 612 HA LYS 74 HA LYS 74 -13.002 0.596 -4.505 613 1HB LYS 74 1HB LYS 74 -13.322 -0.438 -6.825 614 2HB LYS 74 2HB LYS 74 -13.036 -2.012 -6.071 615 1HG LYS 74 1HG LYS 74 -14.922 -1.036 -4.382 616 2HG LYS 74 2HG LYS 74 -15.310 -0.156 -5.882 617 1HD LYS 74 1HD LYS 74 -15.621 -2.320 -7.048 618 2HD LYS 74 2HD LYS 74 -15.171 -3.107 -5.516 619 1HE LYS 74 1HE LYS 74 -17.599 -3.148 -5.633 620 2HE LYS 74 2HE LYS 74 -17.078 -2.023 -4.371 621 1HZ LYS 74 1HZ LYS 74 -17.371 -0.245 -6.079 622 2HZ LYS 74 2HZ LYS 74 -18.253 -1.327 -6.978 623 3HZ LYS 74 3HZ LYS 74 -18.686 -0.859 -5.440 624 H ILE 75 H ILE 75 -12.136 0.503 -2.464 625 HA ILE 75 HA ILE 75 -11.956 -2.224 -1.184 626 HB ILE 75 HB ILE 75 -10.302 0.268 -0.556 627 1HG1 ILE 75 1HG1 ILE 75 -9.612 -0.421 -2.863 628 2HG1 ILE 75 2HG1 ILE 75 -8.359 -0.471 -1.648 629 1HG2 ILE 75 3HG2 ILE 75 -10.156 -2.648 0.236 630 2HG2 ILE 75 1HG2 ILE 75 -8.740 -1.611 0.370 631 3HG2 ILE 75 2HG2 ILE 75 -10.207 -1.198 1.273 632 1HD1 ILE 75 3HD1 ILE 75 -9.809 -2.878 -2.648 633 2HD1 ILE 75 1HD1 ILE 75 -8.266 -2.225 -3.279 634 3HD1 ILE 75 2HD1 ILE 75 -8.340 -2.806 -1.601 635 H CYS 76 H CYS 76 -13.267 1.114 -1.020 636 HA CYS 76 HA CYS 76 -13.402 1.012 1.900 637 1HB CYS 76 1HB CYS 76 -12.449 3.041 0.783 638 2HB CYS 76 2HB CYS 76 -14.008 3.328 0.053 639 H LYS 77 H LYS 77 -15.595 2.495 -0.371 640 HA LYS 77 HA LYS 77 -17.748 0.801 -0.029 641 1HB LYS 77 1HB LYS 77 -18.167 1.584 2.174 642 2HB LYS 77 2HB LYS 77 -17.893 3.262 1.730 643 1HG LYS 77 1HG LYS 77 -20.291 2.536 2.250 644 2HG LYS 77 2HG LYS 77 -19.998 3.555 0.877 645 1HD LYS 77 1HD LYS 77 -20.052 1.086 -0.393 646 2HD LYS 77 2HD LYS 77 -21.074 0.775 1.001 647 1HE LYS 77 1HE LYS 77 -22.512 1.545 -0.760 648 2HE LYS 77 2HE LYS 77 -22.379 2.881 0.396 649 1HZ LYS 77 1HZ LYS 77 -20.523 3.683 -1.200 650 2HZ LYS 77 2HZ LYS 77 -21.078 2.610 -2.246 651 3HZ LYS 77 3HZ LYS 77 -22.083 3.791 -1.777 652 H GLU 78 H GLU 78 -16.950 1.068 -2.084 653 HA GLU 78 HA GLU 78 -18.044 3.193 -3.759 654 1HB GLU 78 1HB GLU 78 -16.803 0.484 -4.361 655 2HB GLU 78 2HB GLU 78 -17.032 1.794 -5.524 656 1HG GLU 78 1HG GLU 78 -14.728 1.675 -4.932 657 2HG GLU 78 2HG GLU 78 -15.389 3.127 -4.220 No H/Q in entry = 657 Start of MODEL 6 1 1H GLY 1 2H GLY 1 -16.643 -0.384 4.693 2 2H GLY 1 3H GLY 1 -15.704 -1.095 3.562 3 3H GLY 1 1H GLY 1 -17.307 -1.439 3.610 4 1HA GLY 1 1HA GLY 1 -17.109 -2.535 5.735 5 2HA GLY 1 2HA GLY 1 -15.999 -3.253 4.550 6 H TYR 2 H TYR 2 -15.269 -3.732 7.154 7 HA TYR 2 HA TYR 2 -13.487 -2.029 8.453 8 1HB TYR 2 1HB TYR 2 -14.068 -4.171 9.358 9 2HB TYR 2 2HB TYR 2 -13.483 -5.018 7.934 10 HD1 TYR 2 HD1 TYR 2 -12.118 -2.644 10.568 11 HD2 TYR 2 HD2 TYR 2 -11.461 -6.177 8.159 12 HE1 TYR 2 HE1 TYR 2 -9.958 -3.002 11.681 13 HE2 TYR 2 HE2 TYR 2 -9.295 -6.536 9.291 14 HH TYR 2 HH TYR 2 -8.134 -4.422 11.921 15 H PHE 3 H PHE 3 -13.065 -3.842 5.469 16 HA PHE 3 HA PHE 3 -10.447 -3.576 4.811 17 1HB PHE 3 1HB PHE 3 -12.983 -3.334 3.181 18 2HB PHE 3 2HB PHE 3 -11.425 -3.157 2.443 19 HD1 PHE 3 HD1 PHE 3 -9.663 -4.939 2.716 20 HD2 PHE 3 HD2 PHE 3 -13.889 -5.589 3.324 21 HE1 PHE 3 HE1 PHE 3 -9.358 -7.347 2.229 22 HE2 PHE 3 HE2 PHE 3 -13.577 -7.996 2.829 23 HZ PHE 3 HZ PHE 3 -11.331 -8.870 2.268 24 H CYS 4 H CYS 4 -12.807 -0.838 4.783 25 HA CYS 4 HA CYS 4 -11.201 0.861 3.165 26 1HB CYS 4 1HB CYS 4 -13.654 1.268 3.768 27 2HB CYS 4 2HB CYS 4 -13.119 1.766 5.362 28 H GLU 5 H GLU 5 -11.513 0.714 6.774 29 HA GLU 5 HA GLU 5 -9.503 2.678 7.258 30 1HB GLU 5 1HB GLU 5 -11.335 1.762 8.837 31 2HB GLU 5 2HB GLU 5 -10.241 0.420 9.164 32 1HG GLU 5 1HG GLU 5 -9.699 3.397 9.592 33 2HG GLU 5 2HG GLU 5 -10.070 2.225 10.852 34 H SER 6 H SER 6 -9.449 -0.895 7.235 35 HA SER 6 HA SER 6 -6.781 -1.385 7.808 36 1HB SER 6 1HB SER 6 -8.444 -2.811 5.683 37 2HB SER 6 2HB SER 6 -7.018 -3.445 6.506 38 HG SER 6 HG SER 6 -9.515 -2.776 7.733 39 H CYS 7 H CYS 7 -8.161 -0.779 4.541 40 HA CYS 7 HA CYS 7 -5.738 -0.841 3.073 41 1HB CYS 7 1HB CYS 7 -7.927 -1.092 2.096 42 2HB CYS 7 2HB CYS 7 -8.416 0.518 2.594 43 H ARG 8 H ARG 8 -7.567 1.905 4.532 44 HA ARG 8 HA ARG 8 -5.901 3.960 3.575 45 1HB ARG 8 1HB ARG 8 -8.183 4.139 4.771 46 2HB ARG 8 2HB ARG 8 -7.297 3.956 6.293 47 1HG ARG 8 1HG ARG 8 -5.872 5.964 5.514 48 2HG ARG 8 2HG ARG 8 -7.070 6.167 4.220 49 1HD ARG 8 1HD ARG 8 -8.861 6.281 6.002 50 2HD ARG 8 2HD ARG 8 -7.589 6.295 7.230 51 HE ARG 8 HE ARG 8 -8.508 8.405 5.508 52 1HH1 ARG 8 2HH2 ARG 8 -5.639 7.311 7.302 53 2HH1 ARG 8 1HH2 ARG 8 -4.718 8.753 7.074 54 1HH2 ARG 8 2HH1 ARG 8 -7.472 10.532 5.643 55 2HH2 ARG 8 1HH1 ARG 8 -5.892 10.683 6.332 56 H LYS 9 H LYS 9 -5.728 2.157 6.679 57 HA LYS 9 HA LYS 9 -3.351 3.364 7.654 58 1HB LYS 9 1HB LYS 9 -5.002 2.089 8.974 59 2HB LYS 9 2HB LYS 9 -4.549 0.596 8.152 60 1HG LYS 9 1HG LYS 9 -2.293 0.720 9.070 61 2HG LYS 9 2HG LYS 9 -2.631 2.280 9.829 62 1HD LYS 9 1HD LYS 9 -4.296 -0.185 10.508 63 2HD LYS 9 2HD LYS 9 -2.707 0.071 11.217 64 1HE LYS 9 1HE LYS 9 -4.135 0.933 12.822 65 2HE LYS 9 2HE LYS 9 -3.494 2.363 12.006 66 1HZ LYS 9 2HZ LYS 9 -6.183 1.185 11.431 67 2HZ LYS 9 3HZ LYS 9 -5.914 2.462 12.416 68 3HZ LYS 9 1HZ LYS 9 -5.656 2.526 10.815 69 H ILE 10 H ILE 10 -3.821 0.396 5.692 70 HA ILE 10 HA ILE 10 -1.122 -0.423 5.649 71 HB ILE 10 HB ILE 10 -3.486 -0.981 3.857 72 1HG1 ILE 10 1HG1 ILE 10 -1.886 -2.856 5.666 73 2HG1 ILE 10 2HG1 ILE 10 -3.172 -1.860 6.310 74 1HG2 ILE 10 2HG2 ILE 10 -0.697 -2.179 3.621 75 2HG2 ILE 10 3HG2 ILE 10 -2.145 -2.853 2.843 76 3HG2 ILE 10 1HG2 ILE 10 -1.563 -1.261 2.373 77 1HD1 ILE 10 2HD1 ILE 10 -4.792 -2.899 4.709 78 2HD1 ILE 10 3HD1 ILE 10 -3.508 -3.980 4.161 79 3HD1 ILE 10 1HD1 ILE 10 -4.062 -4.056 5.830 80 H ILE 11 H ILE 11 -2.898 1.618 3.225 81 HA ILE 11 HA ILE 11 -0.528 2.129 1.686 82 HB ILE 11 HB ILE 11 -3.156 3.631 1.956 83 1HG1 ILE 11 1HG1 ILE 11 -3.493 1.533 0.793 84 2HG1 ILE 11 2HG1 ILE 11 -3.599 2.857 -0.354 85 1HG2 ILE 11 1HG2 ILE 11 -0.878 4.245 0.029 86 2HG2 ILE 11 2HG2 ILE 11 -2.518 4.915 -0.049 87 3HG2 ILE 11 3HG2 ILE 11 -1.481 5.296 1.312 88 1HD1 ILE 11 3HD1 ILE 11 -1.195 1.015 -0.055 89 2HD1 ILE 11 1HD1 ILE 11 -2.469 0.901 -1.275 90 3HD1 ILE 11 2HD1 ILE 11 -1.413 2.313 -1.262 91 H GLN 12 H GLN 12 -2.068 4.032 4.378 92 HA GLN 12 HA GLN 12 -0.315 6.199 4.215 93 1HB GLN 12 1HB GLN 12 -1.753 4.969 6.590 94 2HB GLN 12 2HB GLN 12 -0.782 6.429 6.756 95 1HG GLN 12 1HG GLN 12 -2.802 6.418 4.547 96 2HG GLN 12 2HG GLN 12 -3.414 6.450 6.193 97 1HE2 GLN 12 2HE2 GLN 12 -1.202 9.748 5.020 98 2HE2 GLN 12 1HE2 GLN 12 -0.920 8.310 4.101 99 H LYS 13 H LYS 13 0.204 3.175 6.203 100 HA LYS 13 HA LYS 13 2.686 4.321 7.071 101 1HB LYS 13 1HB LYS 13 1.414 2.602 8.387 102 2HB LYS 13 2HB LYS 13 2.023 1.375 7.272 103 1HG LYS 13 1HG LYS 13 3.287 1.650 9.470 104 2HG LYS 13 2HG LYS 13 4.281 1.691 8.016 105 1HD LYS 13 1HD LYS 13 4.548 4.062 8.130 106 2HD LYS 13 2HD LYS 13 3.307 4.236 9.380 107 1HE LYS 13 1HE LYS 13 4.771 3.171 11.011 108 2HE LYS 13 2HE LYS 13 5.969 2.809 9.743 109 1HZ LYS 13 1HZ LYS 13 5.167 5.612 10.239 110 2HZ LYS 13 2HZ LYS 13 6.439 4.926 11.079 111 3HZ LYS 13 3HZ LYS 13 6.373 5.113 9.438 112 H LEU 14 H LEU 14 1.817 2.576 4.175 113 HA LEU 14 HA LEU 14 4.493 1.679 3.489 114 1HB LEU 14 1HB LEU 14 2.124 0.975 2.533 115 2HB LEU 14 2HB LEU 14 2.281 2.407 1.544 116 HG LEU 14 HG LEU 14 3.999 -0.073 1.552 117 1HD1 LEU 14 1HD1 LEU 14 2.021 1.222 -0.338 118 2HD1 LEU 14 2HD1 LEU 14 3.136 0.010 -0.905 119 3HD1 LEU 14 3HD1 LEU 14 1.977 -0.397 0.383 120 1HD2 LEU 14 3HD2 LEU 14 4.620 2.462 0.025 121 2HD2 LEU 14 1HD2 LEU 14 5.651 1.591 1.177 122 3HD2 LEU 14 2HD2 LEU 14 5.272 0.855 -0.373 123 H GLU 15 H GLU 15 2.409 4.421 2.655 124 HA GLU 15 HA GLU 15 4.090 5.923 0.996 125 1HB GLU 15 1HB GLU 15 1.618 6.022 1.243 126 2HB GLU 15 2HB GLU 15 1.770 6.523 2.912 127 1HG GLU 15 1HG GLU 15 2.605 8.723 2.195 128 2HG GLU 15 2HG GLU 15 2.463 8.209 0.504 129 H ASP 16 H ASP 16 3.489 6.246 4.493 130 HA ASP 16 HA ASP 16 5.433 8.177 5.181 131 1HB ASP 16 1HB ASP 16 3.755 7.507 6.754 132 2HB ASP 16 2HB ASP 16 4.089 5.806 6.501 133 H MET 17 H MET 17 5.794 4.610 5.002 134 HA MET 17 HA MET 17 8.499 4.710 5.926 135 1HB MET 17 1HB MET 17 6.813 2.575 4.571 136 2HB MET 17 2HB MET 17 8.537 2.327 4.881 137 1HG MET 17 1HG MET 17 8.266 2.673 7.241 138 2HG MET 17 2HG MET 17 6.578 3.098 7.057 139 1HE MET 17 3HE MET 17 8.450 0.068 5.213 140 2HE MET 17 1HE MET 17 7.251 -1.201 5.535 141 3HE MET 17 2HE MET 17 6.790 0.227 4.595 142 H VAL 18 H VAL 18 7.165 4.361 2.552 143 HA VAL 18 HA VAL 18 9.845 3.963 1.518 144 HB VAL 18 HB VAL 18 7.611 3.152 0.545 145 1HG1 VAL 18 2HG1 VAL 18 6.466 5.337 0.412 146 2HG1 VAL 18 3HG1 VAL 18 7.628 5.830 -0.835 147 3HG1 VAL 18 1HG1 VAL 18 6.552 4.465 -1.137 148 1HG2 VAL 18 2HG2 VAL 18 9.876 4.212 -1.122 149 2HG2 VAL 18 3HG2 VAL 18 9.609 2.589 -0.468 150 3HG2 VAL 18 1HG2 VAL 18 8.564 3.181 -1.762 151 H GLY 19 H GLY 19 7.723 6.724 2.170 152 1HA GLY 19 1HA GLY 19 8.276 8.886 2.482 153 2HA GLY 19 2HA GLY 19 9.938 8.576 1.940 154 HA PRO 20 HA PRO 20 7.566 10.735 -1.454 155 1HB PRO 20 1HB PRO 20 9.217 12.831 -1.958 156 2HB PRO 20 2HB PRO 20 8.141 12.821 -0.526 157 1HG PRO 20 1HG PRO 20 11.077 12.048 -0.655 158 2HG PRO 20 2HG PRO 20 10.279 13.162 0.503 159 1HD PRO 20 1HD PRO 20 10.749 10.501 1.022 160 2HD PRO 20 2HD PRO 20 9.313 11.380 1.687 161 H GLN 21 H GLN 21 8.228 11.186 -3.537 162 HA GLN 21 HA GLN 21 8.656 10.063 -5.547 163 1HB GLN 21 1HB GLN 21 11.364 11.282 -4.903 164 2HB GLN 21 2HB GLN 21 10.644 11.024 -6.494 165 1HG GLN 21 1HG GLN 21 9.888 13.059 -4.383 166 2HG GLN 21 2HG GLN 21 10.398 13.341 -6.040 167 1HE2 GLN 21 2HE2 GLN 21 7.093 12.727 -7.381 168 2HE2 GLN 21 1HE2 GLN 21 8.799 12.740 -7.810 169 HA PRO 22 HA PRO 22 11.035 6.345 -4.067 170 1HB PRO 22 1HB PRO 22 9.161 4.483 -3.775 171 2HB PRO 22 2HB PRO 22 9.330 5.810 -2.585 172 1HG PRO 22 1HG PRO 22 7.413 5.715 -4.937 173 2HG PRO 22 2HG PRO 22 7.019 5.968 -3.202 174 1HD PRO 22 1HD PRO 22 7.440 8.076 -4.912 175 2HD PRO 22 2HD PRO 22 7.936 8.122 -3.191 176 H ASN 23 H ASN 23 10.788 3.983 -5.278 177 HA ASN 23 HA ASN 23 9.999 4.318 -8.108 178 1HB ASN 23 1HB ASN 23 12.062 3.347 -8.887 179 2HB ASN 23 2HB ASN 23 12.456 4.752 -7.897 180 1HD2 ASN 23 2HD2 ASN 23 14.074 1.253 -6.828 181 2HD2 ASN 23 1HD2 ASN 23 13.407 1.516 -8.426 182 H GLU 24 H GLU 24 9.627 2.340 -9.128 183 HA GLU 24 HA GLU 24 7.807 0.702 -8.143 184 1HB GLU 24 1HB GLU 24 8.568 1.022 -10.486 185 2HB GLU 24 2HB GLU 24 9.993 0.074 -10.147 186 1HG GLU 24 1HG GLU 24 8.703 -1.459 -11.260 187 2HG GLU 24 2HG GLU 24 8.297 -1.882 -9.605 188 H ASP 25 H ASP 25 11.325 -0.171 -7.835 189 HA ASP 25 HA ASP 25 10.648 -2.788 -6.730 190 1HB ASP 25 1HB ASP 25 12.818 -2.551 -7.791 191 2HB ASP 25 2HB ASP 25 13.281 -1.275 -6.645 192 H THR 26 H THR 26 12.071 0.221 -5.298 193 HA THR 26 HA THR 26 12.035 -0.557 -2.696 194 HB THR 26 HB THR 26 11.485 2.277 -3.686 195 HG1 THR 26 HG1 THR 26 13.422 2.238 -4.490 196 1HG2 THR 26 1HG2 THR 26 11.556 1.919 -1.177 197 2HG2 THR 26 2HG2 THR 26 13.178 1.239 -1.353 198 3HG2 THR 26 3HG2 THR 26 12.875 2.940 -1.772 199 H VAL 27 H VAL 27 9.328 0.816 -4.568 200 HA VAL 27 HA VAL 27 7.501 0.998 -2.337 201 HB VAL 27 HB VAL 27 6.904 0.632 -5.311 202 1HG1 VAL 27 2HG1 VAL 27 5.131 1.425 -2.951 203 2HG1 VAL 27 3HG1 VAL 27 4.697 1.676 -4.653 204 3HG1 VAL 27 1HG1 VAL 27 4.922 0.033 -4.038 205 1HG2 VAL 27 1HG2 VAL 27 7.012 3.139 -3.574 206 2HG2 VAL 27 2HG2 VAL 27 8.139 2.728 -4.861 207 3HG2 VAL 27 3HG2 VAL 27 6.469 3.076 -5.270 208 H THR 28 H THR 28 8.161 -1.641 -4.729 209 HA THR 28 HA THR 28 6.184 -3.428 -3.771 210 HB THR 28 HB THR 28 8.790 -3.893 -5.288 211 HG1 THR 28 HG1 THR 28 7.528 -2.704 -6.539 212 1HG2 THR 28 1HG2 THR 28 6.385 -5.719 -4.901 213 2HG2 THR 28 2HG2 THR 28 7.696 -5.965 -6.084 214 3HG2 THR 28 3HG2 THR 28 8.054 -6.022 -4.355 215 H GLN 29 H GLN 29 9.709 -3.173 -2.897 216 HA GLN 29 HA GLN 29 9.481 -5.314 -0.967 217 1HB GLN 29 1HB GLN 29 11.652 -4.526 -0.095 218 2HB GLN 29 2HB GLN 29 11.629 -4.997 -1.792 219 1HG GLN 29 1HG GLN 29 11.877 -2.807 -2.558 220 2HG GLN 29 2HG GLN 29 11.466 -2.093 -0.986 221 1HE2 GLN 29 2HE2 GLN 29 15.319 -2.850 -1.791 222 2HE2 GLN 29 1HE2 GLN 29 14.082 -2.906 -3.034 223 H ALA 30 H ALA 30 9.388 -1.703 -0.626 224 HA ALA 30 HA ALA 30 9.117 -1.694 2.170 225 1HB ALA 30 1HB ALA 30 9.615 0.349 0.896 226 2HB ALA 30 2HB ALA 30 7.984 0.313 0.178 227 3HB ALA 30 3HB ALA 30 8.187 0.574 1.920 228 H ALA 31 H ALA 31 6.639 -2.208 -0.338 229 HA ALA 31 HA ALA 31 4.406 -2.151 1.532 230 1HB ALA 31 1HB ALA 31 4.332 -1.704 -1.015 231 2HB ALA 31 2HB ALA 31 4.580 -3.420 -1.276 232 3HB ALA 31 3HB ALA 31 3.117 -2.862 -0.436 233 H SER 32 H SER 32 6.220 -4.855 -0.138 234 HA SER 32 HA SER 32 4.585 -6.879 1.151 235 1HB SER 32 1HB SER 32 6.551 -8.401 0.630 236 2HB SER 32 2HB SER 32 5.840 -7.565 -0.763 237 HG SER 32 HG SER 32 7.550 -6.152 -0.803 238 H GLN 33 H GLN 33 7.374 -5.070 2.302 239 HA GLN 33 HA GLN 33 7.044 -6.397 4.885 240 1HB GLN 33 1HB GLN 33 9.140 -4.474 3.898 241 2HB GLN 33 2HB GLN 33 9.039 -5.078 5.560 242 1HG GLN 33 1HG GLN 33 9.318 -6.831 3.062 243 2HG GLN 33 2HG GLN 33 10.602 -6.450 4.197 244 1HE2 GLN 33 2HE2 GLN 33 9.298 -8.525 6.899 245 2HE2 GLN 33 1HE2 GLN 33 10.393 -7.256 6.457 246 H VAL 34 H VAL 34 5.728 -3.456 3.448 247 HA VAL 34 HA VAL 34 5.170 -2.094 5.845 248 HB VAL 34 HB VAL 34 4.476 -1.334 3.474 249 1HG1 VAL 34 2HG1 VAL 34 2.628 -3.136 3.000 250 2HG1 VAL 34 3HG1 VAL 34 1.707 -2.258 4.183 251 3HG1 VAL 34 1HG1 VAL 34 2.266 -1.446 2.721 252 1HG2 VAL 34 1HG2 VAL 34 2.929 -0.844 5.962 253 2HG2 VAL 34 2HG2 VAL 34 4.308 0.065 5.248 254 3HG2 VAL 34 3HG2 VAL 34 2.715 0.072 4.464 255 H CYS 35 H CYS 35 3.665 -4.818 4.176 256 HA CYS 35 HA CYS 35 1.468 -5.267 5.940 257 1HB CYS 35 1HB CYS 35 3.100 -7.319 4.350 258 2HB CYS 35 2HB CYS 35 1.475 -7.548 4.982 259 H ASP 36 H ASP 36 4.767 -6.685 5.733 260 HA ASP 36 HA ASP 36 4.555 -8.430 7.966 261 1HB ASP 36 1HB ASP 36 6.426 -8.152 6.213 262 2HB ASP 36 2HB ASP 36 7.091 -6.942 7.296 263 H LYS 37 H LYS 37 5.582 -5.057 7.913 264 HA LYS 37 HA LYS 37 6.201 -4.938 10.695 265 1HB LYS 37 1HB LYS 37 7.025 -3.522 8.691 266 2HB LYS 37 2HB LYS 37 5.544 -2.572 8.868 267 1HG LYS 37 1HG LYS 37 6.215 -2.017 11.194 268 2HG LYS 37 2HG LYS 37 7.670 -3.015 11.019 269 1HD LYS 37 1HD LYS 37 7.016 -0.498 9.448 270 2HD LYS 37 2HD LYS 37 8.159 -0.612 10.788 271 1HE LYS 37 1HE LYS 37 9.584 -2.167 9.493 272 2HE LYS 37 2HE LYS 37 8.442 -2.112 8.143 273 1HZ LYS 37 3HZ LYS 37 9.990 0.207 9.132 274 2HZ LYS 37 1HZ LYS 37 10.299 -0.645 7.768 275 3HZ LYS 37 2HZ LYS 37 8.916 0.225 7.880 276 H LEU 38 H LEU 38 3.289 -4.111 8.793 277 HA LEU 38 HA LEU 38 1.760 -3.256 11.173 278 1HB LEU 38 1HB LEU 38 0.969 -3.889 8.291 279 2HB LEU 38 2HB LEU 38 -0.169 -3.375 9.529 280 HG LEU 38 HG LEU 38 2.189 -1.660 8.628 281 1HD1 LEU 38 3HD1 LEU 38 -0.735 -1.581 7.759 282 2HD1 LEU 38 1HD1 LEU 38 0.521 -0.406 7.309 283 3HD1 LEU 38 2HD1 LEU 38 0.649 -2.076 6.753 284 1HD2 LEU 38 3HD2 LEU 38 -0.330 -0.990 10.219 285 2HD2 LEU 38 1HD2 LEU 38 1.333 -1.040 10.852 286 3HD2 LEU 38 2HD2 LEU 38 0.884 0.178 9.655 287 H LYS 39 H LYS 39 2.500 -5.249 12.325 288 HA LYS 39 HA LYS 39 1.767 -7.775 11.200 289 1HB LYS 39 1HB LYS 39 2.465 -8.773 13.327 290 2HB LYS 39 2HB LYS 39 3.630 -7.611 12.705 291 1HG LYS 39 1HG LYS 39 2.792 -5.913 14.353 292 2HG LYS 39 2HG LYS 39 1.684 -7.136 15.010 293 1HD LYS 39 1HD LYS 39 3.620 -8.584 15.574 294 2HD LYS 39 2HD LYS 39 4.727 -7.381 14.879 295 1HE LYS 39 1HE LYS 39 3.941 -5.709 16.554 296 2HE LYS 39 2HE LYS 39 2.875 -6.929 17.266 297 1HZ LYS 39 2HZ LYS 39 5.831 -7.094 17.157 298 2HZ LYS 39 3HZ LYS 39 4.941 -6.736 18.487 299 3HZ LYS 39 1HZ LYS 39 4.844 -8.231 17.821 300 H ILE 40 H ILE 40 0.286 -9.331 12.178 301 HA ILE 40 HA ILE 40 -1.762 -10.090 12.745 302 HB ILE 40 HB ILE 40 -2.456 -7.355 13.916 303 1HG1 ILE 40 1HG1 ILE 40 -1.679 -9.962 15.316 304 2HG1 ILE 40 2HG1 ILE 40 -0.580 -8.601 15.088 305 1HG2 ILE 40 1HG2 ILE 40 -4.442 -8.603 13.149 306 2HG2 ILE 40 2HG2 ILE 40 -3.930 -10.011 14.102 307 3HG2 ILE 40 3HG2 ILE 40 -4.385 -8.488 14.896 308 1HD1 ILE 40 3HD1 ILE 40 -2.120 -7.140 16.402 309 2HD1 ILE 40 1HD1 ILE 40 -3.110 -8.576 16.767 310 3HD1 ILE 40 2HD1 ILE 40 -1.433 -8.495 17.320 311 H LEU 41 H LEU 41 -1.768 -6.721 11.439 312 HA LEU 41 HA LEU 41 -3.860 -7.348 9.512 313 1HB LEU 41 1HB LEU 41 -3.293 -5.122 10.758 314 2HB LEU 41 2HB LEU 41 -1.988 -4.954 9.590 315 HG LEU 41 HG LEU 41 -3.726 -5.000 7.755 316 1HD1 LEU 41 2HD1 LEU 41 -5.678 -4.829 10.096 317 2HD1 LEU 41 3HD1 LEU 41 -6.098 -4.552 8.402 318 3HD1 LEU 41 1HD1 LEU 41 -5.582 -6.154 8.928 319 1HD2 LEU 41 2HD2 LEU 41 -2.811 -2.883 8.631 320 2HD2 LEU 41 3HD2 LEU 41 -4.514 -2.695 8.180 321 3HD2 LEU 41 1HD2 LEU 41 -4.064 -2.852 9.890 322 H ARG 42 H ARG 42 -0.754 -8.276 9.626 323 HA ARG 42 HA ARG 42 0.408 -8.009 7.118 324 1HB ARG 42 1HB ARG 42 1.581 -8.972 8.992 325 2HB ARG 42 2HB ARG 42 0.403 -10.258 9.169 326 1HG ARG 42 1HG ARG 42 2.517 -11.097 8.387 327 2HG ARG 42 2HG ARG 42 1.253 -11.422 7.207 328 1HD ARG 42 1HD ARG 42 2.200 -10.074 5.609 329 2HD ARG 42 2HD ARG 42 2.787 -8.925 6.793 330 HE ARG 42 HE ARG 42 4.539 -10.776 7.360 331 1HH1 ARG 42 2HH2 ARG 42 3.658 -9.325 4.300 332 2HH1 ARG 42 1HH2 ARG 42 5.287 -9.234 3.794 333 1HH2 ARG 42 2HH1 ARG 42 6.566 -10.808 6.584 334 2HH2 ARG 42 1HH1 ARG 42 6.995 -10.262 5.022 335 H GLY 43 H GLY 43 -2.171 -10.238 8.170 336 1HA GLY 43 1HA GLY 43 -2.389 -11.803 5.790 337 2HA GLY 43 2HA GLY 43 -3.658 -11.530 6.992 338 H LEU 44 H LEU 44 -4.211 -8.859 6.859 339 HA LEU 44 HA LEU 44 -5.944 -8.790 4.622 340 1HB LEU 44 1HB LEU 44 -6.104 -7.687 6.978 341 2HB LEU 44 2HB LEU 44 -5.105 -6.407 6.325 342 HG LEU 44 HG LEU 44 -7.415 -5.777 6.353 343 1HD1 LEU 44 3HD1 LEU 44 -6.035 -5.002 4.393 344 2HD1 LEU 44 1HD1 LEU 44 -6.817 -6.265 3.418 345 3HD1 LEU 44 2HD1 LEU 44 -7.783 -4.975 4.154 346 1HD2 LEU 44 3HD2 LEU 44 -8.423 -8.033 6.264 347 2HD2 LEU 44 1HD2 LEU 44 -9.192 -6.891 5.161 348 3HD2 LEU 44 2HD2 LEU 44 -8.077 -8.116 4.522 349 H CYS 45 H CYS 45 -2.983 -6.874 5.401 350 HA CYS 45 HA CYS 45 -2.682 -5.563 2.975 351 1HB CYS 45 1HB CYS 45 -1.529 -5.138 5.105 352 2HB CYS 45 2HB CYS 45 -0.611 -6.622 4.925 353 H LYS 46 H LYS 46 -1.350 -8.870 3.805 354 HA LYS 46 HA LYS 46 -0.163 -9.221 1.244 355 1HB LYS 46 1HB LYS 46 -1.069 -11.221 3.317 356 2HB LYS 46 2HB LYS 46 -0.520 -11.746 1.716 357 1HG LYS 46 1HG LYS 46 1.597 -10.470 1.986 358 2HG LYS 46 2HG LYS 46 1.077 -9.948 3.579 359 1HD LYS 46 1HD LYS 46 2.596 -11.658 3.952 360 2HD LYS 46 2HD LYS 46 1.025 -12.413 4.260 361 1HE LYS 46 1HE LYS 46 1.121 -13.555 2.093 362 2HE LYS 46 2HE LYS 46 2.535 -12.608 1.608 363 1HZ LYS 46 2HZ LYS 46 3.819 -13.716 3.325 364 2HZ LYS 46 3HZ LYS 46 2.519 -14.609 3.794 365 3HZ LYS 46 1HZ LYS 46 3.173 -14.816 2.306 366 H LYS 47 H LYS 47 -3.591 -9.766 2.209 367 HA LYS 47 HA LYS 47 -4.408 -10.902 -0.309 368 1HB LYS 47 1HB LYS 47 -5.950 -11.064 1.414 369 2HB LYS 47 2HB LYS 47 -5.974 -9.325 1.692 370 1HG LYS 47 1HG LYS 47 -7.920 -10.107 0.519 371 2HG LYS 47 2HG LYS 47 -7.063 -8.888 -0.405 372 1HD LYS 47 1HD LYS 47 -6.116 -11.019 -1.696 373 2HD LYS 47 2HD LYS 47 -7.497 -11.840 -0.984 374 1HE LYS 47 1HE LYS 47 -7.620 -9.265 -2.646 375 2HE LYS 47 2HE LYS 47 -7.804 -10.872 -3.332 376 1HZ LYS 47 1HZ LYS 47 -9.622 -9.650 -1.351 377 2HZ LYS 47 2HZ LYS 47 -9.895 -9.814 -2.958 378 3HZ LYS 47 3HZ LYS 47 -9.801 -11.154 -2.017 379 H ILE 48 H ILE 48 -4.258 -7.424 0.720 380 HA ILE 48 HA ILE 48 -5.174 -6.411 -1.770 381 HB ILE 48 HB ILE 48 -3.320 -5.082 0.255 382 1HG1 ILE 48 1HG1 ILE 48 -6.359 -4.963 -0.086 383 2HG1 ILE 48 2HG1 ILE 48 -5.509 -5.785 1.213 384 1HG2 ILE 48 3HG2 ILE 48 -3.259 -3.987 -1.994 385 2HG2 ILE 48 1HG2 ILE 48 -5.024 -3.824 -1.953 386 3HG2 ILE 48 2HG2 ILE 48 -3.996 -2.955 -0.790 387 1HD1 ILE 48 3HD1 ILE 48 -4.558 -3.582 1.957 388 2HD1 ILE 48 1HD1 ILE 48 -5.616 -2.783 0.768 389 3HD1 ILE 48 2HD1 ILE 48 -6.324 -3.717 2.086 390 H MET 49 H MET 49 -1.793 -6.888 -0.613 391 HA MET 49 HA MET 49 -0.533 -6.066 -3.031 392 1HB MET 49 1HB MET 49 0.530 -8.058 -0.992 393 2HB MET 49 2HB MET 49 1.456 -7.160 -2.202 394 1HG MET 49 1HG MET 49 0.060 -6.075 0.248 395 2HG MET 49 2HG MET 49 1.773 -6.044 -0.117 396 1HE MET 49 1HE MET 49 1.214 -3.510 0.956 397 2HE MET 49 2HE MET 49 0.236 -2.307 0.093 398 3HE MET 49 3HE MET 49 -0.550 -3.723 0.811 399 H ARG 50 H ARG 50 -1.818 -9.420 -2.259 400 HA ARG 50 HA ARG 50 -0.600 -10.291 -4.796 401 1HB ARG 50 1HB ARG 50 -1.177 -11.890 -2.948 402 2HB ARG 50 2HB ARG 50 -2.886 -11.680 -3.321 403 1HG ARG 50 1HG ARG 50 -2.633 -12.552 -5.552 404 2HG ARG 50 2HG ARG 50 -0.871 -12.457 -5.483 405 1HD ARG 50 1HD ARG 50 -0.747 -14.327 -3.950 406 2HD ARG 50 2HD ARG 50 -2.501 -14.325 -3.735 407 HE ARG 50 HE ARG 50 -2.777 -15.515 -5.629 408 1HH1 ARG 50 2HH2 ARG 50 0.524 -14.202 -5.830 409 2HH1 ARG 50 1HH2 ARG 50 0.955 -15.127 -7.217 410 1HH2 ARG 50 2HH1 ARG 50 -2.200 -16.739 -7.503 411 2HH2 ARG 50 1HH1 ARG 50 -0.638 -16.590 -8.185 412 H SER 51 H SER 51 -3.738 -9.218 -3.733 413 HA SER 51 HA SER 51 -5.258 -9.826 -6.024 414 1HB SER 51 1HB SER 51 -5.963 -9.051 -3.682 415 2HB SER 51 2HB SER 51 -5.742 -7.394 -4.245 416 HG SER 51 HG SER 51 -7.379 -7.792 -5.764 417 H PHE 52 H PHE 52 -3.605 -6.690 -5.235 418 HA PHE 52 HA PHE 52 -3.731 -5.991 -8.132 419 1HB PHE 52 1HB PHE 52 -4.386 -3.966 -5.980 420 2HB PHE 52 2HB PHE 52 -4.717 -3.912 -7.705 421 HD1 PHE 52 HD2 PHE 52 -6.368 -6.087 -8.435 422 HD2 PHE 52 HD1 PHE 52 -6.293 -3.911 -4.702 423 HE1 PHE 52 HE2 PHE 52 -8.737 -6.676 -8.035 424 HE2 PHE 52 HE1 PHE 52 -8.685 -4.462 -4.347 425 HZ PHE 52 HZ PHE 52 -9.904 -5.845 -5.995 426 H LEU 53 H LEU 53 -1.427 -7.000 -7.240 427 HA LEU 53 HA LEU 53 0.219 -5.492 -5.635 428 1HB LEU 53 1HB LEU 53 0.551 -7.846 -6.758 429 2HB LEU 53 2HB LEU 53 1.312 -6.984 -8.055 430 HG LEU 53 HG LEU 53 2.156 -6.706 -5.136 431 1HD1 LEU 53 1HD1 LEU 53 2.396 -9.009 -5.876 432 2HD1 LEU 53 2HD1 LEU 53 3.341 -8.479 -7.293 433 3HD1 LEU 53 3HD1 LEU 53 3.976 -8.247 -5.647 434 1HD2 LEU 53 3HD2 LEU 53 3.528 -5.796 -7.690 435 2HD2 LEU 53 1HD2 LEU 53 3.024 -4.810 -6.288 436 3HD2 LEU 53 2HD2 LEU 53 4.342 -5.941 -6.120 437 H ARG 54 H ARG 54 0.438 -5.396 -9.252 438 HA ARG 54 HA ARG 54 2.165 -3.161 -9.266 439 1HB ARG 54 1HB ARG 54 1.593 -4.822 -11.190 440 2HB ARG 54 2HB ARG 54 0.206 -3.781 -11.506 441 1HG ARG 54 1HG ARG 54 1.856 -3.050 -13.015 442 2HG ARG 54 2HG ARG 54 1.912 -1.840 -11.738 443 1HD ARG 54 1HD ARG 54 3.852 -3.168 -10.721 444 2HD ARG 54 2HD ARG 54 3.847 -4.171 -12.173 445 HE ARG 54 HE ARG 54 4.940 -1.556 -11.758 446 1HH1 ARG 54 2HH2 ARG 54 3.747 -3.651 -14.363 447 2HH1 ARG 54 1HH2 ARG 54 4.624 -2.820 -15.607 448 1HH2 ARG 54 2HH1 ARG 54 6.033 -0.515 -13.302 449 2HH2 ARG 54 1HH1 ARG 54 6.011 -0.912 -14.998 450 H ARG 55 H ARG 55 -1.378 -3.134 -8.657 451 HA ARG 55 HA ARG 55 -1.650 -0.435 -9.518 452 1HB ARG 55 1HB ARG 55 -3.293 -2.256 -7.741 453 2HB ARG 55 2HB ARG 55 -3.687 -0.617 -7.935 454 1HG ARG 55 1HG ARG 55 -3.625 -2.615 -10.206 455 2HG ARG 55 2HG ARG 55 -5.062 -2.255 -9.277 456 1HD ARG 55 1HD ARG 55 -3.692 -0.103 -10.909 457 2HD ARG 55 2HD ARG 55 -4.786 -1.254 -11.646 458 HE ARG 55 HE ARG 55 -5.461 1.072 -10.148 459 1HH1 ARG 55 2HH2 ARG 55 -6.825 -2.057 -11.071 460 2HH1 ARG 55 1HH2 ARG 55 -8.463 -1.521 -10.900 461 1HH2 ARG 55 2HH1 ARG 55 -7.747 1.795 -9.888 462 2HH2 ARG 55 1HH1 ARG 55 -8.946 0.681 -10.140 463 H ILE 56 H ILE 56 -0.906 -2.157 -6.345 464 HA ILE 56 HA ILE 56 -0.950 0.302 -4.855 465 HB ILE 56 HB ILE 56 0.645 -2.212 -4.232 466 1HG1 ILE 56 1HG1 ILE 56 -1.508 -3.070 -4.335 467 2HG1 ILE 56 2HG1 ILE 56 -1.407 -2.585 -2.662 468 1HG2 ILE 56 3HG2 ILE 56 -0.333 0.074 -2.464 469 2HG2 ILE 56 1HG2 ILE 56 0.432 -1.423 -1.887 470 3HG2 ILE 56 2HG2 ILE 56 1.351 -0.304 -2.872 471 1HD1 ILE 56 2HD1 ILE 56 -2.621 -0.416 -3.336 472 2HD1 ILE 56 3HD1 ILE 56 -2.921 -1.183 -4.906 473 3HD1 ILE 56 1HD1 ILE 56 -3.563 -1.923 -3.448 474 H SER 57 H SER 57 1.538 -1.094 -6.960 475 HA SER 57 HA SER 57 3.589 0.686 -6.127 476 1HB SER 57 1HB SER 57 3.752 -1.470 -7.525 477 2HB SER 57 2HB SER 57 3.301 -0.470 -8.919 478 HG SER 57 HG SER 57 5.476 -0.593 -8.756 479 H TRP 58 H TRP 58 1.475 0.905 -9.098 480 HA TRP 58 HA TRP 58 2.062 3.529 -9.828 481 1HB TRP 58 1HB TRP 58 0.697 2.756 -11.412 482 2HB TRP 58 2HB TRP 58 -0.133 1.668 -10.328 483 HD1 TRP 58 HD1 TRP 58 -0.379 5.442 -11.309 484 HE1 TRP 58 HE1 TRP 58 -2.801 6.151 -11.179 485 HE3 TRP 58 HE3 TRP 58 -2.246 1.367 -9.036 486 HZ2 TRP 58 HZ2 TRP 58 -5.427 4.820 -10.453 487 HZ3 TRP 58 HZ3 TRP 58 -4.520 1.294 -8.210 488 HH2 TRP 58 HH2 TRP 58 -6.083 2.931 -8.815 489 H ASP 59 H ASP 59 -0.291 2.501 -7.403 490 HA ASP 59 HA ASP 59 -1.475 4.971 -6.807 491 1HB ASP 59 1HB ASP 59 -0.971 2.482 -5.101 492 2HB ASP 59 2HB ASP 59 -1.752 3.870 -4.446 493 HD2 ASP 59 HD2 ASP 59 -4.279 1.685 -6.120 494 H ILE 60 H ILE 60 1.328 3.488 -5.071 495 HA ILE 60 HA ILE 60 1.890 5.872 -3.562 496 HB ILE 60 HB ILE 60 3.195 3.215 -4.020 497 1HG1 ILE 60 1HG1 ILE 60 3.084 3.050 -1.591 498 2HG1 ILE 60 2HG1 ILE 60 2.518 4.710 -1.449 499 1HG2 ILE 60 3HG2 ILE 60 4.562 5.528 -2.589 500 2HG2 ILE 60 1HG2 ILE 60 5.058 3.820 -2.553 501 3HG2 ILE 60 2HG2 ILE 60 5.121 4.715 -4.068 502 1HD1 ILE 60 3HD1 ILE 60 0.964 2.430 -2.723 503 2HD1 ILE 60 1HD1 ILE 60 0.764 3.047 -1.077 504 3HD1 ILE 60 2HD1 ILE 60 0.369 4.092 -2.450 505 H LEU 61 H LEU 61 3.286 4.550 -6.617 506 HA LEU 61 HA LEU 61 5.353 6.438 -6.861 507 1HB LEU 61 1HB LEU 61 3.764 4.966 -8.995 508 2HB LEU 61 2HB LEU 61 5.200 5.916 -9.353 509 HG LEU 61 HG LEU 61 5.269 3.580 -7.404 510 1HD1 LEU 61 2HD1 LEU 61 4.519 2.764 -9.618 511 2HD1 LEU 61 3HD1 LEU 61 5.900 3.570 -10.391 512 3HD1 LEU 61 1HD1 LEU 61 6.157 2.224 -9.261 513 1HD2 LEU 61 2HD2 LEU 61 7.179 5.195 -7.284 514 2HD2 LEU 61 3HD2 LEU 61 7.629 3.571 -7.791 515 3HD2 LEU 61 1HD2 LEU 61 7.516 4.876 -8.995 516 H THR 62 H THR 62 1.941 6.784 -7.786 517 HA THR 62 HA THR 62 2.431 9.442 -8.980 518 HB THR 62 HB THR 62 -0.086 9.443 -9.224 519 HG1 THR 62 HG1 THR 62 0.183 6.722 -8.432 520 1HG2 THR 62 1HG2 THR 62 1.426 8.768 -11.045 521 2HG2 THR 62 2HG2 THR 62 1.387 7.087 -10.475 522 3HG2 THR 62 3HG2 THR 62 -0.096 7.867 -11.082 523 H GLY 63 H GLY 63 2.751 8.594 -5.949 524 1HA GLY 63 1HA GLY 63 2.274 9.270 -3.853 525 2HA GLY 63 2HA GLY 63 2.503 10.889 -4.548 526 H LYS 64 H LYS 64 -0.074 8.419 -5.034 527 HA LYS 64 HA LYS 64 -2.022 10.596 -4.867 528 1HB LYS 64 1HB LYS 64 -2.088 8.929 -6.673 529 2HB LYS 64 2HB LYS 64 -2.279 7.625 -5.492 530 1HG LYS 64 1HG LYS 64 -4.477 8.456 -4.843 531 2HG LYS 64 2HG LYS 64 -4.253 9.946 -5.774 532 1HD LYS 64 1HD LYS 64 -5.735 8.218 -6.863 533 2HD LYS 64 2HD LYS 64 -4.382 8.783 -7.866 534 1HE LYS 64 1HE LYS 64 -3.085 6.802 -7.431 535 2HE LYS 64 2HE LYS 64 -4.192 6.270 -6.157 536 1HZ LYS 64 2HZ LYS 64 -5.909 5.982 -7.938 537 2HZ LYS 64 3HZ LYS 64 -4.786 6.370 -9.030 538 3HZ LYS 64 1HZ LYS 64 -4.595 5.041 -8.099 539 H LYS 65 H LYS 65 -3.632 10.699 -3.297 540 HA LYS 65 HA LYS 65 -2.623 9.800 -0.744 541 1HB LYS 65 1HB LYS 65 -5.178 11.291 -1.474 542 2HB LYS 65 2HB LYS 65 -4.573 11.173 0.164 543 1HG LYS 65 1HG LYS 65 -2.956 12.456 -2.109 544 2HG LYS 65 2HG LYS 65 -4.100 13.321 -1.124 545 1HD LYS 65 1HD LYS 65 -1.827 13.743 -0.401 546 2HD LYS 65 2HD LYS 65 -2.817 13.040 0.860 547 1HE LYS 65 1HE LYS 65 -0.631 12.124 1.060 548 2HE LYS 65 2HE LYS 65 -1.693 10.846 0.549 549 1HZ LYS 65 2HZ LYS 65 -0.728 11.282 -1.785 550 2HZ LYS 65 3HZ LYS 65 0.424 12.158 -1.007 551 3HZ LYS 65 1HZ LYS 65 0.173 10.582 -0.609 552 HA PRO 66 HA PRO 66 -4.435 6.011 0.030 553 1HB PRO 66 1HB PRO 66 -5.307 6.116 2.667 554 2HB PRO 66 2HB PRO 66 -3.596 6.037 2.166 555 1HG PRO 66 1HG PRO 66 -5.215 8.535 2.784 556 2HG PRO 66 2HG PRO 66 -3.611 8.088 3.418 557 1HD PRO 66 1HD PRO 66 -3.705 9.721 1.372 558 2HD PRO 66 2HD PRO 66 -2.585 8.323 1.251 559 H GLN 67 H GLN 67 -6.670 8.510 1.292 560 HA GLN 67 HA GLN 67 -8.937 6.841 1.394 561 1HB GLN 67 1HB GLN 67 -8.467 9.259 2.359 562 2HB GLN 67 2HB GLN 67 -9.030 9.831 0.791 563 1HG GLN 67 1HG GLN 67 -10.878 9.877 2.346 564 2HG GLN 67 2HG GLN 67 -11.196 8.597 1.171 565 1HE2 GLN 67 2HE2 GLN 67 -11.689 6.317 3.851 566 2HE2 GLN 67 1HE2 GLN 67 -12.203 6.907 2.286 567 H ALA 68 H ALA 68 -7.489 8.588 -1.331 568 HA ALA 68 HA ALA 68 -9.734 8.024 -3.124 569 1HB ALA 68 2HB ALA 68 -8.339 10.041 -3.466 570 2HB ALA 68 3HB ALA 68 -6.894 9.017 -3.674 571 3HB ALA 68 1HB ALA 68 -8.224 8.933 -4.846 572 H ILE 69 H ILE 69 -6.392 6.703 -2.430 573 HA ILE 69 HA ILE 69 -6.366 4.877 -4.570 574 HB ILE 69 HB ILE 69 -5.122 4.781 -1.780 575 1HG1 ILE 69 1HG1 ILE 69 -3.815 5.104 -4.500 576 2HG1 ILE 69 2HG1 ILE 69 -4.378 6.471 -3.597 577 1HG2 ILE 69 3HG2 ILE 69 -4.845 2.783 -4.030 578 2HG2 ILE 69 1HG2 ILE 69 -3.644 2.894 -2.740 579 3HG2 ILE 69 2HG2 ILE 69 -5.295 2.452 -2.348 580 1HD1 ILE 69 2HD1 ILE 69 -2.337 4.522 -2.434 581 2HD1 ILE 69 3HD1 ILE 69 -1.916 5.947 -3.375 582 3HD1 ILE 69 1HD1 ILE 69 -2.803 6.123 -1.845 583 H CYS 70 H CYS 70 -7.638 4.261 -1.284 584 HA CYS 70 HA CYS 70 -8.401 1.544 -1.786 585 1HB CYS 70 1HB CYS 70 -9.539 3.603 0.167 586 2HB CYS 70 2HB CYS 70 -9.726 1.848 0.291 587 H VAL 71 H VAL 71 -10.213 4.592 -2.369 588 HA VAL 71 HA VAL 71 -12.621 3.155 -3.070 589 HB VAL 71 HB VAL 71 -11.715 6.014 -3.434 590 1HG1 VAL 71 3HG1 VAL 71 -13.374 5.443 -5.237 591 2HG1 VAL 71 1HG1 VAL 71 -14.524 4.949 -3.974 592 3HG1 VAL 71 2HG1 VAL 71 -13.972 6.626 -4.072 593 1HG2 VAL 71 2HG2 VAL 71 -12.219 5.272 -1.096 594 2HG2 VAL 71 3HG2 VAL 71 -13.411 6.439 -1.676 595 3HG2 VAL 71 1HG2 VAL 71 -13.820 4.711 -1.632 596 H ASP 72 H ASP 72 -9.905 4.572 -4.957 597 HA ASP 72 HA ASP 72 -10.830 4.096 -7.534 598 1HB ASP 72 1HB ASP 72 -8.919 5.471 -6.806 599 2HB ASP 72 2HB ASP 72 -8.013 4.027 -6.383 600 H ILE 73 H ILE 73 -8.876 1.901 -5.483 601 HA ILE 73 HA ILE 73 -9.083 -0.190 -7.566 602 HB ILE 73 HB ILE 73 -7.444 -1.408 -6.365 603 1HG1 ILE 73 1HG1 ILE 73 -8.134 0.449 -4.080 604 2HG1 ILE 73 2HG1 ILE 73 -7.903 -1.289 -4.122 605 1HG2 ILE 73 2HG2 ILE 73 -6.847 0.558 -7.807 606 2HG2 ILE 73 3HG2 ILE 73 -6.629 1.521 -6.347 607 3HG2 ILE 73 1HG2 ILE 73 -5.615 0.076 -6.642 608 1HD1 ILE 73 2HD1 ILE 73 -5.471 -0.940 -4.476 609 2HD1 ILE 73 3HD1 ILE 73 -5.731 0.809 -4.316 610 3HD1 ILE 73 1HD1 ILE 73 -6.063 -0.241 -2.933 611 H LYS 74 H LYS 74 -11.134 0.727 -5.111 612 HA LYS 74 HA LYS 74 -12.954 0.050 -4.415 613 1HB LYS 74 1HB LYS 74 -13.260 -0.701 -6.743 614 2HB LYS 74 2HB LYS 74 -12.801 -2.350 -6.241 615 1HG LYS 74 1HG LYS 74 -14.556 -2.294 -4.556 616 2HG LYS 74 2HG LYS 74 -15.050 -0.702 -5.040 617 1HD LYS 74 1HD LYS 74 -15.758 -1.384 -7.231 618 2HD LYS 74 2HD LYS 74 -15.111 -2.984 -6.937 619 1HE LYS 74 1HE LYS 74 -17.402 -3.311 -6.628 620 2HE LYS 74 2HE LYS 74 -16.797 -3.156 -4.972 621 1HZ LYS 74 1HZ LYS 74 -18.061 -0.932 -6.493 622 2HZ LYS 74 2HZ LYS 74 -18.839 -1.843 -5.380 623 3HZ LYS 74 3HZ LYS 74 -17.674 -0.896 -4.910 624 H ILE 75 H ILE 75 -12.086 -0.026 -2.436 625 HA ILE 75 HA ILE 75 -12.195 -2.690 -1.119 626 HB ILE 75 HB ILE 75 -9.996 -0.602 -0.840 627 1HG1 ILE 75 1HG1 ILE 75 -9.992 -3.422 -2.033 628 2HG1 ILE 75 2HG1 ILE 75 -9.647 -1.906 -2.864 629 1HG2 ILE 75 2HG2 ILE 75 -10.326 -3.262 0.594 630 2HG2 ILE 75 3HG2 ILE 75 -8.883 -2.250 0.699 631 3HG2 ILE 75 1HG2 ILE 75 -10.375 -1.620 1.330 632 1HD1 ILE 75 3HD1 ILE 75 -7.600 -1.664 -1.387 633 2HD1 ILE 75 1HD1 ILE 75 -7.887 -3.350 -0.875 634 3HD1 ILE 75 2HD1 ILE 75 -7.572 -2.996 -2.570 635 H CYS 76 H CYS 76 -12.970 0.760 -1.025 636 HA CYS 76 HA CYS 76 -13.198 0.744 1.886 637 1HB CYS 76 1HB CYS 76 -12.203 2.703 0.718 638 2HB CYS 76 2HB CYS 76 -13.737 2.997 -0.065 639 H LYS 77 H LYS 77 -15.378 2.121 -0.477 640 HA LYS 77 HA LYS 77 -17.622 0.587 -0.085 641 1HB LYS 77 1HB LYS 77 -18.021 1.409 2.112 642 2HB LYS 77 2HB LYS 77 -17.670 3.070 1.657 643 1HG LYS 77 1HG LYS 77 -20.111 2.434 2.146 644 2HG LYS 77 2HG LYS 77 -19.759 3.445 0.787 645 1HD LYS 77 1HD LYS 77 -19.887 0.960 -0.478 646 2HD LYS 77 2HD LYS 77 -20.978 0.737 0.880 647 1HE LYS 77 1HE LYS 77 -22.312 1.554 -0.929 648 2HE LYS 77 2HE LYS 77 -22.127 2.909 0.197 649 1HZ LYS 77 3HZ LYS 77 -20.195 3.567 -1.366 650 2HZ LYS 77 1HZ LYS 77 -20.784 2.507 -2.415 651 3HZ LYS 77 2HZ LYS 77 -21.728 3.747 -1.983 652 H GLU 78 H GLU 78 -16.744 0.882 -2.221 653 HA GLU 78 HA GLU 78 -17.796 3.157 -3.740 654 1HB GLU 78 1HB GLU 78 -16.730 0.510 -4.757 655 2HB GLU 78 2HB GLU 78 -16.799 2.030 -5.602 656 1HG GLU 78 1HG GLU 78 -14.539 1.360 -5.075 657 2HG GLU 78 2HG GLU 78 -14.935 2.869 -4.285 No H/Q in entry = 657 Start of MODEL 7 1 1H GLY 1 2H GLY 1 -15.772 -2.565 3.083 2 2H GLY 1 3H GLY 1 -16.942 -1.464 2.712 3 3H GLY 1 1H GLY 1 -15.496 -0.954 3.279 4 1HA GLY 1 1HA GLY 1 -17.064 -0.830 5.074 5 2HA GLY 1 2HA GLY 1 -17.522 -2.524 4.722 6 H TYR 2 H TYR 2 -15.818 -0.843 7.065 7 HA TYR 2 HA TYR 2 -14.031 -1.117 8.381 8 1HB TYR 2 1HB TYR 2 -14.866 -3.229 9.085 9 2HB TYR 2 2HB TYR 2 -14.318 -4.038 7.630 10 HD1 TYR 2 HD2 TYR 2 -12.911 -2.060 10.533 11 HD2 TYR 2 HD1 TYR 2 -12.322 -5.262 7.692 12 HE1 TYR 2 HE2 TYR 2 -10.790 -2.640 11.635 13 HE2 TYR 2 HE1 TYR 2 -10.194 -5.855 8.802 14 HH TYR 2 HH TYR 2 -9.095 -4.327 11.789 15 H PHE 3 H PHE 3 -13.312 -3.172 5.621 16 HA PHE 3 HA PHE 3 -10.834 -3.000 4.920 17 1HB PHE 3 1HB PHE 3 -13.277 -2.402 3.227 18 2HB PHE 3 2HB PHE 3 -11.681 -2.477 2.542 19 HD1 PHE 3 HD1 PHE 3 -10.276 -4.502 2.648 20 HD2 PHE 3 HD2 PHE 3 -14.537 -4.485 3.352 21 HE1 PHE 3 HE1 PHE 3 -10.436 -6.878 1.939 22 HE2 PHE 3 HE2 PHE 3 -14.656 -6.861 2.759 23 HZ PHE 3 HZ PHE 3 -12.616 -8.053 2.038 24 H CYS 4 H CYS 4 -12.823 0.016 4.712 25 HA CYS 4 HA CYS 4 -10.955 1.385 3.032 26 1HB CYS 4 1HB CYS 4 -13.396 2.106 3.587 27 2HB CYS 4 2HB CYS 4 -12.722 2.795 5.065 28 H GLU 5 H GLU 5 -11.382 1.417 6.638 29 HA GLU 5 HA GLU 5 -9.073 3.065 7.075 30 1HB GLU 5 1HB GLU 5 -10.766 3.019 8.760 31 2HB GLU 5 2HB GLU 5 -10.649 1.266 8.930 32 1HG GLU 5 1HG GLU 5 -9.535 2.530 10.773 33 2HG GLU 5 2HG GLU 5 -8.491 1.391 9.943 34 H SER 6 H SER 6 -9.662 -0.514 7.152 35 HA SER 6 HA SER 6 -7.131 -1.378 7.870 36 1HB SER 6 1HB SER 6 -8.676 -2.654 5.589 37 2HB SER 6 2HB SER 6 -7.752 -3.444 6.867 38 HG SER 6 HG SER 6 -9.402 -3.010 8.303 39 H CYS 7 H CYS 7 -8.238 -0.648 4.556 40 HA CYS 7 HA CYS 7 -5.818 -1.067 3.122 41 1HB CYS 7 1HB CYS 7 -8.017 -1.112 2.112 42 2HB CYS 7 2HB CYS 7 -8.356 0.531 2.615 43 H ARG 8 H ARG 8 -7.385 1.915 4.416 44 HA ARG 8 HA ARG 8 -5.493 3.768 3.510 45 1HB ARG 8 1HB ARG 8 -7.587 4.555 4.407 46 2HB ARG 8 2HB ARG 8 -7.315 3.735 5.952 47 1HG ARG 8 1HG ARG 8 -5.463 5.190 6.490 48 2HG ARG 8 2HG ARG 8 -5.592 6.025 4.933 49 1HD ARG 8 1HD ARG 8 -7.699 6.998 5.576 50 2HD ARG 8 2HD ARG 8 -7.813 5.958 6.999 51 HE ARG 8 HE ARG 8 -5.666 8.015 6.573 52 1HH1 ARG 8 2HH2 ARG 8 -7.630 6.129 8.926 53 2HH1 ARG 8 1HH2 ARG 8 -7.216 7.146 10.240 54 1HH2 ARG 8 2HH1 ARG 8 -4.854 9.045 8.305 55 2HH2 ARG 8 1HH1 ARG 8 -5.527 8.888 9.897 56 H LYS 9 H LYS 9 -5.590 1.991 6.645 57 HA LYS 9 HA LYS 9 -3.192 3.103 7.636 58 1HB LYS 9 1HB LYS 9 -4.949 1.949 8.939 59 2HB LYS 9 2HB LYS 9 -4.479 0.400 8.238 60 1HG LYS 9 1HG LYS 9 -2.353 0.440 9.316 61 2HG LYS 9 2HG LYS 9 -2.508 2.141 9.778 62 1HD LYS 9 1HD LYS 9 -4.664 0.308 10.792 63 2HD LYS 9 2HD LYS 9 -3.053 0.013 11.424 64 1HE LYS 9 1HE LYS 9 -4.368 1.500 12.882 65 2HE LYS 9 2HE LYS 9 -2.858 2.228 12.329 66 1HZ LYS 9 3HZ LYS 9 -5.524 2.835 11.136 67 2HZ LYS 9 1HZ LYS 9 -4.775 3.752 12.246 68 3HZ LYS 9 2HZ LYS 9 -4.131 3.538 10.747 69 H ILE 10 H ILE 10 -3.699 0.173 5.633 70 HA ILE 10 HA ILE 10 -1.010 -0.729 5.600 71 HB ILE 10 HB ILE 10 -3.289 -1.075 3.647 72 1HG1 ILE 10 1HG1 ILE 10 -1.903 -3.121 5.429 73 2HG1 ILE 10 2HG1 ILE 10 -3.189 -2.117 6.053 74 1HG2 ILE 10 3HG2 ILE 10 -0.515 -2.337 3.567 75 2HG2 ILE 10 1HG2 ILE 10 -1.903 -2.926 2.632 76 3HG2 ILE 10 2HG2 ILE 10 -1.252 -1.324 2.310 77 1HD1 ILE 10 1HD1 ILE 10 -3.533 -3.945 3.654 78 2HD1 ILE 10 2HD1 ILE 10 -4.019 -4.316 5.310 79 3HD1 ILE 10 3HD1 ILE 10 -4.787 -2.973 4.437 80 H ILE 11 H ILE 11 -2.687 1.437 3.207 81 HA ILE 11 HA ILE 11 -0.254 1.998 1.798 82 HB ILE 11 HB ILE 11 -2.907 3.466 1.954 83 1HG1 ILE 11 1HG1 ILE 11 -3.219 1.353 0.830 84 2HG1 ILE 11 2HG1 ILE 11 -3.273 2.644 -0.356 85 1HG2 ILE 11 1HG2 ILE 11 -1.187 5.114 1.298 86 2HG2 ILE 11 2HG2 ILE 11 -0.609 4.033 0.027 87 3HG2 ILE 11 3HG2 ILE 11 -2.251 4.711 -0.025 88 1HD1 ILE 11 2HD1 ILE 11 -0.988 2.081 -1.105 89 2HD1 ILE 11 3HD1 ILE 11 -0.921 0.764 0.094 90 3HD1 ILE 11 1HD1 ILE 11 -2.101 0.713 -1.223 91 H GLN 12 H GLN 12 -1.805 3.687 4.565 92 HA GLN 12 HA GLN 12 -0.263 6.036 4.440 93 1HB GLN 12 1HB GLN 12 -1.452 4.538 6.820 94 2HB GLN 12 2HB GLN 12 -0.629 6.069 7.030 95 1HG GLN 12 1HG GLN 12 -2.850 6.002 5.005 96 2HG GLN 12 2HG GLN 12 -3.278 5.820 6.701 97 1HE2 GLN 12 2HE2 GLN 12 -1.383 9.409 6.012 98 2HE2 GLN 12 1HE2 GLN 12 -0.582 7.961 5.497 99 H LYS 13 H LYS 13 0.465 2.987 6.268 100 HA LYS 13 HA LYS 13 2.966 4.160 7.051 101 1HB LYS 13 1HB LYS 13 1.739 2.385 8.387 102 2HB LYS 13 2HB LYS 13 2.382 1.196 7.251 103 1HG LYS 13 1HG LYS 13 3.668 1.480 9.424 104 2HG LYS 13 2HG LYS 13 4.646 1.620 7.962 105 1HD LYS 13 1HD LYS 13 4.797 3.977 8.141 106 2HD LYS 13 2HD LYS 13 3.526 4.079 9.367 107 1HE LYS 13 1HE LYS 13 4.995 3.129 11.042 108 2HE LYS 13 2HE LYS 13 6.235 2.771 9.812 109 1HZ LYS 13 1HZ LYS 13 5.341 5.558 10.243 110 2HZ LYS 13 2HZ LYS 13 6.631 4.921 11.096 111 3HZ LYS 13 3HZ LYS 13 6.562 5.083 9.451 112 H LEU 14 H LEU 14 1.952 2.426 4.193 113 HA LEU 14 HA LEU 14 4.578 1.673 3.300 114 1HB LEU 14 1HB LEU 14 2.304 0.953 2.275 115 2HB LEU 14 2HB LEU 14 2.248 2.528 1.519 116 HG LEU 14 HG LEU 14 3.002 0.970 -0.077 117 1HD1 LEU 14 2HD1 LEU 14 4.241 3.190 -0.081 118 2HD1 LEU 14 3HD1 LEU 14 5.588 2.331 0.702 119 3HD1 LEU 14 1HD1 LEU 14 5.058 1.844 -0.892 120 1HD2 LEU 14 1HD2 LEU 14 3.776 -0.783 1.378 121 2HD2 LEU 14 2HD2 LEU 14 5.016 -0.394 0.177 122 3HD2 LEU 14 3HD2 LEU 14 5.219 0.157 1.846 123 H GLU 15 H GLU 15 2.503 4.533 2.556 124 HA GLU 15 HA GLU 15 4.400 5.864 0.976 125 1HB GLU 15 1HB GLU 15 1.871 6.170 1.148 126 2HB GLU 15 2HB GLU 15 2.143 7.120 2.613 127 1HG GLU 15 1HG GLU 15 3.489 8.737 1.309 128 2HG GLU 15 2HG GLU 15 3.352 7.709 -0.122 129 H ASP 16 H ASP 16 3.678 6.214 4.437 130 HA ASP 16 HA ASP 16 5.570 8.155 5.193 131 1HB ASP 16 1HB ASP 16 3.876 7.410 6.720 132 2HB ASP 16 2HB ASP 16 4.260 5.724 6.437 133 H MET 17 H MET 17 6.112 4.598 4.893 134 HA MET 17 HA MET 17 8.837 4.963 5.873 135 1HB MET 17 1HB MET 17 7.387 2.548 4.732 136 2HB MET 17 2HB MET 17 9.071 2.520 5.287 137 1HG MET 17 1HG MET 17 8.304 3.361 7.523 138 2HG MET 17 2HG MET 17 6.650 3.173 6.989 139 1HE MET 17 1HE MET 17 6.189 0.599 5.612 140 2HE MET 17 2HE MET 17 7.868 0.201 5.199 141 3HE MET 17 3HE MET 17 6.937 -0.898 6.231 142 H VAL 18 H VAL 18 7.375 4.261 2.641 143 HA VAL 18 HA VAL 18 9.982 3.934 1.421 144 HB VAL 18 HB VAL 18 7.715 3.020 0.648 145 1HG1 VAL 18 1HG1 VAL 18 6.489 5.170 0.536 146 2HG1 VAL 18 2HG1 VAL 18 7.516 5.661 -0.817 147 3HG1 VAL 18 3HG1 VAL 18 6.460 4.250 -0.986 148 1HG2 VAL 18 3HG2 VAL 18 9.784 4.110 -1.238 149 2HG2 VAL 18 1HG2 VAL 18 9.621 2.493 -0.531 150 3HG2 VAL 18 2HG2 VAL 18 8.453 3.030 -1.743 151 H GLY 19 H GLY 19 7.791 6.662 2.077 152 1HA GLY 19 1HA GLY 19 8.296 8.821 2.338 153 2HA GLY 19 2HA GLY 19 9.968 8.527 1.819 154 HA PRO 20 HA PRO 20 7.620 10.652 -1.621 155 1HB PRO 20 1HB PRO 20 9.218 12.812 -2.041 156 2HB PRO 20 2HB PRO 20 8.073 12.755 -0.664 157 1HG PRO 20 1HG PRO 20 11.038 12.092 -0.650 158 2HG PRO 20 2HG PRO 20 10.142 13.168 0.471 159 1HD PRO 20 1HD PRO 20 10.684 10.528 1.007 160 2HD PRO 20 2HD PRO 20 9.179 11.345 1.593 161 H GLN 21 H GLN 21 8.310 11.062 -3.659 162 HA GLN 21 HA GLN 21 8.903 10.045 -5.684 163 1HB GLN 21 1HB GLN 21 11.610 11.063 -4.759 164 2HB GLN 21 2HB GLN 21 11.101 10.770 -6.430 165 1HG GLN 21 1HG GLN 21 9.291 12.504 -6.113 166 2HG GLN 21 2HG GLN 21 10.000 12.895 -4.540 167 1HE2 GLN 21 2HE2 GLN 21 13.084 14.086 -6.348 168 2HE2 GLN 21 1HE2 GLN 21 12.827 12.759 -5.220 169 HA PRO 22 HA PRO 22 10.884 6.145 -4.062 170 1HB PRO 22 1HB PRO 22 8.844 4.450 -3.790 171 2HB PRO 22 2HB PRO 22 9.081 5.771 -2.605 172 1HG PRO 22 1HG PRO 22 7.231 5.799 -5.021 173 2HG PRO 22 2HG PRO 22 6.821 6.105 -3.299 174 1HD PRO 22 1HD PRO 22 7.465 8.150 -5.030 175 2HD PRO 22 2HD PRO 22 7.886 8.186 -3.289 176 H ASN 23 H ASN 23 10.314 3.788 -5.250 177 HA ASN 23 HA ASN 23 9.535 4.188 -8.051 178 1HB ASN 23 1HB ASN 23 11.443 2.907 -8.894 179 2HB ASN 23 2HB ASN 23 11.971 4.408 -8.139 180 1HD2 ASN 23 2HD2 ASN 23 13.950 2.740 -5.711 181 2HD2 ASN 23 1HD2 ASN 23 13.575 4.237 -6.536 182 H GLU 24 H GLU 24 8.950 2.195 -9.019 183 HA GLU 24 HA GLU 24 7.103 0.707 -7.718 184 1HB GLU 24 1HB GLU 24 7.220 0.928 -10.067 185 2HB GLU 24 2HB GLU 24 8.784 0.148 -10.173 186 1HG GLU 24 1HG GLU 24 7.887 -2.003 -9.946 187 2HG GLU 24 2HG GLU 24 6.503 -1.446 -8.999 188 H ASP 25 H ASP 25 10.592 -0.271 -7.912 189 HA ASP 25 HA ASP 25 9.992 -2.881 -6.751 190 1HB ASP 25 1HB ASP 25 12.034 -2.702 -8.045 191 2HB ASP 25 2HB ASP 25 12.648 -1.424 -6.974 192 H THR 26 H THR 26 11.406 0.181 -5.579 193 HA THR 26 HA THR 26 11.803 -0.652 -2.920 194 HB THR 26 HB THR 26 11.130 2.203 -3.756 195 HG1 THR 26 HG1 THR 26 12.797 1.119 -5.056 196 1HG2 THR 26 3HG2 THR 26 11.479 1.695 -1.268 197 2HG2 THR 26 1HG2 THR 26 13.096 1.119 -1.670 198 3HG2 THR 26 2HG2 THR 26 12.666 2.819 -1.955 199 H VAL 27 H VAL 27 8.882 0.651 -4.483 200 HA VAL 27 HA VAL 27 7.251 0.757 -2.104 201 HB VAL 27 HB VAL 27 6.614 0.501 -5.080 202 1HG1 VAL 27 2HG1 VAL 27 4.654 0.736 -2.765 203 2HG1 VAL 27 3HG1 VAL 27 4.260 1.179 -4.432 204 3HG1 VAL 27 1HG1 VAL 27 4.695 -0.489 -4.047 205 1HG2 VAL 27 3HG2 VAL 27 7.577 2.659 -4.317 206 2HG2 VAL 27 1HG2 VAL 27 5.923 2.837 -4.886 207 3HG2 VAL 27 2HG2 VAL 27 6.265 2.828 -3.137 208 H THR 28 H THR 28 7.863 -1.840 -4.529 209 HA THR 28 HA THR 28 6.021 -3.717 -3.450 210 HB THR 28 HB THR 28 8.521 -4.073 -5.165 211 HG1 THR 28 HG1 THR 28 7.126 -2.866 -6.269 212 1HG2 THR 28 2HG2 THR 28 6.190 -5.962 -4.651 213 2HG2 THR 28 3HG2 THR 28 7.439 -6.161 -5.909 214 3HG2 THR 28 1HG2 THR 28 7.896 -6.225 -4.204 215 H GLN 29 H GLN 29 9.607 -3.340 -2.890 216 HA GLN 29 HA GLN 29 9.610 -5.495 -0.984 217 1HB GLN 29 1HB GLN 29 11.833 -4.628 -0.284 218 2HB GLN 29 2HB GLN 29 11.678 -5.088 -1.979 219 1HG GLN 29 1HG GLN 29 11.738 -2.872 -2.729 220 2HG GLN 29 2HG GLN 29 11.489 -2.200 -1.106 221 1HE2 GLN 29 2HE2 GLN 29 15.243 -2.891 -2.392 222 2HE2 GLN 29 1HE2 GLN 29 13.864 -3.013 -3.473 223 H ALA 30 H ALA 30 9.441 -1.879 -0.551 224 HA ALA 30 HA ALA 30 9.351 -1.881 2.248 225 1HB ALA 30 1HB ALA 30 9.547 0.188 0.934 226 2HB ALA 30 2HB ALA 30 7.885 -0.018 0.329 227 3HB ALA 30 3HB ALA 30 8.177 0.283 2.053 228 H ALA 31 H ALA 31 6.706 -2.464 -0.094 229 HA ALA 31 HA ALA 31 4.628 -2.698 1.833 230 1HB ALA 31 2HB ALA 31 4.139 -2.446 -0.592 231 2HB ALA 31 3HB ALA 31 4.869 -4.025 -0.926 232 3HB ALA 31 1HB ALA 31 3.394 -3.921 0.046 233 H SER 32 H SER 32 6.858 -5.223 0.446 234 HA SER 32 HA SER 32 5.593 -7.384 1.804 235 1HB SER 32 1HB SER 32 7.499 -8.659 1.330 236 2HB SER 32 2HB SER 32 7.414 -7.491 0.008 237 HG SER 32 HG SER 32 9.044 -6.252 1.235 238 H GLN 33 H GLN 33 7.826 -4.927 3.058 239 HA GLN 33 HA GLN 33 7.744 -6.112 5.747 240 1HB GLN 33 1HB GLN 33 9.089 -3.674 4.551 241 2HB GLN 33 2HB GLN 33 8.937 -3.864 6.296 242 1HG GLN 33 1HG GLN 33 11.108 -4.670 5.556 243 2HG GLN 33 2HG GLN 33 10.157 -5.984 6.250 244 1HE2 GLN 33 2HE2 GLN 33 10.067 -7.753 3.154 245 2HE2 GLN 33 1HE2 GLN 33 9.664 -7.842 4.881 246 H VAL 34 H VAL 34 5.972 -3.513 3.994 247 HA VAL 34 HA VAL 34 5.042 -2.136 6.238 248 HB VAL 34 HB VAL 34 4.652 -1.603 3.737 249 1HG1 VAL 34 3HG1 VAL 34 3.041 -3.525 3.144 250 2HG1 VAL 34 1HG1 VAL 34 1.892 -2.722 4.191 251 3HG1 VAL 34 2HG1 VAL 34 2.489 -1.903 2.759 252 1HG2 VAL 34 3HG2 VAL 34 4.104 -0.095 5.447 253 2HG2 VAL 34 1HG2 VAL 34 2.824 -0.130 4.227 254 3HG2 VAL 34 2HG2 VAL 34 2.564 -0.958 5.779 255 H CYS 35 H CYS 35 3.883 -5.027 4.587 256 HA CYS 35 HA CYS 35 1.600 -5.547 6.215 257 1HB CYS 35 1HB CYS 35 3.333 -7.517 4.676 258 2HB CYS 35 2HB CYS 35 1.673 -7.764 5.212 259 H ASP 36 H ASP 36 4.998 -7.005 6.322 260 HA ASP 36 HA ASP 36 4.380 -8.515 8.647 261 1HB ASP 36 1HB ASP 36 6.492 -8.782 7.283 262 2HB ASP 36 2HB ASP 36 7.150 -7.409 8.210 263 H LYS 37 H LYS 37 5.459 -5.149 8.401 264 HA LYS 37 HA LYS 37 5.923 -4.860 11.217 265 1HB LYS 37 1HB LYS 37 6.902 -3.563 9.227 266 2HB LYS 37 2HB LYS 37 5.409 -2.615 9.211 267 1HG LYS 37 1HG LYS 37 5.884 -1.872 11.525 268 2HG LYS 37 2HG LYS 37 7.311 -2.914 11.589 269 1HD LYS 37 1HD LYS 37 6.931 -0.524 9.738 270 2HD LYS 37 2HD LYS 37 7.905 -0.557 11.214 271 1HE LYS 37 1HE LYS 37 9.310 -2.398 10.153 272 2HE LYS 37 2HE LYS 37 8.425 -2.127 8.649 273 1HZ LYS 37 3HZ LYS 37 10.099 -0.104 10.027 274 2HZ LYS 37 1HZ LYS 37 10.505 -0.926 8.670 275 3HZ LYS 37 2HZ LYS 37 9.266 0.137 8.626 276 H LEU 38 H LEU 38 3.135 -4.025 9.066 277 HA LEU 38 HA LEU 38 1.503 -3.217 11.399 278 1HB LEU 38 1HB LEU 38 0.820 -3.689 8.459 279 2HB LEU 38 2HB LEU 38 -0.325 -3.146 9.677 280 HG LEU 38 HG LEU 38 2.145 -1.564 8.835 281 1HD1 LEU 38 1HD1 LEU 38 -0.790 -1.284 8.041 282 2HD1 LEU 38 2HD1 LEU 38 0.512 -0.161 7.602 283 3HD1 LEU 38 3HD1 LEU 38 0.544 -1.820 6.994 284 1HD2 LEU 38 1HD2 LEU 38 -0.271 -0.811 10.545 285 2HD2 LEU 38 2HD2 LEU 38 1.411 -0.968 11.102 286 3HD2 LEU 38 3HD2 LEU 38 0.978 0.317 9.970 287 H LYS 39 H LYS 39 1.992 -5.324 12.538 288 HA LYS 39 HA LYS 39 1.039 -7.650 11.109 289 1HB LYS 39 1HB LYS 39 1.524 -9.012 13.123 290 2HB LYS 39 2HB LYS 39 2.821 -8.309 12.208 291 1HG LYS 39 1HG LYS 39 1.987 -6.661 14.545 292 2HG LYS 39 2HG LYS 39 2.541 -8.283 14.975 293 1HD LYS 39 1HD LYS 39 4.095 -6.348 13.220 294 2HD LYS 39 2HD LYS 39 4.389 -6.571 14.943 295 1HE LYS 39 1HE LYS 39 5.383 -8.671 14.665 296 2HE LYS 39 2HE LYS 39 4.457 -9.028 13.205 297 1HZ LYS 39 1HZ LYS 39 5.789 -7.430 12.003 298 2HZ LYS 39 2HZ LYS 39 6.789 -7.223 13.310 299 3HZ LYS 39 3HZ LYS 39 6.661 -8.645 12.476 300 H ILE 40 H ILE 40 -0.498 -9.228 12.130 301 HA ILE 40 HA ILE 40 -2.628 -9.812 12.584 302 HB ILE 40 HB ILE 40 -3.209 -6.987 13.584 303 1HG1 ILE 40 1HG1 ILE 40 -1.541 -7.972 15.054 304 2HG1 ILE 40 2HG1 ILE 40 -3.100 -7.899 15.848 305 1HG2 ILE 40 3HG2 ILE 40 -4.850 -9.530 13.753 306 2HG2 ILE 40 1HG2 ILE 40 -5.196 -8.014 14.612 307 3HG2 ILE 40 2HG2 ILE 40 -5.231 -8.052 12.852 308 1HD1 ILE 40 1HD1 ILE 40 -3.430 -10.340 15.437 309 2HD1 ILE 40 2HD1 ILE 40 -1.830 -10.407 14.655 310 3HD1 ILE 40 3HD1 ILE 40 -1.967 -9.995 16.370 311 H LEU 41 H LEU 41 -2.363 -6.458 11.289 312 HA LEU 41 HA LEU 41 -4.284 -6.966 9.149 313 1HB LEU 41 1HB LEU 41 -3.931 -4.839 10.420 314 2HB LEU 41 2HB LEU 41 -2.307 -4.717 9.755 315 HG LEU 41 HG LEU 41 -3.208 -4.313 7.518 316 1HD1 LEU 41 2HD1 LEU 41 -5.969 -4.498 8.824 317 2HD1 LEU 41 3HD1 LEU 41 -5.619 -3.985 7.154 318 3HD1 LEU 41 1HD1 LEU 41 -5.306 -5.651 7.649 319 1HD2 LEU 41 3HD2 LEU 41 -4.480 -2.610 9.709 320 2HD2 LEU 41 1HD2 LEU 41 -2.854 -2.412 9.017 321 3HD2 LEU 41 2HD2 LEU 41 -4.287 -2.117 8.020 322 H ARG 42 H ARG 42 -1.270 -8.013 9.582 323 HA ARG 42 HA ARG 42 0.260 -7.849 7.255 324 1HB ARG 42 1HB ARG 42 0.823 -8.842 9.475 325 2HB ARG 42 2HB ARG 42 -0.215 -10.216 9.142 326 1HG ARG 42 1HG ARG 42 1.392 -10.904 7.326 327 2HG ARG 42 2HG ARG 42 2.413 -9.514 7.766 328 1HD ARG 42 1HD ARG 42 2.326 -10.408 10.187 329 2HD ARG 42 2HD ARG 42 1.617 -11.880 9.533 330 HE ARG 42 HE ARG 42 4.388 -10.817 9.019 331 1HH1 ARG 42 2HH2 ARG 42 2.353 -13.729 9.434 332 2HH1 ARG 42 1HH2 ARG 42 3.735 -14.745 9.629 333 1HH2 ARG 42 2HH1 ARG 42 6.030 -12.054 9.293 334 2HH2 ARG 42 1HH1 ARG 42 5.962 -13.784 9.495 335 H GLY 43 H GLY 43 -2.447 -10.070 8.047 336 1HA GLY 43 1HA GLY 43 -2.278 -11.728 5.743 337 2HA GLY 43 2HA GLY 43 -3.716 -11.483 6.751 338 H LEU 44 H LEU 44 -4.483 -8.936 6.429 339 HA LEU 44 HA LEU 44 -5.718 -9.035 3.892 340 1HB LEU 44 1HB LEU 44 -6.475 -7.790 6.079 341 2HB LEU 44 2HB LEU 44 -5.436 -6.482 5.503 342 HG LEU 44 HG LEU 44 -6.767 -6.625 3.277 343 1HD1 LEU 44 3HD1 LEU 44 -8.639 -8.202 5.114 344 2HD1 LEU 44 1HD1 LEU 44 -9.077 -7.549 3.535 345 3HD1 LEU 44 2HD1 LEU 44 -7.860 -8.818 3.642 346 1HD2 LEU 44 2HD2 LEU 44 -8.213 -5.755 5.814 347 2HD2 LEU 44 3HD2 LEU 44 -7.051 -4.783 4.874 348 3HD2 LEU 44 1HD2 LEU 44 -8.604 -5.242 4.163 349 H CYS 45 H CYS 45 -3.012 -6.973 5.098 350 HA CYS 45 HA CYS 45 -2.387 -5.579 2.819 351 1HB CYS 45 1HB CYS 45 -1.478 -5.312 5.086 352 2HB CYS 45 2HB CYS 45 -0.573 -6.806 4.929 353 H LYS 46 H LYS 46 -0.906 -8.809 3.683 354 HA LYS 46 HA LYS 46 0.441 -8.937 1.164 355 1HB LYS 46 1HB LYS 46 -0.356 -11.238 2.989 356 2HB LYS 46 2HB LYS 46 0.686 -11.400 1.581 357 1HG LYS 46 1HG LYS 46 1.300 -9.777 4.073 358 2HG LYS 46 2HG LYS 46 1.975 -11.345 3.683 359 1HD LYS 46 1HD LYS 46 2.419 -8.854 1.998 360 2HD LYS 46 2HD LYS 46 3.454 -9.298 3.332 361 1HE LYS 46 1HE LYS 46 2.993 -11.311 1.119 362 2HE LYS 46 2HE LYS 46 4.039 -9.920 0.820 363 1HZ LYS 46 1HZ LYS 46 5.393 -10.560 2.703 364 2HZ LYS 46 2HZ LYS 46 4.463 -11.892 2.978 365 3HZ LYS 46 3HZ LYS 46 5.332 -11.760 1.593 366 H LYS 47 H LYS 47 -2.869 -10.057 2.028 367 HA LYS 47 HA LYS 47 -3.352 -11.292 -0.500 368 1HB LYS 47 1HB LYS 47 -4.893 -11.544 1.394 369 2HB LYS 47 2HB LYS 47 -5.361 -9.852 1.304 370 1HG LYS 47 1HG LYS 47 -5.723 -11.706 -1.092 371 2HG LYS 47 2HG LYS 47 -6.865 -11.715 0.247 372 1HD LYS 47 1HD LYS 47 -7.282 -9.283 -0.084 373 2HD LYS 47 2HD LYS 47 -6.293 -9.303 -1.539 374 1HE LYS 47 1HE LYS 47 -8.733 -11.082 -1.130 375 2HE LYS 47 2HE LYS 47 -8.814 -9.474 -1.850 376 1HZ LYS 47 1HZ LYS 47 -7.244 -11.707 -2.984 377 2HZ LYS 47 2HZ LYS 47 -8.712 -11.206 -3.513 378 3HZ LYS 47 3HZ LYS 47 -7.433 -10.214 -3.666 379 H ILE 48 H ILE 48 -3.905 -7.850 0.517 380 HA ILE 48 HA ILE 48 -4.955 -7.002 -1.969 381 HB ILE 48 HB ILE 48 -3.534 -5.528 0.272 382 1HG1 ILE 48 1HG1 ILE 48 -6.442 -5.444 -0.679 383 2HG1 ILE 48 2HG1 ILE 48 -5.878 -6.560 0.554 384 1HG2 ILE 48 1HG2 ILE 48 -4.831 -4.284 -2.203 385 2HG2 ILE 48 2HG2 ILE 48 -4.273 -3.391 -0.774 386 3HG2 ILE 48 3HG2 ILE 48 -3.107 -4.220 -1.784 387 1HD1 ILE 48 1HD1 ILE 48 -5.164 -4.643 1.977 388 2HD1 ILE 48 2HD1 ILE 48 -5.871 -3.526 0.783 389 3HD1 ILE 48 3HD1 ILE 48 -6.906 -4.674 1.637 390 H MET 49 H MET 49 -1.536 -6.993 -0.815 391 HA MET 49 HA MET 49 -0.418 -5.956 -3.210 392 1HB MET 49 1HB MET 49 0.854 -7.942 -1.274 393 2HB MET 49 2HB MET 49 1.694 -6.957 -2.468 394 1HG MET 49 1HG MET 49 0.278 -6.027 0.029 395 2HG MET 49 2HG MET 49 1.979 -5.889 -0.357 396 1HE MET 49 1HE MET 49 -0.498 -3.754 0.649 397 2HE MET 49 2HE MET 49 1.236 -3.377 0.796 398 3HE MET 49 3HE MET 49 0.150 -2.258 -0.056 399 H ARG 50 H ARG 50 -0.909 -9.505 -2.366 400 HA ARG 50 HA ARG 50 0.155 -10.286 -4.914 401 1HB ARG 50 1HB ARG 50 -0.265 -11.726 -2.829 402 2HB ARG 50 2HB ARG 50 -1.926 -11.906 -3.362 403 1HG ARG 50 1HG ARG 50 0.344 -12.513 -5.294 404 2HG ARG 50 2HG ARG 50 -0.025 -13.671 -4.025 405 1HD ARG 50 1HD ARG 50 -2.182 -14.138 -4.843 406 2HD ARG 50 2HD ARG 50 -2.237 -12.729 -5.881 407 HE ARG 50 HE ARG 50 -0.905 -15.285 -6.381 408 1HH1 ARG 50 2HH2 ARG 50 -1.299 -11.911 -7.555 409 2HH1 ARG 50 1HH2 ARG 50 -0.810 -12.292 -9.156 410 1HH2 ARG 50 2HH1 ARG 50 -0.230 -15.748 -8.542 411 2HH2 ARG 50 1HH1 ARG 50 -0.172 -14.506 -9.720 412 H SER 51 H SER 51 -3.047 -9.406 -3.897 413 HA SER 51 HA SER 51 -4.502 -10.341 -6.176 414 1HB SER 51 1HB SER 51 -5.302 -9.736 -3.812 415 2HB SER 51 2HB SER 51 -5.302 -8.045 -4.330 416 HG SER 51 HG SER 51 -6.848 -8.685 -5.910 417 H PHE 52 H PHE 52 -3.181 -7.055 -5.353 418 HA PHE 52 HA PHE 52 -3.540 -6.253 -8.198 419 1HB PHE 52 1HB PHE 52 -4.245 -4.501 -5.821 420 2HB PHE 52 2HB PHE 52 -4.604 -4.225 -7.518 421 HD1 PHE 52 HD1 PHE 52 -6.083 -6.407 -8.543 422 HD2 PHE 52 HD2 PHE 52 -6.129 -4.809 -4.532 423 HE1 PHE 52 HE1 PHE 52 -8.395 -7.229 -8.236 424 HE2 PHE 52 HE2 PHE 52 -8.456 -5.614 -4.245 425 HZ PHE 52 HZ PHE 52 -9.593 -6.826 -6.094 426 H LEU 53 H LEU 53 -1.077 -7.070 -7.416 427 HA LEU 53 HA LEU 53 0.491 -5.413 -5.919 428 1HB LEU 53 1HB LEU 53 1.019 -7.703 -7.062 429 2HB LEU 53 2HB LEU 53 1.576 -6.764 -8.419 430 HG LEU 53 HG LEU 53 3.470 -7.358 -7.151 431 1HD1 LEU 53 3HD1 LEU 53 3.503 -4.936 -7.852 432 2HD1 LEU 53 1HD1 LEU 53 3.008 -4.508 -6.190 433 3HD1 LEU 53 2HD1 LEU 53 4.538 -5.327 -6.480 434 1HD2 LEU 53 3HD2 LEU 53 2.339 -7.970 -5.056 435 2HD2 LEU 53 1HD2 LEU 53 3.775 -6.973 -4.766 436 3HD2 LEU 53 2HD2 LEU 53 2.162 -6.243 -4.647 437 H ARG 54 H ARG 54 0.554 -5.203 -9.564 438 HA ARG 54 HA ARG 54 2.071 -2.828 -9.368 439 1HB ARG 54 1HB ARG 54 1.866 -4.387 -11.392 440 2HB ARG 54 2HB ARG 54 0.417 -3.458 -11.841 441 1HG ARG 54 1HG ARG 54 1.751 -1.374 -11.929 442 2HG ARG 54 2HG ARG 54 3.114 -2.230 -11.203 443 1HD ARG 54 1HD ARG 54 3.125 -3.680 -13.336 444 2HD ARG 54 2HD ARG 54 2.090 -2.410 -14.031 445 HE ARG 54 HE ARG 54 4.604 -1.595 -12.665 446 1HH1 ARG 54 2HH2 ARG 54 3.016 -1.969 -15.827 447 2HH1 ARG 54 1HH2 ARG 54 4.330 -1.242 -16.692 448 1HH2 ARG 54 2HH1 ARG 54 6.308 -0.918 -13.769 449 2HH2 ARG 54 1HH1 ARG 54 6.304 -0.520 -15.464 450 H ARG 55 H ARG 55 -1.415 -3.108 -8.819 451 HA ARG 55 HA ARG 55 -1.983 -0.458 -9.672 452 1HB ARG 55 1HB ARG 55 -3.314 -2.405 -7.760 453 2HB ARG 55 2HB ARG 55 -3.813 -0.773 -7.822 454 1HG ARG 55 1HG ARG 55 -3.924 -2.645 -10.190 455 2HG ARG 55 2HG ARG 55 -5.241 -2.419 -9.057 456 1HD ARG 55 1HD ARG 55 -4.336 0.098 -10.365 457 2HD ARG 55 2HD ARG 55 -4.968 -1.114 -11.464 458 HE ARG 55 HE ARG 55 -6.936 -1.173 -9.697 459 1HH1 ARG 55 2HH2 ARG 55 -5.464 1.819 -11.099 460 2HH1 ARG 55 1HH2 ARG 55 -6.920 2.698 -10.762 461 1HH2 ARG 55 2HH1 ARG 55 -8.885 0.237 -9.452 462 2HH2 ARG 55 1HH1 ARG 55 -8.624 1.894 -9.778 463 H ILE 56 H ILE 56 -0.943 -2.075 -6.556 464 HA ILE 56 HA ILE 56 -1.073 0.361 -5.076 465 HB ILE 56 HB ILE 56 0.615 -2.099 -4.491 466 1HG1 ILE 56 1HG1 ILE 56 -1.525 -2.998 -4.544 467 2HG1 ILE 56 2HG1 ILE 56 -1.382 -2.536 -2.869 468 1HG2 ILE 56 2HG2 ILE 56 -0.315 0.212 -2.742 469 2HG2 ILE 56 3HG2 ILE 56 0.402 -1.294 -2.117 470 3HG2 ILE 56 1HG2 ILE 56 1.352 -0.229 -3.142 471 1HD1 ILE 56 1HD1 ILE 56 -2.674 -0.388 -3.471 472 2HD1 ILE 56 2HD1 ILE 56 -2.998 -1.139 -5.045 473 3HD1 ILE 56 3HD1 ILE 56 -3.574 -1.922 -3.579 474 H SER 57 H SER 57 1.468 -0.887 -7.218 475 HA SER 57 HA SER 57 3.409 1.048 -6.354 476 1HB SER 57 1HB SER 57 4.078 -0.960 -7.613 477 2HB SER 57 2HB SER 57 2.987 -0.540 -8.944 478 HG SER 57 HG SER 57 4.848 0.104 -9.660 479 H TRP 58 H TRP 58 1.232 1.064 -9.275 480 HA TRP 58 HA TRP 58 1.653 3.684 -10.112 481 1HB TRP 58 1HB TRP 58 0.191 2.786 -11.578 482 2HB TRP 58 2HB TRP 58 -0.537 1.733 -10.380 483 HD1 TRP 58 HD1 TRP 58 -0.779 5.479 -11.384 484 HE1 TRP 58 HE1 TRP 58 -3.016 6.395 -10.699 485 HE3 TRP 58 HE3 TRP 58 -2.684 1.303 -9.258 486 HZ2 TRP 58 HZ2 TRP 58 -5.440 5.361 -9.240 487 HZ3 TRP 58 HZ3 TRP 58 -4.805 1.269 -8.154 488 HH2 TRP 58 HH2 TRP 58 -6.180 3.280 -8.010 489 H ASP 59 H ASP 59 -0.522 2.593 -7.536 490 HA ASP 59 HA ASP 59 -1.728 5.014 -6.851 491 1HB ASP 59 1HB ASP 59 -1.003 2.575 -5.166 492 2HB ASP 59 2HB ASP 59 -1.733 3.962 -4.455 493 HD2 ASP 59 HD2 ASP 59 -4.241 1.718 -6.223 494 H ILE 60 H ILE 60 1.315 3.685 -5.363 495 HA ILE 60 HA ILE 60 1.733 6.043 -3.785 496 HB ILE 60 HB ILE 60 3.917 4.129 -4.655 497 1HG1 ILE 60 1HG1 ILE 60 2.541 2.587 -3.633 498 2HG1 ILE 60 2HG1 ILE 60 3.522 3.136 -2.307 499 1HG2 ILE 60 2HG2 ILE 60 4.578 6.284 -3.559 500 2HG2 ILE 60 3HG2 ILE 60 3.544 5.899 -2.183 501 3HG2 ILE 60 1HG2 ILE 60 4.955 4.889 -2.552 502 1HD1 ILE 60 2HD1 ILE 60 1.595 4.581 -1.580 503 2HD1 ILE 60 3HD1 ILE 60 0.618 3.777 -2.845 504 3HD1 ILE 60 1HD1 ILE 60 1.318 2.818 -1.538 505 H LEU 61 H LEU 61 3.129 4.920 -6.898 506 HA LEU 61 HA LEU 61 4.911 7.021 -7.338 507 1HB LEU 61 1HB LEU 61 3.340 5.388 -9.365 508 2HB LEU 61 2HB LEU 61 4.706 6.414 -9.777 509 HG LEU 61 HG LEU 61 4.936 4.053 -7.863 510 1HD1 LEU 61 1HD1 LEU 61 5.539 4.203 -10.850 511 2HD1 LEU 61 2HD1 LEU 61 5.902 2.835 -9.776 512 3HD1 LEU 61 3HD1 LEU 61 4.226 3.274 -10.087 513 1HD2 LEU 61 3HD2 LEU 61 7.091 5.589 -9.365 514 2HD2 LEU 61 1HD2 LEU 61 6.768 5.693 -7.620 515 3HD2 LEU 61 2HD2 LEU 61 7.314 4.170 -8.322 516 H THR 62 H THR 62 1.416 6.986 -8.055 517 HA THR 62 HA THR 62 1.602 9.651 -9.326 518 HB THR 62 HB THR 62 -0.887 9.425 -9.545 519 HG1 THR 62 HG1 THR 62 -0.384 6.762 -8.679 520 1HG2 THR 62 3HG2 THR 62 0.682 8.862 -11.357 521 2HG2 THR 62 1HG2 THR 62 0.775 7.190 -10.773 522 3HG2 THR 62 2HG2 THR 62 -0.765 7.848 -11.391 523 H GLY 63 H GLY 63 2.044 8.874 -6.293 524 1HA GLY 63 1HA GLY 63 1.579 9.580 -4.218 525 2HA GLY 63 2HA GLY 63 1.659 11.186 -4.964 526 H LYS 64 H LYS 64 -0.795 8.513 -5.185 527 HA LYS 64 HA LYS 64 -2.854 10.639 -4.884 528 1HB LYS 64 1HB LYS 64 -3.093 8.992 -6.652 529 2HB LYS 64 2HB LYS 64 -2.978 7.647 -5.522 530 1HG LYS 64 1HG LYS 64 -5.176 7.725 -5.009 531 2HG LYS 64 2HG LYS 64 -5.175 9.475 -4.820 532 1HD LYS 64 1HD LYS 64 -6.732 8.690 -6.544 533 2HD LYS 64 2HD LYS 64 -5.538 9.844 -7.153 534 1HE LYS 64 1HE LYS 64 -4.301 8.107 -8.285 535 2HE LYS 64 2HE LYS 64 -5.234 6.827 -7.499 536 1HZ LYS 64 3HZ LYS 64 -6.582 8.792 -9.247 537 2HZ LYS 64 1HZ LYS 64 -5.891 7.422 -9.844 538 3HZ LYS 64 2HZ LYS 64 -7.084 7.273 -8.802 539 H LYS 65 H LYS 65 -4.160 10.714 -3.020 540 HA LYS 65 HA LYS 65 -2.723 9.734 -0.694 541 1HB LYS 65 1HB LYS 65 -5.344 11.265 -0.932 542 2HB LYS 65 2HB LYS 65 -4.574 10.915 0.605 543 1HG LYS 65 1HG LYS 65 -3.449 12.640 -1.649 544 2HG LYS 65 2HG LYS 65 -3.994 13.144 -0.060 545 1HD LYS 65 1HD LYS 65 -1.733 13.220 0.274 546 2HD LYS 65 2HD LYS 65 -2.056 11.579 0.833 547 1HE LYS 65 1HE LYS 65 -1.403 10.806 -1.553 548 2HE LYS 65 2HE LYS 65 -0.894 12.454 -1.870 549 1HZ LYS 65 1HZ LYS 65 0.206 10.730 0.308 550 2HZ LYS 65 2HZ LYS 65 0.816 10.781 -1.108 551 3HZ LYS 65 3HZ LYS 65 0.832 12.183 -0.224 552 HA PRO 66 HA PRO 66 -4.176 5.864 0.169 553 1HB PRO 66 1HB PRO 66 -4.876 5.870 2.878 554 2HB PRO 66 2HB PRO 66 -3.222 5.757 2.231 555 1HG PRO 66 1HG PRO 66 -4.690 8.252 3.113 556 2HG PRO 66 2HG PRO 66 -3.008 7.747 3.506 557 1HD PRO 66 1HD PRO 66 -3.365 9.509 1.587 558 2HD PRO 66 2HD PRO 66 -2.284 8.124 1.247 559 H GLN 67 H GLN 67 -6.493 8.135 1.748 560 HA GLN 67 HA GLN 67 -8.704 6.407 1.739 561 1HB GLN 67 1HB GLN 67 -8.386 8.738 2.841 562 2HB GLN 67 2HB GLN 67 -8.807 9.418 1.271 563 1HG GLN 67 1HG GLN 67 -10.790 9.423 2.567 564 2HG GLN 67 2HG GLN 67 -10.999 8.116 1.400 565 1HE2 GLN 67 2HE2 GLN 67 -12.151 6.744 4.618 566 2HE2 GLN 67 1HE2 GLN 67 -12.708 7.890 3.409 567 H ALA 68 H ALA 68 -7.332 8.389 -0.868 568 HA ALA 68 HA ALA 68 -9.630 7.960 -2.649 569 1HB ALA 68 1HB ALA 68 -8.369 10.075 -2.770 570 2HB ALA 68 2HB ALA 68 -6.882 9.184 -3.173 571 3HB ALA 68 3HB ALA 68 -8.256 9.177 -4.294 572 H ILE 69 H ILE 69 -6.289 6.658 -2.208 573 HA ILE 69 HA ILE 69 -6.219 4.962 -4.469 574 HB ILE 69 HB ILE 69 -5.031 4.725 -1.663 575 1HG1 ILE 69 1HG1 ILE 69 -3.708 5.329 -4.330 576 2HG1 ILE 69 2HG1 ILE 69 -4.222 6.537 -3.215 577 1HG2 ILE 69 3HG2 ILE 69 -4.883 2.748 -3.927 578 2HG2 ILE 69 1HG2 ILE 69 -3.555 2.865 -2.762 579 3HG2 ILE 69 2HG2 ILE 69 -5.175 2.461 -2.212 580 1HD1 ILE 69 3HD1 ILE 69 -2.207 4.438 -2.328 581 2HD1 ILE 69 1HD1 ILE 69 -1.749 5.900 -3.188 582 3HD1 ILE 69 2HD1 ILE 69 -2.578 6.033 -1.637 583 H CYS 70 H CYS 70 -7.439 4.228 -1.192 584 HA CYS 70 HA CYS 70 -8.413 1.610 -1.720 585 1HB CYS 70 1HB CYS 70 -9.353 3.700 0.293 586 2HB CYS 70 2HB CYS 70 -9.666 1.959 0.381 587 H VAL 71 H VAL 71 -10.058 4.796 -2.299 588 HA VAL 71 HA VAL 71 -12.567 3.472 -2.994 589 HB VAL 71 HB VAL 71 -11.497 6.267 -3.512 590 1HG1 VAL 71 1HG1 VAL 71 -14.259 5.115 -4.153 591 2HG1 VAL 71 2HG1 VAL 71 -13.840 6.842 -4.177 592 3HG1 VAL 71 3HG1 VAL 71 -13.083 5.735 -5.323 593 1HG2 VAL 71 2HG2 VAL 71 -12.122 5.661 -1.129 594 2HG2 VAL 71 3HG2 VAL 71 -13.124 6.935 -1.828 595 3HG2 VAL 71 1HG2 VAL 71 -13.762 5.289 -1.709 596 H ASP 72 H ASP 72 -9.754 4.780 -4.923 597 HA ASP 72 HA ASP 72 -10.765 4.256 -7.454 598 1HB ASP 72 1HB ASP 72 -8.736 5.585 -6.743 599 2HB ASP 72 2HB ASP 72 -7.850 4.078 -6.604 600 H ILE 73 H ILE 73 -8.736 2.084 -5.455 601 HA ILE 73 HA ILE 73 -9.024 -0.077 -7.438 602 HB ILE 73 HB ILE 73 -7.529 -1.348 -6.127 603 1HG1 ILE 73 1HG1 ILE 73 -8.015 0.711 -3.933 604 2HG1 ILE 73 2HG1 ILE 73 -8.262 -1.015 -3.901 605 1HG2 ILE 73 2HG2 ILE 73 -6.784 0.589 -7.554 606 2HG2 ILE 73 3HG2 ILE 73 -6.510 1.501 -6.063 607 3HG2 ILE 73 1HG2 ILE 73 -5.613 -0.014 -6.371 608 1HD1 ILE 73 1HD1 ILE 73 -5.823 -1.368 -4.169 609 2HD1 ILE 73 2HD1 ILE 73 -5.583 0.399 -4.072 610 3HD1 ILE 73 3HD1 ILE 73 -6.241 -0.467 -2.679 611 H LYS 74 H LYS 74 -11.025 1.060 -5.187 612 HA LYS 74 HA LYS 74 -12.978 0.607 -4.421 613 1HB LYS 74 1HB LYS 74 -13.282 -0.038 -6.798 614 2HB LYS 74 2HB LYS 74 -13.109 -1.746 -6.306 615 1HG LYS 74 1HG LYS 74 -14.916 -1.289 -4.579 616 2HG LYS 74 2HG LYS 74 -15.132 0.281 -5.292 617 1HD LYS 74 1HD LYS 74 -15.724 -2.410 -6.481 618 2HD LYS 74 2HD LYS 74 -16.867 -1.133 -6.166 619 1HE LYS 74 1HE LYS 74 -14.684 -1.008 -8.310 620 2HE LYS 74 2HE LYS 74 -16.362 -1.500 -8.594 621 1HZ LYS 74 3HZ LYS 74 -17.007 0.728 -7.706 622 2HZ LYS 74 1HZ LYS 74 -15.536 1.193 -7.645 623 3HZ LYS 74 2HZ LYS 74 -16.164 0.831 -9.135 624 H ILE 75 H ILE 75 -11.811 0.257 -2.562 625 HA ILE 75 HA ILE 75 -12.397 -2.331 -1.202 626 HB ILE 75 HB ILE 75 -9.931 -0.547 -1.028 627 1HG1 ILE 75 1HG1 ILE 75 -10.226 -3.482 -1.860 628 2HG1 ILE 75 2HG1 ILE 75 -9.956 -2.130 -2.954 629 1HG2 ILE 75 3HG2 ILE 75 -10.652 -2.973 0.652 630 2HG2 ILE 75 1HG2 ILE 75 -9.048 -2.229 0.635 631 3HG2 ILE 75 2HG2 ILE 75 -10.391 -1.291 1.224 632 1HD1 ILE 75 1HD1 ILE 75 -7.836 -1.632 -1.561 633 2HD1 ILE 75 2HD1 ILE 75 -8.021 -3.288 -0.946 634 3HD1 ILE 75 3HD1 ILE 75 -7.815 -3.015 -2.685 635 H CYS 76 H CYS 76 -12.697 1.164 -1.186 636 HA CYS 76 HA CYS 76 -12.927 1.323 1.682 637 1HB CYS 76 1HB CYS 76 -12.016 3.107 0.197 638 2HB CYS 76 2HB CYS 76 -13.616 3.353 -0.468 639 H LYS 77 H LYS 77 -15.359 3.112 -0.031 640 HA LYS 77 HA LYS 77 -17.719 1.674 0.432 641 1HB LYS 77 1HB LYS 77 -17.407 2.041 2.784 642 2HB LYS 77 2HB LYS 77 -16.859 3.693 2.549 643 1HG LYS 77 1HG LYS 77 -19.221 3.259 3.524 644 2HG LYS 77 2HG LYS 77 -18.955 4.536 2.383 645 1HD LYS 77 1HD LYS 77 -19.858 2.569 0.652 646 2HD LYS 77 2HD LYS 77 -20.657 2.113 2.147 647 1HE LYS 77 1HE LYS 77 -22.140 3.597 1.009 648 2HE LYS 77 2HE LYS 77 -21.452 4.538 2.345 649 1HZ LYS 77 2HZ LYS 77 -19.828 5.391 0.537 650 2HZ LYS 77 3HZ LYS 77 -20.732 4.662 -0.533 651 3HZ LYS 77 1HZ LYS 77 -21.404 5.855 0.307 652 H GLU 78 H GLU 78 -17.398 2.342 -1.807 653 HA GLU 78 HA GLU 78 -17.494 5.073 -2.659 654 1HB GLU 78 1HB GLU 78 -18.892 2.738 -4.020 655 2HB GLU 78 2HB GLU 78 -18.195 4.186 -4.743 656 1HG GLU 78 1HG GLU 78 -15.890 3.232 -4.063 657 2HG GLU 78 2HG GLU 78 -16.738 1.736 -3.659 No H/Q in entry = 657 Start of MODEL 8 1 1H GLY 1 3H GLY 1 -16.819 -3.055 3.701 2 2H GLY 1 1H GLY 1 -17.994 -2.684 4.783 3 3H GLY 1 2H GLY 1 -17.775 -1.732 3.446 4 1HA GLY 1 1HA GLY 1 -15.645 -1.046 4.171 5 2HA GLY 1 2HA GLY 1 -16.854 -0.693 5.441 6 H TYR 2 H TYR 2 -15.373 -0.889 7.277 7 HA TYR 2 HA TYR 2 -13.716 -1.561 8.586 8 1HB TYR 2 1HB TYR 2 -14.710 -3.623 9.163 9 2HB TYR 2 2HB TYR 2 -14.369 -4.353 7.607 10 HD1 TYR 2 HD2 TYR 2 -12.746 -3.184 10.779 11 HD2 TYR 2 HD1 TYR 2 -12.299 -5.439 7.119 12 HE1 TYR 2 HE2 TYR 2 -10.619 -4.102 11.607 13 HE2 TYR 2 HE1 TYR 2 -10.155 -6.356 7.951 14 HH TYR 2 HH TYR 2 -8.874 -5.578 11.190 15 H PHE 3 H PHE 3 -13.433 -3.169 5.444 16 HA PHE 3 HA PHE 3 -10.796 -3.126 4.887 17 1HB PHE 3 1HB PHE 3 -13.208 -2.404 3.191 18 2HB PHE 3 2HB PHE 3 -11.585 -2.494 2.540 19 HD1 PHE 3 HD2 PHE 3 -10.224 -4.601 2.711 20 HD2 PHE 3 HD1 PHE 3 -14.500 -4.409 3.279 21 HE1 PHE 3 HE2 PHE 3 -10.429 -7.011 2.124 22 HE2 PHE 3 HE1 PHE 3 -14.685 -6.812 2.728 23 HZ PHE 3 HZ PHE 3 -12.659 -8.093 2.135 24 H CYS 4 H CYS 4 -12.888 -0.131 4.689 25 HA CYS 4 HA CYS 4 -11.038 1.361 3.292 26 1HB CYS 4 1HB CYS 4 -13.411 2.084 3.882 27 2HB CYS 4 2HB CYS 4 -12.793 2.588 5.458 28 H GLU 5 H GLU 5 -11.329 1.545 6.928 29 HA GLU 5 HA GLU 5 -8.997 3.136 7.207 30 1HB GLU 5 1HB GLU 5 -10.579 3.069 8.995 31 2HB GLU 5 2HB GLU 5 -10.446 1.319 9.149 32 1HG GLU 5 1HG GLU 5 -9.272 2.530 10.961 33 2HG GLU 5 2HG GLU 5 -8.223 1.458 10.052 34 H SER 6 H SER 6 -9.464 -0.416 7.412 35 HA SER 6 HA SER 6 -6.872 -1.214 7.985 36 1HB SER 6 1HB SER 6 -8.820 -2.572 6.073 37 2HB SER 6 2HB SER 6 -7.527 -3.332 7.010 38 HG SER 6 HG SER 6 -10.010 -2.325 7.888 39 H CYS 7 H CYS 7 -8.225 -0.621 4.725 40 HA CYS 7 HA CYS 7 -5.907 -1.157 3.159 41 1HB CYS 7 1HB CYS 7 -8.168 -1.174 2.268 42 2HB CYS 7 2HB CYS 7 -8.423 0.500 2.711 43 H ARG 8 H ARG 8 -7.380 1.901 4.361 44 HA ARG 8 HA ARG 8 -5.431 3.644 3.311 45 1HB ARG 8 1HB ARG 8 -7.515 4.513 4.024 46 2HB ARG 8 2HB ARG 8 -7.385 3.819 5.630 47 1HG ARG 8 1HG ARG 8 -5.202 5.745 4.994 48 2HG ARG 8 2HG ARG 8 -6.822 6.446 4.955 49 1HD ARG 8 1HD ARG 8 -7.308 5.776 7.166 50 2HD ARG 8 2HD ARG 8 -5.887 4.724 7.281 51 HE ARG 8 HE ARG 8 -4.755 7.179 6.834 52 1HH1 ARG 8 2HH2 ARG 8 -7.110 5.987 9.241 53 2HH1 ARG 8 1HH2 ARG 8 -6.744 7.218 10.389 54 1HH2 ARG 8 2HH1 ARG 8 -4.112 8.608 8.334 55 2HH2 ARG 8 1HH1 ARG 8 -4.926 8.817 9.858 56 H LYS 9 H LYS 9 -5.494 1.921 6.505 57 HA LYS 9 HA LYS 9 -3.108 3.054 7.472 58 1HB LYS 9 1HB LYS 9 -4.892 1.782 8.745 59 2HB LYS 9 2HB LYS 9 -4.344 0.304 7.982 60 1HG LYS 9 1HG LYS 9 -3.485 0.474 10.222 61 2HG LYS 9 2HG LYS 9 -2.169 0.479 9.047 62 1HD LYS 9 1HD LYS 9 -1.823 2.086 10.951 63 2HD LYS 9 2HD LYS 9 -1.773 2.836 9.360 64 1HE LYS 9 1HE LYS 9 -3.054 4.282 10.831 65 2HE LYS 9 2HE LYS 9 -4.130 3.580 9.620 66 1HZ LYS 9 1HZ LYS 9 -4.636 1.873 11.412 67 2HZ LYS 9 2HZ LYS 9 -4.078 3.024 12.485 68 3HZ LYS 9 3HZ LYS 9 -5.327 3.312 11.420 69 H ILE 10 H ILE 10 -3.687 0.080 5.540 70 HA ILE 10 HA ILE 10 -0.997 -0.803 5.432 71 HB ILE 10 HB ILE 10 -3.381 -1.282 3.638 72 1HG1 ILE 10 1HG1 ILE 10 -1.849 -3.200 5.456 73 2HG1 ILE 10 2HG1 ILE 10 -3.133 -2.189 6.083 74 1HG2 ILE 10 1HG2 ILE 10 -0.622 -2.567 3.453 75 2HG2 ILE 10 2HG2 ILE 10 -2.067 -3.159 2.611 76 3HG2 ILE 10 3HG2 ILE 10 -1.405 -1.583 2.201 77 1HD1 ILE 10 1HD1 ILE 10 -3.510 -4.211 3.848 78 2HD1 ILE 10 2HD1 ILE 10 -3.959 -4.435 5.534 79 3HD1 ILE 10 3HD1 ILE 10 -4.770 -3.188 4.563 80 H ILE 11 H ILE 11 -2.778 1.373 3.116 81 HA ILE 11 HA ILE 11 -0.399 1.891 1.589 82 HB ILE 11 HB ILE 11 -2.976 3.466 1.898 83 1HG1 ILE 11 1HG1 ILE 11 -3.439 1.454 0.671 84 2HG1 ILE 11 2HG1 ILE 11 -3.379 2.777 -0.480 85 1HG2 ILE 11 3HG2 ILE 11 -0.671 4.029 -0.017 86 2HG2 ILE 11 1HG2 ILE 11 -2.279 4.774 -0.070 87 3HG2 ILE 11 2HG2 ILE 11 -1.225 5.078 1.291 88 1HD1 ILE 11 2HD1 ILE 11 -1.121 2.057 -1.198 89 2HD1 ILE 11 3HD1 ILE 11 -1.207 0.687 -0.060 90 3HD1 ILE 11 1HD1 ILE 11 -2.349 0.802 -1.404 91 H GLN 12 H GLN 12 -1.794 3.671 4.421 92 HA GLN 12 HA GLN 12 -0.050 5.852 4.266 93 1HB GLN 12 1HB GLN 12 -1.371 4.548 6.673 94 2HB GLN 12 2HB GLN 12 -0.454 6.047 6.789 95 1HG GLN 12 1HG GLN 12 -2.476 6.085 4.619 96 2HG GLN 12 2HG GLN 12 -3.146 5.825 6.225 97 1HE2 GLN 12 2HE2 GLN 12 -1.196 9.424 5.550 98 2HE2 GLN 12 1HE2 GLN 12 -0.796 8.101 4.504 99 H LYS 13 H LYS 13 0.511 2.739 6.012 100 HA LYS 13 HA LYS 13 3.110 3.701 6.888 101 1HB LYS 13 1HB LYS 13 1.816 2.010 8.148 102 2HB LYS 13 2HB LYS 13 2.124 0.845 6.863 103 1HG LYS 13 1HG LYS 13 3.571 0.655 8.928 104 2HG LYS 13 2HG LYS 13 4.407 0.683 7.391 105 1HD LYS 13 1HD LYS 13 5.639 1.925 9.067 106 2HD LYS 13 2HD LYS 13 5.151 2.967 7.746 107 1HE LYS 13 1HE LYS 13 3.406 3.983 9.068 108 2HE LYS 13 2HE LYS 13 3.744 2.910 10.446 109 1HZ LYS 13 1HZ LYS 13 5.891 4.552 9.292 110 2HZ LYS 13 2HZ LYS 13 4.859 5.343 10.090 111 3HZ LYS 13 3HZ LYS 13 5.713 4.137 10.883 112 H LEU 14 H LEU 14 1.952 2.304 3.888 113 HA LEU 14 HA LEU 14 4.549 1.472 2.903 114 1HB LEU 14 1HB LEU 14 2.124 0.981 1.888 115 2HB LEU 14 2HB LEU 14 2.309 2.541 1.136 116 HG LEU 14 HG LEU 14 2.979 1.132 -0.522 117 1HD1 LEU 14 1HD1 LEU 14 4.763 2.817 -0.207 118 2HD1 LEU 14 2HD1 LEU 14 5.656 1.674 0.823 119 3HD1 LEU 14 3HD1 LEU 14 5.396 1.300 -0.868 120 1HD2 LEU 14 2HD2 LEU 14 4.518 -0.502 1.507 121 2HD2 LEU 14 3HD2 LEU 14 2.987 -0.939 0.682 122 3HD2 LEU 14 1HD2 LEU 14 4.485 -0.784 -0.244 123 H GLU 15 H GLU 15 2.471 4.294 2.428 124 HA GLU 15 HA GLU 15 4.072 5.953 0.926 125 1HB GLU 15 1HB GLU 15 1.592 5.968 1.335 126 2HB GLU 15 2HB GLU 15 1.868 6.396 3.012 127 1HG GLU 15 1HG GLU 15 2.657 8.640 2.274 128 2HG GLU 15 2HG GLU 15 2.269 8.176 0.607 129 H ASP 16 H ASP 16 3.654 6.003 4.456 130 HA ASP 16 HA ASP 16 5.588 7.923 5.151 131 1HB ASP 16 1HB ASP 16 3.954 7.123 6.736 132 2HB ASP 16 2HB ASP 16 4.333 5.444 6.383 133 H MET 17 H MET 17 6.138 4.388 4.605 134 HA MET 17 HA MET 17 8.925 4.765 5.450 135 1HB MET 17 1HB MET 17 7.448 2.348 4.327 136 2HB MET 17 2HB MET 17 9.190 2.373 4.659 137 1HG MET 17 1HG MET 17 8.638 3.149 7.010 138 2HG MET 17 2HG MET 17 6.962 2.778 6.658 139 1HE MET 17 3HE MET 17 6.143 0.305 6.011 140 2HE MET 17 1HE MET 17 7.469 -0.108 4.897 141 3HE MET 17 2HE MET 17 7.097 -1.176 6.270 142 H VAL 18 H VAL 18 7.198 4.314 2.298 143 HA VAL 18 HA VAL 18 9.677 3.997 0.845 144 HB VAL 18 HB VAL 18 7.265 3.227 0.327 145 1HG1 VAL 18 3HG1 VAL 18 6.221 5.459 0.424 146 2HG1 VAL 18 1HG1 VAL 18 7.046 5.873 -1.083 147 3HG1 VAL 18 2HG1 VAL 18 5.873 4.552 -1.055 148 1HG2 VAL 18 1HG2 VAL 18 9.327 4.027 -1.641 149 2HG2 VAL 18 2HG2 VAL 18 8.807 2.445 -1.060 150 3HG2 VAL 18 3HG2 VAL 18 7.764 3.334 -2.172 151 H GLY 19 H GLY 19 7.686 6.670 1.950 152 1HA GLY 19 1HA GLY 19 8.184 8.799 2.286 153 2HA GLY 19 2HA GLY 19 9.757 8.613 1.486 154 HA PRO 20 HA PRO 20 6.602 10.808 -1.151 155 1HB PRO 20 1HB PRO 20 7.615 13.362 -1.313 156 2HB PRO 20 2HB PRO 20 6.753 12.767 0.139 157 1HG PRO 20 1HG PRO 20 9.757 12.803 -0.352 158 2HG PRO 20 2HG PRO 20 8.868 13.456 1.063 159 1HD PRO 20 1HD PRO 20 9.983 10.964 1.086 160 2HD PRO 20 2HD PRO 20 8.421 11.290 1.898 161 H GLN 21 H GLN 21 9.543 9.780 -1.843 162 HA GLN 21 HA GLN 21 9.305 10.405 -4.733 163 1HB GLN 21 1HB GLN 21 11.803 11.098 -3.140 164 2HB GLN 21 2HB GLN 21 11.767 10.962 -4.896 165 1HG GLN 21 1HG GLN 21 10.091 12.971 -3.330 166 2HG GLN 21 2HG GLN 21 11.666 13.294 -4.034 167 1HE2 GLN 21 2HE2 GLN 21 8.436 13.110 -6.536 168 2HE2 GLN 21 1HE2 GLN 21 8.256 12.547 -4.865 169 HA PRO 22 HA PRO 22 10.804 6.144 -3.844 170 1HB PRO 22 1HB PRO 22 8.627 4.643 -4.016 171 2HB PRO 22 2HB PRO 22 8.775 5.849 -2.685 172 1HG PRO 22 1HG PRO 22 7.305 6.180 -5.307 173 2HG PRO 22 2HG PRO 22 6.696 6.433 -3.630 174 1HD PRO 22 1HD PRO 22 7.769 8.478 -5.190 175 2HD PRO 22 2HD PRO 22 7.778 8.444 -3.400 176 H ASN 23 H ASN 23 10.600 4.082 -5.254 177 HA ASN 23 HA ASN 23 9.873 4.479 -8.074 178 1HB ASN 23 1HB ASN 23 11.913 3.389 -8.838 179 2HB ASN 23 2HB ASN 23 12.328 4.844 -7.930 180 1HD2 ASN 23 2HD2 ASN 23 13.924 1.408 -6.663 181 2HD2 ASN 23 1HD2 ASN 23 13.279 1.587 -8.281 182 H GLU 24 H GLU 24 9.333 2.423 -9.043 183 HA GLU 24 HA GLU 24 7.571 0.886 -7.736 184 1HB GLU 24 1HB GLU 24 7.717 0.969 -10.097 185 2HB GLU 24 2HB GLU 24 9.304 0.209 -10.126 186 1HG GLU 24 1HG GLU 24 8.458 -1.925 -9.809 187 2HG GLU 24 2HG GLU 24 7.095 -1.369 -8.839 188 H ASP 25 H ASP 25 11.064 -0.037 -7.827 189 HA ASP 25 HA ASP 25 10.578 -2.614 -6.619 190 1HB ASP 25 1HB ASP 25 12.717 -2.258 -7.703 191 2HB ASP 25 2HB ASP 25 13.109 -0.937 -6.581 192 H THR 26 H THR 26 11.757 0.518 -5.218 193 HA THR 26 HA THR 26 11.726 -0.248 -2.597 194 HB THR 26 HB THR 26 11.038 2.548 -3.614 195 HG1 THR 26 HG1 THR 26 13.039 2.550 -4.359 196 1HG2 THR 26 2HG2 THR 26 11.025 2.213 -1.093 197 2HG2 THR 26 3HG2 THR 26 12.676 1.588 -1.203 198 3HG2 THR 26 1HG2 THR 26 12.333 3.272 -1.647 199 H VAL 27 H VAL 27 8.925 0.777 -4.560 200 HA VAL 27 HA VAL 27 7.097 0.869 -2.324 201 HB VAL 27 HB VAL 27 6.328 0.073 -5.168 202 1HG1 VAL 27 3HG1 VAL 27 4.567 -0.216 -3.447 203 2HG1 VAL 27 1HG1 VAL 27 4.794 1.474 -2.939 204 3HG1 VAL 27 2HG1 VAL 27 4.151 1.116 -4.524 205 1HG2 VAL 27 1HG2 VAL 27 6.750 2.882 -4.104 206 2HG2 VAL 27 2HG2 VAL 27 7.494 2.123 -5.510 207 3HG2 VAL 27 3HG2 VAL 27 5.784 2.501 -5.551 208 H THR 28 H THR 28 8.096 -1.736 -4.557 209 HA THR 28 HA THR 28 6.319 -3.737 -3.592 210 HB THR 28 HB THR 28 8.952 -3.918 -5.132 211 HG1 THR 28 HG1 THR 28 7.592 -2.758 -6.326 212 1HG2 THR 28 3HG2 THR 28 6.688 -5.921 -4.793 213 2HG2 THR 28 1HG2 THR 28 8.003 -6.041 -5.993 214 3HG2 THR 28 2HG2 THR 28 8.380 -6.113 -4.268 215 H GLN 29 H GLN 29 9.843 -3.134 -2.846 216 HA GLN 29 HA GLN 29 9.857 -5.253 -0.896 217 1HB GLN 29 1HB GLN 29 11.986 -4.277 -0.107 218 2HB GLN 29 2HB GLN 29 11.951 -4.734 -1.808 219 1HG GLN 29 1HG GLN 29 11.993 -2.534 -2.561 220 2HG GLN 29 2HG GLN 29 11.486 -1.863 -0.998 221 1HE2 GLN 29 2HE2 GLN 29 15.412 -2.202 -1.777 222 2HE2 GLN 29 1HE2 GLN 29 14.188 -2.420 -3.018 223 H ALA 30 H ALA 30 9.293 -1.662 -0.610 224 HA ALA 30 HA ALA 30 9.097 -1.613 2.195 225 1HB ALA 30 1HB ALA 30 7.533 0.045 0.174 226 2HB ALA 30 2HB ALA 30 7.667 0.382 1.911 227 3HB ALA 30 3HB ALA 30 9.111 0.459 0.893 228 H ALA 31 H ALA 31 6.623 -2.489 -0.274 229 HA ALA 31 HA ALA 31 4.501 -2.919 1.521 230 1HB ALA 31 3HB ALA 31 4.215 -2.893 -0.976 231 2HB ALA 31 1HB ALA 31 5.038 -4.455 -1.083 232 3HB ALA 31 2HB ALA 31 3.496 -4.332 -0.234 233 H SER 32 H SER 32 7.076 -5.268 0.457 234 HA SER 32 HA SER 32 5.944 -7.506 1.820 235 1HB SER 32 1HB SER 32 8.080 -8.541 1.622 236 2HB SER 32 2HB SER 32 7.965 -7.474 0.213 237 HG SER 32 HG SER 32 9.278 -5.950 1.390 238 H GLN 33 H GLN 33 7.810 -4.838 3.080 239 HA GLN 33 HA GLN 33 7.718 -5.771 5.834 240 1HB GLN 33 1HB GLN 33 8.831 -3.381 4.350 241 2HB GLN 33 2HB GLN 33 8.628 -3.268 6.082 242 1HG GLN 33 1HG GLN 33 10.165 -5.539 4.716 243 2HG GLN 33 2HG GLN 33 10.918 -4.041 5.301 244 1HE2 GLN 33 2HE2 GLN 33 10.267 -6.902 8.022 245 2HE2 GLN 33 1HE2 GLN 33 10.453 -7.170 6.297 246 H VAL 34 H VAL 34 5.803 -3.467 3.852 247 HA VAL 34 HA VAL 34 4.762 -2.015 5.987 248 HB VAL 34 HB VAL 34 4.468 -1.720 3.427 249 1HG1 VAL 34 2HG1 VAL 34 2.994 -3.761 2.943 250 2HG1 VAL 34 3HG1 VAL 34 1.744 -2.918 3.848 251 3HG1 VAL 34 1HG1 VAL 34 2.388 -2.209 2.379 252 1HG2 VAL 34 3HG2 VAL 34 3.802 -0.133 5.003 253 2HG2 VAL 34 1HG2 VAL 34 2.613 -0.282 3.694 254 3HG2 VAL 34 2HG2 VAL 34 2.243 -0.995 5.282 255 H CYS 35 H CYS 35 3.750 -5.010 4.487 256 HA CYS 35 HA CYS 35 1.516 -5.572 6.176 257 1HB CYS 35 1HB CYS 35 3.313 -7.564 4.784 258 2HB CYS 35 2HB CYS 35 1.641 -7.786 5.297 259 H ASP 36 H ASP 36 4.996 -6.911 6.267 260 HA ASP 36 HA ASP 36 4.358 -8.362 8.629 261 1HB ASP 36 1HB ASP 36 6.431 -8.864 7.409 262 2HB ASP 36 2HB ASP 36 7.144 -7.365 8.075 263 H LYS 37 H LYS 37 5.465 -5.024 8.313 264 HA LYS 37 HA LYS 37 5.935 -4.678 11.110 265 1HB LYS 37 1HB LYS 37 6.958 -3.436 9.183 266 2HB LYS 37 2HB LYS 37 5.414 -2.609 8.918 267 1HG LYS 37 1HG LYS 37 5.596 -1.549 11.112 268 2HG LYS 37 2HG LYS 37 7.083 -2.440 11.470 269 1HD LYS 37 1HD LYS 37 6.835 -0.572 9.059 270 2HD LYS 37 2HD LYS 37 7.260 -0.006 10.661 271 1HE LYS 37 1HE LYS 37 9.339 -0.213 9.792 272 2HE LYS 37 2HE LYS 37 9.168 -1.755 10.622 273 1HZ LYS 37 1HZ LYS 37 8.840 -1.341 7.723 274 2HZ LYS 37 2HZ LYS 37 10.171 -1.939 8.447 275 3HZ LYS 37 3HZ LYS 37 8.835 -2.828 8.493 276 H LEU 38 H LEU 38 3.100 -3.934 8.955 277 HA LEU 38 HA LEU 38 1.499 -3.113 11.309 278 1HB LEU 38 1HB LEU 38 0.754 -3.652 8.398 279 2HB LEU 38 2HB LEU 38 -0.385 -3.164 9.642 280 HG LEU 38 HG LEU 38 1.987 -1.456 8.771 281 1HD1 LEU 38 3HD1 LEU 38 -0.957 -1.399 7.967 282 2HD1 LEU 38 1HD1 LEU 38 0.224 -0.134 7.585 283 3HD1 LEU 38 2HD1 LEU 38 0.440 -1.762 6.929 284 1HD2 LEU 38 2HD2 LEU 38 -0.460 -0.829 10.491 285 2HD2 LEU 38 3HD2 LEU 38 1.228 -0.895 11.042 286 3HD2 LEU 38 1HD2 LEU 38 0.726 0.364 9.911 287 H LYS 39 H LYS 39 2.105 -5.116 12.455 288 HA LYS 39 HA LYS 39 1.278 -7.587 11.217 289 1HB LYS 39 1HB LYS 39 2.005 -8.709 13.334 290 2HB LYS 39 2HB LYS 39 3.179 -7.886 12.353 291 1HG LYS 39 1HG LYS 39 2.914 -5.894 14.044 292 2HG LYS 39 2HG LYS 39 2.121 -7.097 15.063 293 1HD LYS 39 1HD LYS 39 4.389 -7.001 15.720 294 2HD LYS 39 2HD LYS 39 4.236 -8.523 14.866 295 1HE LYS 39 1HE LYS 39 5.238 -6.023 13.426 296 2HE LYS 39 2HE LYS 39 6.309 -6.887 14.529 297 1HZ LYS 39 2HZ LYS 39 5.944 -8.901 13.114 298 2HZ LYS 39 3HZ LYS 39 5.160 -7.917 12.024 299 3HZ LYS 39 1HZ LYS 39 6.688 -7.704 12.307 300 H ILE 40 H ILE 40 -0.186 -9.154 12.312 301 HA ILE 40 HA ILE 40 -2.280 -9.807 12.871 302 HB ILE 40 HB ILE 40 -2.902 -6.970 13.832 303 1HG1 ILE 40 1HG1 ILE 40 -2.318 -9.506 15.437 304 2HG1 ILE 40 2HG1 ILE 40 -1.139 -8.223 15.161 305 1HG2 ILE 40 3HG2 ILE 40 -4.913 -8.162 13.051 306 2HG2 ILE 40 1HG2 ILE 40 -4.521 -9.529 14.113 307 3HG2 ILE 40 2HG2 ILE 40 -4.927 -7.936 14.786 308 1HD1 ILE 40 3HD1 ILE 40 -2.651 -6.592 16.295 309 2HD1 ILE 40 1HD1 ILE 40 -3.732 -7.944 16.717 310 3HD1 ILE 40 2HD1 ILE 40 -2.077 -7.907 17.340 311 H LEU 41 H LEU 41 -2.191 -6.491 11.459 312 HA LEU 41 HA LEU 41 -4.173 -7.105 9.410 313 1HB LEU 41 1HB LEU 41 -3.851 -4.939 10.595 314 2HB LEU 41 2HB LEU 41 -2.226 -4.808 9.936 315 HG LEU 41 HG LEU 41 -3.119 -4.461 7.686 316 1HD1 LEU 41 2HD1 LEU 41 -5.226 -5.798 7.875 317 2HD1 LEU 41 3HD1 LEU 41 -5.884 -4.592 8.995 318 3HD1 LEU 41 1HD1 LEU 41 -5.526 -4.151 7.311 319 1HD2 LEU 41 3HD2 LEU 41 -4.408 -2.694 9.812 320 2HD2 LEU 41 1HD2 LEU 41 -2.770 -2.522 9.146 321 3HD2 LEU 41 2HD2 LEU 41 -4.183 -2.255 8.110 322 H ARG 42 H ARG 42 -1.101 -8.078 9.742 323 HA ARG 42 HA ARG 42 0.258 -7.837 7.343 324 1HB ARG 42 1HB ARG 42 1.133 -8.787 9.447 325 2HB ARG 42 2HB ARG 42 0.150 -10.238 9.246 326 1HG ARG 42 1HG ARG 42 1.482 -10.914 7.302 327 2HG ARG 42 2HG ARG 42 2.297 -9.350 7.286 328 1HD ARG 42 1HD ARG 42 3.878 -10.767 8.255 329 2HD ARG 42 2HD ARG 42 3.194 -9.903 9.630 330 HE ARG 42 HE ARG 42 1.724 -12.276 9.380 331 1HH1 ARG 42 2HH2 ARG 42 5.152 -11.377 10.048 332 2HH1 ARG 42 1HH2 ARG 42 5.515 -12.852 10.825 333 1HH2 ARG 42 2HH1 ARG 42 2.251 -14.261 10.522 334 2HH2 ARG 42 1HH1 ARG 42 3.837 -14.477 11.139 335 H GLY 43 H GLY 43 -2.332 -10.108 8.207 336 1HA GLY 43 1HA GLY 43 -2.175 -11.863 5.974 337 2HA GLY 43 2HA GLY 43 -3.594 -11.596 6.999 338 H LEU 44 H LEU 44 -4.483 -9.140 6.583 339 HA LEU 44 HA LEU 44 -5.712 -9.320 4.044 340 1HB LEU 44 1HB LEU 44 -6.785 -8.179 5.916 341 2HB LEU 44 2HB LEU 44 -5.491 -6.975 5.962 342 HG LEU 44 HG LEU 44 -6.152 -6.087 3.785 343 1HD1 LEU 44 2HD1 LEU 44 -8.422 -8.131 3.820 344 2HD1 LEU 44 3HD1 LEU 44 -8.217 -6.799 2.658 345 3HD1 LEU 44 1HD1 LEU 44 -7.053 -8.116 2.677 346 1HD2 LEU 44 1HD2 LEU 44 -7.249 -5.223 5.832 347 2HD2 LEU 44 2HD2 LEU 44 -8.302 -5.104 4.413 348 3HD2 LEU 44 3HD2 LEU 44 -8.572 -6.383 5.616 349 H CYS 45 H CYS 45 -3.004 -7.188 5.180 350 HA CYS 45 HA CYS 45 -2.455 -5.861 2.866 351 1HB CYS 45 1HB CYS 45 -1.447 -5.520 5.057 352 2HB CYS 45 2HB CYS 45 -0.535 -7.015 4.906 353 H LYS 46 H LYS 46 -0.965 -9.134 3.606 354 HA LYS 46 HA LYS 46 0.169 -9.252 0.971 355 1HB LYS 46 1HB LYS 46 -0.409 -11.469 2.943 356 2HB LYS 46 2HB LYS 46 0.053 -11.816 1.284 357 1HG LYS 46 1HG LYS 46 2.067 -11.924 2.366 358 2HG LYS 46 2HG LYS 46 2.092 -10.326 1.619 359 1HD LYS 46 1HD LYS 46 1.498 -9.356 3.836 360 2HD LYS 46 2HD LYS 46 1.531 -10.962 4.537 361 1HE LYS 46 1HE LYS 46 3.625 -9.864 5.063 362 2HE LYS 46 2HE LYS 46 3.931 -11.219 3.982 363 1HZ LYS 46 2HZ LYS 46 3.765 -8.420 3.018 364 2HZ LYS 46 3HZ LYS 46 5.161 -9.108 3.503 365 3HZ LYS 46 1HZ LYS 46 4.351 -9.731 2.213 366 H LYS 47 H LYS 47 -3.167 -10.198 2.007 367 HA LYS 47 HA LYS 47 -3.639 -11.359 -0.588 368 1HB LYS 47 1HB LYS 47 -5.095 -11.718 1.494 369 2HB LYS 47 2HB LYS 47 -5.879 -10.172 1.093 370 1HG LYS 47 1HG LYS 47 -6.474 -11.056 -1.158 371 2HG LYS 47 2HG LYS 47 -5.529 -12.506 -0.847 372 1HD LYS 47 1HD LYS 47 -7.634 -13.289 -0.597 373 2HD LYS 47 2HD LYS 47 -7.192 -12.988 1.086 374 1HE LYS 47 1HE LYS 47 -8.529 -10.946 1.121 375 2HE LYS 47 2HE LYS 47 -8.722 -10.985 -0.640 376 1HZ LYS 47 2HZ LYS 47 -9.877 -12.984 1.215 377 2HZ LYS 47 3HZ LYS 47 -10.705 -11.779 0.464 378 3HZ LYS 47 1HZ LYS 47 -10.041 -12.983 -0.420 379 H ILE 48 H ILE 48 -4.043 -8.004 0.628 380 HA ILE 48 HA ILE 48 -5.172 -6.936 -1.759 381 HB ILE 48 HB ILE 48 -3.558 -5.712 0.502 382 1HG1 ILE 48 1HG1 ILE 48 -6.468 -5.431 -0.404 383 2HG1 ILE 48 2HG1 ILE 48 -5.915 -6.485 0.892 384 1HG2 ILE 48 3HG2 ILE 48 -3.031 -4.366 -1.521 385 2HG2 ILE 48 1HG2 ILE 48 -4.766 -4.189 -1.853 386 3HG2 ILE 48 2HG2 ILE 48 -4.034 -3.467 -0.405 387 1HD1 ILE 48 1HD1 ILE 48 -5.085 -4.458 2.130 388 2HD1 ILE 48 2HD1 ILE 48 -5.871 -3.445 0.894 389 3HD1 ILE 48 3HD1 ILE 48 -6.844 -4.525 1.896 390 H MET 49 H MET 49 -1.691 -7.355 -0.808 391 HA MET 49 HA MET 49 -0.683 -6.303 -3.268 392 1HB MET 49 1HB MET 49 0.603 -8.420 -1.500 393 2HB MET 49 2HB MET 49 1.397 -7.468 -2.758 394 1HG MET 49 1HG MET 49 0.235 -6.466 -0.147 395 2HG MET 49 2HG MET 49 1.923 -6.489 -0.618 396 1HE MET 49 1HE MET 49 1.375 -3.969 0.640 397 2HE MET 49 2HE MET 49 0.458 -2.700 -0.199 398 3HE MET 49 3HE MET 49 -0.390 -4.112 0.464 399 H ARG 50 H ARG 50 -1.475 -9.767 -2.462 400 HA ARG 50 HA ARG 50 -0.760 -10.823 -4.988 401 1HB ARG 50 1HB ARG 50 -1.431 -12.162 -3.021 402 2HB ARG 50 2HB ARG 50 -3.074 -11.601 -3.157 403 1HG ARG 50 1HG ARG 50 -2.824 -13.886 -3.944 404 2HG ARG 50 2HG ARG 50 -3.465 -12.838 -5.190 405 1HD ARG 50 1HD ARG 50 -0.494 -13.485 -5.130 406 2HD ARG 50 2HD ARG 50 -1.668 -14.664 -5.739 407 HE ARG 50 HE ARG 50 -1.898 -11.968 -6.853 408 1HH1 ARG 50 2HH2 ARG 50 -0.530 -15.202 -7.448 409 2HH1 ARG 50 1HH2 ARG 50 -0.521 -15.018 -9.160 410 1HH2 ARG 50 2HH1 ARG 50 -1.902 -11.726 -9.051 411 2HH2 ARG 50 1HH1 ARG 50 -1.318 -12.957 -10.111 412 H SER 51 H SER 51 -3.784 -9.354 -3.955 413 HA SER 51 HA SER 51 -5.170 -9.739 -6.437 414 1HB SER 51 1HB SER 51 -6.066 -9.391 -4.051 415 2HB SER 51 2HB SER 51 -5.796 -7.662 -4.300 416 HG SER 51 HG SER 51 -7.276 -7.775 -6.033 417 H PHE 52 H PHE 52 -3.302 -6.891 -5.165 418 HA PHE 52 HA PHE 52 -3.624 -5.608 -7.848 419 1HB PHE 52 1HB PHE 52 -3.986 -4.302 -5.121 420 2HB PHE 52 2HB PHE 52 -4.267 -3.542 -6.665 421 HD1 PHE 52 HD2 PHE 52 -6.059 -4.909 -8.236 422 HD2 PHE 52 HD1 PHE 52 -5.914 -4.833 -3.924 423 HE1 PHE 52 HE2 PHE 52 -8.492 -5.373 -8.139 424 HE2 PHE 52 HE1 PHE 52 -8.356 -5.301 -3.846 425 HZ PHE 52 HZ PHE 52 -9.643 -5.550 -5.949 426 H LEU 53 H LEU 53 -1.048 -6.827 -6.650 427 HA LEU 53 HA LEU 53 0.491 -4.905 -5.497 428 1HB LEU 53 1HB LEU 53 1.241 -7.210 -5.717 429 2HB LEU 53 2HB LEU 53 1.524 -6.993 -7.443 430 HG LEU 53 HG LEU 53 3.364 -5.460 -6.989 431 1HD1 LEU 53 2HD1 LEU 53 2.649 -5.731 -4.021 432 2HD1 LEU 53 3HD1 LEU 53 4.143 -5.007 -4.658 433 3HD1 LEU 53 1HD1 LEU 53 2.603 -4.239 -4.989 434 1HD2 LEU 53 2HD2 LEU 53 3.748 -7.918 -6.878 435 2HD2 LEU 53 3HD2 LEU 53 4.860 -7.023 -5.836 436 3HD2 LEU 53 1HD2 LEU 53 3.475 -7.876 -5.120 437 H ARG 54 H ARG 54 0.631 -5.400 -9.107 438 HA ARG 54 HA ARG 54 2.323 -3.149 -9.492 439 1HB ARG 54 1HB ARG 54 1.628 -5.041 -11.186 440 2HB ARG 54 2HB ARG 54 0.264 -3.988 -11.553 441 1HG ARG 54 1HG ARG 54 1.818 -3.351 -13.180 442 2HG ARG 54 2HG ARG 54 2.118 -2.129 -11.936 443 1HD ARG 54 1HD ARG 54 3.945 -3.673 -11.031 444 2HD ARG 54 2HD ARG 54 3.713 -4.697 -12.448 445 HE ARG 54 HE ARG 54 5.048 -2.127 -12.182 446 1HH1 ARG 54 2HH2 ARG 54 3.706 -4.304 -14.651 447 2HH1 ARG 54 1HH2 ARG 54 4.870 -3.848 -15.855 448 1HH2 ARG 54 2HH1 ARG 54 6.598 -1.692 -13.635 449 2HH2 ARG 54 1HH1 ARG 54 6.572 -2.203 -15.293 450 H ARG 55 H ARG 55 -1.184 -3.209 -8.812 451 HA ARG 55 HA ARG 55 -1.604 -0.494 -9.712 452 1HB ARG 55 1HB ARG 55 -3.150 -2.509 -8.121 453 2HB ARG 55 2HB ARG 55 -3.607 -0.859 -7.968 454 1HG ARG 55 1HG ARG 55 -3.542 -2.206 -10.700 455 2HG ARG 55 2HG ARG 55 -4.859 -2.511 -9.553 456 1HD ARG 55 1HD ARG 55 -5.164 -0.051 -9.364 457 2HD ARG 55 2HD ARG 55 -4.130 0.166 -10.800 458 HE ARG 55 HE ARG 55 -6.117 -1.528 -11.631 459 1HH1 ARG 55 2HH2 ARG 55 -6.092 1.755 -10.218 460 2HH1 ARG 55 1HH2 ARG 55 -7.768 2.030 -10.286 461 1HH2 ARG 55 2HH1 ARG 55 -8.387 -1.015 -12.146 462 2HH2 ARG 55 1HH1 ARG 55 -9.011 0.519 -11.655 463 H ILE 56 H ILE 56 -0.814 -2.138 -6.519 464 HA ILE 56 HA ILE 56 -0.874 0.303 -5.049 465 HB ILE 56 HB ILE 56 0.806 -2.154 -4.457 466 1HG1 ILE 56 1HG1 ILE 56 -1.293 -3.094 -4.382 467 2HG1 ILE 56 2HG1 ILE 56 -1.168 -2.504 -2.754 468 1HG2 ILE 56 1HG2 ILE 56 -0.131 0.117 -2.655 469 2HG2 ILE 56 2HG2 ILE 56 0.693 -1.365 -2.109 470 3HG2 ILE 56 3HG2 ILE 56 1.539 -0.225 -3.141 471 1HD1 ILE 56 1HD1 ILE 56 -2.512 -0.449 -3.489 472 2HD1 ILE 56 2HD1 ILE 56 -2.810 -1.302 -5.017 473 3HD1 ILE 56 3HD1 ILE 56 -3.375 -2.007 -3.507 474 H SER 57 H SER 57 1.629 -1.026 -7.196 475 HA SER 57 HA SER 57 3.663 0.848 -6.469 476 1HB SER 57 1HB SER 57 4.070 -1.240 -7.730 477 2HB SER 57 2HB SER 57 3.162 -0.585 -9.104 478 HG SER 57 HG SER 57 5.217 -0.230 -9.511 479 H TRP 58 H TRP 58 1.435 0.916 -9.341 480 HA TRP 58 HA TRP 58 1.871 3.545 -10.146 481 1HB TRP 58 1HB TRP 58 0.453 2.572 -11.618 482 2HB TRP 58 2HB TRP 58 -0.336 1.595 -10.398 483 HD1 TRP 58 HD1 TRP 58 -0.467 5.293 -11.557 484 HE1 TRP 58 HE1 TRP 58 -2.834 6.181 -11.259 485 HE3 TRP 58 HE3 TRP 58 -2.485 1.301 -9.175 486 HZ2 TRP 58 HZ2 TRP 58 -5.369 5.197 -10.084 487 HZ3 TRP 58 HZ3 TRP 58 -4.659 1.446 -8.133 488 HH2 TRP 58 HH2 TRP 58 -6.140 3.251 -8.573 489 H ASP 59 H ASP 59 -0.367 2.469 -7.606 490 HA ASP 59 HA ASP 59 -1.600 4.897 -7.035 491 1HB ASP 59 1HB ASP 59 -0.947 2.487 -5.256 492 2HB ASP 59 2HB ASP 59 -1.716 3.879 -4.590 493 HD2 ASP 59 HD2 ASP 59 -4.259 1.525 -6.028 494 H ILE 60 H ILE 60 1.322 3.558 -5.412 495 HA ILE 60 HA ILE 60 1.843 5.931 -3.874 496 HB ILE 60 HB ILE 60 3.263 3.356 -4.460 497 1HG1 ILE 60 1HG1 ILE 60 3.263 3.083 -2.064 498 2HG1 ILE 60 2HG1 ILE 60 2.734 4.737 -1.798 499 1HG2 ILE 60 2HG2 ILE 60 4.576 5.731 -3.101 500 2HG2 ILE 60 3HG2 ILE 60 5.172 4.056 -3.063 501 3HG2 ILE 60 1HG2 ILE 60 5.106 4.915 -4.596 502 1HD1 ILE 60 3HD1 ILE 60 1.027 2.555 -3.035 503 2HD1 ILE 60 1HD1 ILE 60 1.002 3.077 -1.345 504 3HD1 ILE 60 2HD1 ILE 60 0.505 4.210 -2.616 505 H LEU 61 H LEU 61 3.175 4.724 -7.008 506 HA LEU 61 HA LEU 61 5.073 6.788 -7.315 507 1HB LEU 61 1HB LEU 61 3.555 5.163 -9.386 508 2HB LEU 61 2HB LEU 61 4.889 6.236 -9.793 509 HG LEU 61 HG LEU 61 5.209 3.929 -7.829 510 1HD1 LEU 61 3HD1 LEU 61 4.502 3.054 -10.026 511 2HD1 LEU 61 1HD1 LEU 61 5.801 3.976 -10.821 512 3HD1 LEU 61 2HD1 LEU 61 6.184 2.661 -9.686 513 1HD2 LEU 61 1HD2 LEU 61 6.968 5.678 -7.686 514 2HD2 LEU 61 2HD2 LEU 61 7.584 4.151 -8.312 515 3HD2 LEU 61 3HD2 LEU 61 7.275 5.504 -9.422 516 H THR 62 H THR 62 1.613 6.826 -8.127 517 HA THR 62 HA THR 62 1.822 9.506 -9.336 518 HB THR 62 HB THR 62 -0.704 9.317 -9.416 519 HG1 THR 62 HG1 THR 62 -0.167 6.624 -8.677 520 1HG2 THR 62 3HG2 THR 62 0.741 8.787 -11.330 521 2HG2 THR 62 1HG2 THR 62 0.896 7.110 -10.774 522 3HG2 THR 62 2HG2 THR 62 -0.689 7.749 -11.286 523 H GLY 63 H GLY 63 2.381 8.716 -6.325 524 1HA GLY 63 1HA GLY 63 1.976 9.392 -4.216 525 2HA GLY 63 2HA GLY 63 2.061 11.007 -4.947 526 H LYS 64 H LYS 64 -0.418 8.386 -5.204 527 HA LYS 64 HA LYS 64 -2.453 10.475 -4.929 528 1HB LYS 64 1HB LYS 64 -2.452 8.734 -6.673 529 2HB LYS 64 2HB LYS 64 -2.668 7.467 -5.467 530 1HG LYS 64 1HG LYS 64 -4.926 8.043 -5.108 531 2HG LYS 64 2HG LYS 64 -4.677 9.726 -5.590 532 1HD LYS 64 1HD LYS 64 -5.993 8.509 -7.303 533 2HD LYS 64 2HD LYS 64 -4.471 9.141 -7.919 534 1HE LYS 64 1HE LYS 64 -4.564 7.012 -8.865 535 2HE LYS 64 2HE LYS 64 -3.461 6.811 -7.508 536 1HZ LYS 64 2HZ LYS 64 -5.618 6.061 -6.305 537 2HZ LYS 64 3HZ LYS 64 -6.222 5.859 -7.835 538 3HZ LYS 64 1HZ LYS 64 -4.893 5.030 -7.366 539 H LYS 65 H LYS 65 -3.936 10.532 -3.224 540 HA LYS 65 HA LYS 65 -2.677 9.705 -0.732 541 1HB LYS 65 1HB LYS 65 -5.317 11.133 -1.274 542 2HB LYS 65 2HB LYS 65 -4.686 10.866 0.338 543 1HG LYS 65 1HG LYS 65 -3.460 12.590 -1.851 544 2HG LYS 65 2HG LYS 65 -4.109 13.082 -0.297 545 1HD LYS 65 1HD LYS 65 -1.886 13.219 0.208 546 2HD LYS 65 2HD LYS 65 -2.152 11.537 0.675 547 1HE LYS 65 1HE LYS 65 -1.402 10.949 -1.753 548 2HE LYS 65 2HE LYS 65 -0.905 12.626 -1.905 549 1HZ LYS 65 2HZ LYS 65 0.616 12.217 -0.026 550 2HZ LYS 65 3HZ LYS 65 0.115 10.653 0.066 551 3HZ LYS 65 1HZ LYS 65 0.892 11.174 -1.271 552 HA PRO 66 HA PRO 66 -4.205 5.841 0.119 553 1HB PRO 66 1HB PRO 66 -4.941 5.867 2.795 554 2HB PRO 66 2HB PRO 66 -3.260 5.840 2.198 555 1HG PRO 66 1HG PRO 66 -4.896 8.273 2.984 556 2HG PRO 66 2HG PRO 66 -3.224 7.858 3.478 557 1HD PRO 66 1HD PRO 66 -3.547 9.552 1.497 558 2HD PRO 66 2HD PRO 66 -2.387 8.209 1.260 559 H GLN 67 H GLN 67 -6.572 8.153 1.579 560 HA GLN 67 HA GLN 67 -8.794 6.387 1.512 561 1HB GLN 67 1HB GLN 67 -8.922 8.349 2.806 562 2HB GLN 67 2HB GLN 67 -8.501 9.411 1.476 563 1HG GLN 67 1HG GLN 67 -11.075 7.776 1.466 564 2HG GLN 67 2HG GLN 67 -10.956 9.325 2.304 565 1HE2 GLN 67 2HE2 GLN 67 -12.289 10.100 -1.070 566 2HE2 GLN 67 1HE2 GLN 67 -12.869 9.129 0.268 567 H ALA 68 H ALA 68 -7.434 8.559 -1.012 568 HA ALA 68 HA ALA 68 -9.583 7.992 -2.833 569 1HB ALA 68 3HB ALA 68 -8.265 10.083 -2.925 570 2HB ALA 68 1HB ALA 68 -6.801 9.157 -3.351 571 3HB ALA 68 2HB ALA 68 -8.185 9.206 -4.464 572 H ILE 69 H ILE 69 -6.318 6.592 -2.279 573 HA ILE 69 HA ILE 69 -6.316 4.901 -4.588 574 HB ILE 69 HB ILE 69 -5.042 4.666 -1.814 575 1HG1 ILE 69 1HG1 ILE 69 -3.722 5.136 -4.509 576 2HG1 ILE 69 2HG1 ILE 69 -4.271 6.436 -3.518 577 1HG2 ILE 69 1HG2 ILE 69 -4.935 2.701 -4.106 578 2HG2 ILE 69 2HG2 ILE 69 -3.617 2.786 -2.923 579 3HG2 ILE 69 3HG2 ILE 69 -5.246 2.389 -2.397 580 1HD1 ILE 69 3HD1 ILE 69 -2.281 4.396 -2.450 581 2HD1 ILE 69 1HD1 ILE 69 -1.820 5.860 -3.315 582 3HD1 ILE 69 2HD1 ILE 69 -2.724 5.986 -1.796 583 H CYS 70 H CYS 70 -7.521 4.237 -1.258 584 HA CYS 70 HA CYS 70 -8.449 1.604 -1.877 585 1HB CYS 70 1HB CYS 70 -9.403 3.589 0.222 586 2HB CYS 70 2HB CYS 70 -9.719 1.848 0.230 587 H VAL 71 H VAL 71 -10.175 4.809 -2.129 588 HA VAL 71 HA VAL 71 -12.653 3.558 -2.810 589 HB VAL 71 HB VAL 71 -11.586 6.362 -3.255 590 1HG1 VAL 71 3HG1 VAL 71 -13.465 5.971 -4.830 591 2HG1 VAL 71 1HG1 VAL 71 -14.479 5.428 -3.475 592 3HG1 VAL 71 2HG1 VAL 71 -13.917 7.103 -3.554 593 1HG2 VAL 71 3HG2 VAL 71 -11.970 5.528 -0.820 594 2HG2 VAL 71 1HG2 VAL 71 -12.776 7.022 -1.309 595 3HG2 VAL 71 2HG2 VAL 71 -13.689 5.518 -1.218 596 H ASP 72 H ASP 72 -9.874 4.668 -4.785 597 HA ASP 72 HA ASP 72 -11.009 4.451 -7.358 598 1HB ASP 72 1HB ASP 72 -8.909 5.594 -6.783 599 2HB ASP 72 2HB ASP 72 -8.156 4.077 -6.361 600 H ILE 73 H ILE 73 -8.862 2.112 -5.663 601 HA ILE 73 HA ILE 73 -9.422 0.107 -7.697 602 HB ILE 73 HB ILE 73 -7.799 -1.259 -6.635 603 1HG1 ILE 73 1HG1 ILE 73 -8.129 0.606 -4.251 604 2HG1 ILE 73 2HG1 ILE 73 -8.304 -1.136 -4.332 605 1HG2 ILE 73 3HG2 ILE 73 -7.143 0.702 -8.007 606 2HG2 ILE 73 1HG2 ILE 73 -6.777 1.581 -6.512 607 3HG2 ILE 73 2HG2 ILE 73 -5.900 0.073 -6.922 608 1HD1 ILE 73 2HD1 ILE 73 -5.872 -1.341 -4.806 609 2HD1 ILE 73 3HD1 ILE 73 -5.718 0.423 -4.566 610 3HD1 ILE 73 1HD1 ILE 73 -6.245 -0.602 -3.219 611 H LYS 74 H LYS 74 -11.195 1.101 -5.235 612 HA LYS 74 HA LYS 74 -12.969 0.838 -4.362 613 1HB LYS 74 1HB LYS 74 -13.285 0.218 -6.775 614 2HB LYS 74 2HB LYS 74 -13.319 -1.466 -6.286 615 1HG LYS 74 1HG LYS 74 -15.136 -1.278 -5.066 616 2HG LYS 74 2HG LYS 74 -15.101 0.434 -4.781 617 1HD LYS 74 1HD LYS 74 -15.506 -0.580 -7.613 618 2HD LYS 74 2HD LYS 74 -16.862 -0.350 -6.518 619 1HE LYS 74 1HE LYS 74 -16.435 1.589 -8.064 620 2HE LYS 74 2HE LYS 74 -16.567 1.979 -6.357 621 1HZ LYS 74 3HZ LYS 74 -13.963 1.801 -7.775 622 2HZ LYS 74 1HZ LYS 74 -14.774 3.190 -7.448 623 3HZ LYS 74 2HZ LYS 74 -14.190 2.290 -6.237 624 H ILE 75 H ILE 75 -12.224 0.491 -2.447 625 HA ILE 75 HA ILE 75 -12.576 -2.146 -1.128 626 HB ILE 75 HB ILE 75 -10.143 -0.330 -1.059 627 1HG1 ILE 75 1HG1 ILE 75 -10.536 -3.180 -2.109 628 2HG1 ILE 75 2HG1 ILE 75 -10.096 -1.749 -3.036 629 1HG2 ILE 75 1HG2 ILE 75 -10.617 -2.854 0.570 630 2HG2 ILE 75 2HG2 ILE 75 -9.065 -1.999 0.476 631 3HG2 ILE 75 3HG2 ILE 75 -10.418 -1.183 1.193 632 1HD1 ILE 75 2HD1 ILE 75 -7.930 -1.666 -1.707 633 2HD1 ILE 75 3HD1 ILE 75 -8.341 -3.307 -1.134 634 3HD1 ILE 75 1HD1 ILE 75 -8.126 -3.007 -2.861 635 H CYS 76 H CYS 76 -12.972 1.336 -1.020 636 HA CYS 76 HA CYS 76 -12.840 1.384 1.926 637 1HB CYS 76 1HB CYS 76 -11.800 3.208 0.737 638 2HB CYS 76 2HB CYS 76 -13.310 3.608 -0.033 639 H LYS 77 H LYS 77 -15.346 3.161 0.099 640 HA LYS 77 HA LYS 77 -17.419 1.525 0.993 641 1HB LYS 77 1HB LYS 77 -17.343 2.521 3.161 642 2HB LYS 77 2HB LYS 77 -17.182 4.143 2.501 643 1HG LYS 77 1HG LYS 77 -19.430 3.534 3.532 644 2HG LYS 77 2HG LYS 77 -19.454 4.335 2.001 645 1HD LYS 77 1HD LYS 77 -19.610 1.604 1.254 646 2HD LYS 77 2HD LYS 77 -20.481 1.686 2.774 647 1HE LYS 77 1HE LYS 77 -22.135 2.060 1.156 648 2HE LYS 77 2HE LYS 77 -21.768 3.688 1.748 649 1HZ LYS 77 2HZ LYS 77 -20.290 3.889 -0.269 650 2HZ LYS 77 3HZ LYS 77 -20.794 2.455 -0.789 651 3HZ LYS 77 1HZ LYS 77 -21.861 3.652 -0.693 652 H GLU 78 H GLU 78 -16.911 1.677 -1.256 653 HA GLU 78 HA GLU 78 -18.211 3.825 -2.732 654 1HB GLU 78 1HB GLU 78 -17.111 1.080 -3.519 655 2HB GLU 78 2HB GLU 78 -17.784 2.273 -4.644 656 1HG GLU 78 1HG GLU 78 -15.405 2.620 -4.683 657 2HG GLU 78 2HG GLU 78 -16.109 3.955 -3.818 No H/Q in entry = 657 Start of MODEL 9 1 1H GLY 1 2H GLY 1 -17.152 -0.303 4.330 2 2H GLY 1 3H GLY 1 -18.331 -1.311 3.923 3 3H GLY 1 1H GLY 1 -17.951 -1.116 5.531 4 1HA GLY 1 1HA GLY 1 -17.072 -3.218 4.741 5 2HA GLY 1 2HA GLY 1 -16.300 -2.329 3.418 6 H TYR 2 H TYR 2 -15.521 -3.840 6.256 7 HA TYR 2 HA TYR 2 -13.815 -2.103 7.672 8 1HB TYR 2 1HB TYR 2 -14.494 -4.266 8.520 9 2HB TYR 2 2HB TYR 2 -13.764 -5.092 7.152 10 HD1 TYR 2 HD2 TYR 2 -12.415 -2.500 9.600 11 HD2 TYR 2 HD1 TYR 2 -12.047 -6.468 7.924 12 HE1 TYR 2 HE2 TYR 2 -10.366 -2.879 10.927 13 HE2 TYR 2 HE1 TYR 2 -10.022 -6.850 9.266 14 HH TYR 2 HH TYR 2 -8.731 -6.023 11.067 15 H PHE 3 H PHE 3 -13.382 -3.573 4.518 16 HA PHE 3 HA PHE 3 -10.639 -3.503 4.200 17 1HB PHE 3 1HB PHE 3 -12.945 -3.049 2.300 18 2HB PHE 3 2HB PHE 3 -11.303 -2.855 1.764 19 HD1 PHE 3 HD2 PHE 3 -9.652 -4.828 2.636 20 HD2 PHE 3 HD1 PHE 3 -13.812 -5.146 1.575 21 HE1 PHE 3 HE2 PHE 3 -9.321 -7.231 2.133 22 HE2 PHE 3 HE1 PHE 3 -13.494 -7.550 1.074 23 HZ PHE 3 HZ PHE 3 -11.260 -8.604 1.356 24 H CYS 4 H CYS 4 -12.861 -0.650 4.091 25 HA CYS 4 HA CYS 4 -11.017 0.991 2.812 26 1HB CYS 4 1HB CYS 4 -13.381 1.810 3.305 27 2HB CYS 4 2HB CYS 4 -13.016 1.780 5.009 28 H GLU 5 H GLU 5 -11.487 0.868 6.400 29 HA GLU 5 HA GLU 5 -9.414 2.733 6.918 30 1HB GLU 5 1HB GLU 5 -11.377 1.972 8.428 31 2HB GLU 5 2HB GLU 5 -10.329 0.641 8.906 32 1HG GLU 5 1HG GLU 5 -9.915 3.624 9.272 33 2HG GLU 5 2HG GLU 5 -10.136 2.420 10.530 34 H SER 6 H SER 6 -9.498 -0.852 7.015 35 HA SER 6 HA SER 6 -6.871 -1.438 7.668 36 1HB SER 6 1HB SER 6 -8.566 -2.783 5.506 37 2HB SER 6 2HB SER 6 -7.188 -3.485 6.361 38 HG SER 6 HG SER 6 -9.791 -2.898 7.329 39 H CYS 7 H CYS 7 -8.146 -0.822 4.340 40 HA CYS 7 HA CYS 7 -5.677 -1.050 2.966 41 1HB CYS 7 1HB CYS 7 -7.857 -1.250 1.940 42 2HB CYS 7 2HB CYS 7 -8.266 0.408 2.325 43 H ARG 8 H ARG 8 -7.449 1.804 4.167 44 HA ARG 8 HA ARG 8 -5.787 3.895 3.303 45 1HB ARG 8 1HB ARG 8 -7.995 4.222 4.216 46 2HB ARG 8 2HB ARG 8 -7.573 3.404 5.701 47 1HG ARG 8 1HG ARG 8 -6.018 5.361 6.235 48 2HG ARG 8 2HG ARG 8 -6.824 6.207 4.886 49 1HD ARG 8 1HD ARG 8 -9.040 5.673 5.960 50 2HD ARG 8 2HD ARG 8 -8.196 4.896 7.302 51 HE ARG 8 HE ARG 8 -8.469 7.736 6.676 52 1HH1 ARG 8 2HH2 ARG 8 -7.232 5.265 9.029 53 2HH1 ARG 8 1HH2 ARG 8 -6.613 6.449 10.098 54 1HH2 ARG 8 2HH1 ARG 8 -7.631 9.267 8.190 55 2HH2 ARG 8 1HH1 ARG 8 -6.886 8.772 9.660 56 H LYS 9 H LYS 9 -5.668 2.055 6.385 57 HA LYS 9 HA LYS 9 -3.289 3.266 7.360 58 1HB LYS 9 1HB LYS 9 -5.107 2.038 8.587 59 2HB LYS 9 2HB LYS 9 -4.470 0.517 7.976 60 1HG LYS 9 1HG LYS 9 -2.447 0.729 9.221 61 2HG LYS 9 2HG LYS 9 -2.734 2.445 9.576 62 1HD LYS 9 1HD LYS 9 -4.631 0.253 10.502 63 2HD LYS 9 2HD LYS 9 -3.236 0.755 11.475 64 1HE LYS 9 1HE LYS 9 -4.076 2.928 11.845 65 2HE LYS 9 2HE LYS 9 -5.160 2.853 10.444 66 1HZ LYS 9 1HZ LYS 9 -5.629 1.214 12.843 67 2HZ LYS 9 2HZ LYS 9 -6.362 2.667 12.500 68 3HZ LYS 9 3HZ LYS 9 -6.580 1.430 11.494 69 H ILE 10 H ILE 10 -3.807 0.322 5.396 70 HA ILE 10 HA ILE 10 -1.108 -0.580 5.417 71 HB ILE 10 HB ILE 10 -3.484 -1.140 3.642 72 1HG1 ILE 10 1HG1 ILE 10 -1.910 -3.000 5.478 73 2HG1 ILE 10 2HG1 ILE 10 -3.169 -1.972 6.119 74 1HG2 ILE 10 2HG2 ILE 10 -0.703 -2.352 3.435 75 2HG2 ILE 10 3HG2 ILE 10 -2.150 -3.077 2.705 76 3HG2 ILE 10 1HG2 ILE 10 -1.594 -1.499 2.157 77 1HD1 ILE 10 3HD1 ILE 10 -3.632 -4.047 3.942 78 2HD1 ILE 10 1HD1 ILE 10 -4.021 -4.228 5.648 79 3HD1 ILE 10 2HD1 ILE 10 -4.860 -3.015 4.670 80 H ILE 11 H ILE 11 -2.820 1.548 3.009 81 HA ILE 11 HA ILE 11 -0.426 2.013 1.480 82 HB ILE 11 HB ILE 11 -2.917 3.736 1.789 83 1HG1 ILE 11 1HG1 ILE 11 -3.524 1.717 0.582 84 2HG1 ILE 11 2HG1 ILE 11 -3.452 3.068 -0.531 85 1HG2 ILE 11 3HG2 ILE 11 -0.527 4.067 -0.074 86 2HG2 ILE 11 1HG2 ILE 11 -2.071 4.893 -0.291 87 3HG2 ILE 11 2HG2 ILE 11 -1.093 5.212 1.133 88 1HD1 ILE 11 1HD1 ILE 11 -1.287 2.282 -1.389 89 2HD1 ILE 11 2HD1 ILE 11 -1.340 0.899 -0.262 90 3HD1 ILE 11 3HD1 ILE 11 -2.561 1.075 -1.538 91 H GLN 12 H GLN 12 -1.931 3.881 4.220 92 HA GLN 12 HA GLN 12 -0.088 5.956 4.251 93 1HB GLN 12 1HB GLN 12 -1.632 4.600 6.481 94 2HB GLN 12 2HB GLN 12 -0.564 5.955 6.823 95 1HG GLN 12 1HG GLN 12 -2.496 6.349 4.576 96 2HG GLN 12 2HG GLN 12 -3.174 6.242 6.193 97 1HE2 GLN 12 2HE2 GLN 12 -0.732 9.476 5.419 98 2HE2 GLN 12 1HE2 GLN 12 -0.654 8.173 4.261 99 H LYS 13 H LYS 13 0.292 2.792 5.999 100 HA LYS 13 HA LYS 13 2.822 3.640 7.032 101 1HB LYS 13 1HB LYS 13 1.300 1.747 7.903 102 2HB LYS 13 2HB LYS 13 2.017 0.748 6.639 103 1HG LYS 13 1HG LYS 13 3.109 0.358 8.769 104 2HG LYS 13 2HG LYS 13 4.267 1.059 7.662 105 1HD LYS 13 1HD LYS 13 2.773 2.991 9.434 106 2HD LYS 13 2HD LYS 13 3.876 1.870 10.246 107 1HE LYS 13 1HE LYS 13 5.736 2.582 8.796 108 2HE LYS 13 2HE LYS 13 4.680 3.675 7.922 109 1HZ LYS 13 1HZ LYS 13 5.365 4.029 10.801 110 2HZ LYS 13 2HZ LYS 13 5.946 4.846 9.468 111 3HZ LYS 13 3HZ LYS 13 4.481 5.066 9.814 112 H LEU 14 H LEU 14 1.965 2.397 3.878 113 HA LEU 14 HA LEU 14 4.652 1.561 3.103 114 1HB LEU 14 1HB LEU 14 2.381 0.959 1.930 115 2HB LEU 14 2HB LEU 14 2.414 2.569 1.270 116 HG LEU 14 HG LEU 14 3.215 1.277 -0.438 117 1HD1 LEU 14 1HD1 LEU 14 4.785 3.202 -0.057 118 2HD1 LEU 14 2HD1 LEU 14 5.857 2.087 0.820 119 3HD1 LEU 14 3HD1 LEU 14 5.518 1.820 -0.885 120 1HD2 LEU 14 3HD2 LEU 14 4.996 -0.174 1.541 121 2HD2 LEU 14 1HD2 LEU 14 3.503 -0.775 0.766 122 3HD2 LEU 14 2HD2 LEU 14 4.939 -0.441 -0.216 123 H GLU 15 H GLU 15 2.547 4.309 2.472 124 HA GLU 15 HA GLU 15 4.186 5.983 1.027 125 1HB GLU 15 1HB GLU 15 1.668 5.874 1.333 126 2HB GLU 15 2HB GLU 15 1.865 6.475 2.973 127 1HG GLU 15 1HG GLU 15 2.685 8.642 1.979 128 2HG GLU 15 2HG GLU 15 2.305 7.968 0.382 129 H ASP 16 H ASP 16 3.573 6.049 4.530 130 HA ASP 16 HA ASP 16 5.269 8.153 5.329 131 1HB ASP 16 1HB ASP 16 3.623 7.170 6.799 132 2HB ASP 16 2HB ASP 16 4.219 5.544 6.496 133 H MET 17 H MET 17 6.059 4.694 4.809 134 HA MET 17 HA MET 17 8.753 5.177 5.864 135 1HB MET 17 1HB MET 17 7.491 2.684 4.652 136 2HB MET 17 2HB MET 17 9.143 2.781 5.302 137 1HG MET 17 1HG MET 17 8.140 3.622 7.472 138 2HG MET 17 2HG MET 17 6.566 3.238 6.820 139 1HE MET 17 1HE MET 17 6.532 0.490 5.536 140 2HE MET 17 2HE MET 17 8.288 0.343 5.284 141 3HE MET 17 3HE MET 17 7.443 -0.834 6.303 142 H VAL 18 H VAL 18 7.309 4.528 2.593 143 HA VAL 18 HA VAL 18 9.963 4.376 1.419 144 HB VAL 18 HB VAL 18 7.780 3.326 0.582 145 1HG1 VAL 18 3HG1 VAL 18 6.387 5.332 0.484 146 2HG1 VAL 18 1HG1 VAL 18 7.429 5.985 -0.793 147 3HG1 VAL 18 2HG1 VAL 18 6.519 4.499 -1.086 148 1HG2 VAL 18 3HG2 VAL 18 9.854 4.555 -1.198 149 2HG2 VAL 18 1HG2 VAL 18 9.748 2.933 -0.507 150 3HG2 VAL 18 2HG2 VAL 18 8.609 3.399 -1.770 151 H GLY 19 H GLY 19 7.608 6.898 2.191 152 1HA GLY 19 1HA GLY 19 7.932 9.081 2.521 153 2HA GLY 19 2HA GLY 19 9.598 8.962 1.915 154 HA PRO 20 HA PRO 20 6.949 10.935 -1.401 155 1HB PRO 20 1HB PRO 20 8.361 13.225 -1.814 156 2HB PRO 20 2HB PRO 20 7.231 13.065 -0.432 157 1HG PRO 20 1HG PRO 20 10.241 12.657 -0.437 158 2HG PRO 20 2HG PRO 20 9.261 13.638 0.701 159 1HD PRO 20 1HD PRO 20 10.039 11.049 1.201 160 2HD PRO 20 2HD PRO 20 8.474 11.725 1.810 161 H GLN 21 H GLN 21 7.611 11.426 -3.448 162 HA GLN 21 HA GLN 21 8.334 10.445 -5.485 163 1HB GLN 21 1HB GLN 21 10.685 12.038 -4.407 164 2HB GLN 21 2HB GLN 21 10.537 11.505 -6.088 165 1HG GLN 21 1HG GLN 21 8.565 12.833 -6.455 166 2HG GLN 21 2HG GLN 21 8.413 13.213 -4.738 167 1HE2 GLN 21 2HE2 GLN 21 11.586 15.098 -6.539 168 2HE2 GLN 21 1HE2 GLN 21 11.392 13.379 -6.855 169 HA PRO 22 HA PRO 22 10.903 6.924 -3.826 170 1HB PRO 22 1HB PRO 22 9.182 4.923 -3.580 171 2HB PRO 22 2HB PRO 22 9.141 6.287 -2.420 172 1HG PRO 22 1HG PRO 22 7.421 5.965 -4.908 173 2HG PRO 22 2HG PRO 22 6.874 6.184 -3.213 174 1HD PRO 22 1HD PRO 22 7.230 8.328 -4.911 175 2HD PRO 22 2HD PRO 22 7.583 8.428 -3.157 176 H ASN 23 H ASN 23 10.611 4.429 -5.056 177 HA ASN 23 HA ASN 23 10.073 4.894 -7.916 178 1HB ASN 23 1HB ASN 23 12.149 3.962 -8.639 179 2HB ASN 23 2HB ASN 23 12.553 5.259 -7.518 180 1HD2 ASN 23 2HD2 ASN 23 13.953 3.010 -5.111 181 2HD2 ASN 23 1HD2 ASN 23 13.714 4.688 -5.577 182 H GLU 24 H GLU 24 9.889 2.982 -9.056 183 HA GLU 24 HA GLU 24 7.950 1.298 -8.274 184 1HB GLU 24 1HB GLU 24 8.773 1.925 -10.551 185 2HB GLU 24 2HB GLU 24 10.169 0.888 -10.319 186 1HG GLU 24 1HG GLU 24 8.617 -0.242 -11.740 187 2HG GLU 24 2HG GLU 24 8.606 -1.090 -10.195 188 H ASP 25 H ASP 25 11.439 0.525 -7.824 189 HA ASP 25 HA ASP 25 10.840 -2.228 -7.006 190 1HB ASP 25 1HB ASP 25 13.047 -1.915 -7.872 191 2HB ASP 25 2HB ASP 25 13.356 -0.538 -6.797 192 H THR 26 H THR 26 12.010 0.747 -5.364 193 HA THR 26 HA THR 26 11.942 -0.341 -2.810 194 HB THR 26 HB THR 26 11.476 2.599 -3.483 195 HG1 THR 26 HG1 THR 26 13.659 0.838 -3.792 196 1HG2 THR 26 3HG2 THR 26 11.484 1.824 -1.015 197 2HG2 THR 26 1HG2 THR 26 13.152 1.322 -1.257 198 3HG2 THR 26 2HG2 THR 26 12.706 3.034 -1.444 199 H VAL 27 H VAL 27 9.261 1.198 -4.581 200 HA VAL 27 HA VAL 27 7.410 1.141 -2.358 201 HB VAL 27 HB VAL 27 6.940 1.162 -5.370 202 1HG1 VAL 27 2HG1 VAL 27 5.000 1.765 -3.082 203 2HG1 VAL 27 3HG1 VAL 27 4.715 2.072 -4.805 204 3HG1 VAL 27 1HG1 VAL 27 4.896 0.406 -4.225 205 1HG2 VAL 27 2HG2 VAL 27 8.131 3.181 -4.516 206 2HG2 VAL 27 3HG2 VAL 27 6.510 3.563 -5.072 207 3HG2 VAL 27 1HG2 VAL 27 6.850 3.431 -3.329 208 H THR 28 H THR 28 8.199 -1.227 -4.967 209 HA THR 28 HA THR 28 6.220 -3.150 -4.239 210 HB THR 28 HB THR 28 8.896 -3.469 -5.679 211 HG1 THR 28 HG1 THR 28 7.691 -2.195 -6.884 212 1HG2 THR 28 3HG2 THR 28 6.500 -5.348 -5.639 213 2HG2 THR 28 1HG2 THR 28 7.946 -5.495 -6.667 214 3HG2 THR 28 2HG2 THR 28 8.096 -5.665 -4.917 215 H GLN 29 H GLN 29 9.736 -2.974 -3.323 216 HA GLN 29 HA GLN 29 9.458 -5.272 -1.608 217 1HB GLN 29 1HB GLN 29 11.666 -4.666 -0.720 218 2HB GLN 29 2HB GLN 29 11.626 -4.815 -2.475 219 1HG GLN 29 1HG GLN 29 11.940 -2.549 -2.834 220 2HG GLN 29 2HG GLN 29 11.423 -2.085 -1.203 221 1HE2 GLN 29 2HE2 GLN 29 15.333 -2.661 -1.855 222 2HE2 GLN 29 1HE2 GLN 29 14.171 -2.489 -3.159 223 H ALA 30 H ALA 30 9.218 -1.733 -0.971 224 HA ALA 30 HA ALA 30 8.988 -1.849 1.834 225 1HB ALA 30 2HB ALA 30 7.518 -0.025 -0.117 226 2HB ALA 30 3HB ALA 30 7.597 0.195 1.642 227 3HB ALA 30 1HB ALA 30 9.077 0.297 0.681 228 H ALA 31 H ALA 31 6.503 -2.504 -0.702 229 HA ALA 31 HA ALA 31 4.383 -2.771 1.178 230 1HB ALA 31 1HB ALA 31 4.040 -2.358 -1.282 231 2HB ALA 31 2HB ALA 31 4.613 -3.998 -1.633 232 3HB ALA 31 3HB ALA 31 3.118 -3.761 -0.711 233 H SER 32 H SER 32 6.471 -5.412 -0.277 234 HA SER 32 HA SER 32 4.919 -7.473 1.090 235 1HB SER 32 1HB SER 32 7.012 -8.874 0.806 236 2HB SER 32 2HB SER 32 6.408 -8.147 -0.694 237 HG SER 32 HG SER 32 8.689 -7.462 0.815 238 H GLN 33 H GLN 33 7.459 -5.339 2.231 239 HA GLN 33 HA GLN 33 7.422 -6.709 4.824 240 1HB GLN 33 1HB GLN 33 8.881 -4.162 4.048 241 2HB GLN 33 2HB GLN 33 9.156 -5.188 5.460 242 1HG GLN 33 1HG GLN 33 9.878 -5.704 2.572 243 2HG GLN 33 2HG GLN 33 10.897 -5.799 3.991 244 1HE2 GLN 33 2HE2 GLN 33 9.809 -9.170 4.778 245 2HE2 GLN 33 1HE2 GLN 33 10.359 -7.691 5.549 246 H VAL 34 H VAL 34 5.808 -3.873 3.391 247 HA VAL 34 HA VAL 34 5.181 -2.504 5.730 248 HB VAL 34 HB VAL 34 4.626 -1.925 3.238 249 1HG1 VAL 34 1HG1 VAL 34 2.780 -3.710 2.867 250 2HG1 VAL 34 2HG1 VAL 34 1.801 -2.680 3.875 251 3HG1 VAL 34 3HG1 VAL 34 2.466 -2.052 2.371 252 1HG2 VAL 34 3HG2 VAL 34 4.411 -0.347 4.919 253 2HG2 VAL 34 1HG2 VAL 34 3.008 -0.284 3.839 254 3HG2 VAL 34 2HG2 VAL 34 2.833 -1.047 5.439 255 H CYS 35 H CYS 35 3.654 -5.208 4.118 256 HA CYS 35 HA CYS 35 1.490 -5.645 5.928 257 1HB CYS 35 1HB CYS 35 2.993 -7.577 4.127 258 2HB CYS 35 2HB CYS 35 1.395 -7.851 4.838 259 H ASP 36 H ASP 36 4.796 -7.254 5.674 260 HA ASP 36 HA ASP 36 4.252 -8.846 7.993 261 1HB ASP 36 1HB ASP 36 6.291 -9.165 6.534 262 2HB ASP 36 2HB ASP 36 7.050 -7.854 7.475 263 H LYS 37 H LYS 37 5.503 -5.545 7.790 264 HA LYS 37 HA LYS 37 6.123 -5.299 10.562 265 1HB LYS 37 1HB LYS 37 6.975 -4.030 8.479 266 2HB LYS 37 2HB LYS 37 5.523 -3.034 8.603 267 1HG LYS 37 1HG LYS 37 6.307 -2.293 10.875 268 2HG LYS 37 2HG LYS 37 7.713 -3.368 10.704 269 1HD LYS 37 1HD LYS 37 8.185 -2.073 8.483 270 2HD LYS 37 2HD LYS 37 7.039 -0.874 9.113 271 1HE LYS 37 1HE LYS 37 8.478 -0.580 11.120 272 2HE LYS 37 2HE LYS 37 9.555 -1.853 10.515 273 1HZ LYS 37 2HZ LYS 37 9.125 0.708 9.114 274 2HZ LYS 37 3HZ LYS 37 10.409 0.378 10.085 275 3HZ LYS 37 1HZ LYS 37 10.186 -0.460 8.696 276 H LEU 38 H LEU 38 3.227 -4.351 8.613 277 HA LEU 38 HA LEU 38 1.773 -3.433 11.012 278 1HB LEU 38 1HB LEU 38 0.931 -4.028 8.133 279 2HB LEU 38 2HB LEU 38 -0.200 -3.555 9.391 280 HG LEU 38 HG LEU 38 2.095 -1.796 8.443 281 1HD1 LEU 38 1HD1 LEU 38 -0.883 -1.812 7.759 282 2HD1 LEU 38 2HD1 LEU 38 0.244 -0.521 7.321 283 3HD1 LEU 38 3HD1 LEU 38 0.472 -2.142 6.653 284 1HD2 LEU 38 3HD2 LEU 38 -0.312 -1.243 10.248 285 2HD2 LEU 38 1HD2 LEU 38 1.401 -1.227 10.733 286 3HD2 LEU 38 2HD2 LEU 38 0.788 -0.006 9.617 287 H LYS 39 H LYS 39 2.350 -5.430 12.204 288 HA LYS 39 HA LYS 39 1.286 -7.878 11.089 289 1HB LYS 39 1HB LYS 39 2.092 -9.023 13.146 290 2HB LYS 39 2HB LYS 39 3.232 -8.301 12.040 291 1HG LYS 39 1HG LYS 39 3.326 -6.293 13.698 292 2HG LYS 39 2HG LYS 39 2.494 -7.375 14.815 293 1HD LYS 39 1HD LYS 39 4.784 -7.559 15.308 294 2HD LYS 39 2HD LYS 39 4.420 -9.043 14.454 295 1HE LYS 39 1HE LYS 39 5.632 -6.605 13.052 296 2HE LYS 39 2HE LYS 39 6.631 -7.719 13.986 297 1HZ LYS 39 3HZ LYS 39 5.862 -9.515 12.460 298 2HZ LYS 39 1HZ LYS 39 5.144 -8.352 11.518 299 3HZ LYS 39 2HZ LYS 39 6.712 -8.381 11.680 300 H ILE 40 H ILE 40 -0.218 -9.304 12.346 301 HA ILE 40 HA ILE 40 -2.316 -9.752 13.055 302 HB ILE 40 HB ILE 40 -2.679 -6.837 13.893 303 1HG1 ILE 40 1HG1 ILE 40 -0.951 -7.830 15.289 304 2HG1 ILE 40 2HG1 ILE 40 -2.435 -7.600 16.195 305 1HG2 ILE 40 2HG2 ILE 40 -4.445 -9.258 14.342 306 2HG2 ILE 40 3HG2 ILE 40 -4.635 -7.678 15.131 307 3HG2 ILE 40 1HG2 ILE 40 -4.807 -7.811 13.386 308 1HD1 ILE 40 2HD1 ILE 40 -2.943 -10.037 15.987 309 2HD1 ILE 40 3HD1 ILE 40 -1.414 -10.261 15.099 310 3HD1 ILE 40 1HD1 ILE 40 -1.395 -9.724 16.784 311 H LEU 41 H LEU 41 -2.086 -6.487 11.509 312 HA LEU 41 HA LEU 41 -4.217 -7.139 9.629 313 1HB LEU 41 1HB LEU 41 -3.561 -4.857 10.717 314 2HB LEU 41 2HB LEU 41 -2.268 -4.811 9.522 315 HG LEU 41 HG LEU 41 -4.024 -4.921 7.715 316 1HD1 LEU 41 3HD1 LEU 41 -5.965 -4.619 10.052 317 2HD1 LEU 41 1HD1 LEU 41 -6.386 -4.388 8.353 318 3HD1 LEU 41 2HD1 LEU 41 -5.896 -5.982 8.918 319 1HD2 LEU 41 1HD2 LEU 41 -3.066 -2.772 8.494 320 2HD2 LEU 41 2HD2 LEU 41 -4.746 -2.593 7.972 321 3HD2 LEU 41 3HD2 LEU 41 -4.360 -2.640 9.704 322 H ARG 42 H ARG 42 -1.217 -8.214 9.796 323 HA ARG 42 HA ARG 42 0.057 -8.242 7.269 324 1HB ARG 42 1HB ARG 42 0.840 -9.113 9.500 325 2HB ARG 42 2HB ARG 42 -0.267 -10.470 9.348 326 1HG ARG 42 1HG ARG 42 1.100 -11.245 7.356 327 2HG ARG 42 2HG ARG 42 2.214 -9.893 7.678 328 1HD ARG 42 1HD ARG 42 2.321 -10.783 10.110 329 2HD ARG 42 2HD ARG 42 1.514 -12.232 9.516 330 HE ARG 42 HE ARG 42 4.224 -11.242 8.631 331 1HH1 ARG 42 2HH2 ARG 42 2.268 -14.068 9.634 332 2HH1 ARG 42 1HH2 ARG 42 3.658 -15.085 9.714 333 1HH2 ARG 42 2HH1 ARG 42 5.887 -12.480 8.760 334 2HH2 ARG 42 1HH1 ARG 42 5.843 -14.178 9.158 335 H GLY 43 H GLY 43 -2.711 -10.234 8.492 336 1HA GLY 43 1HA GLY 43 -2.894 -11.944 6.209 337 2HA GLY 43 2HA GLY 43 -4.213 -11.542 7.324 338 H LEU 44 H LEU 44 -4.583 -8.843 7.003 339 HA LEU 44 HA LEU 44 -6.168 -8.829 4.650 340 1HB LEU 44 1HB LEU 44 -6.479 -7.630 6.933 341 2HB LEU 44 2HB LEU 44 -5.385 -6.406 6.315 342 HG LEU 44 HG LEU 44 -7.651 -5.693 6.128 343 1HD1 LEU 44 3HD1 LEU 44 -6.070 -5.127 4.223 344 2HD1 LEU 44 1HD1 LEU 44 -6.897 -6.393 3.283 345 3HD1 LEU 44 2HD1 LEU 44 -7.792 -4.984 3.880 346 1HD2 LEU 44 3HD2 LEU 44 -8.757 -7.898 6.090 347 2HD2 LEU 44 1HD2 LEU 44 -9.382 -6.803 4.857 348 3HD2 LEU 44 2HD2 LEU 44 -8.278 -8.114 4.392 349 H CYS 45 H CYS 45 -3.218 -6.847 5.525 350 HA CYS 45 HA CYS 45 -2.704 -5.767 3.073 351 1HB CYS 45 1HB CYS 45 -1.679 -5.286 5.292 352 2HB CYS 45 2HB CYS 45 -0.721 -6.750 5.149 353 H LYS 46 H LYS 46 -1.530 -9.063 4.159 354 HA LYS 46 HA LYS 46 -0.139 -9.433 1.661 355 1HB LYS 46 1HB LYS 46 -1.134 -11.535 3.625 356 2HB LYS 46 2HB LYS 46 -0.265 -11.898 2.146 357 1HG LYS 46 1HG LYS 46 0.838 -10.575 4.635 358 2HG LYS 46 2HG LYS 46 1.365 -12.037 3.822 359 1HD LYS 46 1HD LYS 46 2.133 -10.558 1.893 360 2HD LYS 46 2HD LYS 46 1.659 -9.187 2.880 361 1HE LYS 46 1HE LYS 46 3.893 -9.184 3.288 362 2HE LYS 46 2HE LYS 46 3.306 -10.101 4.673 363 1HZ LYS 46 1HZ LYS 46 4.516 -11.218 2.206 364 2HZ LYS 46 2HZ LYS 46 5.268 -11.039 3.638 365 3HZ LYS 46 3HZ LYS 46 4.030 -12.117 3.505 366 H LYS 47 H LYS 47 -3.598 -10.069 2.532 367 HA LYS 47 HA LYS 47 -4.152 -11.220 -0.042 368 1HB LYS 47 1HB LYS 47 -5.820 -11.223 1.872 369 2HB LYS 47 2HB LYS 47 -6.091 -9.506 1.567 370 1HG LYS 47 1HG LYS 47 -6.397 -10.650 -0.994 371 2HG LYS 47 2HG LYS 47 -7.039 -11.888 0.063 372 1HD LYS 47 1HD LYS 47 -8.640 -10.310 1.009 373 2HD LYS 47 2HD LYS 47 -7.942 -8.962 0.104 374 1HE LYS 47 1HE LYS 47 -9.097 -11.437 -1.262 375 2HE LYS 47 2HE LYS 47 -10.109 -10.072 -0.793 376 1HZ LYS 47 3HZ LYS 47 -7.852 -9.882 -2.719 377 2HZ LYS 47 1HZ LYS 47 -9.432 -9.903 -3.087 378 3HZ LYS 47 2HZ LYS 47 -8.823 -8.646 -2.250 379 H ILE 48 H ILE 48 -4.169 -7.780 1.097 380 HA ILE 48 HA ILE 48 -5.128 -6.619 -1.290 381 HB ILE 48 HB ILE 48 -3.236 -5.547 0.826 382 1HG1 ILE 48 1HG1 ILE 48 -5.622 -6.109 1.455 383 2HG1 ILE 48 2HG1 ILE 48 -5.074 -4.478 1.811 384 1HG2 ILE 48 1HG2 ILE 48 -4.455 -3.974 -1.465 385 2HG2 ILE 48 2HG2 ILE 48 -3.737 -3.256 -0.006 386 3HG2 ILE 48 3HG2 ILE 48 -2.738 -4.209 -1.102 387 1HD1 ILE 48 1HD1 ILE 48 -6.798 -5.225 -0.584 388 2HD1 ILE 48 2HD1 ILE 48 -7.404 -4.605 0.964 389 3HD1 ILE 48 3HD1 ILE 48 -6.357 -3.586 -0.031 390 H MET 49 H MET 49 -1.735 -7.413 -0.363 391 HA MET 49 HA MET 49 -0.758 -6.467 -2.908 392 1HB MET 49 1HB MET 49 0.623 -8.288 -0.889 393 2HB MET 49 2HB MET 49 1.392 -7.442 -2.236 394 1HG MET 49 1HG MET 49 0.131 -6.256 0.239 395 2HG MET 49 2HG MET 49 1.802 -6.126 -0.275 396 1HE MET 49 1HE MET 49 -0.672 -4.010 0.687 397 2HE MET 49 2HE MET 49 1.029 -3.481 0.653 398 3HE MET 49 3HE MET 49 -0.216 -2.552 -0.211 399 H ARG 50 H ARG 50 -1.450 -9.848 -1.751 400 HA ARG 50 HA ARG 50 -0.662 -11.191 -4.120 401 1HB ARG 50 1HB ARG 50 -1.368 -12.264 -2.013 402 2HB ARG 50 2HB ARG 50 -3.005 -11.708 -2.231 403 1HG ARG 50 1HG ARG 50 -2.772 -14.080 -2.693 404 2HG ARG 50 2HG ARG 50 -3.410 -13.208 -4.068 405 1HD ARG 50 1HD ARG 50 -0.437 -13.781 -3.982 406 2HD ARG 50 2HD ARG 50 -1.564 -15.112 -4.279 407 HE ARG 50 HE ARG 50 -1.839 -12.662 -5.912 408 1HH1 ARG 50 2HH2 ARG 50 -0.828 -16.085 -5.890 409 2HH1 ARG 50 1HH2 ARG 50 -0.945 -16.264 -7.595 410 1HH2 ARG 50 2HH1 ARG 50 -1.979 -12.893 -8.134 411 2HH2 ARG 50 1HH1 ARG 50 -1.603 -14.380 -8.921 412 H SER 51 H SER 51 -3.581 -9.496 -3.335 413 HA SER 51 HA SER 51 -5.008 -10.120 -5.778 414 1HB SER 51 1HB SER 51 -5.872 -9.673 -3.409 415 2HB SER 51 2HB SER 51 -5.613 -7.953 -3.721 416 HG SER 51 HG SER 51 -7.124 -8.227 -5.464 417 H PHE 52 H PHE 52 -3.164 -7.159 -4.626 418 HA PHE 52 HA PHE 52 -3.307 -6.130 -7.423 419 1HB PHE 52 1HB PHE 52 -3.914 -4.435 -4.985 420 2HB PHE 52 2HB PHE 52 -4.309 -4.100 -6.656 421 HD1 PHE 52 HD2 PHE 52 -6.180 -5.760 -7.712 422 HD2 PHE 52 HD1 PHE 52 -5.568 -4.955 -3.519 423 HE1 PHE 52 HE2 PHE 52 -8.549 -6.321 -7.250 424 HE2 PHE 52 HE1 PHE 52 -7.940 -5.499 -3.065 425 HZ PHE 52 HZ PHE 52 -9.442 -6.176 -4.935 426 H LEU 53 H LEU 53 -0.772 -7.004 -5.773 427 HA LEU 53 HA LEU 53 0.426 -4.834 -4.572 428 1HB LEU 53 1HB LEU 53 1.270 -7.258 -4.727 429 2HB LEU 53 2HB LEU 53 2.054 -6.805 -6.216 430 HG LEU 53 HG LEU 53 2.499 -5.612 -3.432 431 1HD1 LEU 53 1HD1 LEU 53 3.299 -7.947 -3.703 432 2HD1 LEU 53 2HD1 LEU 53 4.284 -7.440 -5.093 433 3HD1 LEU 53 3HD1 LEU 53 4.635 -6.810 -3.474 434 1HD2 LEU 53 1HD2 LEU 53 3.986 -4.976 -6.015 435 2HD2 LEU 53 2HD2 LEU 53 3.150 -3.843 -4.914 436 3HD2 LEU 53 3HD2 LEU 53 4.606 -4.640 -4.387 437 H ARG 54 H ARG 54 1.013 -5.790 -7.966 438 HA ARG 54 HA ARG 54 2.587 -3.646 -8.765 439 1HB ARG 54 1HB ARG 54 1.796 -5.831 -10.009 440 2HB ARG 54 2HB ARG 54 0.424 -4.862 -10.522 441 1HG ARG 54 1HG ARG 54 1.825 -4.667 -12.323 442 2HG ARG 54 2HG ARG 54 2.246 -3.202 -11.452 443 1HD ARG 54 1HD ARG 54 3.761 -5.876 -11.388 444 2HD ARG 54 2HD ARG 54 4.222 -4.484 -12.357 445 HE ARG 54 HE ARG 54 4.921 -4.952 -9.641 446 1HH1 ARG 54 2HH2 ARG 54 4.210 -2.324 -11.943 447 2HH1 ARG 54 1HH2 ARG 54 5.090 -1.156 -11.064 448 1HH2 ARG 54 2HH1 ARG 54 6.089 -3.236 -8.365 449 2HH2 ARG 54 1HH1 ARG 54 6.032 -1.679 -9.065 450 H ARG 55 H ARG 55 -1.014 -3.561 -8.311 451 HA ARG 55 HA ARG 55 -1.283 -1.000 -9.595 452 1HB ARG 55 1HB ARG 55 -3.126 -2.752 -7.967 453 2HB ARG 55 2HB ARG 55 -3.524 -1.150 -8.527 454 1HG ARG 55 1HG ARG 55 -2.512 -2.266 -10.857 455 2HG ARG 55 2HG ARG 55 -3.216 -3.674 -10.067 456 1HD ARG 55 1HD ARG 55 -4.865 -2.876 -11.462 457 2HD ARG 55 2HD ARG 55 -5.341 -2.218 -9.872 458 HE ARG 55 HE ARG 55 -4.138 -0.108 -10.666 459 1HH1 ARG 55 2HH2 ARG 55 -5.867 -2.151 -13.014 460 2HH1 ARG 55 1HH2 ARG 55 -6.239 -0.831 -14.057 461 1HH2 ARG 55 2HH1 ARG 55 -4.716 1.609 -11.960 462 2HH2 ARG 55 1HH1 ARG 55 -5.516 1.371 -13.466 463 H ILE 56 H ILE 56 -0.952 -2.222 -6.182 464 HA ILE 56 HA ILE 56 -1.283 0.339 -4.929 465 HB ILE 56 HB ILE 56 0.031 -2.278 -4.209 466 1HG1 ILE 56 1HG1 ILE 56 -1.638 -2.589 -2.671 467 2HG1 ILE 56 2HG1 ILE 56 -1.925 -0.877 -2.431 468 1HG2 ILE 56 3HG2 ILE 56 0.251 0.202 -2.474 469 2HG2 ILE 56 1HG2 ILE 56 0.614 -1.461 -1.960 470 3HG2 ILE 56 2HG2 ILE 56 1.590 -0.705 -3.209 471 1HD1 ILE 56 2HD1 ILE 56 -2.840 -2.397 -4.886 472 2HD1 ILE 56 3HD1 ILE 56 -3.835 -2.011 -3.481 473 3HD1 ILE 56 1HD1 ILE 56 -3.188 -0.709 -4.498 474 H SER 57 H SER 57 1.526 -1.104 -6.634 475 HA SER 57 HA SER 57 3.282 0.902 -5.733 476 1HB SER 57 1HB SER 57 3.864 -1.331 -6.878 477 2HB SER 57 2HB SER 57 3.610 -0.465 -8.414 478 HG SER 57 HG SER 57 5.608 0.176 -8.098 479 H TRP 58 H TRP 58 1.470 0.704 -8.852 480 HA TRP 58 HA TRP 58 2.052 3.242 -9.886 481 1HB TRP 58 1HB TRP 58 0.750 2.201 -11.413 482 2HB TRP 58 2HB TRP 58 -0.097 1.252 -10.214 483 HD1 TRP 58 HD1 TRP 58 -0.256 4.967 -11.380 484 HE1 TRP 58 HE1 TRP 58 -2.634 5.772 -11.269 485 HE3 TRP 58 HE3 TRP 58 -2.430 0.796 -9.431 486 HZ2 TRP 58 HZ2 TRP 58 -5.349 4.492 -10.938 487 HZ3 TRP 58 HZ3 TRP 58 -4.798 0.743 -8.953 488 HH2 TRP 58 HH2 TRP 58 -6.306 2.493 -9.725 489 H ASP 59 H ASP 59 -0.489 2.374 -7.538 490 HA ASP 59 HA ASP 59 -1.432 4.996 -7.214 491 1HB ASP 59 1HB ASP 59 -1.818 2.489 -5.615 492 2HB ASP 59 2HB ASP 59 -2.246 3.984 -4.887 493 HD2 ASP 59 HD2 ASP 59 -5.170 2.973 -7.032 494 H ILE 60 H ILE 60 1.193 3.535 -5.219 495 HA ILE 60 HA ILE 60 1.508 6.038 -3.786 496 HB ILE 60 HB ILE 60 3.200 3.569 -4.079 497 1HG1 ILE 60 1HG1 ILE 60 3.146 3.788 -1.524 498 2HG1 ILE 60 2HG1 ILE 60 1.973 5.079 -1.722 499 1HG2 ILE 60 2HG2 ILE 60 4.159 6.162 -2.800 500 2HG2 ILE 60 3HG2 ILE 60 4.927 4.571 -2.623 501 3HG2 ILE 60 1HG2 ILE 60 4.877 5.332 -4.202 502 1HD1 ILE 60 3HD1 ILE 60 1.654 2.208 -2.672 503 2HD1 ILE 60 1HD1 ILE 60 1.017 2.864 -1.161 504 3HD1 ILE 60 2HD1 ILE 60 0.392 3.479 -2.709 505 H LEU 61 H LEU 61 3.245 4.691 -6.638 506 HA LEU 61 HA LEU 61 5.008 6.785 -7.028 507 1HB LEU 61 1HB LEU 61 3.639 5.003 -9.073 508 2HB LEU 61 2HB LEU 61 4.987 6.062 -9.471 509 HG LEU 61 HG LEU 61 5.211 3.914 -7.325 510 1HD1 LEU 61 1HD1 LEU 61 4.608 2.845 -9.464 511 2HD1 LEU 61 2HD1 LEU 61 5.918 3.721 -10.288 512 3HD1 LEU 61 3HD1 LEU 61 6.282 2.517 -9.039 513 1HD2 LEU 61 1HD2 LEU 61 6.957 5.716 -7.293 514 2HD2 LEU 61 2HD2 LEU 61 7.590 4.115 -7.666 515 3HD2 LEU 61 3HD2 LEU 61 7.369 5.305 -8.967 516 H THR 62 H THR 62 1.619 6.686 -8.154 517 HA THR 62 HA THR 62 1.911 9.269 -9.529 518 HB THR 62 HB THR 62 -0.595 9.051 -9.827 519 HG1 THR 62 HG1 THR 62 -0.112 6.432 -8.824 520 1HG2 THR 62 1HG2 THR 62 1.029 8.420 -11.551 521 2HG2 THR 62 2HG2 THR 62 1.156 6.789 -10.868 522 3HG2 THR 62 3HG2 THR 62 -0.382 7.357 -11.572 523 H GLY 63 H GLY 63 2.298 8.824 -6.485 524 1HA GLY 63 1HA GLY 63 1.864 9.727 -4.492 525 2HA GLY 63 2HA GLY 63 1.845 11.258 -5.387 526 H LYS 64 H LYS 64 -0.472 8.470 -5.384 527 HA LYS 64 HA LYS 64 -2.624 10.459 -5.199 528 1HB LYS 64 1HB LYS 64 -2.590 8.580 -6.826 529 2HB LYS 64 2HB LYS 64 -2.727 7.413 -5.522 530 1HG LYS 64 1HG LYS 64 -4.936 8.552 -4.892 531 2HG LYS 64 2HG LYS 64 -4.748 9.561 -6.331 532 1HD LYS 64 1HD LYS 64 -5.044 6.531 -6.240 533 2HD LYS 64 2HD LYS 64 -6.253 7.688 -6.792 534 1HE LYS 64 1HE LYS 64 -4.827 8.316 -8.713 535 2HE LYS 64 2HE LYS 64 -3.532 7.257 -8.120 536 1HZ LYS 64 1HZ LYS 64 -6.207 6.243 -8.926 537 2HZ LYS 64 2HZ LYS 64 -4.827 6.168 -9.824 538 3HZ LYS 64 3HZ LYS 64 -4.958 5.375 -8.400 539 H LYS 65 H LYS 65 -4.081 10.476 -3.423 540 HA LYS 65 HA LYS 65 -2.618 9.920 -0.921 541 1HB LYS 65 1HB LYS 65 -5.260 11.305 -1.437 542 2HB LYS 65 2HB LYS 65 -4.583 11.105 0.173 543 1HG LYS 65 1HG LYS 65 -3.296 12.602 -2.159 544 2HG LYS 65 2HG LYS 65 -3.982 13.279 -0.701 545 1HD LYS 65 1HD LYS 65 -1.908 13.388 0.045 546 2HD LYS 65 2HD LYS 65 -2.025 11.690 0.429 547 1HE LYS 65 1HE LYS 65 -1.085 12.491 -2.355 548 2HE LYS 65 2HE LYS 65 -0.039 12.865 -0.991 549 1HZ LYS 65 2HZ LYS 65 -0.092 10.453 -0.401 550 2HZ LYS 65 3HZ LYS 65 -0.839 10.140 -1.817 551 3HZ LYS 65 1HZ LYS 65 0.640 10.814 -1.809 552 HA PRO 66 HA PRO 66 -3.863 6.037 0.158 553 1HB PRO 66 1HB PRO 66 -4.501 6.105 2.872 554 2HB PRO 66 2HB PRO 66 -2.852 6.182 2.193 555 1HG PRO 66 1HG PRO 66 -4.616 8.510 2.998 556 2HG PRO 66 2HG PRO 66 -2.896 8.232 3.396 557 1HD PRO 66 1HD PRO 66 -3.489 9.846 1.403 558 2HD PRO 66 2HD PRO 66 -2.202 8.629 1.163 559 H GLN 67 H GLN 67 -6.298 8.055 1.885 560 HA GLN 67 HA GLN 67 -8.226 5.992 1.837 561 1HB GLN 67 1HB GLN 67 -8.055 8.091 3.292 562 2HB GLN 67 2HB GLN 67 -8.863 8.966 1.986 563 1HG GLN 67 1HG GLN 67 -10.854 7.606 2.227 564 2HG GLN 67 2HG GLN 67 -10.009 6.439 3.255 565 1HE2 GLN 67 2HE2 GLN 67 -11.856 9.451 5.097 566 2HE2 GLN 67 1HE2 GLN 67 -12.206 8.971 3.452 567 H ALA 68 H ALA 68 -7.375 8.347 -0.643 568 HA ALA 68 HA ALA 68 -9.736 7.798 -2.306 569 1HB ALA 68 3HB ALA 68 -8.615 10.018 -2.381 570 2HB ALA 68 1HB ALA 68 -7.099 9.244 -2.911 571 3HB ALA 68 2HB ALA 68 -8.536 9.199 -3.951 572 H ILE 69 H ILE 69 -6.220 6.772 -2.227 573 HA ILE 69 HA ILE 69 -6.224 5.156 -4.532 574 HB ILE 69 HB ILE 69 -4.813 4.925 -1.847 575 1HG1 ILE 69 1HG1 ILE 69 -3.758 5.409 -4.646 576 2HG1 ILE 69 2HG1 ILE 69 -4.237 6.692 -3.596 577 1HG2 ILE 69 1HG2 ILE 69 -4.680 2.937 -4.137 578 2HG2 ILE 69 2HG2 ILE 69 -3.389 3.080 -2.937 579 3HG2 ILE 69 3HG2 ILE 69 -5.001 2.615 -2.433 580 1HD1 ILE 69 3HD1 ILE 69 -2.061 4.717 -2.761 581 2HD1 ILE 69 1HD1 ILE 69 -1.767 6.243 -3.573 582 3HD1 ILE 69 2HD1 ILE 69 -2.540 6.231 -1.978 583 H CYS 70 H CYS 70 -7.283 4.357 -1.222 584 HA CYS 70 HA CYS 70 -8.108 1.715 -1.924 585 1HB CYS 70 1HB CYS 70 -8.993 3.570 0.301 586 2HB CYS 70 2HB CYS 70 -9.284 1.806 0.232 587 H VAL 71 H VAL 71 -10.094 4.832 -2.157 588 HA VAL 71 HA VAL 71 -12.373 3.164 -2.907 589 HB VAL 71 HB VAL 71 -12.089 6.146 -3.413 590 1HG1 VAL 71 3HG1 VAL 71 -14.484 4.184 -3.270 591 2HG1 VAL 71 1HG1 VAL 71 -14.647 5.958 -3.384 592 3HG1 VAL 71 2HG1 VAL 71 -13.930 5.051 -4.709 593 1HG2 VAL 71 1HG2 VAL 71 -11.922 5.700 -0.987 594 2HG2 VAL 71 2HG2 VAL 71 -13.445 6.473 -1.404 595 3HG2 VAL 71 3HG2 VAL 71 -13.406 4.749 -1.072 596 H ASP 72 H ASP 72 -9.763 4.809 -4.658 597 HA ASP 72 HA ASP 72 -10.474 4.781 -7.299 598 1HB ASP 72 1HB ASP 72 -8.575 5.886 -6.498 599 2HB ASP 72 2HB ASP 72 -7.896 4.470 -5.781 600 H ILE 73 H ILE 73 -8.731 2.046 -5.710 601 HA ILE 73 HA ILE 73 -9.575 0.331 -8.002 602 HB ILE 73 HB ILE 73 -8.121 -1.401 -6.836 603 1HG1 ILE 73 1HG1 ILE 73 -7.032 1.086 -5.443 604 2HG1 ILE 73 2HG1 ILE 73 -8.029 -0.138 -4.632 605 1HG2 ILE 73 3HG2 ILE 73 -7.572 -0.155 -8.914 606 2HG2 ILE 73 1HG2 ILE 73 -6.770 1.071 -7.907 607 3HG2 ILE 73 2HG2 ILE 73 -6.171 -0.615 -7.947 608 1HD1 ILE 73 1HD1 ILE 73 -6.274 -1.819 -5.296 609 2HD1 ILE 73 2HD1 ILE 73 -5.285 -0.438 -5.863 610 3HD1 ILE 73 3HD1 ILE 73 -5.749 -0.544 -4.150 611 H LYS 74 H LYS 74 -10.911 1.250 -5.244 612 HA LYS 74 HA LYS 74 -12.895 0.838 -4.323 613 1HB LYS 74 1HB LYS 74 -13.655 0.189 -6.601 614 2HB LYS 74 2HB LYS 74 -13.302 -1.495 -6.187 615 1HG LYS 74 1HG LYS 74 -14.773 -0.866 -4.009 616 2HG LYS 74 2HG LYS 74 -15.373 0.406 -5.044 617 1HD LYS 74 1HD LYS 74 -16.826 -1.592 -5.012 618 2HD LYS 74 2HD LYS 74 -16.256 -1.203 -6.631 619 1HE LYS 74 1HE LYS 74 -16.297 -3.658 -6.060 620 2HE LYS 74 2HE LYS 74 -14.749 -3.056 -6.671 621 1HZ LYS 74 2HZ LYS 74 -15.281 -3.385 -3.764 622 2HZ LYS 74 3HZ LYS 74 -14.565 -4.536 -4.684 623 3HZ LYS 74 1HZ LYS 74 -13.877 -3.065 -4.445 624 H ILE 75 H ILE 75 -11.553 0.488 -2.674 625 HA ILE 75 HA ILE 75 -11.925 -2.026 -1.170 626 HB ILE 75 HB ILE 75 -9.379 -0.338 -1.247 627 1HG1 ILE 75 1HG1 ILE 75 -9.945 -3.020 -2.596 628 2HG1 ILE 75 2HG1 ILE 75 -9.577 -1.489 -3.395 629 1HG2 ILE 75 3HG2 ILE 75 -9.785 -1.479 0.892 630 2HG2 ILE 75 1HG2 ILE 75 -9.961 -3.032 0.040 631 3HG2 ILE 75 2HG2 ILE 75 -8.403 -2.178 0.072 632 1HD1 ILE 75 1HD1 ILE 75 -7.328 -1.509 -2.232 633 2HD1 ILE 75 2HD1 ILE 75 -7.691 -3.207 -1.817 634 3HD1 ILE 75 3HD1 ILE 75 -7.609 -2.719 -3.509 635 H CYS 76 H CYS 76 -11.958 1.500 -1.379 636 HA CYS 76 HA CYS 76 -12.855 1.599 1.417 637 1HB CYS 76 1HB CYS 76 -10.765 2.792 1.353 638 2HB CYS 76 2HB CYS 76 -11.362 3.807 0.033 639 H LYS 77 H LYS 77 -14.284 3.604 1.710 640 HA LYS 77 HA LYS 77 -16.422 4.254 1.550 641 1HB LYS 77 1HB LYS 77 -15.442 5.808 -0.092 642 2HB LYS 77 2HB LYS 77 -15.779 4.668 -1.394 643 1HG LYS 77 1HG LYS 77 -18.166 5.311 0.240 644 2HG LYS 77 2HG LYS 77 -17.435 6.741 -0.456 645 1HD LYS 77 1HD LYS 77 -17.913 6.180 -2.622 646 2HD LYS 77 2HD LYS 77 -17.823 4.441 -2.361 647 1HE LYS 77 1HE LYS 77 -20.051 6.097 -1.132 648 2HE LYS 77 2HE LYS 77 -20.159 5.522 -2.803 649 1HZ LYS 77 3HZ LYS 77 -19.581 3.652 -0.602 650 2HZ LYS 77 1HZ LYS 77 -21.144 4.021 -1.031 651 3HZ LYS 77 2HZ LYS 77 -20.096 3.304 -2.086 652 H GLU 78 H GLU 78 -15.625 1.464 1.294 653 HA GLU 78 HA GLU 78 -17.734 0.350 -0.280 654 1HB GLU 78 1HB GLU 78 -15.448 -0.910 1.337 655 2HB GLU 78 2HB GLU 78 -16.738 -1.850 0.593 656 1HG GLU 78 1HG GLU 78 -16.038 -0.685 -1.635 657 2HG GLU 78 2HG GLU 78 -14.549 -0.289 -0.782 No H/Q in entry = 657 Start of MODEL 10 1 1H GLY 1 3H GLY 1 -17.058 -0.059 4.650 2 2H GLY 1 1H GLY 1 -16.160 -0.756 3.481 3 3H GLY 1 2H GLY 1 -17.744 -1.165 3.631 4 1HA GLY 1 1HA GLY 1 -17.356 -2.181 5.777 5 2HA GLY 1 2HA GLY 1 -16.326 -2.905 4.521 6 H TYR 2 H TYR 2 -15.414 -3.224 7.159 7 HA TYR 2 HA TYR 2 -13.753 -1.247 8.193 8 1HB TYR 2 1HB TYR 2 -14.139 -3.310 9.412 9 2HB TYR 2 2HB TYR 2 -13.343 -4.258 8.154 10 HD1 TYR 2 HD2 TYR 2 -12.494 -1.177 10.211 11 HD2 TYR 2 HD1 TYR 2 -11.186 -5.041 8.784 12 HE1 TYR 2 HE2 TYR 2 -10.247 -0.738 11.086 13 HE2 TYR 2 HE1 TYR 2 -8.927 -4.607 9.699 14 HH TYR 2 HH TYR 2 -8.075 -1.292 10.745 15 H PHE 3 H PHE 3 -13.173 -3.367 5.433 16 HA PHE 3 HA PHE 3 -10.613 -3.088 4.730 17 1HB PHE 3 1HB PHE 3 -13.109 -2.863 3.041 18 2HB PHE 3 2HB PHE 3 -11.514 -2.734 2.328 19 HD1 PHE 3 HD2 PHE 3 -9.806 -4.532 2.655 20 HD2 PHE 3 HD1 PHE 3 -14.031 -5.093 3.318 21 HE1 PHE 3 HE2 PHE 3 -9.535 -6.975 2.307 22 HE2 PHE 3 HE1 PHE 3 -13.758 -7.530 2.970 23 HZ PHE 3 HZ PHE 3 -11.526 -8.471 2.455 24 H CYS 4 H CYS 4 -12.903 -0.305 4.586 25 HA CYS 4 HA CYS 4 -11.235 1.394 3.042 26 1HB CYS 4 1HB CYS 4 -13.696 1.744 3.816 27 2HB CYS 4 2HB CYS 4 -13.015 2.349 5.317 28 H GLU 5 H GLU 5 -11.441 0.954 6.610 29 HA GLU 5 HA GLU 5 -9.327 2.820 7.264 30 1HB GLU 5 1HB GLU 5 -11.241 1.973 8.754 31 2HB GLU 5 2HB GLU 5 -10.353 0.465 8.910 32 1HG GLU 5 1HG GLU 5 -9.340 3.238 9.688 33 2HG GLU 5 2HG GLU 5 -10.043 2.072 10.802 34 H SER 6 H SER 6 -9.575 -0.771 6.890 35 HA SER 6 HA SER 6 -6.952 -1.421 7.540 36 1HB SER 6 1HB SER 6 -8.335 -2.745 5.185 37 2HB SER 6 2HB SER 6 -7.296 -3.455 6.419 38 HG SER 6 HG SER 6 -9.143 -2.846 7.901 39 H CYS 7 H CYS 7 -8.254 -0.528 4.359 40 HA CYS 7 HA CYS 7 -5.905 -0.652 2.780 41 1HB CYS 7 1HB CYS 7 -8.103 -0.713 1.858 42 2HB CYS 7 2HB CYS 7 -8.556 0.813 2.591 43 H ARG 8 H ARG 8 -7.565 2.156 4.374 44 HA ARG 8 HA ARG 8 -5.680 4.082 3.616 45 1HB ARG 8 1HB ARG 8 -7.878 4.584 4.581 46 2HB ARG 8 2HB ARG 8 -7.396 3.950 6.149 47 1HG ARG 8 1HG ARG 8 -5.713 6.151 4.970 48 2HG ARG 8 2HG ARG 8 -7.342 6.577 5.490 49 1HD ARG 8 1HD ARG 8 -6.906 5.906 7.759 50 2HD ARG 8 2HD ARG 8 -5.391 5.141 7.315 51 HE ARG 8 HE ARG 8 -4.330 7.238 7.089 52 1HH1 ARG 8 2HH2 ARG 8 -7.729 7.757 8.011 53 2HH1 ARG 8 1HH2 ARG 8 -7.492 9.418 8.400 54 1HH2 ARG 8 2HH1 ARG 8 -4.032 9.363 7.509 55 2HH2 ARG 8 1HH1 ARG 8 -5.277 10.372 8.173 56 H LYS 9 H LYS 9 -5.673 1.954 6.495 57 HA LYS 9 HA LYS 9 -3.252 2.951 7.602 58 1HB LYS 9 1HB LYS 9 -5.075 1.385 8.617 59 2HB LYS 9 2HB LYS 9 -4.194 0.065 7.840 60 1HG LYS 9 1HG LYS 9 -2.100 0.970 9.070 61 2HG LYS 9 2HG LYS 9 -3.214 1.990 9.981 62 1HD LYS 9 1HD LYS 9 -2.998 -1.030 9.944 63 2HD LYS 9 2HD LYS 9 -2.754 0.046 11.311 64 1HE LYS 9 1HE LYS 9 -5.414 -0.576 9.940 65 2HE LYS 9 2HE LYS 9 -4.866 -1.237 11.481 66 1HZ LYS 9 2HZ LYS 9 -5.017 1.052 12.387 67 2HZ LYS 9 3HZ LYS 9 -5.589 1.570 10.892 68 3HZ LYS 9 1HZ LYS 9 -6.439 0.549 11.671 69 H ILE 10 H ILE 10 -3.827 0.192 5.357 70 HA ILE 10 HA ILE 10 -1.128 -0.671 5.244 71 HB ILE 10 HB ILE 10 -3.495 -1.151 3.438 72 1HG1 ILE 10 1HG1 ILE 10 -1.983 -3.097 5.246 73 2HG1 ILE 10 2HG1 ILE 10 -3.227 -2.064 5.910 74 1HG2 ILE 10 2HG2 ILE 10 -0.742 -2.482 3.306 75 2HG2 ILE 10 3HG2 ILE 10 -2.178 -3.038 2.431 76 3HG2 ILE 10 1HG2 ILE 10 -1.471 -1.475 2.041 77 1HD1 ILE 10 1HD1 ILE 10 -3.735 -4.009 3.629 78 2HD1 ILE 10 2HD1 ILE 10 -4.074 -4.311 5.335 79 3HD1 ILE 10 3HD1 ILE 10 -4.928 -3.019 4.468 80 H ILE 11 H ILE 11 -2.913 1.527 3.014 81 HA ILE 11 HA ILE 11 -0.637 2.068 1.357 82 HB ILE 11 HB ILE 11 -3.171 3.646 1.984 83 1HG1 ILE 11 1HG1 ILE 11 -3.729 1.637 0.784 84 2HG1 ILE 11 2HG1 ILE 11 -3.896 3.008 -0.297 85 1HG2 ILE 11 2HG2 ILE 11 -1.087 4.306 -0.129 86 2HG2 ILE 11 3HG2 ILE 11 -2.689 5.033 -0.003 87 3HG2 ILE 11 1HG2 ILE 11 -1.516 5.288 1.274 88 1HD1 ILE 11 1HD1 ILE 11 -1.725 2.405 -1.370 89 2HD1 ILE 11 2HD1 ILE 11 -1.607 0.995 -0.285 90 3HD1 ILE 11 3HD1 ILE 11 -2.927 1.108 -1.452 91 H GLN 12 H GLN 12 -1.993 3.961 4.149 92 HA GLN 12 HA GLN 12 0.013 5.932 3.994 93 1HB GLN 12 1HB GLN 12 -1.723 4.997 6.312 94 2HB GLN 12 2HB GLN 12 -0.570 6.318 6.458 95 1HG GLN 12 1HG GLN 12 -2.089 6.738 4.023 96 2HG GLN 12 2HG GLN 12 -3.211 6.429 5.350 97 1HE2 GLN 12 2HE2 GLN 12 -0.754 9.774 5.460 98 2HE2 GLN 12 1HE2 GLN 12 -0.486 8.531 4.268 99 H LYS 13 H LYS 13 0.111 2.769 5.758 100 HA LYS 13 HA LYS 13 2.562 3.645 6.970 101 1HB LYS 13 1HB LYS 13 0.990 1.835 7.912 102 2HB LYS 13 2HB LYS 13 1.794 0.747 6.768 103 1HG LYS 13 1HG LYS 13 2.938 0.525 8.887 104 2HG LYS 13 2HG LYS 13 4.022 1.418 7.825 105 1HD LYS 13 1HD LYS 13 3.148 3.573 8.883 106 2HD LYS 13 2HD LYS 13 2.202 2.586 9.998 107 1HE LYS 13 1HE LYS 13 4.215 1.743 11.031 108 2HE LYS 13 2HE LYS 13 5.202 2.337 9.673 109 1HZ LYS 13 2HZ LYS 13 3.750 4.244 11.397 110 2HZ LYS 13 3HZ LYS 13 5.325 3.816 11.663 111 3HZ LYS 13 1HZ LYS 13 4.898 4.536 10.288 112 H LEU 14 H LEU 14 1.814 2.263 3.802 113 HA LEU 14 HA LEU 14 4.556 1.382 3.298 114 1HB LEU 14 1HB LEU 14 2.297 0.754 2.027 115 2HB LEU 14 2HB LEU 14 2.558 2.264 1.188 116 HG LEU 14 HG LEU 14 4.364 -0.174 1.227 117 1HD1 LEU 14 3HD1 LEU 14 2.702 1.164 -0.932 118 2HD1 LEU 14 1HD1 LEU 14 3.818 -0.165 -1.222 119 3HD1 LEU 14 2HD1 LEU 14 2.411 -0.413 -0.164 120 1HD2 LEU 14 3HD2 LEU 14 4.972 2.478 -0.120 121 2HD2 LEU 14 1HD2 LEU 14 5.949 1.600 1.083 122 3HD2 LEU 14 2HD2 LEU 14 5.754 0.929 -0.518 123 H GLU 15 H GLU 15 2.529 4.251 2.656 124 HA GLU 15 HA GLU 15 4.330 5.937 1.348 125 1HB GLU 15 1HB GLU 15 1.793 6.021 1.768 126 2HB GLU 15 2HB GLU 15 2.149 6.653 3.367 127 1HG GLU 15 1HG GLU 15 3.036 8.701 2.388 128 2HG GLU 15 2HG GLU 15 2.836 8.018 0.761 129 H ASP 16 H ASP 16 3.660 5.787 4.870 130 HA ASP 16 HA ASP 16 5.785 7.274 5.921 131 1HB ASP 16 1HB ASP 16 4.004 6.467 7.341 132 2HB ASP 16 2HB ASP 16 4.195 4.831 6.763 133 H MET 17 H MET 17 6.032 4.065 4.519 134 HA MET 17 HA MET 17 8.679 3.627 5.762 135 1HB MET 17 1HB MET 17 6.938 1.936 3.922 136 2HB MET 17 2HB MET 17 8.623 1.526 4.307 137 1HG MET 17 1HG MET 17 8.176 1.533 6.653 138 2HG MET 17 2HG MET 17 6.543 2.134 6.434 139 1HE MET 17 3HE MET 17 8.919 -0.492 6.779 140 2HE MET 17 1HE MET 17 8.067 -2.021 6.528 141 3HE MET 17 2HE MET 17 8.723 -1.111 5.123 142 H VAL 18 H VAL 18 7.358 3.951 2.409 143 HA VAL 18 HA VAL 18 10.035 3.838 1.357 144 HB VAL 18 HB VAL 18 7.799 3.193 0.264 145 1HG1 VAL 18 3HG1 VAL 18 6.614 5.315 0.441 146 2HG1 VAL 18 1HG1 VAL 18 7.798 6.061 -0.659 147 3HG1 VAL 18 2HG1 VAL 18 6.772 4.746 -1.239 148 1HG2 VAL 18 1HG2 VAL 18 10.062 4.478 -1.228 149 2HG2 VAL 18 2HG2 VAL 18 9.822 2.783 -0.756 150 3HG2 VAL 18 3HG2 VAL 18 8.767 3.487 -1.977 151 H GLY 19 H GLY 19 7.827 6.471 2.338 152 1HA GLY 19 1HA GLY 19 8.360 8.551 3.006 153 2HA GLY 19 2HA GLY 19 10.066 8.271 2.632 154 HA PRO 20 HA PRO 20 8.531 11.174 -0.589 155 1HB PRO 20 1HB PRO 20 10.906 12.227 -1.434 156 2HB PRO 20 2HB PRO 20 10.226 12.597 0.178 157 1HG PRO 20 1HG PRO 20 12.294 10.482 -0.525 158 2HG PRO 20 2HG PRO 20 12.398 11.746 0.746 159 1HD PRO 20 1HD PRO 20 11.559 9.196 1.262 160 2HD PRO 20 2HD PRO 20 10.859 10.613 2.123 161 H GLN 21 H GLN 21 9.344 11.622 -2.852 162 HA GLN 21 HA GLN 21 8.468 10.163 -4.789 163 1HB GLN 21 1HB GLN 21 11.104 11.642 -4.833 164 2HB GLN 21 2HB GLN 21 10.327 11.011 -6.292 165 1HG GLN 21 1HG GLN 21 8.389 12.405 -5.999 166 2HG GLN 21 2HG GLN 21 8.883 12.880 -4.373 167 1HE2 GLN 21 2HE2 GLN 21 11.106 14.554 -7.403 168 2HE2 GLN 21 1HE2 GLN 21 10.659 12.863 -7.592 169 HA PRO 22 HA PRO 22 11.002 6.419 -4.283 170 1HB PRO 22 1HB PRO 22 9.141 4.560 -4.026 171 2HB PRO 22 2HB PRO 22 9.298 5.854 -2.801 172 1HG PRO 22 1HG PRO 22 7.349 5.813 -5.130 173 2HG PRO 22 2HG PRO 22 6.986 6.020 -3.381 174 1HD PRO 22 1HD PRO 22 7.411 8.156 -5.081 175 2HD PRO 22 2HD PRO 22 7.838 8.186 -3.345 176 H ASN 23 H ASN 23 10.571 4.067 -5.565 177 HA ASN 23 HA ASN 23 9.745 4.520 -8.340 178 1HB ASN 23 1HB ASN 23 11.725 3.558 -9.290 179 2HB ASN 23 2HB ASN 23 12.251 4.889 -8.261 180 1HD2 ASN 23 2HD2 ASN 23 13.912 2.718 -5.944 181 2HD2 ASN 23 1HD2 ASN 23 13.603 4.376 -6.423 182 H GLU 24 H GLU 24 9.498 2.429 -9.424 183 HA GLU 24 HA GLU 24 7.632 0.817 -8.306 184 1HB GLU 24 1HB GLU 24 8.130 1.047 -10.694 185 2HB GLU 24 2HB GLU 24 9.678 0.271 -10.464 186 1HG GLU 24 1HG GLU 24 8.415 -1.390 -11.448 187 2HG GLU 24 2HG GLU 24 8.333 -1.861 -9.761 188 H ASP 25 H ASP 25 11.183 0.131 -8.105 189 HA ASP 25 HA ASP 25 10.740 -2.531 -6.980 190 1HB ASP 25 1HB ASP 25 12.854 -2.229 -8.067 191 2HB ASP 25 2HB ASP 25 13.209 -0.763 -7.136 192 H THR 26 H THR 26 11.956 0.594 -5.709 193 HA THR 26 HA THR 26 12.117 -0.259 -3.077 194 HB THR 26 HB THR 26 11.621 2.588 -4.017 195 HG1 THR 26 HG1 THR 26 13.771 0.781 -4.245 196 1HG2 THR 26 1HG2 THR 26 11.748 2.246 -1.515 197 2HG2 THR 26 2HG2 THR 26 13.336 1.505 -1.723 198 3HG2 THR 26 3HG2 THR 26 13.081 3.213 -2.156 199 H VAL 27 H VAL 27 9.245 1.007 -4.765 200 HA VAL 27 HA VAL 27 7.621 1.090 -2.349 201 HB VAL 27 HB VAL 27 6.706 0.814 -5.247 202 1HG1 VAL 27 1HG1 VAL 27 5.248 1.631 -2.685 203 2HG1 VAL 27 2HG1 VAL 27 4.605 1.858 -4.310 204 3HG1 VAL 27 3HG1 VAL 27 4.897 0.217 -3.709 205 1HG2 VAL 27 3HG2 VAL 27 6.976 3.315 -3.518 206 2HG2 VAL 27 1HG2 VAL 27 7.972 2.913 -4.925 207 3HG2 VAL 27 2HG2 VAL 27 6.268 3.239 -5.152 208 H THR 28 H THR 28 8.266 -1.425 -4.868 209 HA THR 28 HA THR 28 6.403 -3.339 -3.899 210 HB THR 28 HB THR 28 8.929 -3.556 -5.588 211 HG1 THR 28 HG1 THR 28 7.490 -2.527 -6.716 212 1HG2 THR 28 1HG2 THR 28 6.836 -5.675 -4.985 213 2HG2 THR 28 2HG2 THR 28 7.970 -5.731 -6.358 214 3HG2 THR 28 3HG2 THR 28 8.585 -5.768 -4.701 215 H GLN 29 H GLN 29 9.953 -2.927 -3.164 216 HA GLN 29 HA GLN 29 9.884 -5.140 -1.320 217 1HB GLN 29 1HB GLN 29 12.030 -4.268 -0.441 218 2HB GLN 29 2HB GLN 29 12.008 -4.661 -2.156 219 1HG GLN 29 1HG GLN 29 12.090 -2.409 -2.815 220 2HG GLN 29 2HG GLN 29 11.716 -1.806 -1.188 221 1HE2 GLN 29 2HE2 GLN 29 15.563 -2.351 -2.185 222 2HE2 GLN 29 1HE2 GLN 29 14.288 -2.363 -3.390 223 H ALA 30 H ALA 30 9.654 -1.542 -0.806 224 HA ALA 30 HA ALA 30 9.376 -1.621 1.969 225 1HB ALA 30 2HB ALA 30 8.063 0.304 0.010 226 2HB ALA 30 3HB ALA 30 8.223 0.555 1.760 227 3HB ALA 30 1HB ALA 30 9.674 0.476 0.746 228 H ALA 31 H ALA 31 6.901 -2.246 -0.519 229 HA ALA 31 HA ALA 31 4.678 -2.492 1.284 230 1HB ALA 31 1HB ALA 31 4.404 -2.260 -1.198 231 2HB ALA 31 2HB ALA 31 5.165 -3.833 -1.445 232 3HB ALA 31 3HB ALA 31 3.616 -3.738 -0.612 233 H SER 32 H SER 32 7.026 -4.984 -0.004 234 HA SER 32 HA SER 32 5.713 -7.154 1.391 235 1HB SER 32 1HB SER 32 7.627 -8.445 0.887 236 2HB SER 32 2HB SER 32 7.476 -7.325 -0.470 237 HG SER 32 HG SER 32 9.116 -6.007 0.716 238 H GLN 33 H GLN 33 7.991 -4.712 2.540 239 HA GLN 33 HA GLN 33 7.906 -5.895 5.228 240 1HB GLN 33 1HB GLN 33 9.263 -3.459 4.039 241 2HB GLN 33 2HB GLN 33 9.144 -3.710 5.783 242 1HG GLN 33 1HG GLN 33 11.280 -4.499 5.034 243 2HG GLN 33 2HG GLN 33 10.317 -5.835 5.664 244 1HE2 GLN 33 2HE2 GLN 33 10.346 -7.510 2.524 245 2HE2 GLN 33 1HE2 GLN 33 10.003 -7.673 4.260 246 H VAL 34 H VAL 34 5.995 -3.430 3.446 247 HA VAL 34 HA VAL 34 4.985 -2.096 5.663 248 HB VAL 34 HB VAL 34 4.522 -1.565 3.222 249 1HG1 VAL 34 3HG1 VAL 34 2.934 -3.711 2.784 250 2HG1 VAL 34 1HG1 VAL 34 1.767 -2.673 3.527 251 3HG1 VAL 34 2HG1 VAL 34 2.608 -2.116 2.083 252 1HG2 VAL 34 1HG2 VAL 34 2.478 -1.235 5.383 253 2HG2 VAL 34 2HG2 VAL 34 3.878 -0.190 4.959 254 3HG2 VAL 34 3HG2 VAL 34 2.496 -0.347 3.851 255 H CYS 35 H CYS 35 4.026 -5.113 4.192 256 HA CYS 35 HA CYS 35 1.911 -5.714 6.051 257 1HB CYS 35 1HB CYS 35 3.574 -7.634 4.394 258 2HB CYS 35 2HB CYS 35 2.015 -7.957 5.164 259 H ASP 36 H ASP 36 5.472 -6.620 5.942 260 HA ASP 36 HA ASP 36 5.286 -8.026 8.399 261 1HB ASP 36 1HB ASP 36 7.372 -8.006 7.008 262 2HB ASP 36 2HB ASP 36 7.786 -6.468 7.803 263 H LYS 37 H LYS 37 5.777 -4.519 7.961 264 HA LYS 37 HA LYS 37 6.188 -3.901 10.720 265 1HB LYS 37 1HB LYS 37 6.860 -2.619 8.601 266 2HB LYS 37 2HB LYS 37 5.205 -2.041 8.496 267 1HG LYS 37 1HG LYS 37 5.515 -0.827 10.662 268 2HG LYS 37 2HG LYS 37 7.159 -1.490 10.787 269 1HD LYS 37 1HD LYS 37 7.694 -0.421 8.584 270 2HD LYS 37 2HD LYS 37 6.104 0.369 8.613 271 1HE LYS 37 1HE LYS 37 6.875 1.520 10.711 272 2HE LYS 37 2HE LYS 37 8.478 0.833 10.461 273 1HZ LYS 37 3HZ LYS 37 8.517 2.076 8.305 274 2HZ LYS 37 1HZ LYS 37 7.101 2.812 8.670 275 3HZ LYS 37 2HZ LYS 37 8.395 3.079 9.578 276 H LEU 38 H LEU 38 3.287 -3.771 8.568 277 HA LEU 38 HA LEU 38 1.539 -3.144 10.861 278 1HB LEU 38 1HB LEU 38 0.923 -3.815 7.954 279 2HB LEU 38 2HB LEU 38 -0.289 -3.502 9.191 280 HG LEU 38 HG LEU 38 1.790 -1.493 8.231 281 1HD1 LEU 38 2HD1 LEU 38 -1.221 -1.727 7.779 282 2HD1 LEU 38 3HD1 LEU 38 -0.187 -0.387 7.242 283 3HD1 LEU 38 1HD1 LEU 38 0.068 -2.009 6.580 284 1HD2 LEU 38 3HD2 LEU 38 -0.484 -1.226 10.255 285 2HD2 LEU 38 1HD2 LEU 38 1.251 -0.967 10.547 286 3HD2 LEU 38 2HD2 LEU 38 0.360 0.151 9.517 287 H LYS 39 H LYS 39 2.291 -4.972 12.147 288 HA LYS 39 HA LYS 39 1.440 -7.598 11.100 289 1HB LYS 39 1HB LYS 39 2.083 -8.538 13.305 290 2HB LYS 39 2HB LYS 39 3.340 -7.979 12.238 291 1HG LYS 39 1HG LYS 39 2.416 -6.061 14.363 292 2HG LYS 39 2HG LYS 39 3.293 -7.497 14.904 293 1HD LYS 39 1HD LYS 39 4.335 -5.638 12.739 294 2HD LYS 39 2HD LYS 39 4.745 -5.449 14.441 295 1HE LYS 39 1HE LYS 39 6.028 -7.444 14.493 296 2HE LYS 39 2HE LYS 39 5.267 -8.087 13.038 297 1HZ LYS 39 2HZ LYS 39 6.406 -6.401 11.733 298 2HZ LYS 39 3HZ LYS 39 7.201 -5.847 13.077 299 3HZ LYS 39 1HZ LYS 39 7.451 -7.349 12.451 300 H ILE 40 H ILE 40 -0.128 -8.907 12.532 301 HA ILE 40 HA ILE 40 -2.254 -9.252 13.202 302 HB ILE 40 HB ILE 40 -2.490 -6.246 13.742 303 1HG1 ILE 40 1HG1 ILE 40 -2.473 -8.638 15.630 304 2HG1 ILE 40 2HG1 ILE 40 -1.045 -7.669 15.263 305 1HG2 ILE 40 1HG2 ILE 40 -4.606 -8.377 14.155 306 2HG2 ILE 40 2HG2 ILE 40 -4.688 -6.683 14.680 307 3HG2 ILE 40 3HG2 ILE 40 -4.664 -7.052 12.975 308 1HD1 ILE 40 3HD1 ILE 40 -2.204 -5.636 16.138 309 2HD1 ILE 40 1HD1 ILE 40 -3.559 -6.674 16.652 310 3HD1 ILE 40 2HD1 ILE 40 -1.951 -6.908 17.350 311 H LEU 41 H LEU 41 -2.106 -6.172 11.324 312 HA LEU 41 HA LEU 41 -4.158 -7.140 9.505 313 1HB LEU 41 1HB LEU 41 -3.726 -4.743 10.428 314 2HB LEU 41 2HB LEU 41 -2.455 -4.645 9.211 315 HG LEU 41 HG LEU 41 -4.204 -5.041 7.436 316 1HD1 LEU 41 2HD1 LEU 41 -6.132 -4.850 9.799 317 2HD1 LEU 41 3HD1 LEU 41 -6.607 -4.719 8.101 318 3HD1 LEU 41 1HD1 LEU 41 -5.944 -6.234 8.703 319 1HD2 LEU 41 2HD2 LEU 41 -3.475 -2.760 8.173 320 2HD2 LEU 41 3HD2 LEU 41 -5.114 -2.815 7.523 321 3HD2 LEU 41 1HD2 LEU 41 -4.870 -2.725 9.280 322 H ARG 42 H ARG 42 -1.104 -8.034 9.650 323 HA ARG 42 HA ARG 42 0.161 -7.855 7.130 324 1HB ARG 42 1HB ARG 42 1.149 -8.674 9.221 325 2HB ARG 42 2HB ARG 42 0.126 -10.114 9.181 326 1HG ARG 42 1HG ARG 42 1.251 -10.842 7.086 327 2HG ARG 42 2HG ARG 42 2.277 -9.400 7.134 328 1HD ARG 42 1HD ARG 42 2.166 -11.586 9.271 329 2HD ARG 42 2HD ARG 42 3.402 -11.429 8.015 330 HE ARG 42 HE ARG 42 3.038 -9.066 9.701 331 1HH1 ARG 42 2HH2 ARG 42 5.097 -12.025 9.204 332 2HH1 ARG 42 1HH2 ARG 42 6.483 -11.074 9.670 333 1HH2 ARG 42 2HH1 ARG 42 4.916 -8.234 10.710 334 2HH2 ARG 42 1HH1 ARG 42 6.339 -9.175 10.667 335 H GLY 43 H GLY 43 -2.376 -10.140 8.234 336 1HA GLY 43 1HA GLY 43 -2.373 -11.821 5.926 337 2HA GLY 43 2HA GLY 43 -3.729 -11.571 7.040 338 H LEU 44 H LEU 44 -4.322 -8.867 6.744 339 HA LEU 44 HA LEU 44 -5.854 -9.017 4.341 340 1HB LEU 44 1HB LEU 44 -6.487 -7.925 6.529 341 2HB LEU 44 2HB LEU 44 -5.448 -6.566 6.107 342 HG LEU 44 HG LEU 44 -7.560 -7.512 4.134 343 1HD1 LEU 44 2HD1 LEU 44 -8.131 -5.763 6.565 344 2HD1 LEU 44 3HD1 LEU 44 -9.235 -6.025 5.203 345 3HD1 LEU 44 1HD1 LEU 44 -8.787 -7.379 6.244 346 1HD2 LEU 44 2HD2 LEU 44 -5.992 -5.689 3.467 347 2HD2 LEU 44 3HD2 LEU 44 -7.663 -5.126 3.544 348 3HD2 LEU 44 1HD2 LEU 44 -6.529 -4.738 4.850 349 H CYS 45 H CYS 45 -3.056 -6.931 5.322 350 HA CYS 45 HA CYS 45 -2.522 -5.606 2.982 351 1HB CYS 45 1HB CYS 45 -1.396 -5.370 5.175 352 2HB CYS 45 2HB CYS 45 -0.613 -6.929 4.973 353 H LYS 46 H LYS 46 -1.211 -8.913 3.789 354 HA LYS 46 HA LYS 46 -0.083 -9.123 1.176 355 1HB LYS 46 1HB LYS 46 -0.532 -11.177 3.347 356 2HB LYS 46 2HB LYS 46 0.112 -11.615 1.742 357 1HG LYS 46 1HG LYS 46 1.834 -9.864 1.908 358 2HG LYS 46 2HG LYS 46 1.237 -9.390 3.499 359 1HD LYS 46 1HD LYS 46 2.132 -11.213 4.574 360 2HD LYS 46 2HD LYS 46 2.282 -12.167 3.071 361 1HE LYS 46 1HE LYS 46 3.907 -10.358 2.231 362 2HE LYS 46 2HE LYS 46 3.908 -9.689 3.858 363 1HZ LYS 46 2HZ LYS 46 4.856 -11.810 4.624 364 2HZ LYS 46 3HZ LYS 46 4.864 -12.383 3.078 365 3HZ LYS 46 1HZ LYS 46 5.792 -11.101 3.485 366 H LYS 47 H LYS 47 -3.371 -10.028 2.280 367 HA LYS 47 HA LYS 47 -4.056 -11.226 -0.240 368 1HB LYS 47 1HB LYS 47 -5.415 -11.501 1.798 369 2HB LYS 47 2HB LYS 47 -5.907 -9.810 1.743 370 1HG LYS 47 1HG LYS 47 -6.362 -11.573 -0.680 371 2HG LYS 47 2HG LYS 47 -7.410 -11.777 0.716 372 1HD LYS 47 1HD LYS 47 -8.451 -9.718 0.476 373 2HD LYS 47 2HD LYS 47 -7.075 -8.971 -0.310 374 1HE LYS 47 1HE LYS 47 -8.791 -9.186 -1.958 375 2HE LYS 47 2HE LYS 47 -7.470 -10.277 -2.370 376 1HZ LYS 47 1HZ LYS 47 -8.792 -12.102 -1.458 377 2HZ LYS 47 2HZ LYS 47 -10.024 -11.071 -1.092 378 3HZ LYS 47 3HZ LYS 47 -9.604 -11.327 -2.655 379 H ILE 48 H ILE 48 -4.051 -7.783 0.824 380 HA ILE 48 HA ILE 48 -5.288 -6.714 -1.523 381 HB ILE 48 HB ILE 48 -3.266 -5.488 0.388 382 1HG1 ILE 48 1HG1 ILE 48 -5.544 -6.045 1.299 383 2HG1 ILE 48 2HG1 ILE 48 -5.022 -4.375 1.456 384 1HG2 ILE 48 3HG2 ILE 48 -4.749 -4.088 -1.859 385 2HG2 ILE 48 1HG2 ILE 48 -3.880 -3.280 -0.537 386 3HG2 ILE 48 2HG2 ILE 48 -2.998 -4.288 -1.679 387 1HD1 ILE 48 2HD1 ILE 48 -6.965 -5.400 -0.651 388 2HD1 ILE 48 3HD1 ILE 48 -7.411 -4.620 0.881 389 3HD1 ILE 48 1HD1 ILE 48 -6.526 -3.697 -0.340 390 H MET 49 H MET 49 -1.762 -7.085 -0.709 391 HA MET 49 HA MET 49 -0.810 -6.377 -3.246 392 1HB MET 49 1HB MET 49 0.303 -8.081 -1.010 393 2HB MET 49 2HB MET 49 1.185 -7.860 -2.524 394 1HG MET 49 1HG MET 49 1.870 -6.232 -0.801 395 2HG MET 49 2HG MET 49 1.260 -5.482 -2.273 396 1HE MET 49 2HE MET 49 1.283 -3.182 -1.010 397 2HE MET 49 3HE MET 49 0.312 -2.811 0.433 398 3HE MET 49 1HE MET 49 1.722 -3.882 0.570 399 H ARG 50 H ARG 50 -1.753 -9.751 -2.170 400 HA ARG 50 HA ARG 50 -1.034 -10.997 -4.593 401 1HB ARG 50 1HB ARG 50 -1.916 -12.134 -2.532 402 2HB ARG 50 2HB ARG 50 -3.521 -11.568 -2.908 403 1HG ARG 50 1HG ARG 50 -3.289 -13.912 -3.573 404 2HG ARG 50 2HG ARG 50 -3.634 -12.881 -4.948 405 1HD ARG 50 1HD ARG 50 -1.065 -12.927 -5.396 406 2HD ARG 50 2HD ARG 50 -1.016 -14.255 -4.239 407 HE ARG 50 HE ARG 50 -2.528 -14.118 -6.813 408 1HH1 ARG 50 2HH2 ARG 50 -0.839 -16.188 -4.457 409 2HH1 ARG 50 1HH2 ARG 50 -0.964 -17.616 -5.411 410 1HH2 ARG 50 2HH1 ARG 50 -2.678 -16.035 -8.093 411 2HH2 ARG 50 1HH1 ARG 50 -2.035 -17.517 -7.524 412 H SER 51 H SER 51 -3.848 -9.158 -3.861 413 HA SER 51 HA SER 51 -5.174 -9.676 -6.443 414 1HB SER 51 1HB SER 51 -6.200 -9.574 -4.081 415 2HB SER 51 2HB SER 51 -6.040 -7.821 -4.192 416 HG SER 51 HG SER 51 -7.344 -8.001 -6.125 417 H PHE 52 H PHE 52 -3.124 -7.119 -5.148 418 HA PHE 52 HA PHE 52 -3.501 -5.459 -7.582 419 1HB PHE 52 1HB PHE 52 -3.769 -4.407 -4.718 420 2HB PHE 52 2HB PHE 52 -4.012 -3.479 -6.167 421 HD1 PHE 52 HD1 PHE 52 -6.131 -3.787 -7.546 422 HD2 PHE 52 HD2 PHE 52 -5.579 -5.445 -3.615 423 HE1 PHE 52 HE1 PHE 52 -8.587 -3.946 -7.267 424 HE2 PHE 52 HE2 PHE 52 -8.039 -5.600 -3.341 425 HZ PHE 52 HZ PHE 52 -9.543 -4.847 -5.177 426 H LEU 53 H LEU 53 -1.054 -7.009 -6.553 427 HA LEU 53 HA LEU 53 0.596 -5.441 -5.058 428 1HB LEU 53 1HB LEU 53 0.946 -7.844 -6.001 429 2HB LEU 53 2HB LEU 53 1.690 -7.084 -7.368 430 HG LEU 53 HG LEU 53 2.535 -6.785 -4.451 431 1HD1 LEU 53 3HD1 LEU 53 2.857 -9.051 -5.339 432 2HD1 LEU 53 1HD1 LEU 53 3.787 -8.391 -6.706 433 3HD1 LEU 53 2HD1 LEU 53 4.407 -8.247 -5.050 434 1HD2 LEU 53 3HD2 LEU 53 3.888 -5.711 -6.956 435 2HD2 LEU 53 1HD2 LEU 53 3.349 -4.804 -5.513 436 3HD2 LEU 53 2HD2 LEU 53 4.692 -5.906 -5.391 437 H ARG 54 H ARG 54 0.942 -5.501 -8.661 438 HA ARG 54 HA ARG 54 2.753 -3.265 -8.649 439 1HB ARG 54 1HB ARG 54 2.324 -5.085 -10.463 440 2HB ARG 54 2HB ARG 54 1.011 -4.058 -11.014 441 1HG ARG 54 1HG ARG 54 3.982 -3.418 -10.960 442 2HG ARG 54 2HG ARG 54 3.004 -3.808 -12.362 443 1HD ARG 54 1HD ARG 54 1.678 -1.614 -11.729 444 2HD ARG 54 2HD ARG 54 3.148 -1.240 -10.806 445 HE ARG 54 HE ARG 54 3.348 -2.004 -13.664 446 1HH1 ARG 54 2HH2 ARG 54 4.567 0.118 -11.191 447 2HH1 ARG 54 1HH2 ARG 54 4.918 1.444 -12.177 448 1HH2 ARG 54 2HH1 ARG 54 4.322 -0.499 -15.101 449 2HH2 ARG 54 1HH1 ARG 54 5.052 0.933 -14.486 450 H ARG 55 H ARG 55 -0.754 -3.450 -8.402 451 HA ARG 55 HA ARG 55 -1.307 -0.817 -9.346 452 1HB ARG 55 1HB ARG 55 -2.829 -2.921 -7.907 453 2HB ARG 55 2HB ARG 55 -3.415 -1.267 -7.879 454 1HG ARG 55 1HG ARG 55 -3.492 -1.214 -10.335 455 2HG ARG 55 2HG ARG 55 -2.719 -2.817 -10.415 456 1HD ARG 55 1HD ARG 55 -4.558 -3.796 -9.192 457 2HD ARG 55 2HD ARG 55 -5.356 -2.201 -9.093 458 HE ARG 55 HE ARG 55 -5.301 -2.309 -11.654 459 1HH1 ARG 55 2HH2 ARG 55 -5.891 -5.207 -9.619 460 2HH1 ARG 55 1HH2 ARG 55 -6.876 -5.976 -10.790 461 1HH2 ARG 55 2HH1 ARG 55 -6.646 -3.370 -13.193 462 2HH2 ARG 55 1HH1 ARG 55 -7.313 -4.916 -12.869 463 H ILE 56 H ILE 56 -0.679 -2.278 -6.050 464 HA ILE 56 HA ILE 56 -1.035 0.225 -4.711 465 HB ILE 56 HB ILE 56 0.657 -2.133 -3.822 466 1HG1 ILE 56 1HG1 ILE 56 -1.413 -3.139 -3.845 467 2HG1 ILE 56 2HG1 ILE 56 -1.445 -2.426 -2.263 468 1HG2 ILE 56 2HG2 ILE 56 -0.452 0.277 -2.334 469 2HG2 ILE 56 3HG2 ILE 56 0.244 -1.147 -1.532 470 3HG2 ILE 56 1HG2 ILE 56 1.248 -0.148 -2.576 471 1HD1 ILE 56 1HD1 ILE 56 -2.784 -0.487 -3.246 472 2HD1 ILE 56 2HD1 ILE 56 -2.907 -1.435 -4.744 473 3HD1 ILE 56 3HD1 ILE 56 -3.592 -2.070 -3.252 474 H SER 57 H SER 57 1.686 -1.139 -6.553 475 HA SER 57 HA SER 57 3.546 0.840 -5.728 476 1HB SER 57 1HB SER 57 4.058 -1.350 -6.911 477 2HB SER 57 2HB SER 57 3.561 -0.545 -8.418 478 HG SER 57 HG SER 57 5.554 0.017 -8.403 479 H TRP 58 H TRP 58 1.524 0.698 -8.754 480 HA TRP 58 HA TRP 58 1.963 3.272 -9.735 481 1HB TRP 58 1HB TRP 58 0.574 2.209 -11.161 482 2HB TRP 58 2HB TRP 58 -0.195 1.276 -9.905 483 HD1 TRP 58 HD1 TRP 58 -0.470 5.029 -10.988 484 HE1 TRP 58 HE1 TRP 58 -2.908 5.655 -11.121 485 HE3 TRP 58 HE3 TRP 58 -2.480 0.777 -9.086 486 HZ2 TRP 58 HZ2 TRP 58 -5.543 4.262 -10.766 487 HZ3 TRP 58 HZ3 TRP 58 -4.885 0.453 -8.916 488 HH2 TRP 58 HH2 TRP 58 -6.438 2.166 -9.703 489 H ASP 59 H ASP 59 -0.378 2.338 -7.266 490 HA ASP 59 HA ASP 59 -1.563 4.818 -6.775 491 1HB ASP 59 1HB ASP 59 -1.159 2.354 -5.048 492 2HB ASP 59 2HB ASP 59 -2.000 3.754 -4.456 493 HD2 ASP 59 HD2 ASP 59 -4.375 1.606 -6.439 494 H ILE 60 H ILE 60 1.225 3.460 -4.888 495 HA ILE 60 HA ILE 60 1.668 5.967 -3.531 496 HB ILE 60 HB ILE 60 3.099 3.355 -3.729 497 1HG1 ILE 60 1HG1 ILE 60 3.013 3.489 -1.253 498 2HG1 ILE 60 2HG1 ILE 60 2.233 5.059 -1.354 499 1HG2 ILE 60 2HG2 ILE 60 4.376 5.829 -2.500 500 2HG2 ILE 60 3HG2 ILE 60 4.939 4.150 -2.321 501 3HG2 ILE 60 1HG2 ILE 60 4.969 4.915 -3.906 502 1HD1 ILE 60 2HD1 ILE 60 1.035 2.477 -2.422 503 2HD1 ILE 60 3HD1 ILE 60 0.723 3.159 -0.821 504 3HD1 ILE 60 1HD1 ILE 60 0.220 4.059 -2.268 505 H LEU 61 H LEU 61 3.093 4.577 -6.529 506 HA LEU 61 HA LEU 61 5.130 6.496 -6.864 507 1HB LEU 61 1HB LEU 61 3.503 4.935 -8.907 508 2HB LEU 61 2HB LEU 61 4.861 5.953 -9.362 509 HG LEU 61 HG LEU 61 5.177 3.659 -7.391 510 1HD1 LEU 61 3HD1 LEU 61 5.589 3.656 -10.417 511 2HD1 LEU 61 1HD1 LEU 61 6.031 2.343 -9.300 512 3HD1 LEU 61 2HD1 LEU 61 4.333 2.758 -9.527 513 1HD2 LEU 61 1HD2 LEU 61 6.999 5.394 -7.442 514 2HD2 LEU 61 2HD2 LEU 61 7.491 3.774 -7.918 515 3HD2 LEU 61 3HD2 LEU 61 7.246 5.024 -9.159 516 H THR 62 H THR 62 1.714 6.655 -7.858 517 HA THR 62 HA THR 62 2.055 9.324 -9.052 518 HB THR 62 HB THR 62 -0.464 9.177 -9.282 519 HG1 THR 62 HG1 THR 62 -0.031 6.489 -8.439 520 1HG2 THR 62 1HG2 THR 62 1.069 8.568 -11.104 521 2HG2 THR 62 2HG2 THR 62 1.152 6.900 -10.503 522 3HG2 THR 62 3HG2 THR 62 -0.386 7.560 -11.112 523 H GLY 63 H GLY 63 2.433 8.545 -6.004 524 1HA GLY 63 1HA GLY 63 1.913 9.237 -3.921 525 2HA GLY 63 2HA GLY 63 2.045 10.850 -4.656 526 H LYS 64 H LYS 64 -0.406 8.225 -5.099 527 HA LYS 64 HA LYS 64 -2.438 10.327 -4.969 528 1HB LYS 64 1HB LYS 64 -2.355 8.529 -6.689 529 2HB LYS 64 2HB LYS 64 -2.650 7.311 -5.447 530 1HG LYS 64 1HG LYS 64 -4.899 8.183 -5.071 531 2HG LYS 64 2HG LYS 64 -4.560 9.618 -6.046 532 1HD LYS 64 1HD LYS 64 -5.943 7.939 -7.261 533 2HD LYS 64 2HD LYS 64 -4.420 8.315 -8.087 534 1HE LYS 64 1HE LYS 64 -3.391 6.246 -7.252 535 2HE LYS 64 2HE LYS 64 -4.826 5.901 -6.274 536 1HZ LYS 64 3HZ LYS 64 -6.067 5.746 -8.439 537 2HZ LYS 64 1HZ LYS 64 -4.599 5.726 -9.188 538 3HZ LYS 64 2HZ LYS 64 -5.047 4.584 -8.094 539 H LYS 65 H LYS 65 -4.023 10.415 -3.380 540 HA LYS 65 HA LYS 65 -2.923 9.644 -0.814 541 1HB LYS 65 1HB LYS 65 -5.406 11.213 -1.557 542 2HB LYS 65 2HB LYS 65 -4.882 11.028 0.106 543 1HG LYS 65 1HG LYS 65 -3.079 12.217 -2.079 544 2HG LYS 65 2HG LYS 65 -4.183 13.155 -1.113 545 1HD LYS 65 1HD LYS 65 -1.964 13.416 -0.266 546 2HD LYS 65 2HD LYS 65 -2.998 12.659 0.923 547 1HE LYS 65 1HE LYS 65 -0.816 11.714 1.098 548 2HE LYS 65 2HE LYS 65 -1.886 10.468 0.530 549 1HZ LYS 65 2HZ LYS 65 -0.898 10.845 -1.738 550 2HZ LYS 65 3HZ LYS 65 0.142 11.920 -1.055 551 3HZ LYS 65 1HZ LYS 65 0.135 10.364 -0.543 552 HA PRO 66 HA PRO 66 -4.641 5.899 0.139 553 1HB PRO 66 1HB PRO 66 -5.510 6.072 2.765 554 2HB PRO 66 2HB PRO 66 -3.793 5.983 2.271 555 1HG PRO 66 1HG PRO 66 -5.437 8.478 2.845 556 2HG PRO 66 2HG PRO 66 -3.825 8.072 3.485 557 1HD PRO 66 1HD PRO 66 -3.981 9.661 1.383 558 2HD PRO 66 2HD PRO 66 -2.821 8.293 1.290 559 H GLN 67 H GLN 67 -7.003 8.243 1.589 560 HA GLN 67 HA GLN 67 -9.145 6.413 1.406 561 1HB GLN 67 1HB GLN 67 -8.915 8.517 2.810 562 2HB GLN 67 2HB GLN 67 -9.397 9.449 1.387 563 1HG GLN 67 1HG GLN 67 -11.576 8.397 1.350 564 2HG GLN 67 2HG GLN 67 -11.067 7.144 2.491 565 1HE2 GLN 67 2HE2 GLN 67 -12.710 10.407 4.060 566 2HE2 GLN 67 1HE2 GLN 67 -12.915 9.944 2.383 567 H ALA 68 H ALA 68 -7.661 8.401 -1.065 568 HA ALA 68 HA ALA 68 -9.905 8.155 -2.930 569 1HB ALA 68 1HB ALA 68 -8.393 10.112 -3.073 570 2HB ALA 68 2HB ALA 68 -7.007 9.033 -3.381 571 3HB ALA 68 3HB ALA 68 -8.336 9.133 -4.549 572 H ILE 69 H ILE 69 -6.606 6.646 -2.428 573 HA ILE 69 HA ILE 69 -6.705 4.841 -4.578 574 HB ILE 69 HB ILE 69 -5.411 4.647 -1.841 575 1HG1 ILE 69 1HG1 ILE 69 -4.100 4.884 -4.565 576 2HG1 ILE 69 2HG1 ILE 69 -4.688 6.309 -3.746 577 1HG2 ILE 69 2HG2 ILE 69 -5.283 2.659 -4.145 578 2HG2 ILE 69 3HG2 ILE 69 -4.038 2.733 -2.888 579 3HG2 ILE 69 1HG2 ILE 69 -5.695 2.330 -2.454 580 1HD1 ILE 69 3HD1 ILE 69 -2.713 4.409 -2.423 581 2HD1 ILE 69 1HD1 ILE 69 -2.252 5.825 -3.371 582 3HD1 ILE 69 2HD1 ILE 69 -3.219 6.021 -1.895 583 H CYS 70 H CYS 70 -8.063 4.332 -1.291 584 HA CYS 70 HA CYS 70 -8.996 1.632 -1.805 585 1HB CYS 70 1HB CYS 70 -10.221 3.822 -0.018 586 2HB CYS 70 2HB CYS 70 -10.357 2.093 0.231 587 H VAL 71 H VAL 71 -10.674 4.862 -2.475 588 HA VAL 71 HA VAL 71 -13.034 3.397 -3.342 589 HB VAL 71 HB VAL 71 -12.207 6.297 -3.501 590 1HG1 VAL 71 1HG1 VAL 71 -13.788 5.780 -5.387 591 2HG1 VAL 71 2HG1 VAL 71 -14.962 5.188 -4.199 592 3HG1 VAL 71 3HG1 VAL 71 -14.459 6.878 -4.178 593 1HG2 VAL 71 1HG2 VAL 71 -12.744 5.428 -1.226 594 2HG2 VAL 71 2HG2 VAL 71 -13.989 6.550 -1.778 595 3HG2 VAL 71 3HG2 VAL 71 -14.296 4.804 -1.833 596 H ASP 72 H ASP 72 -10.249 4.878 -4.946 597 HA ASP 72 HA ASP 72 -10.772 4.606 -7.625 598 1HB ASP 72 1HB ASP 72 -8.962 5.835 -6.750 599 2HB ASP 72 2HB ASP 72 -8.319 4.461 -5.892 600 H ILE 73 H ILE 73 -9.106 2.051 -5.652 601 HA ILE 73 HA ILE 73 -9.673 0.172 -7.900 602 HB ILE 73 HB ILE 73 -8.253 -1.434 -6.465 603 1HG1 ILE 73 1HG1 ILE 73 -7.120 1.215 -5.497 604 2HG1 ILE 73 2HG1 ILE 73 -8.219 0.228 -4.501 605 1HG2 ILE 73 1HG2 ILE 73 -7.687 -0.509 -8.696 606 2HG2 ILE 73 2HG2 ILE 73 -6.988 0.910 -7.891 607 3HG2 ILE 73 3HG2 ILE 73 -6.280 -0.710 -7.648 608 1HD1 ILE 73 3HD1 ILE 73 -6.631 -1.661 -4.777 609 2HD1 ILE 73 1HD1 ILE 73 -5.514 -0.528 -5.598 610 3HD1 ILE 73 2HD1 ILE 73 -5.979 -0.235 -3.902 611 H LYS 74 H LYS 74 -11.259 1.139 -5.329 612 HA LYS 74 HA LYS 74 -13.314 0.701 -4.616 613 1HB LYS 74 1HB LYS 74 -13.612 -0.113 -6.975 614 2HB LYS 74 2HB LYS 74 -13.304 -1.747 -6.416 615 1HG LYS 74 1HG LYS 74 -15.259 -0.998 -4.682 616 2HG LYS 74 2HG LYS 74 -15.636 0.047 -6.055 617 1HD LYS 74 1HD LYS 74 -16.968 -1.729 -6.555 618 2HD LYS 74 2HD LYS 74 -15.520 -2.187 -7.452 619 1HE LYS 74 1HE LYS 74 -16.400 -3.133 -4.681 620 2HE LYS 74 2HE LYS 74 -16.440 -4.092 -6.171 621 1HZ LYS 74 2HZ LYS 74 -13.991 -3.894 -6.213 622 2HZ LYS 74 3HZ LYS 74 -14.009 -3.085 -4.801 623 3HZ LYS 74 1HZ LYS 74 -14.512 -4.640 -4.826 624 H ILE 75 H ILE 75 -12.469 0.505 -2.577 625 HA ILE 75 HA ILE 75 -12.233 -2.244 -1.368 626 HB ILE 75 HB ILE 75 -10.626 0.277 -0.725 627 1HG1 ILE 75 1HG1 ILE 75 -9.924 -0.366 -3.013 628 2HG1 ILE 75 2HG1 ILE 75 -8.662 -0.425 -1.806 629 1HG2 ILE 75 2HG2 ILE 75 -10.415 -2.603 0.143 630 2HG2 ILE 75 3HG2 ILE 75 -9.005 -1.543 0.211 631 3HG2 ILE 75 1HG2 ILE 75 -10.454 -1.117 1.127 632 1HD1 ILE 75 3HD1 ILE 75 -10.129 -2.818 -2.812 633 2HD1 ILE 75 1HD1 ILE 75 -8.568 -2.178 -3.428 634 3HD1 ILE 75 2HD1 ILE 75 -8.670 -2.765 -1.749 635 H CYS 76 H CYS 76 -13.414 1.129 -1.035 636 HA CYS 76 HA CYS 76 -13.476 1.034 1.887 637 1HB CYS 76 1HB CYS 76 -12.599 3.020 0.609 638 2HB CYS 76 2HB CYS 76 -14.182 3.248 -0.078 639 H LYS 77 H LYS 77 -15.827 2.526 -0.261 640 HA LYS 77 HA LYS 77 -17.886 0.742 -0.011 641 1HB LYS 77 1HB LYS 77 -18.016 1.829 2.405 642 2HB LYS 77 2HB LYS 77 -18.609 3.252 1.583 643 1HG LYS 77 1HG LYS 77 -19.853 0.526 1.888 644 2HG LYS 77 2HG LYS 77 -20.534 2.077 2.328 645 1HD LYS 77 1HD LYS 77 -20.249 1.009 -0.513 646 2HD LYS 77 2HD LYS 77 -21.692 0.879 0.468 647 1HE LYS 77 1HE LYS 77 -22.122 3.245 0.403 648 2HE LYS 77 2HE LYS 77 -20.517 3.580 -0.237 649 1HZ LYS 77 2HZ LYS 77 -21.260 2.098 -2.180 650 2HZ LYS 77 3HZ LYS 77 -22.796 2.496 -1.732 651 3HZ LYS 77 1HZ LYS 77 -21.624 3.594 -2.188 652 H GLU 78 H GLU 78 -17.282 1.152 -2.080 653 HA GLU 78 HA GLU 78 -17.941 3.638 -3.420 654 1HB GLU 78 1HB GLU 78 -17.426 0.789 -4.433 655 2HB GLU 78 2HB GLU 78 -17.479 2.259 -5.417 656 1HG GLU 78 1HG GLU 78 -15.148 1.850 -5.020 657 2HG GLU 78 2HG GLU 78 -15.611 3.200 -4.028 No H/Q in entry = 657 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -17.028 -0.329 3.932 2 2H GLY 1 2H GLY 1 -16.004 -1.199 3.018 3 3H GLY 1 3H GLY 1 -17.612 -1.540 2.975 4 1HA GLY 1 1HA GLY 1 -17.600 -2.254 5.276 5 2HA GLY 1 2HA GLY 1 -16.441 -3.189 4.303 6 H TYR 2 H TYR 2 -15.697 -3.371 6.882 7 HA TYR 2 HA TYR 2 -14.175 -1.346 8.044 8 1HB TYR 2 1HB TYR 2 -14.497 -3.427 9.234 9 2HB TYR 2 2HB TYR 2 -13.660 -4.341 7.976 10 HD1 TYR 2 HD2 TYR 2 -12.905 -1.249 10.053 11 HD2 TYR 2 HD1 TYR 2 -11.500 -5.090 8.653 12 HE1 TYR 2 HE2 TYR 2 -10.659 -0.737 10.892 13 HE2 TYR 2 HE1 TYR 2 -9.241 -4.576 9.532 14 HH TYR 2 HH TYR 2 -8.467 -1.210 10.572 15 H PHE 3 H PHE 3 -13.332 -3.489 5.366 16 HA PHE 3 HA PHE 3 -10.823 -3.085 4.709 17 1HB PHE 3 1HB PHE 3 -13.281 -2.991 2.975 18 2HB PHE 3 2HB PHE 3 -11.694 -2.794 2.287 19 HD1 PHE 3 HD1 PHE 3 -9.871 -4.497 2.820 20 HD2 PHE 3 HD2 PHE 3 -14.108 -5.270 3.127 21 HE1 PHE 3 HE1 PHE 3 -9.455 -6.916 2.467 22 HE2 PHE 3 HE2 PHE 3 -13.680 -7.687 2.783 23 HZ PHE 3 HZ PHE 3 -11.369 -8.506 2.434 24 H CYS 4 H CYS 4 -13.123 -0.304 4.468 25 HA CYS 4 HA CYS 4 -11.305 1.304 2.930 26 1HB CYS 4 1HB CYS 4 -13.839 1.753 3.466 27 2HB CYS 4 2HB CYS 4 -13.259 2.435 4.972 28 H GLU 5 H GLU 5 -11.849 0.965 6.459 29 HA GLU 5 HA GLU 5 -9.904 2.903 7.334 30 1HB GLU 5 1HB GLU 5 -11.912 1.870 8.596 31 2HB GLU 5 2HB GLU 5 -10.950 0.418 8.771 32 1HG GLU 5 1HG GLU 5 -10.392 3.175 9.898 33 2HG GLU 5 2HG GLU 5 -10.882 1.747 10.798 34 H SER 6 H SER 6 -9.971 -0.685 6.923 35 HA SER 6 HA SER 6 -7.393 -1.311 7.726 36 1HB SER 6 1HB SER 6 -8.566 -2.593 5.228 37 2HB SER 6 2HB SER 6 -7.612 -3.328 6.509 38 HG SER 6 HG SER 6 -9.545 -2.870 7.872 39 H CYS 7 H CYS 7 -8.467 -0.600 4.400 40 HA CYS 7 HA CYS 7 -6.011 -0.609 3.053 41 1HB CYS 7 1HB CYS 7 -8.087 -0.794 1.927 42 2HB CYS 7 2HB CYS 7 -8.681 0.718 2.593 43 H ARG 8 H ARG 8 -7.788 2.157 4.588 44 HA ARG 8 HA ARG 8 -5.908 4.104 3.773 45 1HB ARG 8 1HB ARG 8 -8.204 4.554 4.841 46 2HB ARG 8 2HB ARG 8 -7.451 4.182 6.403 47 1HG ARG 8 1HG ARG 8 -5.640 5.948 5.619 48 2HG ARG 8 2HG ARG 8 -6.877 6.466 4.479 49 1HD ARG 8 1HD ARG 8 -8.361 7.080 6.300 50 2HD ARG 8 2HD ARG 8 -7.325 6.282 7.482 51 HE ARG 8 HE ARG 8 -5.506 7.884 6.895 52 1HH1 ARG 8 2HH2 ARG 8 -8.846 9.074 6.321 53 2HH1 ARG 8 1HH2 ARG 8 -8.434 10.677 6.789 54 1HH2 ARG 8 2HH1 ARG 8 -4.958 9.914 7.221 55 2HH2 ARG 8 1HH1 ARG 8 -6.108 11.215 7.279 56 H LYS 9 H LYS 9 -6.012 2.100 6.822 57 HA LYS 9 HA LYS 9 -3.653 3.097 7.962 58 1HB LYS 9 1HB LYS 9 -5.548 1.463 8.819 59 2HB LYS 9 2HB LYS 9 -4.593 0.204 8.070 60 1HG LYS 9 1HG LYS 9 -4.017 0.180 10.305 61 2HG LYS 9 2HG LYS 9 -2.635 0.864 9.442 62 1HD LYS 9 1HD LYS 9 -3.138 1.986 11.636 63 2HD LYS 9 2HD LYS 9 -3.123 3.081 10.260 64 1HE LYS 9 1HE LYS 9 -4.992 3.586 11.808 65 2HE LYS 9 2HE LYS 9 -5.547 3.170 10.191 66 1HZ LYS 9 3HZ LYS 9 -6.062 0.931 11.017 67 2HZ LYS 9 1HZ LYS 9 -5.790 1.469 12.586 68 3HZ LYS 9 2HZ LYS 9 -6.929 2.108 11.554 69 H ILE 10 H ILE 10 -4.143 0.492 5.564 70 HA ILE 10 HA ILE 10 -1.477 -0.479 5.625 71 HB ILE 10 HB ILE 10 -3.333 -0.646 3.193 72 1HG1 ILE 10 1HG1 ILE 10 -3.703 -1.809 5.854 73 2HG1 ILE 10 2HG1 ILE 10 -4.782 -1.722 4.454 74 1HG2 ILE 10 2HG2 ILE 10 -1.078 -2.368 4.253 75 2HG2 ILE 10 3HG2 ILE 10 -2.047 -2.750 2.800 76 3HG2 ILE 10 1HG2 ILE 10 -1.000 -1.331 2.822 77 1HD1 ILE 10 3HD1 ILE 10 -3.943 -3.825 3.608 78 2HD1 ILE 10 1HD1 ILE 10 -2.847 -3.906 5.019 79 3HD1 ILE 10 2HD1 ILE 10 -4.584 -3.948 5.259 80 H ILE 11 H ILE 11 -3.066 1.755 3.231 81 HA ILE 11 HA ILE 11 -0.566 2.266 1.915 82 HB ILE 11 HB ILE 11 -3.158 3.830 1.889 83 1HG1 ILE 11 1HG1 ILE 11 -3.617 1.886 0.641 84 2HG1 ILE 11 2HG1 ILE 11 -3.225 3.113 -0.541 85 1HG2 ILE 11 3HG2 ILE 11 -0.596 4.274 0.285 86 2HG2 ILE 11 1HG2 ILE 11 -2.143 5.049 -0.072 87 3HG2 ILE 11 2HG2 ILE 11 -1.316 5.406 1.425 88 1HD1 ILE 11 2HD1 ILE 11 -0.970 2.145 -0.814 89 2HD1 ILE 11 3HD1 ILE 11 -1.388 0.863 0.351 90 3HD1 ILE 11 1HD1 ILE 11 -2.273 1.006 -1.178 91 H GLN 12 H GLN 12 -2.248 4.039 4.626 92 HA GLN 12 HA GLN 12 -0.506 6.237 4.632 93 1HB GLN 12 1HB GLN 12 -1.868 4.840 6.961 94 2HB GLN 12 2HB GLN 12 -0.981 6.348 7.146 95 1HG GLN 12 1HG GLN 12 -3.110 6.299 5.032 96 2HG GLN 12 2HG GLN 12 -3.622 6.204 6.708 97 1HE2 GLN 12 2HE2 GLN 12 -1.627 9.709 5.760 98 2HE2 GLN 12 1HE2 GLN 12 -1.125 8.315 4.881 99 H LYS 13 H LYS 13 -0.019 3.073 6.393 100 HA LYS 13 HA LYS 13 2.514 4.026 7.389 101 1HB LYS 13 1HB LYS 13 1.118 2.162 8.398 102 2HB LYS 13 2HB LYS 13 1.622 1.134 7.058 103 1HG LYS 13 1HG LYS 13 2.919 0.666 9.054 104 2HG LYS 13 2HG LYS 13 3.977 1.276 7.803 105 1HD LYS 13 1HD LYS 13 2.925 3.373 9.669 106 2HD LYS 13 2HD LYS 13 3.905 2.119 10.440 107 1HE LYS 13 1HE LYS 13 5.746 2.532 8.825 108 2HE LYS 13 2HE LYS 13 4.781 3.782 8.042 109 1HZ LYS 13 2HZ LYS 13 4.868 5.105 10.003 110 2HZ LYS 13 3HZ LYS 13 5.837 3.988 10.815 111 3HZ LYS 13 1HZ LYS 13 6.255 4.825 9.431 112 H LEU 14 H LEU 14 1.608 2.594 4.284 113 HA LEU 14 HA LEU 14 4.348 1.872 3.556 114 1HB LEU 14 1HB LEU 14 2.393 0.762 2.534 115 2HB LEU 14 2HB LEU 14 1.820 2.297 1.904 116 HG LEU 14 HG LEU 14 3.691 2.495 0.376 117 1HD1 LEU 14 1HD1 LEU 14 4.748 -0.015 1.736 118 2HD1 LEU 14 2HD1 LEU 14 5.301 0.532 0.130 119 3HD1 LEU 14 3HD1 LEU 14 5.567 1.537 1.544 120 1HD2 LEU 14 3HD2 LEU 14 1.704 1.195 -0.278 121 2HD2 LEU 14 1HD2 LEU 14 3.162 0.581 -1.057 122 3HD2 LEU 14 2HD2 LEU 14 2.461 -0.294 0.328 123 H GLU 15 H GLU 15 2.166 4.600 2.999 124 HA GLU 15 HA GLU 15 3.740 6.135 1.232 125 1HB GLU 15 1HB GLU 15 1.266 6.233 1.662 126 2HB GLU 15 2HB GLU 15 1.566 6.683 3.330 127 1HG GLU 15 1HG GLU 15 2.410 8.895 2.530 128 2HG GLU 15 2HG GLU 15 1.971 8.404 0.884 129 H ASP 16 H ASP 16 3.297 6.307 4.770 130 HA ASP 16 HA ASP 16 5.326 8.142 5.456 131 1HB ASP 16 1HB ASP 16 3.585 7.469 6.972 132 2HB ASP 16 2HB ASP 16 3.919 5.764 6.714 133 H MET 17 H MET 17 5.526 4.603 4.989 134 HA MET 17 HA MET 17 8.250 4.405 5.894 135 1HB MET 17 1HB MET 17 6.408 2.584 4.335 136 2HB MET 17 2HB MET 17 8.091 2.191 4.448 137 1HG MET 17 1HG MET 17 6.723 2.849 7.017 138 2HG MET 17 2HG MET 17 6.156 1.414 6.199 139 1HE MET 17 2HE MET 17 8.326 -0.275 5.098 140 2HE MET 17 3HE MET 17 9.641 0.929 5.110 141 3HE MET 17 1HE MET 17 9.807 -0.527 6.076 142 H VAL 18 H VAL 18 6.869 4.427 2.500 143 HA VAL 18 HA VAL 18 9.547 3.961 1.484 144 HB VAL 18 HB VAL 18 7.303 3.299 0.424 145 1HG1 VAL 18 3HG1 VAL 18 6.248 5.519 0.340 146 2HG1 VAL 18 1HG1 VAL 18 7.473 6.029 -0.845 147 3HG1 VAL 18 2HG1 VAL 18 6.356 4.719 -1.248 148 1HG2 VAL 18 1HG2 VAL 18 9.657 4.317 -1.138 149 2HG2 VAL 18 2HG2 VAL 18 9.330 2.687 -0.532 150 3HG2 VAL 18 3HG2 VAL 18 8.331 3.337 -1.838 151 H GLY 19 H GLY 19 7.500 6.784 2.178 152 1HA GLY 19 1HA GLY 19 8.140 8.898 2.606 153 2HA GLY 19 2HA GLY 19 9.827 8.446 2.328 154 HA PRO 20 HA PRO 20 8.657 11.133 -1.222 155 1HB PRO 20 1HB PRO 20 11.113 12.115 -1.869 156 2HB PRO 20 2HB PRO 20 10.266 12.623 -0.376 157 1HG PRO 20 1HG PRO 20 12.391 10.471 -0.682 158 2HG PRO 20 2HG PRO 20 12.351 11.821 0.500 159 1HD PRO 20 1HD PRO 20 11.450 9.295 1.070 160 2HD PRO 20 2HD PRO 20 10.686 10.768 1.779 161 H GLN 21 H GLN 21 9.405 11.311 -3.347 162 HA GLN 21 HA GLN 21 9.018 9.930 -5.363 163 1HB GLN 21 1HB GLN 21 11.863 10.939 -5.013 164 2HB GLN 21 2HB GLN 21 11.146 10.432 -6.541 165 1HG GLN 21 1HG GLN 21 10.946 12.749 -6.589 166 2HG GLN 21 2HG GLN 21 9.331 12.186 -6.181 167 1HE2 GLN 21 2HE2 GLN 21 11.431 14.488 -3.519 168 2HE2 GLN 21 1HE2 GLN 21 12.229 13.884 -4.962 169 HA PRO 22 HA PRO 22 10.912 5.905 -4.200 170 1HB PRO 22 1HB PRO 22 8.784 4.290 -4.166 171 2HB PRO 22 2HB PRO 22 9.065 5.507 -2.879 172 1HG PRO 22 1HG PRO 22 7.276 5.802 -5.296 173 2HG PRO 22 2HG PRO 22 6.869 6.047 -3.555 174 1HD PRO 22 1HD PRO 22 7.640 8.122 -5.188 175 2HD PRO 22 2HD PRO 22 8.039 8.062 -3.442 176 H ASN 23 H ASN 23 10.536 3.665 -5.534 177 HA ASN 23 HA ASN 23 9.803 4.132 -8.335 178 1HB ASN 23 1HB ASN 23 11.789 3.093 -9.214 179 2HB ASN 23 2HB ASN 23 12.293 4.461 -8.222 180 1HD2 ASN 23 2HD2 ASN 23 13.907 2.397 -5.805 181 2HD2 ASN 23 1HD2 ASN 23 13.652 4.025 -6.401 182 H GLU 24 H GLU 24 9.577 2.066 -9.416 183 HA GLU 24 HA GLU 24 7.644 0.457 -8.426 184 1HB GLU 24 1HB GLU 24 8.372 0.800 -10.767 185 2HB GLU 24 2HB GLU 24 9.850 -0.063 -10.441 186 1HG GLU 24 1HG GLU 24 8.611 -1.655 -11.573 187 2HG GLU 24 2HG GLU 24 8.247 -2.119 -9.912 188 H ASP 25 H ASP 25 11.181 -0.279 -8.044 189 HA ASP 25 HA ASP 25 10.630 -2.918 -6.897 190 1HB ASP 25 1HB ASP 25 12.810 -2.690 -7.859 191 2HB ASP 25 2HB ASP 25 13.140 -1.206 -6.945 192 H THR 26 H THR 26 11.771 0.245 -5.651 193 HA THR 26 HA THR 26 11.811 -0.540 -2.988 194 HB THR 26 HB THR 26 11.277 2.284 -4.013 195 HG1 THR 26 HG1 THR 26 13.476 0.539 -4.111 196 1HG2 THR 26 2HG2 THR 26 11.229 2.041 -1.527 197 2HG2 THR 26 3HG2 THR 26 12.830 1.284 -1.572 198 3HG2 THR 26 1HG2 THR 26 12.625 2.977 -2.077 199 H VAL 27 H VAL 27 9.006 0.668 -4.835 200 HA VAL 27 HA VAL 27 7.316 0.753 -2.469 201 HB VAL 27 HB VAL 27 6.340 0.311 -5.323 202 1HG1 VAL 27 1HG1 VAL 27 5.047 1.312 -2.734 203 2HG1 VAL 27 2HG1 VAL 27 4.279 1.417 -4.319 204 3HG1 VAL 27 3HG1 VAL 27 4.636 -0.168 -3.633 205 1HG2 VAL 27 3HG2 VAL 27 6.821 2.923 -3.823 206 2HG2 VAL 27 1HG2 VAL 27 7.617 2.403 -5.310 207 3HG2 VAL 27 2HG2 VAL 27 5.908 2.763 -5.353 208 H THR 28 H THR 28 8.015 -1.801 -4.945 209 HA THR 28 HA THR 28 6.172 -3.713 -3.981 210 HB THR 28 HB THR 28 8.824 -4.054 -5.458 211 HG1 THR 28 HG1 THR 28 7.548 -2.936 -6.760 212 1HG2 THR 28 1HG2 THR 28 6.483 -5.982 -5.150 213 2HG2 THR 28 2HG2 THR 28 7.856 -6.173 -6.267 214 3HG2 THR 28 3HG2 THR 28 8.136 -6.211 -4.523 215 H GLN 29 H GLN 29 9.674 -3.291 -3.152 216 HA GLN 29 HA GLN 29 9.582 -5.427 -1.210 217 1HB GLN 29 1HB GLN 29 11.751 -4.584 -0.426 218 2HB GLN 29 2HB GLN 29 11.693 -4.984 -2.140 219 1HG GLN 29 1HG GLN 29 11.936 -2.802 -2.831 220 2HG GLN 29 2HG GLN 29 11.393 -2.107 -1.296 221 1HE2 GLN 29 2HE2 GLN 29 15.321 -2.608 -1.847 222 2HE2 GLN 29 1HE2 GLN 29 14.147 -2.670 -3.155 223 H ALA 30 H ALA 30 9.452 -1.809 -0.834 224 HA ALA 30 HA ALA 30 9.372 -1.884 1.970 225 1HB ALA 30 3HB ALA 30 9.795 0.205 0.697 226 2HB ALA 30 1HB ALA 30 8.100 0.211 0.149 227 3HB ALA 30 2HB ALA 30 8.480 0.410 1.866 228 H ALA 31 H ALA 31 6.711 -2.158 -0.406 229 HA ALA 31 HA ALA 31 4.618 -2.120 1.590 230 1HB ALA 31 2HB ALA 31 4.293 -1.484 -0.833 231 2HB ALA 31 3HB ALA 31 4.556 -3.173 -1.291 232 3HB ALA 31 1HB ALA 31 3.162 -2.734 -0.284 233 H SER 32 H SER 32 6.193 -4.850 -0.276 234 HA SER 32 HA SER 32 4.447 -6.809 0.919 235 1HB SER 32 1HB SER 32 6.298 -8.437 0.338 236 2HB SER 32 2HB SER 32 5.690 -7.462 -1.011 237 HG SER 32 HG SER 32 7.503 -6.216 -0.962 238 H GLN 33 H GLN 33 7.408 -5.311 2.111 239 HA GLN 33 HA GLN 33 7.078 -6.719 4.643 240 1HB GLN 33 1HB GLN 33 9.302 -4.949 3.666 241 2HB GLN 33 2HB GLN 33 9.216 -5.652 5.290 242 1HG GLN 33 1HG GLN 33 9.230 -7.233 2.668 243 2HG GLN 33 2HG GLN 33 10.577 -7.068 3.780 244 1HE2 GLN 33 2HE2 GLN 33 9.162 -9.282 6.325 245 2HE2 GLN 33 1HE2 GLN 33 10.374 -8.082 5.974 246 H VAL 34 H VAL 34 5.887 -3.676 3.433 247 HA VAL 34 HA VAL 34 5.616 -2.349 5.936 248 HB VAL 34 HB VAL 34 4.902 -1.456 3.602 249 1HG1 VAL 34 3HG1 VAL 34 2.847 -3.130 3.264 250 2HG1 VAL 34 1HG1 VAL 34 2.063 -2.032 4.354 251 3HG1 VAL 34 2HG1 VAL 34 2.736 -1.435 2.836 252 1HG2 VAL 34 2HG2 VAL 34 3.397 -0.856 6.107 253 2HG2 VAL 34 3HG2 VAL 34 4.915 -0.126 5.477 254 3HG2 VAL 34 1HG2 VAL 34 3.386 0.127 4.629 255 H CYS 35 H CYS 35 3.776 -4.801 4.186 256 HA CYS 35 HA CYS 35 1.656 -5.210 6.016 257 1HB CYS 35 1HB CYS 35 3.075 -7.202 4.162 258 2HB CYS 35 2HB CYS 35 1.469 -7.371 4.858 259 H ASP 36 H ASP 36 4.725 -6.946 5.486 260 HA ASP 36 HA ASP 36 4.395 -8.920 7.407 261 1HB ASP 36 1HB ASP 36 6.158 -8.597 5.610 262 2HB ASP 36 2HB ASP 36 7.061 -7.650 6.801 263 H LYS 37 H LYS 37 5.651 -5.718 7.771 264 HA LYS 37 HA LYS 37 6.391 -5.740 10.542 265 1HB LYS 37 1HB LYS 37 7.365 -4.440 8.700 266 2HB LYS 37 2HB LYS 37 5.863 -3.519 8.510 267 1HG LYS 37 1HG LYS 37 6.249 -2.557 10.782 268 2HG LYS 37 2HG LYS 37 7.799 -3.423 10.845 269 1HD LYS 37 1HD LYS 37 6.988 -1.269 8.830 270 2HD LYS 37 2HD LYS 37 8.096 -1.094 10.180 271 1HE LYS 37 1HE LYS 37 9.582 -1.316 8.455 272 2HE LYS 37 2HE LYS 37 9.509 -2.973 9.057 273 1HZ LYS 37 1HZ LYS 37 7.937 -3.443 7.195 274 2HZ LYS 37 2HZ LYS 37 8.109 -1.881 6.686 275 3HZ LYS 37 3HZ LYS 37 9.392 -2.894 6.665 276 H LEU 38 H LEU 38 3.468 -4.734 8.747 277 HA LEU 38 HA LEU 38 2.108 -3.549 11.033 278 1HB LEU 38 1HB LEU 38 1.269 -4.455 8.253 279 2HB LEU 38 2HB LEU 38 0.078 -3.959 9.435 280 HG LEU 38 HG LEU 38 2.329 -2.094 8.601 281 1HD1 LEU 38 2HD1 LEU 38 -0.476 -2.359 7.410 282 2HD1 LEU 38 3HD1 LEU 38 0.699 -1.081 7.031 283 3HD1 LEU 38 1HD1 LEU 38 1.051 -2.753 6.589 284 1HD2 LEU 38 1HD2 LEU 38 -0.407 -1.621 9.874 285 2HD2 LEU 38 2HD2 LEU 38 1.172 -1.462 10.679 286 3HD2 LEU 38 3HD2 LEU 38 0.727 -0.358 9.372 287 H LYS 39 H LYS 39 2.130 -5.067 12.671 288 HA LYS 39 HA LYS 39 1.407 -7.828 12.139 289 1HB LYS 39 1HB LYS 39 1.528 -8.199 14.530 290 2HB LYS 39 2HB LYS 39 2.949 -7.357 13.964 291 1HG LYS 39 1HG LYS 39 0.607 -6.010 15.393 292 2HG LYS 39 2HG LYS 39 2.003 -6.673 16.215 293 1HD LYS 39 1HD LYS 39 2.011 -4.313 14.302 294 2HD LYS 39 2HD LYS 39 2.180 -4.255 16.035 295 1HE LYS 39 1HE LYS 39 4.182 -5.611 14.161 296 2HE LYS 39 2HE LYS 39 4.328 -3.966 14.764 297 1HZ LYS 39 2HZ LYS 39 4.442 -4.823 17.012 298 2HZ LYS 39 3HZ LYS 39 4.296 -6.374 16.482 299 3HZ LYS 39 1HZ LYS 39 5.620 -5.488 16.088 300 H ILE 40 H ILE 40 -0.504 -8.887 13.142 301 HA ILE 40 HA ILE 40 -2.711 -9.217 13.376 302 HB ILE 40 HB ILE 40 -3.049 -6.208 13.778 303 1HG1 ILE 40 1HG1 ILE 40 -3.163 -8.506 15.783 304 2HG1 ILE 40 2HG1 ILE 40 -1.752 -7.476 15.547 305 1HG2 ILE 40 2HG2 ILE 40 -5.098 -7.182 12.824 306 2HG2 ILE 40 3HG2 ILE 40 -5.112 -8.416 14.100 307 3HG2 ILE 40 1HG2 ILE 40 -5.329 -6.697 14.487 308 1HD1 ILE 40 3HD1 ILE 40 -3.114 -5.474 16.164 309 2HD1 ILE 40 1HD1 ILE 40 -4.462 -6.567 16.573 310 3HD1 ILE 40 2HD1 ILE 40 -2.938 -6.671 17.463 311 H LEU 41 H LEU 41 -2.189 -6.216 11.457 312 HA LEU 41 HA LEU 41 -4.102 -7.094 9.474 313 1HB LEU 41 1HB LEU 41 -3.574 -4.732 10.430 314 2HB LEU 41 2HB LEU 41 -2.200 -4.730 9.331 315 HG LEU 41 HG LEU 41 -3.796 -4.918 7.396 316 1HD1 LEU 41 2HD1 LEU 41 -5.942 -4.606 9.558 317 2HD1 LEU 41 3HD1 LEU 41 -6.210 -4.516 7.809 318 3HD1 LEU 41 1HD1 LEU 41 -5.717 -6.040 8.541 319 1HD2 LEU 41 1HD2 LEU 41 -4.297 -2.653 9.381 320 2HD2 LEU 41 2HD2 LEU 41 -3.033 -2.712 8.133 321 3HD2 LEU 41 3HD2 LEU 41 -4.744 -2.613 7.672 322 H ARG 42 H ARG 42 -1.090 -8.210 9.868 323 HA ARG 42 HA ARG 42 0.325 -7.957 7.486 324 1HB ARG 42 1HB ARG 42 1.311 -8.949 9.450 325 2HB ARG 42 2HB ARG 42 0.207 -10.333 9.401 326 1HG ARG 42 1HG ARG 42 1.255 -11.239 7.447 327 2HG ARG 42 2HG ARG 42 1.996 -9.690 7.054 328 1HD ARG 42 1HD ARG 42 3.749 -10.981 7.714 329 2HD ARG 42 2HD ARG 42 3.459 -9.929 9.105 330 HE ARG 42 HE ARG 42 2.129 -12.232 9.754 331 1HH1 ARG 42 2HH2 ARG 42 5.503 -11.588 8.603 332 2HH1 ARG 42 1HH2 ARG 42 6.208 -12.751 9.618 333 1HH2 ARG 42 2HH1 ARG 42 3.140 -13.941 11.020 334 2HH2 ARG 42 1HH1 ARG 42 4.842 -14.160 10.942 335 H GLY 43 H GLY 43 -2.171 -10.448 8.211 336 1HA GLY 43 1HA GLY 43 -1.939 -11.827 5.726 337 2HA GLY 43 2HA GLY 43 -3.356 -11.828 6.787 338 H LEU 44 H LEU 44 -4.013 -9.056 6.725 339 HA LEU 44 HA LEU 44 -5.685 -9.085 4.416 340 1HB LEU 44 1HB LEU 44 -5.970 -8.089 6.846 341 2HB LEU 44 2HB LEU 44 -5.055 -6.724 6.253 342 HG LEU 44 HG LEU 44 -7.374 -6.214 6.315 343 1HD1 LEU 44 3HD1 LEU 44 -6.138 -5.254 4.398 344 2HD1 LEU 44 1HD1 LEU 44 -6.737 -6.583 3.377 345 3HD1 LEU 44 2HD1 LEU 44 -7.870 -5.431 4.118 346 1HD2 LEU 44 1HD2 LEU 44 -8.278 -8.500 6.194 347 2HD2 LEU 44 2HD2 LEU 44 -9.114 -7.382 5.118 348 3HD2 LEU 44 3HD2 LEU 44 -7.946 -8.541 4.446 349 H CYS 45 H CYS 45 -2.907 -7.061 5.444 350 HA CYS 45 HA CYS 45 -2.519 -5.592 3.121 351 1HB CYS 45 1HB CYS 45 -1.487 -5.314 5.429 352 2HB CYS 45 2HB CYS 45 -0.451 -6.649 5.072 353 H LYS 46 H LYS 46 -0.805 -8.700 4.013 354 HA LYS 46 HA LYS 46 0.570 -8.768 1.534 355 1HB LYS 46 1HB LYS 46 0.171 -10.899 3.622 356 2HB LYS 46 2HB LYS 46 0.849 -11.310 2.034 357 1HG LYS 46 1HG LYS 46 2.545 -9.544 2.239 358 2HG LYS 46 2HG LYS 46 1.885 -9.092 3.803 359 1HD LYS 46 1HD LYS 46 2.756 -10.953 4.901 360 2HD LYS 46 2HD LYS 46 3.154 -11.788 3.373 361 1HE LYS 46 1HE LYS 46 4.705 -9.861 2.802 362 2HE LYS 46 2HE LYS 46 4.387 -9.164 4.374 363 1HZ LYS 46 2HZ LYS 46 5.794 -11.741 3.955 364 2HZ LYS 46 3HZ LYS 46 6.491 -10.289 4.239 365 3HZ LYS 46 1HZ LYS 46 5.601 -10.961 5.409 366 H LYS 47 H LYS 47 -2.728 -10.053 2.286 367 HA LYS 47 HA LYS 47 -2.965 -11.256 -0.304 368 1HB LYS 47 1HB LYS 47 -4.560 -11.684 1.549 369 2HB LYS 47 2HB LYS 47 -5.195 -10.049 1.417 370 1HG LYS 47 1HG LYS 47 -5.209 -11.960 -0.968 371 2HG LYS 47 2HG LYS 47 -6.435 -12.059 0.290 372 1HD LYS 47 1HD LYS 47 -7.076 -9.695 -0.131 373 2HD LYS 47 2HD LYS 47 -5.978 -9.628 -1.504 374 1HE LYS 47 1HE LYS 47 -8.243 -11.649 -1.245 375 2HE LYS 47 2HE LYS 47 -8.428 -10.074 -2.017 376 1HZ LYS 47 3HZ LYS 47 -6.538 -12.146 -2.950 377 2HZ LYS 47 1HZ LYS 47 -8.003 -11.827 -3.612 378 3HZ LYS 47 2HZ LYS 47 -6.834 -10.700 -3.690 379 H ILE 48 H ILE 48 -3.847 -7.903 0.810 380 HA ILE 48 HA ILE 48 -4.838 -7.063 -1.712 381 HB ILE 48 HB ILE 48 -3.686 -5.588 0.675 382 1HG1 ILE 48 1HG1 ILE 48 -6.462 -5.757 -0.605 383 2HG1 ILE 48 2HG1 ILE 48 -5.934 -6.661 0.811 384 1HG2 ILE 48 2HG2 ILE 48 -3.089 -4.190 -1.298 385 2HG2 ILE 48 3HG2 ILE 48 -4.781 -4.239 -1.837 386 3HG2 ILE 48 1HG2 ILE 48 -4.324 -3.431 -0.324 387 1HD1 ILE 48 2HD1 ILE 48 -5.602 -4.482 2.025 388 2HD1 ILE 48 3HD1 ILE 48 -6.339 -3.649 0.633 389 3HD1 ILE 48 1HD1 ILE 48 -7.282 -4.822 1.552 390 H MET 49 H MET 49 -1.503 -6.798 -0.383 391 HA MET 49 HA MET 49 -0.377 -5.581 -2.695 392 1HB MET 49 1HB MET 49 0.948 -7.393 -0.627 393 2HB MET 49 2HB MET 49 1.795 -6.408 -1.825 394 1HG MET 49 1HG MET 49 0.066 -5.426 0.457 395 2HG MET 49 2HG MET 49 1.805 -5.223 0.259 396 1HE MET 49 2HE MET 49 1.119 -2.733 1.102 397 2HE MET 49 3HE MET 49 0.109 -1.623 0.152 398 3HE MET 49 1HE MET 49 -0.628 -3.037 0.930 399 H ARG 50 H ARG 50 -0.557 -9.201 -1.948 400 HA ARG 50 HA ARG 50 0.786 -9.740 -4.431 401 1HB ARG 50 1HB ARG 50 0.500 -11.381 -2.561 402 2HB ARG 50 2HB ARG 50 -1.200 -11.522 -2.942 403 1HG ARG 50 1HG ARG 50 0.136 -13.404 -3.848 404 2HG ARG 50 2HG ARG 50 -0.744 -12.530 -5.100 405 1HD ARG 50 1HD ARG 50 1.305 -11.386 -5.811 406 2HD ARG 50 2HD ARG 50 2.220 -12.146 -4.490 407 HE ARG 50 HE ARG 50 1.118 -14.258 -5.880 408 1HH1 ARG 50 2HH2 ARG 50 3.248 -11.569 -6.807 409 2HH1 ARG 50 1HH2 ARG 50 4.060 -12.439 -8.050 410 1HH2 ARG 50 2HH1 ARG 50 2.202 -15.438 -7.570 411 2HH2 ARG 50 1HH1 ARG 50 3.435 -14.686 -8.492 412 H SER 51 H SER 51 -2.578 -9.438 -3.588 413 HA SER 51 HA SER 51 -3.704 -10.318 -6.053 414 1HB SER 51 1HB SER 51 -4.742 -10.072 -3.715 415 2HB SER 51 2HB SER 51 -4.981 -8.358 -4.098 416 HG SER 51 HG SER 51 -6.200 -9.180 -5.944 417 H PHE 52 H PHE 52 -2.612 -7.040 -5.048 418 HA PHE 52 HA PHE 52 -3.278 -6.032 -7.771 419 1HB PHE 52 1HB PHE 52 -3.838 -4.561 -5.168 420 2HB PHE 52 2HB PHE 52 -4.288 -4.065 -6.787 421 HD1 PHE 52 HD2 PHE 52 -5.772 -6.107 -8.053 422 HD2 PHE 52 HD1 PHE 52 -5.688 -5.043 -3.871 423 HE1 PHE 52 HE2 PHE 52 -8.076 -6.973 -7.779 424 HE2 PHE 52 HE1 PHE 52 -8.005 -5.893 -3.614 425 HZ PHE 52 HZ PHE 52 -9.205 -6.846 -5.571 426 H LEU 53 H LEU 53 -0.612 -6.823 -6.740 427 HA LEU 53 HA LEU 53 0.791 -4.828 -5.526 428 1HB LEU 53 1HB LEU 53 1.511 -7.256 -6.303 429 2HB LEU 53 2HB LEU 53 2.050 -6.466 -7.743 430 HG LEU 53 HG LEU 53 3.978 -6.590 -6.445 431 1HD1 LEU 53 1HD1 LEU 53 3.732 -4.190 -7.129 432 2HD1 LEU 53 2HD1 LEU 53 2.998 -3.845 -5.533 433 3HD1 LEU 53 3HD1 LEU 53 4.657 -4.407 -5.651 434 1HD2 LEU 53 1HD2 LEU 53 2.866 -7.365 -4.389 435 2HD2 LEU 53 2HD2 LEU 53 4.100 -6.143 -4.036 436 3HD2 LEU 53 3HD2 LEU 53 2.381 -5.694 -4.016 437 H ARG 54 H ARG 54 0.771 -5.315 -9.070 438 HA ARG 54 HA ARG 54 2.132 -3.046 -9.904 439 1HB ARG 54 1HB ARG 54 1.112 -5.066 -11.204 440 2HB ARG 54 2HB ARG 54 -0.347 -4.105 -11.333 441 1HG ARG 54 1HG ARG 54 2.379 -3.551 -12.540 442 2HG ARG 54 2HG ARG 54 0.950 -4.116 -13.358 443 1HD ARG 54 1HD ARG 54 1.092 -1.928 -14.071 444 2HD ARG 54 2HD ARG 54 -0.145 -1.858 -12.815 445 HE ARG 54 HE ARG 54 1.213 -0.529 -11.546 446 1HH1 ARG 54 2HH2 ARG 54 3.441 -1.906 -14.063 447 2HH1 ARG 54 1HH2 ARG 54 4.808 -1.369 -13.108 448 1HH2 ARG 54 2HH1 ARG 54 3.121 0.403 -10.673 449 2HH2 ARG 54 1HH1 ARG 54 4.622 -0.213 -11.255 450 H ARG 55 H ARG 55 -1.372 -3.206 -8.781 451 HA ARG 55 HA ARG 55 -1.988 -0.606 -9.639 452 1HB ARG 55 1HB ARG 55 -3.316 -2.393 -7.648 453 2HB ARG 55 2HB ARG 55 -3.823 -0.805 -8.125 454 1HG ARG 55 1HG ARG 55 -3.526 -1.813 -10.620 455 2HG ARG 55 2HG ARG 55 -3.785 -3.318 -9.722 456 1HD ARG 55 1HD ARG 55 -5.892 -2.821 -10.309 457 2HD ARG 55 2HD ARG 55 -5.812 -2.005 -8.711 458 HE ARG 55 HE ARG 55 -5.113 -0.107 -10.650 459 1HH1 ARG 55 2HH2 ARG 55 -8.050 -1.969 -9.826 460 2HH1 ARG 55 1HH2 ARG 55 -9.125 -0.732 -10.347 461 1HH2 ARG 55 2HH1 ARG 55 -6.583 1.534 -11.315 462 2HH2 ARG 55 1HH1 ARG 55 -8.277 1.282 -11.225 463 H ILE 56 H ILE 56 -1.054 -2.067 -6.393 464 HA ILE 56 HA ILE 56 -1.219 0.453 -5.078 465 HB ILE 56 HB ILE 56 0.458 -1.943 -4.240 466 1HG1 ILE 56 1HG1 ILE 56 -1.697 -2.846 -4.352 467 2HG1 ILE 56 2HG1 ILE 56 -1.572 -2.335 -2.689 468 1HG2 ILE 56 1HG2 ILE 56 -0.556 0.503 -2.736 469 2HG2 ILE 56 2HG2 ILE 56 0.092 -0.945 -1.939 470 3HG2 ILE 56 3HG2 ILE 56 1.125 0.011 -2.989 471 1HD1 ILE 56 2HD1 ILE 56 -2.848 -0.218 -3.335 472 2HD1 ILE 56 3HD1 ILE 56 -3.112 -0.956 -4.928 473 3HD1 ILE 56 1HD1 ILE 56 -3.754 -1.746 -3.488 474 H SER 57 H SER 57 1.469 -1.041 -6.878 475 HA SER 57 HA SER 57 3.357 0.938 -6.104 476 1HB SER 57 1HB SER 57 3.855 -1.295 -7.162 477 2HB SER 57 2HB SER 57 3.338 -0.599 -8.714 478 HG SER 57 HG SER 57 5.452 -0.190 -8.646 479 H TRP 58 H TRP 58 1.120 0.816 -8.978 480 HA TRP 58 HA TRP 58 1.857 3.340 -10.091 481 1HB TRP 58 1HB TRP 58 0.407 2.409 -11.542 482 2HB TRP 58 2HB TRP 58 -0.414 1.480 -10.311 483 HD1 TRP 58 HD1 TRP 58 -0.493 5.242 -11.377 484 HE1 TRP 58 HE1 TRP 58 -2.867 6.069 -11.250 485 HE3 TRP 58 HE3 TRP 58 -2.675 1.185 -9.256 486 HZ2 TRP 58 HZ2 TRP 58 -5.579 4.867 -10.753 487 HZ3 TRP 58 HZ3 TRP 58 -4.993 1.136 -8.744 488 HH2 TRP 58 HH2 TRP 58 -6.484 2.908 -9.384 489 H ASP 59 H ASP 59 -0.584 2.571 -7.621 490 HA ASP 59 HA ASP 59 -1.434 5.210 -7.178 491 1HB ASP 59 1HB ASP 59 -1.628 2.663 -5.527 492 2HB ASP 59 2HB ASP 59 -2.116 4.178 -4.851 493 HD2 ASP 59 HD2 ASP 59 -5.163 3.217 -6.591 494 H ILE 60 H ILE 60 1.191 3.567 -5.356 495 HA ILE 60 HA ILE 60 1.832 5.970 -3.897 496 HB ILE 60 HB ILE 60 3.128 3.316 -4.353 497 1HG1 ILE 60 1HG1 ILE 60 3.009 3.051 -1.996 498 2HG1 ILE 60 2HG1 ILE 60 2.724 4.763 -1.716 499 1HG2 ILE 60 1HG2 ILE 60 4.529 5.672 -3.032 500 2HG2 ILE 60 2HG2 ILE 60 5.032 3.972 -2.907 501 3HG2 ILE 60 3HG2 ILE 60 5.058 4.781 -4.476 502 1HD1 ILE 60 2HD1 ILE 60 0.694 2.865 -2.926 503 2HD1 ILE 60 3HD1 ILE 60 0.784 3.417 -1.242 504 3HD1 ILE 60 1HD1 ILE 60 0.440 4.588 -2.520 505 H LEU 61 H LEU 61 3.159 4.613 -6.970 506 HA LEU 61 HA LEU 61 5.208 6.527 -7.306 507 1HB LEU 61 1HB LEU 61 3.588 4.983 -9.360 508 2HB LEU 61 2HB LEU 61 4.995 5.946 -9.775 509 HG LEU 61 HG LEU 61 5.197 3.656 -7.785 510 1HD1 LEU 61 1HD1 LEU 61 4.274 2.770 -9.903 511 2HD1 LEU 61 2HD1 LEU 61 5.588 3.549 -10.811 512 3HD1 LEU 61 3HD1 LEU 61 5.939 2.237 -9.664 513 1HD2 LEU 61 3HD2 LEU 61 7.138 5.204 -7.839 514 2HD2 LEU 61 1HD2 LEU 61 7.522 3.582 -8.417 515 3HD2 LEU 61 2HD2 LEU 61 7.314 4.902 -9.582 516 H THR 62 H THR 62 1.760 6.734 -8.141 517 HA THR 62 HA THR 62 2.108 9.385 -9.392 518 HB THR 62 HB THR 62 -0.410 9.283 -9.593 519 HG1 THR 62 HG1 THR 62 -0.004 6.589 -8.778 520 1HG2 THR 62 2HG2 THR 62 1.106 8.669 -11.430 521 2HG2 THR 62 3HG2 THR 62 1.156 6.993 -10.851 522 3HG2 THR 62 1HG2 THR 62 -0.372 7.697 -11.444 523 H GLY 63 H GLY 63 2.537 8.620 -6.368 524 1HA GLY 63 1HA GLY 63 2.102 9.342 -4.286 525 2HA GLY 63 2HA GLY 63 2.237 10.940 -5.039 526 H LYS 64 H LYS 64 -0.331 8.379 -5.251 527 HA LYS 64 HA LYS 64 -2.306 10.542 -4.891 528 1HB LYS 64 1HB LYS 64 -2.480 8.913 -6.721 529 2HB LYS 64 2HB LYS 64 -2.584 7.578 -5.573 530 1HG LYS 64 1HG LYS 64 -4.763 8.258 -4.838 531 2HG LYS 64 2HG LYS 64 -4.599 9.868 -5.549 532 1HD LYS 64 1HD LYS 64 -6.104 8.249 -6.817 533 2HD LYS 64 2HD LYS 64 -4.845 9.060 -7.772 534 1HE LYS 64 1HE LYS 64 -3.403 7.082 -7.672 535 2HE LYS 64 2HE LYS 64 -4.529 6.271 -6.581 536 1HZ LYS 64 1HZ LYS 64 -6.131 6.165 -8.382 537 2HZ LYS 64 2HZ LYS 64 -5.069 6.918 -9.402 538 3HZ LYS 64 3HZ LYS 64 -4.750 5.439 -8.705 539 H LYS 65 H LYS 65 -3.732 10.580 -3.132 540 HA LYS 65 HA LYS 65 -2.491 9.594 -0.703 541 1HB LYS 65 1HB LYS 65 -4.807 11.416 -1.250 542 2HB LYS 65 2HB LYS 65 -4.645 10.752 0.355 543 1HG LYS 65 1HG LYS 65 -3.639 12.963 0.146 544 2HG LYS 65 2HG LYS 65 -2.496 11.763 0.691 545 1HD LYS 65 1HD LYS 65 -2.568 12.683 -2.200 546 2HD LYS 65 2HD LYS 65 -1.763 13.619 -0.961 547 1HE LYS 65 1HE LYS 65 -1.003 10.784 -1.781 548 2HE LYS 65 2HE LYS 65 -0.185 12.275 -2.218 549 1HZ LYS 65 2HZ LYS 65 0.262 12.571 0.211 550 2HZ LYS 65 3HZ LYS 65 -0.282 11.019 0.453 551 3HZ LYS 65 1HZ LYS 65 0.989 11.272 -0.482 552 HA PRO 66 HA PRO 66 -4.206 5.849 0.318 553 1HB PRO 66 1HB PRO 66 -4.978 6.118 3.015 554 2HB PRO 66 2HB PRO 66 -3.317 5.891 2.426 555 1HG PRO 66 1HG PRO 66 -4.666 8.500 3.081 556 2HG PRO 66 2HG PRO 66 -3.017 7.927 3.506 557 1HD PRO 66 1HD PRO 66 -3.262 9.546 1.467 558 2HD PRO 66 2HD PRO 66 -2.268 8.070 1.254 559 H GLN 67 H GLN 67 -6.510 8.141 1.941 560 HA GLN 67 HA GLN 67 -8.629 6.247 1.739 561 1HB GLN 67 1HB GLN 67 -8.363 8.251 3.313 562 2HB GLN 67 2HB GLN 67 -9.005 9.256 2.005 563 1HG GLN 67 1HG GLN 67 -11.109 8.042 2.028 564 2HG GLN 67 2HG GLN 67 -10.440 6.777 3.067 565 1HE2 GLN 67 2HE2 GLN 67 -12.302 9.739 4.911 566 2HE2 GLN 67 1HE2 GLN 67 -12.563 9.281 3.244 567 H ALA 68 H ALA 68 -7.314 8.358 -0.696 568 HA ALA 68 HA ALA 68 -9.696 8.194 -2.404 569 1HB ALA 68 1HB ALA 68 -8.185 10.159 -2.576 570 2HB ALA 68 2HB ALA 68 -6.840 9.088 -3.041 571 3HB ALA 68 3HB ALA 68 -8.257 9.241 -4.091 572 H ILE 69 H ILE 69 -6.403 6.671 -2.117 573 HA ILE 69 HA ILE 69 -6.541 4.896 -4.259 574 HB ILE 69 HB ILE 69 -5.168 4.716 -1.581 575 1HG1 ILE 69 1HG1 ILE 69 -4.103 4.963 -4.408 576 2HG1 ILE 69 2HG1 ILE 69 -4.568 6.364 -3.496 577 1HG2 ILE 69 3HG2 ILE 69 -5.221 2.653 -3.794 578 2HG2 ILE 69 1HG2 ILE 69 -3.860 2.769 -2.681 579 3HG2 ILE 69 2HG2 ILE 69 -5.475 2.403 -2.063 580 1HD1 ILE 69 3HD1 ILE 69 -2.460 4.425 -2.463 581 2HD1 ILE 69 1HD1 ILE 69 -2.126 5.901 -3.369 582 3HD1 ILE 69 2HD1 ILE 69 -2.937 6.008 -1.802 583 H CYS 70 H CYS 70 -7.903 4.375 -0.989 584 HA CYS 70 HA CYS 70 -8.826 1.731 -1.514 585 1HB CYS 70 1HB CYS 70 -10.103 3.807 0.333 586 2HB CYS 70 2HB CYS 70 -10.174 2.046 0.497 587 H VAL 71 H VAL 71 -10.466 4.854 -2.209 588 HA VAL 71 HA VAL 71 -12.909 3.518 -3.088 589 HB VAL 71 HB VAL 71 -11.870 6.346 -3.459 590 1HG1 VAL 71 3HG1 VAL 71 -13.628 5.699 -5.184 591 2HG1 VAL 71 1HG1 VAL 71 -14.748 5.416 -3.834 592 3HG1 VAL 71 2HG1 VAL 71 -14.078 7.027 -4.109 593 1HG2 VAL 71 1HG2 VAL 71 -12.335 5.745 -1.078 594 2HG2 VAL 71 2HG2 VAL 71 -13.503 6.913 -1.690 595 3HG2 VAL 71 3HG2 VAL 71 -13.965 5.208 -1.544 596 H ASP 72 H ASP 72 -10.067 4.939 -4.643 597 HA ASP 72 HA ASP 72 -10.486 4.727 -7.325 598 1HB ASP 72 1HB ASP 72 -8.721 5.921 -6.317 599 2HB ASP 72 2HB ASP 72 -8.116 4.512 -5.502 600 H ILE 73 H ILE 73 -8.973 2.084 -5.360 601 HA ILE 73 HA ILE 73 -9.350 0.335 -7.752 602 HB ILE 73 HB ILE 73 -7.893 -1.305 -6.762 603 1HG1 ILE 73 1HG1 ILE 73 -8.102 0.466 -4.342 604 2HG1 ILE 73 2HG1 ILE 73 -7.965 -1.282 -4.493 605 1HG2 ILE 73 2HG2 ILE 73 -7.246 0.669 -8.214 606 2HG2 ILE 73 3HG2 ILE 73 -6.695 1.484 -6.768 607 3HG2 ILE 73 1HG2 ILE 73 -5.942 -0.057 -7.252 608 1HD1 ILE 73 2HD1 ILE 73 -5.583 -0.987 -5.187 609 2HD1 ILE 73 3HD1 ILE 73 -5.750 0.759 -4.906 610 3HD1 ILE 73 1HD1 ILE 73 -5.926 -0.350 -3.543 611 H LYS 74 H LYS 74 -11.160 1.073 -5.148 612 HA LYS 74 HA LYS 74 -13.175 0.552 -4.683 613 1HB LYS 74 1HB LYS 74 -13.452 -0.183 -7.066 614 2HB LYS 74 2HB LYS 74 -13.145 -1.864 -6.538 615 1HG LYS 74 1HG LYS 74 -14.899 -1.570 -4.816 616 2HG LYS 74 2HG LYS 74 -15.209 0.031 -5.463 617 1HD LYS 74 1HD LYS 74 -16.334 -0.589 -7.294 618 2HD LYS 74 2HD LYS 74 -15.650 -2.211 -7.284 619 1HE LYS 74 1HE LYS 74 -18.079 -2.124 -6.540 620 2HE LYS 74 2HE LYS 74 -16.968 -2.876 -5.386 621 1HZ LYS 74 1HZ LYS 74 -16.929 -0.639 -4.223 622 2HZ LYS 74 2HZ LYS 74 -18.201 -0.179 -5.138 623 3HZ LYS 74 3HZ LYS 74 -18.381 -1.420 -4.172 624 H ILE 75 H ILE 75 -12.379 0.323 -2.655 625 HA ILE 75 HA ILE 75 -12.498 -2.404 -1.450 626 HB ILE 75 HB ILE 75 -10.287 -0.326 -1.168 627 1HG1 ILE 75 1HG1 ILE 75 -10.331 -3.179 -2.257 628 2HG1 ILE 75 2HG1 ILE 75 -9.958 -1.697 -3.138 629 1HG2 ILE 75 2HG2 ILE 75 -10.592 -2.906 0.397 630 2HG2 ILE 75 3HG2 ILE 75 -9.185 -1.828 0.452 631 3HG2 ILE 75 1HG2 ILE 75 -10.704 -1.237 1.051 632 1HD1 ILE 75 1HD1 ILE 75 -7.898 -1.432 -1.707 633 2HD1 ILE 75 2HD1 ILE 75 -8.217 -3.070 -1.071 634 3HD1 ILE 75 3HD1 ILE 75 -7.908 -2.848 -2.789 635 H CYS 76 H CYS 76 -13.277 0.991 -1.306 636 HA CYS 76 HA CYS 76 -13.565 1.076 1.587 637 1HB CYS 76 1HB CYS 76 -12.562 2.943 0.213 638 2HB CYS 76 2HB CYS 76 -14.122 3.186 -0.529 639 H LYS 77 H LYS 77 -15.798 2.560 -0.705 640 HA LYS 77 HA LYS 77 -17.905 0.833 -0.573 641 1HB LYS 77 1HB LYS 77 -18.113 1.749 1.864 642 2HB LYS 77 2HB LYS 77 -18.640 3.255 1.144 643 1HG LYS 77 1HG LYS 77 -19.924 0.501 0.914 644 2HG LYS 77 2HG LYS 77 -20.547 1.863 1.829 645 1HD LYS 77 1HD LYS 77 -20.439 1.651 -1.211 646 2HD LYS 77 2HD LYS 77 -21.846 1.370 -0.212 647 1HE LYS 77 1HE LYS 77 -22.091 3.651 0.385 648 2HE LYS 77 2HE LYS 77 -20.431 4.041 -0.097 649 1HZ LYS 77 3HZ LYS 77 -21.037 3.588 -2.396 650 2HZ LYS 77 1HZ LYS 77 -22.571 3.317 -2.008 651 3HZ LYS 77 2HZ LYS 77 -21.913 4.823 -1.787 652 H GLU 78 H GLU 78 -17.274 1.358 -2.649 653 HA GLU 78 HA GLU 78 -18.212 3.858 -3.857 654 1HB GLU 78 1HB GLU 78 -17.258 1.400 -5.375 655 2HB GLU 78 2HB GLU 78 -17.147 3.078 -5.780 656 1HG GLU 78 1HG GLU 78 -14.965 2.128 -5.370 657 2HG GLU 78 2HG GLU 78 -15.322 3.394 -4.214 No H/Q in entry = 657 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -16.957 -0.489 5.067 2 2H GLY 1 2H GLY 1 -18.394 -1.135 5.573 3 3H GLY 1 3H GLY 1 -17.498 -0.182 6.584 4 1HA GLY 1 1HA GLY 1 -17.224 -2.463 7.229 5 2HA GLY 1 2HA GLY 1 -16.721 -2.830 5.565 6 H TYR 2 H TYR 2 -15.109 -3.259 8.003 7 HA TYR 2 HA TYR 2 -13.281 -1.283 8.613 8 1HB TYR 2 1HB TYR 2 -13.606 -3.283 9.926 9 2HB TYR 2 2HB TYR 2 -13.086 -4.306 8.594 10 HD1 TYR 2 HD2 TYR 2 -11.416 -1.216 10.074 11 HD2 TYR 2 HD1 TYR 2 -11.238 -5.490 9.411 12 HE1 TYR 2 HE2 TYR 2 -9.112 -1.243 10.898 13 HE2 TYR 2 HE1 TYR 2 -8.930 -5.521 10.290 14 HH TYR 2 HH TYR 2 -7.306 -2.538 11.411 15 H PHE 3 H PHE 3 -13.296 -3.267 5.693 16 HA PHE 3 HA PHE 3 -10.759 -3.200 4.737 17 1HB PHE 3 1HB PHE 3 -13.414 -2.722 3.365 18 2HB PHE 3 2HB PHE 3 -11.918 -2.651 2.469 19 HD1 PHE 3 HD2 PHE 3 -10.524 -4.548 2.032 20 HD2 PHE 3 HD1 PHE 3 -14.224 -4.952 4.227 21 HE1 PHE 3 HE2 PHE 3 -10.497 -6.991 1.637 22 HE2 PHE 3 HE1 PHE 3 -14.167 -7.402 3.849 23 HZ PHE 3 HZ PHE 3 -12.320 -8.416 2.550 24 H CYS 4 H CYS 4 -12.963 -0.322 4.572 25 HA CYS 4 HA CYS 4 -11.167 1.204 3.025 26 1HB CYS 4 1HB CYS 4 -13.610 1.689 3.490 27 2HB CYS 4 2HB CYS 4 -13.133 2.344 5.054 28 H GLU 5 H GLU 5 -11.526 1.077 6.601 29 HA GLU 5 HA GLU 5 -9.495 3.029 7.171 30 1HB GLU 5 1HB GLU 5 -11.408 2.095 8.671 31 2HB GLU 5 2HB GLU 5 -10.348 0.728 8.987 32 1HG GLU 5 1HG GLU 5 -9.784 3.670 9.554 33 2HG GLU 5 2HG GLU 5 -10.221 2.451 10.745 34 H SER 6 H SER 6 -9.538 -0.559 7.086 35 HA SER 6 HA SER 6 -6.886 -1.106 7.765 36 1HB SER 6 1HB SER 6 -8.500 -2.523 5.596 37 2HB SER 6 2HB SER 6 -7.112 -3.162 6.484 38 HG SER 6 HG SER 6 -9.582 -2.403 7.683 39 H CYS 7 H CYS 7 -8.231 -0.495 4.507 40 HA CYS 7 HA CYS 7 -5.827 -0.645 3.023 41 1HB CYS 7 1HB CYS 7 -7.934 -0.852 2.017 42 2HB CYS 7 2HB CYS 7 -8.515 0.696 2.617 43 H ARG 8 H ARG 8 -7.536 2.214 4.463 44 HA ARG 8 HA ARG 8 -5.674 4.106 3.511 45 1HB ARG 8 1HB ARG 8 -7.925 4.628 4.622 46 2HB ARG 8 2HB ARG 8 -7.148 4.289 6.179 47 1HG ARG 8 1HG ARG 8 -5.336 6.020 5.322 48 2HG ARG 8 2HG ARG 8 -6.594 6.525 4.199 49 1HD ARG 8 1HD ARG 8 -8.029 7.201 6.029 50 2HD ARG 8 2HD ARG 8 -6.988 6.404 7.212 51 HE ARG 8 HE ARG 8 -5.162 7.970 6.597 52 1HH1 ARG 8 2HH2 ARG 8 -8.504 9.187 6.025 53 2HH1 ARG 8 1HH2 ARG 8 -8.048 10.803 6.387 54 1HH2 ARG 8 2HH1 ARG 8 -4.582 10.010 6.827 55 2HH2 ARG 8 1HH1 ARG 8 -5.714 11.326 6.837 56 H LYS 9 H LYS 9 -5.722 2.336 6.657 57 HA LYS 9 HA LYS 9 -3.302 3.413 7.642 58 1HB LYS 9 1HB LYS 9 -5.064 2.255 8.947 59 2HB LYS 9 2HB LYS 9 -4.610 0.713 8.215 60 1HG LYS 9 1HG LYS 9 -2.396 0.832 9.214 61 2HG LYS 9 2HG LYS 9 -2.705 2.450 9.854 62 1HD LYS 9 1HD LYS 9 -4.456 0.086 10.664 63 2HD LYS 9 2HD LYS 9 -2.877 0.352 11.389 64 1HE LYS 9 1HE LYS 9 -4.277 1.377 12.903 65 2HE LYS 9 2HE LYS 9 -3.628 2.729 11.971 66 1HZ LYS 9 1HZ LYS 9 -6.325 1.522 11.489 67 2HZ LYS 9 2HZ LYS 9 -6.050 2.875 12.365 68 3HZ LYS 9 3HZ LYS 9 -5.788 2.803 10.765 69 H ILE 10 H ILE 10 -3.859 0.511 5.629 70 HA ILE 10 HA ILE 10 -1.213 -0.503 5.631 71 HB ILE 10 HB ILE 10 -3.559 -0.770 3.736 72 1HG1 ILE 10 1HG1 ILE 10 -2.106 -2.851 5.426 73 2HG1 ILE 10 2HG1 ILE 10 -3.385 -1.864 6.086 74 1HG2 ILE 10 2HG2 ILE 10 -0.792 -1.969 3.428 75 2HG2 ILE 10 3HG2 ILE 10 -2.224 -2.693 2.668 76 3HG2 ILE 10 1HG2 ILE 10 -1.727 -1.070 2.220 77 1HD1 ILE 10 1HD1 ILE 10 -4.973 -2.709 4.358 78 2HD1 ILE 10 2HD1 ILE 10 -3.704 -3.784 3.740 79 3HD1 ILE 10 3HD1 ILE 10 -4.319 -4.010 5.366 80 H ILE 11 H ILE 11 -2.793 1.717 3.224 81 HA ILE 11 HA ILE 11 -0.311 2.143 1.844 82 HB ILE 11 HB ILE 11 -2.837 3.823 1.936 83 1HG1 ILE 11 1HG1 ILE 11 -3.367 1.751 0.857 84 2HG1 ILE 11 2HG1 ILE 11 -3.235 2.992 -0.373 85 1HG2 ILE 11 1HG2 ILE 11 -0.389 4.098 0.133 86 2HG2 ILE 11 2HG2 ILE 11 -1.930 4.936 -0.113 87 3HG2 ILE 11 3HG2 ILE 11 -0.967 5.281 1.308 88 1HD1 ILE 11 3HD1 ILE 11 -1.020 2.124 -1.035 89 2HD1 ILE 11 1HD1 ILE 11 -1.140 0.859 0.216 90 3HD1 ILE 11 2HD1 ILE 11 -2.284 0.894 -1.133 91 H GLN 12 H GLN 12 -1.941 4.093 4.444 92 HA GLN 12 HA GLN 12 -0.108 6.193 4.471 93 1HB GLN 12 1HB GLN 12 -1.611 4.923 6.790 94 2HB GLN 12 2HB GLN 12 -0.699 6.418 6.948 95 1HG GLN 12 1HG GLN 12 -2.722 6.334 4.742 96 2HG GLN 12 2HG GLN 12 -3.328 6.294 6.392 97 1HE2 GLN 12 2HE2 GLN 12 -1.232 9.730 5.389 98 2HE2 GLN 12 1HE2 GLN 12 -0.797 8.300 4.523 99 H LYS 13 H LYS 13 0.176 3.060 6.356 100 HA LYS 13 HA LYS 13 2.600 4.001 7.533 101 1HB LYS 13 1HB LYS 13 1.062 2.092 8.374 102 2HB LYS 13 2HB LYS 13 1.738 1.094 7.090 103 1HG LYS 13 1HG LYS 13 2.872 0.510 9.097 104 2HG LYS 13 2HG LYS 13 4.028 1.394 8.138 105 1HD LYS 13 1HD LYS 13 2.600 3.280 9.864 106 2HD LYS 13 2HD LYS 13 3.094 1.891 10.820 107 1HE LYS 13 1HE LYS 13 4.864 3.487 10.971 108 2HE LYS 13 2HE LYS 13 5.451 2.182 9.917 109 1HZ LYS 13 2HZ LYS 13 4.870 3.665 8.004 110 2HZ LYS 13 3HZ LYS 13 4.463 4.856 9.102 111 3HZ LYS 13 1HZ LYS 13 5.929 4.418 8.997 112 H LEU 14 H LEU 14 1.987 2.516 4.394 113 HA LEU 14 HA LEU 14 4.792 1.861 3.925 114 1HB LEU 14 1HB LEU 14 2.952 0.735 2.703 115 2HB LEU 14 2HB LEU 14 2.451 2.241 1.991 116 HG LEU 14 HG LEU 14 3.774 0.637 0.583 117 1HD1 LEU 14 2HD1 LEU 14 3.459 3.078 0.037 118 2HD1 LEU 14 3HD1 LEU 14 5.096 3.358 0.646 119 3HD1 LEU 14 1HD1 LEU 14 4.857 2.275 -0.717 120 1HD2 LEU 14 1HD2 LEU 14 5.541 0.110 2.300 121 2HD2 LEU 14 2HD2 LEU 14 6.156 0.548 0.690 122 3HD2 LEU 14 3HD2 LEU 14 6.237 1.712 2.013 123 H GLU 15 H GLU 15 2.551 4.428 2.954 124 HA GLU 15 HA GLU 15 4.173 6.017 1.372 125 1HB GLU 15 1HB GLU 15 1.670 5.973 1.678 126 2HB GLU 15 2HB GLU 15 1.859 6.624 3.296 127 1HG GLU 15 1HG GLU 15 2.630 8.770 2.321 128 2HG GLU 15 2HG GLU 15 2.412 8.078 0.703 129 H ASP 16 H ASP 16 3.616 6.192 4.889 130 HA ASP 16 HA ASP 16 5.381 8.310 5.549 131 1HB ASP 16 1HB ASP 16 3.731 7.488 7.080 132 2HB ASP 16 2HB ASP 16 4.185 5.817 6.809 133 H MET 17 H MET 17 6.075 4.861 4.975 134 HA MET 17 HA MET 17 8.777 5.198 6.093 135 1HB MET 17 1HB MET 17 7.355 2.803 4.869 136 2HB MET 17 2HB MET 17 9.058 2.784 5.369 137 1HG MET 17 1HG MET 17 8.382 3.495 7.653 138 2HG MET 17 2HG MET 17 6.712 3.423 7.158 139 1HE MET 17 2HE MET 17 6.766 0.625 5.390 140 2HE MET 17 3HE MET 17 8.523 0.391 5.511 141 3HE MET 17 1HE MET 17 7.418 -0.782 6.254 142 H VAL 18 H VAL 18 7.362 4.553 2.784 143 HA VAL 18 HA VAL 18 10.068 4.433 1.708 144 HB VAL 18 HB VAL 18 7.991 3.288 0.752 145 1HG1 VAL 18 2HG1 VAL 18 6.544 5.298 0.513 146 2HG1 VAL 18 3HG1 VAL 18 7.634 5.864 -0.765 147 3HG1 VAL 18 1HG1 VAL 18 6.752 4.351 -0.991 148 1HG2 VAL 18 3HG2 VAL 18 10.059 4.642 -0.966 149 2HG2 VAL 18 1HG2 VAL 18 10.126 3.060 -0.196 150 3HG2 VAL 18 2HG2 VAL 18 8.977 3.327 -1.520 151 H GLY 19 H GLY 19 7.602 6.919 2.281 152 1HA GLY 19 1HA GLY 19 7.844 9.137 2.471 153 2HA GLY 19 2HA GLY 19 9.541 9.031 1.963 154 HA PRO 20 HA PRO 20 7.033 10.679 -1.616 155 1HB PRO 20 1HB PRO 20 8.539 12.836 -2.296 156 2HB PRO 20 2HB PRO 20 7.467 12.868 -0.862 157 1HG PRO 20 1HG PRO 20 10.448 12.281 -0.947 158 2HG PRO 20 2HG PRO 20 9.581 13.435 0.118 159 1HD PRO 20 1HD PRO 20 10.225 10.871 0.864 160 2HD PRO 20 2HD PRO 20 8.732 11.703 1.454 161 H GLN 21 H GLN 21 7.721 11.091 -3.749 162 HA GLN 21 HA GLN 21 8.241 9.857 -5.679 163 1HB GLN 21 1HB GLN 21 10.791 11.403 -5.111 164 2HB GLN 21 2HB GLN 21 10.111 10.970 -6.681 165 1HG GLN 21 1HG GLN 21 9.128 13.032 -4.697 166 2HG GLN 21 2HG GLN 21 9.581 13.261 -6.380 167 1HE2 GLN 21 1HE2 GLN 21 8.047 12.298 -8.071 168 2HE2 GLN 21 2HE2 GLN 21 6.361 12.119 -7.609 169 HA PRO 22 HA PRO 22 10.945 6.424 -4.130 170 1HB PRO 22 1HB PRO 22 9.225 4.424 -3.775 171 2HB PRO 22 2HB PRO 22 9.282 5.805 -2.636 172 1HG PRO 22 1HG PRO 22 7.387 5.484 -4.986 173 2HG PRO 22 2HG PRO 22 6.988 5.749 -3.247 174 1HD PRO 22 1HD PRO 22 7.222 7.835 -5.016 175 2HD PRO 22 2HD PRO 22 7.704 7.961 -3.295 176 H ASN 23 H ASN 23 10.726 3.970 -5.261 177 HA ASN 23 HA ASN 23 10.074 4.210 -8.139 178 1HB ASN 23 1HB ASN 23 12.180 3.131 -8.707 179 2HB ASN 23 2HB ASN 23 12.515 4.611 -7.809 180 1HD2 ASN 23 2HD2 ASN 23 14.013 1.190 -6.343 181 2HD2 ASN 23 1HD2 ASN 23 13.473 1.333 -8.001 182 H GLU 24 H GLU 24 9.402 2.281 -9.017 183 HA GLU 24 HA GLU 24 7.688 0.728 -7.699 184 1HB GLU 24 1HB GLU 24 7.695 0.893 -10.039 185 2HB GLU 24 2HB GLU 24 9.272 0.140 -10.201 186 1HG GLU 24 1HG GLU 24 8.436 -2.025 -9.812 187 2HG GLU 24 2HG GLU 24 7.057 -1.441 -8.877 188 H ASP 25 H ASP 25 11.166 -0.302 -7.952 189 HA ASP 25 HA ASP 25 10.605 -2.902 -6.827 190 1HB ASP 25 1HB ASP 25 12.736 -2.595 -7.938 191 2HB ASP 25 2HB ASP 25 13.205 -1.332 -6.778 192 H THR 26 H THR 26 12.012 0.080 -5.315 193 HA THR 26 HA THR 26 12.007 -0.824 -2.729 194 HB THR 26 HB THR 26 11.430 2.043 -3.599 195 HG1 THR 26 HG1 THR 26 13.390 2.134 -4.317 196 1HG2 THR 26 1HG2 THR 26 11.470 1.541 -1.112 197 2HG2 THR 26 2HG2 THR 26 13.123 0.937 -1.302 198 3HG2 THR 26 3HG2 THR 26 12.759 2.645 -1.632 199 H VAL 27 H VAL 27 9.314 0.624 -4.564 200 HA VAL 27 HA VAL 27 7.493 0.700 -2.321 201 HB VAL 27 HB VAL 27 6.864 0.506 -5.306 202 1HG1 VAL 27 1HG1 VAL 27 5.107 1.253 -2.920 203 2HG1 VAL 27 2HG1 VAL 27 4.661 1.500 -4.618 204 3HG1 VAL 27 3HG1 VAL 27 4.893 -0.140 -4.004 205 1HG2 VAL 27 3HG2 VAL 27 7.047 2.909 -3.431 206 2HG2 VAL 27 1HG2 VAL 27 8.138 2.552 -4.768 207 3HG2 VAL 27 2HG2 VAL 27 6.467 2.954 -5.121 208 H THR 28 H THR 28 8.170 -1.835 -4.816 209 HA THR 28 HA THR 28 6.186 -3.666 -3.962 210 HB THR 28 HB THR 28 8.858 -4.072 -5.382 211 HG1 THR 28 HG1 THR 28 7.582 -2.842 -6.587 212 1HG2 THR 28 3HG2 THR 28 6.523 -5.999 -5.059 213 2HG2 THR 28 1HG2 THR 28 7.824 -6.157 -6.262 214 3HG2 THR 28 2HG2 THR 28 8.204 -6.234 -4.539 215 H GLN 29 H GLN 29 9.691 -3.441 -3.021 216 HA GLN 29 HA GLN 29 9.404 -5.604 -1.142 217 1HB GLN 29 1HB GLN 29 11.596 -4.895 -0.256 218 2HB GLN 29 2HB GLN 29 11.564 -5.274 -1.976 219 1HG GLN 29 1HG GLN 29 11.841 -3.028 -2.611 220 2HG GLN 29 2HG GLN 29 11.523 -2.416 -0.977 221 1HE2 GLN 29 2HE2 GLN 29 15.298 -3.292 -1.996 222 2HE2 GLN 29 1HE2 GLN 29 14.028 -3.185 -3.194 223 H ALA 30 H ALA 30 9.494 -1.998 -0.636 224 HA ALA 30 HA ALA 30 9.276 -2.199 2.173 225 1HB ALA 30 2HB ALA 30 10.051 -0.155 1.017 226 2HB ALA 30 3HB ALA 30 8.413 0.112 0.385 227 3HB ALA 30 1HB ALA 30 8.712 0.186 2.129 228 H ALA 31 H ALA 31 6.717 -2.160 -0.347 229 HA ALA 31 HA ALA 31 4.574 -1.907 1.616 230 1HB ALA 31 2HB ALA 31 4.407 -1.091 -0.780 231 2HB ALA 31 3HB ALA 31 4.399 -2.783 -1.315 232 3HB ALA 31 1HB ALA 31 3.091 -2.164 -0.290 233 H SER 32 H SER 32 5.900 -4.689 -0.371 234 HA SER 32 HA SER 32 4.042 -6.564 0.842 235 1HB SER 32 1HB SER 32 5.627 -8.316 0.100 236 2HB SER 32 2HB SER 32 5.233 -7.176 -1.199 237 HG SER 32 HG SER 32 7.206 -6.227 -0.990 238 H GLN 33 H GLN 33 7.096 -5.224 1.998 239 HA GLN 33 HA GLN 33 6.773 -6.753 4.456 240 1HB GLN 33 1HB GLN 33 8.928 -4.839 3.569 241 2HB GLN 33 2HB GLN 33 8.861 -5.583 5.170 242 1HG GLN 33 1HG GLN 33 8.997 -7.112 2.527 243 2HG GLN 33 2HG GLN 33 10.321 -6.892 3.665 244 1HE2 GLN 33 2HE2 GLN 33 8.958 -9.192 6.159 245 2HE2 GLN 33 1HE2 GLN 33 10.116 -7.927 5.848 246 H VAL 34 H VAL 34 5.658 -3.569 3.401 247 HA VAL 34 HA VAL 34 5.347 -2.415 5.923 248 HB VAL 34 HB VAL 34 4.635 -1.437 3.646 249 1HG1 VAL 34 1HG1 VAL 34 2.521 -3.120 3.346 250 2HG1 VAL 34 2HG1 VAL 34 1.772 -1.913 4.333 251 3HG1 VAL 34 3HG1 VAL 34 2.513 -1.454 2.797 252 1HG2 VAL 34 1HG2 VAL 34 3.222 -0.950 6.220 253 2HG2 VAL 34 2HG2 VAL 34 4.630 -0.104 5.484 254 3HG2 VAL 34 3HG2 VAL 34 3.009 0.060 4.785 255 H CYS 35 H CYS 35 3.463 -4.789 4.168 256 HA CYS 35 HA CYS 35 1.341 -5.232 6.009 257 1HB CYS 35 1HB CYS 35 2.739 -7.170 4.097 258 2HB CYS 35 2HB CYS 35 1.111 -7.351 4.737 259 H ASP 36 H ASP 36 4.421 -6.887 5.402 260 HA ASP 36 HA ASP 36 4.193 -8.966 7.284 261 1HB ASP 36 1HB ASP 36 5.892 -8.499 5.415 262 2HB ASP 36 2HB ASP 36 6.792 -7.580 6.628 263 H LYS 37 H LYS 37 5.499 -5.754 7.644 264 HA LYS 37 HA LYS 37 6.322 -5.829 10.366 265 1HB LYS 37 1HB LYS 37 7.162 -4.505 8.382 266 2HB LYS 37 2HB LYS 37 5.741 -3.467 8.506 267 1HG LYS 37 1HG LYS 37 6.595 -2.635 10.690 268 2HG LYS 37 2HG LYS 37 7.960 -3.774 10.576 269 1HD LYS 37 1HD LYS 37 8.548 -2.701 8.331 270 2HD LYS 37 2HD LYS 37 7.317 -1.475 8.669 271 1HE LYS 37 1HE LYS 37 8.590 -0.792 10.701 272 2HE LYS 37 2HE LYS 37 9.781 -2.059 10.363 273 1HZ LYS 37 1HZ LYS 37 9.255 0.255 8.598 274 2HZ LYS 37 2HZ LYS 37 10.540 0.097 9.599 275 3HZ LYS 37 3HZ LYS 37 10.371 -0.920 8.329 276 H LEU 38 H LEU 38 3.368 -4.661 8.716 277 HA LEU 38 HA LEU 38 2.045 -3.637 11.115 278 1HB LEU 38 1HB LEU 38 1.102 -4.404 8.320 279 2HB LEU 38 2HB LEU 38 -0.018 -3.902 9.567 280 HG LEU 38 HG LEU 38 2.237 -2.069 8.678 281 1HD1 LEU 38 2HD1 LEU 38 0.897 -2.696 6.688 282 2HD1 LEU 38 3HD1 LEU 38 -0.597 -2.265 7.547 283 3HD1 LEU 38 1HD1 LEU 38 0.605 -1.018 7.145 284 1HD2 LEU 38 2HD2 LEU 38 -0.469 -1.539 9.986 285 2HD2 LEU 38 3HD2 LEU 38 1.126 -1.411 10.770 286 3HD2 LEU 38 1HD2 LEU 38 0.681 -0.303 9.465 287 H LYS 39 H LYS 39 2.395 -5.434 12.541 288 HA LYS 39 HA LYS 39 1.648 -8.075 11.685 289 1HB LYS 39 1HB LYS 39 2.091 -8.832 13.930 290 2HB LYS 39 2HB LYS 39 3.375 -7.782 13.383 291 1HG LYS 39 1HG LYS 39 1.133 -6.926 15.276 292 2HG LYS 39 2HG LYS 39 2.665 -7.586 15.808 293 1HD LYS 39 1HD LYS 39 2.269 -4.946 14.353 294 2HD LYS 39 2HD LYS 39 2.619 -5.160 16.049 295 1HE LYS 39 1HE LYS 39 4.505 -5.994 13.790 296 2HE LYS 39 2HE LYS 39 4.589 -4.465 14.655 297 1HZ LYS 39 3HZ LYS 39 5.007 -5.676 16.698 298 2HZ LYS 39 1HZ LYS 39 4.930 -7.120 15.914 299 3HZ LYS 39 2HZ LYS 39 6.128 -6.056 15.565 300 H ILE 40 H ILE 40 -0.043 -9.411 12.694 301 HA ILE 40 HA ILE 40 -2.180 -9.958 13.103 302 HB ILE 40 HB ILE 40 -2.750 -7.089 13.956 303 1HG1 ILE 40 1HG1 ILE 40 -1.099 -8.006 15.476 304 2HG1 ILE 40 2HG1 ILE 40 -2.661 -7.885 16.260 305 1HG2 ILE 40 1HG2 ILE 40 -4.420 -9.601 14.251 306 2HG2 ILE 40 2HG2 ILE 40 -4.748 -8.039 15.032 307 3HG2 ILE 40 3HG2 ILE 40 -4.784 -8.165 13.277 308 1HD1 ILE 40 3HD1 ILE 40 -2.999 -10.343 15.972 309 2HD1 ILE 40 1HD1 ILE 40 -1.393 -10.456 15.210 310 3HD1 ILE 40 2HD1 ILE 40 -1.543 -9.953 16.900 311 H LEU 41 H LEU 41 -2.046 -6.663 11.655 312 HA LEU 41 HA LEU 41 -4.151 -7.328 9.788 313 1HB LEU 41 1HB LEU 41 -3.652 -5.200 11.094 314 2HB LEU 41 2HB LEU 41 -2.361 -4.863 9.971 315 HG LEU 41 HG LEU 41 -4.755 -3.769 9.868 316 1HD1 LEU 41 1HD1 LEU 41 -2.931 -3.207 8.384 317 2HD1 LEU 41 2HD1 LEU 41 -3.326 -4.584 7.337 318 3HD1 LEU 41 3HD1 LEU 41 -4.488 -3.245 7.552 319 1HD2 LEU 41 2HD2 LEU 41 -6.066 -5.832 9.665 320 2HD2 LEU 41 3HD2 LEU 41 -6.321 -4.745 8.301 321 3HD2 LEU 41 1HD2 LEU 41 -5.289 -6.179 8.100 322 H ARG 42 H ARG 42 -1.082 -8.204 9.747 323 HA ARG 42 HA ARG 42 0.080 -8.094 7.175 324 1HB ARG 42 1HB ARG 42 0.967 -8.955 9.363 325 2HB ARG 42 2HB ARG 42 -0.059 -10.374 9.219 326 1HG ARG 42 1HG ARG 42 1.272 -11.170 7.307 327 2HG ARG 42 2HG ARG 42 2.203 -9.660 7.312 328 1HD ARG 42 1HD ARG 42 2.856 -10.164 9.725 329 2HD ARG 42 2HD ARG 42 2.054 -11.731 9.559 330 HE ARG 42 HE ARG 42 4.347 -11.022 7.755 331 1HH1 ARG 42 2HH2 ARG 42 3.289 -13.043 10.492 332 2HH1 ARG 42 1HH2 ARG 42 4.844 -13.783 10.640 333 1HH2 ARG 42 2HH1 ARG 42 6.264 -11.917 7.984 334 2HH2 ARG 42 1HH1 ARG 42 6.628 -13.144 9.149 335 H GLY 43 H GLY 43 -2.518 -10.248 8.467 336 1HA GLY 43 1HA GLY 43 -2.724 -11.940 6.213 337 2HA GLY 43 2HA GLY 43 -3.993 -11.636 7.403 338 H LEU 44 H LEU 44 -4.106 -8.626 6.660 339 HA LEU 44 HA LEU 44 -5.844 -9.048 4.308 340 1HB LEU 44 1HB LEU 44 -6.508 -7.619 6.415 341 2HB LEU 44 2HB LEU 44 -5.421 -6.407 5.741 342 HG LEU 44 HG LEU 44 -6.794 -6.814 3.503 343 1HD1 LEU 44 1HD1 LEU 44 -8.090 -8.769 4.360 344 2HD1 LEU 44 2HD1 LEU 44 -8.791 -7.736 5.624 345 3HD1 LEU 44 3HD1 LEU 44 -9.153 -7.423 3.921 346 1HD2 LEU 44 3HD2 LEU 44 -8.016 -5.341 5.870 347 2HD2 LEU 44 1HD2 LEU 44 -6.817 -4.690 4.723 348 3HD2 LEU 44 2HD2 LEU 44 -8.445 -5.100 4.163 349 H CYS 45 H CYS 45 -3.304 -6.621 5.246 350 HA CYS 45 HA CYS 45 -2.695 -5.623 2.878 351 1HB CYS 45 1HB CYS 45 -1.934 -5.037 5.164 352 2HB CYS 45 2HB CYS 45 -0.802 -6.366 5.131 353 H LYS 46 H LYS 46 -1.016 -8.632 4.116 354 HA LYS 46 HA LYS 46 0.660 -8.908 1.829 355 1HB LYS 46 1HB LYS 46 -0.510 -11.046 3.668 356 2HB LYS 46 2HB LYS 46 0.638 -11.401 2.405 357 1HG LYS 46 1HG LYS 46 1.261 -9.604 4.793 358 2HG LYS 46 2HG LYS 46 1.638 -11.318 4.651 359 1HD LYS 46 1HD LYS 46 2.883 -10.665 2.475 360 2HD LYS 46 2HD LYS 46 2.807 -9.013 3.105 361 1HE LYS 46 1HE LYS 46 4.036 -9.739 5.138 362 2HE LYS 46 2HE LYS 46 4.046 -11.407 4.568 363 1HZ LYS 46 1HZ LYS 46 5.429 -9.146 3.239 364 2HZ LYS 46 2HZ LYS 46 6.148 -10.223 4.179 365 3HZ LYS 46 3HZ LYS 46 5.512 -10.726 2.760 366 H LYS 47 H LYS 47 -2.750 -9.898 2.318 367 HA LYS 47 HA LYS 47 -2.816 -11.465 -0.129 368 1HB LYS 47 1HB LYS 47 -4.237 -11.979 1.764 369 2HB LYS 47 2HB LYS 47 -5.021 -10.392 1.684 370 1HG LYS 47 1HG LYS 47 -6.149 -10.912 -0.327 371 2HG LYS 47 2HG LYS 47 -5.084 -12.276 -0.684 372 1HD LYS 47 1HD LYS 47 -7.330 -12.974 0.021 373 2HD LYS 47 2HD LYS 47 -6.067 -13.643 1.037 374 1HE LYS 47 1HE LYS 47 -7.545 -11.109 1.857 375 2HE LYS 47 2HE LYS 47 -8.295 -12.693 2.063 376 1HZ LYS 47 1HZ LYS 47 -6.378 -13.361 3.401 377 2HZ LYS 47 2HZ LYS 47 -5.760 -11.835 3.353 378 3HZ LYS 47 3HZ LYS 47 -7.202 -12.116 4.066 379 H ILE 48 H ILE 48 -3.787 -8.113 0.783 380 HA ILE 48 HA ILE 48 -4.827 -7.355 -1.749 381 HB ILE 48 HB ILE 48 -3.490 -5.745 0.461 382 1HG1 ILE 48 1HG1 ILE 48 -6.424 -5.871 -0.378 383 2HG1 ILE 48 2HG1 ILE 48 -5.748 -6.926 0.854 384 1HG2 ILE 48 3HG2 ILE 48 -4.946 -4.675 -2.002 385 2HG2 ILE 48 1HG2 ILE 48 -4.403 -3.699 -0.622 386 3HG2 ILE 48 2HG2 ILE 48 -3.219 -4.479 -1.647 387 1HD1 ILE 48 2HD1 ILE 48 -5.123 -4.989 2.240 388 2HD1 ILE 48 3HD1 ILE 48 -5.843 -3.889 1.039 389 3HD1 ILE 48 1HD1 ILE 48 -6.864 -5.041 1.897 390 H MET 49 H MET 49 -1.439 -7.200 -0.495 391 HA MET 49 HA MET 49 -0.294 -6.054 -2.826 392 1HB MET 49 1HB MET 49 0.953 -7.978 -0.814 393 2HB MET 49 2HB MET 49 1.840 -7.051 -2.021 394 1HG MET 49 1HG MET 49 0.215 -5.939 0.275 395 2HG MET 49 2HG MET 49 1.967 -5.926 0.119 396 1HE MET 49 3HE MET 49 1.447 -3.349 1.003 397 2HE MET 49 1HE MET 49 0.573 -2.161 0.012 398 3HE MET 49 2HE MET 49 -0.308 -3.511 0.756 399 H ARG 50 H ARG 50 -0.700 -9.599 -2.058 400 HA ARG 50 HA ARG 50 0.435 -10.416 -4.557 401 1HB ARG 50 1HB ARG 50 -0.209 -11.833 -2.450 402 2HB ARG 50 2HB ARG 50 -1.814 -11.913 -3.153 403 1HG ARG 50 1HG ARG 50 0.781 -13.071 -4.237 404 2HG ARG 50 2HG ARG 50 -0.648 -13.936 -3.673 405 1HD ARG 50 1HD ARG 50 -1.895 -12.882 -5.661 406 2HD ARG 50 2HD ARG 50 -0.285 -12.371 -6.235 407 HE ARG 50 HE ARG 50 -0.237 -15.153 -5.730 408 1HH1 ARG 50 2HH2 ARG 50 -1.534 -12.760 -7.998 409 2HH1 ARG 50 1HH2 ARG 50 -1.622 -13.826 -9.350 410 1HH2 ARG 50 2HH1 ARG 50 -0.314 -16.630 -7.557 411 2HH2 ARG 50 1HH1 ARG 50 -0.888 -16.090 -9.080 412 H SER 51 H SER 51 -2.901 -9.509 -3.653 413 HA SER 51 HA SER 51 -4.159 -10.316 -6.038 414 1HB SER 51 1HB SER 51 -5.143 -9.712 -3.749 415 2HB SER 51 2HB SER 51 -5.052 -8.017 -4.249 416 HG SER 51 HG SER 51 -6.516 -8.465 -5.874 417 H PHE 52 H PHE 52 -2.939 -7.010 -5.119 418 HA PHE 52 HA PHE 52 -3.058 -6.297 -8.018 419 1HB PHE 52 1HB PHE 52 -3.955 -4.424 -5.817 420 2HB PHE 52 2HB PHE 52 -4.206 -4.292 -7.554 421 HD1 PHE 52 HD2 PHE 52 -5.571 -6.517 -8.540 422 HD2 PHE 52 HD1 PHE 52 -5.889 -4.794 -4.591 423 HE1 PHE 52 HE2 PHE 52 -7.838 -7.478 -8.297 424 HE2 PHE 52 HE1 PHE 52 -8.168 -5.749 -4.370 425 HZ PHE 52 HZ PHE 52 -9.143 -7.092 -6.216 426 H LEU 53 H LEU 53 -0.588 -7.018 -6.940 427 HA LEU 53 HA LEU 53 0.807 -5.119 -5.559 428 1HB LEU 53 1HB LEU 53 1.517 -7.507 -6.435 429 2HB LEU 53 2HB LEU 53 2.116 -6.663 -7.823 430 HG LEU 53 HG LEU 53 3.978 -6.945 -6.429 431 1HD1 LEU 53 3HD1 LEU 53 3.846 -4.544 -7.163 432 2HD1 LEU 53 1HD1 LEU 53 3.122 -4.145 -5.576 433 3HD1 LEU 53 2HD1 LEU 53 4.750 -4.787 -5.678 434 1HD2 LEU 53 1HD2 LEU 53 2.756 -7.643 -4.416 435 2HD2 LEU 53 2HD2 LEU 53 4.042 -6.486 -4.028 436 3HD2 LEU 53 3HD2 LEU 53 2.348 -5.944 -4.065 437 H ARG 54 H ARG 54 0.944 -5.391 -9.151 438 HA ARG 54 HA ARG 54 2.335 -3.001 -9.598 439 1HB ARG 54 1HB ARG 54 2.001 -4.680 -11.315 440 2HB ARG 54 2HB ARG 54 0.274 -4.324 -11.422 441 1HG ARG 54 1HG ARG 54 0.622 -2.219 -12.417 442 2HG ARG 54 2HG ARG 54 2.282 -2.102 -11.864 443 1HD ARG 54 1HD ARG 54 1.311 -4.046 -14.012 444 2HD ARG 54 2HD ARG 54 2.015 -2.464 -14.344 445 HE ARG 54 HE ARG 54 3.435 -4.870 -13.822 446 1HH1 ARG 54 2HH2 ARG 54 3.710 -1.322 -13.232 447 2HH1 ARG 54 1HH2 ARG 54 5.334 -1.501 -12.675 448 1HH2 ARG 54 2HH1 ARG 54 5.810 -4.863 -13.375 449 2HH2 ARG 54 1HH1 ARG 54 6.460 -3.314 -12.892 450 H ARG 55 H ARG 55 -1.170 -3.222 -8.684 451 HA ARG 55 HA ARG 55 -1.634 -0.558 -9.594 452 1HB ARG 55 1HB ARG 55 -3.115 -2.401 -7.682 453 2HB ARG 55 2HB ARG 55 -3.604 -0.803 -8.016 454 1HG ARG 55 1HG ARG 55 -3.504 -3.047 -10.036 455 2HG ARG 55 2HG ARG 55 -4.948 -2.461 -9.232 456 1HD ARG 55 1HD ARG 55 -3.299 -0.840 -11.213 457 2HD ARG 55 2HD ARG 55 -4.731 -1.764 -11.624 458 HE ARG 55 HE ARG 55 -4.579 0.801 -10.209 459 1HH1 ARG 55 2HH2 ARG 55 -6.852 -1.730 -11.296 460 2HH1 ARG 55 1HH2 ARG 55 -8.211 -0.664 -11.157 461 1HH2 ARG 55 2HH1 ARG 55 -6.421 2.152 -10.035 462 2HH2 ARG 55 1HH1 ARG 55 -7.947 1.594 -10.319 463 H ILE 56 H ILE 56 -0.765 -2.142 -6.401 464 HA ILE 56 HA ILE 56 -0.771 0.339 -4.960 465 HB ILE 56 HB ILE 56 0.401 -2.384 -4.473 466 1HG1 ILE 56 1HG1 ILE 56 -1.052 -2.327 -2.519 467 2HG1 ILE 56 2HG1 ILE 56 -1.417 -0.624 -2.773 468 1HG2 ILE 56 1HG2 ILE 56 0.986 0.065 -2.751 469 2HG2 ILE 56 2HG2 ILE 56 1.242 -1.618 -2.252 470 3HG2 ILE 56 3HG2 ILE 56 2.172 -0.958 -3.590 471 1HD1 ILE 56 1HD1 ILE 56 -2.295 -2.878 -4.605 472 2HD1 ILE 56 2HD1 ILE 56 -3.297 -2.083 -3.379 473 3HD1 ILE 56 3HD1 ILE 56 -2.736 -1.161 -4.772 474 H SER 57 H SER 57 1.677 -1.041 -7.157 475 HA SER 57 HA SER 57 3.674 0.888 -6.455 476 1HB SER 57 1HB SER 57 4.099 -1.208 -7.761 477 2HB SER 57 2HB SER 57 3.216 -0.508 -9.132 478 HG SER 57 HG SER 57 5.261 -0.035 -9.536 479 H TRP 58 H TRP 58 1.353 0.885 -9.260 480 HA TRP 58 HA TRP 58 1.738 3.495 -10.157 481 1HB TRP 58 1HB TRP 58 0.251 2.523 -11.556 482 2HB TRP 58 2HB TRP 58 -0.443 1.514 -10.306 483 HD1 TRP 58 HD1 TRP 58 -0.747 5.203 -11.469 484 HE1 TRP 58 HE1 TRP 58 -3.057 6.072 -10.930 485 HE3 TRP 58 HE3 TRP 58 -2.574 1.119 -9.089 486 HZ2 TRP 58 HZ2 TRP 58 -5.431 5.106 -9.409 487 HZ3 TRP 58 HZ3 TRP 58 -4.681 1.166 -7.910 488 HH2 TRP 58 HH2 TRP 58 -6.131 3.091 -7.995 489 H ASP 59 H ASP 59 -0.387 2.459 -7.517 490 HA ASP 59 HA ASP 59 -1.671 4.845 -6.908 491 1HB ASP 59 1HB ASP 59 -0.762 2.525 -5.126 492 2HB ASP 59 2HB ASP 59 -1.588 3.891 -4.460 493 HD2 ASP 59 HD2 ASP 59 -4.049 1.386 -5.776 494 H ILE 60 H ILE 60 1.331 3.622 -5.402 495 HA ILE 60 HA ILE 60 1.877 5.981 -3.868 496 HB ILE 60 HB ILE 60 3.290 3.415 -4.577 497 1HG1 ILE 60 1HG1 ILE 60 3.236 2.950 -2.275 498 2HG1 ILE 60 2HG1 ILE 60 2.881 4.620 -1.820 499 1HG2 ILE 60 2HG2 ILE 60 4.561 5.789 -3.166 500 2HG2 ILE 60 3HG2 ILE 60 5.170 4.126 -3.068 501 3HG2 ILE 60 1HG2 ILE 60 5.124 4.951 -4.632 502 1HD1 ILE 60 1HD1 ILE 60 0.916 2.722 -3.137 503 2HD1 ILE 60 2HD1 ILE 60 1.031 3.099 -1.413 504 3HD1 ILE 60 3HD1 ILE 60 0.578 4.376 -2.557 505 H LEU 61 H LEU 61 3.314 4.726 -6.938 506 HA LEU 61 HA LEU 61 5.113 6.827 -7.325 507 1HB LEU 61 1HB LEU 61 3.651 5.139 -9.385 508 2HB LEU 61 2HB LEU 61 5.018 6.180 -9.763 509 HG LEU 61 HG LEU 61 5.203 3.870 -7.781 510 1HD1 LEU 61 1HD1 LEU 61 4.602 3.034 -10.020 511 2HD1 LEU 61 2HD1 LEU 61 5.946 3.955 -10.739 512 3HD1 LEU 61 3HD1 LEU 61 6.263 2.618 -9.611 513 1HD2 LEU 61 1HD2 LEU 61 6.994 5.563 -7.512 514 2HD2 LEU 61 2HD2 LEU 61 7.606 4.029 -8.125 515 3HD2 LEU 61 3HD2 LEU 61 7.399 5.402 -9.231 516 H THR 62 H THR 62 1.660 6.744 -8.289 517 HA THR 62 HA THR 62 1.877 9.406 -9.535 518 HB THR 62 HB THR 62 -0.580 9.206 -9.844 519 HG1 THR 62 HG1 THR 62 -0.210 6.576 -8.828 520 1HG2 THR 62 2HG2 THR 62 1.028 8.479 -11.569 521 2HG2 THR 62 3HG2 THR 62 1.012 6.836 -10.900 522 3HG2 THR 62 1HG2 THR 62 -0.469 7.541 -11.600 523 H GLY 63 H GLY 63 2.354 8.760 -6.530 524 1HA GLY 63 1HA GLY 63 1.904 9.496 -4.465 525 2HA GLY 63 2HA GLY 63 1.880 11.080 -5.256 526 H LYS 64 H LYS 64 -0.502 8.311 -5.384 527 HA LYS 64 HA LYS 64 -2.588 10.351 -5.128 528 1HB LYS 64 1HB LYS 64 -2.669 8.434 -6.756 529 2HB LYS 64 2HB LYS 64 -2.820 7.306 -5.404 530 1HG LYS 64 1HG LYS 64 -4.949 8.356 -4.736 531 2HG LYS 64 2HG LYS 64 -4.766 9.596 -5.974 532 1HD LYS 64 1HD LYS 64 -5.131 6.614 -6.537 533 2HD LYS 64 2HD LYS 64 -6.408 7.833 -6.547 534 1HE LYS 64 1HE LYS 64 -4.658 9.033 -8.253 535 2HE LYS 64 2HE LYS 64 -4.200 7.349 -8.525 536 1HZ LYS 64 3HZ LYS 64 -6.602 6.914 -9.020 537 2HZ LYS 64 1HZ LYS 64 -6.934 8.478 -8.843 538 3HZ LYS 64 2HZ LYS 64 -5.945 7.991 -10.059 539 H LYS 65 H LYS 65 -4.031 10.419 -3.373 540 HA LYS 65 HA LYS 65 -2.656 9.757 -0.868 541 1HB LYS 65 1HB LYS 65 -5.157 11.284 -1.564 542 2HB LYS 65 2HB LYS 65 -4.867 10.846 0.100 543 1HG LYS 65 1HG LYS 65 -4.046 13.157 -0.996 544 2HG LYS 65 2HG LYS 65 -3.300 12.434 0.405 545 1HD LYS 65 1HD LYS 65 -2.151 12.041 -2.396 546 2HD LYS 65 2HD LYS 65 -1.788 13.421 -1.396 547 1HE LYS 65 1HE LYS 65 -0.277 12.354 -0.175 548 2HE LYS 65 2HE LYS 65 -1.412 11.087 0.255 549 1HZ LYS 65 3HZ LYS 65 -0.798 9.942 -1.824 550 2HZ LYS 65 1HZ LYS 65 0.358 11.086 -2.106 551 3HZ LYS 65 2HZ LYS 65 0.368 10.103 -0.737 552 HA PRO 66 HA PRO 66 -4.050 5.909 0.152 553 1HB PRO 66 1HB PRO 66 -4.674 6.020 2.860 554 2HB PRO 66 2HB PRO 66 -3.024 6.043 2.185 555 1HG PRO 66 1HG PRO 66 -4.694 8.436 2.983 556 2HG PRO 66 2HG PRO 66 -2.980 8.076 3.363 557 1HD PRO 66 1HD PRO 66 -3.498 9.704 1.364 558 2HD PRO 66 2HD PRO 66 -2.278 8.407 1.138 559 H GLN 67 H GLN 67 -6.401 8.112 1.801 560 HA GLN 67 HA GLN 67 -8.479 6.181 1.695 561 1HB GLN 67 1HB GLN 67 -8.216 8.269 3.152 562 2HB GLN 67 2HB GLN 67 -8.889 9.196 1.806 563 1HG GLN 67 1HG GLN 67 -10.987 7.993 1.939 564 2HG GLN 67 2HG GLN 67 -10.293 6.769 3.013 565 1HE2 GLN 67 2HE2 GLN 67 -12.089 9.813 4.791 566 2HE2 GLN 67 1HE2 GLN 67 -12.415 9.281 3.159 567 H ALA 68 H ALA 68 -7.291 8.379 -0.790 568 HA ALA 68 HA ALA 68 -9.656 8.084 -2.488 569 1HB ALA 68 2HB ALA 68 -8.285 10.146 -2.583 570 2HB ALA 68 3HB ALA 68 -6.871 9.189 -3.095 571 3HB ALA 68 1HB ALA 68 -8.301 9.295 -4.138 572 H ILE 69 H ILE 69 -6.371 6.609 -2.166 573 HA ILE 69 HA ILE 69 -6.445 4.969 -4.475 574 HB ILE 69 HB ILE 69 -5.120 4.692 -1.748 575 1HG1 ILE 69 1HG1 ILE 69 -3.885 5.117 -4.478 576 2HG1 ILE 69 2HG1 ILE 69 -4.412 6.431 -3.509 577 1HG2 ILE 69 3HG2 ILE 69 -5.064 2.718 -4.042 578 2HG2 ILE 69 1HG2 ILE 69 -3.782 2.781 -2.815 579 3HG2 ILE 69 2HG2 ILE 69 -5.433 2.406 -2.340 580 1HD1 ILE 69 1HD1 ILE 69 -2.400 4.412 -2.445 581 2HD1 ILE 69 2HD1 ILE 69 -1.961 5.877 -3.328 582 3HD1 ILE 69 3HD1 ILE 69 -2.833 6.005 -1.794 583 H CYS 70 H CYS 70 -7.582 4.231 -1.161 584 HA CYS 70 HA CYS 70 -8.832 1.702 -1.639 585 1HB CYS 70 1HB CYS 70 -9.734 3.988 0.211 586 2HB CYS 70 2HB CYS 70 -10.036 2.277 0.452 587 H VAL 71 H VAL 71 -10.176 5.039 -2.380 588 HA VAL 71 HA VAL 71 -12.752 3.809 -3.073 589 HB VAL 71 HB VAL 71 -11.558 6.549 -3.627 590 1HG1 VAL 71 3HG1 VAL 71 -14.386 5.562 -4.227 591 2HG1 VAL 71 1HG1 VAL 71 -13.824 7.239 -4.345 592 3HG1 VAL 71 2HG1 VAL 71 -13.172 6.011 -5.434 593 1HG2 VAL 71 3HG2 VAL 71 -12.190 6.062 -1.244 594 2HG2 VAL 71 1HG2 VAL 71 -13.220 7.298 -1.973 595 3HG2 VAL 71 2HG2 VAL 71 -13.828 5.644 -1.788 596 H ASP 72 H ASP 72 -9.886 4.996 -4.965 597 HA ASP 72 HA ASP 72 -10.788 4.460 -7.508 598 1HB ASP 72 1HB ASP 72 -8.742 5.694 -6.760 599 2HB ASP 72 2HB ASP 72 -7.932 4.157 -6.497 600 H ILE 73 H ILE 73 -8.956 2.145 -5.473 601 HA ILE 73 HA ILE 73 -9.421 0.026 -7.512 602 HB ILE 73 HB ILE 73 -7.930 -1.364 -6.031 603 1HG1 ILE 73 1HG1 ILE 73 -6.930 1.218 -4.861 604 2HG1 ILE 73 2HG1 ILE 73 -8.301 0.427 -4.059 605 1HG2 ILE 73 2HG2 ILE 73 -6.864 1.122 -7.301 606 2HG2 ILE 73 3HG2 ILE 73 -5.915 -0.343 -6.875 607 3HG2 ILE 73 1HG2 ILE 73 -7.210 -0.436 -8.079 608 1HD1 ILE 73 2HD1 ILE 73 -6.906 -1.664 -3.975 609 2HD1 ILE 73 3HD1 ILE 73 -5.537 -0.669 -4.530 610 3HD1 ILE 73 1HD1 ILE 73 -6.350 -0.293 -2.979 611 H LYS 74 H LYS 74 -11.245 1.240 -5.249 612 HA LYS 74 HA LYS 74 -13.138 0.854 -4.354 613 1HB LYS 74 1HB LYS 74 -13.611 0.128 -6.652 614 2HB LYS 74 2HB LYS 74 -13.403 -1.561 -6.128 615 1HG LYS 74 1HG LYS 74 -15.071 -1.134 -4.348 616 2HG LYS 74 2HG LYS 74 -15.399 0.463 -4.958 617 1HD LYS 74 1HD LYS 74 -15.640 -1.831 -6.882 618 2HD LYS 74 2HD LYS 74 -16.872 -1.688 -5.638 619 1HE LYS 74 1HE LYS 74 -17.659 -0.624 -7.677 620 2HE LYS 74 2HE LYS 74 -17.439 0.566 -6.395 621 1HZ LYS 74 1HZ LYS 74 -15.332 1.181 -7.388 622 2HZ LYS 74 2HZ LYS 74 -15.677 0.260 -8.752 623 3HZ LYS 74 3HZ LYS 74 -16.594 1.558 -8.186 624 H ILE 75 H ILE 75 -12.211 0.633 -2.452 625 HA ILE 75 HA ILE 75 -12.311 -2.031 -1.075 626 HB ILE 75 HB ILE 75 -10.668 0.462 -0.368 627 1HG1 ILE 75 1HG1 ILE 75 -9.868 -0.213 -2.602 628 2HG1 ILE 75 2HG1 ILE 75 -8.661 -0.418 -1.354 629 1HG2 ILE 75 2HG2 ILE 75 -10.696 -2.428 0.496 630 2HG2 ILE 75 3HG2 ILE 75 -9.209 -1.514 0.623 631 3HG2 ILE 75 1HG2 ILE 75 -10.648 -0.945 1.484 632 1HD1 ILE 75 3HD1 ILE 75 -10.349 -2.678 -2.358 633 2HD1 ILE 75 1HD1 ILE 75 -8.804 -2.173 -3.079 634 3HD1 ILE 75 2HD1 ILE 75 -8.832 -2.732 -1.385 635 H CYS 76 H CYS 76 -13.539 1.212 -1.280 636 HA CYS 76 HA CYS 76 -14.308 1.310 1.587 637 1HB CYS 76 1HB CYS 76 -12.646 3.025 0.512 638 2HB CYS 76 2HB CYS 76 -14.069 3.663 -0.297 639 H LYS 77 H LYS 77 -16.115 3.585 0.882 640 HA LYS 77 HA LYS 77 -18.373 2.197 -0.361 641 1HB LYS 77 1HB LYS 77 -19.045 2.339 1.962 642 2HB LYS 77 2HB LYS 77 -18.478 4.006 2.102 643 1HG LYS 77 1HG LYS 77 -20.439 3.606 -0.111 644 2HG LYS 77 2HG LYS 77 -21.086 3.172 1.455 645 1HD LYS 77 1HD LYS 77 -20.901 5.319 2.334 646 2HD LYS 77 2HD LYS 77 -19.707 5.862 1.179 647 1HE LYS 77 1HE LYS 77 -22.583 5.236 0.404 648 2HE LYS 77 2HE LYS 77 -22.023 6.830 0.927 649 1HZ LYS 77 3HZ LYS 77 -20.414 6.739 -1.023 650 2HZ LYS 77 1HZ LYS 77 -21.068 5.415 -1.514 651 3HZ LYS 77 2HZ LYS 77 -21.984 6.756 -1.470 652 H GLU 78 H GLU 78 -17.639 3.027 -2.306 653 HA GLU 78 HA GLU 78 -16.877 5.780 -2.751 654 1HB GLU 78 1HB GLU 78 -18.418 4.090 -4.746 655 2HB GLU 78 2HB GLU 78 -17.156 5.282 -5.027 656 1HG GLU 78 1HG GLU 78 -15.496 3.547 -4.074 657 2HG GLU 78 2HG GLU 78 -16.833 2.398 -4.093 No H/Q in entry = 657 Start of MODEL 13 1 1H GLY 1 2H GLY 1 -16.924 0.202 4.108 2 2H GLY 1 3H GLY 1 -18.476 -0.323 4.335 3 3H GLY 1 1H GLY 1 -17.742 0.641 5.460 4 1HA GLY 1 1HA GLY 1 -17.776 -1.622 6.254 5 2HA GLY 1 2HA GLY 1 -16.944 -2.102 4.762 6 H TYR 2 H TYR 2 -15.972 -2.497 7.481 7 HA TYR 2 HA TYR 2 -13.909 -1.056 8.505 8 1HB TYR 2 1HB TYR 2 -14.573 -3.205 9.346 9 2HB TYR 2 2HB TYR 2 -14.235 -3.993 7.812 10 HD1 TYR 2 HD1 TYR 2 -12.112 -1.716 10.007 11 HD2 TYR 2 HD2 TYR 2 -12.582 -5.592 8.135 12 HE1 TYR 2 HE1 TYR 2 -9.838 -2.324 10.685 13 HE2 TYR 2 HE2 TYR 2 -10.290 -6.200 8.829 14 HH TYR 2 HH TYR 2 -8.086 -3.777 9.988 15 H PHE 3 H PHE 3 -13.704 -2.936 5.484 16 HA PHE 3 HA PHE 3 -11.161 -2.838 4.779 17 1HB PHE 3 1HB PHE 3 -13.639 -2.307 3.137 18 2HB PHE 3 2HB PHE 3 -12.058 -2.279 2.407 19 HD1 PHE 3 HD2 PHE 3 -10.451 -4.251 2.803 20 HD2 PHE 3 HD1 PHE 3 -14.744 -4.451 3.268 21 HE1 PHE 3 HE2 PHE 3 -10.388 -6.719 2.472 22 HE2 PHE 3 HE1 PHE 3 -14.653 -6.908 2.957 23 HZ PHE 3 HZ PHE 3 -12.484 -8.028 2.559 24 H CYS 4 H CYS 4 -13.144 0.226 4.489 25 HA CYS 4 HA CYS 4 -11.053 1.494 3.034 26 1HB CYS 4 1HB CYS 4 -13.448 2.394 3.321 27 2HB CYS 4 2HB CYS 4 -12.882 3.079 4.845 28 H GLU 5 H GLU 5 -11.567 1.249 6.574 29 HA GLU 5 HA GLU 5 -9.629 3.229 7.350 30 1HB GLU 5 1HB GLU 5 -11.435 2.347 8.816 31 2HB GLU 5 2HB GLU 5 -10.718 0.745 8.795 32 1HG GLU 5 1HG GLU 5 -9.457 3.251 9.968 33 2HG GLU 5 2HG GLU 5 -10.271 1.986 10.882 34 H SER 6 H SER 6 -9.518 -0.353 7.418 35 HA SER 6 HA SER 6 -6.725 -0.325 7.878 36 1HB SER 6 1HB SER 6 -8.691 -2.486 7.254 37 2HB SER 6 2HB SER 6 -6.944 -2.817 7.241 38 HG SER 6 HG SER 6 -8.007 -1.281 9.383 39 H CYS 7 H CYS 7 -8.447 -0.464 4.749 40 HA CYS 7 HA CYS 7 -6.138 -0.999 3.137 41 1HB CYS 7 1HB CYS 7 -8.341 -1.118 2.214 42 2HB CYS 7 2HB CYS 7 -8.698 0.557 2.636 43 H ARG 8 H ARG 8 -7.584 2.113 4.343 44 HA ARG 8 HA ARG 8 -5.638 3.807 3.218 45 1HB ARG 8 1HB ARG 8 -7.798 4.572 4.285 46 2HB ARG 8 2HB ARG 8 -7.117 4.181 5.866 47 1HG ARG 8 1HG ARG 8 -5.173 5.797 5.135 48 2HG ARG 8 2HG ARG 8 -6.351 6.391 3.961 49 1HD ARG 8 1HD ARG 8 -7.843 7.099 5.718 50 2HD ARG 8 2HD ARG 8 -6.905 6.236 6.942 51 HE ARG 8 HE ARG 8 -4.971 7.740 6.377 52 1HH1 ARG 8 2HH2 ARG 8 -8.293 9.083 5.957 53 2HH1 ARG 8 1HH2 ARG 8 -7.785 10.647 6.449 54 1HH2 ARG 8 2HH1 ARG 8 -4.343 9.724 6.802 55 2HH2 ARG 8 1HH1 ARG 8 -5.434 11.069 6.928 56 H LYS 9 H LYS 9 -5.692 2.220 6.456 57 HA LYS 9 HA LYS 9 -3.223 3.149 7.416 58 1HB LYS 9 1HB LYS 9 -4.985 2.051 8.727 59 2HB LYS 9 2HB LYS 9 -4.704 0.535 7.875 60 1HG LYS 9 1HG LYS 9 -2.455 0.358 8.829 61 2HG LYS 9 2HG LYS 9 -2.690 1.881 9.712 62 1HD LYS 9 1HD LYS 9 -4.570 -0.505 9.981 63 2HD LYS 9 2HD LYS 9 -3.124 -0.346 10.986 64 1HE LYS 9 1HE LYS 9 -3.974 1.383 12.241 65 2HE LYS 9 2HE LYS 9 -4.908 2.050 10.893 66 1HZ LYS 9 1HZ LYS 9 -5.776 -0.421 12.251 67 2HZ LYS 9 2HZ LYS 9 -6.295 1.116 12.618 68 3HZ LYS 9 3HZ LYS 9 -6.578 0.549 11.155 69 H ILE 10 H ILE 10 -3.898 0.272 5.382 70 HA ILE 10 HA ILE 10 -1.248 -0.764 5.421 71 HB ILE 10 HB ILE 10 -3.580 -1.182 3.548 72 1HG1 ILE 10 1HG1 ILE 10 -2.176 -3.153 5.414 73 2HG1 ILE 10 2HG1 ILE 10 -3.415 -2.072 6.015 74 1HG2 ILE 10 2HG2 ILE 10 -0.860 -2.576 3.444 75 2HG2 ILE 10 3HG2 ILE 10 -2.308 -3.113 2.568 76 3HG2 ILE 10 1HG2 ILE 10 -1.573 -1.565 2.172 77 1HD1 ILE 10 3HD1 ILE 10 -5.057 -3.001 4.412 78 2HD1 ILE 10 1HD1 ILE 10 -3.830 -4.146 3.830 79 3HD1 ILE 10 2HD1 ILE 10 -4.393 -4.232 5.501 80 H ILE 11 H ILE 11 -2.820 1.485 3.004 81 HA ILE 11 HA ILE 11 -0.299 1.792 1.638 82 HB ILE 11 HB ILE 11 -2.821 3.432 1.563 83 1HG1 ILE 11 1HG1 ILE 11 -1.859 2.670 -1.022 84 2HG1 ILE 11 2HG1 ILE 11 -1.518 1.274 -0.022 85 1HG2 ILE 11 2HG2 ILE 11 -0.169 4.090 0.198 86 2HG2 ILE 11 3HG2 ILE 11 -1.727 4.848 -0.180 87 3HG2 ILE 11 1HG2 ILE 11 -0.981 5.101 1.384 88 1HD1 ILE 11 2HD1 ILE 11 -4.208 2.650 -0.281 89 2HD1 ILE 11 3HD1 ILE 11 -3.704 1.137 -1.080 90 3HD1 ILE 11 1HD1 ILE 11 -3.859 1.191 0.691 91 H GLN 12 H GLN 12 -1.854 3.776 4.254 92 HA GLN 12 HA GLN 12 -0.005 5.834 4.297 93 1HB GLN 12 1HB GLN 12 -1.440 4.522 6.633 94 2HB GLN 12 2HB GLN 12 -0.518 6.010 6.797 95 1HG GLN 12 1HG GLN 12 -2.606 5.969 4.649 96 2HG GLN 12 2HG GLN 12 -3.162 5.916 6.314 97 1HE2 GLN 12 2HE2 GLN 12 -1.023 9.332 5.320 98 2HE2 GLN 12 1HE2 GLN 12 -0.607 7.899 4.450 99 H LYS 13 H LYS 13 0.331 2.706 6.090 100 HA LYS 13 HA LYS 13 2.842 3.581 7.202 101 1HB LYS 13 1HB LYS 13 1.328 1.716 8.116 102 2HB LYS 13 2HB LYS 13 1.859 0.719 6.766 103 1HG LYS 13 1HG LYS 13 3.102 0.037 8.667 104 2HG LYS 13 2HG LYS 13 4.227 0.877 7.634 105 1HD LYS 13 1HD LYS 13 3.046 2.787 9.519 106 2HD LYS 13 2HD LYS 13 3.551 1.347 10.391 107 1HE LYS 13 1HE LYS 13 5.405 2.840 10.437 108 2HE LYS 13 2HE LYS 13 5.835 1.555 9.287 109 1HZ LYS 13 2HZ LYS 13 5.207 3.120 7.487 110 2HZ LYS 13 3HZ LYS 13 4.871 4.283 8.637 111 3HZ LYS 13 1HZ LYS 13 6.331 3.832 8.442 112 H LEU 14 H LEU 14 2.012 2.144 4.099 113 HA LEU 14 HA LEU 14 4.702 1.218 3.463 114 1HB LEU 14 1HB LEU 14 2.326 0.538 2.396 115 2HB LEU 14 2HB LEU 14 2.558 1.968 1.442 116 HG LEU 14 HG LEU 14 4.242 -0.537 1.488 117 1HD1 LEU 14 2HD1 LEU 14 2.166 -0.542 0.177 118 2HD1 LEU 14 3HD1 LEU 14 2.701 0.908 -0.697 119 3HD1 LEU 14 1HD1 LEU 14 3.584 -0.605 -0.895 120 1HD2 LEU 14 1HD2 LEU 14 4.980 2.032 0.061 121 2HD2 LEU 14 2HD2 LEU 14 5.928 1.161 1.291 122 3HD2 LEU 14 3HD2 LEU 14 5.670 0.433 -0.289 123 H GLU 15 H GLU 15 2.602 3.940 2.605 124 HA GLU 15 HA GLU 15 4.189 5.495 0.946 125 1HB GLU 15 1HB GLU 15 1.733 5.581 1.302 126 2HB GLU 15 2HB GLU 15 1.960 6.050 2.972 127 1HG GLU 15 1HG GLU 15 2.787 8.261 2.258 128 2HG GLU 15 2HG GLU 15 2.553 7.784 0.568 129 H ASP 16 H ASP 16 3.752 5.710 4.477 130 HA ASP 16 HA ASP 16 5.647 7.723 5.073 131 1HB ASP 16 1HB ASP 16 4.018 7.001 6.662 132 2HB ASP 16 2HB ASP 16 4.387 5.306 6.398 133 H MET 17 H MET 17 6.140 4.183 4.756 134 HA MET 17 HA MET 17 8.917 4.372 5.572 135 1HB MET 17 1HB MET 17 7.173 2.187 4.386 136 2HB MET 17 2HB MET 17 8.923 1.967 4.518 137 1HG MET 17 1HG MET 17 8.925 2.101 6.849 138 2HG MET 17 2HG MET 17 7.349 2.864 6.913 139 1HE MET 17 2HE MET 17 9.057 -0.513 5.646 140 2HE MET 17 3HE MET 17 7.633 -1.584 5.610 141 3HE MET 17 1HE MET 17 7.729 -0.211 4.504 142 H VAL 18 H VAL 18 7.325 3.915 2.351 143 HA VAL 18 HA VAL 18 9.874 3.719 1.013 144 HB VAL 18 HB VAL 18 7.628 2.682 0.371 145 1HG1 VAL 18 3HG1 VAL 18 6.275 4.755 0.362 146 2HG1 VAL 18 1HG1 VAL 18 7.155 5.276 -1.078 147 3HG1 VAL 18 2HG1 VAL 18 6.179 3.799 -1.138 148 1HG2 VAL 18 3HG2 VAL 18 9.628 3.855 -1.515 149 2HG2 VAL 18 1HG2 VAL 18 9.405 2.204 -0.932 150 3HG2 VAL 18 2HG2 VAL 18 8.259 2.876 -2.098 151 H GLY 19 H GLY 19 7.746 6.316 1.982 152 1HA GLY 19 1HA GLY 19 8.172 8.500 2.176 153 2HA GLY 19 2HA GLY 19 9.635 8.376 1.176 154 HA PRO 20 HA PRO 20 5.837 9.854 -1.143 155 1HB PRO 20 1HB PRO 20 6.188 12.585 -1.356 156 2HB PRO 20 2HB PRO 20 5.500 11.789 0.089 157 1HG PRO 20 1HG PRO 20 8.392 12.615 -0.364 158 2HG PRO 20 2HG PRO 20 7.352 12.961 1.052 159 1HD PRO 20 1HD PRO 20 9.114 10.875 1.000 160 2HD PRO 20 2HD PRO 20 7.532 10.743 1.827 161 H GLN 21 H GLN 21 8.899 9.624 -2.012 162 HA GLN 21 HA GLN 21 8.206 9.972 -4.874 163 1HB GLN 21 1HB GLN 21 10.802 11.160 -3.825 164 2HB GLN 21 2HB GLN 21 10.323 10.978 -5.503 165 1HG GLN 21 1HG GLN 21 9.824 13.180 -5.196 166 2HG GLN 21 2HG GLN 21 8.254 12.451 -4.887 167 1HE2 GLN 21 2HE2 GLN 21 10.371 13.907 -1.630 168 2HE2 GLN 21 1HE2 GLN 21 11.259 13.034 -2.874 169 HA PRO 22 HA PRO 22 10.614 6.132 -4.089 170 1HB PRO 22 1HB PRO 22 8.770 4.245 -3.974 171 2HB PRO 22 2HB PRO 22 8.799 5.519 -2.712 172 1HG PRO 22 1HG PRO 22 7.042 5.463 -5.198 173 2HG PRO 22 2HG PRO 22 6.555 5.628 -3.481 174 1HD PRO 22 1HD PRO 22 7.071 7.798 -5.161 175 2HD PRO 22 2HD PRO 22 7.250 7.834 -3.382 176 H ASN 23 H ASN 23 10.347 3.877 -5.435 177 HA ASN 23 HA ASN 23 9.478 4.265 -8.213 178 1HB ASN 23 1HB ASN 23 11.481 3.287 -9.121 179 2HB ASN 23 2HB ASN 23 11.926 4.707 -8.175 180 1HD2 ASN 23 2HD2 ASN 23 13.676 1.256 -7.190 181 2HD2 ASN 23 1HD2 ASN 23 12.912 1.498 -8.746 182 H GLU 24 H GLU 24 8.999 2.201 -9.180 183 HA GLU 24 HA GLU 24 7.324 0.557 -7.904 184 1HB GLU 24 1HB GLU 24 7.469 0.658 -10.286 185 2HB GLU 24 2HB GLU 24 9.145 0.200 -10.270 186 1HG GLU 24 1HG GLU 24 8.143 -1.646 -11.175 187 2HG GLU 24 2HG GLU 24 8.428 -2.160 -9.533 188 H ASP 25 H ASP 25 10.857 -0.179 -8.014 189 HA ASP 25 HA ASP 25 10.452 -2.792 -6.801 190 1HB ASP 25 1HB ASP 25 12.495 -2.423 -8.076 191 2HB ASP 25 2HB ASP 25 12.991 -1.129 -6.963 192 H THR 26 H THR 26 11.754 0.359 -5.536 193 HA THR 26 HA THR 26 11.965 -0.458 -2.929 194 HB THR 26 HB THR 26 11.318 2.363 -3.842 195 HG1 THR 26 HG1 THR 26 13.172 2.302 -4.792 196 1HG2 THR 26 3HG2 THR 26 11.529 1.981 -1.326 197 2HG2 THR 26 1HG2 THR 26 13.144 1.324 -1.613 198 3HG2 THR 26 2HG2 THR 26 12.795 3.022 -1.994 199 H VAL 27 H VAL 27 9.049 0.747 -4.598 200 HA VAL 27 HA VAL 27 7.391 0.814 -2.221 201 HB VAL 27 HB VAL 27 6.473 0.262 -5.081 202 1HG1 VAL 27 1HG1 VAL 27 4.977 1.201 -2.584 203 2HG1 VAL 27 2HG1 VAL 27 4.288 1.185 -4.213 204 3HG1 VAL 27 3HG1 VAL 27 4.743 -0.337 -3.444 205 1HG2 VAL 27 3HG2 VAL 27 7.615 2.483 -4.909 206 2HG2 VAL 27 1HG2 VAL 27 5.897 2.622 -5.251 207 3HG2 VAL 27 2HG2 VAL 27 6.498 2.936 -3.608 208 H THR 28 H THR 28 8.172 -1.798 -4.576 209 HA THR 28 HA THR 28 6.448 -3.748 -3.423 210 HB THR 28 HB THR 28 8.923 -3.986 -5.187 211 HG1 THR 28 HG1 THR 28 7.412 -2.998 -6.310 212 1HG2 THR 28 3HG2 THR 28 6.867 -6.063 -4.353 213 2HG2 THR 28 1HG2 THR 28 7.910 -6.209 -5.796 214 3HG2 THR 28 2HG2 THR 28 8.634 -6.141 -4.185 215 H GLN 29 H GLN 29 10.022 -3.176 -2.898 216 HA GLN 29 HA GLN 29 10.082 -5.279 -0.927 217 1HB GLN 29 1HB GLN 29 12.286 -4.405 -0.265 218 2HB GLN 29 2HB GLN 29 12.126 -4.855 -1.958 219 1HG GLN 29 1HG GLN 29 12.145 -2.610 -2.694 220 2HG GLN 29 2HG GLN 29 11.931 -1.966 -1.052 221 1HE2 GLN 29 2HE2 GLN 29 15.663 -2.628 -2.407 222 2HE2 GLN 29 1HE2 GLN 29 14.273 -2.711 -3.476 223 H ALA 30 H ALA 30 9.665 -1.691 -0.610 224 HA ALA 30 HA ALA 30 9.573 -1.644 2.213 225 1HB ALA 30 3HB ALA 30 9.673 0.408 0.881 226 2HB ALA 30 1HB ALA 30 8.048 0.093 0.232 227 3HB ALA 30 2HB ALA 30 8.270 0.437 1.961 228 H ALA 31 H ALA 31 7.002 -2.405 -0.179 229 HA ALA 31 HA ALA 31 4.917 -2.800 1.699 230 1HB ALA 31 3HB ALA 31 4.516 -2.607 -0.755 231 2HB ALA 31 1HB ALA 31 5.291 -4.174 -1.022 232 3HB ALA 31 2HB ALA 31 3.794 -4.081 -0.086 233 H SER 32 H SER 32 7.348 -5.177 0.362 234 HA SER 32 HA SER 32 6.324 -7.448 1.719 235 1HB SER 32 1HB SER 32 8.392 -8.488 1.376 236 2HB SER 32 2HB SER 32 8.251 -7.351 0.030 237 HG SER 32 HG SER 32 9.631 -5.912 1.298 238 H GLN 33 H GLN 33 8.193 -4.741 3.003 239 HA GLN 33 HA GLN 33 8.207 -5.860 5.715 240 1HB GLN 33 1HB GLN 33 9.215 -3.317 4.416 241 2HB GLN 33 2HB GLN 33 9.042 -3.387 6.161 242 1HG GLN 33 1HG GLN 33 10.642 -5.456 4.585 243 2HG GLN 33 2HG GLN 33 11.341 -3.961 5.232 244 1HE2 GLN 33 2HE2 GLN 33 10.886 -7.028 7.784 245 2HE2 GLN 33 1HE2 GLN 33 10.896 -7.190 6.037 246 H VAL 34 H VAL 34 6.199 -3.540 3.838 247 HA VAL 34 HA VAL 34 5.074 -2.250 6.010 248 HB VAL 34 HB VAL 34 4.726 -1.720 3.564 249 1HG1 VAL 34 3HG1 VAL 34 3.278 -3.828 2.910 250 2HG1 VAL 34 1HG1 VAL 34 2.016 -2.988 3.783 251 3HG1 VAL 34 2HG1 VAL 34 2.773 -2.215 2.399 252 1HG2 VAL 34 2HG2 VAL 34 2.643 -1.428 5.682 253 2HG2 VAL 34 3HG2 VAL 34 4.010 -0.344 5.238 254 3HG2 VAL 34 1HG2 VAL 34 2.617 -0.548 4.150 255 H CYS 35 H CYS 35 4.173 -5.282 4.381 256 HA CYS 35 HA CYS 35 1.983 -5.928 6.126 257 1HB CYS 35 1HB CYS 35 3.635 -7.777 4.371 258 2HB CYS 35 2HB CYS 35 2.086 -8.144 5.138 259 H ASP 36 H ASP 36 5.503 -7.033 6.191 260 HA ASP 36 HA ASP 36 5.048 -8.704 8.429 261 1HB ASP 36 1HB ASP 36 7.225 -8.870 7.442 262 2HB ASP 36 2HB ASP 36 7.591 -7.173 7.854 263 H LYS 37 H LYS 37 5.785 -5.257 8.280 264 HA LYS 37 HA LYS 37 6.049 -4.906 11.106 265 1HB LYS 37 1HB LYS 37 7.064 -3.687 9.113 266 2HB LYS 37 2HB LYS 37 5.552 -2.780 8.975 267 1HG LYS 37 1HG LYS 37 5.944 -1.838 11.231 268 2HG LYS 37 2HG LYS 37 7.369 -2.870 11.424 269 1HD LYS 37 1HD LYS 37 7.005 -0.523 9.548 270 2HD LYS 37 2HD LYS 37 8.168 -0.677 10.852 271 1HE LYS 37 1HE LYS 37 8.184 -2.172 8.188 272 2HE LYS 37 2HE LYS 37 9.237 -0.835 8.631 273 1HZ LYS 37 3HZ LYS 37 9.257 -3.437 10.040 274 2HZ LYS 37 1HZ LYS 37 10.225 -3.110 8.795 275 3HZ LYS 37 2HZ LYS 37 10.371 -2.219 10.170 276 H LEU 38 H LEU 38 3.312 -4.400 8.790 277 HA LEU 38 HA LEU 38 1.537 -3.593 11.012 278 1HB LEU 38 1HB LEU 38 1.007 -4.301 8.089 279 2HB LEU 38 2HB LEU 38 -0.250 -3.890 9.243 280 HG LEU 38 HG LEU 38 1.990 -1.995 8.436 281 1HD1 LEU 38 1HD1 LEU 38 -0.933 -2.141 7.566 282 2HD1 LEU 38 2HD1 LEU 38 0.207 -0.846 7.151 283 3HD1 LEU 38 3HD1 LEU 38 0.490 -2.487 6.555 284 1HD2 LEU 38 3HD2 LEU 38 -0.556 -1.564 10.074 285 2HD2 LEU 38 1HD2 LEU 38 1.119 -1.435 10.661 286 3HD2 LEU 38 2HD2 LEU 38 0.509 -0.270 9.486 287 H LYS 39 H LYS 39 2.173 -5.479 12.320 288 HA LYS 39 HA LYS 39 1.143 -8.034 11.296 289 1HB LYS 39 1HB LYS 39 1.753 -9.035 13.483 290 2HB LYS 39 2HB LYS 39 3.009 -8.580 12.366 291 1HG LYS 39 1HG LYS 39 2.356 -6.569 14.495 292 2HG LYS 39 2HG LYS 39 3.065 -8.089 15.050 293 1HD LYS 39 1HD LYS 39 4.278 -6.381 12.851 294 2HD LYS 39 2HD LYS 39 4.751 -6.260 14.542 295 1HE LYS 39 1HE LYS 39 5.725 -8.445 14.550 296 2HE LYS 39 2HE LYS 39 4.911 -8.904 13.051 297 1HZ LYS 39 2HZ LYS 39 6.304 -7.368 11.833 298 2HZ LYS 39 3HZ LYS 39 7.109 -6.931 13.202 299 3HZ LYS 39 1HZ LYS 39 7.212 -8.439 12.574 300 H ILE 40 H ILE 40 -0.465 -9.266 12.740 301 HA ILE 40 HA ILE 40 -2.597 -9.499 13.441 302 HB ILE 40 HB ILE 40 -2.778 -6.476 13.891 303 1HG1 ILE 40 1HG1 ILE 40 -2.524 -8.740 15.924 304 2HG1 ILE 40 2HG1 ILE 40 -1.170 -7.738 15.400 305 1HG2 ILE 40 3HG2 ILE 40 -4.966 -7.461 13.345 306 2HG2 ILE 40 1HG2 ILE 40 -4.745 -8.676 14.619 307 3HG2 ILE 40 2HG2 ILE 40 -4.888 -6.952 15.017 308 1HD1 ILE 40 1HD1 ILE 40 -2.362 -5.702 16.218 309 2HD1 ILE 40 2HD1 ILE 40 -3.625 -6.759 16.897 310 3HD1 ILE 40 3HD1 ILE 40 -1.963 -6.874 17.489 311 H LEU 41 H LEU 41 -2.233 -6.459 11.555 312 HA LEU 41 HA LEU 41 -4.344 -7.197 9.717 313 1HB LEU 41 1HB LEU 41 -3.759 -4.892 10.624 314 2HB LEU 41 2HB LEU 41 -2.321 -4.913 9.605 315 HG LEU 41 HG LEU 41 -3.712 -4.901 7.582 316 1HD1 LEU 41 1HD1 LEU 41 -6.056 -5.060 9.532 317 2HD1 LEU 41 2HD1 LEU 41 -6.212 -4.694 7.809 318 3HD1 LEU 41 3HD1 LEU 41 -5.630 -6.268 8.307 319 1HD2 LEU 41 2HD2 LEU 41 -3.182 -2.755 8.701 320 2HD2 LEU 41 3HD2 LEU 41 -4.732 -2.694 7.852 321 3HD2 LEU 41 1HD2 LEU 41 -4.706 -2.871 9.615 322 H ARG 42 H ARG 42 -1.550 -8.505 9.948 323 HA ARG 42 HA ARG 42 0.048 -8.289 7.694 324 1HB ARG 42 1HB ARG 42 0.377 -9.488 9.932 325 2HB ARG 42 2HB ARG 42 -0.568 -10.823 9.299 326 1HG ARG 42 1HG ARG 42 1.217 -11.168 7.543 327 2HG ARG 42 2HG ARG 42 2.142 -9.850 8.304 328 1HD ARG 42 1HD ARG 42 1.873 -11.165 10.529 329 2HD ARG 42 2HD ARG 42 1.285 -12.506 9.554 330 HE ARG 42 HE ARG 42 3.430 -13.007 8.963 331 1HH1 ARG 42 2HH2 ARG 42 3.498 -9.629 10.250 332 2HH1 ARG 42 1HH2 ARG 42 5.227 -9.692 10.394 333 1HH2 ARG 42 2HH1 ARG 42 5.829 -12.867 9.242 334 2HH2 ARG 42 1HH1 ARG 42 6.438 -11.320 9.773 335 H GLY 43 H GLY 43 -2.796 -10.368 8.252 336 1HA GLY 43 1HA GLY 43 -2.718 -11.934 5.883 337 2HA GLY 43 2HA GLY 43 -4.148 -11.605 6.874 338 H LEU 44 H LEU 44 -4.699 -8.961 6.630 339 HA LEU 44 HA LEU 44 -5.859 -8.905 4.052 340 1HB LEU 44 1HB LEU 44 -6.864 -7.713 5.965 341 2HB LEU 44 2HB LEU 44 -5.484 -6.606 6.007 342 HG LEU 44 HG LEU 44 -6.064 -5.708 3.799 343 1HD1 LEU 44 3HD1 LEU 44 -8.461 -7.593 3.852 344 2HD1 LEU 44 1HD1 LEU 44 -8.176 -6.286 2.677 345 3HD1 LEU 44 2HD1 LEU 44 -7.093 -7.672 2.710 346 1HD2 LEU 44 3HD2 LEU 44 -8.488 -5.796 5.648 347 2HD2 LEU 44 1HD2 LEU 44 -7.128 -4.656 5.741 348 3HD2 LEU 44 2HD2 LEU 44 -8.214 -4.616 4.352 349 H CYS 45 H CYS 45 -3.045 -7.076 5.406 350 HA CYS 45 HA CYS 45 -2.316 -5.647 3.154 351 1HB CYS 45 1HB CYS 45 -1.306 -5.489 5.401 352 2HB CYS 45 2HB CYS 45 -0.505 -7.043 5.178 353 H LYS 46 H LYS 46 -1.156 -9.024 3.911 354 HA LYS 46 HA LYS 46 0.251 -9.202 1.436 355 1HB LYS 46 1HB LYS 46 -0.742 -11.373 3.294 356 2HB LYS 46 2HB LYS 46 0.115 -11.711 1.774 357 1HG LYS 46 1HG LYS 46 1.955 -10.112 2.528 358 2HG LYS 46 2HG LYS 46 1.132 -10.005 4.082 359 1HD LYS 46 1HD LYS 46 2.852 -11.527 4.399 360 2HD LYS 46 2HD LYS 46 1.391 -12.508 4.307 361 1HE LYS 46 1HE LYS 46 3.015 -13.700 3.059 362 2HE LYS 46 2HE LYS 46 1.979 -12.946 1.847 363 1HZ LYS 46 1HZ LYS 46 3.698 -11.225 1.589 364 2HZ LYS 46 2HZ LYS 46 4.644 -11.965 2.713 365 3HZ LYS 46 3HZ LYS 46 4.315 -12.720 1.302 366 H LYS 47 H LYS 47 -3.197 -9.928 2.158 367 HA LYS 47 HA LYS 47 -3.732 -10.979 -0.465 368 1HB LYS 47 1HB LYS 47 -5.300 -11.364 1.315 369 2HB LYS 47 2HB LYS 47 -5.590 -9.653 1.566 370 1HG LYS 47 1HG LYS 47 -6.179 -10.914 -1.137 371 2HG LYS 47 2HG LYS 47 -7.277 -11.163 0.207 372 1HD LYS 47 1HD LYS 47 -8.285 -9.204 -0.106 373 2HD LYS 47 2HD LYS 47 -6.776 -8.340 0.099 374 1HE LYS 47 1HE LYS 47 -7.711 -7.686 -2.008 375 2HE LYS 47 2HE LYS 47 -6.257 -8.626 -2.307 376 1HZ LYS 47 2HZ LYS 47 -7.772 -10.549 -2.733 377 2HZ LYS 47 3HZ LYS 47 -9.047 -9.502 -2.700 378 3HZ LYS 47 1HZ LYS 47 -7.851 -9.339 -3.822 379 H ILE 48 H ILE 48 -3.783 -7.585 0.785 380 HA ILE 48 HA ILE 48 -4.862 -6.394 -1.566 381 HB ILE 48 HB ILE 48 -2.917 -5.285 0.503 382 1HG1 ILE 48 1HG1 ILE 48 -5.081 -5.786 1.507 383 2HG1 ILE 48 2HG1 ILE 48 -4.799 -4.067 1.434 384 1HG2 ILE 48 2HG2 ILE 48 -4.372 -3.784 -1.706 385 2HG2 ILE 48 3HG2 ILE 48 -3.565 -3.023 -0.317 386 3HG2 ILE 48 1HG2 ILE 48 -2.624 -3.952 -1.477 387 1HD1 ILE 48 2HD1 ILE 48 -6.334 -3.919 -0.513 388 2HD1 ILE 48 3HD1 ILE 48 -6.629 -5.675 -0.394 389 3HD1 ILE 48 1HD1 ILE 48 -7.110 -4.597 0.928 390 H MET 49 H MET 49 -1.409 -6.773 -0.583 391 HA MET 49 HA MET 49 -0.337 -5.897 -3.036 392 1HB MET 49 1HB MET 49 0.722 -7.627 -0.772 393 2HB MET 49 2HB MET 49 1.688 -7.297 -2.218 394 1HG MET 49 1HG MET 49 2.216 -5.691 -0.473 395 2HG MET 49 2HG MET 49 1.522 -4.910 -1.892 396 1HE MET 49 2HE MET 49 0.959 -2.676 -1.016 397 2HE MET 49 3HE MET 49 0.181 -2.328 0.544 398 3HE MET 49 1HE MET 49 1.808 -3.039 0.500 399 H ARG 50 H ARG 50 -0.973 -9.402 -2.068 400 HA ARG 50 HA ARG 50 0.118 -10.372 -4.515 401 1HB ARG 50 1HB ARG 50 -0.571 -11.646 -2.383 402 2HB ARG 50 2HB ARG 50 -2.191 -11.723 -3.037 403 1HG ARG 50 1HG ARG 50 0.264 -12.823 -4.504 404 2HG ARG 50 2HG ARG 50 -0.613 -13.718 -3.286 405 1HD ARG 50 1HD ARG 50 -1.559 -14.632 -5.101 406 2HD ARG 50 2HD ARG 50 -2.722 -13.342 -4.801 407 HE ARG 50 HE ARG 50 -1.458 -12.024 -6.530 408 1HH1 ARG 50 2HH2 ARG 50 -1.423 -15.587 -6.810 409 2HH1 ARG 50 1HH2 ARG 50 -1.187 -15.565 -8.512 410 1HH2 ARG 50 2HH1 ARG 50 -1.166 -12.008 -8.733 411 2HH2 ARG 50 1HH1 ARG 50 -1.031 -13.465 -9.643 412 H SER 51 H SER 51 -3.141 -9.244 -3.733 413 HA SER 51 HA SER 51 -4.304 -10.092 -6.251 414 1HB SER 51 1HB SER 51 -5.370 -9.843 -3.942 415 2HB SER 51 2HB SER 51 -5.339 -8.091 -4.203 416 HG SER 51 HG SER 51 -6.613 -8.626 -6.156 417 H PHE 52 H PHE 52 -2.859 -6.982 -5.072 418 HA PHE 52 HA PHE 52 -3.382 -5.814 -7.763 419 1HB PHE 52 1HB PHE 52 -3.849 -4.275 -5.200 420 2HB PHE 52 2HB PHE 52 -4.430 -3.917 -6.810 421 HD1 PHE 52 HD2 PHE 52 -6.171 -5.810 -7.778 422 HD2 PHE 52 HD1 PHE 52 -5.423 -4.849 -3.642 423 HE1 PHE 52 HE2 PHE 52 -8.448 -6.579 -7.182 424 HE2 PHE 52 HE1 PHE 52 -7.716 -5.583 -3.056 425 HZ PHE 52 HZ PHE 52 -9.238 -6.454 -4.834 426 H LEU 53 H LEU 53 -0.728 -6.708 -6.528 427 HA LEU 53 HA LEU 53 0.580 -4.678 -5.302 428 1HB LEU 53 1HB LEU 53 1.563 -6.904 -5.613 429 2HB LEU 53 2HB LEU 53 1.832 -6.575 -7.319 430 HG LEU 53 HG LEU 53 3.505 -4.888 -6.778 431 1HD1 LEU 53 2HD1 LEU 53 2.834 -5.394 -3.832 432 2HD1 LEU 53 3HD1 LEU 53 4.230 -4.472 -4.434 433 3HD1 LEU 53 1HD1 LEU 53 2.609 -3.859 -4.715 434 1HD2 LEU 53 1HD2 LEU 53 4.079 -7.332 -6.760 435 2HD2 LEU 53 2HD2 LEU 53 5.136 -6.349 -5.745 436 3HD2 LEU 53 3HD2 LEU 53 3.864 -7.342 -4.991 437 H ARG 54 H ARG 54 0.897 -5.044 -8.943 438 HA ARG 54 HA ARG 54 2.301 -2.586 -9.072 439 1HB ARG 54 1HB ARG 54 2.274 -4.324 -10.830 440 2HB ARG 54 2HB ARG 54 0.694 -3.747 -11.371 441 1HG ARG 54 1HG ARG 54 1.544 -1.701 -12.141 442 2HG ARG 54 2HG ARG 54 2.935 -1.719 -11.063 443 1HD ARG 54 1HD ARG 54 2.681 -3.646 -13.397 444 2HD ARG 54 2HD ARG 54 3.412 -2.032 -13.529 445 HE ARG 54 HE ARG 54 4.733 -3.104 -11.376 446 1HH1 ARG 54 2HH2 ARG 54 4.524 -3.887 -14.825 447 2HH1 ARG 54 1HH2 ARG 54 6.077 -4.649 -14.869 448 1HH2 ARG 54 2HH1 ARG 54 6.607 -4.072 -11.388 449 2HH2 ARG 54 1HH1 ARG 54 7.385 -4.765 -12.792 450 H ARG 55 H ARG 55 -1.197 -2.991 -8.519 451 HA ARG 55 HA ARG 55 -1.808 -0.398 -9.584 452 1HB ARG 55 1HB ARG 55 -3.225 -2.303 -7.696 453 2HB ARG 55 2HB ARG 55 -3.722 -0.681 -7.805 454 1HG ARG 55 1HG ARG 55 -3.719 -2.605 -10.129 455 2HG ARG 55 2HG ARG 55 -5.082 -2.388 -9.051 456 1HD ARG 55 1HD ARG 55 -4.125 0.062 -10.499 457 2HD ARG 55 2HD ARG 55 -4.883 -1.193 -11.455 458 HE ARG 55 HE ARG 55 -6.694 -0.919 -9.455 459 1HH1 ARG 55 2HH2 ARG 55 -5.266 1.550 -11.634 460 2HH1 ARG 55 1HH2 ARG 55 -6.668 2.558 -11.502 461 1HH2 ARG 55 2HH1 ARG 55 -8.617 0.564 -9.446 462 2HH2 ARG 55 1HH1 ARG 55 -8.345 2.127 -10.023 463 H ILE 56 H ILE 56 -1.067 -1.873 -6.305 464 HA ILE 56 HA ILE 56 -1.195 0.581 -4.944 465 HB ILE 56 HB ILE 56 0.618 -1.661 -4.081 466 1HG1 ILE 56 1HG1 ILE 56 -1.380 -2.814 -4.360 467 2HG1 ILE 56 2HG1 ILE 56 -1.410 -2.337 -2.683 468 1HG2 ILE 56 3HG2 ILE 56 -0.868 0.555 -2.587 469 2HG2 ILE 56 1HG2 ILE 56 0.007 -0.774 -1.804 470 3HG2 ILE 56 2HG2 ILE 56 0.885 0.396 -2.783 471 1HD1 ILE 56 1HD1 ILE 56 -2.964 -0.437 -3.313 472 2HD1 ILE 56 2HD1 ILE 56 -3.040 -1.112 -4.952 473 3HD1 ILE 56 3HD1 ILE 56 -3.618 -2.070 -3.599 474 H SER 57 H SER 57 1.448 -0.789 -6.890 475 HA SER 57 HA SER 57 3.399 1.166 -6.154 476 1HB SER 57 1HB SER 57 3.844 -1.031 -7.294 477 2HB SER 57 2HB SER 57 3.099 -0.377 -8.766 478 HG SER 57 HG SER 57 5.166 -0.045 -9.009 479 H TRP 58 H TRP 58 1.298 1.042 -9.145 480 HA TRP 58 HA TRP 58 1.774 3.587 -10.163 481 1HB TRP 58 1HB TRP 58 0.296 2.602 -11.568 482 2HB TRP 58 2HB TRP 58 -0.449 1.653 -10.301 483 HD1 TRP 58 HD1 TRP 58 -0.678 5.309 -11.606 484 HE1 TRP 58 HE1 TRP 58 -3.006 6.198 -11.216 485 HE3 TRP 58 HE3 TRP 58 -2.654 1.324 -9.127 486 HZ2 TRP 58 HZ2 TRP 58 -5.476 5.281 -9.813 487 HZ3 TRP 58 HZ3 TRP 58 -4.824 1.369 -8.163 488 HH2 TRP 58 HH2 TRP 58 -6.267 3.293 -8.388 489 H ASP 59 H ASP 59 -0.458 2.697 -7.590 490 HA ASP 59 HA ASP 59 -1.628 5.182 -7.051 491 1HB ASP 59 1HB ASP 59 -1.016 2.767 -5.316 492 2HB ASP 59 2HB ASP 59 -1.768 4.186 -4.656 493 HD1 ASP 59 HD2 ASP 59 -4.266 3.608 -7.369 494 H ILE 60 H ILE 60 1.329 3.811 -5.367 495 HA ILE 60 HA ILE 60 1.661 6.230 -3.880 496 HB ILE 60 HB ILE 60 3.900 4.287 -4.476 497 1HG1 ILE 60 1HG1 ILE 60 2.521 2.772 -3.436 498 2HG1 ILE 60 2HG1 ILE 60 3.318 3.474 -2.064 499 1HG2 ILE 60 1HG2 ILE 60 4.460 6.510 -3.451 500 2HG2 ILE 60 2HG2 ILE 60 3.266 6.236 -2.180 501 3HG2 ILE 60 3HG2 ILE 60 4.703 5.214 -2.284 502 1HD1 ILE 60 2HD1 ILE 60 1.255 4.905 -1.690 503 2HD1 ILE 60 3HD1 ILE 60 0.454 3.931 -2.951 504 3HD1 ILE 60 1HD1 ILE 60 1.053 3.144 -1.493 505 H LEU 61 H LEU 61 3.048 4.983 -6.943 506 HA LEU 61 HA LEU 61 4.965 7.001 -7.393 507 1HB LEU 61 1HB LEU 61 3.405 5.293 -9.366 508 2HB LEU 61 2HB LEU 61 4.796 6.273 -9.808 509 HG LEU 61 HG LEU 61 4.982 4.063 -7.721 510 1HD1 LEU 61 1HD1 LEU 61 5.554 3.904 -10.715 511 2HD1 LEU 61 2HD1 LEU 61 5.899 2.638 -9.513 512 3HD1 LEU 61 3HD1 LEU 61 4.229 3.084 -9.859 513 1HD2 LEU 61 1HD2 LEU 61 6.838 5.739 -7.733 514 2HD2 LEU 61 2HD2 LEU 61 7.322 4.092 -8.140 515 3HD2 LEU 61 3HD2 LEU 61 7.164 5.314 -9.425 516 H THR 62 H THR 62 1.495 7.006 -8.180 517 HA THR 62 HA THR 62 1.742 9.637 -9.521 518 HB THR 62 HB THR 62 -0.737 9.401 -9.833 519 HG1 THR 62 HG1 THR 62 -0.270 6.753 -8.913 520 1HG2 THR 62 1HG2 THR 62 0.892 8.768 -11.574 521 2HG2 THR 62 2HG2 THR 62 0.953 7.116 -10.932 522 3HG2 THR 62 3HG2 THR 62 -0.559 7.759 -11.622 523 H GLY 63 H GLY 63 2.276 9.048 -6.567 524 1HA GLY 63 1HA GLY 63 1.847 9.734 -4.480 525 2HA GLY 63 2HA GLY 63 1.756 11.325 -5.252 526 H LYS 64 H LYS 64 -0.533 8.489 -5.385 527 HA LYS 64 HA LYS 64 -2.675 10.462 -5.047 528 1HB LYS 64 1HB LYS 64 -2.690 8.574 -6.704 529 2HB LYS 64 2HB LYS 64 -2.822 7.418 -5.374 530 1HG LYS 64 1HG LYS 64 -4.991 8.419 -4.721 531 2HG LYS 64 2HG LYS 64 -4.820 9.659 -5.962 532 1HD LYS 64 1HD LYS 64 -5.081 6.664 -6.510 533 2HD LYS 64 2HD LYS 64 -6.393 7.840 -6.572 534 1HE LYS 64 1HE LYS 64 -4.502 9.021 -8.235 535 2HE LYS 64 2HE LYS 64 -4.202 7.308 -8.523 536 1HZ LYS 64 3HZ LYS 64 -6.615 7.084 -9.031 537 2HZ LYS 64 1HZ LYS 64 -6.825 8.674 -8.823 538 3HZ LYS 64 2HZ LYS 64 -5.875 8.134 -10.047 539 H LYS 65 H LYS 65 -4.067 10.469 -3.259 540 HA LYS 65 HA LYS 65 -2.651 9.686 -0.801 541 1HB LYS 65 1HB LYS 65 -5.132 11.292 -1.349 542 2HB LYS 65 2HB LYS 65 -4.820 10.742 0.278 543 1HG LYS 65 1HG LYS 65 -3.954 13.100 -0.718 544 2HG LYS 65 2HG LYS 65 -3.240 12.297 0.656 545 1HD LYS 65 1HD LYS 65 -2.083 12.006 -2.153 546 2HD LYS 65 2HD LYS 65 -1.679 13.318 -1.080 547 1HE LYS 65 1HE LYS 65 -0.255 12.130 0.157 548 2HE LYS 65 2HE LYS 65 -1.404 10.825 0.390 549 1HZ LYS 65 2HZ LYS 65 -0.699 9.932 -1.792 550 2HZ LYS 65 3HZ LYS 65 0.495 11.078 -1.850 551 3HZ LYS 65 1HZ LYS 65 0.406 9.937 -0.626 552 HA PRO 66 HA PRO 66 -4.056 5.785 0.014 553 1HB PRO 66 1HB PRO 66 -4.603 5.728 2.725 554 2HB PRO 66 2HB PRO 66 -2.987 5.753 2.008 555 1HG PRO 66 1HG PRO 66 -4.548 8.121 3.047 556 2HG PRO 66 2HG PRO 66 -2.820 7.704 3.291 557 1HD PRO 66 1HD PRO 66 -3.458 9.499 1.467 558 2HD PRO 66 2HD PRO 66 -2.226 8.247 1.098 559 H GLN 67 H GLN 67 -6.339 7.998 1.707 560 HA GLN 67 HA GLN 67 -8.460 6.110 1.683 561 1HB GLN 67 1HB GLN 67 -8.122 8.241 3.067 562 2HB GLN 67 2HB GLN 67 -8.790 9.139 1.700 563 1HG GLN 67 1HG GLN 67 -10.915 7.993 1.902 564 2HG GLN 67 2HG GLN 67 -10.230 6.786 3.000 565 1HE2 GLN 67 2HE2 GLN 67 -11.903 9.945 4.705 566 2HE2 GLN 67 1HE2 GLN 67 -12.261 9.388 3.088 567 H ALA 68 H ALA 68 -7.320 8.357 -0.818 568 HA ALA 68 HA ALA 68 -9.687 8.003 -2.496 569 1HB ALA 68 3HB ALA 68 -8.378 10.107 -2.561 570 2HB ALA 68 1HB ALA 68 -6.940 9.203 -3.103 571 3HB ALA 68 2HB ALA 68 -8.381 9.291 -4.135 572 H ILE 69 H ILE 69 -6.357 6.625 -2.236 573 HA ILE 69 HA ILE 69 -6.393 5.041 -4.579 574 HB ILE 69 HB ILE 69 -5.113 4.643 -1.843 575 1HG1 ILE 69 1HG1 ILE 69 -3.781 5.225 -4.492 576 2HG1 ILE 69 2HG1 ILE 69 -4.377 6.507 -3.513 577 1HG2 ILE 69 1HG2 ILE 69 -4.984 2.860 -4.279 578 2HG2 ILE 69 2HG2 ILE 69 -3.697 2.855 -3.061 579 3HG2 ILE 69 3HG2 ILE 69 -5.337 2.412 -2.606 580 1HD1 ILE 69 2HD1 ILE 69 -2.407 4.464 -2.413 581 2HD1 ILE 69 3HD1 ILE 69 -1.926 5.967 -3.198 582 3HD1 ILE 69 1HD1 ILE 69 -2.881 6.021 -1.715 583 H CYS 70 H CYS 70 -7.566 4.234 -1.289 584 HA CYS 70 HA CYS 70 -8.660 1.678 -1.888 585 1HB CYS 70 1HB CYS 70 -9.554 3.743 0.165 586 2HB CYS 70 2HB CYS 70 -9.926 2.012 0.196 587 H VAL 71 H VAL 71 -10.177 4.957 -2.383 588 HA VAL 71 HA VAL 71 -12.751 3.791 -3.106 589 HB VAL 71 HB VAL 71 -11.465 6.482 -3.730 590 1HG1 VAL 71 1HG1 VAL 71 -14.340 5.588 -4.234 591 2HG1 VAL 71 2HG1 VAL 71 -13.745 7.254 -4.357 592 3HG1 VAL 71 3HG1 VAL 71 -13.144 6.023 -5.470 593 1HG2 VAL 71 2HG2 VAL 71 -12.078 6.038 -1.302 594 2HG2 VAL 71 3HG2 VAL 71 -12.923 7.397 -2.047 595 3HG2 VAL 71 1HG2 VAL 71 -13.766 5.859 -1.835 596 H ASP 72 H ASP 72 -9.909 4.945 -5.013 597 HA ASP 72 HA ASP 72 -10.845 4.457 -7.569 598 1HB ASP 72 1HB ASP 72 -8.808 5.722 -6.785 599 2HB ASP 72 2HB ASP 72 -7.963 4.190 -6.623 600 H ILE 73 H ILE 73 -8.958 2.193 -5.529 601 HA ILE 73 HA ILE 73 -9.232 0.108 -7.596 602 HB ILE 73 HB ILE 73 -7.736 -1.211 -6.321 603 1HG1 ILE 73 1HG1 ILE 73 -8.348 0.730 -4.067 604 2HG1 ILE 73 2HG1 ILE 73 -8.393 -1.022 -4.099 605 1HG2 ILE 73 3HG2 ILE 73 -6.955 0.762 -7.691 606 2HG2 ILE 73 1HG2 ILE 73 -6.725 1.651 -6.188 607 3HG2 ILE 73 2HG2 ILE 73 -5.803 0.163 -6.497 608 1HD1 ILE 73 2HD1 ILE 73 -5.924 -1.068 -4.354 609 2HD1 ILE 73 3HD1 ILE 73 -5.908 0.703 -4.193 610 3HD1 ILE 73 1HD1 ILE 73 -6.469 -0.282 -2.834 611 H LYS 74 H LYS 74 -11.284 1.173 -5.349 612 HA LYS 74 HA LYS 74 -13.360 0.573 -4.800 613 1HB LYS 74 1HB LYS 74 -13.359 -0.440 -7.106 614 2HB LYS 74 2HB LYS 74 -12.997 -1.996 -6.350 615 1HG LYS 74 1HG LYS 74 -15.126 -1.248 -4.831 616 2HG LYS 74 2HG LYS 74 -15.478 -0.337 -6.312 617 1HD LYS 74 1HD LYS 74 -15.397 -2.418 -7.629 618 2HD LYS 74 2HD LYS 74 -14.886 -3.296 -6.175 619 1HE LYS 74 1HE LYS 74 -17.168 -3.855 -6.537 620 2HE LYS 74 2HE LYS 74 -17.056 -2.819 -5.098 621 1HZ LYS 74 1HZ LYS 74 -17.837 -1.736 -7.737 622 2HZ LYS 74 2HZ LYS 74 -18.897 -2.188 -6.529 623 3HZ LYS 74 3HZ LYS 74 -17.852 -1.012 -6.279 624 H ILE 75 H ILE 75 -12.105 0.501 -2.787 625 HA ILE 75 HA ILE 75 -12.735 -1.989 -1.266 626 HB ILE 75 HB ILE 75 -10.178 -0.323 -1.134 627 1HG1 ILE 75 1HG1 ILE 75 -10.633 -3.218 -2.014 628 2HG1 ILE 75 2HG1 ILE 75 -10.206 -1.865 -3.060 629 1HG2 ILE 75 3HG2 ILE 75 -10.986 -2.735 0.530 630 2HG2 ILE 75 1HG2 ILE 75 -9.381 -1.985 0.552 631 3HG2 ILE 75 2HG2 ILE 75 -10.738 -1.059 1.120 632 1HD1 ILE 75 3HD1 ILE 75 -8.099 -1.578 -1.644 633 2HD1 ILE 75 1HD1 ILE 75 -8.472 -3.195 -0.994 634 3HD1 ILE 75 2HD1 ILE 75 -8.187 -2.988 -2.729 635 H CYS 76 H CYS 76 -12.796 1.506 -1.474 636 HA CYS 76 HA CYS 76 -13.308 1.814 1.397 637 1HB CYS 76 1HB CYS 76 -11.883 3.408 -0.021 638 2HB CYS 76 2HB CYS 76 -13.393 3.955 -0.728 639 H LYS 77 H LYS 77 -15.149 4.089 0.861 640 HA LYS 77 HA LYS 77 -17.733 2.675 0.607 641 1HB LYS 77 1HB LYS 77 -17.344 3.982 2.784 642 2HB LYS 77 2HB LYS 77 -17.132 5.436 1.830 643 1HG LYS 77 1HG LYS 77 -19.628 3.721 2.108 644 2HG LYS 77 2HG LYS 77 -19.383 5.332 2.759 645 1HD LYS 77 1HD LYS 77 -19.694 4.612 -0.176 646 2HD LYS 77 2HD LYS 77 -20.938 5.287 0.840 647 1HE LYS 77 1HE LYS 77 -20.038 7.423 0.885 648 2HE LYS 77 2HE LYS 77 -18.384 6.859 0.574 649 1HZ LYS 77 3HZ LYS 77 -20.078 6.269 -1.635 650 2HZ LYS 77 1HZ LYS 77 -19.932 7.915 -1.369 651 3HZ LYS 77 2HZ LYS 77 -18.679 6.881 -1.632 652 H GLU 78 H GLU 78 -17.243 2.542 -1.596 653 HA GLU 78 HA GLU 78 -16.402 4.434 -3.473 654 1HB GLU 78 1HB GLU 78 -18.753 2.492 -3.638 655 2HB GLU 78 2HB GLU 78 -17.949 3.250 -5.009 656 1HG GLU 78 1HG GLU 78 -15.930 1.915 -4.640 657 2HG GLU 78 2HG GLU 78 -16.563 1.288 -3.113 No H/Q in entry = 657 Start of MODEL 14 1 1H GLY 1 3H GLY 1 -17.024 0.422 4.833 2 2H GLY 1 1H GLY 1 -18.338 -0.459 4.561 3 3H GLY 1 2H GLY 1 -17.874 -0.158 6.125 4 1HA GLY 1 1HA GLY 1 -17.314 -2.425 5.518 5 2HA GLY 1 2HA GLY 1 -16.440 -1.768 4.122 6 H TYR 2 H TYR 2 -15.738 -3.233 6.916 7 HA TYR 2 HA TYR 2 -13.847 -1.708 8.342 8 1HB TYR 2 1HB TYR 2 -14.666 -3.871 9.083 9 2HB TYR 2 2HB TYR 2 -14.025 -4.665 7.656 10 HD1 TYR 2 HD1 TYR 2 -13.018 -2.920 10.821 11 HD2 TYR 2 HD2 TYR 2 -11.805 -5.561 7.627 12 HE1 TYR 2 HE1 TYR 2 -10.988 -3.505 12.083 13 HE2 TYR 2 HE2 TYR 2 -9.758 -6.143 8.889 14 HH TYR 2 HH TYR 2 -9.169 -4.989 12.200 15 H PHE 3 H PHE 3 -13.643 -3.207 5.178 16 HA PHE 3 HA PHE 3 -10.946 -3.269 4.652 17 1HB PHE 3 1HB PHE 3 -13.415 -2.762 3.042 18 2HB PHE 3 2HB PHE 3 -11.882 -2.625 2.272 19 HD1 PHE 3 HD2 PHE 3 -10.189 -4.600 2.643 20 HD2 PHE 3 HD1 PHE 3 -14.486 -4.887 2.790 21 HE1 PHE 3 HE2 PHE 3 -10.053 -6.971 1.929 22 HE2 PHE 3 HE1 PHE 3 -14.340 -7.278 2.165 23 HZ PHE 3 HZ PHE 3 -12.132 -8.323 1.722 24 H CYS 4 H CYS 4 -13.022 -0.261 4.590 25 HA CYS 4 HA CYS 4 -11.090 1.166 3.135 26 1HB CYS 4 1HB CYS 4 -13.353 2.208 3.552 27 2HB CYS 4 2HB CYS 4 -12.983 2.298 5.260 28 H GLU 5 H GLU 5 -11.530 1.279 6.719 29 HA GLU 5 HA GLU 5 -9.298 2.900 7.324 30 1HB GLU 5 1HB GLU 5 -11.022 2.447 8.971 31 2HB GLU 5 2HB GLU 5 -10.782 0.710 8.860 32 1HG GLU 5 1HG GLU 5 -9.883 1.597 10.954 33 2HG GLU 5 2HG GLU 5 -8.634 0.838 9.983 34 H SER 6 H SER 6 -9.588 -0.681 7.115 35 HA SER 6 HA SER 6 -6.953 -1.378 7.749 36 1HB SER 6 1HB SER 6 -8.810 -2.727 5.742 37 2HB SER 6 2HB SER 6 -7.429 -3.449 6.592 38 HG SER 6 HG SER 6 -9.954 -2.680 7.616 39 H CYS 7 H CYS 7 -8.301 -0.752 4.450 40 HA CYS 7 HA CYS 7 -5.863 -1.078 3.022 41 1HB CYS 7 1HB CYS 7 -8.067 -1.153 2.033 42 2HB CYS 7 2HB CYS 7 -8.377 0.529 2.411 43 H ARG 8 H ARG 8 -7.512 1.810 4.277 44 HA ARG 8 HA ARG 8 -5.781 3.820 3.365 45 1HB ARG 8 1HB ARG 8 -8.039 4.100 4.431 46 2HB ARG 8 2HB ARG 8 -7.352 3.595 5.971 47 1HG ARG 8 1HG ARG 8 -5.775 5.678 5.695 48 2HG ARG 8 2HG ARG 8 -6.937 6.166 4.444 49 1HD ARG 8 1HD ARG 8 -7.828 7.152 6.419 50 2HD ARG 8 2HD ARG 8 -8.775 5.706 6.209 51 HE ARG 8 HE ARG 8 -8.026 4.956 8.202 52 1HH1 ARG 8 2HH2 ARG 8 -5.610 7.447 7.282 53 2HH1 ARG 8 1HH2 ARG 8 -4.874 7.444 8.814 54 1HH2 ARG 8 2HH1 ARG 8 -7.117 4.906 10.078 55 2HH2 ARG 8 1HH1 ARG 8 -5.849 6.000 10.579 56 H LYS 9 H LYS 9 -5.697 1.944 6.448 57 HA LYS 9 HA LYS 9 -3.278 3.055 7.409 58 1HB LYS 9 1HB LYS 9 -5.079 1.758 8.626 59 2HB LYS 9 2HB LYS 9 -4.404 0.273 7.967 60 1HG LYS 9 1HG LYS 9 -2.348 0.557 9.156 61 2HG LYS 9 2HG LYS 9 -2.713 2.238 9.572 62 1HD LYS 9 1HD LYS 9 -4.392 -0.114 10.539 63 2HD LYS 9 2HD LYS 9 -3.027 0.543 11.466 64 1HE LYS 9 1HE LYS 9 -4.077 2.684 11.744 65 2HE LYS 9 2HE LYS 9 -5.241 2.361 10.467 66 1HZ LYS 9 1HZ LYS 9 -6.119 0.568 11.982 67 2HZ LYS 9 2HZ LYS 9 -5.373 1.418 13.211 68 3HZ LYS 9 3HZ LYS 9 -6.485 2.124 12.191 69 H ILE 10 H ILE 10 -3.863 0.134 5.377 70 HA ILE 10 HA ILE 10 -1.183 -0.763 5.263 71 HB ILE 10 HB ILE 10 -3.509 -1.152 3.384 72 1HG1 ILE 10 1HG1 ILE 10 -2.080 -3.138 5.202 73 2HG1 ILE 10 2HG1 ILE 10 -3.366 -2.139 5.825 74 1HG2 ILE 10 2HG2 ILE 10 -0.735 -2.414 3.302 75 2HG2 ILE 10 3HG2 ILE 10 -2.132 -3.044 2.411 76 3HG2 ILE 10 1HG2 ILE 10 -1.497 -1.450 2.023 77 1HD1 ILE 10 1HD1 ILE 10 -3.724 -4.036 3.473 78 2HD1 ILE 10 2HD1 ILE 10 -4.162 -4.388 5.136 79 3HD1 ILE 10 3HD1 ILE 10 -4.984 -3.077 4.271 80 H ILE 11 H ILE 11 -2.881 1.468 2.987 81 HA ILE 11 HA ILE 11 -0.542 2.066 1.453 82 HB ILE 11 HB ILE 11 -3.119 3.596 1.966 83 1HG1 ILE 11 1HG1 ILE 11 -3.532 1.597 0.665 84 2HG1 ILE 11 2HG1 ILE 11 -3.676 3.012 -0.360 85 1HG2 ILE 11 3HG2 ILE 11 -0.915 4.345 0.006 86 2HG2 ILE 11 1HG2 ILE 11 -2.552 5.033 0.058 87 3HG2 ILE 11 2HG2 ILE 11 -1.454 5.288 1.400 88 1HD1 ILE 11 1HD1 ILE 11 -1.439 2.523 -1.338 89 2HD1 ILE 11 2HD1 ILE 11 -1.340 1.058 -0.327 90 3HD1 ILE 11 3HD1 ILE 11 -2.605 1.214 -1.553 91 H GLN 12 H GLN 12 -2.011 3.866 4.226 92 HA GLN 12 HA GLN 12 -0.139 5.944 4.282 93 1HB GLN 12 1HB GLN 12 -1.764 4.624 6.490 94 2HB GLN 12 2HB GLN 12 -0.780 6.054 6.775 95 1HG GLN 12 1HG GLN 12 -2.547 6.329 4.406 96 2HG GLN 12 2HG GLN 12 -3.415 6.048 5.916 97 1HE2 GLN 12 2HE2 GLN 12 -1.116 9.481 5.635 98 2HE2 GLN 12 1HE2 GLN 12 -0.798 8.204 4.499 99 H LYS 13 H LYS 13 0.116 2.686 5.791 100 HA LYS 13 HA LYS 13 2.529 3.456 7.143 101 1HB LYS 13 1HB LYS 13 0.865 1.578 7.776 102 2HB LYS 13 2HB LYS 13 1.669 0.617 6.554 103 1HG LYS 13 1HG LYS 13 2.692 0.023 8.606 104 2HG LYS 13 2HG LYS 13 3.871 1.064 7.845 105 1HD LYS 13 1HD LYS 13 1.837 2.338 9.699 106 2HD LYS 13 2HD LYS 13 3.082 1.313 10.430 107 1HE LYS 13 1HE LYS 13 4.867 2.642 9.582 108 2HE LYS 13 2HE LYS 13 3.846 3.485 8.464 109 1HZ LYS 13 2HZ LYS 13 3.780 3.871 11.400 110 2HZ LYS 13 3HZ LYS 13 4.434 4.848 10.262 111 3HZ LYS 13 1HZ LYS 13 2.838 4.675 10.279 112 H LEU 14 H LEU 14 1.861 2.315 3.865 113 HA LEU 14 HA LEU 14 4.617 1.555 3.266 114 1HB LEU 14 1HB LEU 14 2.517 0.845 1.926 115 2HB LEU 14 2HB LEU 14 2.416 2.483 1.338 116 HG LEU 14 HG LEU 14 3.359 1.065 -0.315 117 1HD1 LEU 14 3HD1 LEU 14 4.346 3.431 -0.093 118 2HD1 LEU 14 1HD1 LEU 14 5.793 2.626 0.556 119 3HD1 LEU 14 2HD1 LEU 14 5.240 2.250 -1.061 120 1HD2 LEU 14 3HD2 LEU 14 4.282 -0.655 1.146 121 2HD2 LEU 14 1HD2 LEU 14 5.448 -0.141 -0.082 122 3HD2 LEU 14 2HD2 LEU 14 5.634 0.412 1.594 123 H GLU 15 H GLU 15 2.491 4.343 2.736 124 HA GLU 15 HA GLU 15 4.224 6.105 1.473 125 1HB GLU 15 1HB GLU 15 1.673 6.031 1.860 126 2HB GLU 15 2HB GLU 15 1.957 6.634 3.484 127 1HG GLU 15 1HG GLU 15 2.669 8.790 2.544 128 2HG GLU 15 2HG GLU 15 2.514 8.121 0.906 129 H ASP 16 H ASP 16 3.576 5.823 4.988 130 HA ASP 16 HA ASP 16 5.632 7.437 6.004 131 1HB ASP 16 1HB ASP 16 3.982 6.470 7.484 132 2HB ASP 16 2HB ASP 16 4.237 4.861 6.857 133 H MET 17 H MET 17 6.024 4.219 4.594 134 HA MET 17 HA MET 17 8.692 3.926 5.826 135 1HB MET 17 1HB MET 17 7.034 2.156 3.976 136 2HB MET 17 2HB MET 17 8.724 1.810 4.379 137 1HG MET 17 1HG MET 17 8.260 1.683 6.700 138 2HG MET 17 2HG MET 17 6.634 2.322 6.503 139 1HE MET 17 1HE MET 17 8.774 -0.562 7.023 140 2HE MET 17 2HE MET 17 8.007 -1.970 6.253 141 3HE MET 17 3HE MET 17 8.876 -0.759 5.259 142 H VAL 18 H VAL 18 7.351 4.204 2.445 143 HA VAL 18 HA VAL 18 10.092 4.280 1.488 144 HB VAL 18 HB VAL 18 8.134 3.280 0.253 145 1HG1 VAL 18 3HG1 VAL 18 6.581 5.206 0.320 146 2HG1 VAL 18 1HG1 VAL 18 7.686 6.092 -0.756 147 3HG1 VAL 18 2HG1 VAL 18 6.912 4.602 -1.323 148 1HG2 VAL 18 3HG2 VAL 18 10.383 3.412 -0.565 149 2HG2 VAL 18 1HG2 VAL 18 9.228 3.672 -1.876 150 3HG2 VAL 18 2HG2 VAL 18 10.125 5.052 -1.155 151 H GLY 19 H GLY 19 7.581 6.675 2.299 152 1HA GLY 19 1HA GLY 19 7.846 8.848 2.794 153 2HA GLY 19 2HA GLY 19 9.582 8.749 2.477 154 HA PRO 20 HA PRO 20 7.784 11.135 -1.033 155 1HB PRO 20 1HB PRO 20 10.029 12.426 -1.904 156 2HB PRO 20 2HB PRO 20 9.252 12.818 -0.343 157 1HG PRO 20 1HG PRO 20 11.600 10.952 -0.838 158 2HG PRO 20 2HG PRO 20 11.500 12.310 0.332 159 1HD PRO 20 1HD PRO 20 10.987 9.719 1.031 160 2HD PRO 20 2HD PRO 20 10.082 11.091 1.763 161 H GLN 21 H GLN 21 8.556 11.538 -3.280 162 HA GLN 21 HA GLN 21 8.014 9.962 -5.195 163 1HB GLN 21 1HB GLN 21 10.598 11.551 -5.301 164 2HB GLN 21 2HB GLN 21 9.745 10.879 -6.687 165 1HG GLN 21 1HG GLN 21 9.066 13.100 -6.675 166 2HG GLN 21 2HG GLN 21 7.701 12.251 -5.958 167 1HE2 GLN 21 2HE2 GLN 21 9.849 14.948 -3.723 168 2HE2 GLN 21 1HE2 GLN 21 10.458 14.448 -5.291 169 HA PRO 22 HA PRO 22 10.854 6.466 -4.497 170 1HB PRO 22 1HB PRO 22 9.142 4.488 -4.040 171 2HB PRO 22 2HB PRO 22 9.218 5.899 -2.936 172 1HG PRO 22 1HG PRO 22 7.250 5.473 -5.197 173 2HG PRO 22 2HG PRO 22 6.927 5.831 -3.458 174 1HD PRO 22 1HD PRO 22 7.134 7.795 -5.417 175 2HD PRO 22 2HD PRO 22 7.505 8.055 -3.686 176 H ASN 23 H ASN 23 10.491 3.998 -5.548 177 HA ASN 23 HA ASN 23 9.710 4.169 -8.389 178 1HB ASN 23 1HB ASN 23 11.733 2.972 -9.037 179 2HB ASN 23 2HB ASN 23 12.174 4.483 -8.241 180 1HD2 ASN 23 2HD2 ASN 23 13.636 1.084 -6.684 181 2HD2 ASN 23 1HD2 ASN 23 13.004 1.157 -8.314 182 H GLU 24 H GLU 24 8.939 2.256 -9.161 183 HA GLU 24 HA GLU 24 7.232 0.767 -7.751 184 1HB GLU 24 1HB GLU 24 7.178 0.947 -10.092 185 2HB GLU 24 2HB GLU 24 8.735 0.171 -10.304 186 1HG GLU 24 1HG GLU 24 7.870 -1.987 -9.915 187 2HG GLU 24 2HG GLU 24 6.493 -1.382 -8.987 188 H ASP 25 H ASP 25 10.659 -0.324 -8.206 189 HA ASP 25 HA ASP 25 10.124 -2.911 -7.045 190 1HB ASP 25 1HB ASP 25 12.139 -2.629 -8.373 191 2HB ASP 25 2HB ASP 25 12.770 -1.432 -7.221 192 H THR 26 H THR 26 11.682 0.064 -5.661 193 HA THR 26 HA THR 26 11.911 -0.859 -3.075 194 HB THR 26 HB THR 26 11.268 2.000 -3.907 195 HG1 THR 26 HG1 THR 26 13.191 2.104 -4.718 196 1HG2 THR 26 2HG2 THR 26 11.437 1.576 -1.432 197 2HG2 THR 26 3HG2 THR 26 13.060 0.906 -1.683 198 3HG2 THR 26 1HG2 THR 26 12.738 2.618 -2.041 199 H VAL 27 H VAL 27 9.060 0.563 -4.676 200 HA VAL 27 HA VAL 27 7.411 0.627 -2.307 201 HB VAL 27 HB VAL 27 6.660 0.455 -5.261 202 1HG1 VAL 27 1HG1 VAL 27 4.902 0.924 -2.820 203 2HG1 VAL 27 2HG1 VAL 27 4.424 1.357 -4.469 204 3HG1 VAL 27 3HG1 VAL 27 4.732 -0.335 -4.053 205 1HG2 VAL 27 2HG2 VAL 27 6.767 2.790 -3.300 206 2HG2 VAL 27 3HG2 VAL 27 7.867 2.520 -4.656 207 3HG2 VAL 27 1HG2 VAL 27 6.175 2.873 -4.982 208 H THR 28 H THR 28 8.038 -1.946 -4.740 209 HA THR 28 HA THR 28 6.138 -3.819 -3.732 210 HB THR 28 HB THR 28 8.712 -4.234 -5.327 211 HG1 THR 28 HG1 THR 28 7.385 -2.925 -6.464 212 1HG2 THR 28 2HG2 THR 28 6.301 -6.048 -4.947 213 2HG2 THR 28 3HG2 THR 28 7.602 -6.277 -6.145 214 3HG2 THR 28 1HG2 THR 28 7.972 -6.357 -4.420 215 H GLN 29 H GLN 29 9.721 -3.503 -3.137 216 HA GLN 29 HA GLN 29 9.648 -5.664 -1.228 217 1HB GLN 29 1HB GLN 29 11.930 -4.939 -0.599 218 2HB GLN 29 2HB GLN 29 11.708 -5.328 -2.303 219 1HG GLN 29 1HG GLN 29 11.856 -3.070 -2.967 220 2HG GLN 29 2HG GLN 29 11.733 -2.471 -1.300 221 1HE2 GLN 29 2HE2 GLN 29 15.367 -3.372 -2.795 222 2HE2 GLN 29 1HE2 GLN 29 13.955 -3.291 -3.829 223 H ALA 30 H ALA 30 9.544 -2.072 -0.801 224 HA ALA 30 HA ALA 30 9.480 -2.066 2.009 225 1HB ALA 30 2HB ALA 30 9.658 0.017 0.709 226 2HB ALA 30 3HB ALA 30 8.001 -0.203 0.096 227 3HB ALA 30 1HB ALA 30 8.283 0.084 1.823 228 H ALA 31 H ALA 31 6.772 -2.474 -0.351 229 HA ALA 31 HA ALA 31 4.721 -2.724 1.545 230 1HB ALA 31 3HB ALA 31 4.240 -2.409 -0.841 231 2HB ALA 31 1HB ALA 31 4.913 -4.007 -1.226 232 3HB ALA 31 2HB ALA 31 3.443 -3.874 -0.245 233 H SER 32 H SER 32 6.800 -5.384 0.168 234 HA SER 32 HA SER 32 5.433 -7.468 1.570 235 1HB SER 32 1HB SER 32 7.394 -8.793 1.240 236 2HB SER 32 2HB SER 32 7.359 -7.691 -0.144 237 HG SER 32 HG SER 32 8.921 -6.379 0.999 238 H GLN 33 H GLN 33 7.678 -5.085 2.854 239 HA GLN 33 HA GLN 33 7.354 -6.251 5.543 240 1HB GLN 33 1HB GLN 33 9.058 -3.895 4.682 241 2HB GLN 33 2HB GLN 33 9.060 -4.720 6.247 242 1HG GLN 33 1HG GLN 33 10.061 -5.741 3.578 243 2HG GLN 33 2HG GLN 33 10.937 -5.595 5.097 244 1HE2 GLN 33 2HE2 GLN 33 9.447 -9.146 4.260 245 2HE2 GLN 33 1HE2 GLN 33 9.649 -7.880 3.043 246 H VAL 34 H VAL 34 5.914 -3.580 3.688 247 HA VAL 34 HA VAL 34 4.980 -2.113 5.906 248 HB VAL 34 HB VAL 34 4.674 -1.561 3.401 249 1HG1 VAL 34 2HG1 VAL 34 3.016 -3.537 2.790 250 2HG1 VAL 34 3HG1 VAL 34 1.852 -2.608 3.686 251 3HG1 VAL 34 1HG1 VAL 34 2.631 -1.903 2.272 252 1HG2 VAL 34 2HG2 VAL 34 2.516 -1.089 5.425 253 2HG2 VAL 34 3HG2 VAL 34 3.996 -0.118 5.104 254 3HG2 VAL 34 1HG2 VAL 34 2.691 -0.209 3.896 255 H CYS 35 H CYS 35 3.826 -4.995 4.293 256 HA CYS 35 HA CYS 35 1.551 -5.463 5.979 257 1HB CYS 35 1HB CYS 35 3.265 -7.483 4.484 258 2HB CYS 35 2HB CYS 35 1.611 -7.701 5.074 259 H ASP 36 H ASP 36 5.017 -6.725 6.080 260 HA ASP 36 HA ASP 36 4.466 -8.123 8.520 261 1HB ASP 36 1HB ASP 36 6.622 -8.402 7.240 262 2HB ASP 36 2HB ASP 36 7.192 -6.932 8.076 263 H LYS 37 H LYS 37 5.268 -4.700 8.079 264 HA LYS 37 HA LYS 37 5.720 -4.116 10.819 265 1HB LYS 37 1HB LYS 37 6.470 -2.844 8.765 266 2HB LYS 37 2HB LYS 37 4.826 -2.259 8.546 267 1HG LYS 37 1HG LYS 37 5.016 -0.943 10.632 268 2HG LYS 37 2HG LYS 37 6.623 -1.640 10.936 269 1HD LYS 37 1HD LYS 37 7.420 -0.679 8.769 270 2HD LYS 37 2HD LYS 37 5.837 0.088 8.549 271 1HE LYS 37 1HE LYS 37 6.244 1.388 10.617 272 2HE LYS 37 2HE LYS 37 7.855 0.681 10.751 273 1HZ LYS 37 1HZ LYS 37 8.306 1.792 8.540 274 2HZ LYS 37 2HZ LYS 37 6.896 2.628 8.683 275 3HZ LYS 37 3HZ LYS 37 8.037 2.840 9.760 276 H LEU 38 H LEU 38 2.779 -3.888 8.724 277 HA LEU 38 HA LEU 38 1.125 -3.193 11.096 278 1HB LEU 38 1HB LEU 38 0.361 -3.916 8.231 279 2HB LEU 38 2HB LEU 38 -0.777 -3.482 9.509 280 HG LEU 38 HG LEU 38 1.355 -1.675 8.318 281 1HD1 LEU 38 1HD1 LEU 38 -0.539 -2.164 6.848 282 2HD1 LEU 38 2HD1 LEU 38 -1.681 -1.624 8.103 283 3HD1 LEU 38 3HD1 LEU 38 -0.536 -0.474 7.374 284 1HD2 LEU 38 3HD2 LEU 38 -0.735 -1.105 10.473 285 2HD2 LEU 38 1HD2 LEU 38 1.034 -0.994 10.640 286 3HD2 LEU 38 2HD2 LEU 38 0.175 0.149 9.605 287 H LYS 39 H LYS 39 2.030 -5.093 12.281 288 HA LYS 39 HA LYS 39 1.141 -7.649 11.223 289 1HB LYS 39 1HB LYS 39 2.057 -8.714 13.273 290 2HB LYS 39 2HB LYS 39 3.098 -7.980 12.092 291 1HG LYS 39 1HG LYS 39 3.153 -5.924 13.758 292 2HG LYS 39 2HG LYS 39 2.513 -7.080 14.929 293 1HD LYS 39 1HD LYS 39 4.966 -6.928 15.097 294 2HD LYS 39 2HD LYS 39 4.517 -8.545 14.522 295 1HE LYS 39 1HE LYS 39 4.998 -7.848 12.190 296 2HE LYS 39 2HE LYS 39 5.395 -6.226 12.715 297 1HZ LYS 39 2HZ LYS 39 6.919 -8.654 13.455 298 2HZ LYS 39 3HZ LYS 39 7.202 -7.741 12.140 299 3HZ LYS 39 1HZ LYS 39 7.401 -7.073 13.641 300 H ILE 40 H ILE 40 -0.180 -9.165 12.648 301 HA ILE 40 HA ILE 40 -2.214 -9.757 13.433 302 HB ILE 40 HB ILE 40 -2.691 -6.832 14.202 303 1HG1 ILE 40 1HG1 ILE 40 -2.214 -9.322 15.903 304 2HG1 ILE 40 2HG1 ILE 40 -0.962 -8.144 15.503 305 1HG2 ILE 40 3HG2 ILE 40 -4.495 -9.234 14.652 306 2HG2 ILE 40 1HG2 ILE 40 -4.732 -7.598 15.302 307 3HG2 ILE 40 2HG2 ILE 40 -4.823 -7.860 13.577 308 1HD1 ILE 40 1HD1 ILE 40 -2.300 -6.355 16.630 309 2HD1 ILE 40 2HD1 ILE 40 -3.444 -7.610 17.173 310 3HD1 ILE 40 3HD1 ILE 40 -1.760 -7.657 17.709 311 H LEU 41 H LEU 41 -2.356 -6.597 11.751 312 HA LEU 41 HA LEU 41 -4.407 -7.486 9.887 313 1HB LEU 41 1HB LEU 41 -4.065 -5.233 11.048 314 2HB LEU 41 2HB LEU 41 -2.738 -4.926 9.959 315 HG LEU 41 HG LEU 41 -5.183 -3.962 9.670 316 1HD1 LEU 41 1HD1 LEU 41 -3.324 -3.380 8.243 317 2HD1 LEU 41 2HD1 LEU 41 -3.569 -4.839 7.273 318 3HD1 LEU 41 3HD1 LEU 41 -4.818 -3.571 7.318 319 1HD2 LEU 41 2HD2 LEU 41 -6.370 -6.101 9.543 320 2HD2 LEU 41 3HD2 LEU 41 -6.605 -5.127 8.093 321 3HD2 LEU 41 1HD2 LEU 41 -5.488 -6.510 8.053 322 H ARG 42 H ARG 42 -1.470 -8.434 10.076 323 HA ARG 42 HA ARG 42 0.145 -7.914 7.896 324 1HB ARG 42 1HB ARG 42 0.439 -9.309 10.110 325 2HB ARG 42 2HB ARG 42 -0.171 -10.664 9.197 326 1HG ARG 42 1HG ARG 42 1.832 -10.368 7.629 327 2HG ARG 42 2HG ARG 42 2.420 -9.134 8.771 328 1HD ARG 42 1HD ARG 42 2.165 -10.891 10.620 329 2HD ARG 42 2HD ARG 42 1.878 -12.078 9.341 330 HE ARG 42 HE ARG 42 4.432 -10.486 9.386 331 1HH1 ARG 42 2HH2 ARG 42 2.948 -13.682 10.020 332 2HH1 ARG 42 1HH2 ARG 42 4.485 -14.443 10.193 333 1HH2 ARG 42 2HH1 ARG 42 6.296 -11.443 9.615 334 2HH2 ARG 42 1HH1 ARG 42 6.511 -13.142 9.939 335 H GLY 43 H GLY 43 -2.436 -10.316 8.246 336 1HA GLY 43 1HA GLY 43 -2.116 -11.772 5.837 337 2HA GLY 43 2HA GLY 43 -3.583 -11.671 6.819 338 H LEU 44 H LEU 44 -4.293 -8.917 6.580 339 HA LEU 44 HA LEU 44 -5.653 -9.153 4.090 340 1HB LEU 44 1HB LEU 44 -6.399 -7.892 6.258 341 2HB LEU 44 2HB LEU 44 -5.397 -6.568 5.653 342 HG LEU 44 HG LEU 44 -6.759 -6.864 3.417 343 1HD1 LEU 44 3HD1 LEU 44 -8.619 -8.254 5.408 344 2HD1 LEU 44 1HD1 LEU 44 -9.071 -7.727 3.788 345 3HD1 LEU 44 2HD1 LEU 44 -7.870 -9.004 3.981 346 1HD2 LEU 44 1HD2 LEU 44 -8.115 -5.775 5.916 347 2HD2 LEU 44 2HD2 LEU 44 -6.982 -4.900 4.850 348 3HD2 LEU 44 3HD2 LEU 44 -8.564 -5.402 4.241 349 H CYS 45 H CYS 45 -3.000 -6.979 5.207 350 HA CYS 45 HA CYS 45 -2.442 -5.690 2.837 351 1HB CYS 45 1HB CYS 45 -1.478 -5.227 5.050 352 2HB CYS 45 2HB CYS 45 -0.534 -6.707 4.975 353 H LYS 46 H LYS 46 -0.887 -8.829 3.890 354 HA LYS 46 HA LYS 46 0.492 -9.067 1.408 355 1HB LYS 46 1HB LYS 46 -0.110 -11.048 3.591 356 2HB LYS 46 2HB LYS 46 0.579 -11.605 2.056 357 1HG LYS 46 1HG LYS 46 2.495 -10.188 2.247 358 2HG LYS 46 2HG LYS 46 1.807 -9.300 3.601 359 1HD LYS 46 1HD LYS 46 2.221 -11.001 5.150 360 2HD LYS 46 2HD LYS 46 2.320 -12.235 3.899 361 1HE LYS 46 1HE LYS 46 4.527 -11.980 4.672 362 2HE LYS 46 2HE LYS 46 4.474 -11.241 3.077 363 1HZ LYS 46 3HZ LYS 46 4.421 -9.708 5.627 364 2HZ LYS 46 1HZ LYS 46 5.745 -9.959 4.714 365 3HZ LYS 46 2HZ LYS 46 4.572 -9.070 4.106 366 H LYS 47 H LYS 47 -2.832 -10.187 2.201 367 HA LYS 47 HA LYS 47 -3.231 -11.493 -0.333 368 1HB LYS 47 1HB LYS 47 -4.796 -11.897 1.406 369 2HB LYS 47 2HB LYS 47 -5.227 -10.187 1.501 370 1HG LYS 47 1HG LYS 47 -6.867 -11.524 0.300 371 2HG LYS 47 2HG LYS 47 -6.238 -10.223 -0.697 372 1HD LYS 47 1HD LYS 47 -4.752 -12.041 -1.797 373 2HD LYS 47 2HD LYS 47 -5.728 -13.225 -0.936 374 1HE LYS 47 1HE LYS 47 -6.772 -11.102 -2.891 375 2HE LYS 47 2HE LYS 47 -6.399 -12.764 -3.332 376 1HZ LYS 47 2HZ LYS 47 -8.495 -11.965 -1.409 377 2HZ LYS 47 3HZ LYS 47 -8.734 -12.459 -2.953 378 3HZ LYS 47 1HZ LYS 47 -8.141 -13.515 -1.851 379 H ILE 48 H ILE 48 -3.938 -8.079 0.663 380 HA ILE 48 HA ILE 48 -4.920 -7.247 -1.851 381 HB ILE 48 HB ILE 48 -3.644 -5.774 0.476 382 1HG1 ILE 48 1HG1 ILE 48 -6.501 -5.736 -0.616 383 2HG1 ILE 48 2HG1 ILE 48 -5.967 -6.877 0.609 384 1HG2 ILE 48 2HG2 ILE 48 -4.855 -4.483 -2.014 385 2HG2 ILE 48 3HG2 ILE 48 -4.372 -3.628 -0.536 386 3HG2 ILE 48 1HG2 ILE 48 -3.150 -4.401 -1.527 387 1HD1 ILE 48 3HD1 ILE 48 -5.399 -5.018 2.137 388 2HD1 ILE 48 1HD1 ILE 48 -6.023 -3.852 0.943 389 3HD1 ILE 48 2HD1 ILE 48 -7.111 -5.037 1.675 390 H MET 49 H MET 49 -1.546 -7.179 -0.587 391 HA MET 49 HA MET 49 -0.392 -6.026 -2.905 392 1HB MET 49 1HB MET 49 0.835 -7.928 -0.861 393 2HB MET 49 2HB MET 49 1.738 -7.028 -2.082 394 1HG MET 49 1HG MET 49 0.127 -5.867 0.206 395 2HG MET 49 2HG MET 49 1.870 -5.827 0.007 396 1HE MET 49 2HE MET 49 1.203 -3.240 0.827 397 2HE MET 49 3HE MET 49 0.287 -2.119 -0.202 398 3HE MET 49 1HE MET 49 -0.537 -3.497 0.553 399 H ARG 50 H ARG 50 -0.853 -9.601 -2.203 400 HA ARG 50 HA ARG 50 0.323 -10.309 -4.745 401 1HB ARG 50 1HB ARG 50 -0.022 -11.984 -3.022 402 2HB ARG 50 2HB ARG 50 -1.745 -11.721 -3.002 403 1HG ARG 50 1HG ARG 50 -1.125 -13.830 -4.171 404 2HG ARG 50 2HG ARG 50 -2.088 -12.721 -5.118 405 1HD ARG 50 1HD ARG 50 -0.613 -13.520 -6.669 406 2HD ARG 50 2HD ARG 50 0.125 -11.978 -6.257 407 HE ARG 50 HE ARG 50 1.261 -13.968 -4.598 408 1HH1 ARG 50 2HH2 ARG 50 1.158 -13.082 -8.033 409 2HH1 ARG 50 1HH2 ARG 50 2.622 -13.880 -8.460 410 1HH2 ARG 50 2HH1 ARG 50 3.267 -15.071 -5.161 411 2HH2 ARG 50 1HH1 ARG 50 3.849 -15.012 -6.773 412 H SER 51 H SER 51 -2.943 -9.687 -3.748 413 HA SER 51 HA SER 51 -4.288 -10.341 -6.141 414 1HB SER 51 1HB SER 51 -5.170 -9.932 -3.756 415 2HB SER 51 2HB SER 51 -5.220 -8.214 -4.171 416 HG SER 51 HG SER 51 -6.672 -8.795 -5.854 417 H PHE 52 H PHE 52 -2.933 -7.122 -5.155 418 HA PHE 52 HA PHE 52 -3.355 -6.169 -7.943 419 1HB PHE 52 1HB PHE 52 -4.079 -4.535 -5.489 420 2HB PHE 52 2HB PHE 52 -4.447 -4.192 -7.171 421 HD1 PHE 52 HD1 PHE 52 -5.993 -6.119 -8.351 422 HD2 PHE 52 HD2 PHE 52 -5.841 -5.166 -4.144 423 HE1 PHE 52 HE1 PHE 52 -8.302 -6.968 -8.070 424 HE2 PHE 52 HE2 PHE 52 -8.160 -6.004 -3.875 425 HZ PHE 52 HZ PHE 52 -9.397 -6.895 -5.839 426 H LEU 53 H LEU 53 -0.795 -6.950 -6.994 427 HA LEU 53 HA LEU 53 0.601 -5.110 -5.533 428 1HB LEU 53 1HB LEU 53 1.335 -7.424 -6.570 429 2HB LEU 53 2HB LEU 53 1.876 -6.490 -7.924 430 HG LEU 53 HG LEU 53 3.764 -6.869 -6.567 431 1HD1 LEU 53 1HD1 LEU 53 3.641 -4.466 -7.296 432 2HD1 LEU 53 2HD1 LEU 53 2.988 -4.061 -5.679 433 3HD1 LEU 53 3HD1 LEU 53 4.596 -4.740 -5.845 434 1HD2 LEU 53 1HD2 LEU 53 2.591 -7.562 -4.528 435 2HD2 LEU 53 2HD2 LEU 53 3.900 -6.422 -4.168 436 3HD2 LEU 53 3HD2 LEU 53 2.216 -5.861 -4.151 437 H ARG 54 H ARG 54 0.671 -5.137 -9.159 438 HA ARG 54 HA ARG 54 2.095 -2.706 -9.197 439 1HB ARG 54 1HB ARG 54 1.875 -4.423 -11.078 440 2HB ARG 54 2HB ARG 54 0.383 -3.583 -11.553 441 1HG ARG 54 1HG ARG 54 1.623 -1.494 -11.919 442 2HG ARG 54 2HG ARG 54 3.027 -2.177 -11.100 443 1HD ARG 54 1HD ARG 54 3.067 -3.909 -13.044 444 2HD ARG 54 2HD ARG 54 2.034 -2.734 -13.885 445 HE ARG 54 HE ARG 54 4.532 -1.735 -12.620 446 1HH1 ARG 54 2HH2 ARG 54 3.007 -2.644 -15.705 447 2HH1 ARG 54 1HH2 ARG 54 4.343 -2.093 -16.661 448 1HH2 ARG 54 2HH1 ARG 54 6.271 -1.244 -13.813 449 2HH2 ARG 54 1HH1 ARG 54 6.291 -1.163 -15.550 450 H ARG 55 H ARG 55 -1.360 -3.033 -8.508 451 HA ARG 55 HA ARG 55 -1.994 -0.444 -9.525 452 1HB ARG 55 1HB ARG 55 -3.301 -2.333 -7.551 453 2HB ARG 55 2HB ARG 55 -3.840 -0.717 -7.684 454 1HG ARG 55 1HG ARG 55 -3.848 -2.662 -9.999 455 2HG ARG 55 2HG ARG 55 -5.191 -2.467 -8.892 456 1HD ARG 55 1HD ARG 55 -4.404 0.078 -10.196 457 2HD ARG 55 2HD ARG 55 -4.873 -1.172 -11.327 458 HE ARG 55 HE ARG 55 -6.941 -1.397 -9.728 459 1HH1 ARG 55 2HH2 ARG 55 -5.603 1.759 -10.911 460 2HH1 ARG 55 1HH2 ARG 55 -7.119 2.529 -10.561 461 1HH2 ARG 55 2HH1 ARG 55 -8.976 -0.120 -9.506 462 2HH2 ARG 55 1HH1 ARG 55 -8.818 1.572 -9.751 463 H ILE 56 H ILE 56 -0.971 -1.886 -6.343 464 HA ILE 56 HA ILE 56 -1.016 0.589 -4.896 465 HB ILE 56 HB ILE 56 0.174 -2.146 -4.486 466 1HG1 ILE 56 1HG1 ILE 56 -1.352 -2.296 -2.679 467 2HG1 ILE 56 2HG1 ILE 56 -1.602 -0.558 -2.614 468 1HG2 ILE 56 3HG2 ILE 56 0.718 0.237 -2.666 469 2HG2 ILE 56 1HG2 ILE 56 1.002 -1.465 -2.248 470 3HG2 ILE 56 2HG2 ILE 56 1.921 -0.727 -3.547 471 1HD1 ILE 56 1HD1 ILE 56 -2.637 -2.325 -4.861 472 2HD1 ILE 56 2HD1 ILE 56 -3.576 -1.779 -3.463 473 3HD1 ILE 56 3HD1 ILE 56 -2.976 -0.600 -4.630 474 H SER 57 H SER 57 1.403 -0.786 -7.103 475 HA SER 57 HA SER 57 3.461 1.077 -6.399 476 1HB SER 57 1HB SER 57 3.928 -0.978 -7.675 477 2HB SER 57 2HB SER 57 2.860 -0.443 -8.983 478 HG SER 57 HG SER 57 4.796 0.060 -9.674 479 H TRP 58 H TRP 58 1.191 1.148 -9.255 480 HA TRP 58 HA TRP 58 1.666 3.772 -10.057 481 1HB TRP 58 1HB TRP 58 0.239 2.933 -11.569 482 2HB TRP 58 2HB TRP 58 -0.502 1.832 -10.424 483 HD1 TRP 58 HD1 TRP 58 -0.803 5.573 -11.411 484 HE1 TRP 58 HE1 TRP 58 -3.102 6.422 -10.804 485 HE3 TRP 58 HE3 TRP 58 -2.629 1.360 -9.291 486 HZ2 TRP 58 HZ2 TRP 58 -5.470 5.366 -9.327 487 HZ3 TRP 58 HZ3 TRP 58 -4.779 1.290 -8.195 488 HH2 TRP 58 HH2 TRP 58 -6.195 3.257 -8.089 489 H ASP 59 H ASP 59 -0.588 2.716 -7.523 490 HA ASP 59 HA ASP 59 -1.788 5.148 -6.876 491 1HB ASP 59 1HB ASP 59 -1.081 2.712 -5.184 492 2HB ASP 59 2HB ASP 59 -1.827 4.095 -4.462 493 HD2 ASP 59 HD2 ASP 59 -4.320 1.844 -6.261 494 H ILE 60 H ILE 60 1.165 3.787 -5.336 495 HA ILE 60 HA ILE 60 1.724 6.138 -3.777 496 HB ILE 60 HB ILE 60 3.131 3.566 -4.452 497 1HG1 ILE 60 1HG1 ILE 60 3.112 3.140 -2.129 498 2HG1 ILE 60 2HG1 ILE 60 2.741 4.812 -1.712 499 1HG2 ILE 60 2HG2 ILE 60 4.442 5.944 -3.090 500 2HG2 ILE 60 3HG2 ILE 60 5.040 4.276 -3.000 501 3HG2 ILE 60 1HG2 ILE 60 4.965 5.093 -4.564 502 1HD1 ILE 60 3HD1 ILE 60 0.796 2.867 -2.984 503 2HD1 ILE 60 1HD1 ILE 60 0.894 3.298 -1.269 504 3HD1 ILE 60 2HD1 ILE 60 0.444 4.536 -2.458 505 H LEU 61 H LEU 61 3.039 4.927 -6.916 506 HA LEU 61 HA LEU 61 4.937 6.965 -7.270 507 1HB LEU 61 1HB LEU 61 3.350 5.393 -9.331 508 2HB LEU 61 2HB LEU 61 4.717 6.421 -9.739 509 HG LEU 61 HG LEU 61 4.966 4.056 -7.833 510 1HD1 LEU 61 1HD1 LEU 61 5.516 4.188 -10.832 511 2HD1 LEU 61 2HD1 LEU 61 5.889 2.824 -9.756 512 3HD1 LEU 61 3HD1 LEU 61 4.210 3.270 -10.043 513 1HD2 LEU 61 2HD2 LEU 61 6.801 5.717 -7.654 514 2HD2 LEU 61 3HD2 LEU 61 7.341 4.178 -8.321 515 3HD2 LEU 61 1HD2 LEU 61 7.096 5.570 -9.395 516 H THR 62 H THR 62 1.480 7.003 -8.181 517 HA THR 62 HA THR 62 1.726 9.693 -9.348 518 HB THR 62 HB THR 62 -0.760 9.521 -9.605 519 HG1 THR 62 HG1 THR 62 -0.350 6.849 -8.717 520 1HG2 THR 62 3HG2 THR 62 0.812 8.894 -11.394 521 2HG2 THR 62 1HG2 THR 62 0.843 7.224 -10.797 522 3HG2 THR 62 2HG2 THR 62 -0.667 7.927 -11.435 523 H GLY 63 H GLY 63 2.202 8.952 -6.344 524 1HA GLY 63 1HA GLY 63 1.746 9.661 -4.262 525 2HA GLY 63 2HA GLY 63 1.783 11.259 -5.027 526 H LYS 64 H LYS 64 -0.669 8.571 -5.228 527 HA LYS 64 HA LYS 64 -2.715 10.655 -4.988 528 1HB LYS 64 1HB LYS 64 -2.832 8.807 -6.658 529 2HB LYS 64 2HB LYS 64 -2.910 7.618 -5.361 530 1HG LYS 64 1HG LYS 64 -5.068 8.626 -4.601 531 2HG LYS 64 2HG LYS 64 -4.977 9.803 -5.907 532 1HD LYS 64 1HD LYS 64 -5.186 6.775 -6.292 533 2HD LYS 64 2HD LYS 64 -6.540 7.906 -6.312 534 1HE LYS 64 1HE LYS 64 -4.926 9.092 -8.171 535 2HE LYS 64 2HE LYS 64 -4.415 7.415 -8.369 536 1HZ LYS 64 3HZ LYS 64 -6.802 6.845 -8.781 537 2HZ LYS 64 1HZ LYS 64 -7.216 8.401 -8.607 538 3HZ LYS 64 2HZ LYS 64 -6.258 7.935 -9.847 539 H LYS 65 H LYS 65 -4.171 10.745 -3.242 540 HA LYS 65 HA LYS 65 -2.897 9.959 -0.718 541 1HB LYS 65 1HB LYS 65 -5.278 11.648 -1.431 542 2HB LYS 65 2HB LYS 65 -5.074 11.137 0.224 543 1HG LYS 65 1HG LYS 65 -4.072 13.427 -0.760 544 2HG LYS 65 2HG LYS 65 -3.417 12.610 0.635 545 1HD LYS 65 1HD LYS 65 -2.207 12.230 -2.139 546 2HD LYS 65 2HD LYS 65 -1.793 13.562 -1.095 547 1HE LYS 65 1HE LYS 65 -0.439 12.378 0.215 548 2HE LYS 65 2HE LYS 65 -1.620 11.104 0.453 549 1HZ LYS 65 1HZ LYS 65 -0.871 10.108 -1.650 550 2HZ LYS 65 2HZ LYS 65 0.303 11.264 -1.780 551 3HZ LYS 65 3HZ LYS 65 0.246 10.193 -0.493 552 HA PRO 66 HA PRO 66 -4.446 6.159 0.194 553 1HB PRO 66 1HB PRO 66 -5.256 6.218 2.854 554 2HB PRO 66 2HB PRO 66 -3.565 6.192 2.280 555 1HG PRO 66 1HG PRO 66 -5.244 8.634 2.963 556 2HG PRO 66 2HG PRO 66 -3.597 8.240 3.549 557 1HD PRO 66 1HD PRO 66 -3.840 9.892 1.508 558 2HD PRO 66 2HD PRO 66 -2.663 8.546 1.345 559 H GLN 67 H GLN 67 -6.920 8.466 1.510 560 HA GLN 67 HA GLN 67 -9.041 6.590 1.435 561 1HB GLN 67 1HB GLN 67 -8.966 8.935 2.475 562 2HB GLN 67 2HB GLN 67 -9.363 9.581 0.895 563 1HG GLN 67 1HG GLN 67 -11.046 7.546 2.445 564 2HG GLN 67 2HG GLN 67 -11.258 9.280 2.569 565 1HE2 GLN 67 2HE2 GLN 67 -12.428 9.130 -1.098 566 2HE2 GLN 67 1HE2 GLN 67 -10.921 9.735 -0.462 567 H ALA 68 H ALA 68 -7.632 8.640 -1.144 568 HA ALA 68 HA ALA 68 -9.809 7.957 -3.015 569 1HB ALA 68 3HB ALA 68 -7.135 9.398 -3.445 570 2HB ALA 68 1HB ALA 68 -8.453 9.265 -4.627 571 3HB ALA 68 2HB ALA 68 -8.702 10.184 -3.133 572 H ILE 69 H ILE 69 -6.390 6.900 -2.397 573 HA ILE 69 HA ILE 69 -6.178 5.184 -4.657 574 HB ILE 69 HB ILE 69 -5.071 5.058 -1.799 575 1HG1 ILE 69 1HG1 ILE 69 -3.633 5.549 -4.424 576 2HG1 ILE 69 2HG1 ILE 69 -4.220 6.805 -3.391 577 1HG2 ILE 69 3HG2 ILE 69 -4.874 2.960 -3.942 578 2HG2 ILE 69 1HG2 ILE 69 -3.510 3.177 -2.845 579 3HG2 ILE 69 2HG2 ILE 69 -5.098 2.773 -2.211 580 1HD1 ILE 69 1HD1 ILE 69 -2.222 4.759 -2.347 581 2HD1 ILE 69 2HD1 ILE 69 -1.756 6.226 -3.189 582 3HD1 ILE 69 3HD1 ILE 69 -2.677 6.334 -1.676 583 H CYS 70 H CYS 70 -7.312 4.410 -1.367 584 HA CYS 70 HA CYS 70 -8.095 1.731 -1.985 585 1HB CYS 70 1HB CYS 70 -8.931 3.666 0.197 586 2HB CYS 70 2HB CYS 70 -9.286 1.918 0.167 587 H VAL 71 H VAL 71 -10.109 4.835 -2.317 588 HA VAL 71 HA VAL 71 -12.359 3.095 -2.921 589 HB VAL 71 HB VAL 71 -12.111 6.024 -3.673 590 1HG1 VAL 71 2HG1 VAL 71 -14.500 4.060 -3.389 591 2HG1 VAL 71 3HG1 VAL 71 -14.674 5.812 -3.646 592 3HG1 VAL 71 1HG1 VAL 71 -13.948 4.808 -4.895 593 1HG2 VAL 71 1HG2 VAL 71 -12.013 5.629 -1.164 594 2HG2 VAL 71 2HG2 VAL 71 -13.444 6.491 -1.703 595 3HG2 VAL 71 3HG2 VAL 71 -13.517 4.768 -1.311 596 H ASP 72 H ASP 72 -9.700 4.613 -4.922 597 HA ASP 72 HA ASP 72 -10.845 4.188 -7.466 598 1HB ASP 72 1HB ASP 72 -8.808 5.539 -6.878 599 2HB ASP 72 2HB ASP 72 -7.908 4.051 -6.666 600 H ILE 73 H ILE 73 -8.717 2.086 -5.538 601 HA ILE 73 HA ILE 73 -9.070 -0.179 -7.391 602 HB ILE 73 HB ILE 73 -7.491 -1.321 -6.031 603 1HG1 ILE 73 1HG1 ILE 73 -7.964 0.907 -4.009 604 2HG1 ILE 73 2HG1 ILE 73 -8.256 -0.798 -3.806 605 1HG2 ILE 73 3HG2 ILE 73 -6.769 0.511 -7.576 606 2HG2 ILE 73 1HG2 ILE 73 -6.520 1.534 -6.152 607 3HG2 ILE 73 2HG2 ILE 73 -5.602 0.013 -6.346 608 1HD1 ILE 73 2HD1 ILE 73 -5.827 -1.234 -3.972 609 2HD1 ILE 73 3HD1 ILE 73 -5.536 0.525 -4.091 610 3HD1 ILE 73 1HD1 ILE 73 -6.238 -0.138 -2.620 611 H LYS 74 H LYS 74 -11.017 1.135 -5.193 612 HA LYS 74 HA LYS 74 -12.687 0.858 -3.980 613 1HB LYS 74 1HB LYS 74 -13.249 0.356 -6.327 614 2HB LYS 74 2HB LYS 74 -13.248 -1.366 -5.927 615 1HG LYS 74 1HG LYS 74 -14.922 0.777 -4.575 616 2HG LYS 74 2HG LYS 74 -15.370 -0.155 -5.953 617 1HD LYS 74 1HD LYS 74 -14.952 -1.146 -3.099 618 2HD LYS 74 2HD LYS 74 -16.494 -0.883 -3.870 619 1HE LYS 74 1HE LYS 74 -16.575 -2.946 -4.665 620 2HE LYS 74 2HE LYS 74 -15.039 -2.734 -5.527 621 1HZ LYS 74 2HZ LYS 74 -15.168 -3.381 -2.639 622 2HZ LYS 74 3HZ LYS 74 -15.037 -4.552 -3.811 623 3HZ LYS 74 1HZ LYS 74 -13.877 -3.383 -3.564 624 H ILE 75 H ILE 75 -11.500 0.421 -2.293 625 HA ILE 75 HA ILE 75 -12.255 -1.971 -0.734 626 HB ILE 75 HB ILE 75 -9.545 -0.581 -0.660 627 1HG1 ILE 75 1HG1 ILE 75 -10.019 -3.401 -1.757 628 2HG1 ILE 75 2HG1 ILE 75 -9.818 -1.987 -2.780 629 1HG2 ILE 75 3HG2 ILE 75 -10.567 -3.125 0.658 630 2HG2 ILE 75 1HG2 ILE 75 -8.890 -2.585 0.760 631 3HG2 ILE 75 2HG2 ILE 75 -10.147 -1.595 1.475 632 1HD1 ILE 75 3HD1 ILE 75 -7.628 -1.526 -1.573 633 2HD1 ILE 75 1HD1 ILE 75 -7.730 -3.187 -0.965 634 3HD1 ILE 75 2HD1 ILE 75 -7.679 -2.882 -2.713 635 H CYS 76 H CYS 76 -12.016 1.490 -1.152 636 HA CYS 76 HA CYS 76 -12.878 1.869 1.644 637 1HB CYS 76 1HB CYS 76 -10.700 2.930 1.342 638 2HB CYS 76 2HB CYS 76 -11.374 3.917 0.043 639 H LYS 77 H LYS 77 -14.149 3.980 1.773 640 HA LYS 77 HA LYS 77 -16.214 4.829 1.591 641 1HB LYS 77 1HB LYS 77 -15.174 6.053 -0.325 642 2HB LYS 77 2HB LYS 77 -15.753 4.783 -1.410 643 1HG LYS 77 1HG LYS 77 -17.075 6.833 -1.538 644 2HG LYS 77 2HG LYS 77 -18.026 5.439 -1.119 645 1HD LYS 77 1HD LYS 77 -18.867 7.170 0.176 646 2HD LYS 77 2HD LYS 77 -17.957 6.217 1.323 647 1HE LYS 77 1HE LYS 77 -16.934 8.748 -0.078 648 2HE LYS 77 2HE LYS 77 -17.751 8.748 1.485 649 1HZ LYS 77 2HZ LYS 77 -15.945 7.322 2.320 650 2HZ LYS 77 3HZ LYS 77 -15.110 7.530 0.909 651 3HZ LYS 77 1HZ LYS 77 -15.429 8.808 1.849 652 H GLU 78 H GLU 78 -15.671 2.006 1.712 653 HA GLU 78 HA GLU 78 -17.912 0.881 0.349 654 1HB GLU 78 1HB GLU 78 -15.708 -0.350 2.115 655 2HB GLU 78 2HB GLU 78 -17.088 -1.259 1.500 656 1HG GLU 78 1HG GLU 78 -16.307 -0.630 -0.852 657 2HG GLU 78 2HG GLU 78 -14.813 -0.060 -0.100 No H/Q in entry = 657 Start of MODEL 15 1 1H GLY 1 3H GLY 1 -17.146 0.460 4.830 2 2H GLY 1 1H GLY 1 -18.348 -0.545 4.489 3 3H GLY 1 2H GLY 1 -17.946 -0.278 6.080 4 1HA GLY 1 1HA GLY 1 -17.136 -2.440 5.344 5 2HA GLY 1 2HA GLY 1 -16.322 -1.608 4.015 6 H TYR 2 H TYR 2 -15.703 -3.024 6.952 7 HA TYR 2 HA TYR 2 -13.820 -1.463 8.331 8 1HB TYR 2 1HB TYR 2 -14.613 -3.567 9.174 9 2HB TYR 2 2HB TYR 2 -14.112 -4.422 7.726 10 HD1 TYR 2 HD1 TYR 2 -12.382 -2.243 10.337 11 HD2 TYR 2 HD2 TYR 2 -12.383 -5.914 8.056 12 HE1 TYR 2 HE1 TYR 2 -10.293 -2.950 11.453 13 HE2 TYR 2 HE2 TYR 2 -10.311 -6.619 9.178 14 HH TYR 2 HH TYR 2 -8.909 -6.179 11.049 15 H PHE 3 H PHE 3 -13.535 -3.048 5.204 16 HA PHE 3 HA PHE 3 -10.789 -3.099 4.816 17 1HB PHE 3 1HB PHE 3 -13.170 -2.708 3.000 18 2HB PHE 3 2HB PHE 3 -11.549 -2.599 2.388 19 HD1 PHE 3 HD2 PHE 3 -11.659 -5.139 5.014 20 HD2 PHE 3 HD1 PHE 3 -12.492 -4.339 0.845 21 HE1 PHE 3 HE2 PHE 3 -11.447 -7.531 4.505 22 HE2 PHE 3 HE1 PHE 3 -12.266 -6.739 0.344 23 HZ PHE 3 HZ PHE 3 -11.723 -8.348 2.175 24 H CYS 4 H CYS 4 -12.921 -0.168 4.589 25 HA CYS 4 HA CYS 4 -11.066 1.320 3.138 26 1HB CYS 4 1HB CYS 4 -13.359 2.246 3.617 27 2HB CYS 4 2HB CYS 4 -12.960 2.328 5.321 28 H GLU 5 H GLU 5 -11.406 1.451 6.761 29 HA GLU 5 HA GLU 5 -9.191 3.215 7.000 30 1HB GLU 5 1HB GLU 5 -11.054 2.794 8.718 31 2HB GLU 5 2HB GLU 5 -10.105 1.409 9.258 32 1HG GLU 5 1HG GLU 5 -9.220 4.342 9.163 33 2HG GLU 5 2HG GLU 5 -9.660 3.442 10.612 34 H SER 6 H SER 6 -9.487 -0.334 7.449 35 HA SER 6 HA SER 6 -6.887 -1.006 8.061 36 1HB SER 6 1HB SER 6 -8.708 -2.485 6.110 37 2HB SER 6 2HB SER 6 -7.402 -3.161 7.100 38 HG SER 6 HG SER 6 -9.969 -2.292 7.879 39 H CYS 7 H CYS 7 -8.210 -0.536 4.739 40 HA CYS 7 HA CYS 7 -5.806 -0.997 3.285 41 1HB CYS 7 1HB CYS 7 -8.028 -1.098 2.351 42 2HB CYS 7 2HB CYS 7 -8.319 0.599 2.670 43 H ARG 8 H ARG 8 -7.360 2.037 4.434 44 HA ARG 8 HA ARG 8 -5.383 3.826 3.500 45 1HB ARG 8 1HB ARG 8 -7.451 4.695 4.224 46 2HB ARG 8 2HB ARG 8 -7.376 3.928 5.796 47 1HG ARG 8 1HG ARG 8 -5.237 5.943 5.140 48 2HG ARG 8 2HG ARG 8 -6.875 6.532 5.432 49 1HD ARG 8 1HD ARG 8 -6.971 5.576 7.625 50 2HD ARG 8 2HD ARG 8 -5.470 4.678 7.398 51 HE ARG 8 HE ARG 8 -4.652 7.258 7.013 52 1HH1 ARG 8 2HH2 ARG 8 -6.291 5.573 9.705 53 2HH1 ARG 8 1HH2 ARG 8 -5.823 6.771 10.867 54 1HH2 ARG 8 2HH1 ARG 8 -3.785 8.561 8.507 55 2HH2 ARG 8 1HH1 ARG 8 -4.252 8.537 10.178 56 H LYS 9 H LYS 9 -5.516 2.013 6.606 57 HA LYS 9 HA LYS 9 -3.124 3.121 7.660 58 1HB LYS 9 1HB LYS 9 -4.933 1.974 8.929 59 2HB LYS 9 2HB LYS 9 -4.453 0.428 8.226 60 1HG LYS 9 1HG LYS 9 -2.276 0.549 9.282 61 2HG LYS 9 2HG LYS 9 -2.588 2.178 9.894 62 1HD LYS 9 1HD LYS 9 -4.466 -0.080 10.671 63 2HD LYS 9 2HD LYS 9 -2.870 0.003 11.399 64 1HE LYS 9 1HE LYS 9 -4.359 1.071 12.898 65 2HE LYS 9 2HE LYS 9 -3.324 2.325 12.193 66 1HZ LYS 9 3HZ LYS 9 -6.103 1.756 11.300 67 2HZ LYS 9 1HZ LYS 9 -5.699 2.934 12.350 68 3HZ LYS 9 2HZ LYS 9 -5.233 2.957 10.781 69 H ILE 10 H ILE 10 -3.692 0.160 5.709 70 HA ILE 10 HA ILE 10 -1.031 -0.796 5.608 71 HB ILE 10 HB ILE 10 -3.313 -1.022 3.640 72 1HG1 ILE 10 1HG1 ILE 10 -2.010 -3.192 5.332 73 2HG1 ILE 10 2HG1 ILE 10 -3.254 -2.162 6.011 74 1HG2 ILE 10 3HG2 ILE 10 -0.564 -2.330 3.532 75 2HG2 ILE 10 1HG2 ILE 10 -1.952 -2.879 2.574 76 3HG2 ILE 10 2HG2 ILE 10 -1.286 -1.276 2.301 77 1HD1 ILE 10 3HD1 ILE 10 -3.659 -3.820 3.495 78 2HD1 ILE 10 1HD1 ILE 10 -4.182 -4.278 5.113 79 3HD1 ILE 10 2HD1 ILE 10 -4.873 -2.839 4.341 80 H ILE 11 H ILE 11 -2.677 1.433 3.264 81 HA ILE 11 HA ILE 11 -0.247 1.854 1.855 82 HB ILE 11 HB ILE 11 -2.860 3.244 1.814 83 1HG1 ILE 11 1HG1 ILE 11 -1.472 2.261 -0.653 84 2HG1 ILE 11 2HG1 ILE 11 -1.635 0.987 0.551 85 1HG2 ILE 11 3HG2 ILE 11 -0.374 4.136 0.268 86 2HG2 ILE 11 1HG2 ILE 11 -2.037 4.670 -0.032 87 3HG2 ILE 11 2HG2 ILE 11 -1.221 5.104 1.472 88 1HD1 ILE 11 1HD1 ILE 11 -3.899 2.716 -0.380 89 2HD1 ILE 11 2HD1 ILE 11 -3.516 1.051 -0.941 90 3HD1 ILE 11 3HD1 ILE 11 -3.969 1.338 0.762 91 H GLN 12 H GLN 12 -1.734 3.778 4.555 92 HA GLN 12 HA GLN 12 0.019 5.943 4.404 93 1HB GLN 12 1HB GLN 12 -1.356 4.671 6.798 94 2HB GLN 12 2HB GLN 12 -0.436 6.171 6.924 95 1HG GLN 12 1HG GLN 12 -2.415 6.147 4.702 96 2HG GLN 12 2HG GLN 12 -3.098 5.976 6.306 97 1HE2 GLN 12 2HE2 GLN 12 -1.102 9.514 5.476 98 2HE2 GLN 12 1HE2 GLN 12 -0.726 8.141 4.480 99 H LYS 13 H LYS 13 0.542 2.897 6.312 100 HA LYS 13 HA LYS 13 3.060 3.949 7.284 101 1HB LYS 13 1HB LYS 13 1.665 2.107 8.376 102 2HB LYS 13 2HB LYS 13 2.256 1.022 7.119 103 1HG LYS 13 1HG LYS 13 3.484 0.742 9.196 104 2HG LYS 13 2HG LYS 13 4.568 1.285 7.930 105 1HD LYS 13 1HD LYS 13 3.351 3.414 9.699 106 2HD LYS 13 2HD LYS 13 4.518 2.313 10.444 107 1HE LYS 13 1HE LYS 13 6.193 2.851 8.711 108 2HE LYS 13 2HE LYS 13 5.066 3.940 7.922 109 1HZ LYS 13 1HZ LYS 13 6.139 4.425 10.659 110 2HZ LYS 13 2HZ LYS 13 6.569 5.145 9.217 111 3HZ LYS 13 3HZ LYS 13 5.166 5.437 9.731 112 H LEU 14 H LEU 14 2.100 2.286 4.341 113 HA LEU 14 HA LEU 14 4.742 1.477 3.491 114 1HB LEU 14 1HB LEU 14 2.293 0.816 2.611 115 2HB LEU 14 2HB LEU 14 2.456 2.249 1.645 116 HG LEU 14 HG LEU 14 4.133 -0.241 1.531 117 1HD1 LEU 14 1HD1 LEU 14 2.210 1.161 -0.363 118 2HD1 LEU 14 2HD1 LEU 14 3.159 -0.242 -0.811 119 3HD1 LEU 14 3HD1 LEU 14 1.952 -0.378 0.485 120 1HD2 LEU 14 2HD2 LEU 14 4.652 2.314 -0.013 121 2HD2 LEU 14 3HD2 LEU 14 5.740 1.511 1.142 122 3HD2 LEU 14 1HD2 LEU 14 5.356 0.720 -0.378 123 H GLU 15 H GLU 15 2.591 4.182 2.745 124 HA GLU 15 HA GLU 15 4.059 5.707 0.961 125 1HB GLU 15 1HB GLU 15 1.579 5.656 1.498 126 2HB GLU 15 2HB GLU 15 1.933 6.394 3.055 127 1HG GLU 15 1HG GLU 15 2.726 8.429 1.701 128 2HG GLU 15 2HG GLU 15 2.021 7.616 0.299 129 H ASP 16 H ASP 16 3.724 6.048 4.491 130 HA ASP 16 HA ASP 16 5.526 8.176 4.966 131 1HB ASP 16 1HB ASP 16 3.978 7.423 6.643 132 2HB ASP 16 2HB ASP 16 4.463 5.745 6.450 133 H MET 17 H MET 17 6.170 4.631 4.887 134 HA MET 17 HA MET 17 8.947 5.049 5.562 135 1HB MET 17 1HB MET 17 7.327 2.657 4.608 136 2HB MET 17 2HB MET 17 9.093 2.583 4.721 137 1HG MET 17 1HG MET 17 9.074 3.145 7.051 138 2HG MET 17 2HG MET 17 7.349 3.471 7.027 139 1HE MET 17 1HE MET 17 9.753 0.454 5.905 140 2HE MET 17 2HE MET 17 8.660 -0.923 6.195 141 3HE MET 17 3HE MET 17 8.265 0.271 4.950 142 H VAL 18 H VAL 18 7.274 4.364 2.429 143 HA VAL 18 HA VAL 18 9.771 4.139 1.010 144 HB VAL 18 HB VAL 18 7.473 3.129 0.477 145 1HG1 VAL 18 2HG1 VAL 18 6.189 5.244 0.469 146 2HG1 VAL 18 3HG1 VAL 18 7.007 5.698 -1.029 147 3HG1 VAL 18 1HG1 VAL 18 5.987 4.246 -0.985 148 1HG2 VAL 18 3HG2 VAL 18 9.468 4.174 -1.479 149 2HG2 VAL 18 1HG2 VAL 18 9.177 2.548 -0.861 150 3HG2 VAL 18 2HG2 VAL 18 8.039 3.253 -2.015 151 H GLY 19 H GLY 19 7.677 6.777 1.975 152 1HA GLY 19 1HA GLY 19 8.153 8.954 2.159 153 2HA GLY 19 2HA GLY 19 9.631 8.776 1.189 154 HA PRO 20 HA PRO 20 6.018 10.465 -1.255 155 1HB PRO 20 1HB PRO 20 6.468 13.158 -1.389 156 2HB PRO 20 2HB PRO 20 5.841 12.384 0.095 157 1HG PRO 20 1HG PRO 20 8.745 13.037 -0.550 158 2HG PRO 20 2HG PRO 20 7.817 13.493 0.915 159 1HD PRO 20 1HD PRO 20 9.410 11.267 0.823 160 2HD PRO 20 2HD PRO 20 7.877 11.288 1.748 161 H GLN 21 H GLN 21 9.099 10.052 -1.966 162 HA GLN 21 HA GLN 21 8.646 10.459 -4.863 163 1HB GLN 21 1HB GLN 21 11.101 11.592 -3.447 164 2HB GLN 21 2HB GLN 21 11.027 11.234 -5.168 165 1HG GLN 21 1HG GLN 21 10.599 13.465 -5.170 166 2HG GLN 21 2HG GLN 21 8.983 12.784 -5.294 167 1HE2 GLN 21 2HE2 GLN 21 7.982 14.737 -2.515 168 2HE2 GLN 21 1HE2 GLN 21 7.495 13.716 -3.880 169 HA PRO 22 HA PRO 22 10.687 6.469 -3.768 170 1HB PRO 22 1HB PRO 22 8.728 4.691 -3.868 171 2HB PRO 22 2HB PRO 22 8.741 5.932 -2.568 172 1HG PRO 22 1HG PRO 22 7.182 6.012 -5.162 173 2HG PRO 22 2HG PRO 22 6.578 6.223 -3.479 174 1HD PRO 22 1HD PRO 22 7.353 8.349 -5.113 175 2HD PRO 22 2HD PRO 22 7.409 8.372 -3.326 176 H ASN 23 H ASN 23 10.627 4.315 -5.147 177 HA ASN 23 HA ASN 23 9.921 4.671 -7.980 178 1HB ASN 23 1HB ASN 23 12.056 3.706 -8.701 179 2HB ASN 23 2HB ASN 23 12.331 5.209 -7.821 180 1HD2 ASN 23 2HD2 ASN 23 14.107 1.895 -6.407 181 2HD2 ASN 23 1HD2 ASN 23 13.438 1.940 -8.025 182 H GLU 24 H GLU 24 9.575 2.633 -8.975 183 HA GLU 24 HA GLU 24 7.846 0.957 -7.857 184 1HB GLU 24 1HB GLU 24 8.514 1.239 -10.258 185 2HB GLU 24 2HB GLU 24 9.924 0.251 -9.950 186 1HG GLU 24 1HG GLU 24 8.465 -1.242 -10.959 187 2HG GLU 24 2HG GLU 24 8.229 -1.630 -9.261 188 H ASP 25 H ASP 25 11.398 0.233 -7.708 189 HA ASP 25 HA ASP 25 10.950 -2.381 -6.524 190 1HB ASP 25 1HB ASP 25 13.087 -1.993 -7.598 191 2HB ASP 25 2HB ASP 25 13.443 -0.644 -6.497 192 H THR 26 H THR 26 12.087 0.774 -5.144 193 HA THR 26 HA THR 26 12.123 0.052 -2.524 194 HB THR 26 HB THR 26 11.298 2.794 -3.581 195 HG1 THR 26 HG1 THR 26 13.310 2.965 -4.281 196 1HG2 THR 26 1HG2 THR 26 11.389 2.516 -1.054 197 2HG2 THR 26 2HG2 THR 26 13.064 1.974 -1.212 198 3HG2 THR 26 3HG2 THR 26 12.617 3.628 -1.678 199 H VAL 27 H VAL 27 9.295 1.095 -4.434 200 HA VAL 27 HA VAL 27 7.461 1.092 -2.198 201 HB VAL 27 HB VAL 27 6.723 0.466 -5.087 202 1HG1 VAL 27 2HG1 VAL 27 5.201 1.495 -2.644 203 2HG1 VAL 27 3HG1 VAL 27 4.560 1.554 -4.281 204 3HG1 VAL 27 1HG1 VAL 27 4.913 -0.016 -3.543 205 1HG2 VAL 27 1HG2 VAL 27 7.887 2.678 -5.021 206 2HG2 VAL 27 2HG2 VAL 27 6.184 2.816 -5.410 207 3HG2 VAL 27 3HG2 VAL 27 6.758 3.220 -3.781 208 H THR 28 H THR 28 8.424 -1.476 -4.543 209 HA THR 28 HA THR 28 6.665 -3.473 -3.579 210 HB THR 28 HB THR 28 9.316 -3.648 -5.078 211 HG1 THR 28 HG1 THR 28 7.920 -2.578 -6.315 212 1HG2 THR 28 2HG2 THR 28 7.111 -5.719 -4.733 213 2HG2 THR 28 3HG2 THR 28 8.482 -5.823 -5.870 214 3HG2 THR 28 1HG2 THR 28 8.787 -5.838 -4.131 215 H GLN 29 H GLN 29 10.124 -2.788 -2.670 216 HA GLN 29 HA GLN 29 10.133 -4.920 -0.722 217 1HB GLN 29 1HB GLN 29 12.176 -3.859 0.176 218 2HB GLN 29 2HB GLN 29 12.232 -4.382 -1.505 219 1HG GLN 29 1HG GLN 29 12.205 -2.195 -2.338 220 2HG GLN 29 2HG GLN 29 11.727 -1.495 -0.777 221 1HE2 GLN 29 2HE2 GLN 29 15.637 -1.848 -1.615 222 2HE2 GLN 29 1HE2 GLN 29 14.406 -2.074 -2.842 223 H ALA 30 H ALA 30 9.626 -1.339 -0.386 224 HA ALA 30 HA ALA 30 9.296 -1.348 2.401 225 1HB ALA 30 3HB ALA 30 9.562 0.719 1.095 226 2HB ALA 30 1HB ALA 30 7.962 0.472 0.354 227 3HB ALA 30 2HB ALA 30 8.100 0.789 2.095 228 H ALA 31 H ALA 31 6.929 -2.084 -0.142 229 HA ALA 31 HA ALA 31 4.648 -2.332 1.614 230 1HB ALA 31 3HB ALA 31 4.579 -1.818 -0.878 231 2HB ALA 31 1HB ALA 31 5.121 -3.461 -1.217 232 3HB ALA 31 2HB ALA 31 3.554 -3.189 -0.432 233 H SER 32 H SER 32 6.859 -4.785 0.049 234 HA SER 32 HA SER 32 5.434 -7.017 1.229 235 1HB SER 32 1HB SER 32 7.608 -8.268 0.864 236 2HB SER 32 2HB SER 32 6.878 -7.552 -0.585 237 HG SER 32 HG SER 32 8.379 -5.932 -0.562 238 H GLN 33 H GLN 33 7.828 -4.798 2.532 239 HA GLN 33 HA GLN 33 7.770 -6.146 5.123 240 1HB GLN 33 1HB GLN 33 8.952 -3.556 4.020 241 2HB GLN 33 2HB GLN 33 8.921 -3.866 5.751 242 1HG GLN 33 1HG GLN 33 10.220 -5.712 3.701 243 2HG GLN 33 2HG GLN 33 11.071 -4.542 4.719 244 1HE2 GLN 33 2HE2 GLN 33 10.318 -8.117 6.321 245 2HE2 GLN 33 1HE2 GLN 33 10.331 -7.806 4.586 246 H VAL 34 H VAL 34 5.983 -3.373 3.606 247 HA VAL 34 HA VAL 34 5.097 -2.215 5.898 248 HB VAL 34 HB VAL 34 4.562 -1.460 3.536 249 1HG1 VAL 34 3HG1 VAL 34 2.938 -3.332 2.801 250 2HG1 VAL 34 1HG1 VAL 34 1.833 -2.662 3.983 251 3HG1 VAL 34 2HG1 VAL 34 2.386 -1.675 2.630 252 1HG2 VAL 34 1HG2 VAL 34 2.760 -1.154 5.886 253 2HG2 VAL 34 2HG2 VAL 34 4.163 -0.157 5.351 254 3HG2 VAL 34 3HG2 VAL 34 2.652 -0.176 4.422 255 H CYS 35 H CYS 35 3.846 -5.011 4.174 256 HA CYS 35 HA CYS 35 1.597 -5.569 5.851 257 1HB CYS 35 1HB CYS 35 3.245 -7.530 4.212 258 2HB CYS 35 2HB CYS 35 1.605 -7.755 4.821 259 H ASP 36 H ASP 36 4.965 -7.087 5.792 260 HA ASP 36 HA ASP 36 4.342 -8.732 8.036 261 1HB ASP 36 1HB ASP 36 6.431 -9.016 6.672 262 2HB ASP 36 2HB ASP 36 7.132 -7.661 7.596 263 H LYS 37 H LYS 37 5.578 -5.428 7.948 264 HA LYS 37 HA LYS 37 6.095 -5.231 10.735 265 1HB LYS 37 1HB LYS 37 7.009 -3.990 8.701 266 2HB LYS 37 2HB LYS 37 5.564 -2.979 8.739 267 1HG LYS 37 1HG LYS 37 6.284 -2.036 10.889 268 2HG LYS 37 2HG LYS 37 7.591 -3.244 11.015 269 1HD LYS 37 1HD LYS 37 8.566 -2.383 8.872 270 2HD LYS 37 2HD LYS 37 7.313 -1.134 8.829 271 1HE LYS 37 1HE LYS 37 8.210 -0.147 10.904 272 2HE LYS 37 2HE LYS 37 9.394 -1.459 11.035 273 1HZ LYS 37 1HZ LYS 37 9.296 0.486 8.803 274 2HZ LYS 37 2HZ LYS 37 10.356 0.545 10.062 275 3HZ LYS 37 3HZ LYS 37 10.415 -0.701 9.002 276 H LEU 38 H LEU 38 3.227 -4.275 8.720 277 HA LEU 38 HA LEU 38 1.749 -3.441 11.149 278 1HB LEU 38 1HB LEU 38 0.909 -3.851 8.243 279 2HB LEU 38 2HB LEU 38 -0.196 -3.385 9.528 280 HG LEU 38 HG LEU 38 2.197 -1.710 8.643 281 1HD1 LEU 38 2HD1 LEU 38 -0.790 -1.479 8.044 282 2HD1 LEU 38 3HD1 LEU 38 0.438 -0.277 7.604 283 3HD1 LEU 38 1HD1 LEU 38 0.503 -1.894 6.892 284 1HD2 LEU 38 2HD2 LEU 38 -0.121 -1.103 10.541 285 2HD2 LEU 38 3HD2 LEU 38 1.601 -1.218 10.971 286 3HD2 LEU 38 1HD2 LEU 38 1.042 0.094 9.933 287 H LYS 39 H LYS 39 2.282 -5.484 12.233 288 HA LYS 39 HA LYS 39 1.262 -7.884 10.996 289 1HB LYS 39 1HB LYS 39 2.039 -9.099 13.030 290 2HB LYS 39 2HB LYS 39 3.195 -8.316 11.989 291 1HG LYS 39 1HG LYS 39 3.201 -6.371 13.726 292 2HG LYS 39 2HG LYS 39 2.353 -7.512 14.772 293 1HD LYS 39 1HD LYS 39 4.630 -7.666 15.332 294 2HD LYS 39 2HD LYS 39 4.321 -9.127 14.417 295 1HE LYS 39 1HE LYS 39 5.518 -6.630 13.114 296 2HE LYS 39 2HE LYS 39 6.519 -7.725 14.068 297 1HZ LYS 39 3HZ LYS 39 5.878 -9.523 12.492 298 2HZ LYS 39 1HZ LYS 39 5.133 -8.374 11.547 299 3HZ LYS 39 2HZ LYS 39 6.690 -8.340 11.744 300 H ILE 40 H ILE 40 -0.186 -9.424 12.224 301 HA ILE 40 HA ILE 40 -2.261 -9.990 12.899 302 HB ILE 40 HB ILE 40 -2.712 -7.119 13.856 303 1HG1 ILE 40 1HG1 ILE 40 -2.213 -9.685 15.436 304 2HG1 ILE 40 2HG1 ILE 40 -0.977 -8.468 15.113 305 1HG2 ILE 40 1HG2 ILE 40 -4.824 -8.172 13.158 306 2HG2 ILE 40 2HG2 ILE 40 -4.476 -9.573 14.191 307 3HG2 ILE 40 3HG2 ILE 40 -4.753 -7.965 14.892 308 1HD1 ILE 40 3HD1 ILE 40 -2.355 -6.760 16.308 309 2HD1 ILE 40 1HD1 ILE 40 -3.489 -8.054 16.772 310 3HD1 ILE 40 2HD1 ILE 40 -1.812 -8.106 17.329 311 H LEU 41 H LEU 41 -2.335 -6.654 11.532 312 HA LEU 41 HA LEU 41 -4.442 -7.400 9.667 313 1HB LEU 41 1HB LEU 41 -4.100 -5.257 11.011 314 2HB LEU 41 2HB LEU 41 -2.837 -4.808 9.893 315 HG LEU 41 HG LEU 41 -5.274 -3.859 9.772 316 1HD1 LEU 41 1HD1 LEU 41 -3.545 -3.214 8.243 317 2HD1 LEU 41 2HD1 LEU 41 -3.825 -4.650 7.251 318 3HD1 LEU 41 3HD1 LEU 41 -5.083 -3.405 7.398 319 1HD2 LEU 41 3HD2 LEU 41 -6.446 -6.020 9.679 320 2HD2 LEU 41 1HD2 LEU 41 -6.841 -4.973 8.320 321 3HD2 LEU 41 2HD2 LEU 41 -5.728 -6.339 8.080 322 H ARG 42 H ARG 42 -1.336 -8.072 9.636 323 HA ARG 42 HA ARG 42 -0.142 -7.694 7.176 324 1HB ARG 42 1HB ARG 42 0.863 -8.670 9.145 325 2HB ARG 42 2HB ARG 42 -0.219 -10.056 9.106 326 1HG ARG 42 1HG ARG 42 0.999 -10.895 7.080 327 2HG ARG 42 2HG ARG 42 2.101 -9.502 7.212 328 1HD ARG 42 1HD ARG 42 2.488 -10.196 9.649 329 2HD ARG 42 2HD ARG 42 1.611 -11.683 9.309 330 HE ARG 42 HE ARG 42 4.323 -10.858 8.425 331 1HH1 ARG 42 2HH2 ARG 42 2.010 -13.572 8.513 332 2HH1 ARG 42 1HH2 ARG 42 3.279 -14.741 8.424 333 1HH2 ARG 42 2HH1 ARG 42 5.828 -12.263 8.361 334 2HH2 ARG 42 1HH1 ARG 42 5.595 -13.987 8.265 335 H GLY 43 H GLY 43 -2.676 -10.040 8.100 336 1HA GLY 43 1HA GLY 43 -2.668 -11.697 5.802 337 2HA GLY 43 2HA GLY 43 -4.054 -11.402 6.865 338 H LEU 44 H LEU 44 -4.630 -8.717 6.491 339 HA LEU 44 HA LEU 44 -6.041 -8.829 4.012 340 1HB LEU 44 1HB LEU 44 -6.815 -7.509 5.991 341 2HB LEU 44 2HB LEU 44 -5.451 -6.407 5.761 342 HG LEU 44 HG LEU 44 -6.340 -5.840 3.473 343 1HD1 LEU 44 3HD1 LEU 44 -8.742 -7.490 4.381 344 2HD1 LEU 44 1HD1 LEU 44 -8.733 -6.385 2.993 345 3HD1 LEU 44 2HD1 LEU 44 -7.702 -7.816 2.970 346 1HD2 LEU 44 3HD2 LEU 44 -8.238 -5.349 5.796 347 2HD2 LEU 44 1HD2 LEU 44 -6.790 -4.402 5.374 348 3HD2 LEU 44 2HD2 LEU 44 -8.179 -4.422 4.279 349 H CYS 45 H CYS 45 -3.169 -6.905 5.041 350 HA CYS 45 HA CYS 45 -2.558 -5.654 2.671 351 1HB CYS 45 1HB CYS 45 -1.544 -5.394 4.931 352 2HB CYS 45 2HB CYS 45 -0.638 -6.877 4.688 353 H LYS 46 H LYS 46 -1.507 -9.028 3.602 354 HA LYS 46 HA LYS 46 -0.217 -9.408 1.039 355 1HB LYS 46 1HB LYS 46 -1.309 -11.611 2.835 356 2HB LYS 46 2HB LYS 46 -0.238 -11.809 1.464 357 1HG LYS 46 1HG LYS 46 0.378 -10.944 4.234 358 2HG LYS 46 2HG LYS 46 1.236 -12.052 3.192 359 1HD LYS 46 1HD LYS 46 1.252 -9.041 2.971 360 2HD LYS 46 2HD LYS 46 2.490 -9.997 3.782 361 1HE LYS 46 1HE LYS 46 3.115 -11.038 1.630 362 2HE LYS 46 2HE LYS 46 1.861 -10.101 0.803 363 1HZ LYS 46 3HZ LYS 46 3.039 -8.071 1.467 364 2HZ LYS 46 1HZ LYS 46 4.215 -8.952 2.205 365 3HZ LYS 46 2HZ LYS 46 4.011 -9.052 0.583 366 H LYS 47 H LYS 47 -3.600 -10.072 2.106 367 HA LYS 47 HA LYS 47 -4.352 -11.447 -0.266 368 1HB LYS 47 1HB LYS 47 -5.787 -11.357 1.741 369 2HB LYS 47 2HB LYS 47 -6.063 -9.629 1.493 370 1HG LYS 47 1HG LYS 47 -7.183 -10.087 -0.664 371 2HG LYS 47 2HG LYS 47 -6.872 -11.823 -0.471 372 1HD LYS 47 1HD LYS 47 -8.329 -11.892 1.515 373 2HD LYS 47 2HD LYS 47 -8.496 -10.136 1.479 374 1HE LYS 47 1HE LYS 47 -10.514 -11.047 0.584 375 2HE LYS 47 2HE LYS 47 -9.633 -10.267 -0.730 376 1HZ LYS 47 3HZ LYS 47 -9.732 -13.184 -0.217 377 2HZ LYS 47 1HZ LYS 47 -10.548 -12.387 -1.391 378 3HZ LYS 47 2HZ LYS 47 -8.912 -12.465 -1.456 379 H ILE 48 H ILE 48 -4.522 -7.922 0.463 380 HA ILE 48 HA ILE 48 -5.535 -7.124 -2.063 381 HB ILE 48 HB ILE 48 -3.832 -5.649 -0.010 382 1HG1 ILE 48 1HG1 ILE 48 -6.819 -5.438 -0.647 383 2HG1 ILE 48 2HG1 ILE 48 -6.173 -6.431 0.650 384 1HG2 ILE 48 3HG2 ILE 48 -3.562 -4.561 -2.237 385 2HG2 ILE 48 1HG2 ILE 48 -5.327 -4.479 -2.410 386 3HG2 ILE 48 2HG2 ILE 48 -4.491 -3.546 -1.153 387 1HD1 ILE 48 1HD1 ILE 48 -5.192 -4.408 1.724 388 2HD1 ILE 48 2HD1 ILE 48 -5.984 -3.399 0.490 389 3HD1 ILE 48 3HD1 ILE 48 -6.963 -4.368 1.593 390 H MET 49 H MET 49 -2.105 -7.267 -0.903 391 HA MET 49 HA MET 49 -1.034 -6.527 -3.479 392 1HB MET 49 1HB MET 49 0.234 -7.739 -1.009 393 2HB MET 49 2HB MET 49 1.130 -7.216 -2.456 394 1HG MET 49 1HG MET 49 0.194 -4.961 -2.287 395 2HG MET 49 2HG MET 49 -0.789 -5.430 -0.901 396 1HE MET 49 2HE MET 49 -0.180 -3.437 0.402 397 2HE MET 49 3HE MET 49 1.474 -2.893 0.749 398 3HE MET 49 1HE MET 49 0.855 -2.833 -0.912 399 H ARG 50 H ARG 50 -2.051 -9.768 -2.321 400 HA ARG 50 HA ARG 50 -0.542 -11.028 -4.471 401 1HB ARG 50 1HB ARG 50 -1.369 -12.346 -2.549 402 2HB ARG 50 2HB ARG 50 -3.030 -11.989 -2.969 403 1HG ARG 50 1HG ARG 50 -2.351 -14.275 -3.684 404 2HG ARG 50 2HG ARG 50 -2.920 -13.274 -5.010 405 1HD ARG 50 1HD ARG 50 -0.451 -12.814 -5.582 406 2HD ARG 50 2HD ARG 50 -0.036 -14.016 -4.366 407 HE ARG 50 HE ARG 50 -0.728 -15.697 -5.765 408 1HH1 ARG 50 2HH2 ARG 50 -1.748 -12.579 -7.242 409 2HH1 ARG 50 1HH2 ARG 50 -1.970 -13.257 -8.800 410 1HH2 ARG 50 2HH1 ARG 50 -1.057 -16.573 -7.881 411 2HH2 ARG 50 1HH1 ARG 50 -1.597 -15.572 -9.163 412 H SER 51 H SER 51 -3.778 -9.820 -4.006 413 HA SER 51 HA SER 51 -4.901 -10.642 -6.497 414 1HB SER 51 1HB SER 51 -6.024 -9.964 -4.277 415 2HB SER 51 2HB SER 51 -5.830 -8.286 -4.793 416 HG SER 51 HG SER 51 -7.202 -8.698 -6.503 417 H PHE 52 H PHE 52 -3.663 -7.403 -5.438 418 HA PHE 52 HA PHE 52 -3.400 -6.589 -8.295 419 1HB PHE 52 1HB PHE 52 -4.438 -4.800 -6.072 420 2HB PHE 52 2HB PHE 52 -4.528 -4.542 -7.802 421 HD1 PHE 52 HD2 PHE 52 -5.900 -6.768 -8.981 422 HD2 PHE 52 HD1 PHE 52 -6.493 -4.983 -5.085 423 HE1 PHE 52 HE2 PHE 52 -8.245 -7.564 -8.957 424 HE2 PHE 52 HE1 PHE 52 -8.837 -5.762 -5.092 425 HZ PHE 52 HZ PHE 52 -9.720 -7.052 -7.023 426 H LEU 53 H LEU 53 -1.133 -7.467 -7.321 427 HA LEU 53 HA LEU 53 0.220 -6.019 -5.407 428 1HB LEU 53 1HB LEU 53 0.869 -8.221 -6.644 429 2HB LEU 53 2HB LEU 53 1.675 -7.215 -7.802 430 HG LEU 53 HG LEU 53 2.188 -7.002 -4.798 431 1HD1 LEU 53 1HD1 LEU 53 2.629 -9.277 -5.517 432 2HD1 LEU 53 2HD1 LEU 53 3.685 -8.686 -6.825 433 3HD1 LEU 53 3HD1 LEU 53 4.136 -8.435 -5.123 434 1HD2 LEU 53 1HD2 LEU 53 3.795 -6.004 -7.182 435 2HD2 LEU 53 2HD2 LEU 53 3.077 -5.042 -5.862 436 3HD2 LEU 53 3HD2 LEU 53 4.425 -6.104 -5.528 437 H ARG 54 H ARG 54 1.002 -5.583 -8.911 438 HA ARG 54 HA ARG 54 2.464 -3.219 -8.328 439 1HB ARG 54 1HB ARG 54 2.708 -4.800 -10.316 440 2HB ARG 54 2HB ARG 54 1.396 -3.910 -11.089 441 1HG ARG 54 1HG ARG 54 3.606 -2.222 -9.980 442 2HG ARG 54 2HG ARG 54 4.115 -3.342 -11.229 443 1HD ARG 54 1HD ARG 54 2.483 -2.406 -12.801 444 2HD ARG 54 2HD ARG 54 1.927 -1.255 -11.566 445 HE ARG 54 HE ARG 54 4.552 -0.690 -11.559 446 1HH1 ARG 54 2HH2 ARG 54 2.488 -1.102 -14.429 447 2HH1 ARG 54 1HH2 ARG 54 3.461 -0.051 -15.406 448 1HH2 ARG 54 2HH1 ARG 54 5.742 0.565 -12.762 449 2HH2 ARG 54 1HH1 ARG 54 5.437 0.990 -14.429 450 H ARG 55 H ARG 55 -0.981 -3.516 -8.426 451 HA ARG 55 HA ARG 55 -1.543 -0.896 -9.484 452 1HB ARG 55 1HB ARG 55 -3.033 -2.913 -7.776 453 2HB ARG 55 2HB ARG 55 -3.638 -1.309 -7.950 454 1HG ARG 55 1HG ARG 55 -3.108 -3.084 -10.356 455 2HG ARG 55 2HG ARG 55 -4.647 -3.078 -9.499 456 1HD ARG 55 1HD ARG 55 -4.984 -0.754 -9.955 457 2HD ARG 55 2HD ARG 55 -3.407 -0.629 -10.788 458 HE ARG 55 HE ARG 55 -4.949 -2.603 -12.072 459 1HH1 ARG 55 2HH2 ARG 55 -5.068 0.922 -11.480 460 2HH1 ARG 55 1HH2 ARG 55 -5.955 1.284 -12.899 461 1HH2 ARG 55 2HH1 ARG 55 -6.160 -2.098 -14.023 462 2HH2 ARG 55 1HH1 ARG 55 -6.579 -0.471 -14.375 463 H ILE 56 H ILE 56 -0.968 -2.316 -6.146 464 HA ILE 56 HA ILE 56 -1.437 0.185 -4.900 465 HB ILE 56 HB ILE 56 0.385 -1.983 -3.821 466 1HG1 ILE 56 1HG1 ILE 56 -1.605 -3.144 -4.346 467 2HG1 ILE 56 2HG1 ILE 56 -1.707 -2.782 -2.636 468 1HG2 ILE 56 2HG2 ILE 56 -1.253 0.223 -2.485 469 2HG2 ILE 56 3HG2 ILE 56 -0.454 -1.096 -1.609 470 3HG2 ILE 56 1HG2 ILE 56 0.510 0.071 -2.518 471 1HD1 ILE 56 2HD1 ILE 56 -3.247 -0.853 -3.178 472 2HD1 ILE 56 3HD1 ILE 56 -3.194 -1.338 -4.884 473 3HD1 ILE 56 1HD1 ILE 56 -3.879 -2.435 -3.693 474 H SER 57 H SER 57 1.466 -1.086 -6.502 475 HA SER 57 HA SER 57 3.122 1.080 -5.606 476 1HB SER 57 1HB SER 57 3.916 -1.192 -6.457 477 2HB SER 57 2HB SER 57 3.412 -0.698 -8.085 478 HG SER 57 HG SER 57 5.429 -0.200 -8.055 479 H TRP 58 H TRP 58 1.287 0.579 -8.749 480 HA TRP 58 HA TRP 58 1.901 3.062 -9.925 481 1HB TRP 58 1HB TRP 58 0.550 1.985 -11.394 482 2HB TRP 58 2HB TRP 58 -0.314 1.122 -10.142 483 HD1 TRP 58 HD1 TRP 58 -0.376 4.791 -11.481 484 HE1 TRP 58 HE1 TRP 58 -2.723 5.690 -11.294 485 HE3 TRP 58 HE3 TRP 58 -2.640 0.903 -9.095 486 HZ2 TRP 58 HZ2 TRP 58 -5.484 4.446 -11.040 487 HZ3 TRP 58 HZ3 TRP 58 -4.982 0.908 -8.693 488 HH2 TRP 58 HH2 TRP 58 -6.483 2.505 -9.689 489 H ASP 59 H ASP 59 -0.605 2.313 -7.564 490 HA ASP 59 HA ASP 59 -1.786 4.835 -7.232 491 1HB ASP 59 1HB ASP 59 -1.430 2.384 -5.509 492 2HB ASP 59 2HB ASP 59 -2.137 3.801 -4.823 493 HD1 ASP 59 HD2 ASP 59 -5.046 3.498 -7.099 494 H ILE 60 H ILE 60 1.017 3.475 -5.417 495 HA ILE 60 HA ILE 60 1.570 5.845 -3.906 496 HB ILE 60 HB ILE 60 3.161 3.394 -4.728 497 1HG1 ILE 60 1HG1 ILE 60 1.222 3.170 -3.066 498 2HG1 ILE 60 2HG1 ILE 60 2.790 2.506 -2.604 499 1HG2 ILE 60 1HG2 ILE 60 4.114 5.664 -2.965 500 2HG2 ILE 60 2HG2 ILE 60 4.814 4.029 -2.949 501 3HG2 ILE 60 3HG2 ILE 60 4.865 4.991 -4.428 502 1HD1 ILE 60 2HD1 ILE 60 1.661 5.142 -1.664 503 2HD1 ILE 60 3HD1 ILE 60 1.633 3.591 -0.780 504 3HD1 ILE 60 1HD1 ILE 60 3.185 4.370 -1.122 505 H LEU 61 H LEU 61 3.070 4.579 -6.914 506 HA LEU 61 HA LEU 61 4.936 6.637 -7.281 507 1HB LEU 61 1HB LEU 61 3.564 4.816 -9.291 508 2HB LEU 61 2HB LEU 61 4.945 5.831 -9.690 509 HG LEU 61 HG LEU 61 5.088 3.746 -7.474 510 1HD1 LEU 61 3HD1 LEU 61 5.795 3.393 -10.421 511 2HD1 LEU 61 1HD1 LEU 61 6.122 2.232 -9.116 512 3HD1 LEU 61 2HD1 LEU 61 4.459 2.597 -9.556 513 1HD2 LEU 61 2HD2 LEU 61 6.889 5.489 -7.514 514 2HD2 LEU 61 3HD2 LEU 61 7.471 3.852 -7.809 515 3HD2 LEU 61 1HD2 LEU 61 7.296 4.990 -9.165 516 H THR 62 H THR 62 1.522 6.566 -8.240 517 HA THR 62 HA THR 62 1.796 9.120 -9.704 518 HB THR 62 HB THR 62 -0.713 8.924 -9.940 519 HG1 THR 62 HG1 THR 62 -0.225 6.312 -8.928 520 1HG2 THR 62 1HG2 THR 62 0.860 8.274 -11.701 521 2HG2 THR 62 2HG2 THR 62 0.992 6.644 -11.017 522 3HG2 THR 62 3HG2 THR 62 -0.559 7.220 -11.688 523 H GLY 63 H GLY 63 2.249 8.627 -6.648 524 1HA GLY 63 1HA GLY 63 1.870 9.541 -4.656 525 2HA GLY 63 2HA GLY 63 1.852 11.072 -5.548 526 H LYS 64 H LYS 64 -0.503 8.294 -5.485 527 HA LYS 64 HA LYS 64 -2.625 10.345 -5.178 528 1HB LYS 64 1HB LYS 64 -2.702 8.504 -6.827 529 2HB LYS 64 2HB LYS 64 -2.738 7.299 -5.548 530 1HG LYS 64 1HG LYS 64 -4.932 8.390 -4.775 531 2HG LYS 64 2HG LYS 64 -4.849 9.390 -6.235 532 1HD LYS 64 1HD LYS 64 -5.081 6.360 -6.062 533 2HD LYS 64 2HD LYS 64 -6.292 7.486 -6.676 534 1HE LYS 64 1HE LYS 64 -4.791 8.050 -8.591 535 2HE LYS 64 2HE LYS 64 -3.554 6.959 -7.944 536 1HZ LYS 64 2HZ LYS 64 -5.176 5.135 -8.186 537 2HZ LYS 64 3HZ LYS 64 -6.240 6.087 -8.882 538 3HZ LYS 64 1HZ LYS 64 -4.793 5.818 -9.618 539 H LYS 65 H LYS 65 -3.889 10.407 -3.301 540 HA LYS 65 HA LYS 65 -2.444 9.524 -0.896 541 1HB LYS 65 1HB LYS 65 -4.729 11.398 -1.303 542 2HB LYS 65 2HB LYS 65 -4.488 10.719 0.291 543 1HG LYS 65 1HG LYS 65 -3.402 12.908 -0.024 544 2HG LYS 65 2HG LYS 65 -2.305 11.660 0.508 545 1HD LYS 65 1HD LYS 65 -2.436 12.531 -2.396 546 2HD LYS 65 2HD LYS 65 -1.520 13.423 -1.205 547 1HE LYS 65 1HE LYS 65 -0.975 10.541 -2.032 548 2HE LYS 65 2HE LYS 65 -0.088 11.973 -2.516 549 1HZ LYS 65 3HZ LYS 65 0.455 12.235 -0.077 550 2HZ LYS 65 1HZ LYS 65 -0.119 10.687 0.144 551 3HZ LYS 65 2HZ LYS 65 1.110 10.930 -0.832 552 HA PRO 66 HA PRO 66 -4.056 5.770 0.163 553 1HB PRO 66 1HB PRO 66 -4.842 6.002 2.860 554 2HB PRO 66 2HB PRO 66 -3.184 5.747 2.268 555 1HG PRO 66 1HG PRO 66 -4.543 8.375 2.934 556 2HG PRO 66 2HG PRO 66 -2.899 7.828 3.387 557 1HD PRO 66 1HD PRO 66 -3.106 9.456 1.364 558 2HD PRO 66 2HD PRO 66 -2.125 7.979 1.133 559 H GLN 67 H GLN 67 -6.339 8.132 1.671 560 HA GLN 67 HA GLN 67 -8.544 6.385 1.776 561 1HB GLN 67 1HB GLN 67 -8.259 8.630 2.882 562 2HB GLN 67 2HB GLN 67 -8.598 9.414 1.344 563 1HG GLN 67 1HG GLN 67 -10.519 7.506 2.764 564 2HG GLN 67 2HG GLN 67 -10.505 9.243 3.036 565 1HE2 GLN 67 2HE2 GLN 67 -11.872 9.946 -0.279 566 2HE2 GLN 67 1HE2 GLN 67 -10.621 10.605 0.759 567 H ALA 68 H ALA 68 -7.349 8.449 -0.882 568 HA ALA 68 HA ALA 68 -9.648 7.830 -2.591 569 1HB ALA 68 1HB ALA 68 -8.458 10.015 -2.762 570 2HB ALA 68 2HB ALA 68 -6.954 9.168 -3.211 571 3HB ALA 68 3HB ALA 68 -8.367 9.108 -4.283 572 H ILE 69 H ILE 69 -6.198 6.635 -2.302 573 HA ILE 69 HA ILE 69 -6.240 4.947 -4.583 574 HB ILE 69 HB ILE 69 -4.927 4.653 -1.840 575 1HG1 ILE 69 1HG1 ILE 69 -3.671 5.206 -4.545 576 2HG1 ILE 69 2HG1 ILE 69 -4.178 6.475 -3.485 577 1HG2 ILE 69 1HG2 ILE 69 -4.780 2.779 -4.220 578 2HG2 ILE 69 2HG2 ILE 69 -3.505 2.808 -2.990 579 3HG2 ILE 69 3HG2 ILE 69 -5.144 2.381 -2.546 580 1HD1 ILE 69 3HD1 ILE 69 -2.190 4.380 -2.500 581 2HD1 ILE 69 1HD1 ILE 69 -1.716 5.855 -3.324 582 3HD1 ILE 69 2HD1 ILE 69 -2.609 5.945 -1.791 583 H CYS 70 H CYS 70 -7.345 4.309 -1.254 584 HA CYS 70 HA CYS 70 -8.296 1.663 -1.870 585 1HB CYS 70 1HB CYS 70 -9.038 3.631 0.323 586 2HB CYS 70 2HB CYS 70 -9.399 1.884 0.325 587 H VAL 71 H VAL 71 -10.154 4.894 -2.101 588 HA VAL 71 HA VAL 71 -12.448 3.251 -2.799 589 HB VAL 71 HB VAL 71 -12.134 6.206 -3.413 590 1HG1 VAL 71 2HG1 VAL 71 -14.555 4.277 -3.189 591 2HG1 VAL 71 3HG1 VAL 71 -14.692 6.045 -3.374 592 3HG1 VAL 71 1HG1 VAL 71 -13.999 5.075 -4.671 593 1HG2 VAL 71 1HG2 VAL 71 -11.972 5.799 -0.972 594 2HG2 VAL 71 2HG2 VAL 71 -13.483 6.578 -1.397 595 3HG2 VAL 71 3HG2 VAL 71 -13.462 4.856 -1.047 596 H ASP 72 H ASP 72 -9.805 4.763 -4.649 597 HA ASP 72 HA ASP 72 -10.581 4.584 -7.289 598 1HB ASP 72 1HB ASP 72 -8.713 5.799 -6.592 599 2HB ASP 72 2HB ASP 72 -7.986 4.447 -5.780 600 H ILE 73 H ILE 73 -8.745 1.999 -5.519 601 HA ILE 73 HA ILE 73 -9.611 0.122 -7.677 602 HB ILE 73 HB ILE 73 -8.114 -1.476 -6.791 603 1HG1 ILE 73 1HG1 ILE 73 -8.170 0.256 -4.388 604 2HG1 ILE 73 2HG1 ILE 73 -7.867 -1.463 -4.563 605 1HG2 ILE 73 3HG2 ILE 73 -7.357 0.097 -8.443 606 2HG2 ILE 73 1HG2 ILE 73 -6.690 1.133 -7.162 607 3HG2 ILE 73 2HG2 ILE 73 -6.066 -0.520 -7.413 608 1HD1 ILE 73 2HD1 ILE 73 -5.534 -0.963 -5.222 609 2HD1 ILE 73 3HD1 ILE 73 -5.872 0.777 -5.008 610 3HD1 ILE 73 1HD1 ILE 73 -5.949 -0.314 -3.612 611 H LYS 74 H LYS 74 -11.126 1.331 -5.206 612 HA LYS 74 HA LYS 74 -12.755 1.056 -3.920 613 1HB LYS 74 1HB LYS 74 -13.454 0.684 -6.243 614 2HB LYS 74 2HB LYS 74 -13.469 -1.053 -5.947 615 1HG LYS 74 1HG LYS 74 -15.047 1.000 -4.356 616 2HG LYS 74 2HG LYS 74 -15.558 0.265 -5.838 617 1HD LYS 74 1HD LYS 74 -15.088 -1.095 -3.163 618 2HD LYS 74 2HD LYS 74 -16.654 -0.747 -3.861 619 1HE LYS 74 1HE LYS 74 -16.712 -2.697 -4.926 620 2HE LYS 74 2HE LYS 74 -15.199 -2.329 -5.779 621 1HZ LYS 74 3HZ LYS 74 -15.321 -3.402 -3.023 622 2HZ LYS 74 1HZ LYS 74 -15.066 -4.353 -4.362 623 3HZ LYS 74 2HZ LYS 74 -13.991 -3.174 -3.884 624 H ILE 75 H ILE 75 -11.603 0.547 -2.303 625 HA ILE 75 HA ILE 75 -12.156 -1.894 -0.751 626 HB ILE 75 HB ILE 75 -9.520 -0.354 -0.832 627 1HG1 ILE 75 1HG1 ILE 75 -10.148 -3.109 -1.993 628 2HG1 ILE 75 2HG1 ILE 75 -9.748 -1.652 -2.910 629 1HG2 ILE 75 2HG2 ILE 75 -10.006 -1.335 1.368 630 2HG2 ILE 75 3HG2 ILE 75 -10.295 -2.921 0.611 631 3HG2 ILE 75 1HG2 ILE 75 -8.679 -2.188 0.627 632 1HD1 ILE 75 2HD1 ILE 75 -7.517 -1.576 -1.786 633 2HD1 ILE 75 3HD1 ILE 75 -7.874 -3.187 -1.105 634 3HD1 ILE 75 1HD1 ILE 75 -7.791 -2.977 -2.851 635 H CYS 76 H CYS 76 -12.084 1.606 -1.111 636 HA CYS 76 HA CYS 76 -12.901 1.895 1.700 637 1HB CYS 76 1HB CYS 76 -10.776 3.036 1.455 638 2HB CYS 76 2HB CYS 76 -11.432 3.997 0.131 639 H LYS 77 H LYS 77 -14.254 3.981 1.869 640 HA LYS 77 HA LYS 77 -16.387 4.635 1.741 641 1HB LYS 77 1HB LYS 77 -15.388 6.074 0.011 642 2HB LYS 77 2HB LYS 77 -15.815 4.899 -1.235 643 1HG LYS 77 1HG LYS 77 -18.114 5.696 0.456 644 2HG LYS 77 2HG LYS 77 -17.353 7.074 -0.309 645 1HD LYS 77 1HD LYS 77 -17.941 6.477 -2.435 646 2HD LYS 77 2HD LYS 77 -17.896 4.741 -2.131 647 1HE LYS 77 1HE LYS 77 -20.015 6.502 -0.855 648 2HE LYS 77 2HE LYS 77 -20.216 5.884 -2.502 649 1HZ LYS 77 2HZ LYS 77 -19.590 4.057 -0.282 650 2HZ LYS 77 3HZ LYS 77 -21.160 4.467 -0.635 651 3HZ LYS 77 1HZ LYS 77 -20.195 3.687 -1.725 652 H GLU 78 H GLU 78 -15.683 1.818 1.605 653 HA GLU 78 HA GLU 78 -17.855 0.690 0.136 654 1HB GLU 78 1HB GLU 78 -15.604 -0.546 1.827 655 2HB GLU 78 2HB GLU 78 -16.926 -1.493 1.152 656 1HG GLU 78 1HG GLU 78 -16.237 -0.567 -1.146 657 2HG GLU 78 2HG GLU 78 -14.741 -0.062 -0.365 No H/Q in entry = 657 Start of MODEL 16 1 1H GLY 1 3H GLY 1 -16.821 0.468 4.371 2 2H GLY 1 1H GLY 1 -15.954 -0.413 3.311 3 3H GLY 1 2H GLY 1 -17.584 -0.601 3.369 4 1HA GLY 1 1HA GLY 1 -17.482 -1.524 5.588 5 2HA GLY 1 2HA GLY 1 -16.466 -2.448 4.459 6 H TYR 2 H TYR 2 -15.713 -2.837 7.028 7 HA TYR 2 HA TYR 2 -13.802 -1.262 8.272 8 1HB TYR 2 1HB TYR 2 -14.495 -3.409 9.147 9 2HB TYR 2 2HB TYR 2 -13.918 -4.251 7.719 10 HD1 TYR 2 HD2 TYR 2 -12.681 -2.200 10.634 11 HD2 TYR 2 HD1 TYR 2 -11.758 -5.267 7.732 12 HE1 TYR 2 HE2 TYR 2 -10.606 -2.704 11.833 13 HE2 TYR 2 HE1 TYR 2 -9.664 -5.778 8.949 14 HH TYR 2 HH TYR 2 -8.933 -4.339 12.097 15 H PHE 3 H PHE 3 -13.489 -3.205 5.337 16 HA PHE 3 HA PHE 3 -10.879 -3.108 4.667 17 1HB PHE 3 1HB PHE 3 -13.399 -2.728 3.026 18 2HB PHE 3 2HB PHE 3 -11.821 -2.702 2.287 19 HD1 PHE 3 HD1 PHE 3 -10.202 -4.618 2.644 20 HD2 PHE 3 HD2 PHE 3 -14.454 -4.903 3.340 21 HE1 PHE 3 HE1 PHE 3 -10.086 -7.082 2.379 22 HE2 PHE 3 HE2 PHE 3 -14.321 -7.364 3.087 23 HZ PHE 3 HZ PHE 3 -12.151 -8.452 2.604 24 H CYS 4 H CYS 4 -13.032 -0.176 4.471 25 HA CYS 4 HA CYS 4 -11.181 1.307 2.881 26 1HB CYS 4 1HB CYS 4 -13.638 1.941 3.406 27 2HB CYS 4 2HB CYS 4 -13.044 2.553 4.943 28 H GLU 5 H GLU 5 -11.676 1.167 6.428 29 HA GLU 5 HA GLU 5 -9.693 3.067 7.181 30 1HB GLU 5 1HB GLU 5 -11.496 2.374 8.652 31 2HB GLU 5 2HB GLU 5 -11.005 0.692 8.604 32 1HG GLU 5 1HG GLU 5 -9.328 2.937 9.795 33 2HG GLU 5 2HG GLU 5 -10.443 1.929 10.720 34 H SER 6 H SER 6 -9.608 -0.541 7.220 35 HA SER 6 HA SER 6 -6.859 -0.556 7.821 36 1HB SER 6 1HB SER 6 -8.788 -2.666 6.888 37 2HB SER 6 2HB SER 6 -7.051 -3.026 7.050 38 HG SER 6 HG SER 6 -8.570 -1.731 9.110 39 H CYS 7 H CYS 7 -8.406 -0.605 4.588 40 HA CYS 7 HA CYS 7 -6.047 -1.081 3.045 41 1HB CYS 7 1HB CYS 7 -8.217 -1.184 2.041 42 2HB CYS 7 2HB CYS 7 -8.609 0.458 2.532 43 H ARG 8 H ARG 8 -7.601 1.969 4.253 44 HA ARG 8 HA ARG 8 -5.669 3.707 3.188 45 1HB ARG 8 1HB ARG 8 -7.890 4.444 4.137 46 2HB ARG 8 2HB ARG 8 -7.277 4.096 5.759 47 1HG ARG 8 1HG ARG 8 -5.326 5.733 5.105 48 2HG ARG 8 2HG ARG 8 -6.415 6.265 3.824 49 1HD ARG 8 1HD ARG 8 -8.061 6.978 5.471 50 2HD ARG 8 2HD ARG 8 -7.141 6.229 6.777 51 HE ARG 8 HE ARG 8 -5.228 7.805 6.045 52 1HH1 ARG 8 2HH2 ARG 8 -8.627 8.947 5.947 53 2HH1 ARG 8 1HH2 ARG 8 -8.212 10.474 6.623 54 1HH2 ARG 8 2HH1 ARG 8 -4.700 9.767 6.659 55 2HH2 ARG 8 1HH1 ARG 8 -5.864 11.018 6.973 56 H LYS 9 H LYS 9 -5.865 2.297 6.481 57 HA LYS 9 HA LYS 9 -3.495 3.302 7.584 58 1HB LYS 9 1HB LYS 9 -5.252 2.230 8.847 59 2HB LYS 9 2HB LYS 9 -5.052 0.731 7.950 60 1HG LYS 9 1HG LYS 9 -2.861 0.332 9.018 61 2HG LYS 9 2HG LYS 9 -2.987 1.892 9.854 62 1HD LYS 9 1HD LYS 9 -3.641 0.148 11.411 63 2HD LYS 9 2HD LYS 9 -5.061 1.099 10.982 64 1HE LYS 9 1HE LYS 9 -5.215 -0.861 9.077 65 2HE LYS 9 2HE LYS 9 -4.374 -1.762 10.337 66 1HZ LYS 9 1HZ LYS 9 -6.926 -0.295 10.645 67 2HZ LYS 9 2HZ LYS 9 -6.869 -1.872 10.376 68 3HZ LYS 9 3HZ LYS 9 -6.273 -1.240 11.804 69 H ILE 10 H ILE 10 -3.955 0.370 5.592 70 HA ILE 10 HA ILE 10 -1.310 -0.650 5.817 71 HB ILE 10 HB ILE 10 -3.617 -1.053 3.893 72 1HG1 ILE 10 1HG1 ILE 10 -2.098 -3.024 5.650 73 2HG1 ILE 10 2HG1 ILE 10 -3.405 -2.049 6.280 74 1HG2 ILE 10 2HG2 ILE 10 -0.823 -2.179 3.603 75 2HG2 ILE 10 3HG2 ILE 10 -2.248 -2.938 2.853 76 3HG2 ILE 10 1HG2 ILE 10 -1.771 -1.314 2.385 77 1HD1 ILE 10 3HD1 ILE 10 -3.741 -4.013 3.970 78 2HD1 ILE 10 1HD1 ILE 10 -4.190 -4.311 5.641 79 3HD1 ILE 10 2HD1 ILE 10 -5.015 -3.044 4.721 80 H ILE 11 H ILE 11 -2.727 1.376 3.096 81 HA ILE 11 HA ILE 11 -0.072 1.729 2.087 82 HB ILE 11 HB ILE 11 -2.636 3.174 1.458 83 1HG1 ILE 11 1HG1 ILE 11 -1.839 2.201 -0.888 84 2HG1 ILE 11 2HG1 ILE 11 -0.904 1.091 0.097 85 1HG2 ILE 11 1HG2 ILE 11 0.220 3.696 0.505 86 2HG2 ILE 11 2HG2 ILE 11 -1.157 4.284 -0.399 87 3HG2 ILE 11 3HG2 ILE 11 -0.883 4.878 1.221 88 1HD1 ILE 11 3HD1 ILE 11 -3.930 1.498 0.169 89 2HD1 ILE 11 1HD1 ILE 11 -3.074 0.158 -0.610 90 3HD1 ILE 11 2HD1 ILE 11 -3.031 0.309 1.150 91 H GLN 12 H GLN 12 -1.925 3.727 4.487 92 HA GLN 12 HA GLN 12 -0.258 5.962 4.370 93 1HB GLN 12 1HB GLN 12 -1.573 4.716 6.807 94 2HB GLN 12 2HB GLN 12 -0.745 6.267 6.870 95 1HG GLN 12 1HG GLN 12 -2.925 5.880 4.826 96 2HG GLN 12 2HG GLN 12 -3.347 6.080 6.511 97 1HE2 GLN 12 2HE2 GLN 12 -1.458 9.392 4.885 98 2HE2 GLN 12 1HE2 GLN 12 -0.896 7.899 4.270 99 H LYS 13 H LYS 13 0.407 2.994 6.378 100 HA LYS 13 HA LYS 13 2.963 4.142 7.168 101 1HB LYS 13 1HB LYS 13 1.764 2.572 8.612 102 2HB LYS 13 2HB LYS 13 1.979 1.292 7.420 103 1HG LYS 13 1HG LYS 13 3.540 1.215 9.400 104 2HG LYS 13 2HG LYS 13 4.317 1.160 7.828 105 1HD LYS 13 1HD LYS 13 5.598 2.499 9.403 106 2HD LYS 13 2HD LYS 13 5.049 3.472 8.050 107 1HE LYS 13 1HE LYS 13 3.308 4.483 9.357 108 2HE LYS 13 2HE LYS 13 3.736 3.500 10.781 109 1HZ LYS 13 1HZ LYS 13 5.794 5.134 9.479 110 2HZ LYS 13 2HZ LYS 13 4.747 5.962 10.224 111 3HZ LYS 13 3HZ LYS 13 5.641 4.845 11.100 112 H LEU 14 H LEU 14 1.894 2.280 4.377 113 HA LEU 14 HA LEU 14 4.502 1.416 3.484 114 1HB LEU 14 1HB LEU 14 2.059 0.823 2.625 115 2HB LEU 14 2HB LEU 14 2.233 2.270 1.666 116 HG LEU 14 HG LEU 14 3.800 -0.282 1.489 117 1HD1 LEU 14 1HD1 LEU 14 2.005 1.305 -0.387 118 2HD1 LEU 14 2HD1 LEU 14 2.841 -0.162 -0.851 119 3HD1 LEU 14 3HD1 LEU 14 1.615 -0.226 0.429 120 1HD2 LEU 14 2HD2 LEU 14 4.498 2.279 0.022 121 2HD2 LEU 14 3HD2 LEU 14 5.522 1.376 1.160 122 3HD2 LEU 14 1HD2 LEU 14 5.099 0.655 -0.385 123 H GLU 15 H GLU 15 2.478 4.220 2.741 124 HA GLU 15 HA GLU 15 4.049 5.678 0.963 125 1HB GLU 15 1HB GLU 15 1.568 5.710 1.457 126 2HB GLU 15 2HB GLU 15 1.909 6.474 3.002 127 1HG GLU 15 1HG GLU 15 2.730 8.484 1.729 128 2HG GLU 15 2HG GLU 15 2.261 7.658 0.235 129 H ASP 16 H ASP 16 3.600 6.071 4.481 130 HA ASP 16 HA ASP 16 5.502 8.058 5.051 131 1HB ASP 16 1HB ASP 16 3.857 7.402 6.656 132 2HB ASP 16 2HB ASP 16 4.235 5.699 6.460 133 H MET 17 H MET 17 6.043 4.510 4.788 134 HA MET 17 HA MET 17 8.820 4.878 5.624 135 1HB MET 17 1HB MET 17 7.295 2.427 4.680 136 2HB MET 17 2HB MET 17 9.032 2.424 5.053 137 1HG MET 17 1HG MET 17 8.486 3.414 7.310 138 2HG MET 17 2HG MET 17 6.796 3.159 6.947 139 1HE MET 17 1HE MET 17 6.002 0.612 6.131 140 2HE MET 17 2HE MET 17 7.508 0.092 5.340 141 3HE MET 17 3HE MET 17 6.824 -0.880 6.660 142 H VAL 18 H VAL 18 7.174 4.200 2.469 143 HA VAL 18 HA VAL 18 9.694 3.819 1.115 144 HB VAL 18 HB VAL 18 7.308 3.074 0.429 145 1HG1 VAL 18 1HG1 VAL 18 6.259 5.317 0.407 146 2HG1 VAL 18 2HG1 VAL 18 7.252 5.736 -0.996 147 3HG1 VAL 18 3HG1 VAL 18 6.078 4.416 -1.113 148 1HG2 VAL 18 2HG2 VAL 18 9.410 4.029 -1.488 149 2HG2 VAL 18 3HG2 VAL 18 9.085 2.407 -0.857 150 3HG2 VAL 18 1HG2 VAL 18 7.957 3.129 -2.006 151 H GLY 19 H GLY 19 7.648 6.625 1.920 152 1HA GLY 19 1HA GLY 19 8.294 8.744 2.276 153 2HA GLY 19 2HA GLY 19 9.932 8.358 1.712 154 HA PRO 20 HA PRO 20 7.822 10.838 -1.634 155 1HB PRO 20 1HB PRO 20 9.634 12.836 -1.939 156 2HB PRO 20 2HB PRO 20 8.464 12.850 -0.582 157 1HG PRO 20 1HG PRO 20 11.346 11.891 -0.548 158 2HG PRO 20 2HG PRO 20 10.540 13.007 0.603 159 1HD PRO 20 1HD PRO 20 10.815 10.301 1.026 160 2HD PRO 20 2HD PRO 20 9.404 11.244 1.650 161 H GLN 21 H GLN 21 8.704 11.329 -3.657 162 HA GLN 21 HA GLN 21 9.141 10.207 -5.649 163 1HB GLN 21 1HB GLN 21 11.950 10.981 -4.784 164 2HB GLN 21 2HB GLN 21 11.317 10.859 -6.428 165 1HG GLN 21 1HG GLN 21 10.720 12.957 -4.324 166 2HG GLN 21 2HG GLN 21 11.410 13.184 -5.924 167 1HE2 GLN 21 2HE2 GLN 21 8.187 13.189 -7.547 168 2HE2 GLN 21 1HE2 GLN 21 9.907 12.964 -7.832 169 HA PRO 22 HA PRO 22 10.784 6.137 -4.044 170 1HB PRO 22 1HB PRO 22 8.594 4.601 -4.012 171 2HB PRO 22 2HB PRO 22 8.918 5.811 -2.722 172 1HG PRO 22 1HG PRO 22 7.165 6.160 -5.167 173 2HG PRO 22 2HG PRO 22 6.742 6.432 -3.433 174 1HD PRO 22 1HD PRO 22 7.589 8.467 -5.062 175 2HD PRO 22 2HD PRO 22 7.985 8.389 -3.317 176 H ASN 23 H ASN 23 10.440 3.916 -5.374 177 HA ASN 23 HA ASN 23 9.588 4.325 -8.147 178 1HB ASN 23 1HB ASN 23 11.555 3.383 -9.123 179 2HB ASN 23 2HB ASN 23 12.080 4.733 -8.117 180 1HD2 ASN 23 2HD2 ASN 23 13.794 2.629 -5.793 181 2HD2 ASN 23 1HD2 ASN 23 13.452 4.266 -6.299 182 H GLU 24 H GLU 24 9.356 2.200 -9.203 183 HA GLU 24 HA GLU 24 7.535 0.567 -8.052 184 1HB GLU 24 1HB GLU 24 8.143 0.815 -10.454 185 2HB GLU 24 2HB GLU 24 9.601 -0.108 -10.164 186 1HG GLU 24 1HG GLU 24 8.306 -1.770 -11.020 187 2HG GLU 24 2HG GLU 24 7.857 -1.992 -9.340 188 H ASP 25 H ASP 25 11.122 -0.032 -7.829 189 HA ASP 25 HA ASP 25 10.774 -2.677 -6.641 190 1HB ASP 25 1HB ASP 25 12.915 -2.280 -7.652 191 2HB ASP 25 2HB ASP 25 13.157 -0.791 -6.721 192 H THR 26 H THR 26 11.663 0.584 -5.431 193 HA THR 26 HA THR 26 11.823 -0.196 -2.755 194 HB THR 26 HB THR 26 11.089 2.595 -3.754 195 HG1 THR 26 HG1 THR 26 13.432 1.000 -3.855 196 1HG2 THR 26 3HG2 THR 26 11.227 2.246 -1.234 197 2HG2 THR 26 1HG2 THR 26 12.880 1.663 -1.442 198 3HG2 THR 26 2HG2 THR 26 12.466 3.338 -1.866 199 H VAL 27 H VAL 27 8.959 0.763 -4.654 200 HA VAL 27 HA VAL 27 7.191 0.750 -2.350 201 HB VAL 27 HB VAL 27 6.343 0.116 -5.210 202 1HG1 VAL 27 2HG1 VAL 27 4.893 1.237 -2.758 203 2HG1 VAL 27 3HG1 VAL 27 4.174 1.059 -4.361 204 3HG1 VAL 27 1HG1 VAL 27 4.661 -0.377 -3.471 205 1HG2 VAL 27 3HG2 VAL 27 6.704 2.836 -3.894 206 2HG2 VAL 27 1HG2 VAL 27 7.399 2.262 -5.409 207 3HG2 VAL 27 2HG2 VAL 27 5.684 2.554 -5.334 208 H THR 28 H THR 28 8.239 -1.774 -4.721 209 HA THR 28 HA THR 28 6.517 -3.827 -3.827 210 HB THR 28 HB THR 28 9.207 -3.868 -5.254 211 HG1 THR 28 HG1 THR 28 7.748 -2.960 -6.517 212 1HG2 THR 28 2HG2 THR 28 7.238 -6.159 -4.884 213 2HG2 THR 28 3HG2 THR 28 8.608 -6.124 -6.018 214 3HG2 THR 28 1HG2 THR 28 8.909 -6.079 -4.279 215 H GLN 29 H GLN 29 9.901 -3.032 -2.773 216 HA GLN 29 HA GLN 29 9.853 -5.109 -0.753 217 1HB GLN 29 1HB GLN 29 11.813 -3.950 0.222 218 2HB GLN 29 2HB GLN 29 11.983 -4.512 -1.438 219 1HG GLN 29 1HG GLN 29 11.881 -2.316 -2.315 220 2HG GLN 29 2HG GLN 29 11.432 -1.614 -0.745 221 1HE2 GLN 29 2HE2 GLN 29 15.326 -2.010 -1.636 222 2HE2 GLN 29 1HE2 GLN 29 14.086 -2.181 -2.859 223 H ALA 30 H ALA 30 9.405 -1.501 -0.484 224 HA ALA 30 HA ALA 30 8.959 -1.465 2.279 225 1HB ALA 30 3HB ALA 30 9.344 0.562 0.935 226 2HB ALA 30 1HB ALA 30 7.740 0.376 0.184 227 3HB ALA 30 2HB ALA 30 7.880 0.705 1.923 228 H ALA 31 H ALA 31 6.628 -2.182 -0.302 229 HA ALA 31 HA ALA 31 4.343 -2.339 1.509 230 1HB ALA 31 1HB ALA 31 4.246 -1.733 -0.985 231 2HB ALA 31 2HB ALA 31 4.594 -3.417 -1.354 232 3HB ALA 31 3HB ALA 31 3.101 -2.999 -0.483 233 H SER 32 H SER 32 6.379 -4.842 -0.231 234 HA SER 32 HA SER 32 4.785 -7.011 0.810 235 1HB SER 32 1HB SER 32 6.684 -8.467 0.263 236 2HB SER 32 2HB SER 32 6.236 -7.404 -1.081 237 HG SER 32 HG SER 32 8.006 -6.169 -0.722 238 H GLN 33 H GLN 33 7.380 -5.073 2.161 239 HA GLN 33 HA GLN 33 7.381 -6.521 4.699 240 1HB GLN 33 1HB GLN 33 8.829 -4.060 3.657 241 2HB GLN 33 2HB GLN 33 8.819 -4.483 5.361 242 1HG GLN 33 1HG GLN 33 10.834 -5.335 4.398 243 2HG GLN 33 2HG GLN 33 9.820 -6.686 4.890 244 1HE2 GLN 33 2HE2 GLN 33 9.275 -7.695 1.460 245 2HE2 GLN 33 1HE2 GLN 33 8.706 -7.950 3.122 246 H VAL 34 H VAL 34 5.744 -3.537 3.385 247 HA VAL 34 HA VAL 34 5.093 -2.345 5.741 248 HB VAL 34 HB VAL 34 4.376 -1.519 3.441 249 1HG1 VAL 34 2HG1 VAL 34 2.621 -3.324 2.836 250 2HG1 VAL 34 3HG1 VAL 34 1.648 -2.581 4.099 251 3HG1 VAL 34 1HG1 VAL 34 2.156 -1.642 2.697 252 1HG2 VAL 34 1HG2 VAL 34 2.774 -1.177 5.920 253 2HG2 VAL 34 2HG2 VAL 34 4.151 -0.214 5.288 254 3HG2 VAL 34 3HG2 VAL 34 2.583 -0.191 4.469 255 H CYS 35 H CYS 35 3.451 -4.935 4.043 256 HA CYS 35 HA CYS 35 1.361 -5.460 5.899 257 1HB CYS 35 1HB CYS 35 2.826 -7.341 3.972 258 2HB CYS 35 2HB CYS 35 1.209 -7.588 4.643 259 H ASP 36 H ASP 36 4.575 -6.992 5.367 260 HA ASP 36 HA ASP 36 4.229 -9.092 7.210 261 1HB ASP 36 1HB ASP 36 6.001 -8.731 5.366 262 2HB ASP 36 2HB ASP 36 6.891 -7.803 6.586 263 H LYS 37 H LYS 37 5.450 -5.810 7.627 264 HA LYS 37 HA LYS 37 6.407 -6.015 10.298 265 1HB LYS 37 1HB LYS 37 7.082 -4.548 8.348 266 2HB LYS 37 2HB LYS 37 5.654 -3.554 8.642 267 1HG LYS 37 1HG LYS 37 6.682 -2.914 10.854 268 2HG LYS 37 2HG LYS 37 8.058 -3.972 10.465 269 1HD LYS 37 1HD LYS 37 8.143 -2.566 8.207 270 2HD LYS 37 2HD LYS 37 7.214 -1.376 9.130 271 1HE LYS 37 1HE LYS 37 9.048 -1.273 10.807 272 2HE LYS 37 2HE LYS 37 9.897 -2.560 9.932 273 1HZ LYS 37 3HZ LYS 37 9.356 0.106 8.787 274 2HZ LYS 37 1HZ LYS 37 10.792 -0.371 9.422 275 3HZ LYS 37 2HZ LYS 37 10.204 -1.097 8.078 276 H LEU 38 H LEU 38 3.320 -4.466 8.979 277 HA LEU 38 HA LEU 38 2.358 -3.968 11.646 278 1HB LEU 38 1HB LEU 38 1.014 -4.046 8.902 279 2HB LEU 38 2HB LEU 38 0.127 -3.812 10.404 280 HG LEU 38 HG LEU 38 2.102 -1.992 10.773 281 1HD1 LEU 38 3HD1 LEU 38 1.642 -1.998 7.795 282 2HD1 LEU 38 1HD1 LEU 38 2.273 -0.614 8.703 283 3HD1 LEU 38 2HD1 LEU 38 3.184 -2.114 8.691 284 1HD2 LEU 38 1HD2 LEU 38 -0.356 -1.567 11.000 285 2HD2 LEU 38 2HD2 LEU 38 0.444 -0.250 10.134 286 3HD2 LEU 38 3HD2 LEU 38 -0.486 -1.456 9.224 287 H LYS 39 H LYS 39 2.465 -5.801 12.878 288 HA LYS 39 HA LYS 39 1.449 -8.317 11.892 289 1HB LYS 39 1HB LYS 39 1.848 -9.242 14.075 290 2HB LYS 39 2HB LYS 39 3.235 -8.318 13.549 291 1HG LYS 39 1HG LYS 39 1.182 -7.191 15.511 292 2HG LYS 39 2HG LYS 39 2.516 -8.226 16.007 293 1HD LYS 39 1HD LYS 39 4.124 -6.550 14.943 294 2HD LYS 39 2HD LYS 39 2.735 -5.484 14.727 295 1HE LYS 39 1HE LYS 39 3.795 -4.776 16.724 296 2HE LYS 39 2HE LYS 39 2.302 -5.585 17.201 297 1HZ LYS 39 1HZ LYS 39 5.019 -6.770 17.312 298 2HZ LYS 39 2HZ LYS 39 4.160 -6.222 18.592 299 3HZ LYS 39 3HZ LYS 39 3.635 -7.538 17.770 300 H ILE 40 H ILE 40 -0.324 -9.547 13.088 301 HA ILE 40 HA ILE 40 -2.490 -9.880 13.572 302 HB ILE 40 HB ILE 40 -2.726 -6.931 14.328 303 1HG1 ILE 40 1HG1 ILE 40 -1.251 -8.070 15.879 304 2HG1 ILE 40 2HG1 ILE 40 -2.785 -7.683 16.637 305 1HG2 ILE 40 2HG2 ILE 40 -4.768 -9.153 14.589 306 2HG2 ILE 40 3HG2 ILE 40 -4.872 -7.558 15.365 307 3HG2 ILE 40 1HG2 ILE 40 -4.885 -7.681 13.613 308 1HD1 ILE 40 2HD1 ILE 40 -3.509 -10.065 16.376 309 2HD1 ILE 40 3HD1 ILE 40 -1.919 -10.446 15.668 310 3HD1 ILE 40 1HD1 ILE 40 -2.037 -9.886 17.342 311 H LEU 41 H LEU 41 -2.231 -6.642 12.064 312 HA LEU 41 HA LEU 41 -4.334 -7.315 10.178 313 1HB LEU 41 1HB LEU 41 -3.884 -5.161 11.478 314 2HB LEU 41 2HB LEU 41 -2.577 -4.823 10.371 315 HG LEU 41 HG LEU 41 -5.008 -3.789 10.214 316 1HD1 LEU 41 3HD1 LEU 41 -3.176 -3.132 8.786 317 2HD1 LEU 41 1HD1 LEU 41 -3.437 -4.538 7.749 318 3HD1 LEU 41 2HD1 LEU 41 -4.683 -3.274 7.863 319 1HD2 LEU 41 1HD2 LEU 41 -6.256 -5.871 9.981 320 2HD2 LEU 41 2HD2 LEU 41 -6.493 -4.807 8.597 321 3HD2 LEU 41 3HD2 LEU 41 -5.419 -6.213 8.449 322 H ARG 42 H ARG 42 -1.296 -8.281 10.214 323 HA ARG 42 HA ARG 42 -0.027 -7.744 7.815 324 1HB ARG 42 1HB ARG 42 1.108 -8.945 9.595 325 2HB ARG 42 2HB ARG 42 -0.077 -10.251 9.558 326 1HG ARG 42 1HG ARG 42 0.738 -10.896 7.289 327 2HG ARG 42 2HG ARG 42 1.980 -9.654 7.382 328 1HD ARG 42 1HD ARG 42 1.698 -11.928 9.409 329 2HD ARG 42 2HD ARG 42 2.614 -12.073 7.907 330 HE ARG 42 HE ARG 42 3.433 -9.790 9.533 331 1HH1 ARG 42 2HH2 ARG 42 4.140 -13.240 8.775 332 2HH1 ARG 42 1HH2 ARG 42 5.794 -13.046 9.240 333 1HH2 ARG 42 2HH1 ARG 42 5.503 -9.701 10.174 334 2HH2 ARG 42 1HH1 ARG 42 6.596 -10.824 9.593 335 H GLY 43 H GLY 43 -2.371 -10.394 8.514 336 1HA GLY 43 1HA GLY 43 -2.199 -11.763 6.091 337 2HA GLY 43 2HA GLY 43 -3.644 -11.708 7.112 338 H LEU 44 H LEU 44 -4.310 -8.948 6.887 339 HA LEU 44 HA LEU 44 -5.880 -9.113 4.521 340 1HB LEU 44 1HB LEU 44 -6.296 -7.925 6.822 341 2HB LEU 44 2HB LEU 44 -5.334 -6.609 6.181 342 HG LEU 44 HG LEU 44 -7.688 -6.144 6.036 343 1HD1 LEU 44 3HD1 LEU 44 -6.245 -5.278 4.196 344 2HD1 LEU 44 1HD1 LEU 44 -6.760 -6.667 3.203 345 3HD1 LEU 44 2HD1 LEU 44 -7.947 -5.473 3.754 346 1HD2 LEU 44 1HD2 LEU 44 -8.495 -8.499 5.918 347 2HD2 LEU 44 2HD2 LEU 44 -9.284 -7.423 4.764 348 3HD2 LEU 44 3HD2 LEU 44 -8.035 -8.553 4.202 349 H CYS 45 H CYS 45 -3.173 -6.882 5.458 350 HA CYS 45 HA CYS 45 -2.709 -5.716 3.025 351 1HB CYS 45 1HB CYS 45 -1.786 -5.159 5.262 352 2HB CYS 45 2HB CYS 45 -0.703 -6.531 5.147 353 H LYS 46 H LYS 46 -1.144 -8.818 4.168 354 HA LYS 46 HA LYS 46 0.474 -9.020 1.813 355 1HB LYS 46 1HB LYS 46 -0.586 -11.348 3.451 356 2HB LYS 46 2HB LYS 46 0.713 -11.442 2.275 357 1HG LYS 46 1HG LYS 46 0.858 -9.810 4.824 358 2HG LYS 46 2HG LYS 46 1.354 -11.472 4.735 359 1HD LYS 46 1HD LYS 46 2.696 -9.417 2.956 360 2HD LYS 46 2HD LYS 46 3.056 -9.514 4.682 361 1HE LYS 46 1HE LYS 46 3.482 -12.068 4.214 362 2HE LYS 46 2HE LYS 46 3.687 -11.524 2.543 363 1HZ LYS 46 1HZ LYS 46 5.368 -9.883 3.558 364 2HZ LYS 46 2HZ LYS 46 5.304 -10.798 4.933 365 3HZ LYS 46 3HZ LYS 46 5.807 -11.470 3.561 366 H LYS 47 H LYS 47 -2.928 -10.100 2.405 367 HA LYS 47 HA LYS 47 -3.204 -11.389 -0.159 368 1HB LYS 47 1HB LYS 47 -4.722 -11.515 1.945 369 2HB LYS 47 2HB LYS 47 -5.469 -10.045 1.337 370 1HG LYS 47 1HG LYS 47 -5.322 -12.772 0.032 371 2HG LYS 47 2HG LYS 47 -6.721 -12.012 0.723 372 1HD LYS 47 1HD LYS 47 -5.405 -11.313 -1.921 373 2HD LYS 47 2HD LYS 47 -6.878 -12.213 -1.658 374 1HE LYS 47 1HE LYS 47 -7.872 -10.153 -0.546 375 2HE LYS 47 2HE LYS 47 -6.472 -9.246 -1.145 376 1HZ LYS 47 1HZ LYS 47 -8.378 -10.752 -2.856 377 2HZ LYS 47 2HZ LYS 47 -8.391 -9.127 -2.649 378 3HZ LYS 47 3HZ LYS 47 -7.140 -9.835 -3.413 379 H ILE 48 H ILE 48 -3.847 -8.009 0.986 380 HA ILE 48 HA ILE 48 -4.980 -6.978 -1.393 381 HB ILE 48 HB ILE 48 -3.373 -5.726 0.846 382 1HG1 ILE 48 1HG1 ILE 48 -5.773 -6.590 1.155 383 2HG1 ILE 48 2HG1 ILE 48 -5.345 -4.993 1.761 384 1HG2 ILE 48 3HG2 ILE 48 -4.532 -4.194 -1.496 385 2HG2 ILE 48 1HG2 ILE 48 -4.041 -3.471 0.054 386 3HG2 ILE 48 2HG2 ILE 48 -2.843 -4.259 -0.967 387 1HD1 ILE 48 3HD1 ILE 48 -6.822 -5.495 -0.852 388 2HD1 ILE 48 1HD1 ILE 48 -7.581 -5.087 0.703 389 3HD1 ILE 48 2HD1 ILE 48 -6.511 -3.919 -0.076 390 H MET 49 H MET 49 -1.515 -7.042 -0.362 391 HA MET 49 HA MET 49 -0.643 -5.862 -2.832 392 1HB MET 49 1HB MET 49 0.964 -7.480 -0.814 393 2HB MET 49 2HB MET 49 1.626 -6.489 -2.124 394 1HG MET 49 1HG MET 49 0.013 -5.542 0.264 395 2HG MET 49 2HG MET 49 1.711 -5.216 -0.063 396 1HE MET 49 2HE MET 49 -0.842 -3.255 0.722 397 2HE MET 49 3HE MET 49 0.842 -2.674 0.702 398 3HE MET 49 1HE MET 49 -0.418 -1.797 -0.197 399 H ARG 50 H ARG 50 -0.788 -9.400 -1.860 400 HA ARG 50 HA ARG 50 0.382 -10.247 -4.300 401 1HB ARG 50 1HB ARG 50 -0.113 -11.732 -2.361 402 2HB ARG 50 2HB ARG 50 -1.823 -11.635 -2.695 403 1HG ARG 50 1HG ARG 50 -0.825 -13.758 -3.532 404 2HG ARG 50 2HG ARG 50 -1.622 -12.820 -4.783 405 1HD ARG 50 1HD ARG 50 0.703 -11.945 -5.464 406 2HD ARG 50 2HD ARG 50 1.376 -13.106 -4.325 407 HE ARG 50 HE ARG 50 0.891 -14.820 -5.769 408 1HH1 ARG 50 2HH2 ARG 50 -0.752 -11.878 -7.024 409 2HH1 ARG 50 1HH2 ARG 50 -0.913 -12.505 -8.613 410 1HH2 ARG 50 2HH1 ARG 50 0.616 -15.643 -7.912 411 2HH2 ARG 50 1HH1 ARG 50 -0.159 -14.700 -9.116 412 H SER 51 H SER 51 -2.830 -9.365 -3.524 413 HA SER 51 HA SER 51 -4.110 -10.126 -5.996 414 1HB SER 51 1HB SER 51 -5.083 -9.815 -3.660 415 2HB SER 51 2HB SER 51 -5.068 -8.072 -3.956 416 HG SER 51 HG SER 51 -6.456 -8.574 -5.778 417 H PHE 52 H PHE 52 -2.890 -6.890 -4.794 418 HA PHE 52 HA PHE 52 -3.187 -5.878 -7.587 419 1HB PHE 52 1HB PHE 52 -4.042 -4.281 -5.167 420 2HB PHE 52 2HB PHE 52 -4.462 -4.025 -6.848 421 HD1 PHE 52 HD2 PHE 52 -5.915 -6.123 -7.901 422 HD2 PHE 52 HD1 PHE 52 -5.745 -4.895 -3.767 423 HE1 PHE 52 HE2 PHE 52 -8.179 -7.054 -7.526 424 HE2 PHE 52 HE1 PHE 52 -8.024 -5.798 -3.408 425 HZ PHE 52 HZ PHE 52 -9.251 -6.874 -5.293 426 H LEU 53 H LEU 53 -0.598 -6.462 -6.046 427 HA LEU 53 HA LEU 53 0.386 -4.206 -4.861 428 1HB LEU 53 1HB LEU 53 1.639 -6.272 -4.786 429 2HB LEU 53 2HB LEU 53 1.990 -6.183 -6.515 430 HG LEU 53 HG LEU 53 3.404 -4.205 -6.141 431 1HD1 LEU 53 2HD1 LEU 53 2.670 -4.471 -3.179 432 2HD1 LEU 53 3HD1 LEU 53 3.949 -3.432 -3.843 433 3HD1 LEU 53 1HD1 LEU 53 2.272 -3.097 -4.237 434 1HD2 LEU 53 1HD2 LEU 53 4.354 -6.476 -5.877 435 2HD2 LEU 53 2HD2 LEU 53 5.154 -5.295 -4.843 436 3HD2 LEU 53 3HD2 LEU 53 3.987 -6.431 -4.132 437 H ARG 54 H ARG 54 1.007 -4.902 -8.393 438 HA ARG 54 HA ARG 54 2.238 -2.412 -8.774 439 1HB ARG 54 1HB ARG 54 2.220 -4.394 -10.365 440 2HB ARG 54 2HB ARG 54 0.686 -3.769 -11.004 441 1HG ARG 54 1HG ARG 54 1.779 -1.649 -11.635 442 2HG ARG 54 2HG ARG 54 3.235 -2.115 -10.751 443 1HD ARG 54 1HD ARG 54 3.373 -4.110 -12.415 444 2HD ARG 54 2HD ARG 54 2.236 -3.161 -13.404 445 HE ARG 54 HE ARG 54 4.632 -1.773 -12.348 446 1HH1 ARG 54 2HH2 ARG 54 3.382 -3.405 -15.250 447 2HH1 ARG 54 1HH2 ARG 54 4.633 -2.762 -16.262 448 1HH2 ARG 54 2HH1 ARG 54 6.137 -1.036 -13.525 449 2HH2 ARG 54 1HH1 ARG 54 6.336 -1.293 -15.246 450 H ARG 55 H ARG 55 -1.304 -2.889 -8.288 451 HA ARG 55 HA ARG 55 -1.895 -0.428 -9.607 452 1HB ARG 55 1HB ARG 55 -3.405 -2.248 -7.740 453 2HB ARG 55 2HB ARG 55 -3.951 -0.643 -7.912 454 1HG ARG 55 1HG ARG 55 -3.639 -2.482 -10.287 455 2HG ARG 55 2HG ARG 55 -5.059 -2.557 -9.269 456 1HD ARG 55 1HD ARG 55 -4.415 0.110 -10.524 457 2HD ARG 55 2HD ARG 55 -4.974 -1.175 -11.565 458 HE ARG 55 HE ARG 55 -6.919 -1.360 -9.848 459 1HH1 ARG 55 2HH2 ARG 55 -5.642 1.818 -11.057 460 2HH1 ARG 55 1HH2 ARG 55 -7.162 2.563 -10.681 461 1HH2 ARG 55 2HH1 ARG 55 -8.988 -0.131 -9.687 462 2HH2 ARG 55 1HH1 ARG 55 -8.847 1.572 -9.880 463 H ILE 56 H ILE 56 -1.284 -1.546 -6.195 464 HA ILE 56 HA ILE 56 -1.535 1.065 -5.019 465 HB ILE 56 HB ILE 56 -0.273 -1.546 -4.200 466 1HG1 ILE 56 1HG1 ILE 56 -1.932 -1.478 -2.451 467 2HG1 ILE 56 2HG1 ILE 56 -2.343 0.201 -2.815 468 1HG2 ILE 56 2HG2 ILE 56 -0.010 1.050 -2.625 469 2HG2 ILE 56 3HG2 ILE 56 0.288 -0.582 -1.982 470 3HG2 ILE 56 1HG2 ILE 56 1.312 0.052 -3.263 471 1HD1 ILE 56 2HD1 ILE 56 -2.863 -2.083 -4.741 472 2HD1 ILE 56 3HD1 ILE 56 -4.032 -1.480 -3.563 473 3HD1 ILE 56 1HD1 ILE 56 -3.462 -0.416 -4.861 474 H SER 57 H SER 57 1.207 -0.544 -6.692 475 HA SER 57 HA SER 57 3.062 1.499 -6.029 476 1HB SER 57 1HB SER 57 3.511 -0.864 -6.961 477 2HB SER 57 2HB SER 57 3.033 -0.242 -8.551 478 HG SER 57 HG SER 57 5.140 -0.082 -8.492 479 H TRP 58 H TRP 58 0.969 1.169 -9.023 480 HA TRP 58 HA TRP 58 1.746 3.565 -10.239 481 1HB TRP 58 1HB TRP 58 0.190 2.864 -11.666 482 2HB TRP 58 2HB TRP 58 -0.511 1.782 -10.483 483 HD1 TRP 58 HD1 TRP 58 -0.819 5.532 -11.495 484 HE1 TRP 58 HE1 TRP 58 -3.136 6.375 -10.931 485 HE3 TRP 58 HE3 TRP 58 -2.787 1.276 -9.516 486 HZ2 TRP 58 HZ2 TRP 58 -5.457 5.380 -9.448 487 HZ3 TRP 58 HZ3 TRP 58 -4.901 1.276 -8.314 488 HH2 TRP 58 HH2 TRP 58 -6.208 3.262 -8.112 489 H ASP 59 H ASP 59 -0.680 3.165 -7.644 490 HA ASP 59 HA ASP 59 -1.350 5.912 -7.336 491 1HB ASP 59 1HB ASP 59 -1.256 3.743 -5.212 492 2HB ASP 59 2HB ASP 59 -1.824 5.389 -4.947 493 HD2 ASP 59 HD2 ASP 59 -3.805 2.843 -7.243 494 H ILE 60 H ILE 60 1.249 4.058 -5.679 495 HA ILE 60 HA ILE 60 2.137 6.245 -4.085 496 HB ILE 60 HB ILE 60 3.400 3.635 -4.991 497 1HG1 ILE 60 1HG1 ILE 60 1.395 3.496 -3.455 498 2HG1 ILE 60 2HG1 ILE 60 2.870 2.760 -2.840 499 1HG2 ILE 60 3HG2 ILE 60 4.512 5.695 -3.070 500 2HG2 ILE 60 1HG2 ILE 60 4.987 3.981 -3.050 501 3HG2 ILE 60 2HG2 ILE 60 5.269 4.953 -4.499 502 1HD1 ILE 60 2HD1 ILE 60 3.180 4.709 -1.368 503 2HD1 ILE 60 3HD1 ILE 60 1.679 5.425 -2.044 504 3HD1 ILE 60 1HD1 ILE 60 1.624 3.892 -1.148 505 H LEU 61 H LEU 61 3.306 5.000 -7.240 506 HA LEU 61 HA LEU 61 5.387 6.876 -7.654 507 1HB LEU 61 1HB LEU 61 3.591 5.427 -9.638 508 2HB LEU 61 2HB LEU 61 5.057 6.289 -10.085 509 HG LEU 61 HG LEU 61 5.095 3.966 -8.106 510 1HD1 LEU 61 1HD1 LEU 61 4.148 3.169 -10.235 511 2HD1 LEU 61 2HD1 LEU 61 5.530 3.859 -11.120 512 3HD1 LEU 61 3HD1 LEU 61 5.764 2.520 -9.970 513 1HD2 LEU 61 2HD2 LEU 61 7.296 5.189 -9.818 514 2HD2 LEU 61 3HD2 LEU 61 7.110 5.381 -8.061 515 3HD2 LEU 61 1HD2 LEU 61 7.438 3.783 -8.741 516 H THR 62 H THR 62 1.888 7.115 -8.367 517 HA THR 62 HA THR 62 2.225 9.877 -9.395 518 HB THR 62 HB THR 62 -0.255 9.753 -9.731 519 HG1 THR 62 HG1 THR 62 0.100 7.010 -9.082 520 1HG2 THR 62 1HG2 THR 62 1.322 9.210 -11.548 521 2HG2 THR 62 2HG2 THR 62 1.328 7.505 -11.052 522 3HG2 THR 62 3HG2 THR 62 -0.166 8.257 -11.658 523 H GLY 63 H GLY 63 2.585 8.796 -6.489 524 1HA GLY 63 1HA GLY 63 2.017 9.150 -4.352 525 2HA GLY 63 2HA GLY 63 2.284 10.831 -4.833 526 H LYS 64 H LYS 64 -0.460 8.569 -5.571 527 HA LYS 64 HA LYS 64 -2.284 10.780 -4.827 528 1HB LYS 64 1HB LYS 64 -2.697 9.450 -6.839 529 2HB LYS 64 2HB LYS 64 -2.740 7.945 -5.918 530 1HG LYS 64 1HG LYS 64 -4.872 8.362 -5.054 531 2HG LYS 64 2HG LYS 64 -4.688 10.114 -5.174 532 1HD LYS 64 1HD LYS 64 -6.328 9.460 -6.791 533 2HD LYS 64 2HD LYS 64 -4.891 10.027 -7.613 534 1HE LYS 64 1HE LYS 64 -5.677 8.184 -8.850 535 2HE LYS 64 2HE LYS 64 -4.224 7.614 -8.027 536 1HZ LYS 64 3HZ LYS 64 -6.756 7.133 -6.665 537 2HZ LYS 64 1HZ LYS 64 -6.558 6.337 -8.060 538 3HZ LYS 64 2HZ LYS 64 -5.429 6.137 -6.879 539 H LYS 65 H LYS 65 -3.567 10.711 -2.990 540 HA LYS 65 HA LYS 65 -2.313 9.233 -0.888 541 1HB LYS 65 1HB LYS 65 -4.492 11.302 -0.899 542 2HB LYS 65 2HB LYS 65 -4.225 10.357 0.555 543 1HG LYS 65 1HG LYS 65 -2.912 12.327 0.774 544 2HG LYS 65 2HG LYS 65 -1.843 10.968 0.570 545 1HD LYS 65 1HD LYS 65 -1.949 11.970 -2.041 546 2HD LYS 65 2HD LYS 65 -2.200 13.406 -1.075 547 1HE LYS 65 1HE LYS 65 0.133 13.263 -1.398 548 2HE LYS 65 2HE LYS 65 -0.124 12.733 0.273 549 1HZ LYS 65 1HZ LYS 65 0.297 10.966 -2.065 550 2HZ LYS 65 2HZ LYS 65 1.418 11.306 -0.919 551 3HZ LYS 65 3HZ LYS 65 0.124 10.430 -0.492 552 HA PRO 66 HA PRO 66 -4.189 5.520 -0.270 553 1HB PRO 66 1HB PRO 66 -4.744 5.454 2.486 554 2HB PRO 66 2HB PRO 66 -3.181 5.155 1.691 555 1HG PRO 66 1HG PRO 66 -4.196 7.759 2.809 556 2HG PRO 66 2HG PRO 66 -2.576 6.961 3.003 557 1HD PRO 66 1HD PRO 66 -2.755 8.859 1.261 558 2HD PRO 66 2HD PRO 66 -2.017 7.314 0.735 559 H GLN 67 H GLN 67 -6.272 7.892 1.536 560 HA GLN 67 HA GLN 67 -8.484 6.090 1.486 561 1HB GLN 67 1HB GLN 67 -8.146 8.144 2.946 562 2HB GLN 67 2HB GLN 67 -8.722 9.123 1.590 563 1HG GLN 67 1HG GLN 67 -10.889 8.054 1.645 564 2HG GLN 67 2HG GLN 67 -10.305 6.755 2.693 565 1HE2 GLN 67 2HE2 GLN 67 -11.997 9.827 4.521 566 2HE2 GLN 67 1HE2 GLN 67 -12.275 9.395 2.851 567 H ALA 68 H ALA 68 -7.126 8.153 -0.996 568 HA ALA 68 HA ALA 68 -9.517 7.930 -2.727 569 1HB ALA 68 1HB ALA 68 -8.095 9.965 -2.850 570 2HB ALA 68 2HB ALA 68 -6.731 8.966 -3.409 571 3HB ALA 68 3HB ALA 68 -8.197 9.100 -4.393 572 H ILE 69 H ILE 69 -6.390 6.277 -2.215 573 HA ILE 69 HA ILE 69 -6.414 4.660 -4.565 574 HB ILE 69 HB ILE 69 -5.371 4.000 -1.743 575 1HG1 ILE 69 1HG1 ILE 69 -3.982 5.228 -4.118 576 2HG1 ILE 69 2HG1 ILE 69 -4.295 5.934 -2.578 577 1HG2 ILE 69 1HG2 ILE 69 -4.934 2.534 -4.359 578 2HG2 ILE 69 2HG2 ILE 69 -3.984 2.246 -2.883 579 3HG2 ILE 69 3HG2 ILE 69 -5.698 1.926 -2.880 580 1HD1 ILE 69 3HD1 ILE 69 -2.930 4.151 -1.489 581 2HD1 ILE 69 1HD1 ILE 69 -2.320 3.714 -3.093 582 3HD1 ILE 69 2HD1 ILE 69 -2.028 5.341 -2.456 583 H CYS 70 H CYS 70 -7.716 3.987 -1.305 584 HA CYS 70 HA CYS 70 -8.761 1.435 -1.894 585 1HB CYS 70 1HB CYS 70 -9.819 3.482 0.098 586 2HB CYS 70 2HB CYS 70 -10.017 1.726 0.181 587 H VAL 71 H VAL 71 -10.359 4.661 -2.393 588 HA VAL 71 HA VAL 71 -12.829 3.395 -3.173 589 HB VAL 71 HB VAL 71 -11.784 6.188 -3.732 590 1HG1 VAL 71 3HG1 VAL 71 -13.598 5.554 -5.328 591 2HG1 VAL 71 1HG1 VAL 71 -14.631 5.096 -3.962 592 3HG1 VAL 71 2HG1 VAL 71 -14.142 6.786 -4.185 593 1HG2 VAL 71 2HG2 VAL 71 -12.152 5.646 -1.272 594 2HG2 VAL 71 3HG2 VAL 71 -13.201 6.919 -1.900 595 3HG2 VAL 71 1HG2 VAL 71 -13.848 5.291 -1.673 596 H ASP 72 H ASP 72 -9.960 4.632 -5.015 597 HA ASP 72 HA ASP 72 -10.946 4.263 -7.603 598 1HB ASP 72 1HB ASP 72 -8.889 5.468 -6.835 599 2HB ASP 72 2HB ASP 72 -8.088 3.925 -6.603 600 H ILE 73 H ILE 73 -9.109 1.960 -5.575 601 HA ILE 73 HA ILE 73 -9.329 -0.078 -7.689 602 HB ILE 73 HB ILE 73 -7.801 -1.380 -6.456 603 1HG1 ILE 73 1HG1 ILE 73 -8.334 0.558 -4.152 604 2HG1 ILE 73 2HG1 ILE 73 -8.614 -1.168 -4.214 605 1HG2 ILE 73 1HG2 ILE 73 -7.066 0.705 -7.727 606 2HG2 ILE 73 2HG2 ILE 73 -6.813 1.465 -6.160 607 3HG2 ILE 73 3HG2 ILE 73 -5.906 -0.002 -6.601 608 1HD1 ILE 73 1HD1 ILE 73 -6.209 -1.578 -4.424 609 2HD1 ILE 73 2HD1 ILE 73 -5.900 0.172 -4.318 610 3HD1 ILE 73 3HD1 ILE 73 -6.602 -0.661 -2.931 611 H LYS 74 H LYS 74 -11.381 0.915 -5.356 612 HA LYS 74 HA LYS 74 -13.343 0.458 -4.774 613 1HB LYS 74 1HB LYS 74 -13.520 -0.324 -7.140 614 2HB LYS 74 2HB LYS 74 -13.318 -1.996 -6.552 615 1HG LYS 74 1HG LYS 74 -15.223 -1.572 -4.974 616 2HG LYS 74 2HG LYS 74 -15.400 -0.003 -5.704 617 1HD LYS 74 1HD LYS 74 -15.654 -1.255 -7.970 618 2HD LYS 74 2HD LYS 74 -16.110 -2.584 -6.902 619 1HE LYS 74 1HE LYS 74 -17.413 0.156 -6.938 620 2HE LYS 74 2HE LYS 74 -18.060 -1.247 -7.786 621 1HZ LYS 74 3HZ LYS 74 -17.649 -1.168 -4.865 622 2HZ LYS 74 1HZ LYS 74 -19.018 -0.716 -5.515 623 3HZ LYS 74 2HZ LYS 74 -18.539 -2.286 -5.712 624 H ILE 75 H ILE 75 -12.444 0.257 -2.770 625 HA ILE 75 HA ILE 75 -12.806 -2.346 -1.374 626 HB ILE 75 HB ILE 75 -10.397 -0.496 -1.360 627 1HG1 ILE 75 1HG1 ILE 75 -10.754 -3.436 -2.144 628 2HG1 ILE 75 2HG1 ILE 75 -10.350 -2.097 -3.209 629 1HG2 ILE 75 2HG2 ILE 75 -10.755 -1.208 0.973 630 2HG2 ILE 75 3HG2 ILE 75 -10.755 -2.919 0.428 631 3HG2 ILE 75 1HG2 ILE 75 -9.305 -1.903 0.321 632 1HD1 ILE 75 3HD1 ILE 75 -8.206 -1.822 -1.823 633 2HD1 ILE 75 1HD1 ILE 75 -8.586 -3.432 -1.172 634 3HD1 ILE 75 2HD1 ILE 75 -8.323 -3.227 -2.913 635 H CYS 76 H CYS 76 -13.256 1.111 -1.427 636 HA CYS 76 HA CYS 76 -13.263 1.316 1.505 637 1HB CYS 76 1HB CYS 76 -12.245 3.117 0.138 638 2HB CYS 76 2HB CYS 76 -13.820 3.462 -0.528 639 H LYS 77 H LYS 77 -15.653 2.807 -0.711 640 HA LYS 77 HA LYS 77 -17.768 1.188 0.130 641 1HB LYS 77 1HB LYS 77 -17.772 2.715 2.177 642 2HB LYS 77 2HB LYS 77 -18.154 4.059 1.099 643 1HG LYS 77 1HG LYS 77 -19.976 1.881 0.457 644 2HG LYS 77 2HG LYS 77 -19.873 1.970 2.195 645 1HD LYS 77 1HD LYS 77 -21.751 3.243 1.583 646 2HD LYS 77 2HD LYS 77 -20.521 4.389 2.086 647 1HE LYS 77 1HE LYS 77 -21.761 5.240 0.177 648 2HE LYS 77 2HE LYS 77 -20.074 4.990 -0.259 649 1HZ LYS 77 2HZ LYS 77 -22.240 3.088 -1.003 650 2HZ LYS 77 3HZ LYS 77 -21.594 4.236 -1.983 651 3HZ LYS 77 1HZ LYS 77 -20.689 3.025 -1.506 652 H GLU 78 H GLU 78 -17.080 1.178 -2.134 653 HA GLU 78 HA GLU 78 -18.455 3.176 -3.789 654 1HB GLU 78 1HB GLU 78 -17.068 0.545 -4.389 655 2HB GLU 78 2HB GLU 78 -17.641 1.704 -5.609 656 1HG GLU 78 1HG GLU 78 -15.260 1.974 -5.376 657 2HG GLU 78 2HG GLU 78 -16.054 3.373 -4.706 No H/Q in entry = 657 Start of MODEL 17 1 1H GLY 1 3H GLY 1 -16.681 -5.232 4.584 2 2H GLY 1 1H GLY 1 -17.554 -5.347 5.966 3 3H GLY 1 2H GLY 1 -18.217 -4.617 4.637 4 1HA GLY 1 1HA GLY 1 -16.635 -2.848 4.730 5 2HA GLY 1 2HA GLY 1 -17.501 -2.988 6.285 6 H TYR 2 H TYR 2 -15.686 -2.045 7.475 7 HA TYR 2 HA TYR 2 -13.790 -1.893 8.597 8 1HB TYR 2 1HB TYR 2 -14.358 -4.081 9.518 9 2HB TYR 2 2HB TYR 2 -13.534 -4.887 8.186 10 HD1 TYR 2 HD2 TYR 2 -12.666 -2.063 10.576 11 HD2 TYR 2 HD1 TYR 2 -11.499 -5.859 8.855 12 HE1 TYR 2 HE2 TYR 2 -10.461 -1.870 11.632 13 HE2 TYR 2 HE1 TYR 2 -9.286 -5.663 9.957 14 HH TYR 2 HH TYR 2 -8.260 -2.580 11.080 15 H PHE 3 H PHE 3 -13.233 -3.762 5.641 16 HA PHE 3 HA PHE 3 -10.664 -3.441 5.061 17 1HB PHE 3 1HB PHE 3 -13.089 -3.021 3.285 18 2HB PHE 3 2HB PHE 3 -11.450 -2.937 2.675 19 HD1 PHE 3 HD1 PHE 3 -11.936 -5.573 5.213 20 HD2 PHE 3 HD2 PHE 3 -12.214 -4.533 1.022 21 HE1 PHE 3 HE1 PHE 3 -11.871 -7.959 4.604 22 HE2 PHE 3 HE2 PHE 3 -12.121 -6.929 0.423 23 HZ PHE 3 HZ PHE 3 -11.939 -8.647 2.220 24 H CYS 4 H CYS 4 -12.934 -0.618 4.755 25 HA CYS 4 HA CYS 4 -11.091 1.013 3.402 26 1HB CYS 4 1HB CYS 4 -13.582 1.500 3.828 27 2HB CYS 4 2HB CYS 4 -13.103 2.086 5.416 28 H GLU 5 H GLU 5 -11.533 0.587 6.947 29 HA GLU 5 HA GLU 5 -9.673 2.603 7.828 30 1HB GLU 5 1HB GLU 5 -11.289 1.581 9.358 31 2HB GLU 5 2HB GLU 5 -10.694 -0.036 9.037 32 1HG GLU 5 1HG GLU 5 -9.100 2.143 10.430 33 2HG GLU 5 2HG GLU 5 -10.038 0.904 11.252 34 H SER 6 H SER 6 -9.465 -0.939 7.423 35 HA SER 6 HA SER 6 -6.777 -1.182 7.992 36 1HB SER 6 1HB SER 6 -8.267 -2.893 5.970 37 2HB SER 6 2HB SER 6 -6.936 -3.374 7.039 38 HG SER 6 HG SER 6 -8.621 -2.505 8.729 39 H CYS 7 H CYS 7 -8.217 -0.790 4.734 40 HA CYS 7 HA CYS 7 -5.806 -0.896 3.239 41 1HB CYS 7 1HB CYS 7 -8.013 -1.197 2.304 42 2HB CYS 7 2HB CYS 7 -8.470 0.461 2.685 43 H ARG 8 H ARG 8 -7.620 1.919 4.639 44 HA ARG 8 HA ARG 8 -5.807 3.853 3.623 45 1HB ARG 8 1HB ARG 8 -8.108 4.306 4.634 46 2HB ARG 8 2HB ARG 8 -7.380 4.043 6.225 47 1HG ARG 8 1HG ARG 8 -5.609 5.859 5.123 48 2HG ARG 8 2HG ARG 8 -7.093 6.328 4.298 49 1HD ARG 8 1HD ARG 8 -8.200 6.711 6.456 50 2HD ARG 8 2HD ARG 8 -6.835 6.001 7.314 51 HE ARG 8 HE ARG 8 -5.428 7.816 6.838 52 1HH1 ARG 8 2HH2 ARG 8 -8.663 8.538 5.486 53 2HH1 ARG 8 1HH2 ARG 8 -8.457 10.239 5.663 54 1HH2 ARG 8 2HH1 ARG 8 -5.051 9.917 6.755 55 2HH2 ARG 8 1HH1 ARG 8 -6.273 11.095 6.378 56 H LYS 9 H LYS 9 -5.818 2.094 6.807 57 HA LYS 9 HA LYS 9 -3.472 3.318 7.830 58 1HB LYS 9 1HB LYS 9 -5.098 2.023 9.162 59 2HB LYS 9 2HB LYS 9 -4.653 0.540 8.316 60 1HG LYS 9 1HG LYS 9 -2.376 0.667 9.183 61 2HG LYS 9 2HG LYS 9 -2.718 2.197 9.997 62 1HD LYS 9 1HD LYS 9 -4.413 -0.238 10.651 63 2HD LYS 9 2HD LYS 9 -2.757 -0.172 11.236 64 1HE LYS 9 1HE LYS 9 -4.168 0.629 12.977 65 2HE LYS 9 2HE LYS 9 -3.193 1.982 12.383 66 1HZ LYS 9 3HZ LYS 9 -5.986 1.431 11.577 67 2HZ LYS 9 1HZ LYS 9 -5.583 2.502 12.753 68 3HZ LYS 9 2HZ LYS 9 -5.141 2.750 11.177 69 H ILE 10 H ILE 10 -3.876 0.419 5.800 70 HA ILE 10 HA ILE 10 -1.206 -0.467 5.756 71 HB ILE 10 HB ILE 10 -3.536 -0.795 3.853 72 1HG1 ILE 10 1HG1 ILE 10 -2.065 -2.875 5.517 73 2HG1 ILE 10 2HG1 ILE 10 -3.301 -1.876 6.236 74 1HG2 ILE 10 1HG2 ILE 10 -0.757 -1.987 3.601 75 2HG2 ILE 10 2HG2 ILE 10 -2.180 -2.666 2.783 76 3HG2 ILE 10 3HG2 ILE 10 -1.635 -1.044 2.381 77 1HD1 ILE 10 2HD1 ILE 10 -3.779 -3.663 3.820 78 2HD1 ILE 10 3HD1 ILE 10 -4.251 -4.028 5.474 79 3HD1 ILE 10 1HD1 ILE 10 -4.985 -2.666 4.620 80 H ILE 11 H ILE 11 -2.906 1.702 3.352 81 HA ILE 11 HA ILE 11 -0.430 2.275 2.011 82 HB ILE 11 HB ILE 11 -3.027 3.846 2.082 83 1HG1 ILE 11 1HG1 ILE 11 -3.415 1.872 0.785 84 2HG1 ILE 11 2HG1 ILE 11 -3.156 3.183 -0.349 85 1HG2 ILE 11 2HG2 ILE 11 -0.506 4.367 0.433 86 2HG2 ILE 11 3HG2 ILE 11 -2.076 5.139 0.162 87 3HG2 ILE 11 1HG2 ILE 11 -1.203 5.445 1.640 88 1HD1 ILE 11 1HD1 ILE 11 -0.810 2.370 -0.708 89 2HD1 ILE 11 2HD1 ILE 11 -1.186 0.976 0.341 90 3HD1 ILE 11 3HD1 ILE 11 -2.088 1.236 -1.161 91 H GLN 12 H GLN 12 -2.100 4.012 4.739 92 HA GLN 12 HA GLN 12 -0.406 6.222 4.677 93 1HB GLN 12 1HB GLN 12 -1.836 4.924 7.010 94 2HB GLN 12 2HB GLN 12 -0.974 6.453 7.160 95 1HG GLN 12 1HG GLN 12 -2.919 6.310 4.880 96 2HG GLN 12 2HG GLN 12 -3.608 6.218 6.495 97 1HE2 GLN 12 2HE2 GLN 12 -1.533 9.713 5.649 98 2HE2 GLN 12 1HE2 GLN 12 -1.048 8.303 4.779 99 H LYS 13 H LYS 13 0.278 3.131 6.561 100 HA LYS 13 HA LYS 13 2.787 4.368 7.333 101 1HB LYS 13 1HB LYS 13 1.683 2.627 8.733 102 2HB LYS 13 2HB LYS 13 2.146 1.412 7.538 103 1HG LYS 13 1HG LYS 13 3.652 1.603 9.573 104 2HG LYS 13 2HG LYS 13 4.490 1.706 8.026 105 1HD LYS 13 1HD LYS 13 4.771 4.076 8.217 106 2HD LYS 13 2HD LYS 13 3.679 4.187 9.603 107 1HE LYS 13 1HE LYS 13 5.302 3.081 11.024 108 2HE LYS 13 2HE LYS 13 6.338 2.701 9.626 109 1HZ LYS 13 3HZ LYS 13 5.700 5.516 10.272 110 2HZ LYS 13 1HZ LYS 13 7.043 4.758 10.923 111 3HZ LYS 13 2HZ LYS 13 6.783 5.001 9.313 112 H LEU 14 H LEU 14 1.748 2.581 4.492 113 HA LEU 14 HA LEU 14 4.401 1.821 3.651 114 1HB LEU 14 1HB LEU 14 2.193 0.843 2.821 115 2HB LEU 14 2HB LEU 14 1.906 2.315 1.964 116 HG LEU 14 HG LEU 14 2.936 0.144 0.860 117 1HD1 LEU 14 1HD1 LEU 14 2.301 2.233 -0.272 118 2HD1 LEU 14 2HD1 LEU 14 3.917 2.898 0.085 119 3HD1 LEU 14 3HD1 LEU 14 3.728 1.464 -0.953 120 1HD2 LEU 14 3HD2 LEU 14 5.040 0.067 2.206 121 2HD2 LEU 14 1HD2 LEU 14 5.316 0.246 0.457 122 3HD2 LEU 14 2HD2 LEU 14 5.518 1.619 1.516 123 H GLU 15 H GLU 15 2.261 4.552 2.976 124 HA GLU 15 HA GLU 15 3.803 6.077 1.202 125 1HB GLU 15 1HB GLU 15 1.370 6.243 1.610 126 2HB GLU 15 2HB GLU 15 1.636 6.597 3.305 127 1HG GLU 15 1HG GLU 15 2.460 8.840 2.741 128 2HG GLU 15 2HG GLU 15 2.214 8.491 1.022 129 H ASP 16 H ASP 16 3.440 6.363 4.742 130 HA ASP 16 HA ASP 16 5.480 8.212 5.299 131 1HB ASP 16 1HB ASP 16 3.932 7.556 6.993 132 2HB ASP 16 2HB ASP 16 4.194 5.852 6.692 133 H MET 17 H MET 17 5.865 4.624 5.085 134 HA MET 17 HA MET 17 8.659 4.802 5.733 135 1HB MET 17 1HB MET 17 7.005 2.608 4.427 136 2HB MET 17 2HB MET 17 8.739 2.444 4.740 137 1HG MET 17 1HG MET 17 8.319 2.852 7.162 138 2HG MET 17 2HG MET 17 6.600 2.829 6.844 139 1HE MET 17 1HE MET 17 6.236 0.480 4.727 140 2HE MET 17 2HE MET 17 7.956 0.196 4.408 141 3HE MET 17 3HE MET 17 6.972 -1.086 5.134 142 H VAL 18 H VAL 18 6.947 4.457 2.545 143 HA VAL 18 HA VAL 18 9.438 4.038 1.151 144 HB VAL 18 HB VAL 18 7.067 3.258 0.546 145 1HG1 VAL 18 1HG1 VAL 18 6.032 5.551 0.591 146 2HG1 VAL 18 2HG1 VAL 18 6.868 5.882 -0.934 147 3HG1 VAL 18 3HG1 VAL 18 5.683 4.552 -0.822 148 1HG2 VAL 18 3HG2 VAL 18 9.096 4.256 -1.419 149 2HG2 VAL 18 1HG2 VAL 18 8.804 2.624 -0.808 150 3HG2 VAL 18 2HG2 VAL 18 7.637 3.354 -1.916 151 H GLY 19 H GLY 19 7.482 6.836 2.084 152 1HA GLY 19 1HA GLY 19 8.134 8.952 2.362 153 2HA GLY 19 2HA GLY 19 9.763 8.536 1.801 154 HA PRO 20 HA PRO 20 7.448 11.042 -1.361 155 1HB PRO 20 1HB PRO 20 8.864 13.386 -1.405 156 2HB PRO 20 2HB PRO 20 7.753 12.988 -0.060 157 1HG PRO 20 1HG PRO 20 10.759 12.525 -0.179 158 2HG PRO 20 2HG PRO 20 9.829 13.371 1.101 159 1HD PRO 20 1HD PRO 20 10.506 10.726 1.299 160 2HD PRO 20 2HD PRO 20 8.950 11.345 1.931 161 H GLN 21 H GLN 21 10.174 9.404 -1.566 162 HA GLN 21 HA GLN 21 10.639 10.093 -4.423 163 1HB GLN 21 1HB GLN 21 12.863 10.008 -2.352 164 2HB GLN 21 2HB GLN 21 13.133 9.954 -4.093 165 1HG GLN 21 1HG GLN 21 11.763 12.287 -2.687 166 2HG GLN 21 2HG GLN 21 13.478 12.194 -3.049 167 1HE2 GLN 21 2HE2 GLN 21 10.901 12.975 -6.126 168 2HE2 GLN 21 1HE2 GLN 21 10.229 12.405 -4.590 169 HA PRO 22 HA PRO 22 10.692 5.534 -3.663 170 1HB PRO 22 1HB PRO 22 8.273 4.737 -4.399 171 2HB PRO 22 2HB PRO 22 8.426 5.705 -2.895 172 1HG PRO 22 1HG PRO 22 7.724 6.717 -5.657 173 2HG PRO 22 2HG PRO 22 6.821 6.953 -4.118 174 1HD PRO 22 1HD PRO 22 8.662 8.791 -5.031 175 2HD PRO 22 2HD PRO 22 8.338 8.482 -3.295 176 H ASN 23 H ASN 23 10.152 3.776 -5.445 177 HA ASN 23 HA ASN 23 9.856 4.586 -8.166 178 1HB ASN 23 1HB ASN 23 11.861 3.554 -9.051 179 2HB ASN 23 2HB ASN 23 12.301 4.879 -7.976 180 1HD2 ASN 23 2HD2 ASN 23 14.049 2.766 -5.762 181 2HD2 ASN 23 1HD2 ASN 23 13.839 4.386 -6.385 182 H GLU 24 H GLU 24 9.648 2.485 -9.460 183 HA GLU 24 HA GLU 24 7.639 0.894 -8.512 184 1HB GLU 24 1HB GLU 24 8.202 1.158 -10.841 185 2HB GLU 24 2HB GLU 24 9.775 0.429 -10.597 186 1HG GLU 24 1HG GLU 24 8.453 -1.156 -11.754 187 2HG GLU 24 2HG GLU 24 8.636 -1.780 -10.125 188 H ASP 25 H ASP 25 11.152 0.149 -8.067 189 HA ASP 25 HA ASP 25 10.586 -2.472 -6.901 190 1HB ASP 25 1HB ASP 25 12.791 -2.246 -7.790 191 2HB ASP 25 2HB ASP 25 13.084 -0.745 -6.899 192 H THR 26 H THR 26 11.641 0.725 -5.638 193 HA THR 26 HA THR 26 11.615 -0.041 -2.977 194 HB THR 26 HB THR 26 11.005 2.779 -3.983 195 HG1 THR 26 HG1 THR 26 13.232 1.075 -4.079 196 1HG2 THR 26 3HG2 THR 26 12.557 1.777 -1.535 197 2HG2 THR 26 1HG2 THR 26 12.326 3.471 -2.020 198 3HG2 THR 26 2HG2 THR 26 10.943 2.505 -1.491 199 H VAL 27 H VAL 27 8.781 1.038 -4.863 200 HA VAL 27 HA VAL 27 7.107 1.084 -2.465 201 HB VAL 27 HB VAL 27 6.087 0.649 -5.299 202 1HG1 VAL 27 1HG1 VAL 27 4.921 1.717 -2.697 203 2HG1 VAL 27 2HG1 VAL 27 4.048 1.778 -4.212 204 3HG1 VAL 27 3HG1 VAL 27 4.455 0.203 -3.515 205 1HG2 VAL 27 3HG2 VAL 27 6.549 3.306 -3.896 206 2HG2 VAL 27 1HG2 VAL 27 7.357 2.744 -5.371 207 3HG2 VAL 27 2HG2 VAL 27 5.635 3.077 -5.406 208 H THR 28 H THR 28 7.848 -1.360 -5.026 209 HA THR 28 HA THR 28 6.058 -3.351 -4.177 210 HB THR 28 HB THR 28 8.665 -3.376 -5.741 211 HG1 THR 28 HG1 THR 28 7.256 -2.511 -7.009 212 1HG2 THR 28 2HG2 THR 28 6.710 -5.691 -5.457 213 2HG2 THR 28 3HG2 THR 28 8.047 -5.569 -6.614 214 3HG2 THR 28 1HG2 THR 28 8.395 -5.656 -4.885 215 H GLN 29 H GLN 29 9.545 -2.881 -3.298 216 HA GLN 29 HA GLN 29 9.503 -5.078 -1.445 217 1HB GLN 29 1HB GLN 29 11.620 -4.262 -0.614 218 2HB GLN 29 2HB GLN 29 11.598 -4.471 -2.361 219 1HG GLN 29 1HG GLN 29 11.796 -2.218 -2.796 220 2HG GLN 29 2HG GLN 29 11.206 -1.709 -1.208 221 1HE2 GLN 29 2HE2 GLN 29 15.164 -2.172 -1.735 222 2HE2 GLN 29 1HE2 GLN 29 14.018 -2.187 -3.071 223 H ALA 30 H ALA 30 9.159 -1.484 -0.947 224 HA ALA 30 HA ALA 30 9.067 -1.659 1.853 225 1HB ALA 30 3HB ALA 30 9.387 0.475 0.697 226 2HB ALA 30 1HB ALA 30 7.724 0.406 0.063 227 3HB ALA 30 2HB ALA 30 8.010 0.571 1.806 228 H ALA 31 H ALA 31 6.437 -2.056 -0.520 229 HA ALA 31 HA ALA 31 4.343 -2.188 1.494 230 1HB ALA 31 3HB ALA 31 3.950 -1.377 -0.855 231 2HB ALA 31 1HB ALA 31 4.363 -2.980 -1.488 232 3HB ALA 31 2HB ALA 31 2.920 -2.770 -0.484 233 H SER 32 H SER 32 6.068 -4.692 -0.556 234 HA SER 32 HA SER 32 4.602 -6.909 0.582 235 1HB SER 32 1HB SER 32 6.579 -8.288 -0.097 236 2HB SER 32 2HB SER 32 5.874 -7.320 -1.404 237 HG SER 32 HG SER 32 7.550 -5.916 -1.306 238 H GLN 33 H GLN 33 7.230 -4.951 1.811 239 HA GLN 33 HA GLN 33 7.474 -6.483 4.271 240 1HB GLN 33 1HB GLN 33 8.542 -3.836 3.233 241 2HB GLN 33 2HB GLN 33 8.686 -4.216 4.926 242 1HG GLN 33 1HG GLN 33 9.688 -6.144 2.778 243 2HG GLN 33 2HG GLN 33 10.683 -4.814 3.408 244 1HE2 GLN 33 2HE2 GLN 33 10.106 -8.086 5.760 245 2HE2 GLN 33 1HE2 GLN 33 9.697 -8.037 4.052 246 H VAL 34 H VAL 34 5.731 -3.442 3.286 247 HA VAL 34 HA VAL 34 5.190 -2.532 5.804 248 HB VAL 34 HB VAL 34 4.539 -1.513 3.534 249 1HG1 VAL 34 1HG1 VAL 34 2.667 -3.192 2.860 250 2HG1 VAL 34 2HG1 VAL 34 1.719 -2.397 4.092 251 3HG1 VAL 34 3HG1 VAL 34 2.341 -1.476 2.719 252 1HG2 VAL 34 2HG2 VAL 34 2.806 -1.165 5.924 253 2HG2 VAL 34 3HG2 VAL 34 4.362 -0.347 5.537 254 3HG2 VAL 34 1HG2 VAL 34 2.928 -0.047 4.554 255 H CYS 35 H CYS 35 3.481 -4.968 3.878 256 HA CYS 35 HA CYS 35 1.379 -5.468 5.747 257 1HB CYS 35 1HB CYS 35 2.621 -7.418 3.750 258 2HB CYS 35 2HB CYS 35 1.029 -7.494 4.526 259 H ASP 36 H ASP 36 4.526 -7.223 5.143 260 HA ASP 36 HA ASP 36 3.961 -9.230 7.069 261 1HB ASP 36 1HB ASP 36 5.772 -9.230 5.263 262 2HB ASP 36 2HB ASP 36 6.755 -8.295 6.412 263 H LYS 37 H LYS 37 5.469 -6.100 7.324 264 HA LYS 37 HA LYS 37 6.366 -6.194 10.017 265 1HB LYS 37 1HB LYS 37 7.207 -4.974 8.001 266 2HB LYS 37 2HB LYS 37 5.869 -3.834 8.134 267 1HG LYS 37 1HG LYS 37 6.964 -2.619 9.712 268 2HG LYS 37 2HG LYS 37 7.485 -4.061 10.598 269 1HD LYS 37 1HD LYS 37 9.427 -2.880 9.716 270 2HD LYS 37 2HD LYS 37 9.260 -4.486 8.982 271 1HE LYS 37 1HE LYS 37 8.184 -3.316 6.976 272 2HE LYS 37 2HE LYS 37 8.712 -1.786 7.693 273 1HZ LYS 37 2HZ LYS 37 11.012 -2.728 7.622 274 2HZ LYS 37 3HZ LYS 37 10.436 -4.041 6.803 275 3HZ LYS 37 1HZ LYS 37 10.347 -2.552 6.136 276 H LEU 38 H LEU 38 3.373 -4.838 8.527 277 HA LEU 38 HA LEU 38 2.391 -3.726 11.049 278 1HB LEU 38 1HB LEU 38 1.065 -4.399 8.389 279 2HB LEU 38 2HB LEU 38 0.166 -3.767 9.756 280 HG LEU 38 HG LEU 38 2.484 -2.232 8.510 281 1HD1 LEU 38 2HD1 LEU 38 -0.505 -2.038 7.896 282 2HD1 LEU 38 3HD1 LEU 38 0.756 -0.943 7.287 283 3HD1 LEU 38 1HD1 LEU 38 0.755 -2.640 6.794 284 1HD2 LEU 38 2HD2 LEU 38 0.155 -1.305 10.243 285 2HD2 LEU 38 3HD2 LEU 38 1.852 -1.465 10.766 286 3HD2 LEU 38 1HD2 LEU 38 1.416 -0.279 9.533 287 H LYS 39 H LYS 39 2.521 -5.428 12.573 288 HA LYS 39 HA LYS 39 1.654 -8.077 11.837 289 1HB LYS 39 1HB LYS 39 2.055 -8.702 14.169 290 2HB LYS 39 2HB LYS 39 3.391 -7.765 13.510 291 1HG LYS 39 1HG LYS 39 2.567 -5.743 14.726 292 2HG LYS 39 2HG LYS 39 1.241 -6.707 15.405 293 1HD LYS 39 1HD LYS 39 2.895 -8.208 16.497 294 2HD LYS 39 2HD LYS 39 4.221 -7.244 15.810 295 1HE LYS 39 1HE LYS 39 3.405 -5.246 17.047 296 2HE LYS 39 2HE LYS 39 2.085 -6.203 17.732 297 1HZ LYS 39 2HZ LYS 39 4.971 -6.681 18.212 298 2HZ LYS 39 3HZ LYS 39 3.923 -6.001 19.270 299 3HZ LYS 39 1HZ LYS 39 3.744 -7.573 18.851 300 H ILE 40 H ILE 40 -0.107 -9.279 12.902 301 HA ILE 40 HA ILE 40 -2.266 -9.708 13.320 302 HB ILE 40 HB ILE 40 -2.601 -6.813 14.212 303 1HG1 ILE 40 1HG1 ILE 40 -1.045 -7.936 15.691 304 2HG1 ILE 40 2HG1 ILE 40 -2.581 -7.665 16.491 305 1HG2 ILE 40 3HG2 ILE 40 -4.530 -9.140 14.431 306 2HG2 ILE 40 1HG2 ILE 40 -4.686 -7.588 15.282 307 3HG2 ILE 40 2HG2 ILE 40 -4.743 -7.632 13.526 308 1HD1 ILE 40 1HD1 ILE 40 -3.185 -10.070 16.133 309 2HD1 ILE 40 2HD1 ILE 40 -1.589 -10.332 15.385 310 3HD1 ILE 40 3HD1 ILE 40 -1.709 -9.855 17.085 311 H LEU 41 H LEU 41 -2.032 -6.437 11.867 312 HA LEU 41 HA LEU 41 -4.234 -6.993 10.073 313 1HB LEU 41 1HB LEU 41 -3.567 -4.897 11.398 314 2HB LEU 41 2HB LEU 41 -2.327 -4.610 10.203 315 HG LEU 41 HG LEU 41 -4.524 -3.309 10.182 316 1HD1 LEU 41 2HD1 LEU 41 -2.909 -3.175 8.358 317 2HD1 LEU 41 3HD1 LEU 41 -3.739 -4.511 7.539 318 3HD1 LEU 41 1HD1 LEU 41 -4.591 -2.983 7.834 319 1HD2 LEU 41 3HD2 LEU 41 -6.033 -5.263 10.425 320 2HD2 LEU 41 1HD2 LEU 41 -6.458 -4.202 9.095 321 3HD2 LEU 41 2HD2 LEU 41 -5.642 -5.746 8.757 322 H ARG 42 H ARG 42 -1.228 -8.072 9.962 323 HA ARG 42 HA ARG 42 -0.050 -7.767 7.473 324 1HB ARG 42 1HB ARG 42 1.010 -8.915 9.341 325 2HB ARG 42 2HB ARG 42 -0.253 -10.145 9.374 326 1HG ARG 42 1HG ARG 42 0.516 -10.975 7.157 327 2HG ARG 42 2HG ARG 42 1.825 -9.796 7.173 328 1HD ARG 42 1HD ARG 42 1.396 -11.949 9.311 329 2HD ARG 42 2HD ARG 42 2.397 -12.168 7.870 330 HE ARG 42 HE ARG 42 3.206 -9.827 9.373 331 1HH1 ARG 42 2HH2 ARG 42 3.706 -13.381 9.130 332 2HH1 ARG 42 1HH2 ARG 42 5.339 -13.238 9.686 333 1HH2 ARG 42 2HH1 ARG 42 5.234 -9.780 10.131 334 2HH2 ARG 42 1HH1 ARG 42 6.273 -11.013 9.698 335 H GLY 43 H GLY 43 -2.684 -10.024 8.393 336 1HA GLY 43 1HA GLY 43 -2.759 -11.487 5.960 337 2HA GLY 43 2HA GLY 43 -4.099 -11.308 7.102 338 H LEU 44 H LEU 44 -4.544 -8.506 6.954 339 HA LEU 44 HA LEU 44 -6.270 -8.532 4.694 340 1HB LEU 44 1HB LEU 44 -6.496 -7.327 6.989 341 2HB LEU 44 2HB LEU 44 -5.488 -6.065 6.314 342 HG LEU 44 HG LEU 44 -7.873 -5.540 6.301 343 1HD1 LEU 44 2HD1 LEU 44 -6.568 -4.482 4.528 344 2HD1 LEU 44 3HD1 LEU 44 -6.921 -5.822 3.427 345 3HD1 LEU 44 1HD1 LEU 44 -8.229 -4.784 4.026 346 1HD2 LEU 44 1HD2 LEU 44 -8.736 -7.837 6.059 347 2HD2 LEU 44 2HD2 LEU 44 -9.500 -6.682 4.975 348 3HD2 LEU 44 3HD2 LEU 44 -8.303 -7.826 4.336 349 H CYS 45 H CYS 45 -3.329 -6.567 5.410 350 HA CYS 45 HA CYS 45 -2.910 -5.384 2.978 351 1HB CYS 45 1HB CYS 45 -1.850 -5.006 5.218 352 2HB CYS 45 2HB CYS 45 -0.897 -6.453 4.990 353 H LYS 46 H LYS 46 -1.416 -8.568 4.004 354 HA LYS 46 HA LYS 46 -0.228 -8.941 1.447 355 1HB LYS 46 1HB LYS 46 -0.794 -10.882 3.679 356 2HB LYS 46 2HB LYS 46 -0.265 -11.471 2.090 357 1HG LYS 46 1HG LYS 46 1.684 -10.021 2.109 358 2HG LYS 46 2HG LYS 46 1.183 -9.303 3.632 359 1HD LYS 46 1HD LYS 46 1.755 -11.172 4.901 360 2HD LYS 46 2HD LYS 46 1.873 -12.226 3.468 361 1HE LYS 46 1HE LYS 46 3.762 -10.797 2.619 362 2HE LYS 46 2HE LYS 46 3.710 -9.847 4.101 363 1HZ LYS 46 2HZ LYS 46 4.303 -12.756 4.089 364 2HZ LYS 46 3HZ LYS 46 5.441 -11.582 4.020 365 3HZ LYS 46 1HZ LYS 46 4.548 -11.683 5.334 366 H LYS 47 H LYS 47 -3.542 -9.852 2.493 367 HA LYS 47 HA LYS 47 -4.215 -11.104 0.017 368 1HB LYS 47 1HB LYS 47 -5.539 -11.301 2.038 369 2HB LYS 47 2HB LYS 47 -5.949 -9.604 2.038 370 1HG LYS 47 1HG LYS 47 -6.695 -11.444 -0.266 371 2HG LYS 47 2HG LYS 47 -7.648 -11.392 1.204 372 1HD LYS 47 1HD LYS 47 -7.258 -9.027 -0.692 373 2HD LYS 47 2HD LYS 47 -8.644 -10.082 -0.566 374 1HE LYS 47 1HE LYS 47 -9.431 -8.383 0.695 375 2HE LYS 47 2HE LYS 47 -8.695 -9.358 1.968 376 1HZ LYS 47 1HZ LYS 47 -7.472 -7.003 0.650 377 2HZ LYS 47 2HZ LYS 47 -8.153 -7.010 2.138 378 3HZ LYS 47 3HZ LYS 47 -6.762 -7.847 1.872 379 H ILE 48 H ILE 48 -4.068 -7.603 0.809 380 HA ILE 48 HA ILE 48 -5.297 -6.785 -1.705 381 HB ILE 48 HB ILE 48 -3.417 -5.274 0.174 382 1HG1 ILE 48 1HG1 ILE 48 -6.421 -5.075 -0.332 383 2HG1 ILE 48 2HG1 ILE 48 -5.665 -5.807 1.075 384 1HG2 ILE 48 2HG2 ILE 48 -3.204 -4.404 -2.161 385 2HG2 ILE 48 3HG2 ILE 48 -4.963 -4.168 -2.209 386 3HG2 ILE 48 1HG2 ILE 48 -3.947 -3.247 -1.084 387 1HD1 ILE 48 2HD1 ILE 48 -4.638 -3.583 1.649 388 2HD1 ILE 48 3HD1 ILE 48 -5.647 -2.860 0.376 389 3HD1 ILE 48 1HD1 ILE 48 -6.409 -3.655 1.757 390 H MET 49 H MET 49 -1.854 -7.053 -0.600 391 HA MET 49 HA MET 49 -0.751 -6.420 -3.096 392 1HB MET 49 1HB MET 49 0.500 -8.275 -1.041 393 2HB MET 49 2HB MET 49 1.328 -7.356 -2.301 394 1HG MET 49 1HG MET 49 -0.086 -6.296 0.150 395 2HG MET 49 2HG MET 49 1.630 -6.206 -0.219 396 1HE MET 49 2HE MET 49 1.257 -3.714 0.762 397 2HE MET 49 3HE MET 49 0.267 -2.478 -0.040 398 3HE MET 49 1HE MET 49 -0.515 -3.836 0.792 399 H ARG 50 H ARG 50 -1.718 -9.675 -1.918 400 HA ARG 50 HA ARG 50 -0.743 -11.300 -3.934 401 1HB ARG 50 1HB ARG 50 -2.286 -11.844 -1.897 402 2HB ARG 50 2HB ARG 50 -3.633 -11.488 -2.957 403 1HG ARG 50 1HG ARG 50 -1.618 -13.739 -3.116 404 2HG ARG 50 2HG ARG 50 -3.336 -13.852 -2.804 405 1HD ARG 50 1HD ARG 50 -1.952 -13.338 -5.447 406 2HD ARG 50 2HD ARG 50 -2.861 -14.760 -4.961 407 HE ARG 50 HE ARG 50 -4.711 -12.693 -4.829 408 1HH1 ARG 50 2HH2 ARG 50 -2.674 -14.177 -7.311 409 2HH1 ARG 50 1HH2 ARG 50 -3.682 -13.766 -8.642 410 1HH2 ARG 50 2HH1 ARG 50 -6.000 -11.880 -6.712 411 2HH2 ARG 50 1HH1 ARG 50 -5.632 -12.506 -8.252 412 H SER 51 H SER 51 -3.651 -9.207 -4.104 413 HA SER 51 HA SER 51 -3.991 -10.081 -6.940 414 1HB SER 51 1HB SER 51 -5.793 -10.285 -5.088 415 2HB SER 51 2HB SER 51 -5.971 -8.530 -5.255 416 HG SER 51 HG SER 51 -6.416 -8.883 -7.472 417 H PHE 52 H PHE 52 -2.910 -7.273 -5.131 418 HA PHE 52 HA PHE 52 -3.081 -5.621 -7.620 419 1HB PHE 52 1HB PHE 52 -3.879 -4.895 -4.765 420 2HB PHE 52 2HB PHE 52 -3.818 -3.746 -6.064 421 HD1 PHE 52 HD1 PHE 52 -5.242 -5.429 -8.270 422 HD2 PHE 52 HD2 PHE 52 -6.113 -4.436 -4.158 423 HE1 PHE 52 HE1 PHE 52 -7.663 -5.540 -8.741 424 HE2 PHE 52 HE2 PHE 52 -8.544 -4.503 -4.670 425 HZ PHE 52 HZ PHE 52 -9.314 -5.061 -6.941 426 H LEU 53 H LEU 53 -0.589 -6.970 -6.445 427 HA LEU 53 HA LEU 53 0.738 -5.179 -4.785 428 1HB LEU 53 1HB LEU 53 1.430 -7.571 -5.540 429 2HB LEU 53 2HB LEU 53 2.236 -6.788 -6.876 430 HG LEU 53 HG LEU 53 2.716 -6.328 -3.903 431 1HD1 LEU 53 3HD1 LEU 53 3.481 -8.511 -4.744 432 2HD1 LEU 53 1HD1 LEU 53 4.464 -7.691 -5.979 433 3HD1 LEU 53 2HD1 LEU 53 4.839 -7.484 -4.258 434 1HD2 LEU 53 1HD2 LEU 53 4.257 -5.062 -6.201 435 2HD2 LEU 53 2HD2 LEU 53 3.328 -4.230 -4.922 436 3HD2 LEU 53 3HD2 LEU 53 4.768 -5.110 -4.502 437 H ARG 54 H ARG 54 1.346 -5.371 -8.386 438 HA ARG 54 HA ARG 54 2.804 -2.940 -8.276 439 1HB ARG 54 1HB ARG 54 2.918 -4.767 -10.047 440 2HB ARG 54 2HB ARG 54 1.535 -3.985 -10.824 441 1HG ARG 54 1HG ARG 54 3.710 -2.099 -10.095 442 2HG ARG 54 2HG ARG 54 4.288 -3.365 -11.135 443 1HD ARG 54 1HD ARG 54 1.833 -1.740 -11.875 444 2HD ARG 54 2HD ARG 54 3.454 -1.117 -12.136 445 HE ARG 54 HE ARG 54 2.129 -3.263 -13.600 446 1HH1 ARG 54 2HH2 ARG 54 5.291 -1.702 -12.910 447 2HH1 ARG 54 1HH2 ARG 54 6.031 -2.231 -14.347 448 1HH2 ARG 54 2HH1 ARG 54 3.160 -3.997 -15.563 449 2HH2 ARG 54 1HH1 ARG 54 4.799 -3.566 -15.869 450 H ARG 55 H ARG 55 -0.664 -3.276 -8.075 451 HA ARG 55 HA ARG 55 -1.280 -0.782 -9.375 452 1HB ARG 55 1HB ARG 55 -2.696 -2.595 -7.426 453 2HB ARG 55 2HB ARG 55 -3.286 -1.010 -7.646 454 1HG ARG 55 1HG ARG 55 -3.073 -3.027 -9.882 455 2HG ARG 55 2HG ARG 55 -4.458 -2.930 -8.814 456 1HD ARG 55 1HD ARG 55 -3.837 -0.362 -10.180 457 2HD ARG 55 2HD ARG 55 -4.239 -1.677 -11.263 458 HE ARG 55 HE ARG 55 -6.271 -1.977 -9.638 459 1HH1 ARG 55 2HH2 ARG 55 -5.115 1.260 -10.819 460 2HH1 ARG 55 1HH2 ARG 55 -6.685 1.919 -10.524 461 1HH2 ARG 55 2HH1 ARG 55 -8.387 -0.861 -9.522 462 2HH2 ARG 55 1HH1 ARG 55 -8.314 0.858 -9.760 463 H ILE 56 H ILE 56 -0.587 -1.980 -6.002 464 HA ILE 56 HA ILE 56 -0.737 0.568 -4.759 465 HB ILE 56 HB ILE 56 0.429 -2.101 -4.061 466 1HG1 ILE 56 1HG1 ILE 56 -1.158 -2.077 -2.295 467 2HG1 ILE 56 2HG1 ILE 56 -1.407 -0.347 -2.434 468 1HG2 ILE 56 1HG2 ILE 56 0.931 0.399 -2.401 469 2HG2 ILE 56 2HG2 ILE 56 1.156 -1.277 -1.846 470 3HG2 ILE 56 3HG2 ILE 56 2.152 -0.647 -3.154 471 1HD1 ILE 56 2HD1 ILE 56 -2.405 -2.370 -4.452 472 2HD1 ILE 56 3HD1 ILE 56 -3.354 -1.601 -3.180 473 3HD1 ILE 56 1HD1 ILE 56 -2.697 -0.623 -4.493 474 H SER 57 H SER 57 1.829 -0.855 -6.739 475 HA SER 57 HA SER 57 3.795 1.114 -6.111 476 1HB SER 57 1HB SER 57 4.061 -1.147 -7.291 477 2HB SER 57 2HB SER 57 3.562 -0.285 -8.765 478 HG SER 57 HG SER 57 5.758 -0.359 -8.476 479 H TRP 58 H TRP 58 1.646 0.904 -9.023 480 HA TRP 58 HA TRP 58 2.017 3.462 -10.041 481 1HB TRP 58 1HB TRP 58 0.645 2.458 -11.496 482 2HB TRP 58 2HB TRP 58 -0.081 1.431 -10.272 483 HD1 TRP 58 HD1 TRP 58 -0.482 5.069 -11.579 484 HE1 TRP 58 HE1 TRP 58 -2.847 5.887 -11.049 485 HE3 TRP 58 HE3 TRP 58 -2.235 0.953 -9.226 486 HZ2 TRP 58 HZ2 TRP 58 -5.143 4.935 -9.427 487 HZ3 TRP 58 HZ3 TRP 58 -4.388 0.925 -8.093 488 HH2 TRP 58 HH2 TRP 58 -5.807 2.903 -8.071 489 H ASP 59 H ASP 59 -0.211 2.548 -7.440 490 HA ASP 59 HA ASP 59 -1.525 4.974 -7.039 491 1HB ASP 59 1HB ASP 59 -0.756 2.751 -5.088 492 2HB ASP 59 2HB ASP 59 -1.550 4.178 -4.523 493 HD2 ASP 59 HD2 ASP 59 -3.898 1.693 -6.262 494 H ILE 60 H ILE 60 1.442 3.919 -5.270 495 HA ILE 60 HA ILE 60 1.860 6.504 -4.083 496 HB ILE 60 HB ILE 60 3.369 3.921 -4.240 497 1HG1 ILE 60 1HG1 ILE 60 3.325 4.148 -1.782 498 2HG1 ILE 60 2HG1 ILE 60 2.539 5.712 -1.909 499 1HG2 ILE 60 1HG2 ILE 60 4.574 6.520 -3.219 500 2HG2 ILE 60 2HG2 ILE 60 5.226 4.895 -2.931 501 3HG2 ILE 60 3HG2 ILE 60 5.158 5.512 -4.570 502 1HD1 ILE 60 2HD1 ILE 60 1.311 3.059 -2.764 503 2HD1 ILE 60 3HD1 ILE 60 0.996 3.920 -1.250 504 3HD1 ILE 60 1HD1 ILE 60 0.496 4.649 -2.774 505 H LEU 61 H LEU 61 3.322 4.907 -6.961 506 HA LEU 61 HA LEU 61 5.200 6.896 -7.550 507 1HB LEU 61 1HB LEU 61 3.608 5.098 -9.416 508 2HB LEU 61 2HB LEU 61 4.957 6.087 -9.955 509 HG LEU 61 HG LEU 61 5.267 3.979 -7.780 510 1HD1 LEU 61 3HD1 LEU 61 4.480 2.903 -9.867 511 2HD1 LEU 61 1HD1 LEU 61 5.781 3.704 -10.777 512 3HD1 LEU 61 2HD1 LEU 61 6.158 2.498 -9.528 513 1HD2 LEU 61 3HD2 LEU 61 7.073 5.676 -7.860 514 2HD2 LEU 61 1HD2 LEU 61 7.615 4.070 -8.340 515 3HD2 LEU 61 2HD2 LEU 61 7.332 5.308 -9.582 516 H THR 62 H THR 62 1.751 6.808 -8.437 517 HA THR 62 HA THR 62 2.009 9.465 -9.731 518 HB THR 62 HB THR 62 -0.276 9.152 -10.474 519 HG1 THR 62 HG1 THR 62 -0.120 6.596 -9.244 520 1HG2 THR 62 1HG2 THR 62 1.596 8.291 -11.846 521 2HG2 THR 62 2HG2 THR 62 1.412 6.694 -11.096 522 3HG2 THR 62 3HG2 THR 62 0.098 7.379 -12.081 523 H GLY 63 H GLY 63 2.464 9.132 -6.869 524 1HA GLY 63 1HA GLY 63 1.953 9.939 -4.833 525 2HA GLY 63 2HA GLY 63 1.712 11.423 -5.762 526 H LYS 64 H LYS 64 -0.330 8.393 -5.410 527 HA LYS 64 HA LYS 64 -2.635 10.229 -5.299 528 1HB LYS 64 1HB LYS 64 -2.298 7.940 -6.547 529 2HB LYS 64 2HB LYS 64 -2.603 7.198 -5.022 530 1HG LYS 64 1HG LYS 64 -4.673 7.159 -6.086 531 2HG LYS 64 2HG LYS 64 -4.820 8.553 -5.011 532 1HD LYS 64 1HD LYS 64 -5.748 9.023 -7.230 533 2HD LYS 64 2HD LYS 64 -4.371 10.082 -6.944 534 1HE LYS 64 1HE LYS 64 -3.922 7.438 -8.343 535 2HE LYS 64 2HE LYS 64 -4.748 8.705 -9.248 536 1HZ LYS 64 3HZ LYS 64 -2.130 9.257 -7.967 537 2HZ LYS 64 1HZ LYS 64 -2.206 8.547 -9.396 538 3HZ LYS 64 2HZ LYS 64 -2.847 10.056 -9.191 539 H LYS 65 H LYS 65 -3.967 10.336 -3.544 540 HA LYS 65 HA LYS 65 -2.630 9.878 -0.943 541 1HB LYS 65 1HB LYS 65 -5.341 11.167 -1.450 542 2HB LYS 65 2HB LYS 65 -4.489 11.149 0.085 543 1HG LYS 65 1HG LYS 65 -3.789 12.642 -2.443 544 2HG LYS 65 2HG LYS 65 -4.052 13.286 -0.835 545 1HD LYS 65 1HD LYS 65 -1.602 11.692 -1.748 546 2HD LYS 65 2HD LYS 65 -1.697 13.431 -1.585 547 1HE LYS 65 1HE LYS 65 -1.839 13.366 0.775 548 2HE LYS 65 2HE LYS 65 -2.221 11.634 0.807 549 1HZ LYS 65 2HZ LYS 65 0.383 12.495 -0.251 550 2HZ LYS 65 3HZ LYS 65 0.130 12.296 1.373 551 3HZ LYS 65 1HZ LYS 65 -0.085 11.045 0.420 552 HA PRO 66 HA PRO 66 -4.118 6.009 0.139 553 1HB PRO 66 1HB PRO 66 -5.003 6.253 2.797 554 2HB PRO 66 2HB PRO 66 -3.309 6.104 2.273 555 1HG PRO 66 1HG PRO 66 -4.837 8.642 2.849 556 2HG PRO 66 2HG PRO 66 -3.179 8.183 3.365 557 1HD PRO 66 1HD PRO 66 -3.450 9.780 1.279 558 2HD PRO 66 2HD PRO 66 -2.338 8.381 1.126 559 H GLN 67 H GLN 67 -6.497 8.387 1.362 560 HA GLN 67 HA GLN 67 -8.669 6.575 1.465 561 1HB GLN 67 1HB GLN 67 -8.329 9.004 2.453 562 2HB GLN 67 2HB GLN 67 -8.916 9.559 0.888 563 1HG GLN 67 1HG GLN 67 -10.768 9.512 2.424 564 2HG GLN 67 2HG GLN 67 -11.014 8.210 1.256 565 1HE2 GLN 67 2HE2 GLN 67 -11.480 5.959 3.955 566 2HE2 GLN 67 1HE2 GLN 67 -12.033 6.564 2.416 567 H ALA 68 H ALA 68 -7.299 8.412 -1.229 568 HA ALA 68 HA ALA 68 -9.545 7.832 -3.027 569 1HB ALA 68 2HB ALA 68 -8.268 9.926 -3.297 570 2HB ALA 68 3HB ALA 68 -6.771 8.997 -3.561 571 3HB ALA 68 1HB ALA 68 -8.105 8.890 -4.726 572 H ILE 69 H ILE 69 -6.198 6.597 -2.376 573 HA ILE 69 HA ILE 69 -6.027 4.827 -4.556 574 HB ILE 69 HB ILE 69 -4.936 4.695 -1.701 575 1HG1 ILE 69 1HG1 ILE 69 -3.498 5.173 -4.314 576 2HG1 ILE 69 2HG1 ILE 69 -4.186 6.463 -3.427 577 1HG2 ILE 69 3HG2 ILE 69 -4.620 2.676 -3.917 578 2HG2 ILE 69 1HG2 ILE 69 -3.322 2.899 -2.735 579 3HG2 ILE 69 2HG2 ILE 69 -4.929 2.406 -2.202 580 1HD1 ILE 69 1HD1 ILE 69 -2.132 4.619 -2.150 581 2HD1 ILE 69 2HD1 ILE 69 -1.708 6.053 -3.076 582 3HD1 ILE 69 3HD1 ILE 69 -2.686 6.225 -1.616 583 H CYS 70 H CYS 70 -7.346 4.118 -1.298 584 HA CYS 70 HA CYS 70 -8.118 1.424 -1.812 585 1HB CYS 70 1HB CYS 70 -9.319 3.514 0.055 586 2HB CYS 70 2HB CYS 70 -9.592 1.768 0.156 587 H VAL 71 H VAL 71 -9.897 4.503 -2.418 588 HA VAL 71 HA VAL 71 -12.309 3.180 -3.184 589 HB VAL 71 HB VAL 71 -11.208 5.972 -3.347 590 1HG1 VAL 71 1HG1 VAL 71 -12.528 5.808 -5.428 591 2HG1 VAL 71 2HG1 VAL 71 -13.942 5.277 -4.495 592 3HG1 VAL 71 3HG1 VAL 71 -13.260 6.883 -4.237 593 1HG2 VAL 71 2HG2 VAL 71 -12.102 5.094 -1.205 594 2HG2 VAL 71 3HG2 VAL 71 -13.097 6.420 -1.822 595 3HG2 VAL 71 1HG2 VAL 71 -13.656 4.743 -1.993 596 H ASP 72 H ASP 72 -9.489 4.361 -5.094 597 HA ASP 72 HA ASP 72 -10.522 3.820 -7.670 598 1HB ASP 72 1HB ASP 72 -8.377 5.064 -7.104 599 2HB ASP 72 2HB ASP 72 -7.630 3.527 -6.754 600 H ILE 73 H ILE 73 -8.459 1.767 -5.581 601 HA ILE 73 HA ILE 73 -8.761 -0.472 -7.423 602 HB ILE 73 HB ILE 73 -7.224 -1.657 -6.073 603 1HG1 ILE 73 1HG1 ILE 73 -7.737 0.491 -3.965 604 2HG1 ILE 73 2HG1 ILE 73 -8.023 -1.230 -3.861 605 1HG2 ILE 73 2HG2 ILE 73 -6.498 0.283 -7.545 606 2HG2 ILE 73 3HG2 ILE 73 -6.261 1.216 -6.069 607 3HG2 ILE 73 1HG2 ILE 73 -5.332 -0.284 -6.343 608 1HD1 ILE 73 3HD1 ILE 73 -5.576 -1.628 -4.102 609 2HD1 ILE 73 1HD1 ILE 73 -5.323 0.139 -4.036 610 3HD1 ILE 73 2HD1 ILE 73 -6.013 -0.696 -2.638 611 H LYS 74 H LYS 74 -10.793 0.719 -5.181 612 HA LYS 74 HA LYS 74 -12.670 0.335 -4.411 613 1HB LYS 74 1HB LYS 74 -12.873 -0.325 -6.803 614 2HB LYS 74 2HB LYS 74 -12.767 -2.032 -6.312 615 1HG LYS 74 1HG LYS 74 -14.641 -1.783 -4.880 616 2HG LYS 74 2HG LYS 74 -14.762 -0.079 -5.153 617 1HD LYS 74 1HD LYS 74 -15.355 -2.129 -7.238 618 2HD LYS 74 2HD LYS 74 -16.515 -1.085 -6.422 619 1HE LYS 74 1HE LYS 74 -14.357 -0.303 -8.428 620 2HE LYS 74 2HE LYS 74 -16.108 -0.191 -8.632 621 1HZ LYS 74 1HZ LYS 74 -16.088 1.520 -6.869 622 2HZ LYS 74 2HZ LYS 74 -14.452 1.440 -6.796 623 3HZ LYS 74 3HZ LYS 74 -15.173 1.962 -8.167 624 H ILE 75 H ILE 75 -11.957 0.069 -2.401 625 HA ILE 75 HA ILE 75 -12.225 -2.633 -1.165 626 HB ILE 75 HB ILE 75 -9.879 -0.709 -0.970 627 1HG1 ILE 75 1HG1 ILE 75 -10.065 -3.636 -1.864 628 2HG1 ILE 75 2HG1 ILE 75 -9.758 -2.241 -2.892 629 1HG2 ILE 75 1HG2 ILE 75 -10.316 -3.192 0.733 630 2HG2 ILE 75 2HG2 ILE 75 -8.818 -2.250 0.679 631 3HG2 ILE 75 3HG2 ILE 75 -10.254 -1.502 1.309 632 1HD1 ILE 75 1HD1 ILE 75 -7.655 -1.824 -1.495 633 2HD1 ILE 75 2HD1 ILE 75 -7.897 -3.469 -0.870 634 3HD1 ILE 75 3HD1 ILE 75 -7.652 -3.219 -2.603 635 H CYS 76 H CYS 76 -12.770 0.829 -0.954 636 HA CYS 76 HA CYS 76 -12.832 0.830 1.975 637 1HB CYS 76 1HB CYS 76 -11.962 2.769 0.684 638 2HB CYS 76 2HB CYS 76 -13.518 2.943 -0.108 639 H LYS 77 H LYS 77 -15.064 1.688 -0.544 640 HA LYS 77 HA LYS 77 -17.326 0.699 -0.554 641 1HB LYS 77 1HB LYS 77 -17.766 0.721 1.931 642 2HB LYS 77 2HB LYS 77 -17.803 2.489 1.879 643 1HG LYS 77 1HG LYS 77 -19.528 1.275 -0.218 644 2HG LYS 77 2HG LYS 77 -19.883 0.616 1.355 645 1HD LYS 77 1HD LYS 77 -21.422 2.327 1.106 646 2HD LYS 77 2HD LYS 77 -20.224 2.963 2.219 647 1HE LYS 77 1HE LYS 77 -20.924 4.713 0.711 648 2HE LYS 77 2HE LYS 77 -19.251 4.330 0.387 649 1HZ LYS 77 3HZ LYS 77 -20.090 2.982 -1.572 650 2HZ LYS 77 1HZ LYS 77 -21.581 3.636 -1.313 651 3HZ LYS 77 2HZ LYS 77 -20.237 4.509 -1.703 652 H GLU 78 H GLU 78 -16.763 1.567 -2.293 653 HA GLU 78 HA GLU 78 -16.643 4.381 -2.965 654 1HB GLU 78 1HB GLU 78 -16.990 1.791 -4.597 655 2HB GLU 78 2HB GLU 78 -16.541 3.371 -5.238 656 1HG GLU 78 1HG GLU 78 -14.557 2.009 -5.076 657 2HG GLU 78 2HG GLU 78 -14.448 3.315 -3.935 No H/Q in entry = 657 Start of MODEL 18 1 1H GLY 1 2H GLY 1 -16.889 0.459 3.988 2 2H GLY 1 3H GLY 1 -15.919 -0.343 2.948 3 3H GLY 1 1H GLY 1 -17.541 -0.610 2.911 4 1HA GLY 1 1HA GLY 1 -17.513 -1.596 5.102 5 2HA GLY 1 2HA GLY 1 -16.407 -2.442 3.998 6 H TYR 2 H TYR 2 -15.825 -2.829 6.662 7 HA TYR 2 HA TYR 2 -14.023 -1.158 7.962 8 1HB TYR 2 1HB TYR 2 -14.743 -3.225 8.947 9 2HB TYR 2 2HB TYR 2 -14.116 -4.167 7.600 10 HD1 TYR 2 HD2 TYR 2 -12.506 -1.516 9.822 11 HD2 TYR 2 HD1 TYR 2 -12.435 -5.599 8.383 12 HE1 TYR 2 HE2 TYR 2 -10.434 -1.913 11.057 13 HE2 TYR 2 HE1 TYR 2 -10.357 -6.000 9.655 14 HH TYR 2 HH TYR 2 -8.996 -3.565 11.855 15 H PHE 3 H PHE 3 -13.517 -3.147 5.088 16 HA PHE 3 HA PHE 3 -10.868 -3.048 4.598 17 1HB PHE 3 1HB PHE 3 -13.254 -2.690 2.785 18 2HB PHE 3 2HB PHE 3 -11.636 -2.611 2.159 19 HD1 PHE 3 HD1 PHE 3 -10.068 -4.474 2.269 20 HD2 PHE 3 HD2 PHE 3 -14.244 -4.912 3.298 21 HE1 PHE 3 HE1 PHE 3 -9.920 -6.906 1.839 22 HE2 PHE 3 HE2 PHE 3 -14.066 -7.354 2.912 23 HZ PHE 3 HZ PHE 3 -11.923 -8.344 2.167 24 H CYS 4 H CYS 4 -12.999 -0.112 4.307 25 HA CYS 4 HA CYS 4 -11.029 1.390 2.879 26 1HB CYS 4 1HB CYS 4 -13.530 1.998 3.263 27 2HB CYS 4 2HB CYS 4 -13.001 2.648 4.811 28 H GLU 5 H GLU 5 -11.709 1.073 6.390 29 HA GLU 5 HA GLU 5 -9.720 2.916 7.306 30 1HB GLU 5 1HB GLU 5 -11.744 2.102 8.545 31 2HB GLU 5 2HB GLU 5 -11.008 0.514 8.698 32 1HG GLU 5 1HG GLU 5 -9.899 3.120 9.834 33 2HG GLU 5 2HG GLU 5 -10.810 1.910 10.745 34 H SER 6 H SER 6 -9.817 -0.640 7.006 35 HA SER 6 HA SER 6 -7.199 -1.231 7.817 36 1HB SER 6 1HB SER 6 -8.949 -2.586 5.725 37 2HB SER 6 2HB SER 6 -7.460 -3.267 6.401 38 HG SER 6 HG SER 6 -9.665 -2.473 8.023 39 H CYS 7 H CYS 7 -8.359 -0.576 4.490 40 HA CYS 7 HA CYS 7 -5.883 -0.865 3.143 41 1HB CYS 7 1HB CYS 7 -8.020 -1.042 2.073 42 2HB CYS 7 2HB CYS 7 -8.452 0.612 2.494 43 H ARG 8 H ARG 8 -7.580 2.077 4.452 44 HA ARG 8 HA ARG 8 -5.647 3.949 3.614 45 1HB ARG 8 1HB ARG 8 -7.887 4.555 4.640 46 2HB ARG 8 2HB ARG 8 -7.263 4.033 6.208 47 1HG ARG 8 1HG ARG 8 -5.301 5.773 5.582 48 2HG ARG 8 2HG ARG 8 -6.551 6.468 4.565 49 1HD ARG 8 1HD ARG 8 -7.929 6.966 6.468 50 2HD ARG 8 2HD ARG 8 -6.964 5.919 7.531 51 HE ARG 8 HE ARG 8 -5.117 7.757 6.642 52 1HH1 ARG 8 2HH2 ARG 8 -8.179 8.100 8.413 53 2HH1 ARG 8 1HH2 ARG 8 -7.654 9.506 9.266 54 1HH2 ARG 8 2HH1 ARG 8 -4.423 9.481 7.747 55 2HH2 ARG 8 1HH1 ARG 8 -5.420 10.364 8.858 56 H LYS 9 H LYS 9 -5.843 2.109 6.718 57 HA LYS 9 HA LYS 9 -3.442 3.164 7.785 58 1HB LYS 9 1HB LYS 9 -5.236 2.070 9.039 59 2HB LYS 9 2HB LYS 9 -4.847 0.511 8.287 60 1HG LYS 9 1HG LYS 9 -2.835 0.289 9.498 61 2HG LYS 9 2HG LYS 9 -2.731 2.026 9.810 62 1HD LYS 9 1HD LYS 9 -3.244 0.946 11.873 63 2HD LYS 9 2HD LYS 9 -4.629 1.905 11.384 64 1HE LYS 9 1HE LYS 9 -4.385 -1.135 11.123 65 2HE LYS 9 2HE LYS 9 -5.253 -0.252 12.395 66 1HZ LYS 9 2HZ LYS 9 -6.660 0.708 10.645 67 2HZ LYS 9 3HZ LYS 9 -6.007 -0.257 9.538 68 3HZ LYS 9 1HZ LYS 9 -6.899 -0.838 10.796 69 H ILE 10 H ILE 10 -3.951 0.279 5.717 70 HA ILE 10 HA ILE 10 -1.272 -0.682 5.823 71 HB ILE 10 HB ILE 10 -3.506 -1.054 3.822 72 1HG1 ILE 10 1HG1 ILE 10 -2.139 -3.035 5.717 73 2HG1 ILE 10 2HG1 ILE 10 -3.510 -2.069 6.212 74 1HG2 ILE 10 2HG2 ILE 10 -0.749 -2.370 3.803 75 2HG2 ILE 10 3HG2 ILE 10 -2.124 -2.879 2.798 76 3HG2 ILE 10 1HG2 ILE 10 -1.405 -1.296 2.554 77 1HD1 ILE 10 2HD1 ILE 10 -4.899 -3.062 4.410 78 2HD1 ILE 10 3HD1 ILE 10 -3.537 -4.113 3.964 79 3HD1 ILE 10 1HD1 ILE 10 -4.281 -4.268 5.550 80 H ILE 11 H ILE 11 -2.819 1.495 3.322 81 HA ILE 11 HA ILE 11 -0.259 1.909 2.121 82 HB ILE 11 HB ILE 11 -2.895 3.280 1.781 83 1HG1 ILE 11 1HG1 ILE 11 -1.539 2.530 -0.664 84 2HG1 ILE 11 2HG1 ILE 11 -1.273 1.200 0.441 85 1HG2 ILE 11 3HG2 ILE 11 -1.237 5.151 1.681 86 2HG2 ILE 11 1HG2 ILE 11 -0.266 4.222 0.535 87 3HG2 ILE 11 2HG2 ILE 11 -1.898 4.765 0.111 88 1HD1 ILE 11 2HD1 ILE 11 -3.968 2.381 -0.259 89 2HD1 ILE 11 3HD1 ILE 11 -3.256 0.887 -0.922 90 3HD1 ILE 11 1HD1 ILE 11 -3.670 0.975 0.808 91 H GLN 12 H GLN 12 -1.956 3.830 4.705 92 HA GLN 12 HA GLN 12 -0.197 6.006 4.626 93 1HB GLN 12 1HB GLN 12 -1.610 4.722 6.991 94 2HB GLN 12 2HB GLN 12 -0.719 6.235 7.131 95 1HG GLN 12 1HG GLN 12 -2.769 6.110 4.945 96 2HG GLN 12 2HG GLN 12 -3.346 6.073 6.608 97 1HE2 GLN 12 2HE2 GLN 12 -1.313 9.527 5.521 98 2HE2 GLN 12 1HE2 GLN 12 -0.873 8.088 4.683 99 H LYS 13 H LYS 13 0.284 2.872 6.342 100 HA LYS 13 HA LYS 13 2.777 3.864 7.443 101 1HB LYS 13 1HB LYS 13 1.256 1.969 8.379 102 2HB LYS 13 2HB LYS 13 2.005 0.943 7.159 103 1HG LYS 13 1HG LYS 13 3.065 0.624 9.306 104 2HG LYS 13 2HG LYS 13 4.235 1.324 8.201 105 1HD LYS 13 1HD LYS 13 2.650 3.211 9.961 106 2HD LYS 13 2HD LYS 13 3.869 2.190 10.738 107 1HE LYS 13 1HE LYS 13 5.630 3.042 9.263 108 2HE LYS 13 2HE LYS 13 4.484 3.964 8.335 109 1HZ LYS 13 1HZ LYS 13 5.190 4.556 11.160 110 2HZ LYS 13 2HZ LYS 13 5.634 5.339 9.781 111 3HZ LYS 13 3HZ LYS 13 4.131 5.421 10.191 112 H LEU 14 H LEU 14 1.867 2.325 4.414 113 HA LEU 14 HA LEU 14 4.566 1.573 3.650 114 1HB LEU 14 1HB LEU 14 2.540 0.514 2.672 115 2HB LEU 14 2HB LEU 14 2.051 2.053 1.988 116 HG LEU 14 HG LEU 14 3.884 2.095 0.437 117 1HD1 LEU 14 3HD1 LEU 14 4.901 -0.370 1.908 118 2HD1 LEU 14 1HD1 LEU 14 5.458 0.115 0.285 119 3HD1 LEU 14 2HD1 LEU 14 5.747 1.167 1.663 120 1HD2 LEU 14 1HD2 LEU 14 1.873 0.767 -0.119 121 2HD2 LEU 14 2HD2 LEU 14 3.321 0.068 -0.855 122 3HD2 LEU 14 3HD2 LEU 14 2.620 -0.680 0.596 123 H GLU 15 H GLU 15 2.425 4.319 3.029 124 HA GLU 15 HA GLU 15 3.960 5.836 1.244 125 1HB GLU 15 1HB GLU 15 1.521 5.944 1.710 126 2HB GLU 15 2HB GLU 15 1.833 6.393 3.377 127 1HG GLU 15 1HG GLU 15 2.555 8.626 2.665 128 2HG GLU 15 2HG GLU 15 2.298 8.169 0.970 129 H ASP 16 H ASP 16 3.614 6.106 4.806 130 HA ASP 16 HA ASP 16 5.687 7.948 5.326 131 1HB ASP 16 1HB ASP 16 4.125 7.349 7.037 132 2HB ASP 16 2HB ASP 16 4.354 5.629 6.771 133 H MET 17 H MET 17 5.933 4.429 4.796 134 HA MET 17 HA MET 17 8.712 4.431 5.691 135 1HB MET 17 1HB MET 17 6.847 2.321 4.550 136 2HB MET 17 2HB MET 17 8.588 2.028 4.698 137 1HG MET 17 1HG MET 17 8.563 2.485 7.059 138 2HG MET 17 2HG MET 17 6.876 2.981 7.011 139 1HE MET 17 1HE MET 17 9.284 -0.101 6.280 140 2HE MET 17 2HE MET 17 8.128 -1.456 6.282 141 3HE MET 17 3HE MET 17 8.091 -0.265 4.971 142 H VAL 18 H VAL 18 7.099 4.102 2.447 143 HA VAL 18 HA VAL 18 9.661 3.665 1.177 144 HB VAL 18 HB VAL 18 7.330 2.900 0.406 145 1HG1 VAL 18 2HG1 VAL 18 6.202 5.095 0.381 146 2HG1 VAL 18 3HG1 VAL 18 7.257 5.593 -0.951 147 3HG1 VAL 18 1HG1 VAL 18 6.142 4.238 -1.178 148 1HG2 VAL 18 1HG2 VAL 18 9.482 3.924 -1.419 149 2HG2 VAL 18 2HG2 VAL 18 9.196 2.295 -0.791 150 3HG2 VAL 18 3HG2 VAL 18 8.086 2.967 -1.988 151 H GLY 19 H GLY 19 7.623 6.466 1.983 152 1HA GLY 19 1HA GLY 19 8.249 8.603 2.297 153 2HA GLY 19 2HA GLY 19 9.888 8.235 1.726 154 HA PRO 20 HA PRO 20 7.607 10.595 -1.594 155 1HB PRO 20 1HB PRO 20 9.401 12.582 -2.087 156 2HB PRO 20 2HB PRO 20 8.326 12.630 -0.654 157 1HG PRO 20 1HG PRO 20 11.203 11.661 -0.797 158 2HG PRO 20 2HG PRO 20 10.482 12.811 0.377 159 1HD PRO 20 1HD PRO 20 10.775 10.125 0.871 160 2HD PRO 20 2HD PRO 20 9.391 11.083 1.535 161 H GLN 21 H GLN 21 8.248 10.997 -3.667 162 HA GLN 21 HA GLN 21 8.629 9.917 -5.738 163 1HB GLN 21 1HB GLN 21 11.303 11.033 -4.829 164 2HB GLN 21 2HB GLN 21 10.950 10.546 -6.495 165 1HG GLN 21 1HG GLN 21 9.230 12.211 -6.735 166 2HG GLN 21 2HG GLN 21 9.274 12.610 -5.017 167 1HE2 GLN 21 2HE2 GLN 21 12.626 13.874 -7.019 168 2HE2 GLN 21 1HE2 GLN 21 12.125 12.205 -7.264 169 HA PRO 22 HA PRO 22 10.584 5.940 -4.293 170 1HB PRO 22 1HB PRO 22 8.518 4.304 -3.957 171 2HB PRO 22 2HB PRO 22 8.881 5.586 -2.756 172 1HG PRO 22 1HG PRO 22 6.864 5.725 -5.020 173 2HG PRO 22 2HG PRO 22 6.611 6.033 -3.260 174 1HD PRO 22 1HD PRO 22 7.184 8.057 -5.040 175 2HD PRO 22 2HD PRO 22 7.714 8.067 -3.328 176 H ASN 23 H ASN 23 9.997 3.633 -5.514 177 HA ASN 23 HA ASN 23 9.033 4.071 -8.243 178 1HB ASN 23 1HB ASN 23 10.898 2.970 -9.286 179 2HB ASN 23 2HB ASN 23 11.506 4.354 -8.377 180 1HD2 ASN 23 2HD2 ASN 23 13.312 2.318 -6.068 181 2HD2 ASN 23 1HD2 ASN 23 13.014 3.940 -6.659 182 H GLU 24 H GLU 24 8.628 1.951 -9.281 183 HA GLU 24 HA GLU 24 6.821 0.363 -8.011 184 1HB GLU 24 1HB GLU 24 7.220 0.566 -10.442 185 2HB GLU 24 2HB GLU 24 8.747 -0.243 -10.270 186 1HG GLU 24 1HG GLU 24 7.455 -1.923 -11.155 187 2HG GLU 24 2HG GLU 24 7.351 -2.327 -9.451 188 H ASP 25 H ASP 25 10.392 -0.312 -8.021 189 HA ASP 25 HA ASP 25 10.010 -2.939 -6.797 190 1HB ASP 25 1HB ASP 25 12.050 -2.694 -8.022 191 2HB ASP 25 2HB ASP 25 12.479 -1.206 -7.162 192 H THR 26 H THR 26 11.264 0.246 -5.694 193 HA THR 26 HA THR 26 11.580 -0.553 -3.049 194 HB THR 26 HB THR 26 10.992 2.284 -3.983 195 HG1 THR 26 HG1 THR 26 13.155 0.496 -4.301 196 1HG2 THR 26 2HG2 THR 26 11.268 1.980 -1.492 197 2HG2 THR 26 3HG2 THR 26 12.828 1.199 -1.779 198 3HG2 THR 26 1HG2 THR 26 12.591 2.905 -2.214 199 H VAL 27 H VAL 27 8.613 0.642 -4.616 200 HA VAL 27 HA VAL 27 7.081 0.763 -2.152 201 HB VAL 27 HB VAL 27 6.156 0.359 -5.046 202 1HG1 VAL 27 2HG1 VAL 27 4.540 1.120 -2.571 203 2HG1 VAL 27 3HG1 VAL 27 3.928 1.144 -4.236 204 3HG1 VAL 27 1HG1 VAL 27 4.388 -0.392 -3.498 205 1HG2 VAL 27 2HG2 VAL 27 7.261 2.563 -4.666 206 2HG2 VAL 27 3HG2 VAL 27 5.545 2.738 -5.001 207 3HG2 VAL 27 1HG2 VAL 27 6.142 2.892 -3.334 208 H THR 28 H THR 28 7.665 -1.842 -4.589 209 HA THR 28 HA THR 28 5.940 -3.771 -3.438 210 HB THR 28 HB THR 28 8.464 -4.105 -5.127 211 HG1 THR 28 HG1 THR 28 7.053 -3.000 -6.321 212 1HG2 THR 28 3HG2 THR 28 6.176 -6.034 -4.557 213 2HG2 THR 28 1HG2 THR 28 7.420 -6.245 -5.813 214 3HG2 THR 28 2HG2 THR 28 7.886 -6.247 -4.108 215 H GLN 29 H GLN 29 9.516 -3.274 -2.960 216 HA GLN 29 HA GLN 29 9.616 -5.402 -1.033 217 1HB GLN 29 1HB GLN 29 11.841 -4.527 -0.406 218 2HB GLN 29 2HB GLN 29 11.648 -4.963 -2.099 219 1HG GLN 29 1HG GLN 29 11.730 -2.754 -2.838 220 2HG GLN 29 2HG GLN 29 11.409 -2.074 -1.232 221 1HE2 GLN 29 2HE2 GLN 29 15.222 -2.596 -2.354 222 2HE2 GLN 29 1HE2 GLN 29 13.883 -2.671 -3.491 223 H ALA 30 H ALA 30 9.406 -1.774 -0.612 224 HA ALA 30 HA ALA 30 9.516 -1.822 2.193 225 1HB ALA 30 3HB ALA 30 9.675 0.261 0.897 226 2HB ALA 30 1HB ALA 30 7.975 0.100 0.395 227 3HB ALA 30 2HB ALA 30 8.380 0.372 2.102 228 H ALA 31 H ALA 31 6.735 -2.310 -0.006 229 HA ALA 31 HA ALA 31 4.770 -2.554 2.030 230 1HB ALA 31 1HB ALA 31 4.203 -2.218 -0.374 231 2HB ALA 31 2HB ALA 31 4.813 -3.836 -0.757 232 3HB ALA 31 3HB ALA 31 3.392 -3.647 0.292 233 H SER 32 H SER 32 6.864 -5.081 0.434 234 HA SER 32 HA SER 32 5.615 -7.264 1.754 235 1HB SER 32 1HB SER 32 7.461 -8.566 1.102 236 2HB SER 32 2HB SER 32 7.353 -7.316 -0.142 237 HG SER 32 HG SER 32 9.065 -6.191 1.081 238 H GLN 33 H GLN 33 7.979 -4.954 3.020 239 HA GLN 33 HA GLN 33 7.997 -6.272 5.646 240 1HB GLN 33 1HB GLN 33 9.322 -3.798 4.504 241 2HB GLN 33 2HB GLN 33 9.257 -4.074 6.244 242 1HG GLN 33 1HG GLN 33 11.376 -4.868 5.324 243 2HG GLN 33 2HG GLN 33 10.452 -6.189 6.041 244 1HE2 GLN 33 2HE2 GLN 33 10.167 -7.879 2.918 245 2HE2 GLN 33 1HE2 GLN 33 9.911 -8.016 4.674 246 H VAL 34 H VAL 34 6.275 -3.488 4.107 247 HA VAL 34 HA VAL 34 5.401 -2.275 6.452 248 HB VAL 34 HB VAL 34 4.960 -1.549 3.999 249 1HG1 VAL 34 3HG1 VAL 34 3.237 -3.426 3.375 250 2HG1 VAL 34 1HG1 VAL 34 2.144 -2.539 4.401 251 3HG1 VAL 34 2HG1 VAL 34 2.856 -1.757 2.991 252 1HG2 VAL 34 1HG2 VAL 34 3.088 -1.052 6.266 253 2HG2 VAL 34 2HG2 VAL 34 4.522 -0.110 5.714 254 3HG2 VAL 34 3HG2 VAL 34 3.047 -0.165 4.732 255 H CYS 35 H CYS 35 4.131 -5.014 4.631 256 HA CYS 35 HA CYS 35 1.887 -5.589 6.302 257 1HB CYS 35 1HB CYS 35 3.496 -7.493 4.572 258 2HB CYS 35 2HB CYS 35 1.863 -7.725 5.222 259 H ASP 36 H ASP 36 5.322 -6.906 6.312 260 HA ASP 36 HA ASP 36 4.786 -8.683 8.483 261 1HB ASP 36 1HB ASP 36 6.972 -8.587 7.182 262 2HB ASP 36 2HB ASP 36 7.439 -7.249 8.250 263 H LYS 37 H LYS 37 5.721 -5.279 8.474 264 HA LYS 37 HA LYS 37 6.036 -4.953 11.282 265 1HB LYS 37 1HB LYS 37 6.979 -3.696 9.278 266 2HB LYS 37 2HB LYS 37 5.425 -2.886 9.119 267 1HG LYS 37 1HG LYS 37 5.815 -1.783 11.323 268 2HG LYS 37 2HG LYS 37 7.357 -2.671 11.478 269 1HD LYS 37 1HD LYS 37 8.085 -1.695 9.269 270 2HD LYS 37 2HD LYS 37 6.577 -0.766 9.242 271 1HE LYS 37 1HE LYS 37 7.276 0.543 11.150 272 2HE LYS 37 2HE LYS 37 8.716 -0.464 11.385 273 1HZ LYS 37 1HZ LYS 37 8.219 1.188 8.968 274 2HZ LYS 37 2HZ LYS 37 9.176 1.649 10.222 275 3HZ LYS 37 3HZ LYS 37 9.586 0.357 9.310 276 H LEU 38 H LEU 38 3.275 -4.234 9.050 277 HA LEU 38 HA LEU 38 1.515 -3.493 11.304 278 1HB LEU 38 1HB LEU 38 1.012 -4.020 8.335 279 2HB LEU 38 2HB LEU 38 -0.252 -3.613 9.485 280 HG LEU 38 HG LEU 38 2.080 -1.769 8.805 281 1HD1 LEU 38 3HD1 LEU 38 -0.823 -1.833 7.859 282 2HD1 LEU 38 1HD1 LEU 38 0.322 -0.520 7.533 283 3HD1 LEU 38 2HD1 LEU 38 0.627 -2.129 6.869 284 1HD2 LEU 38 2HD2 LEU 38 -0.495 -1.307 10.387 285 2HD2 LEU 38 3HD2 LEU 38 1.162 -1.278 11.034 286 3HD2 LEU 38 1HD2 LEU 38 0.640 -0.039 9.890 287 H LYS 39 H LYS 39 2.093 -5.483 12.467 288 HA LYS 39 HA LYS 39 1.106 -7.924 11.239 289 1HB LYS 39 1HB LYS 39 1.811 -9.129 13.301 290 2HB LYS 39 2HB LYS 39 2.999 -8.454 12.203 291 1HG LYS 39 1HG LYS 39 3.346 -6.542 13.770 292 2HG LYS 39 2HG LYS 39 2.209 -7.284 14.900 293 1HD LYS 39 1HD LYS 39 4.632 -7.678 15.438 294 2HD LYS 39 2HD LYS 39 3.676 -9.134 15.286 295 1HE LYS 39 1HE LYS 39 5.865 -9.503 14.338 296 2HE LYS 39 2HE LYS 39 4.641 -9.622 13.081 297 1HZ LYS 39 1HZ LYS 39 5.288 -7.422 12.315 298 2HZ LYS 39 2HZ LYS 39 6.467 -7.326 13.485 299 3HZ LYS 39 3HZ LYS 39 6.524 -8.428 12.254 300 H ILE 40 H ILE 40 -0.445 -9.376 12.563 301 HA ILE 40 HA ILE 40 -2.582 -9.774 13.185 302 HB ILE 40 HB ILE 40 -2.919 -6.800 13.839 303 1HG1 ILE 40 1HG1 ILE 40 -2.692 -9.218 15.689 304 2HG1 ILE 40 2HG1 ILE 40 -1.353 -8.126 15.326 305 1HG2 ILE 40 1HG2 ILE 40 -5.046 -7.783 13.100 306 2HG2 ILE 40 2HG2 ILE 40 -4.861 -9.094 14.283 307 3HG2 ILE 40 3HG2 ILE 40 -5.068 -7.410 14.806 308 1HD1 ILE 40 3HD1 ILE 40 -2.671 -6.213 16.248 309 2HD1 ILE 40 1HD1 ILE 40 -3.924 -7.371 16.762 310 3HD1 ILE 40 2HD1 ILE 40 -2.293 -7.476 17.435 311 H LEU 41 H LEU 41 -2.309 -6.610 11.491 312 HA LEU 41 HA LEU 41 -4.290 -7.338 9.496 313 1HB LEU 41 1HB LEU 41 -3.826 -5.069 10.600 314 2HB LEU 41 2HB LEU 41 -2.385 -4.962 9.594 315 HG LEU 41 HG LEU 41 -3.791 -4.931 7.570 316 1HD1 LEU 41 3HD1 LEU 41 -6.155 -5.101 9.505 317 2HD1 LEU 41 1HD1 LEU 41 -6.280 -4.686 7.790 318 3HD1 LEU 41 2HD1 LEU 41 -5.729 -6.290 8.258 319 1HD2 LEU 41 3HD2 LEU 41 -4.694 -2.975 9.725 320 2HD2 LEU 41 1HD2 LEU 41 -3.260 -2.807 8.684 321 3HD2 LEU 41 2HD2 LEU 41 -4.884 -2.734 7.976 322 H ARG 42 H ARG 42 -1.421 -8.479 9.853 323 HA ARG 42 HA ARG 42 0.291 -8.224 7.663 324 1HB ARG 42 1HB ARG 42 0.614 -9.366 9.895 325 2HB ARG 42 2HB ARG 42 -0.386 -10.691 9.352 326 1HG ARG 42 1HG ARG 42 1.368 -11.217 7.613 327 2HG ARG 42 2HG ARG 42 2.363 -9.908 8.304 328 1HD ARG 42 1HD ARG 42 2.115 -11.053 10.578 329 2HD ARG 42 2HD ARG 42 1.306 -12.387 9.763 330 HE ARG 42 HE ARG 42 3.315 -13.180 9.002 331 1HH1 ARG 42 2HH2 ARG 42 3.891 -9.897 10.368 332 2HH1 ARG 42 1HH2 ARG 42 5.609 -10.129 10.372 333 1HH2 ARG 42 2HH1 ARG 42 5.699 -13.355 9.042 334 2HH2 ARG 42 1HH1 ARG 42 6.549 -11.872 9.358 335 H GLY 43 H GLY 43 -2.386 -10.549 8.172 336 1HA GLY 43 1HA GLY 43 -2.123 -11.995 5.736 337 2HA GLY 43 2HA GLY 43 -3.572 -11.899 6.752 338 H LEU 44 H LEU 44 -4.089 -9.037 6.590 339 HA LEU 44 HA LEU 44 -5.553 -9.168 4.129 340 1HB LEU 44 1HB LEU 44 -6.237 -7.964 6.354 341 2HB LEU 44 2HB LEU 44 -5.179 -6.664 5.804 342 HG LEU 44 HG LEU 44 -6.545 -6.819 3.550 343 1HD1 LEU 44 1HD1 LEU 44 -8.487 -8.161 5.493 344 2HD1 LEU 44 2HD1 LEU 44 -8.887 -7.588 3.871 345 3HD1 LEU 44 3HD1 LEU 44 -7.754 -8.929 4.069 346 1HD2 LEU 44 3HD2 LEU 44 -7.875 -5.749 6.070 347 2HD2 LEU 44 1HD2 LEU 44 -6.678 -4.901 5.058 348 3HD2 LEU 44 2HD2 LEU 44 -8.272 -5.294 4.399 349 H CYS 45 H CYS 45 -2.893 -7.048 5.338 350 HA CYS 45 HA CYS 45 -2.303 -5.635 3.057 351 1HB CYS 45 1HB CYS 45 -1.392 -5.331 5.318 352 2HB CYS 45 2HB CYS 45 -0.429 -6.792 5.159 353 H LYS 46 H LYS 46 -0.793 -8.861 3.876 354 HA LYS 46 HA LYS 46 0.592 -8.870 1.365 355 1HB LYS 46 1HB LYS 46 0.030 -11.095 3.346 356 2HB LYS 46 2HB LYS 46 0.895 -11.376 1.816 357 1HG LYS 46 1HG LYS 46 2.544 -9.644 2.353 358 2HG LYS 46 2HG LYS 46 1.658 -9.246 3.826 359 1HD LYS 46 1HD LYS 46 2.185 -11.372 4.823 360 2HD LYS 46 2HD LYS 46 3.071 -11.885 3.379 361 1HE LYS 46 1HE LYS 46 3.755 -9.496 5.167 362 2HE LYS 46 2HE LYS 46 4.565 -11.058 5.231 363 1HZ LYS 46 3HZ LYS 46 4.583 -9.351 2.820 364 2HZ LYS 46 1HZ LYS 46 5.742 -9.285 3.956 365 3HZ LYS 46 2HZ LYS 46 5.519 -10.677 3.112 366 H LYS 47 H LYS 47 -2.686 -10.107 2.150 367 HA LYS 47 HA LYS 47 -3.045 -11.299 -0.446 368 1HB LYS 47 1HB LYS 47 -4.505 -11.797 1.501 369 2HB LYS 47 2HB LYS 47 -5.137 -10.144 1.455 370 1HG LYS 47 1HG LYS 47 -6.043 -10.536 -0.812 371 2HG LYS 47 2HG LYS 47 -5.397 -12.179 -0.819 372 1HD LYS 47 1HD LYS 47 -7.360 -11.188 1.287 373 2HD LYS 47 2HD LYS 47 -7.915 -11.805 -0.260 374 1HE LYS 47 1HE LYS 47 -6.123 -13.437 1.591 375 2HE LYS 47 2HE LYS 47 -7.884 -13.430 1.732 376 1HZ LYS 47 3HZ LYS 47 -8.048 -14.255 -0.515 377 2HZ LYS 47 1HZ LYS 47 -6.412 -14.268 -0.690 378 3HZ LYS 47 2HZ LYS 47 -7.139 -15.269 0.392 379 H ILE 48 H ILE 48 -3.760 -7.984 0.782 380 HA ILE 48 HA ILE 48 -4.995 -6.925 -1.528 381 HB ILE 48 HB ILE 48 -3.302 -5.657 0.652 382 1HG1 ILE 48 1HG1 ILE 48 -5.675 -6.772 1.082 383 2HG1 ILE 48 2HG1 ILE 48 -5.133 -5.316 1.907 384 1HG2 ILE 48 1HG2 ILE 48 -4.910 -4.180 -1.457 385 2HG2 ILE 48 2HG2 ILE 48 -4.227 -3.453 0.019 386 3HG2 ILE 48 3HG2 ILE 48 -3.158 -4.123 -1.205 387 1HD1 ILE 48 1HD1 ILE 48 -6.969 -5.336 -0.511 388 2HD1 ILE 48 2HD1 ILE 48 -7.495 -5.255 1.187 389 3HD1 ILE 48 3HD1 ILE 48 -6.540 -3.932 0.512 390 H MET 49 H MET 49 -1.531 -6.746 -0.501 391 HA MET 49 HA MET 49 -0.521 -5.560 -2.828 392 1HB MET 49 1HB MET 49 0.658 -7.315 -0.656 393 2HB MET 49 2HB MET 49 1.635 -6.791 -2.025 394 1HG MET 49 1HG MET 49 1.827 -5.337 -0.013 395 2HG MET 49 2HG MET 49 1.416 -4.524 -1.520 396 1HE MET 49 1HE MET 49 0.958 -2.384 -0.549 397 2HE MET 49 2HE MET 49 -0.278 -1.981 0.656 398 3HE MET 49 3HE MET 49 1.212 -2.816 1.157 399 H ARG 50 H ARG 50 -0.773 -9.186 -2.168 400 HA ARG 50 HA ARG 50 0.419 -9.737 -4.719 401 1HB ARG 50 1HB ARG 50 -0.023 -11.352 -2.764 402 2HB ARG 50 2HB ARG 50 -1.646 -11.563 -3.395 403 1HG ARG 50 1HG ARG 50 0.830 -12.057 -5.118 404 2HG ARG 50 2HG ARG 50 0.280 -13.236 -3.953 405 1HD ARG 50 1HD ARG 50 -0.504 -13.993 -6.014 406 2HD ARG 50 2HD ARG 50 -1.926 -13.388 -5.146 407 HE ARG 50 HE ARG 50 -0.967 -11.261 -6.671 408 1HH1 ARG 50 2HH2 ARG 50 -2.042 -14.487 -7.661 409 2HH1 ARG 50 1HH2 ARG 50 -2.892 -13.909 -9.045 410 1HH2 ARG 50 2HH1 ARG 50 -2.145 -10.479 -8.324 411 2HH2 ARG 50 1HH1 ARG 50 -2.907 -11.509 -9.482 412 H SER 51 H SER 51 -2.997 -9.283 -3.755 413 HA SER 51 HA SER 51 -4.190 -10.015 -6.191 414 1HB SER 51 1HB SER 51 -5.236 -9.708 -3.910 415 2HB SER 51 2HB SER 51 -5.212 -7.958 -4.181 416 HG SER 51 HG SER 51 -6.730 -8.198 -5.727 417 H PHE 52 H PHE 52 -3.243 -6.715 -5.033 418 HA PHE 52 HA PHE 52 -3.575 -5.700 -7.825 419 1HB PHE 52 1HB PHE 52 -4.051 -4.131 -5.277 420 2HB PHE 52 2HB PHE 52 -4.599 -3.761 -6.904 421 HD1 PHE 52 HD1 PHE 52 -6.172 -5.808 -7.933 422 HD2 PHE 52 HD2 PHE 52 -5.710 -4.737 -3.776 423 HE1 PHE 52 HE1 PHE 52 -8.400 -6.770 -7.433 424 HE2 PHE 52 HE2 PHE 52 -7.945 -5.703 -3.287 425 HZ PHE 52 HZ PHE 52 -9.295 -6.708 -5.116 426 H LEU 53 H LEU 53 -1.079 -6.703 -7.063 427 HA LEU 53 HA LEU 53 0.595 -5.064 -5.679 428 1HB LEU 53 1HB LEU 53 0.976 -7.414 -6.784 429 2HB LEU 53 2HB LEU 53 1.548 -6.524 -8.164 430 HG LEU 53 HG LEU 53 3.490 -7.056 -7.026 431 1HD1 LEU 53 1HD1 LEU 53 3.520 -4.586 -7.434 432 2HD1 LEU 53 2HD1 LEU 53 2.935 -4.332 -5.763 433 3HD1 LEU 53 3HD1 LEU 53 4.492 -5.092 -6.062 434 1HD2 LEU 53 1HD2 LEU 53 2.414 -7.925 -4.980 435 2HD2 LEU 53 2HD2 LEU 53 3.847 -6.949 -4.621 436 3HD2 LEU 53 3HD2 LEU 53 2.230 -6.257 -4.379 437 H ARG 54 H ARG 54 0.662 -4.987 -9.325 438 HA ARG 54 HA ARG 54 2.200 -2.613 -9.224 439 1HB ARG 54 1HB ARG 54 1.961 -4.292 -11.173 440 2HB ARG 54 2HB ARG 54 0.538 -3.350 -11.646 441 1HG ARG 54 1HG ARG 54 2.607 -1.447 -11.112 442 2HG ARG 54 2HG ARG 54 3.408 -2.767 -11.916 443 1HD ARG 54 1HD ARG 54 0.961 -1.909 -13.325 444 2HD ARG 54 2HD ARG 54 2.085 -0.584 -13.047 445 HE ARG 54 HE ARG 54 2.354 -2.697 -14.934 446 1HH1 ARG 54 2HH2 ARG 54 4.531 -0.840 -12.705 447 2HH1 ARG 54 1HH2 ARG 54 5.752 -0.680 -13.862 448 1HH2 ARG 54 2HH1 ARG 54 4.139 -2.591 -16.403 449 2HH2 ARG 54 1HH1 ARG 54 5.583 -1.778 -15.941 450 H ARG 55 H ARG 55 -1.239 -2.883 -8.582 451 HA ARG 55 HA ARG 55 -1.893 -0.297 -9.639 452 1HB ARG 55 1HB ARG 55 -3.244 -2.231 -7.745 453 2HB ARG 55 2HB ARG 55 -3.781 -0.609 -7.834 454 1HG ARG 55 1HG ARG 55 -3.722 -2.465 -10.220 455 2HG ARG 55 2HG ARG 55 -5.083 -2.371 -9.123 456 1HD ARG 55 1HD ARG 55 -4.315 0.226 -10.384 457 2HD ARG 55 2HD ARG 55 -4.880 -1.011 -11.486 458 HE ARG 55 HE ARG 55 -6.833 -1.149 -9.671 459 1HH1 ARG 55 2HH2 ARG 55 -5.546 1.843 -11.234 460 2HH1 ARG 55 1HH2 ARG 55 -7.045 2.661 -10.913 461 1HH2 ARG 55 2HH1 ARG 55 -8.870 0.153 -9.517 462 2HH2 ARG 55 1HH1 ARG 55 -8.701 1.813 -9.889 463 H ILE 56 H ILE 56 -0.988 -1.772 -6.394 464 HA ILE 56 HA ILE 56 -1.078 0.726 -5.031 465 HB ILE 56 HB ILE 56 0.625 -1.670 -4.295 466 1HG1 ILE 56 1HG1 ILE 56 -1.503 -2.612 -4.320 467 2HG1 ILE 56 2HG1 ILE 56 -1.385 -2.052 -2.678 468 1HG2 ILE 56 3HG2 ILE 56 -0.430 0.686 -2.660 469 2HG2 ILE 56 1HG2 ILE 56 0.363 -0.752 -1.979 470 3HG2 ILE 56 2HG2 ILE 56 1.264 0.322 -3.039 471 1HD1 ILE 56 1HD1 ILE 56 -2.701 0.039 -3.413 472 2HD1 ILE 56 2HD1 ILE 56 -2.991 -0.795 -4.950 473 3HD1 ILE 56 3HD1 ILE 56 -3.580 -1.511 -3.455 474 H SER 57 H SER 57 1.445 -0.662 -7.129 475 HA SER 57 HA SER 57 3.433 1.314 -6.491 476 1HB SER 57 1HB SER 57 4.093 -0.694 -7.664 477 2HB SER 57 2HB SER 57 2.926 -0.382 -8.963 478 HG SER 57 HG SER 57 4.737 0.359 -9.765 479 H TRP 58 H TRP 58 1.184 1.166 -9.395 480 HA TRP 58 HA TRP 58 1.661 3.710 -10.386 481 1HB TRP 58 1HB TRP 58 0.177 2.848 -11.830 482 2HB TRP 58 2HB TRP 58 -0.550 1.810 -10.620 483 HD1 TRP 58 HD1 TRP 58 -0.895 5.509 -11.827 484 HE1 TRP 58 HE1 TRP 58 -3.219 6.337 -11.314 485 HE3 TRP 58 HE3 TRP 58 -2.623 1.477 -9.258 486 HZ2 TRP 58 HZ2 TRP 58 -5.570 5.367 -9.775 487 HZ3 TRP 58 HZ3 TRP 58 -4.738 1.467 -8.168 488 HH2 TRP 58 HH2 TRP 58 -6.237 3.346 -8.308 489 H ASP 59 H ASP 59 -0.599 2.873 -7.808 490 HA ASP 59 HA ASP 59 -1.782 5.379 -7.311 491 1HB ASP 59 1HB ASP 59 -0.994 3.000 -5.575 492 2HB ASP 59 2HB ASP 59 -1.710 4.409 -4.859 493 HD1 ASP 59 HD2 ASP 59 -4.428 3.760 -7.293 494 H ILE 60 H ILE 60 1.047 3.978 -5.620 495 HA ILE 60 HA ILE 60 1.611 6.395 -4.217 496 HB ILE 60 HB ILE 60 2.966 3.703 -4.354 497 1HG1 ILE 60 1HG1 ILE 60 1.164 5.193 -2.351 498 2HG1 ILE 60 2HG1 ILE 60 0.668 3.838 -3.356 499 1HG2 ILE 60 2HG2 ILE 60 4.624 5.433 -3.826 500 2HG2 ILE 60 3HG2 ILE 60 3.592 6.076 -2.533 501 3HG2 ILE 60 1HG2 ILE 60 4.278 4.436 -2.412 502 1HD1 ILE 60 3HD1 ILE 60 2.271 2.381 -2.144 503 2HD1 ILE 60 1HD1 ILE 60 2.524 3.737 -0.996 504 3HD1 ILE 60 2HD1 ILE 60 0.914 3.024 -1.196 505 H LEU 61 H LEU 61 3.019 4.976 -7.148 506 HA LEU 61 HA LEU 61 5.059 6.859 -7.634 507 1HB LEU 61 1HB LEU 61 3.184 5.473 -9.595 508 2HB LEU 61 2HB LEU 61 4.579 6.414 -10.083 509 HG LEU 61 HG LEU 61 4.776 3.888 -8.392 510 1HD1 LEU 61 1HD1 LEU 61 5.157 4.319 -11.392 511 2HD1 LEU 61 2HD1 LEU 61 5.527 2.823 -10.508 512 3HD1 LEU 61 3HD1 LEU 61 3.861 3.377 -10.617 513 1HD2 LEU 61 1HD2 LEU 61 6.912 5.466 -9.877 514 2HD2 LEU 61 2HD2 LEU 61 6.753 5.287 -8.113 515 3HD2 LEU 61 3HD2 LEU 61 7.108 3.875 -9.118 516 H THR 62 H THR 62 1.565 7.039 -8.488 517 HA THR 62 HA THR 62 1.858 9.786 -9.479 518 HB THR 62 HB THR 62 -0.616 9.667 -9.787 519 HG1 THR 62 HG1 THR 62 -0.285 6.951 -9.027 520 1HG2 THR 62 1HG2 THR 62 0.948 9.066 -11.591 521 2HG2 THR 62 2HG2 THR 62 0.947 7.376 -11.049 522 3HG2 THR 62 3HG2 THR 62 -0.546 8.120 -11.670 523 H GLY 63 H GLY 63 2.305 8.853 -6.527 524 1HA GLY 63 1HA GLY 63 1.854 9.436 -4.404 525 2HA GLY 63 2HA GLY 63 1.947 11.073 -5.071 526 H LYS 64 H LYS 64 -0.568 8.471 -5.410 527 HA LYS 64 HA LYS 64 -2.610 10.562 -4.965 528 1HB LYS 64 1HB LYS 64 -2.797 8.812 -6.739 529 2HB LYS 64 2HB LYS 64 -2.783 7.542 -5.511 530 1HG LYS 64 1HG LYS 64 -4.910 8.441 -4.586 531 2HG LYS 64 2HG LYS 64 -4.936 9.681 -5.845 532 1HD LYS 64 1HD LYS 64 -5.080 6.660 -6.282 533 2HD LYS 64 2HD LYS 64 -6.442 7.770 -6.301 534 1HE LYS 64 1HE LYS 64 -4.638 8.881 -8.170 535 2HE LYS 64 2HE LYS 64 -4.470 7.145 -8.414 536 1HZ LYS 64 1HZ LYS 64 -7.070 8.590 -8.471 537 2HZ LYS 64 2HZ LYS 64 -6.238 8.101 -9.795 538 3HZ LYS 64 3HZ LYS 64 -6.876 7.007 -8.790 539 H LYS 65 H LYS 65 -3.927 10.561 -3.134 540 HA LYS 65 HA LYS 65 -2.538 9.566 -0.787 541 1HB LYS 65 1HB LYS 65 -4.844 11.444 -1.197 542 2HB LYS 65 2HB LYS 65 -4.568 10.784 0.406 543 1HG LYS 65 1HG LYS 65 -3.411 12.975 0.038 544 2HG LYS 65 2HG LYS 65 -2.344 11.665 0.530 545 1HD LYS 65 1HD LYS 65 -1.581 11.404 -1.827 546 2HD LYS 65 2HD LYS 65 -2.585 12.801 -2.287 547 1HE LYS 65 1HE LYS 65 -1.155 14.184 -0.743 548 2HE LYS 65 2HE LYS 65 -0.263 12.710 -0.311 549 1HZ LYS 65 1HZ LYS 65 0.190 12.507 -2.778 550 2HZ LYS 65 2HZ LYS 65 -0.310 14.041 -2.945 551 3HZ LYS 65 3HZ LYS 65 0.995 13.717 -1.991 552 HA PRO 66 HA PRO 66 -4.148 5.776 0.171 553 1HB PRO 66 1HB PRO 66 -4.989 5.948 2.857 554 2HB PRO 66 2HB PRO 66 -3.322 5.698 2.288 555 1HG PRO 66 1HG PRO 66 -4.687 8.314 2.985 556 2HG PRO 66 2HG PRO 66 -3.049 7.748 3.460 557 1HD PRO 66 1HD PRO 66 -3.224 9.434 1.471 558 2HD PRO 66 2HD PRO 66 -2.233 7.964 1.225 559 H GLN 67 H GLN 67 -6.465 8.173 1.566 560 HA GLN 67 HA GLN 67 -8.743 6.477 1.497 561 1HB GLN 67 1HB GLN 67 -8.813 8.453 2.778 562 2HB GLN 67 2HB GLN 67 -8.344 9.489 1.445 563 1HG GLN 67 1HG GLN 67 -10.986 7.962 1.467 564 2HG GLN 67 2HG GLN 67 -10.796 9.541 2.236 565 1HE2 GLN 67 2HE2 GLN 67 -12.030 10.053 -1.290 566 2HE2 GLN 67 1HE2 GLN 67 -12.644 9.044 0.003 567 H ALA 68 H ALA 68 -7.249 8.510 -1.030 568 HA ALA 68 HA ALA 68 -9.445 8.048 -2.882 569 1HB ALA 68 1HB ALA 68 -6.674 9.254 -3.300 570 2HB ALA 68 2HB ALA 68 -8.003 9.261 -4.482 571 3HB ALA 68 3HB ALA 68 -8.176 10.139 -2.951 572 H ILE 69 H ILE 69 -6.221 6.597 -2.279 573 HA ILE 69 HA ILE 69 -6.141 4.934 -4.595 574 HB ILE 69 HB ILE 69 -5.022 4.585 -1.753 575 1HG1 ILE 69 1HG1 ILE 69 -3.598 5.234 -4.344 576 2HG1 ILE 69 2HG1 ILE 69 -4.098 6.439 -3.236 577 1HG2 ILE 69 2HG2 ILE 69 -4.787 2.767 -4.152 578 2HG2 ILE 69 3HG2 ILE 69 -3.559 2.744 -2.882 579 3HG2 ILE 69 1HG2 ILE 69 -5.223 2.351 -2.493 580 1HD1 ILE 69 3HD1 ILE 69 -2.188 4.238 -2.310 581 2HD1 ILE 69 1HD1 ILE 69 -1.644 5.730 -3.047 582 3HD1 ILE 69 2HD1 ILE 69 -2.576 5.803 -1.559 583 H CYS 70 H CYS 70 -7.357 4.195 -1.319 584 HA CYS 70 HA CYS 70 -8.450 1.625 -1.892 585 1HB CYS 70 1HB CYS 70 -9.342 3.720 0.149 586 2HB CYS 70 2HB CYS 70 -9.645 1.978 0.238 587 H VAL 71 H VAL 71 -9.941 4.897 -2.370 588 HA VAL 71 HA VAL 71 -12.525 3.726 -3.048 589 HB VAL 71 HB VAL 71 -11.197 6.423 -3.449 590 1HG1 VAL 71 2HG1 VAL 71 -12.716 6.111 -5.398 591 2HG1 VAL 71 3HG1 VAL 71 -14.045 5.734 -4.298 592 3HG1 VAL 71 1HG1 VAL 71 -13.305 7.343 -4.283 593 1HG2 VAL 71 1HG2 VAL 71 -12.056 5.776 -1.159 594 2HG2 VAL 71 2HG2 VAL 71 -12.881 7.175 -1.856 595 3HG2 VAL 71 3HG2 VAL 71 -13.678 5.593 -1.869 596 H ASP 72 H ASP 72 -9.682 4.904 -5.064 597 HA ASP 72 HA ASP 72 -10.784 4.369 -7.540 598 1HB ASP 72 1HB ASP 72 -8.643 5.601 -6.898 599 2HB ASP 72 2HB ASP 72 -7.849 4.048 -6.792 600 H ILE 73 H ILE 73 -8.782 2.163 -5.588 601 HA ILE 73 HA ILE 73 -9.061 0.040 -7.600 602 HB ILE 73 HB ILE 73 -7.553 -1.239 -6.306 603 1HG1 ILE 73 1HG1 ILE 73 -8.155 0.761 -4.093 604 2HG1 ILE 73 2HG1 ILE 73 -8.259 -0.982 -4.092 605 1HG2 ILE 73 1HG2 ILE 73 -6.810 0.732 -7.704 606 2HG2 ILE 73 2HG2 ILE 73 -6.573 1.629 -6.204 607 3HG2 ILE 73 3HG2 ILE 73 -5.645 0.146 -6.511 608 1HD1 ILE 73 1HD1 ILE 73 -5.801 -1.133 -4.310 609 2HD1 ILE 73 2HD1 ILE 73 -5.702 0.642 -4.229 610 3HD1 ILE 73 3HD1 ILE 73 -6.303 -0.248 -2.831 611 H LYS 74 H LYS 74 -11.119 1.147 -5.336 612 HA LYS 74 HA LYS 74 -13.071 0.648 -4.672 613 1HB LYS 74 1HB LYS 74 -13.285 0.006 -7.064 614 2HB LYS 74 2HB LYS 74 -13.067 -1.687 -6.576 615 1HG LYS 74 1HG LYS 74 -14.941 -1.377 -4.975 616 2HG LYS 74 2HG LYS 74 -15.260 0.208 -5.599 617 1HD LYS 74 1HD LYS 74 -15.141 -1.851 -7.668 618 2HD LYS 74 2HD LYS 74 -16.474 -2.047 -6.525 619 1HE LYS 74 1HE LYS 74 -17.414 -0.825 -8.279 620 2HE LYS 74 2HE LYS 74 -17.070 0.400 -7.052 621 1HZ LYS 74 3HZ LYS 74 -15.332 -0.136 -9.399 622 2HZ LYS 74 1HZ LYS 74 -16.385 1.136 -9.228 623 3HZ LYS 74 2HZ LYS 74 -15.119 1.026 -8.260 624 H ILE 75 H ILE 75 -11.663 0.299 -2.866 625 HA ILE 75 HA ILE 75 -12.337 -2.253 -1.460 626 HB ILE 75 HB ILE 75 -9.869 -0.471 -1.336 627 1HG1 ILE 75 1HG1 ILE 75 -10.213 -3.429 -2.067 628 2HG1 ILE 75 2HG1 ILE 75 -9.936 -2.119 -3.207 629 1HG2 ILE 75 1HG2 ILE 75 -10.392 -1.185 0.964 630 2HG2 ILE 75 2HG2 ILE 75 -10.453 -2.890 0.395 631 3HG2 ILE 75 3HG2 ILE 75 -8.945 -1.966 0.381 632 1HD1 ILE 75 2HD1 ILE 75 -7.796 -1.609 -1.824 633 2HD1 ILE 75 3HD1 ILE 75 -8.020 -3.239 -1.171 634 3HD1 ILE 75 1HD1 ILE 75 -7.797 -3.016 -2.916 635 H CYS 76 H CYS 76 -12.588 1.253 -1.515 636 HA CYS 76 HA CYS 76 -13.009 1.422 1.340 637 1HB CYS 76 1HB CYS 76 -11.956 3.239 0.013 638 2HB CYS 76 2HB CYS 76 -13.497 3.535 -0.778 639 H LYS 77 H LYS 77 -15.263 2.938 -0.958 640 HA LYS 77 HA LYS 77 -17.431 1.239 -0.744 641 1HB LYS 77 1HB LYS 77 -17.813 1.880 1.526 642 2HB LYS 77 2HB LYS 77 -17.500 3.578 1.195 643 1HG LYS 77 1HG LYS 77 -19.914 2.856 1.655 644 2HG LYS 77 2HG LYS 77 -19.614 3.957 0.355 645 1HD LYS 77 1HD LYS 77 -19.666 1.545 -1.049 646 2HD LYS 77 2HD LYS 77 -20.737 1.208 0.302 647 1HE LYS 77 1HE LYS 77 -22.117 2.069 -1.435 648 2HE LYS 77 2HE LYS 77 -21.956 3.392 -0.267 649 1HZ LYS 77 1HZ LYS 77 -20.110 4.216 -1.827 650 2HZ LYS 77 2HZ LYS 77 -20.543 3.096 -2.871 651 3HZ LYS 77 3HZ LYS 77 -21.612 4.240 -2.515 652 H GLU 78 H GLU 78 -16.611 1.780 -2.997 653 HA GLU 78 HA GLU 78 -17.292 4.407 -4.053 654 1HB GLU 78 1HB GLU 78 -16.953 1.701 -5.428 655 2HB GLU 78 2HB GLU 78 -17.113 3.271 -6.205 656 1HG GLU 78 1HG GLU 78 -14.957 3.745 -4.577 657 2HG GLU 78 2HG GLU 78 -14.748 2.046 -4.868 No H/Q in entry = 657 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -17.139 0.502 4.834 2 2H GLY 1 2H GLY 1 -16.023 0.584 3.623 3 3H GLY 1 3H GLY 1 -17.489 -0.032 3.305 4 1HA GLY 1 1HA GLY 1 -17.037 -1.956 4.732 5 2HA GLY 1 2HA GLY 1 -15.815 -1.754 3.466 6 H TYR 2 H TYR 2 -15.642 -2.969 6.325 7 HA TYR 2 HA TYR 2 -13.835 -1.580 7.953 8 1HB TYR 2 1HB TYR 2 -14.706 -3.724 8.608 9 2HB TYR 2 2HB TYR 2 -14.080 -4.507 7.165 10 HD1 TYR 2 HD2 TYR 2 -13.027 -2.927 10.413 11 HD2 TYR 2 HD1 TYR 2 -11.882 -5.463 7.105 12 HE1 TYR 2 HE2 TYR 2 -10.995 -3.594 11.627 13 HE2 TYR 2 HE1 TYR 2 -9.837 -6.125 8.325 14 HH TYR 2 HH TYR 2 -9.111 -4.954 11.620 15 H PHE 3 H PHE 3 -13.260 -3.283 4.896 16 HA PHE 3 HA PHE 3 -10.515 -3.224 4.655 17 1HB PHE 3 1HB PHE 3 -12.734 -2.691 2.665 18 2HB PHE 3 2HB PHE 3 -11.035 -2.641 2.208 19 HD1 PHE 3 HD2 PHE 3 -9.576 -4.547 2.335 20 HD2 PHE 3 HD1 PHE 3 -13.867 -4.840 2.667 21 HE1 PHE 3 HE2 PHE 3 -9.472 -6.887 1.519 22 HE2 PHE 3 HE1 PHE 3 -13.761 -7.176 1.844 23 HZ PHE 3 HZ PHE 3 -11.582 -8.175 1.239 24 H CYS 4 H CYS 4 -12.739 -0.369 4.281 25 HA CYS 4 HA CYS 4 -10.889 1.142 2.812 26 1HB CYS 4 1HB CYS 4 -13.357 1.544 3.095 27 2HB CYS 4 2HB CYS 4 -13.059 2.255 4.648 28 H GLU 5 H GLU 5 -11.522 1.404 6.401 29 HA GLU 5 HA GLU 5 -9.417 3.309 6.715 30 1HB GLU 5 1HB GLU 5 -11.341 2.830 8.338 31 2HB GLU 5 2HB GLU 5 -10.367 1.495 8.953 32 1HG GLU 5 1HG GLU 5 -9.547 4.443 8.808 33 2HG GLU 5 2HG GLU 5 -10.130 3.626 10.251 34 H SER 6 H SER 6 -9.547 -0.245 7.215 35 HA SER 6 HA SER 6 -6.944 -0.771 7.953 36 1HB SER 6 1HB SER 6 -8.601 -2.392 5.967 37 2HB SER 6 2HB SER 6 -7.285 -2.982 6.991 38 HG SER 6 HG SER 6 -9.917 -2.228 7.699 39 H CYS 7 H CYS 7 -8.130 -0.485 4.579 40 HA CYS 7 HA CYS 7 -5.689 -0.825 3.183 41 1HB CYS 7 1HB CYS 7 -7.751 -1.126 2.081 42 2HB CYS 7 2HB CYS 7 -8.344 0.467 2.545 43 H ARG 8 H ARG 8 -7.421 2.155 4.299 44 HA ARG 8 HA ARG 8 -5.523 4.015 3.371 45 1HB ARG 8 1HB ARG 8 -7.605 4.828 4.094 46 2HB ARG 8 2HB ARG 8 -7.525 4.060 5.661 47 1HG ARG 8 1HG ARG 8 -5.419 6.123 5.058 48 2HG ARG 8 2HG ARG 8 -7.074 6.688 5.291 49 1HD ARG 8 1HD ARG 8 -7.220 5.821 7.492 50 2HD ARG 8 2HD ARG 8 -5.799 4.799 7.303 51 HE ARG 8 HE ARG 8 -4.835 7.369 6.919 52 1HH1 ARG 8 2HH2 ARG 8 -6.451 5.615 9.607 53 2HH1 ARG 8 1HH2 ARG 8 -5.855 6.718 10.794 54 1HH2 ARG 8 2HH1 ARG 8 -3.805 8.521 8.470 55 2HH2 ARG 8 1HH1 ARG 8 -4.238 8.437 10.144 56 H LYS 9 H LYS 9 -5.618 2.279 6.506 57 HA LYS 9 HA LYS 9 -3.249 3.473 7.540 58 1HB LYS 9 1HB LYS 9 -5.130 2.330 8.744 59 2HB LYS 9 2HB LYS 9 -4.529 0.774 8.190 60 1HG LYS 9 1HG LYS 9 -2.530 0.953 9.478 61 2HG LYS 9 2HG LYS 9 -2.783 2.679 9.806 62 1HD LYS 9 1HD LYS 9 -4.758 0.539 10.705 63 2HD LYS 9 2HD LYS 9 -3.386 1.037 11.714 64 1HE LYS 9 1HE LYS 9 -4.219 3.170 12.100 65 2HE LYS 9 2HE LYS 9 -5.114 3.211 10.570 66 1HZ LYS 9 1HZ LYS 9 -6.013 1.578 12.849 67 2HZ LYS 9 2HZ LYS 9 -6.597 3.074 12.411 68 3HZ LYS 9 3HZ LYS 9 -6.760 1.860 11.388 69 H ILE 10 H ILE 10 -3.786 0.513 5.665 70 HA ILE 10 HA ILE 10 -1.158 -0.543 5.675 71 HB ILE 10 HB ILE 10 -3.599 -0.813 3.912 72 1HG1 ILE 10 1HG1 ILE 10 -2.076 -2.866 5.545 73 2HG1 ILE 10 2HG1 ILE 10 -3.287 -1.830 6.252 74 1HG2 ILE 10 2HG2 ILE 10 -0.884 -2.008 3.369 75 2HG2 ILE 10 3HG2 ILE 10 -2.378 -2.771 2.780 76 3HG2 ILE 10 1HG2 ILE 10 -1.959 -1.146 2.252 77 1HD1 ILE 10 1HD1 ILE 10 -3.866 -3.769 3.971 78 2HD1 ILE 10 2HD1 ILE 10 -4.259 -4.025 5.665 79 3HD1 ILE 10 3HD1 ILE 10 -5.038 -2.717 4.768 80 H ILE 11 H ILE 11 -2.750 1.637 3.239 81 HA ILE 11 HA ILE 11 -0.315 2.084 1.797 82 HB ILE 11 HB ILE 11 -2.843 3.758 2.047 83 1HG1 ILE 11 1HG1 ILE 11 -3.413 1.792 0.818 84 2HG1 ILE 11 2HG1 ILE 11 -3.223 3.084 -0.349 85 1HG2 ILE 11 3HG2 ILE 11 -0.445 4.194 0.222 86 2HG2 ILE 11 1HG2 ILE 11 -2.006 5.007 0.037 87 3HG2 ILE 11 2HG2 ILE 11 -1.032 5.295 1.466 88 1HD1 ILE 11 2HD1 ILE 11 -0.982 2.200 -0.954 89 2HD1 ILE 11 3HD1 ILE 11 -1.224 0.856 0.193 90 3HD1 ILE 11 1HD1 ILE 11 -2.296 1.037 -1.201 91 H GLN 12 H GLN 12 -1.810 3.923 4.545 92 HA GLN 12 HA GLN 12 0.016 6.011 4.482 93 1HB GLN 12 1HB GLN 12 -1.436 4.778 6.841 94 2HB GLN 12 2HB GLN 12 -0.479 6.252 6.974 95 1HG GLN 12 1HG GLN 12 -2.382 6.301 4.696 96 2HG GLN 12 2HG GLN 12 -3.146 6.108 6.266 97 1HE2 GLN 12 2HE2 GLN 12 -1.075 9.625 5.542 98 2HE2 GLN 12 1HE2 GLN 12 -0.718 8.264 4.522 99 H LYS 13 H LYS 13 0.509 2.893 6.372 100 HA LYS 13 HA LYS 13 3.029 4.003 7.194 101 1HB LYS 13 1HB LYS 13 1.784 2.260 8.509 102 2HB LYS 13 2HB LYS 13 2.384 1.052 7.370 103 1HG LYS 13 1HG LYS 13 3.688 1.327 9.548 104 2HG LYS 13 2HG LYS 13 4.662 1.401 8.080 105 1HD LYS 13 1HD LYS 13 4.909 3.763 8.223 106 2HD LYS 13 2HD LYS 13 3.666 3.922 9.473 107 1HE LYS 13 1HE LYS 13 5.121 2.943 11.127 108 2HE LYS 13 2HE LYS 13 6.310 2.477 9.883 109 1HZ LYS 13 1HZ LYS 13 5.605 5.325 10.297 110 2HZ LYS 13 2HZ LYS 13 6.886 4.612 11.096 111 3HZ LYS 13 3HZ LYS 13 6.761 4.769 9.455 112 H LEU 14 H LEU 14 2.080 2.347 4.276 113 HA LEU 14 HA LEU 14 4.777 1.613 3.456 114 1HB LEU 14 1HB LEU 14 2.888 0.537 2.402 115 2HB LEU 14 2HB LEU 14 2.162 2.065 1.963 116 HG LEU 14 HG LEU 14 3.940 2.532 0.339 117 1HD1 LEU 14 3HD1 LEU 14 5.086 -0.082 1.387 118 2HD1 LEU 14 1HD1 LEU 14 5.507 0.571 -0.219 119 3HD1 LEU 14 2HD1 LEU 14 5.893 1.481 1.239 120 1HD2 LEU 14 3HD2 LEU 14 2.624 -0.209 0.139 121 2HD2 LEU 14 1HD2 LEU 14 1.905 1.345 -0.304 122 3HD2 LEU 14 2HD2 LEU 14 3.279 0.737 -1.228 123 H GLU 15 H GLU 15 2.577 4.322 2.827 124 HA GLU 15 HA GLU 15 4.166 5.884 1.142 125 1HB GLU 15 1HB GLU 15 1.657 5.891 1.569 126 2HB GLU 15 2HB GLU 15 1.957 6.520 3.181 127 1HG GLU 15 1HG GLU 15 2.807 8.631 2.091 128 2HG GLU 15 2HG GLU 15 2.297 7.946 0.541 129 H ASP 16 H ASP 16 3.698 6.071 4.664 130 HA ASP 16 HA ASP 16 5.549 8.056 5.366 131 1HB ASP 16 1HB ASP 16 3.981 7.181 6.961 132 2HB ASP 16 2HB ASP 16 4.427 5.524 6.599 133 H MET 17 H MET 17 6.178 4.519 5.027 134 HA MET 17 HA MET 17 8.941 4.945 5.784 135 1HB MET 17 1HB MET 17 7.513 2.549 4.591 136 2HB MET 17 2HB MET 17 9.226 2.544 5.041 137 1HG MET 17 1HG MET 17 8.591 3.174 7.375 138 2HG MET 17 2HG MET 17 6.906 3.008 6.937 139 1HE MET 17 3HE MET 17 6.444 0.663 5.321 140 2HE MET 17 1HE MET 17 8.072 0.154 4.852 141 3HE MET 17 2HE MET 17 7.055 -0.935 5.823 142 H VAL 18 H VAL 18 7.327 4.356 2.559 143 HA VAL 18 HA VAL 18 9.929 4.114 1.292 144 HB VAL 18 HB VAL 18 7.700 3.099 0.535 145 1HG1 VAL 18 3HG1 VAL 18 6.365 5.173 0.444 146 2HG1 VAL 18 1HG1 VAL 18 7.363 5.719 -0.908 147 3HG1 VAL 18 2HG1 VAL 18 6.386 4.247 -1.081 148 1HG2 VAL 18 1HG2 VAL 18 9.740 4.284 -1.322 149 2HG2 VAL 18 2HG2 VAL 18 9.640 2.667 -0.614 150 3HG2 VAL 18 3HG2 VAL 18 8.469 3.140 -1.845 151 H GLY 19 H GLY 19 7.688 6.705 2.120 152 1HA GLY 19 1HA GLY 19 8.085 8.880 2.405 153 2HA GLY 19 2HA GLY 19 9.721 8.707 1.737 154 HA PRO 20 HA PRO 20 6.950 10.724 -1.459 155 1HB PRO 20 1HB PRO 20 8.272 13.072 -1.834 156 2HB PRO 20 2HB PRO 20 7.179 12.834 -0.432 157 1HG PRO 20 1HG PRO 20 10.201 12.536 -0.516 158 2HG PRO 20 2HG PRO 20 9.212 13.444 0.675 159 1HD PRO 20 1HD PRO 20 10.094 10.866 1.066 160 2HD PRO 20 2HD PRO 20 8.525 11.470 1.739 161 H GLN 21 H GLN 21 7.488 11.179 -3.491 162 HA GLN 21 HA GLN 21 8.170 10.275 -5.551 163 1HB GLN 21 1HB GLN 21 10.699 11.736 -4.718 164 2HB GLN 21 2HB GLN 21 10.190 11.349 -6.371 165 1HG GLN 21 1HG GLN 21 8.120 12.751 -5.985 166 2HG GLN 21 2HG GLN 21 8.815 13.271 -4.444 167 1HE2 GLN 21 2HE2 GLN 21 11.584 14.910 -6.463 168 2HE2 GLN 21 1HE2 GLN 21 11.630 13.515 -5.391 169 HA PRO 22 HA PRO 22 10.780 6.755 -3.920 170 1HB PRO 22 1HB PRO 22 9.053 4.750 -3.681 171 2HB PRO 22 2HB PRO 22 9.061 6.095 -2.496 172 1HG PRO 22 1HG PRO 22 7.278 5.821 -4.940 173 2HG PRO 22 2HG PRO 22 6.781 6.031 -3.227 174 1HD PRO 22 1HD PRO 22 7.094 8.181 -4.925 175 2HD PRO 22 2HD PRO 22 7.501 8.275 -3.182 176 H ASN 23 H ASN 23 10.566 4.323 -5.131 177 HA ASN 23 HA ASN 23 10.036 4.712 -8.017 178 1HB ASN 23 1HB ASN 23 12.152 3.655 -8.574 179 2HB ASN 23 2HB ASN 23 12.457 5.087 -7.590 180 1HD2 ASN 23 2HD2 ASN 23 13.864 1.575 -6.235 181 2HD2 ASN 23 1HD2 ASN 23 13.380 1.795 -7.904 182 H GLU 24 H GLU 24 9.565 2.864 -9.065 183 HA GLU 24 HA GLU 24 7.668 1.235 -8.205 184 1HB GLU 24 1HB GLU 24 8.418 1.697 -10.518 185 2HB GLU 24 2HB GLU 24 9.844 0.714 -10.259 186 1HG GLU 24 1HG GLU 24 8.449 -0.638 -11.534 187 2HG GLU 24 2HG GLU 24 8.247 -1.290 -9.917 188 H ASP 25 H ASP 25 11.142 0.218 -7.962 189 HA ASP 25 HA ASP 25 10.369 -2.446 -7.068 190 1HB ASP 25 1HB ASP 25 12.562 -2.198 -8.075 191 2HB ASP 25 2HB ASP 25 13.045 -1.028 -6.828 192 H THR 26 H THR 26 11.795 0.429 -5.385 193 HA THR 26 HA THR 26 11.778 -0.635 -2.870 194 HB THR 26 HB THR 26 11.233 2.301 -3.529 195 HG1 THR 26 HG1 THR 26 13.209 2.417 -4.250 196 1HG2 THR 26 3HG2 THR 26 11.386 1.522 -1.063 197 2HG2 THR 26 1HG2 THR 26 13.051 1.058 -1.399 198 3HG2 THR 26 2HG2 THR 26 12.560 2.761 -1.548 199 H VAL 27 H VAL 27 9.088 1.004 -4.554 200 HA VAL 27 HA VAL 27 7.333 0.936 -2.251 201 HB VAL 27 HB VAL 27 6.460 0.902 -5.168 202 1HG1 VAL 27 1HG1 VAL 27 5.117 1.723 -2.544 203 2HG1 VAL 27 2HG1 VAL 27 4.452 2.064 -4.144 204 3HG1 VAL 27 3HG1 VAL 27 4.635 0.385 -3.615 205 1HG2 VAL 27 2HG2 VAL 27 7.933 2.899 -4.694 206 2HG2 VAL 27 3HG2 VAL 27 6.268 3.315 -5.076 207 3HG2 VAL 27 1HG2 VAL 27 6.822 3.355 -3.391 208 H THR 28 H THR 28 7.868 -1.383 -4.984 209 HA THR 28 HA THR 28 5.866 -3.244 -4.286 210 HB THR 28 HB THR 28 8.499 -3.476 -5.802 211 HG1 THR 28 HG1 THR 28 7.229 -2.221 -6.937 212 1HG2 THR 28 2HG2 THR 28 7.746 -5.753 -5.116 213 2HG2 THR 28 3HG2 THR 28 6.181 -5.419 -5.908 214 3HG2 THR 28 1HG2 THR 28 7.675 -5.462 -6.857 215 H GLN 29 H GLN 29 9.370 -3.188 -3.356 216 HA GLN 29 HA GLN 29 9.090 -5.517 -1.672 217 1HB GLN 29 1HB GLN 29 11.301 -4.941 -0.788 218 2HB GLN 29 2HB GLN 29 11.243 -5.106 -2.541 219 1HG GLN 29 1HG GLN 29 11.612 -2.845 -2.918 220 2HG GLN 29 2HG GLN 29 11.207 -2.372 -1.258 221 1HE2 GLN 29 2HE2 GLN 29 15.028 -3.247 -2.141 222 2HE2 GLN 29 1HE2 GLN 29 13.806 -3.074 -3.388 223 H ALA 30 H ALA 30 9.235 -1.975 -0.890 224 HA ALA 30 HA ALA 30 9.064 -2.345 1.894 225 1HB ALA 30 2HB ALA 30 9.760 -0.207 0.860 226 2HB ALA 30 3HB ALA 30 8.093 0.053 0.286 227 3HB ALA 30 1HB ALA 30 8.440 0.021 2.022 228 H ALA 31 H ALA 31 6.485 -2.279 -0.555 229 HA ALA 31 HA ALA 31 4.304 -2.139 1.368 230 1HB ALA 31 3HB ALA 31 4.122 -1.441 -1.062 231 2HB ALA 31 1HB ALA 31 4.410 -3.104 -1.563 232 3HB ALA 31 2HB ALA 31 2.941 -2.705 -0.662 233 H SER 32 H SER 32 5.781 -4.884 -0.554 234 HA SER 32 HA SER 32 3.902 -6.794 0.601 235 1HB SER 32 1HB SER 32 5.638 -8.487 -0.168 236 2HB SER 32 2HB SER 32 5.006 -7.423 -1.435 237 HG SER 32 HG SER 32 6.902 -6.266 -1.433 238 H GLN 33 H GLN 33 6.951 -5.498 1.754 239 HA GLN 33 HA GLN 33 6.589 -7.033 4.207 240 1HB GLN 33 1HB GLN 33 8.849 -5.277 3.288 241 2HB GLN 33 2HB GLN 33 8.761 -6.027 4.890 242 1HG GLN 33 1HG GLN 33 8.690 -7.549 2.231 243 2HG GLN 33 2HG GLN 33 10.078 -7.418 3.298 244 1HE2 GLN 33 2HE2 GLN 33 8.715 -9.622 5.874 245 2HE2 GLN 33 1HE2 GLN 33 9.906 -8.408 5.502 246 H VAL 34 H VAL 34 5.556 -3.824 3.183 247 HA VAL 34 HA VAL 34 5.341 -2.613 5.692 248 HB VAL 34 HB VAL 34 4.522 -1.650 3.417 249 1HG1 VAL 34 2HG1 VAL 34 2.452 -3.302 3.142 250 2HG1 VAL 34 3HG1 VAL 34 1.723 -2.234 4.295 251 3HG1 VAL 34 1HG1 VAL 34 2.315 -1.595 2.761 252 1HG2 VAL 34 2HG2 VAL 34 3.168 -1.118 6.017 253 2HG2 VAL 34 3HG2 VAL 34 4.587 -0.314 5.271 254 3HG2 VAL 34 1HG2 VAL 34 2.983 -0.123 4.559 255 H CYS 35 H CYS 35 3.334 -4.949 4.012 256 HA CYS 35 HA CYS 35 1.307 -5.332 5.961 257 1HB CYS 35 1HB CYS 35 2.471 -7.338 3.951 258 2HB CYS 35 2HB CYS 35 0.868 -7.364 4.697 259 H ASP 36 H ASP 36 4.287 -7.116 5.163 260 HA ASP 36 HA ASP 36 4.026 -9.132 7.083 261 1HB ASP 36 1HB ASP 36 5.749 -8.834 5.234 262 2HB ASP 36 2HB ASP 36 6.699 -7.922 6.408 263 H LYS 37 H LYS 37 5.415 -5.949 7.440 264 HA LYS 37 HA LYS 37 6.328 -6.141 10.136 265 1HB LYS 37 1HB LYS 37 7.176 -4.692 8.238 266 2HB LYS 37 2HB LYS 37 5.746 -3.671 8.425 267 1HG LYS 37 1HG LYS 37 6.480 -3.142 10.751 268 2HG LYS 37 2HG LYS 37 7.906 -4.165 10.526 269 1HD LYS 37 1HD LYS 37 7.236 -1.655 8.919 270 2HD LYS 37 2HD LYS 37 8.401 -1.755 10.247 271 1HE LYS 37 1HE LYS 37 9.710 -3.450 8.901 272 2HE LYS 37 2HE LYS 37 8.592 -3.185 7.557 273 1HZ LYS 37 1HZ LYS 37 9.296 -0.845 7.544 274 2HZ LYS 37 2HZ LYS 37 10.379 -1.141 8.741 275 3HZ LYS 37 3HZ LYS 37 10.559 -1.857 7.280 276 H LEU 38 H LEU 38 3.312 -4.919 8.657 277 HA LEU 38 HA LEU 38 2.256 -3.787 11.131 278 1HB LEU 38 1HB LEU 38 1.028 -4.562 8.452 279 2HB LEU 38 2HB LEU 38 0.058 -3.929 9.769 280 HG LEU 38 HG LEU 38 2.410 -2.352 8.657 281 1HD1 LEU 38 3HD1 LEU 38 -0.505 -2.253 7.746 282 2HD1 LEU 38 1HD1 LEU 38 0.788 -1.140 7.241 283 3HD1 LEU 38 2HD1 LEU 38 0.872 -2.844 6.788 284 1HD2 LEU 38 3HD2 LEU 38 -0.102 -1.480 10.144 285 2HD2 LEU 38 1HD2 LEU 38 1.540 -1.578 10.829 286 3HD2 LEU 38 2HD2 LEU 38 1.186 -0.420 9.542 287 H LYS 39 H LYS 39 2.332 -5.392 12.731 288 HA LYS 39 HA LYS 39 1.605 -8.103 12.110 289 1HB LYS 39 1HB LYS 39 1.941 -8.562 14.498 290 2HB LYS 39 2HB LYS 39 3.217 -7.534 13.858 291 1HG LYS 39 1HG LYS 39 1.774 -5.550 14.832 292 2HG LYS 39 2HG LYS 39 0.983 -6.801 15.789 293 1HD LYS 39 1HD LYS 39 3.994 -6.299 15.695 294 2HD LYS 39 2HD LYS 39 2.941 -5.557 16.880 295 1HE LYS 39 1HE LYS 39 3.081 -8.585 16.600 296 2HE LYS 39 2HE LYS 39 4.309 -7.693 17.498 297 1HZ LYS 39 3HZ LYS 39 1.425 -7.625 18.139 298 2HZ LYS 39 1HZ LYS 39 2.579 -8.465 18.956 299 3HZ LYS 39 2HZ LYS 39 2.618 -6.832 18.949 300 H ILE 40 H ILE 40 -0.195 -9.310 13.065 301 HA ILE 40 HA ILE 40 -2.364 -9.802 13.387 302 HB ILE 40 HB ILE 40 -2.818 -6.901 14.210 303 1HG1 ILE 40 1HG1 ILE 40 -1.372 -8.006 15.810 304 2HG1 ILE 40 2HG1 ILE 40 -2.963 -7.718 16.489 305 1HG2 ILE 40 2HG2 ILE 40 -4.751 -9.236 14.276 306 2HG2 ILE 40 3HG2 ILE 40 -4.984 -7.687 15.116 307 3HG2 ILE 40 1HG2 ILE 40 -4.897 -7.728 13.364 308 1HD1 ILE 40 1HD1 ILE 40 -3.549 -10.124 16.130 309 2HD1 ILE 40 2HD1 ILE 40 -1.906 -10.407 15.502 310 3HD1 ILE 40 3HD1 ILE 40 -2.143 -9.901 17.181 311 H LEU 41 H LEU 41 -2.101 -6.566 11.895 312 HA LEU 41 HA LEU 41 -4.211 -7.120 10.013 313 1HB LEU 41 1HB LEU 41 -3.576 -5.045 11.374 314 2HB LEU 41 2HB LEU 41 -2.261 -4.777 10.261 315 HG LEU 41 HG LEU 41 -4.545 -3.497 10.190 316 1HD1 LEU 41 3HD1 LEU 41 -2.731 -3.025 8.693 317 2HD1 LEU 41 1HD1 LEU 41 -3.189 -4.379 7.643 318 3HD1 LEU 41 2HD1 LEU 41 -4.288 -2.988 7.855 319 1HD2 LEU 41 1HD2 LEU 41 -6.027 -5.434 9.992 320 2HD2 LEU 41 2HD2 LEU 41 -6.210 -4.325 8.633 321 3HD2 LEU 41 3HD2 LEU 41 -5.301 -5.837 8.422 322 H ARG 42 H ARG 42 -1.153 -8.194 9.998 323 HA ARG 42 HA ARG 42 -0.059 -7.981 7.432 324 1HB ARG 42 1HB ARG 42 1.093 -9.017 9.304 325 2HB ARG 42 2HB ARG 42 -0.073 -10.348 9.365 326 1HG ARG 42 1HG ARG 42 0.720 -11.271 7.294 327 2HG ARG 42 2HG ARG 42 1.510 -9.757 6.860 328 1HD ARG 42 1HD ARG 42 3.250 -11.167 7.359 329 2HD ARG 42 2HD ARG 42 3.127 -10.108 8.770 330 HE ARG 42 HE ARG 42 1.700 -12.380 9.445 331 1HH1 ARG 42 2HH2 ARG 42 5.069 -11.752 8.287 332 2HH1 ARG 42 1HH2 ARG 42 5.782 -12.907 9.301 333 1HH2 ARG 42 2HH1 ARG 42 2.710 -14.106 10.697 334 2HH2 ARG 42 1HH1 ARG 42 4.414 -14.324 10.616 335 H GLY 43 H GLY 43 -2.756 -10.076 8.531 336 1HA GLY 43 1HA GLY 43 -2.866 -11.728 6.224 337 2HA GLY 43 2HA GLY 43 -4.221 -11.383 7.312 338 H LEU 44 H LEU 44 -4.614 -8.640 6.953 339 HA LEU 44 HA LEU 44 -6.215 -8.733 4.593 340 1HB LEU 44 1HB LEU 44 -6.568 -7.486 6.856 341 2HB LEU 44 2HB LEU 44 -5.486 -6.261 6.220 342 HG LEU 44 HG LEU 44 -7.767 -5.581 6.022 343 1HD1 LEU 44 1HD1 LEU 44 -6.168 -4.975 4.165 344 2HD1 LEU 44 2HD1 LEU 44 -6.919 -6.270 3.201 345 3HD1 LEU 44 3HD1 LEU 44 -7.882 -4.891 3.764 346 1HD2 LEU 44 1HD2 LEU 44 -8.840 -7.814 5.951 347 2HD2 LEU 44 2HD2 LEU 44 -9.458 -6.721 4.707 348 3HD2 LEU 44 3HD2 LEU 44 -8.322 -8.007 4.262 349 H CYS 45 H CYS 45 -3.427 -6.575 5.489 350 HA CYS 45 HA CYS 45 -2.890 -5.501 3.068 351 1HB CYS 45 1HB CYS 45 -2.003 -4.996 5.353 352 2HB CYS 45 2HB CYS 45 -0.946 -6.374 5.227 353 H LYS 46 H LYS 46 -1.391 -8.642 4.232 354 HA LYS 46 HA LYS 46 0.056 -8.867 1.781 355 1HB LYS 46 1HB LYS 46 -0.438 -10.972 3.874 356 2HB LYS 46 2HB LYS 46 0.303 -11.337 2.306 357 1HG LYS 46 1HG LYS 46 1.872 -9.350 2.685 358 2HG LYS 46 2HG LYS 46 1.289 -9.341 4.355 359 1HD LYS 46 1HD LYS 46 2.426 -11.178 4.949 360 2HD LYS 46 2HD LYS 46 2.519 -11.851 3.301 361 1HE LYS 46 1HE LYS 46 4.058 -9.992 2.632 362 2HE LYS 46 2HE LYS 46 3.977 -9.329 4.248 363 1HZ LYS 46 3HZ LYS 46 5.241 -11.928 3.577 364 2HZ LYS 46 1HZ LYS 46 6.008 -10.506 3.851 365 3HZ LYS 46 2HZ LYS 46 5.220 -11.207 5.077 366 H LYS 47 H LYS 47 -3.318 -9.920 2.522 367 HA LYS 47 HA LYS 47 -3.619 -11.230 -0.032 368 1HB LYS 47 1HB LYS 47 -5.255 -11.645 1.626 369 2HB LYS 47 2HB LYS 47 -5.685 -9.935 1.724 370 1HG LYS 47 1HG LYS 47 -7.280 -11.237 0.433 371 2HG LYS 47 2HG LYS 47 -6.589 -9.937 -0.521 372 1HD LYS 47 1HD LYS 47 -5.051 -11.813 -1.522 373 2HD LYS 47 2HD LYS 47 -6.169 -12.947 -0.777 374 1HE LYS 47 1HE LYS 47 -6.900 -10.724 -2.761 375 2HE LYS 47 2HE LYS 47 -6.591 -12.395 -3.216 376 1HZ LYS 47 2HZ LYS 47 -8.796 -11.503 -1.463 377 2HZ LYS 47 3HZ LYS 47 -8.927 -11.949 -3.035 378 3HZ LYS 47 1HZ LYS 47 -8.503 -13.064 -1.911 379 H ILE 48 H ILE 48 -4.097 -7.785 0.964 380 HA ILE 48 HA ILE 48 -5.145 -6.831 -1.493 381 HB ILE 48 HB ILE 48 -3.423 -5.449 0.597 382 1HG1 ILE 48 1HG1 ILE 48 -5.813 -6.421 1.153 383 2HG1 ILE 48 2HG1 ILE 48 -5.236 -4.888 1.792 384 1HG2 ILE 48 2HG2 ILE 48 -4.980 -4.138 -1.654 385 2HG2 ILE 48 3HG2 ILE 48 -4.254 -3.293 -0.266 386 3HG2 ILE 48 1HG2 ILE 48 -3.225 -4.136 -1.417 387 1HD1 ILE 48 2HD1 ILE 48 -7.056 -5.134 -0.625 388 2HD1 ILE 48 3HD1 ILE 48 -7.610 -4.901 1.045 389 3HD1 ILE 48 1HD1 ILE 48 -6.622 -3.653 0.288 390 H MET 49 H MET 49 -1.739 -6.769 -0.300 391 HA MET 49 HA MET 49 -0.571 -5.939 -2.707 392 1HB MET 49 1HB MET 49 0.434 -7.392 -0.251 393 2HB MET 49 2HB MET 49 1.498 -7.107 -1.631 394 1HG MET 49 1HG MET 49 1.671 -5.341 0.087 395 2HG MET 49 2HG MET 49 1.229 -4.741 -1.506 396 1HE MET 49 2HE MET 49 0.831 -2.434 -0.396 397 2HE MET 49 3HE MET 49 -0.323 -2.121 0.907 398 3HE MET 49 1HE MET 49 1.143 -3.078 1.228 399 H ARG 50 H ARG 50 -0.973 -9.416 -1.573 400 HA ARG 50 HA ARG 50 0.310 -10.465 -3.864 401 1HB ARG 50 1HB ARG 50 -0.473 -11.631 -1.717 402 2HB ARG 50 2HB ARG 50 -2.043 -11.831 -2.463 403 1HG ARG 50 1HG ARG 50 0.444 -12.740 -3.953 404 2HG ARG 50 2HG ARG 50 -0.135 -13.709 -2.603 405 1HD ARG 50 1HD ARG 50 -2.183 -14.235 -3.641 406 2HD ARG 50 2HD ARG 50 -2.039 -12.980 -4.853 407 HE ARG 50 HE ARG 50 -0.740 -15.604 -4.817 408 1HH1 ARG 50 2HH2 ARG 50 -0.852 -12.404 -6.448 409 2HH1 ARG 50 1HH2 ARG 50 -0.162 -12.990 -7.905 410 1HH2 ARG 50 2HH1 ARG 50 0.218 -16.351 -6.779 411 2HH2 ARG 50 1HH1 ARG 50 0.479 -15.276 -8.089 412 H SER 51 H SER 51 -2.934 -9.335 -3.442 413 HA SER 51 HA SER 51 -3.942 -10.362 -5.981 414 1HB SER 51 1HB SER 51 -5.166 -9.997 -3.754 415 2HB SER 51 2HB SER 51 -5.214 -8.277 -4.163 416 HG SER 51 HG SER 51 -6.414 -8.854 -6.000 417 H PHE 52 H PHE 52 -2.731 -7.139 -4.834 418 HA PHE 52 HA PHE 52 -2.919 -6.162 -7.652 419 1HB PHE 52 1HB PHE 52 -3.673 -4.444 -5.279 420 2HB PHE 52 2HB PHE 52 -4.060 -4.210 -6.972 421 HD1 PHE 52 HD1 PHE 52 -5.662 -6.168 -8.005 422 HD2 PHE 52 HD2 PHE 52 -5.385 -5.030 -3.854 423 HE1 PHE 52 HE1 PHE 52 -7.936 -7.069 -7.600 424 HE2 PHE 52 HE2 PHE 52 -7.665 -5.922 -3.458 425 HZ PHE 52 HZ PHE 52 -8.944 -6.946 -5.332 426 H LEU 53 H LEU 53 -0.421 -6.935 -6.092 427 HA LEU 53 HA LEU 53 0.782 -4.833 -4.914 428 1HB LEU 53 1HB LEU 53 1.713 -7.149 -5.060 429 2HB LEU 53 2HB LEU 53 2.292 -6.805 -6.676 430 HG LEU 53 HG LEU 53 3.886 -5.198 -5.839 431 1HD1 LEU 53 3HD1 LEU 53 2.588 -5.530 -3.099 432 2HD1 LEU 53 1HD1 LEU 53 4.140 -4.723 -3.395 433 3HD1 LEU 53 2HD1 LEU 53 2.673 -4.030 -4.065 434 1HD2 LEU 53 2HD2 LEU 53 3.734 -7.653 -4.007 435 2HD2 LEU 53 3HD2 LEU 53 4.495 -7.582 -5.614 436 3HD2 LEU 53 1HD2 LEU 53 5.180 -6.667 -4.264 437 H ARG 54 H ARG 54 1.406 -5.482 -8.429 438 HA ARG 54 HA ARG 54 2.876 -3.120 -8.856 439 1HB ARG 54 1HB ARG 54 2.570 -5.089 -10.461 440 2HB ARG 54 2HB ARG 54 0.992 -4.417 -10.873 441 1HG ARG 54 1HG ARG 54 2.465 -3.707 -12.587 442 2HG ARG 54 2HG ARG 54 2.210 -2.279 -11.590 443 1HD ARG 54 1HD ARG 54 4.404 -2.926 -10.380 444 2HD ARG 54 2HD ARG 54 4.662 -4.103 -11.668 445 HE ARG 54 HE ARG 54 4.953 -1.227 -11.676 446 1HH1 ARG 54 2HH2 ARG 54 4.675 -4.005 -13.866 447 2HH1 ARG 54 1HH2 ARG 54 5.412 -3.184 -15.203 448 1HH2 ARG 54 2HH1 ARG 54 5.907 -0.220 -13.300 449 2HH2 ARG 54 1HH1 ARG 54 6.150 -0.872 -14.900 450 H ARG 55 H ARG 55 -0.744 -3.359 -8.434 451 HA ARG 55 HA ARG 55 -1.129 -0.746 -9.547 452 1HB ARG 55 1HB ARG 55 -2.851 -2.527 -7.761 453 2HB ARG 55 2HB ARG 55 -3.330 -1.011 -8.399 454 1HG ARG 55 1HG ARG 55 -2.734 -3.499 -10.008 455 2HG ARG 55 2HG ARG 55 -4.328 -2.860 -9.659 456 1HD ARG 55 1HD ARG 55 -2.250 -1.374 -11.317 457 2HD ARG 55 2HD ARG 55 -3.447 -2.456 -12.004 458 HE ARG 55 HE ARG 55 -3.889 0.190 -10.755 459 1HH1 ARG 55 2HH2 ARG 55 -5.372 -2.519 -12.527 460 2HH1 ARG 55 1HH2 ARG 55 -6.749 -1.608 -13.022 461 1HH2 ARG 55 2HH1 ARG 55 -5.681 1.376 -11.412 462 2HH2 ARG 55 1HH1 ARG 55 -6.945 0.679 -12.349 463 H ILE 56 H ILE 56 -0.730 -2.204 -6.219 464 HA ILE 56 HA ILE 56 -1.102 0.294 -4.930 465 HB ILE 56 HB ILE 56 0.595 -2.033 -3.951 466 1HG1 ILE 56 1HG1 ILE 56 -1.529 -2.994 -4.223 467 2HG1 ILE 56 2HG1 ILE 56 -1.512 -2.504 -2.553 468 1HG2 ILE 56 2HG2 ILE 56 -0.524 0.454 -2.633 469 2HG2 ILE 56 3HG2 ILE 56 -0.093 -0.978 -1.682 470 3HG2 ILE 56 1HG2 ILE 56 1.140 -0.138 -2.630 471 1HD1 ILE 56 2HD1 ILE 56 -2.826 -0.419 -3.237 472 2HD1 ILE 56 3HD1 ILE 56 -2.956 -1.122 -4.861 473 3HD1 ILE 56 1HD1 ILE 56 -3.671 -1.966 -3.488 474 H SER 57 H SER 57 1.771 -1.007 -6.574 475 HA SER 57 HA SER 57 3.488 1.079 -5.674 476 1HB SER 57 1HB SER 57 4.225 -1.099 -6.689 477 2HB SER 57 2HB SER 57 3.573 -0.567 -8.248 478 HG SER 57 HG SER 57 5.553 -0.022 -8.425 479 H TRP 58 H TRP 58 1.687 0.781 -8.829 480 HA TRP 58 HA TRP 58 2.112 3.338 -9.839 481 1HB TRP 58 1HB TRP 58 0.838 2.230 -11.340 482 2HB TRP 58 2HB TRP 58 -0.011 1.308 -10.121 483 HD1 TRP 58 HD1 TRP 58 -0.171 4.973 -11.426 484 HE1 TRP 58 HE1 TRP 58 -2.542 5.820 -11.205 485 HE3 TRP 58 HE3 TRP 58 -2.305 0.966 -9.165 486 HZ2 TRP 58 HZ2 TRP 58 -5.270 4.499 -10.925 487 HZ3 TRP 58 HZ3 TRP 58 -4.638 0.883 -8.691 488 HH2 TRP 58 HH2 TRP 58 -6.200 2.541 -9.580 489 H ASP 59 H ASP 59 -0.300 2.392 -7.426 490 HA ASP 59 HA ASP 59 -1.582 4.865 -7.075 491 1HB ASP 59 1HB ASP 59 -1.207 2.454 -5.275 492 2HB ASP 59 2HB ASP 59 -1.951 3.880 -4.662 493 HD1 ASP 59 HD2 ASP 59 -4.801 3.515 -6.996 494 H ILE 60 H ILE 60 1.320 3.660 -5.198 495 HA ILE 60 HA ILE 60 1.583 6.183 -3.830 496 HB ILE 60 HB ILE 60 3.855 4.249 -4.349 497 1HG1 ILE 60 1HG1 ILE 60 2.388 2.816 -3.221 498 2HG1 ILE 60 2HG1 ILE 60 3.369 3.490 -1.939 499 1HG2 ILE 60 3HG2 ILE 60 4.500 6.481 -3.498 500 2HG2 ILE 60 1HG2 ILE 60 3.341 6.336 -2.171 501 3HG2 ILE 60 2HG2 ILE 60 4.744 5.259 -2.258 502 1HD1 ILE 60 3HD1 ILE 60 1.487 5.052 -1.397 503 2HD1 ILE 60 1HD1 ILE 60 0.498 4.197 -2.615 504 3HD1 ILE 60 2HD1 ILE 60 1.118 3.322 -1.214 505 H LEU 61 H LEU 61 3.135 4.850 -6.784 506 HA LEU 61 HA LEU 61 4.944 6.943 -7.235 507 1HB LEU 61 1HB LEU 61 3.541 5.114 -9.212 508 2HB LEU 61 2HB LEU 61 4.877 6.167 -9.651 509 HG LEU 61 HG LEU 61 5.150 4.039 -7.489 510 1HD1 LEU 61 1HD1 LEU 61 4.509 2.950 -9.607 511 2HD1 LEU 61 2HD1 LEU 61 5.803 3.818 -10.462 512 3HD1 LEU 61 3HD1 LEU 61 6.188 2.618 -9.212 513 1HD2 LEU 61 3HD2 LEU 61 6.894 5.822 -7.479 514 2HD2 LEU 61 1HD2 LEU 61 7.531 4.236 -7.901 515 3HD2 LEU 61 2HD2 LEU 61 7.263 5.448 -9.172 516 H THR 62 H THR 62 1.521 6.793 -8.157 517 HA THR 62 HA THR 62 1.686 9.378 -9.572 518 HB THR 62 HB THR 62 -0.822 9.075 -9.778 519 HG1 THR 62 HG1 THR 62 -0.198 6.475 -8.803 520 1HG2 THR 62 1HG2 THR 62 0.754 8.538 -11.570 521 2HG2 THR 62 2HG2 THR 62 0.989 6.908 -10.913 522 3HG2 THR 62 3HG2 THR 62 -0.602 7.404 -11.555 523 H GLY 63 H GLY 63 2.255 8.943 -6.579 524 1HA GLY 63 1HA GLY 63 1.885 9.793 -4.543 525 2HA GLY 63 2HA GLY 63 1.747 11.331 -5.414 526 H LYS 64 H LYS 64 -0.429 8.419 -5.311 527 HA LYS 64 HA LYS 64 -2.643 10.347 -5.079 528 1HB LYS 64 1HB LYS 64 -2.561 8.461 -6.693 529 2HB LYS 64 2HB LYS 64 -2.664 7.296 -5.377 530 1HG LYS 64 1HG LYS 64 -4.890 8.387 -4.737 531 2HG LYS 64 2HG LYS 64 -4.741 9.386 -6.192 532 1HD LYS 64 1HD LYS 64 -4.962 6.353 -6.041 533 2HD LYS 64 2HD LYS 64 -6.173 7.474 -6.669 534 1HE LYS 64 1HE LYS 64 -4.668 8.090 -8.539 535 2HE LYS 64 2HE LYS 64 -3.390 7.058 -7.873 536 1HZ LYS 64 3HZ LYS 64 -4.911 5.163 -8.142 537 2HZ LYS 64 1HZ LYS 64 -6.002 6.067 -8.870 538 3HZ LYS 64 2HZ LYS 64 -4.519 5.862 -9.567 539 H LYS 65 H LYS 65 -4.013 10.399 -3.297 540 HA LYS 65 HA LYS 65 -2.659 9.713 -0.787 541 1HB LYS 65 1HB LYS 65 -5.077 11.346 -1.460 542 2HB LYS 65 2HB LYS 65 -4.869 10.813 0.191 543 1HG LYS 65 1HG LYS 65 -3.979 13.099 -0.350 544 2HG LYS 65 2HG LYS 65 -2.893 12.039 0.509 545 1HD LYS 65 1HD LYS 65 -2.653 12.537 -2.484 546 2HD LYS 65 2HD LYS 65 -1.925 13.583 -1.288 547 1HE LYS 65 1HE LYS 65 -1.238 10.643 -1.686 548 2HE LYS 65 2HE LYS 65 -0.287 12.006 -2.221 549 1HZ LYS 65 3HZ LYS 65 -0.896 11.652 0.641 550 2HZ LYS 65 1HZ LYS 65 0.245 10.782 -0.010 551 3HZ LYS 65 2HZ LYS 65 0.393 12.430 -0.059 552 HA PRO 66 HA PRO 66 -4.104 5.889 0.238 553 1HB PRO 66 1HB PRO 66 -4.769 6.022 2.936 554 2HB PRO 66 2HB PRO 66 -3.107 6.008 2.292 555 1HG PRO 66 1HG PRO 66 -4.760 8.423 3.059 556 2HG PRO 66 2HG PRO 66 -3.059 8.055 3.483 557 1HD PRO 66 1HD PRO 66 -3.542 9.681 1.461 558 2HD PRO 66 2HD PRO 66 -2.318 8.388 1.245 559 H GLN 67 H GLN 67 -6.469 8.180 1.738 560 HA GLN 67 HA GLN 67 -8.680 6.390 1.718 561 1HB GLN 67 1HB GLN 67 -8.762 8.338 3.054 562 2HB GLN 67 2HB GLN 67 -8.391 9.417 1.724 563 1HG GLN 67 1HG GLN 67 -10.973 7.798 1.850 564 2HG GLN 67 2HG GLN 67 -10.798 9.383 2.609 565 1HE2 GLN 67 2HE2 GLN 67 -12.229 9.880 -0.829 566 2HE2 GLN 67 1HE2 GLN 67 -12.747 8.874 0.511 567 H ALA 68 H ALA 68 -7.315 8.470 -0.845 568 HA ALA 68 HA ALA 68 -9.550 8.024 -2.603 569 1HB ALA 68 3HB ALA 68 -6.734 9.062 -3.187 570 2HB ALA 68 1HB ALA 68 -8.129 9.139 -4.279 571 3HB ALA 68 2HB ALA 68 -8.152 10.051 -2.758 572 H ILE 69 H ILE 69 -6.229 6.602 -2.257 573 HA ILE 69 HA ILE 69 -6.269 4.856 -4.459 574 HB ILE 69 HB ILE 69 -4.996 4.654 -1.713 575 1HG1 ILE 69 1HG1 ILE 69 -3.756 5.037 -4.457 576 2HG1 ILE 69 2HG1 ILE 69 -4.317 6.387 -3.530 577 1HG2 ILE 69 3HG2 ILE 69 -4.798 2.686 -4.032 578 2HG2 ILE 69 1HG2 ILE 69 -3.567 2.786 -2.762 579 3HG2 ILE 69 2HG2 ILE 69 -5.215 2.340 -2.348 580 1HD1 ILE 69 2HD1 ILE 69 -2.235 4.470 -2.412 581 2HD1 ILE 69 3HD1 ILE 69 -1.863 5.945 -3.302 582 3HD1 ILE 69 1HD1 ILE 69 -2.753 6.044 -1.773 583 H CYS 70 H CYS 70 -7.569 4.241 -1.151 584 HA CYS 70 HA CYS 70 -8.459 1.611 -1.829 585 1HB CYS 70 1HB CYS 70 -9.609 3.523 0.266 586 2HB CYS 70 2HB CYS 70 -9.723 1.756 0.285 587 H VAL 71 H VAL 71 -10.202 4.762 -2.258 588 HA VAL 71 HA VAL 71 -12.615 3.348 -3.112 589 HB VAL 71 HB VAL 71 -11.762 6.249 -3.256 590 1HG1 VAL 71 1HG1 VAL 71 -13.404 5.770 -5.087 591 2HG1 VAL 71 2HG1 VAL 71 -14.542 5.141 -3.864 592 3HG1 VAL 71 3HG1 VAL 71 -14.046 6.830 -3.835 593 1HG2 VAL 71 1HG2 VAL 71 -12.227 5.351 -0.965 594 2HG2 VAL 71 2HG2 VAL 71 -13.445 6.521 -1.465 595 3HG2 VAL 71 3HG2 VAL 71 -13.825 4.794 -1.520 596 H ASP 72 H ASP 72 -9.795 4.779 -4.715 597 HA ASP 72 HA ASP 72 -10.370 4.711 -7.392 598 1HB ASP 72 1HB ASP 72 -8.518 5.830 -6.514 599 2HB ASP 72 2HB ASP 72 -7.890 4.409 -5.735 600 H ILE 73 H ILE 73 -8.668 1.975 -5.687 601 HA ILE 73 HA ILE 73 -9.339 0.291 -8.074 602 HB ILE 73 HB ILE 73 -7.926 -1.464 -6.780 603 1HG1 ILE 73 1HG1 ILE 73 -6.933 1.097 -5.442 604 2HG1 ILE 73 2HG1 ILE 73 -7.964 -0.100 -4.622 605 1HG2 ILE 73 2HG2 ILE 73 -7.334 -0.309 -8.877 606 2HG2 ILE 73 3HG2 ILE 73 -6.649 1.016 -7.904 607 3HG2 ILE 73 1HG2 ILE 73 -5.951 -0.634 -7.836 608 1HD1 ILE 73 1HD1 ILE 73 -6.183 -1.789 -5.127 609 2HD1 ILE 73 2HD1 ILE 73 -5.176 -0.435 -5.728 610 3HD1 ILE 73 3HD1 ILE 73 -5.702 -0.453 -4.028 611 H LYS 74 H LYS 74 -10.853 1.193 -5.449 612 HA LYS 74 HA LYS 74 -12.544 0.877 -4.371 613 1HB LYS 74 1HB LYS 74 -13.421 0.974 -6.654 614 2HB LYS 74 2HB LYS 74 -13.600 -0.801 -6.643 615 1HG LYS 74 1HG LYS 74 -14.966 -0.753 -4.759 616 2HG LYS 74 2HG LYS 74 -14.598 0.869 -4.324 617 1HD LYS 74 1HD LYS 74 -16.449 0.137 -6.593 618 2HD LYS 74 2HD LYS 74 -16.861 0.877 -5.100 619 1HE LYS 74 1HE LYS 74 -15.414 2.077 -7.462 620 2HE LYS 74 2HE LYS 74 -16.882 2.626 -6.638 621 1HZ LYS 74 3HZ LYS 74 -15.246 2.999 -4.669 622 2HZ LYS 74 1HZ LYS 74 -14.083 2.930 -5.786 623 3HZ LYS 74 2HZ LYS 74 -15.237 4.083 -5.917 624 H ILE 75 H ILE 75 -11.388 0.097 -2.956 625 HA ILE 75 HA ILE 75 -11.748 -2.589 -1.802 626 HB ILE 75 HB ILE 75 -9.525 -0.515 -1.716 627 1HG1 ILE 75 1HG1 ILE 75 -9.614 -3.474 -2.491 628 2HG1 ILE 75 2HG1 ILE 75 -9.542 -2.106 -3.608 629 1HG2 ILE 75 2HG2 ILE 75 -9.786 -2.924 0.129 630 2HG2 ILE 75 3HG2 ILE 75 -8.333 -1.906 -0.038 631 3HG2 ILE 75 1HG2 ILE 75 -9.792 -1.210 0.608 632 1HD1 ILE 75 1HD1 ILE 75 -7.362 -1.435 -2.502 633 2HD1 ILE 75 2HD1 ILE 75 -7.398 -3.013 -1.692 634 3HD1 ILE 75 3HD1 ILE 75 -7.347 -2.954 -3.452 635 H CYS 76 H CYS 76 -12.481 0.845 -1.509 636 HA CYS 76 HA CYS 76 -12.529 0.778 1.369 637 1HB CYS 76 1HB CYS 76 -12.178 2.800 -0.089 638 2HB CYS 76 2HB CYS 76 -13.822 2.631 -0.685 639 H LYS 77 H LYS 77 -14.964 0.453 -1.106 640 HA LYS 77 HA LYS 77 -16.929 -0.326 -1.254 641 1HB LYS 77 1HB LYS 77 -16.500 -2.457 -0.390 642 2HB LYS 77 2HB LYS 77 -16.492 -1.891 1.283 643 1HG LYS 77 1HG LYS 77 -18.559 -3.145 0.728 644 2HG LYS 77 2HG LYS 77 -18.893 -1.518 1.267 645 1HD LYS 77 1HD LYS 77 -19.127 -0.898 -1.275 646 2HD LYS 77 2HD LYS 77 -19.090 -2.636 -1.544 647 1HE LYS 77 1HE LYS 77 -21.360 -2.263 -1.418 648 2HE LYS 77 2HE LYS 77 -21.022 -2.688 0.265 649 1HZ LYS 77 3HZ LYS 77 -20.929 -0.132 0.626 650 2HZ LYS 77 1HZ LYS 77 -21.364 0.062 -0.845 651 3HZ LYS 77 2HZ LYS 77 -22.412 -0.687 0.149 652 H GLU 78 H GLU 78 -17.608 1.368 -1.447 653 HA GLU 78 HA GLU 78 -18.593 3.485 0.173 654 1HB GLU 78 1HB GLU 78 -19.118 2.538 -2.720 655 2HB GLU 78 2HB GLU 78 -19.355 4.157 -2.100 656 1HG GLU 78 1HG GLU 78 -17.503 3.974 -3.664 657 2HG GLU 78 2HG GLU 78 -16.923 4.514 -2.090 No H/Q in entry = 657 Start of MODEL 20 1 1H GLY 1 2H GLY 1 -16.392 -4.481 2.961 2 2H GLY 1 3H GLY 1 -16.924 -3.089 2.207 3 3H GLY 1 1H GLY 1 -15.356 -3.299 2.455 4 1HA GLY 1 1HA GLY 1 -16.255 -1.744 4.002 5 2HA GLY 1 2HA GLY 1 -17.382 -3.011 4.571 6 H TYR 2 H TYR 2 -15.628 -1.733 6.409 7 HA TYR 2 HA TYR 2 -13.943 -1.827 7.870 8 1HB TYR 2 1HB TYR 2 -14.655 -3.960 8.638 9 2HB TYR 2 2HB TYR 2 -13.959 -4.790 7.259 10 HD1 TYR 2 HD1 TYR 2 -12.773 -2.457 10.014 11 HD2 TYR 2 HD2 TYR 2 -11.987 -5.966 7.617 12 HE1 TYR 2 HE1 TYR 2 -10.677 -2.848 11.266 13 HE2 TYR 2 HE2 TYR 2 -9.910 -6.366 8.879 14 HH TYR 2 HH TYR 2 -8.612 -5.704 10.701 15 H PHE 3 H PHE 3 -13.140 -3.575 4.937 16 HA PHE 3 HA PHE 3 -10.543 -3.262 4.520 17 1HB PHE 3 1HB PHE 3 -12.950 -2.899 2.714 18 2HB PHE 3 2HB PHE 3 -11.339 -2.788 2.086 19 HD1 PHE 3 HD1 PHE 3 -9.668 -4.748 2.947 20 HD2 PHE 3 HD2 PHE 3 -13.914 -5.006 2.272 21 HE1 PHE 3 HE1 PHE 3 -9.465 -7.194 2.612 22 HE2 PHE 3 HE2 PHE 3 -13.721 -7.452 1.963 23 HZ PHE 3 HZ PHE 3 -11.506 -8.549 2.138 24 H CYS 4 H CYS 4 -12.841 -0.468 4.148 25 HA CYS 4 HA CYS 4 -11.032 1.300 3.066 26 1HB CYS 4 1HB CYS 4 -13.480 1.912 3.600 27 2HB CYS 4 2HB CYS 4 -12.978 2.128 5.268 28 H GLU 5 H GLU 5 -11.506 0.814 6.630 29 HA GLU 5 HA GLU 5 -9.535 2.782 7.321 30 1HB GLU 5 1HB GLU 5 -11.472 1.815 8.753 31 2HB GLU 5 2HB GLU 5 -10.396 0.462 9.096 32 1HG GLU 5 1HG GLU 5 -9.906 3.423 9.668 33 2HG GLU 5 2HG GLU 5 -10.301 2.186 10.858 34 H SER 6 H SER 6 -9.549 -0.777 7.150 35 HA SER 6 HA SER 6 -6.897 -1.339 7.845 36 1HB SER 6 1HB SER 6 -8.591 -2.625 5.654 37 2HB SER 6 2HB SER 6 -7.096 -3.304 6.305 38 HG SER 6 HG SER 6 -9.419 -2.743 7.867 39 H CYS 7 H CYS 7 -8.124 -0.590 4.552 40 HA CYS 7 HA CYS 7 -5.642 -0.646 3.195 41 1HB CYS 7 1HB CYS 7 -7.836 -0.874 2.204 42 2HB CYS 7 2HB CYS 7 -8.254 0.784 2.593 43 H ARG 8 H ARG 8 -7.490 2.086 4.658 44 HA ARG 8 HA ARG 8 -5.774 4.136 3.731 45 1HB ARG 8 1HB ARG 8 -8.098 4.351 4.858 46 2HB ARG 8 2HB ARG 8 -7.254 4.172 6.405 47 1HG ARG 8 1HG ARG 8 -5.768 6.145 5.605 48 2HG ARG 8 2HG ARG 8 -6.951 6.346 4.300 49 1HD ARG 8 1HD ARG 8 -8.748 6.525 6.087 50 2HD ARG 8 2HD ARG 8 -7.464 6.579 7.302 51 HE ARG 8 HE ARG 8 -8.377 8.627 5.494 52 1HH1 ARG 8 2HH2 ARG 8 -5.504 7.604 7.331 53 2HH1 ARG 8 1HH2 ARG 8 -4.563 9.010 6.984 54 1HH2 ARG 8 2HH1 ARG 8 -7.303 10.722 5.454 55 2HH2 ARG 8 1HH1 ARG 8 -5.710 10.894 6.109 56 H LYS 9 H LYS 9 -5.741 2.303 6.827 57 HA LYS 9 HA LYS 9 -3.379 3.476 7.887 58 1HB LYS 9 1HB LYS 9 -5.097 2.213 9.139 59 2HB LYS 9 2HB LYS 9 -4.635 0.722 8.317 60 1HG LYS 9 1HG LYS 9 -2.407 0.816 9.318 61 2HG LYS 9 2HG LYS 9 -2.771 2.359 10.099 62 1HD LYS 9 1HD LYS 9 -4.458 -0.128 10.645 63 2HD LYS 9 2HD LYS 9 -2.910 0.129 11.438 64 1HE LYS 9 1HE LYS 9 -4.409 0.943 12.992 65 2HE LYS 9 2HE LYS 9 -3.771 2.402 12.227 66 1HZ LYS 9 1HZ LYS 9 -6.405 1.171 11.521 67 2HZ LYS 9 2HZ LYS 9 -6.213 2.425 12.545 68 3HZ LYS 9 3HZ LYS 9 -5.893 2.542 10.960 69 H ILE 10 H ILE 10 -3.847 0.542 5.896 70 HA ILE 10 HA ILE 10 -1.185 -0.363 5.866 71 HB ILE 10 HB ILE 10 -3.592 -0.779 4.095 72 1HG1 ILE 10 1HG1 ILE 10 -1.950 -2.755 5.739 73 2HG1 ILE 10 2HG1 ILE 10 -3.227 -1.796 6.455 74 1HG2 ILE 10 1HG2 ILE 10 -0.824 -1.907 3.625 75 2HG2 ILE 10 2HG2 ILE 10 -2.296 -2.652 2.960 76 3HG2 ILE 10 3HG2 ILE 10 -1.850 -1.024 2.477 77 1HD1 ILE 10 2HD1 ILE 10 -4.901 -2.794 4.916 78 2HD1 ILE 10 3HD1 ILE 10 -3.642 -3.787 4.183 79 3HD1 ILE 10 1HD1 ILE 10 -4.064 -4.023 5.868 80 H ILE 11 H ILE 11 -2.847 1.746 3.403 81 HA ILE 11 HA ILE 11 -0.418 2.186 1.937 82 HB ILE 11 HB ILE 11 -3.027 3.738 2.076 83 1HG1 ILE 11 1HG1 ILE 11 -3.245 1.672 0.792 84 2HG1 ILE 11 2HG1 ILE 11 -3.320 3.063 -0.276 85 1HG2 ILE 11 2HG2 ILE 11 -0.583 4.427 0.387 86 2HG2 ILE 11 3HG2 ILE 11 -2.213 5.085 0.138 87 3HG2 ILE 11 1HG2 ILE 11 -1.342 5.439 1.616 88 1HD1 ILE 11 2HD1 ILE 11 -0.984 2.642 -1.004 89 2HD1 ILE 11 3HD1 ILE 11 -0.938 1.196 0.040 90 3HD1 ILE 11 1HD1 ILE 11 -2.076 1.294 -1.314 91 H GLN 12 H GLN 12 -2.003 4.171 4.553 92 HA GLN 12 HA GLN 12 -0.166 6.256 4.385 93 1HB GLN 12 1HB GLN 12 -1.733 5.195 6.751 94 2HB GLN 12 2HB GLN 12 -0.731 6.642 6.866 95 1HG GLN 12 1HG GLN 12 -2.647 6.548 4.555 96 2HG GLN 12 2HG GLN 12 -3.343 6.677 6.162 97 1HE2 GLN 12 2HE2 GLN 12 -1.054 9.870 4.861 98 2HE2 GLN 12 1HE2 GLN 12 -0.822 8.379 4.011 99 H LYS 13 H LYS 13 0.279 3.264 6.502 100 HA LYS 13 HA LYS 13 2.776 4.447 7.301 101 1HB LYS 13 1HB LYS 13 1.503 2.824 8.727 102 2HB LYS 13 2HB LYS 13 2.094 1.523 7.690 103 1HG LYS 13 1HG LYS 13 3.385 1.928 9.851 104 2HG LYS 13 2HG LYS 13 4.372 1.891 8.390 105 1HD LYS 13 1HD LYS 13 4.630 4.264 8.370 106 2HD LYS 13 2HD LYS 13 3.403 4.508 9.621 107 1HE LYS 13 1HE LYS 13 4.874 3.592 11.308 108 2HE LYS 13 2HE LYS 13 6.043 3.068 10.070 109 1HZ LYS 13 2HZ LYS 13 5.361 5.937 10.337 110 2HZ LYS 13 3HZ LYS 13 6.630 5.264 11.186 111 3HZ LYS 13 1HZ LYS 13 6.515 5.322 9.539 112 H LEU 14 H LEU 14 1.893 2.577 4.480 113 HA LEU 14 HA LEU 14 4.619 1.764 3.866 114 1HB LEU 14 1HB LEU 14 2.584 0.667 2.906 115 2HB LEU 14 2HB LEU 14 2.180 2.121 2.060 116 HG LEU 14 HG LEU 14 3.379 0.166 0.862 117 1HD1 LEU 14 1HD1 LEU 14 2.807 2.249 -0.206 118 2HD1 LEU 14 2HD1 LEU 14 4.282 3.026 0.405 119 3HD1 LEU 14 3HD1 LEU 14 4.396 1.698 -0.746 120 1HD2 LEU 14 1HD2 LEU 14 5.384 0.010 2.374 121 2HD2 LEU 14 2HD2 LEU 14 5.772 0.248 0.659 122 3HD2 LEU 14 3HD2 LEU 14 5.906 1.586 1.784 123 H GLU 15 H GLU 15 2.447 4.389 2.866 124 HA GLU 15 HA GLU 15 4.096 5.798 1.117 125 1HB GLU 15 1HB GLU 15 1.610 5.893 1.444 126 2HB GLU 15 2HB GLU 15 1.840 6.585 3.041 127 1HG GLU 15 1HG GLU 15 2.665 8.674 2.022 128 2HG GLU 15 2HG GLU 15 2.452 7.958 0.415 129 H ASP 16 H ASP 16 3.613 6.208 4.602 130 HA ASP 16 HA ASP 16 5.477 8.245 5.172 131 1HB ASP 16 1HB ASP 16 3.887 7.532 6.817 132 2HB ASP 16 2HB ASP 16 4.283 5.843 6.586 133 H MET 17 H MET 17 6.043 4.684 5.092 134 HA MET 17 HA MET 17 8.808 5.085 5.844 135 1HB MET 17 1HB MET 17 7.324 2.658 4.767 136 2HB MET 17 2HB MET 17 9.040 2.648 5.214 137 1HG MET 17 1HG MET 17 8.401 3.414 7.511 138 2HG MET 17 2HG MET 17 6.721 3.213 7.079 139 1HE MET 17 2HE MET 17 6.911 0.496 5.268 140 2HE MET 17 3HE MET 17 8.675 0.324 5.312 141 3HE MET 17 1HE MET 17 7.646 -0.906 6.072 142 H VAL 18 H VAL 18 7.215 4.320 2.666 143 HA VAL 18 HA VAL 18 9.793 3.963 1.382 144 HB VAL 18 HB VAL 18 7.519 2.939 0.762 145 1HG1 VAL 18 1HG1 VAL 18 6.237 5.020 0.543 146 2HG1 VAL 18 2HG1 VAL 18 7.197 5.434 -0.884 147 3HG1 VAL 18 3HG1 VAL 18 6.183 3.979 -0.905 148 1HG2 VAL 18 3HG2 VAL 18 9.615 3.831 -1.166 149 2HG2 VAL 18 1HG2 VAL 18 9.317 2.258 -0.423 150 3HG2 VAL 18 2HG2 VAL 18 8.220 2.841 -1.680 151 H GLY 19 H GLY 19 7.643 6.629 2.124 152 1HA GLY 19 1HA GLY 19 8.106 8.799 2.301 153 2HA GLY 19 2HA GLY 19 9.651 8.601 1.448 154 HA PRO 20 HA PRO 20 6.256 10.344 -1.259 155 1HB PRO 20 1HB PRO 20 7.024 12.958 -1.611 156 2HB PRO 20 2HB PRO 20 6.236 12.399 -0.103 157 1HG PRO 20 1HG PRO 20 9.219 12.679 -0.647 158 2HG PRO 20 2HG PRO 20 8.286 13.349 0.731 159 1HD PRO 20 1HD PRO 20 9.633 10.979 0.913 160 2HD PRO 20 2HD PRO 20 8.060 11.221 1.733 161 H GLN 21 H GLN 21 9.292 9.543 -1.811 162 HA GLN 21 HA GLN 21 9.182 10.099 -4.741 163 1HB GLN 21 1HB GLN 21 11.536 10.842 -2.955 164 2HB GLN 21 2HB GLN 21 11.590 10.806 -4.721 165 1HG GLN 21 1HG GLN 21 9.958 12.600 -4.888 166 2HG GLN 21 2HG GLN 21 9.695 12.592 -3.143 167 1HE2 GLN 21 2HE2 GLN 21 13.238 14.190 -4.467 168 2HE2 GLN 21 1HE2 GLN 21 12.489 12.955 -5.472 169 HA PRO 22 HA PRO 22 10.915 5.906 -3.685 170 1HB PRO 22 1HB PRO 22 8.900 4.226 -3.737 171 2HB PRO 22 2HB PRO 22 8.954 5.466 -2.446 172 1HG PRO 22 1HG PRO 22 7.400 5.651 -5.053 173 2HG PRO 22 2HG PRO 22 6.801 5.813 -3.368 174 1HD PRO 22 1HD PRO 22 7.649 7.981 -4.904 175 2HD PRO 22 2HD PRO 22 7.715 7.918 -3.119 176 H ASN 23 H ASN 23 10.401 3.726 -5.211 177 HA ASN 23 HA ASN 23 9.810 4.451 -7.977 178 1HB ASN 23 1HB ASN 23 11.773 3.357 -8.878 179 2HB ASN 23 2HB ASN 23 12.292 4.663 -7.812 180 1HD2 ASN 23 2HD2 ASN 23 13.826 2.437 -5.485 181 2HD2 ASN 23 1HD2 ASN 23 13.627 4.103 -6.006 182 H GLU 24 H GLU 24 9.462 2.451 -9.221 183 HA GLU 24 HA GLU 24 7.510 0.820 -8.287 184 1HB GLU 24 1HB GLU 24 8.035 1.242 -10.610 185 2HB GLU 24 2HB GLU 24 9.588 0.456 -10.449 186 1HG GLU 24 1HG GLU 24 8.238 -1.045 -11.654 187 2HG GLU 24 2HG GLU 24 8.339 -1.744 -10.049 188 H ASP 25 H ASP 25 11.034 0.014 -8.000 189 HA ASP 25 HA ASP 25 10.464 -2.696 -7.042 190 1HB ASP 25 1HB ASP 25 12.625 -2.436 -8.035 191 2HB ASP 25 2HB ASP 25 13.005 -1.027 -7.030 192 H THR 26 H THR 26 11.704 0.342 -5.587 193 HA THR 26 HA THR 26 11.744 -0.698 -2.994 194 HB THR 26 HB THR 26 11.395 2.220 -3.784 195 HG1 THR 26 HG1 THR 26 13.428 0.356 -4.092 196 1HG2 THR 26 3HG2 THR 26 11.283 1.788 -1.316 197 2HG2 THR 26 1HG2 THR 26 12.854 0.977 -1.402 198 3HG2 THR 26 2HG2 THR 26 12.716 2.710 -1.785 199 H VAL 27 H VAL 27 8.976 0.753 -4.716 200 HA VAL 27 HA VAL 27 7.296 0.728 -2.337 201 HB VAL 27 HB VAL 27 6.441 0.623 -5.261 202 1HG1 VAL 27 2HG1 VAL 27 4.966 0.808 -2.627 203 2HG1 VAL 27 3HG1 VAL 27 4.303 1.653 -4.019 204 3HG1 VAL 27 1HG1 VAL 27 4.549 -0.107 -4.082 205 1HG2 VAL 27 1HG2 VAL 27 7.640 2.720 -4.724 206 2HG2 VAL 27 2HG2 VAL 27 5.939 3.002 -5.035 207 3HG2 VAL 27 3HG2 VAL 27 6.538 3.008 -3.357 208 H THR 28 H THR 28 7.951 -1.657 -4.991 209 HA THR 28 HA THR 28 6.048 -3.561 -4.190 210 HB THR 28 HB THR 28 8.654 -3.689 -5.760 211 HG1 THR 28 HG1 THR 28 7.229 -2.710 -6.944 212 1HG2 THR 28 2HG2 THR 28 6.678 -5.977 -5.427 213 2HG2 THR 28 3HG2 THR 28 7.951 -5.858 -6.658 214 3HG2 THR 28 1HG2 THR 28 8.390 -5.952 -4.952 215 H GLN 29 H GLN 29 9.540 -3.342 -3.312 216 HA GLN 29 HA GLN 29 9.337 -5.596 -1.520 217 1HB GLN 29 1HB GLN 29 11.531 -4.888 -0.656 218 2HB GLN 29 2HB GLN 29 11.477 -5.163 -2.395 219 1HG GLN 29 1HG GLN 29 11.759 -2.918 -2.918 220 2HG GLN 29 2HG GLN 29 11.330 -2.352 -1.295 221 1HE2 GLN 29 2HE2 GLN 29 15.188 -3.033 -2.110 222 2HE2 GLN 29 1HE2 GLN 29 13.962 -2.892 -3.357 223 H ALA 30 H ALA 30 9.373 -2.014 -0.889 224 HA ALA 30 HA ALA 30 9.259 -2.306 1.910 225 1HB ALA 30 3HB ALA 30 9.882 -0.184 0.796 226 2HB ALA 30 1HB ALA 30 8.194 0.022 0.262 227 3HB ALA 30 2HB ALA 30 8.589 0.042 1.988 228 H ALA 31 H ALA 31 6.594 -2.263 -0.497 229 HA ALA 31 HA ALA 31 4.542 -2.083 1.552 230 1HB ALA 31 1HB ALA 31 4.214 -1.251 -0.804 231 2HB ALA 31 2HB ALA 31 4.306 -2.921 -1.392 232 3HB ALA 31 3HB ALA 31 2.982 -2.431 -0.320 233 H SER 32 H SER 32 5.816 -4.836 -0.500 234 HA SER 32 HA SER 32 3.934 -6.717 0.679 235 1HB SER 32 1HB SER 32 5.566 -8.451 -0.152 236 2HB SER 32 2HB SER 32 5.062 -7.302 -1.403 237 HG SER 32 HG SER 32 7.020 -6.299 -1.310 238 H GLN 33 H GLN 33 7.026 -5.500 1.823 239 HA GLN 33 HA GLN 33 6.650 -7.097 4.248 240 1HB GLN 33 1HB GLN 33 8.944 -5.362 3.344 241 2HB GLN 33 2HB GLN 33 8.850 -6.141 4.932 242 1HG GLN 33 1HG GLN 33 8.760 -7.598 2.241 243 2HG GLN 33 2HG GLN 33 10.135 -7.533 3.333 244 1HE2 GLN 33 2HE2 GLN 33 8.775 -9.898 5.710 245 2HE2 GLN 33 1HE2 GLN 33 9.954 -8.644 5.453 246 H VAL 34 H VAL 34 5.747 -3.820 3.276 247 HA VAL 34 HA VAL 34 5.542 -2.707 5.834 248 HB VAL 34 HB VAL 34 4.837 -1.633 3.599 249 1HG1 VAL 34 1HG1 VAL 34 2.622 -3.179 3.309 250 2HG1 VAL 34 2HG1 VAL 34 1.970 -1.940 4.331 251 3HG1 VAL 34 3HG1 VAL 34 2.715 -1.513 2.788 252 1HG2 VAL 34 1HG2 VAL 34 3.411 -1.105 6.164 253 2HG2 VAL 34 2HG2 VAL 34 4.967 -0.432 5.580 254 3HG2 VAL 34 3HG2 VAL 34 3.456 -0.010 4.776 255 H CYS 35 H CYS 35 3.514 -4.932 4.027 256 HA CYS 35 HA CYS 35 1.411 -5.274 5.901 257 1HB CYS 35 1HB CYS 35 2.609 -7.284 3.914 258 2HB CYS 35 2HB CYS 35 1.000 -7.328 4.636 259 H ASP 36 H ASP 36 4.389 -7.142 5.228 260 HA ASP 36 HA ASP 36 4.027 -9.080 7.239 261 1HB ASP 36 1HB ASP 36 5.831 -8.953 5.439 262 2HB ASP 36 2HB ASP 36 6.767 -7.986 6.594 263 H LYS 37 H LYS 37 5.483 -5.926 7.499 264 HA LYS 37 HA LYS 37 6.381 -5.998 10.191 265 1HB LYS 37 1HB LYS 37 7.203 -4.712 8.181 266 2HB LYS 37 2HB LYS 37 5.826 -3.625 8.338 267 1HG LYS 37 1HG LYS 37 6.767 -2.785 10.470 268 2HG LYS 37 2HG LYS 37 8.077 -3.990 10.365 269 1HD LYS 37 1HD LYS 37 8.716 -3.013 8.117 270 2HD LYS 37 2HD LYS 37 7.508 -1.746 8.370 271 1HE LYS 37 1HE LYS 37 8.763 -0.948 10.354 272 2HE LYS 37 2HE LYS 37 9.928 -2.268 10.149 273 1HZ LYS 37 3HZ LYS 37 10.563 -1.302 8.021 274 2HZ LYS 37 1HZ LYS 37 9.485 -0.075 8.212 275 3HZ LYS 37 2HZ LYS 37 10.765 -0.209 9.223 276 H LEU 38 H LEU 38 3.417 -4.805 8.643 277 HA LEU 38 HA LEU 38 2.185 -3.710 11.069 278 1HB LEU 38 1HB LEU 38 1.163 -4.345 8.272 279 2HB LEU 38 2HB LEU 38 0.131 -3.719 9.542 280 HG LEU 38 HG LEU 38 2.572 -2.178 8.571 281 1HD1 LEU 38 2HD1 LEU 38 1.064 -2.605 6.652 282 2HD1 LEU 38 3HD1 LEU 38 -0.316 -1.991 7.588 283 3HD1 LEU 38 1HD1 LEU 38 1.014 -0.905 7.127 284 1HD2 LEU 38 1HD2 LEU 38 0.032 -1.257 9.982 285 2HD2 LEU 38 2HD2 LEU 38 1.643 -1.413 10.730 286 3HD2 LEU 38 3HD2 LEU 38 1.371 -0.229 9.446 287 H LYS 39 H LYS 39 2.389 -5.587 12.480 288 HA LYS 39 HA LYS 39 1.311 -8.121 11.548 289 1HB LYS 39 1HB LYS 39 1.611 -8.899 13.932 290 2HB LYS 39 2HB LYS 39 3.055 -8.473 13.052 291 1HG LYS 39 1HG LYS 39 1.787 -6.291 14.713 292 2HG LYS 39 2HG LYS 39 2.518 -7.639 15.598 293 1HD LYS 39 1HD LYS 39 4.668 -7.214 14.845 294 2HD LYS 39 2HD LYS 39 4.118 -6.505 13.334 295 1HE LYS 39 1HE LYS 39 3.226 -4.537 14.759 296 2HE LYS 39 2HE LYS 39 4.244 -5.184 16.058 297 1HZ LYS 39 1HZ LYS 39 5.171 -4.454 13.337 298 2HZ LYS 39 2HZ LYS 39 5.384 -3.519 14.689 299 3HZ LYS 39 3HZ LYS 39 6.138 -4.976 14.567 300 H ILE 40 H ILE 40 -0.404 -9.274 12.825 301 HA ILE 40 HA ILE 40 -2.546 -9.567 13.420 302 HB ILE 40 HB ILE 40 -2.832 -6.578 13.958 303 1HG1 ILE 40 1HG1 ILE 40 -1.173 -7.453 15.503 304 2HG1 ILE 40 2HG1 ILE 40 -2.676 -7.111 16.336 305 1HG2 ILE 40 2HG2 ILE 40 -4.662 -8.907 14.619 306 2HG2 ILE 40 3HG2 ILE 40 -4.843 -7.246 15.222 307 3HG2 ILE 40 1HG2 ILE 40 -4.973 -7.572 13.496 308 1HD1 ILE 40 3HD1 ILE 40 -3.224 -9.545 16.361 309 2HD1 ILE 40 1HD1 ILE 40 -1.684 -9.885 15.533 310 3HD1 ILE 40 2HD1 ILE 40 -1.686 -9.185 17.158 311 H LEU 41 H LEU 41 -2.156 -6.473 11.647 312 HA LEU 41 HA LEU 41 -4.251 -7.158 9.760 313 1HB LEU 41 1HB LEU 41 -3.580 -4.870 10.809 314 2HB LEU 41 2HB LEU 41 -2.259 -4.864 9.642 315 HG LEU 41 HG LEU 41 -3.948 -4.938 7.801 316 1HD1 LEU 41 2HD1 LEU 41 -5.984 -4.674 10.062 317 2HD1 LEU 41 3HD1 LEU 41 -6.336 -4.434 8.346 318 3HD1 LEU 41 1HD1 LEU 41 -5.861 -6.029 8.920 319 1HD2 LEU 41 1HD2 LEU 41 -3.051 -2.789 8.642 320 2HD2 LEU 41 2HD2 LEU 41 -4.731 -2.612 8.102 321 3HD2 LEU 41 3HD2 LEU 41 -4.367 -2.703 9.833 322 H ARG 42 H ARG 42 -1.387 -8.424 10.006 323 HA ARG 42 HA ARG 42 0.180 -8.159 7.722 324 1HB ARG 42 1HB ARG 42 0.504 -9.405 10.007 325 2HB ARG 42 2HB ARG 42 -0.231 -10.790 9.226 326 1HG ARG 42 1HG ARG 42 1.659 -10.752 7.540 327 2HG ARG 42 2HG ARG 42 2.332 -9.376 8.446 328 1HD ARG 42 1HD ARG 42 2.397 -10.808 10.507 329 2HD ARG 42 2HD ARG 42 1.912 -12.198 9.517 330 HE ARG 42 HE ARG 42 4.260 -11.059 8.352 331 1HH1 ARG 42 2HH2 ARG 42 3.406 -12.974 11.207 332 2HH1 ARG 42 1HH2 ARG 42 5.046 -13.434 11.508 333 1HH2 ARG 42 2HH1 ARG 42 6.360 -11.535 8.806 334 2HH2 ARG 42 1HH1 ARG 42 6.800 -12.610 10.072 335 H GLY 43 H GLY 43 -2.369 -10.619 8.306 336 1HA GLY 43 1HA GLY 43 -2.278 -11.806 5.727 337 2HA GLY 43 2HA GLY 43 -3.625 -11.884 6.866 338 H LEU 44 H LEU 44 -3.936 -8.795 6.819 339 HA LEU 44 HA LEU 44 -5.918 -8.911 4.704 340 1HB LEU 44 1HB LEU 44 -6.121 -7.845 7.054 341 2HB LEU 44 2HB LEU 44 -5.133 -6.532 6.448 342 HG LEU 44 HG LEU 44 -7.451 -5.936 6.459 343 1HD1 LEU 44 2HD1 LEU 44 -6.042 -5.079 4.573 344 2HD1 LEU 44 3HD1 LEU 44 -6.731 -6.352 3.539 345 3HD1 LEU 44 1HD1 LEU 44 -7.776 -5.109 4.251 346 1HD2 LEU 44 3HD2 LEU 44 -8.413 -8.219 6.279 347 2HD2 LEU 44 1HD2 LEU 44 -9.187 -7.045 5.211 348 3HD2 LEU 44 2HD2 LEU 44 -8.041 -8.223 4.538 349 H CYS 45 H CYS 45 -3.206 -6.635 5.480 350 HA CYS 45 HA CYS 45 -2.813 -5.473 3.058 351 1HB CYS 45 1HB CYS 45 -1.847 -4.991 5.319 352 2HB CYS 45 2HB CYS 45 -0.790 -6.359 5.149 353 H LYS 46 H LYS 46 -1.122 -8.535 4.150 354 HA LYS 46 HA LYS 46 0.259 -8.765 1.677 355 1HB LYS 46 1HB LYS 46 -0.343 -10.874 3.757 356 2HB LYS 46 2HB LYS 46 0.447 -11.254 2.225 357 1HG LYS 46 1HG LYS 46 2.188 -9.494 2.690 358 2HG LYS 46 2HG LYS 46 1.465 -9.296 4.303 359 1HD LYS 46 1HD LYS 46 1.950 -11.493 4.933 360 2HD LYS 46 2HD LYS 46 2.550 -11.939 3.334 361 1HE LYS 46 1HE LYS 46 3.837 -9.900 5.216 362 2HE LYS 46 2HE LYS 46 4.351 -11.567 5.054 363 1HZ LYS 46 3HZ LYS 46 4.938 -11.057 2.712 364 2HZ LYS 46 1HZ LYS 46 4.615 -9.448 3.002 365 3HZ LYS 46 2HZ LYS 46 5.794 -10.191 3.791 366 H LYS 47 H LYS 47 -3.070 -9.947 2.491 367 HA LYS 47 HA LYS 47 -3.292 -11.345 -0.011 368 1HB LYS 47 1HB LYS 47 -4.722 -11.803 1.948 369 2HB LYS 47 2HB LYS 47 -5.523 -10.232 1.746 370 1HG LYS 47 1HG LYS 47 -6.497 -10.906 -0.353 371 2HG LYS 47 2HG LYS 47 -5.390 -12.273 -0.508 372 1HD LYS 47 1HD LYS 47 -7.553 -13.124 0.017 373 2HD LYS 47 2HD LYS 47 -6.479 -13.415 1.391 374 1HE LYS 47 1HE LYS 47 -7.465 -11.474 2.580 375 2HE LYS 47 2HE LYS 47 -8.498 -11.130 1.182 376 1HZ LYS 47 1HZ LYS 47 -8.611 -13.606 2.807 377 2HZ LYS 47 2HZ LYS 47 -9.689 -12.370 2.878 378 3HZ LYS 47 3HZ LYS 47 -9.568 -13.272 1.515 379 H ILE 48 H ILE 48 -3.995 -7.926 0.894 380 HA ILE 48 HA ILE 48 -5.157 -7.193 -1.627 381 HB ILE 48 HB ILE 48 -3.641 -5.566 0.456 382 1HG1 ILE 48 1HG1 ILE 48 -6.604 -5.631 -0.291 383 2HG1 ILE 48 2HG1 ILE 48 -5.908 -6.522 1.056 384 1HG2 ILE 48 2HG2 ILE 48 -3.394 -4.475 -1.797 385 2HG2 ILE 48 3HG2 ILE 48 -5.164 -4.460 -1.951 386 3HG2 ILE 48 1HG2 ILE 48 -4.345 -3.523 -0.687 387 1HD1 ILE 48 3HD1 ILE 48 -5.188 -4.395 2.118 388 2HD1 ILE 48 1HD1 ILE 48 -5.976 -3.485 0.805 389 3HD1 ILE 48 2HD1 ILE 48 -6.948 -4.492 1.873 390 H MET 49 H MET 49 -1.755 -6.856 -0.431 391 HA MET 49 HA MET 49 -0.635 -6.020 -2.847 392 1HB MET 49 1HB MET 49 0.441 -7.421 -0.393 393 2HB MET 49 2HB MET 49 1.493 -7.091 -1.760 394 1HG MET 49 1HG MET 49 1.607 -5.339 -0.035 395 2HG MET 49 2HG MET 49 1.138 -4.731 -1.617 396 1HE MET 49 2HE MET 49 0.732 -2.480 -0.244 397 2HE MET 49 3HE MET 49 -0.537 -2.263 0.965 398 3HE MET 49 1HE MET 49 0.921 -3.209 1.354 399 H ARG 50 H ARG 50 -1.157 -9.438 -1.771 400 HA ARG 50 HA ARG 50 0.155 -10.733 -3.887 401 1HB ARG 50 1HB ARG 50 -1.123 -11.721 -1.861 402 2HB ARG 50 2HB ARG 50 -2.586 -11.560 -2.808 403 1HG ARG 50 1HG ARG 50 -0.198 -13.355 -3.294 404 2HG ARG 50 2HG ARG 50 -1.819 -13.826 -2.833 405 1HD ARG 50 1HD ARG 50 -0.837 -12.933 -5.550 406 2HD ARG 50 2HD ARG 50 -1.444 -14.509 -5.072 407 HE ARG 50 HE ARG 50 -3.542 -12.661 -4.665 408 1HH1 ARG 50 2HH2 ARG 50 -1.686 -14.068 -7.325 409 2HH1 ARG 50 1HH2 ARG 50 -2.893 -13.845 -8.530 410 1HH2 ARG 50 2HH1 ARG 50 -5.159 -12.124 -6.392 411 2HH2 ARG 50 1HH1 ARG 50 -4.918 -12.795 -7.937 412 H SER 51 H SER 51 -3.153 -9.309 -3.879 413 HA SER 51 HA SER 51 -3.496 -10.254 -6.665 414 1HB SER 51 1HB SER 51 -5.160 -10.564 -4.703 415 2HB SER 51 2HB SER 51 -5.535 -8.846 -4.917 416 HG SER 51 HG SER 51 -6.109 -9.309 -7.056 417 H PHE 52 H PHE 52 -2.653 -7.269 -5.050 418 HA PHE 52 HA PHE 52 -3.123 -5.788 -7.601 419 1HB PHE 52 1HB PHE 52 -3.766 -4.816 -4.790 420 2HB PHE 52 2HB PHE 52 -4.094 -3.970 -6.287 421 HD1 PHE 52 HD1 PHE 52 -5.622 -5.369 -8.047 422 HD2 PHE 52 HD2 PHE 52 -5.576 -5.896 -3.766 423 HE1 PHE 52 HE1 PHE 52 -7.913 -6.315 -8.133 424 HE2 PHE 52 HE2 PHE 52 -7.876 -6.831 -3.863 425 HZ PHE 52 HZ PHE 52 -9.044 -7.036 -6.044 426 H LEU 53 H LEU 53 -0.564 -6.890 -6.601 427 HA LEU 53 HA LEU 53 0.878 -5.140 -5.070 428 1HB LEU 53 1HB LEU 53 1.514 -7.493 -6.085 429 2HB LEU 53 2HB LEU 53 2.161 -6.587 -7.413 430 HG LEU 53 HG LEU 53 3.986 -7.015 -6.012 431 1HD1 LEU 53 1HD1 LEU 53 3.975 -4.590 -6.633 432 2HD1 LEU 53 2HD1 LEU 53 3.195 -4.222 -5.063 433 3HD1 LEU 53 3HD1 LEU 53 4.791 -4.937 -5.118 434 1HD2 LEU 53 1HD2 LEU 53 2.693 -7.746 -4.034 435 2HD2 LEU 53 2HD2 LEU 53 4.046 -6.689 -3.600 436 3HD2 LEU 53 3HD2 LEU 53 2.392 -6.041 -3.613 437 H ARG 54 H ARG 54 1.237 -5.164 -8.704 438 HA ARG 54 HA ARG 54 2.643 -2.699 -8.586 439 1HB ARG 54 1HB ARG 54 2.632 -4.457 -10.499 440 2HB ARG 54 2HB ARG 54 1.202 -3.594 -11.091 441 1HG ARG 54 1HG ARG 54 2.732 -1.443 -10.888 442 2HG ARG 54 2HG ARG 54 4.049 -2.590 -10.757 443 1HD ARG 54 1HD ARG 54 2.101 -2.441 -13.091 444 2HD ARG 54 2HD ARG 54 3.628 -1.579 -13.027 445 HE ARG 54 HE ARG 54 3.205 -4.459 -13.428 446 1HH1 ARG 54 2HH2 ARG 54 5.655 -1.938 -12.787 447 2HH1 ARG 54 1HH2 ARG 54 6.901 -2.698 -13.670 448 1HH2 ARG 54 2HH1 ARG 54 4.920 -5.539 -14.588 449 2HH2 ARG 54 1HH1 ARG 54 6.481 -4.814 -14.654 450 H ARG 55 H ARG 55 -0.874 -3.170 -8.260 451 HA ARG 55 HA ARG 55 -1.528 -0.639 -9.383 452 1HB ARG 55 1HB ARG 55 -2.934 -2.583 -7.556 453 2HB ARG 55 2HB ARG 55 -3.524 -0.977 -7.658 454 1HG ARG 55 1HG ARG 55 -3.297 -2.823 -10.036 455 2HG ARG 55 2HG ARG 55 -4.703 -2.782 -8.994 456 1HD ARG 55 1HD ARG 55 -3.958 -0.178 -10.285 457 2HD ARG 55 2HD ARG 55 -4.517 -1.450 -11.347 458 HE ARG 55 HE ARG 55 -6.484 -1.559 -9.575 459 1HH1 ARG 55 2HH2 ARG 55 -5.178 1.445 -11.114 460 2HH1 ARG 55 1HH2 ARG 55 -6.683 2.256 -10.830 461 1HH2 ARG 55 2HH1 ARG 55 -8.530 -0.273 -9.480 462 2HH2 ARG 55 1HH1 ARG 55 -8.367 1.391 -9.859 463 H ILE 56 H ILE 56 -0.809 -1.962 -6.060 464 HA ILE 56 HA ILE 56 -1.040 0.547 -4.710 465 HB ILE 56 HB ILE 56 0.284 -2.104 -4.174 466 1HG1 ILE 56 1HG1 ILE 56 -1.313 -2.411 -2.521 467 2HG1 ILE 56 2HG1 ILE 56 -1.587 -0.693 -2.289 468 1HG2 ILE 56 2HG2 ILE 56 0.644 0.313 -2.362 469 2HG2 ILE 56 3HG2 ILE 56 1.016 -1.374 -1.945 470 3HG2 ILE 56 1HG2 ILE 56 1.921 -0.580 -3.215 471 1HD1 ILE 56 2HD1 ILE 56 -2.601 -2.250 -4.692 472 2HD1 ILE 56 3HD1 ILE 56 -3.534 -1.812 -3.259 473 3HD1 ILE 56 1HD1 ILE 56 -2.919 -0.546 -4.330 474 H SER 57 H SER 57 1.644 -0.825 -6.626 475 HA SER 57 HA SER 57 3.466 1.213 -5.837 476 1HB SER 57 1HB SER 57 3.912 -1.071 -6.967 477 2HB SER 57 2HB SER 57 3.447 -0.292 -8.491 478 HG SER 57 HG SER 57 5.568 -0.208 -8.276 479 H TRP 58 H TRP 58 1.527 0.966 -8.895 480 HA TRP 58 HA TRP 58 1.995 3.506 -9.918 481 1HB TRP 58 1HB TRP 58 0.649 2.505 -11.412 482 2HB TRP 58 2HB TRP 58 -0.138 1.510 -10.201 483 HD1 TRP 58 HD1 TRP 58 -0.404 5.166 -11.497 484 HE1 TRP 58 HE1 TRP 58 -2.715 6.054 -11.041 485 HE3 TRP 58 HE3 TRP 58 -2.355 1.086 -9.210 486 HZ2 TRP 58 HZ2 TRP 58 -5.143 5.105 -9.574 487 HZ3 TRP 58 HZ3 TRP 58 -4.531 1.086 -8.210 488 HH2 TRP 58 HH2 TRP 58 -5.916 3.089 -8.228 489 H ASP 59 H ASP 59 -0.354 2.618 -7.405 490 HA ASP 59 HA ASP 59 -1.566 5.107 -6.992 491 1HB ASP 59 1HB ASP 59 -1.018 2.776 -5.108 492 2HB ASP 59 2HB ASP 59 -1.724 4.233 -4.511 493 HD2 ASP 59 HD2 ASP 59 -4.112 1.923 -6.460 494 H ILE 60 H ILE 60 1.403 3.876 -5.283 495 HA ILE 60 HA ILE 60 1.773 6.372 -3.901 496 HB ILE 60 HB ILE 60 3.973 4.369 -4.502 497 1HG1 ILE 60 1HG1 ILE 60 2.475 2.971 -3.373 498 2HG1 ILE 60 2HG1 ILE 60 3.514 3.576 -2.122 499 1HG2 ILE 60 2HG2 ILE 60 3.515 6.467 -2.309 500 2HG2 ILE 60 3HG2 ILE 60 4.878 5.344 -2.366 501 3HG2 ILE 60 1HG2 ILE 60 4.689 6.569 -3.624 502 1HD1 ILE 60 2HD1 ILE 60 1.702 5.198 -1.471 503 2HD1 ILE 60 3HD1 ILE 60 0.647 4.421 -2.685 504 3HD1 ILE 60 1HD1 ILE 60 1.253 3.485 -1.321 505 H LEU 61 H LEU 61 3.163 4.985 -6.903 506 HA LEU 61 HA LEU 61 5.029 7.023 -7.439 507 1HB LEU 61 1HB LEU 61 3.554 5.158 -9.327 508 2HB LEU 61 2HB LEU 61 4.923 6.147 -9.811 509 HG LEU 61 HG LEU 61 5.152 4.105 -7.564 510 1HD1 LEU 61 3HD1 LEU 61 4.403 2.950 -9.629 511 2HD1 LEU 61 1HD1 LEU 61 5.753 3.679 -10.525 512 3HD1 LEU 61 2HD1 LEU 61 6.057 2.529 -9.203 513 1HD2 LEU 61 2HD2 LEU 61 6.983 5.801 -7.715 514 2HD2 LEU 61 3HD2 LEU 61 7.512 4.148 -8.031 515 3HD2 LEU 61 1HD2 LEU 61 7.293 5.277 -9.384 516 H THR 62 H THR 62 1.563 6.971 -8.150 517 HA THR 62 HA THR 62 1.780 9.536 -9.635 518 HB THR 62 HB THR 62 -0.692 9.253 -9.954 519 HG1 THR 62 HG1 THR 62 -0.182 6.650 -8.923 520 1HG2 THR 62 3HG2 THR 62 0.967 8.606 -11.658 521 2HG2 THR 62 1HG2 THR 62 1.057 6.975 -10.968 522 3HG2 THR 62 2HG2 THR 62 -0.462 7.565 -11.694 523 H GLY 63 H GLY 63 2.291 9.048 -6.655 524 1HA GLY 63 1HA GLY 63 1.840 9.818 -4.602 525 2HA GLY 63 2HA GLY 63 1.758 11.378 -5.434 526 H LYS 64 H LYS 64 -0.542 8.537 -5.457 527 HA LYS 64 HA LYS 64 -2.678 10.534 -5.240 528 1HB LYS 64 1HB LYS 64 -2.678 8.564 -6.799 529 2HB LYS 64 2HB LYS 64 -2.810 7.477 -5.416 530 1HG LYS 64 1HG LYS 64 -4.993 8.527 -4.827 531 2HG LYS 64 2HG LYS 64 -4.825 9.646 -6.181 532 1HD LYS 64 1HD LYS 64 -5.101 6.610 -6.411 533 2HD LYS 64 2HD LYS 64 -6.384 7.798 -6.648 534 1HE LYS 64 1HE LYS 64 -4.491 8.755 -8.403 535 2HE LYS 64 2HE LYS 64 -4.106 7.036 -8.439 536 1HZ LYS 64 2HZ LYS 64 -6.490 6.627 -9.027 537 2HZ LYS 64 3HZ LYS 64 -6.765 8.230 -9.038 538 3HZ LYS 64 1HZ LYS 64 -5.738 7.562 -10.123 539 H LYS 65 H LYS 65 -4.088 10.637 -3.472 540 HA LYS 65 HA LYS 65 -2.792 9.921 -0.920 541 1HB LYS 65 1HB LYS 65 -5.185 11.577 -1.673 542 2HB LYS 65 2HB LYS 65 -5.000 11.077 -0.010 543 1HG LYS 65 1HG LYS 65 -4.042 13.379 -0.920 544 2HG LYS 65 2HG LYS 65 -3.306 12.523 0.410 545 1HD LYS 65 1HD LYS 65 -2.207 12.261 -2.423 546 2HD LYS 65 2HD LYS 65 -1.797 13.590 -1.371 547 1HE LYS 65 1HE LYS 65 -0.344 12.433 -0.148 548 2HE LYS 65 2HE LYS 65 -1.477 11.123 0.130 549 1HZ LYS 65 1HZ LYS 65 -0.799 10.154 -1.990 550 2HZ LYS 65 2HZ LYS 65 0.330 11.347 -2.195 551 3HZ LYS 65 3HZ LYS 65 0.361 10.270 -0.902 552 HA PRO 66 HA PRO 66 -4.335 6.093 0.040 553 1HB PRO 66 1HB PRO 66 -5.232 6.247 2.675 554 2HB PRO 66 2HB PRO 66 -3.522 6.181 2.171 555 1HG PRO 66 1HG PRO 66 -5.183 8.659 2.737 556 2HG PRO 66 2HG PRO 66 -3.558 8.257 3.361 557 1HD PRO 66 1HD PRO 66 -3.727 9.864 1.281 558 2HD PRO 66 2HD PRO 66 -2.571 8.496 1.171 559 H GLN 67 H GLN 67 -6.677 8.503 1.259 560 HA GLN 67 HA GLN 67 -8.907 6.801 1.391 561 1HB GLN 67 1HB GLN 67 -8.436 9.308 2.200 562 2HB GLN 67 2HB GLN 67 -9.046 9.744 0.617 563 1HG GLN 67 1HG GLN 67 -10.906 9.917 2.044 564 2HG GLN 67 2HG GLN 67 -11.163 8.392 1.186 565 1HE2 GLN 67 2HE2 GLN 67 -11.679 6.949 4.418 566 2HE2 GLN 67 1HE2 GLN 67 -12.341 7.243 2.828 567 H ALA 68 H ALA 68 -7.570 8.632 -1.353 568 HA ALA 68 HA ALA 68 -9.785 7.903 -3.147 569 1HB ALA 68 2HB ALA 68 -7.085 9.246 -3.686 570 2HB ALA 68 3HB ALA 68 -8.414 9.060 -4.849 571 3HB ALA 68 1HB ALA 68 -8.635 10.082 -3.418 572 H ILE 69 H ILE 69 -6.362 6.844 -2.524 573 HA ILE 69 HA ILE 69 -6.128 5.035 -4.676 574 HB ILE 69 HB ILE 69 -5.070 4.958 -1.807 575 1HG1 ILE 69 1HG1 ILE 69 -3.580 5.423 -4.398 576 2HG1 ILE 69 2HG1 ILE 69 -4.234 6.706 -3.470 577 1HG2 ILE 69 1HG2 ILE 69 -4.770 2.879 -3.960 578 2HG2 ILE 69 2HG2 ILE 69 -3.463 3.111 -2.793 579 3HG2 ILE 69 3HG2 ILE 69 -5.069 2.670 -2.237 580 1HD1 ILE 69 1HD1 ILE 69 -2.236 4.754 -2.249 581 2HD1 ILE 69 2HD1 ILE 69 -1.774 6.207 -3.117 582 3HD1 ILE 69 3HD1 ILE 69 -2.754 6.340 -1.644 583 H CYS 70 H CYS 70 -7.347 4.342 -1.393 584 HA CYS 70 HA CYS 70 -8.104 1.651 -1.882 585 1HB CYS 70 1HB CYS 70 -9.234 3.708 0.061 586 2HB CYS 70 2HB CYS 70 -9.419 1.945 0.183 587 H VAL 71 H VAL 71 -10.074 4.705 -2.503 588 HA VAL 71 HA VAL 71 -12.318 2.972 -3.232 589 HB VAL 71 HB VAL 71 -11.986 5.912 -3.931 590 1HG1 VAL 71 2HG1 VAL 71 -14.333 3.899 -3.931 591 2HG1 VAL 71 3HG1 VAL 71 -14.545 5.644 -4.137 592 3HG1 VAL 71 1HG1 VAL 71 -13.669 4.700 -5.355 593 1HG2 VAL 71 3HG2 VAL 71 -12.088 5.475 -1.448 594 2HG2 VAL 71 1HG2 VAL 71 -13.565 6.242 -2.048 595 3HG2 VAL 71 2HG2 VAL 71 -13.549 4.502 -1.741 596 H ASP 72 H ASP 72 -9.633 4.516 -5.141 597 HA ASP 72 HA ASP 72 -10.609 3.986 -7.716 598 1HB ASP 72 1HB ASP 72 -8.610 5.346 -7.042 599 2HB ASP 72 2HB ASP 72 -7.721 3.859 -6.756 600 H ILE 73 H ILE 73 -8.637 1.927 -5.591 601 HA ILE 73 HA ILE 73 -8.880 -0.334 -7.460 602 HB ILE 73 HB ILE 73 -7.279 -1.439 -6.116 603 1HG1 ILE 73 1HG1 ILE 73 -7.712 0.789 -4.070 604 2HG1 ILE 73 2HG1 ILE 73 -8.064 -0.906 -3.888 605 1HG2 ILE 73 2HG2 ILE 73 -6.643 0.513 -7.638 606 2HG2 ILE 73 3HG2 ILE 73 -6.366 1.445 -6.168 607 3HG2 ILE 73 1HG2 ILE 73 -5.436 -0.048 -6.476 608 1HD1 ILE 73 1HD1 ILE 73 -5.659 -1.431 -4.157 609 2HD1 ILE 73 2HD1 ILE 73 -5.305 0.319 -4.230 610 3HD1 ILE 73 3HD1 ILE 73 -5.977 -0.365 -2.753 611 H LYS 74 H LYS 74 -10.868 0.848 -5.172 612 HA LYS 74 HA LYS 74 -12.825 0.330 -4.388 613 1HB LYS 74 1HB LYS 74 -13.162 -0.637 -6.668 614 2HB LYS 74 2HB LYS 74 -12.806 -2.235 -5.974 615 1HG LYS 74 1HG LYS 74 -14.593 -1.643 -4.209 616 2HG LYS 74 2HG LYS 74 -15.060 -0.311 -5.250 617 1HD LYS 74 1HD LYS 74 -14.939 -3.146 -6.323 618 2HD LYS 74 2HD LYS 74 -16.333 -2.622 -5.385 619 1HE LYS 74 1HE LYS 74 -15.357 -0.984 -7.747 620 2HE LYS 74 2HE LYS 74 -16.415 -2.385 -7.990 621 1HZ LYS 74 1HZ LYS 74 -17.116 -0.142 -6.177 622 2HZ LYS 74 2HZ LYS 74 -17.627 -0.239 -7.736 623 3HZ LYS 74 3HZ LYS 74 -18.069 -1.353 -6.603 624 H ILE 75 H ILE 75 -11.541 0.247 -2.516 625 HA ILE 75 HA ILE 75 -12.003 -2.185 -0.867 626 HB ILE 75 HB ILE 75 -9.519 -0.428 -1.028 627 1HG1 ILE 75 1HG1 ILE 75 -9.894 -3.371 -1.813 628 2HG1 ILE 75 2HG1 ILE 75 -9.649 -2.034 -2.924 629 1HG2 ILE 75 3HG2 ILE 75 -9.875 -1.288 1.293 630 2HG2 ILE 75 1HG2 ILE 75 -9.859 -2.954 0.625 631 3HG2 ILE 75 2HG2 ILE 75 -8.430 -1.933 0.552 632 1HD1 ILE 75 2HD1 ILE 75 -7.444 -1.594 -1.641 633 2HD1 ILE 75 3HD1 ILE 75 -7.636 -3.257 -1.055 634 3HD1 ILE 75 1HD1 ILE 75 -7.526 -2.946 -2.798 635 H CYS 76 H CYS 76 -12.281 1.310 -1.170 636 HA CYS 76 HA CYS 76 -12.835 1.473 1.759 637 1HB CYS 76 1HB CYS 76 -11.156 3.009 1.086 638 2HB CYS 76 2HB CYS 76 -12.250 3.688 -0.137 639 H LYS 77 H LYS 77 -14.237 3.914 -0.363 640 HA LYS 77 HA LYS 77 -16.929 2.988 0.446 641 1HB LYS 77 1HB LYS 77 -16.170 5.495 0.472 642 2HB LYS 77 2HB LYS 77 -16.349 5.437 -1.275 643 1HG LYS 77 1HG LYS 77 -18.437 5.027 0.889 644 2HG LYS 77 2HG LYS 77 -18.393 6.305 -0.311 645 1HD LYS 77 1HD LYS 77 -18.998 3.367 -0.873 646 2HD LYS 77 2HD LYS 77 -20.202 4.623 -0.649 647 1HE LYS 77 1HE LYS 77 -19.751 5.676 -2.690 648 2HE LYS 77 2HE LYS 77 -18.108 5.025 -2.774 649 1HZ LYS 77 1HZ LYS 77 -19.026 2.829 -3.161 650 2HZ LYS 77 2HZ LYS 77 -20.542 3.393 -3.166 651 3HZ LYS 77 3HZ LYS 77 -19.463 3.857 -4.335 652 H GLU 78 H GLU 78 -16.025 1.145 -0.624 653 HA GLU 78 HA GLU 78 -15.552 0.523 -3.218 654 1HB GLU 78 1HB GLU 78 -17.373 -0.953 -1.276 655 2HB GLU 78 2HB GLU 78 -16.567 -1.700 -2.654 656 1HG GLU 78 1HG GLU 78 -14.487 -1.692 -1.664 657 2HG GLU 78 2HG GLU 78 -14.737 -0.239 -0.785 No H/Q in entry = 657
Contact the webmaster for help, if required. Friday, July 5, 2024 2:23:32 AM GMT (wattos1)