NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12853 | 1tot | 6238 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H1 GLY 1 3.549 -3.787 -10.384 2 2H GLY 1 H2 GLY 1 3.666 -2.205 -9.941 3 3H GLY 1 H3 GLY 1 4.829 -3.279 -9.481 4 1HA GLY 1 HA2 GLY 1 3.047 -4.518 -8.251 5 2HA GLY 1 HA3 GLY 1 3.514 -2.923 -7.601 6 H GLN 2 H GLN 2 0.841 -4.368 -7.362 7 HA GLN 2 HA GLN 2 -0.775 -2.036 -8.018 8 1HB GLN 2 HB2 GLN 2 -0.731 -3.250 -10.133 9 2HB GLN 2 HB3 GLN 2 -1.278 -4.728 -9.366 10 1HG GLN 2 HG2 GLN 2 -3.457 -3.825 -8.918 11 2HG GLN 2 HG3 GLN 2 -2.901 -2.160 -9.166 12 1HE2 GLN 2 2HE2 GLN 2 -5.221 -3.153 -10.303 13 2HE2 GLN 2 1HE2 GLN 2 -4.970 -3.191 -12.042 14 H ASP 3 H ASP 3 -2.828 -2.121 -7.182 15 HA ASP 3 HA ASP 3 -3.783 -3.996 -5.131 16 1HB ASP 3 HB2 ASP 3 -2.525 -2.241 -3.897 17 2HB ASP 3 HB3 ASP 3 -3.239 -1.014 -4.966 18 H ARG 4 H ARG 4 -6.235 -3.294 -4.876 19 HA ARG 4 HA ARG 4 -7.354 -3.078 -7.484 20 1HB ARG 4 HB2 ARG 4 -9.544 -2.542 -6.168 21 2HB ARG 4 HB3 ARG 4 -8.821 -4.146 -6.218 22 1HG ARG 4 HG2 ARG 4 -9.669 -3.657 -4.008 23 2HG ARG 4 HG3 ARG 4 -7.931 -3.910 -3.984 24 1HD ARG 4 HD2 ARG 4 -8.167 -1.144 -4.274 25 2HD ARG 4 HD3 ARG 4 -9.547 -1.530 -3.225 26 HE ARG 4 HE ARG 4 -6.683 -1.686 -2.783 27 1HH1 ARG 4 2HH1 ARG 4 -9.728 -2.518 -1.300 28 2HH1 ARG 4 1HH1 ARG 4 -9.041 -3.218 0.135 29 1HH2 ARG 4 1HH2 ARG 4 -5.742 -2.672 -1.119 30 2HH2 ARG 4 2HH2 ARG 4 -6.571 -3.310 0.273 31 H PHE 5 H PHE 5 -6.238 -0.419 -5.453 32 HA PHE 5 HA PHE 5 -6.960 1.345 -7.654 33 1HB PHE 5 HB2 PHE 5 -7.913 3.068 -6.115 34 2HB PHE 5 HB3 PHE 5 -8.916 1.716 -6.565 35 HD1 PHE 5 HD1 PHE 5 -10.523 1.768 -4.872 36 HD2 PHE 5 HD2 PHE 5 -6.355 1.729 -3.802 37 HE1 PHE 5 HE1 PHE 5 -11.120 1.393 -2.497 38 HE2 PHE 5 HE2 PHE 5 -6.942 1.362 -1.453 39 HZ PHE 5 HZ PHE 5 -9.312 1.207 -0.773 40 H VAL 6 H VAL 6 -4.563 0.217 -5.954 41 HA VAL 6 HA VAL 6 -3.028 2.732 -6.014 42 HB VAL 6 HB VAL 6 -3.506 0.863 -3.730 43 1HG1 VAL 6 1HG1 VAL 6 -0.683 1.903 -4.190 44 2HG1 VAL 6 2HG1 VAL 6 -1.332 1.155 -2.713 45 3HG1 VAL 6 3HG1 VAL 6 -1.214 0.216 -4.201 46 1HG2 VAL 6 1HG2 VAL 6 -2.645 3.759 -3.984 47 2HG2 VAL 6 2HG2 VAL 6 -4.286 3.166 -3.698 48 3HG2 VAL 6 3HG2 VAL 6 -3.058 2.925 -2.453 49 H TYR 7 H TYR 7 -0.816 2.367 -6.424 50 HA TYR 7 HA TYR 7 0.064 -0.061 -7.841 51 1HB TYR 7 HB2 TYR 7 -0.213 2.745 -9.001 52 2HB TYR 7 HB3 TYR 7 0.455 1.355 -9.833 53 HD1 TYR 7 HD1 TYR 7 -1.262 -0.442 -10.668 54 HD2 TYR 7 HD2 TYR 7 -2.552 3.107 -8.574 55 HE1 TYR 7 HE1 TYR 7 -3.538 -0.740 -11.543 56 HE2 TYR 7 HE2 TYR 7 -4.869 2.536 -9.100 57 HH TYR 7 HH TYR 7 -6.278 1.295 -10.468 58 H THR 8 H THR 8 2.357 1.022 -8.913 59 HA THR 8 HA THR 8 3.649 2.770 -6.901 60 HB THR 8 HB THR 8 5.722 1.166 -7.565 61 HG1 THR 8 HG1 THR 8 4.849 -0.376 -8.733 62 1HG2 THR 8 1HG2 THR 8 5.120 -0.251 -5.521 63 2HG2 THR 8 2HG2 THR 8 5.350 1.477 -5.332 64 3HG2 THR 8 3HG2 THR 8 3.685 0.796 -5.389 65 H CYS 9 H CYS 9 5.781 3.540 -7.826 66 HA CYS 9 HA CYS 9 5.860 3.767 -10.800 67 1HB CYS 9 HB2 CYS 9 5.555 6.071 -9.823 68 2HB CYS 9 HB3 CYS 9 6.850 5.739 -8.678 69 H ASN 10 H ASN 10 7.378 2.054 -11.104 70 HA ASN 10 HA ASN 10 9.183 1.312 -9.024 71 1HB ASN 10 HB2 ASN 10 8.343 -0.247 -10.755 72 2HB ASN 10 HB3 ASN 10 9.406 0.561 -11.939 73 1HD2 ASN 10 2HD2 ASN 10 11.042 -0.933 -12.267 74 2HD2 ASN 10 1HD2 ASN 10 11.966 -1.707 -10.964 75 H GLU 11 H GLU 11 9.212 4.131 -10.804 76 HA GLU 11 HA GLU 11 12.136 4.218 -10.758 77 1HB GLU 11 HB2 GLU 11 10.190 5.678 -12.366 78 2HB GLU 11 HB3 GLU 11 11.336 6.734 -11.586 79 1HG GLU 11 HG2 GLU 11 12.198 4.226 -13.147 80 2HG GLU 11 HG3 GLU 11 12.202 5.832 -13.835 81 H CYS 12 H CYS 12 9.369 5.302 -8.996 82 HA CYS 12 HA CYS 12 11.103 6.995 -7.236 83 1HB CYS 12 HB2 CYS 12 8.101 6.565 -7.118 84 2HB CYS 12 HB3 CYS 12 9.055 7.752 -6.205 85 H LYS 13 H LYS 13 9.499 3.970 -7.494 86 HA LYS 13 HA LYS 13 8.956 2.237 -6.201 87 1HB LYS 13 HB2 LYS 13 11.723 2.842 -5.023 88 2HB LYS 13 HB3 LYS 13 10.753 1.460 -4.540 89 1HG LYS 13 HG2 LYS 13 11.604 0.322 -6.247 90 2HG LYS 13 HG3 LYS 13 10.645 1.298 -7.331 91 1HD LYS 13 HD2 LYS 13 13.554 1.575 -6.609 92 2HD LYS 13 HD3 LYS 13 12.787 1.194 -8.178 93 1HE LYS 13 HE2 LYS 13 11.759 3.548 -8.018 94 2HE LYS 13 HE3 LYS 13 12.999 3.905 -6.822 95 1HZ LYS 13 HZ1 LYS 13 14.653 3.280 -8.594 96 2HZ LYS 13 HZ2 LYS 13 13.396 3.065 -9.637 97 3HZ LYS 13 HZ3 LYS 13 13.693 4.520 -9.062 98 H HIS 14 H HIS 14 7.682 4.337 -5.828 99 HA HIS 14 HA HIS 14 6.787 4.068 -3.029 100 1HB HIS 14 HB2 HIS 14 7.934 6.214 -3.150 101 2HB HIS 14 HB3 HIS 14 6.952 6.687 -4.559 102 HD2 HIS 14 HD2 HIS 14 4.915 8.085 -3.993 103 HE1 HIS 14 HE1 HIS 14 3.727 6.277 -0.338 104 HE2 HIS 14 HE2 HIS 14 3.072 7.944 -2.123 105 H HIS 15 H HIS 15 4.519 4.790 -2.990 106 HA HIS 15 HA HIS 15 2.962 3.333 -4.906 107 1HB HIS 15 HB2 HIS 15 1.721 3.078 -3.068 108 2HB HIS 15 HB3 HIS 15 2.698 4.215 -2.177 109 HD2 HIS 15 HD2 HIS 15 -0.406 4.095 -4.422 110 HE1 HIS 15 HE1 HIS 15 -0.633 7.789 -2.309 111 HE2 HIS 15 HE2 HIS 15 -1.858 6.239 -3.911 112 H VAL 16 H VAL 16 1.258 4.087 -6.157 113 HA VAL 16 HA VAL 16 0.816 6.942 -6.537 114 HB VAL 16 HB VAL 16 1.176 6.962 -8.897 115 1HG1 VAL 16 1HG1 VAL 16 3.565 5.511 -7.735 116 2HG1 VAL 16 2HG1 VAL 16 3.499 6.327 -9.279 117 3HG1 VAL 16 3HG1 VAL 16 3.282 7.263 -7.755 118 1HG2 VAL 16 1HG2 VAL 16 1.954 5.011 -10.223 119 2HG2 VAL 16 2HG2 VAL 16 1.672 3.964 -8.823 120 3HG2 VAL 16 3HG2 VAL 16 0.316 4.820 -9.583 121 H GLU 17 H GLU 17 -1.336 7.235 -7.711 122 HA GLU 17 HA GLU 17 -3.178 4.927 -7.194 123 1HB GLU 17 HB2 GLU 17 -4.891 6.806 -7.620 124 2HB GLU 17 HB3 GLU 17 -4.077 6.667 -6.052 125 1HG GLU 17 HG2 GLU 17 -4.316 9.017 -6.803 126 2HG GLU 17 HG3 GLU 17 -2.624 8.539 -6.549 127 H THR 18 H THR 18 -1.600 6.710 -9.644 128 HA THR 18 HA THR 18 -2.991 5.126 -11.711 129 HB THR 18 HB THR 18 -2.378 8.119 -11.696 130 HG1 THR 18 HG1 THR 18 -4.159 8.017 -10.658 131 1HG2 THR 18 1HG2 THR 18 -4.245 7.311 -13.791 132 2HG2 THR 18 2HG2 THR 18 -2.700 8.118 -13.978 133 3HG2 THR 18 3HG2 THR 18 -2.756 6.351 -13.975 134 H ARG 19 H ARG 19 -1.527 4.096 -13.005 135 HA ARG 19 HA ARG 19 1.253 5.149 -13.138 136 1HB ARG 19 HB2 ARG 19 2.324 3.073 -12.773 137 2HB ARG 19 HB3 ARG 19 1.209 3.247 -11.425 138 1HG ARG 19 HG2 ARG 19 -0.366 1.668 -12.477 139 2HG ARG 19 HG3 ARG 19 0.678 1.552 -13.903 140 1HD ARG 19 HD2 ARG 19 2.319 0.346 -12.890 141 2HD ARG 19 HD3 ARG 19 1.769 0.647 -11.248 142 HE ARG 19 HE ARG 19 -0.362 -0.695 -12.251 143 1HH1 ARG 19 1HH2 ARG 19 3.077 -1.641 -12.349 144 2HH1 ARG 19 2HH2 ARG 19 2.701 -3.247 -12.861 145 1HH2 ARG 19 1HH1 ARG 19 -0.708 -3.058 -12.447 146 2HH2 ARG 19 2HH1 ARG 19 0.708 -3.999 -12.757 147 H TRP 20 H TRP 20 2.522 4.117 -14.774 148 HA TRP 20 HA TRP 20 1.153 3.190 -17.275 149 1HB TRP 20 HB2 TRP 20 3.793 4.600 -16.769 150 2HB TRP 20 HB3 TRP 20 3.184 4.038 -18.333 151 HD1 TRP 20 HD1 TRP 20 2.529 6.787 -15.732 152 HE1 TRP 20 HE1 TRP 20 0.965 8.535 -16.662 153 HE3 TRP 20 HE3 TRP 20 1.447 4.576 -20.200 154 HZ2 TRP 20 HZ2 TRP 20 -0.577 8.996 -19.082 155 HZ3 TRP 20 HZ3 TRP 20 -0.148 5.654 -21.767 156 HH2 TRP 20 HH2 TRP 20 -1.175 7.851 -21.202 157 H HIS 21 H HIS 21 1.791 1.044 -17.685 158 HA HIS 21 HA HIS 21 3.713 -0.209 -15.757 159 1HB HIS 21 HB2 HIS 21 1.704 -0.700 -14.804 160 2HB HIS 21 HB3 HIS 21 0.804 -0.702 -16.289 161 HD2 HIS 21 HD2 HIS 21 3.836 -3.056 -16.108 162 HE1 HIS 21 HE1 HIS 21 0.419 -5.524 -15.649 163 HE2 HIS 21 HE2 HIS 21 2.950 -5.504 -15.973 164 H CYS 22 H CYS 22 5.238 -1.254 -16.791 165 HA CYS 22 HA CYS 22 5.269 -1.819 -19.625 166 1HB CYS 22 HB2 CYS 22 7.065 -1.765 -17.276 167 2HB CYS 22 HB3 CYS 22 7.403 -3.121 -18.326 168 H THR 23 H THR 23 4.504 -3.489 -20.605 169 HA THR 23 HA THR 23 3.934 -5.940 -19.066 170 HB THR 23 HB THR 23 2.291 -6.542 -20.897 171 HG1 THR 23 HG1 THR 23 3.356 -4.333 -22.012 172 1HG2 THR 23 1HG2 THR 23 1.953 -3.895 -19.551 173 2HG2 THR 23 2HG2 THR 23 0.621 -5.024 -20.014 174 3HG2 THR 23 3HG2 THR 23 1.728 -5.477 -18.732 175 H VAL 24 H VAL 24 6.379 -4.917 -20.386 176 HA VAL 24 HA VAL 24 7.442 -7.092 -22.017 177 HB VAL 24 HB VAL 24 7.611 -4.893 -22.892 178 1HG1 VAL 24 1HG1 VAL 24 7.156 -3.128 -21.751 179 2HG1 VAL 24 2HG1 VAL 24 7.542 -3.840 -20.211 180 3HG1 VAL 24 3HG1 VAL 24 8.841 -3.139 -21.154 181 1HG2 VAL 24 1HG2 VAL 24 10.230 -5.186 -21.369 182 2HG2 VAL 24 2HG2 VAL 24 9.840 -6.075 -22.851 183 3HG2 VAL 24 3HG2 VAL 24 9.995 -4.288 -22.871 184 H CYS 25 H CYS 25 8.418 -4.884 -19.393 185 HA CYS 25 HA CYS 25 10.229 -6.597 -18.020 186 1HB CYS 25 HB2 CYS 25 8.807 -4.173 -16.949 187 2HB CYS 25 HB3 CYS 25 10.424 -4.740 -16.528 188 H GLU 26 H GLU 26 9.896 -7.122 -15.651 189 HA GLU 26 HA GLU 26 7.414 -8.519 -15.171 190 1HB GLU 26 HB2 GLU 26 10.077 -8.321 -13.807 191 2HB GLU 26 HB3 GLU 26 8.667 -8.720 -12.793 192 1HG GLU 26 HG2 GLU 26 8.038 -10.549 -14.256 193 2HG GLU 26 HG3 GLU 26 9.434 -10.229 -15.299 194 H ASP 27 H ASP 27 5.863 -6.887 -15.266 195 HA ASP 27 HA ASP 27 4.461 -5.333 -14.525 196 1HB ASP 27 HB2 ASP 27 4.076 -7.306 -13.056 197 2HB ASP 27 HB3 ASP 27 5.089 -6.580 -11.822 198 H TYR 28 H TYR 28 7.042 -4.385 -14.829 199 HA TYR 28 HA TYR 28 7.852 -2.514 -12.829 200 1HB TYR 28 HB2 TYR 28 9.281 -3.366 -14.677 201 2HB TYR 28 HB3 TYR 28 8.277 -2.513 -15.837 202 HD1 TYR 28 HD1 TYR 28 11.257 -2.340 -13.969 203 HD2 TYR 28 HD2 TYR 28 8.168 0.070 -15.743 204 HE1 TYR 28 HE1 TYR 28 12.750 -0.352 -13.845 205 HE2 TYR 28 HE2 TYR 28 9.622 2.014 -15.702 206 HH TYR 28 HH TYR 28 12.984 1.927 -14.397 207 H ASP 29 H ASP 29 7.439 -0.268 -12.699 208 HA ASP 29 HA ASP 29 4.996 0.669 -14.134 209 1HB ASP 29 HB2 ASP 29 5.513 1.712 -11.387 210 2HB ASP 29 HB3 ASP 29 4.010 1.319 -12.131 211 H LEU 30 H LEU 30 4.713 2.965 -14.096 212 HA LEU 30 HA LEU 30 6.833 4.655 -12.980 213 1HB LEU 30 HB2 LEU 30 5.859 4.735 -15.856 214 2HB LEU 30 HB3 LEU 30 6.667 6.042 -15.017 215 HG LEU 30 HG LEU 30 7.808 3.265 -15.644 216 1HD1 LEU 30 1HD1 LEU 30 8.662 6.000 -16.696 217 2HD1 LEU 30 2HD1 LEU 30 9.316 4.421 -17.138 218 3HD1 LEU 30 3HD1 LEU 30 7.623 4.835 -17.555 219 1HD2 LEU 30 1HD2 LEU 30 10.010 4.080 -14.850 220 2HD2 LEU 30 2HD2 LEU 30 9.285 5.634 -14.394 221 3HD2 LEU 30 3HD2 LEU 30 8.864 4.156 -13.525 222 H CYS 31 H CYS 31 5.953 6.468 -12.020 223 HA CYS 31 HA CYS 31 3.114 7.046 -12.149 224 1HB CYS 31 HB2 CYS 31 3.708 9.097 -11.047 225 2HB CYS 31 HB3 CYS 31 4.479 7.799 -10.157 226 H ILE 32 H ILE 32 2.451 9.188 -12.963 227 HA ILE 32 HA ILE 32 2.748 9.361 -15.678 228 HB ILE 32 HB ILE 32 2.008 11.691 -13.881 229 1HG1 ILE 32 2HG1 ILE 32 0.711 10.022 -12.879 230 2HG1 ILE 32 3HG1 ILE 32 -0.378 10.844 -13.953 231 1HG2 ILE 32 1HG2 ILE 32 1.201 10.832 -16.677 232 2HG2 ILE 32 2HG2 ILE 32 0.469 12.189 -15.780 233 3HG2 ILE 32 3HG2 ILE 32 2.195 12.235 -16.181 234 1HD1 ILE 32 1HD1 ILE 32 -0.428 8.983 -15.483 235 2HD1 ILE 32 2HD1 ILE 32 0.905 8.148 -14.622 236 3HD1 ILE 32 3HD1 ILE 32 -0.638 8.381 -13.825 237 H ASN 33 H ASN 33 4.433 11.327 -13.256 238 HA ASN 33 HA ASN 33 5.719 13.058 -15.140 239 1HB ASN 33 HB2 ASN 33 5.626 13.903 -12.921 240 2HB ASN 33 HB3 ASN 33 6.075 12.360 -12.214 241 1HD2 ASN 33 2HD2 ASN 33 8.374 11.786 -12.051 242 2HD2 ASN 33 1HD2 ASN 33 9.576 13.025 -12.309 243 H CYS 34 H CYS 34 6.767 10.023 -13.528 244 HA CYS 34 HA CYS 34 9.357 10.120 -14.716 245 1HB CYS 34 HB2 CYS 34 7.737 7.919 -13.373 246 2HB CYS 34 HB3 CYS 34 9.314 7.615 -14.109 247 H TYR 35 H TYR 35 6.297 8.480 -15.700 248 HA TYR 35 HA TYR 35 7.336 7.224 -17.997 249 1HB TYR 35 HB2 TYR 35 5.071 6.780 -17.134 250 2HB TYR 35 HB3 TYR 35 4.564 8.416 -17.534 251 HD1 TYR 35 HD1 TYR 35 6.179 5.435 -19.264 252 HD2 TYR 35 HD2 TYR 35 3.422 8.784 -19.536 253 HE1 TYR 35 HE1 TYR 35 5.526 4.705 -21.523 254 HE2 TYR 35 HE2 TYR 35 2.767 8.020 -21.813 255 HH TYR 35 HH TYR 35 4.165 5.078 -23.302 256 H ASN 36 H ASN 36 6.109 10.533 -17.541 257 HA ASN 36 HA ASN 36 6.364 11.502 -20.171 258 1HB ASN 36 HB2 ASN 36 5.988 12.655 -17.437 259 2HB ASN 36 HB3 ASN 36 6.624 13.760 -18.579 260 1HD2 ASN 36 2HD2 ASN 36 3.870 11.659 -17.939 261 2HD2 ASN 36 1HD2 ASN 36 2.738 12.504 -19.024 262 H THR 37 H THR 37 8.975 10.787 -17.981 263 HA THR 37 HA THR 37 10.754 12.587 -19.597 264 HB THR 37 HB THR 37 11.988 12.989 -17.443 265 HG1 THR 37 HG1 THR 37 9.699 12.097 -16.106 266 1HG2 THR 37 1HG2 THR 37 10.471 14.615 -16.497 267 2HG2 THR 37 2HG2 THR 37 10.338 14.651 -18.266 268 3HG2 THR 37 3HG2 THR 37 9.071 13.882 -17.285 269 H LYS 38 H LYS 38 10.667 9.726 -17.506 270 HA LYS 38 HA LYS 38 13.273 8.768 -18.175 271 1HB LYS 38 HB2 LYS 38 10.926 7.135 -17.162 272 2HB LYS 38 HB3 LYS 38 12.625 6.765 -16.957 273 1HG LYS 38 HG2 LYS 38 11.233 9.184 -15.709 274 2HG LYS 38 HG3 LYS 38 11.415 7.636 -14.900 275 1HD LYS 38 HD2 LYS 38 13.894 7.926 -14.910 276 2HD LYS 38 HD3 LYS 38 13.711 9.394 -15.849 277 1HE LYS 38 HE2 LYS 38 14.061 9.992 -13.553 278 2HE LYS 38 HE3 LYS 38 12.414 10.443 -14.008 279 1HZ LYS 38 HZ1 LYS 38 11.623 8.554 -12.764 280 2HZ LYS 38 HZ2 LYS 38 13.161 8.011 -12.506 281 3HZ LYS 38 HZ3 LYS 38 12.645 9.367 -11.791 282 H SER 39 H SER 39 10.630 9.052 -20.175 283 HA SER 39 HA SER 39 9.943 8.134 -22.124 284 1HB SER 39 HB2 SER 39 12.942 8.114 -22.496 285 2HB SER 39 HB3 SER 39 11.711 8.323 -23.765 286 HG SER 39 HG SER 39 12.267 10.093 -21.587 287 H HIS 40 H HIS 40 9.677 5.987 -20.439 288 HA HIS 40 HA HIS 40 11.028 3.637 -21.339 289 1HB HIS 40 HB2 HIS 40 9.114 4.348 -19.331 290 2HB HIS 40 HB3 HIS 40 8.352 3.113 -20.338 291 HD1 HIS 40 HD1 HIS 40 11.366 3.479 -17.938 292 HD2 HIS 40 HD2 HIS 40 9.388 0.704 -20.365 293 HE1 HIS 40 HE1 HIS 40 12.224 1.204 -17.242 294 H THR 41 H THR 41 10.924 2.970 -23.347 295 HA THR 41 HA THR 41 8.698 3.797 -24.995 296 HB THR 41 HB THR 41 10.964 2.357 -26.237 297 HG1 THR 41 HG1 THR 41 11.608 4.599 -24.637 298 1HG2 THR 41 1HG2 THR 41 10.021 5.213 -26.548 299 2HG2 THR 41 2HG2 THR 41 11.128 4.319 -27.634 300 3HG2 THR 41 3HG2 THR 41 9.430 3.805 -27.458 301 H HIS 42 H HIS 42 8.885 1.060 -23.113 302 HA HIS 42 HA HIS 42 8.712 -0.937 -25.211 303 1HB HIS 42 HB2 HIS 42 8.228 -1.115 -22.244 304 2HB HIS 42 HB3 HIS 42 8.612 -2.429 -23.379 305 HD2 HIS 42 HD2 HIS 42 11.271 -0.914 -24.691 306 HE1 HIS 42 HE1 HIS 42 12.703 -1.007 -20.680 307 HE2 HIS 42 HE2 HIS 42 13.365 -0.682 -23.128 308 H LYS 43 H LYS 43 6.962 -2.654 -24.848 309 HA LYS 43 HA LYS 43 4.430 -1.453 -25.364 310 1HB LYS 43 HB2 LYS 43 5.453 -3.594 -26.312 311 2HB LYS 43 HB3 LYS 43 4.964 -4.437 -24.854 312 1HG LYS 43 HG2 LYS 43 2.993 -2.792 -26.473 313 2HG LYS 43 HG3 LYS 43 3.479 -4.381 -27.045 314 1HD LYS 43 HD2 LYS 43 1.711 -5.119 -25.898 315 2HD LYS 43 HD3 LYS 43 2.810 -5.049 -24.502 316 1HE LYS 43 HE2 LYS 43 1.984 -2.622 -24.190 317 2HE LYS 43 HE3 LYS 43 0.781 -2.959 -25.442 318 1HZ LYS 43 HZ1 LYS 43 -0.171 -4.592 -23.968 319 2HZ LYS 43 HZ2 LYS 43 1.060 -4.401 -22.897 320 3HZ LYS 43 HZ3 LYS 43 0.049 -3.154 -23.153 321 H MET 44 H MET 44 3.557 -0.376 -23.721 322 HA MET 44 HA MET 44 3.330 -1.582 -20.995 323 1HB MET 44 HB2 MET 44 3.514 1.275 -22.065 324 2HB MET 44 HB3 MET 44 2.808 0.946 -20.462 325 1HG MET 44 HG2 MET 44 4.643 0.142 -19.561 326 2HG MET 44 HG3 MET 44 5.516 -0.101 -21.084 327 1HE MET 44 HE1 MET 44 6.068 1.184 -18.037 328 2HE MET 44 HE2 MET 44 6.139 2.964 -17.986 329 3HE MET 44 HE3 MET 44 4.573 2.126 -18.046 330 H VAL 45 H VAL 45 1.405 -0.505 -19.792 331 HA VAL 45 HA VAL 45 -1.107 -0.252 -21.233 332 HB VAL 45 HB VAL 45 -2.098 -1.506 -19.332 333 1HG1 VAL 45 1HG1 VAL 45 -1.943 -3.692 -20.335 334 2HG1 VAL 45 2HG1 VAL 45 -1.833 -2.496 -21.650 335 3HG1 VAL 45 3HG1 VAL 45 -0.362 -3.330 -21.045 336 1HG2 VAL 45 1HG2 VAL 45 -0.768 -3.293 -18.227 337 2HG2 VAL 45 2HG2 VAL 45 0.692 -2.494 -18.793 338 3HG2 VAL 45 3HG2 VAL 45 -0.428 -1.613 -17.747 339 H LYS 46 H LYS 46 -2.590 0.637 -19.112 340 HA LYS 46 HA LYS 46 -1.028 2.319 -17.328 341 1HB LYS 46 HB2 LYS 46 -1.293 3.577 -19.527 342 2HB LYS 46 HB3 LYS 46 -3.026 3.548 -19.292 343 1HG LYS 46 HG2 LYS 46 -1.087 4.823 -17.300 344 2HG LYS 46 HG3 LYS 46 -1.747 5.630 -18.705 345 1HD LYS 46 HD2 LYS 46 -4.104 5.191 -17.742 346 2HD LYS 46 HD3 LYS 46 -3.292 4.652 -16.266 347 1HE LYS 46 HE2 LYS 46 -3.773 6.942 -15.962 348 2HE LYS 46 HE3 LYS 46 -2.027 6.842 -16.271 349 1HZ LYS 46 HZ1 LYS 46 -4.162 7.678 -18.138 350 2HZ LYS 46 HZ2 LYS 46 -3.106 8.630 -17.476 351 3HZ LYS 46 HZ3 LYS 46 -2.565 7.557 -18.600 352 H TRP 47 H TRP 47 -2.210 2.465 -15.499 353 HA TRP 47 HA TRP 47 -5.069 1.648 -15.500 354 1HB TRP 47 HB2 TRP 47 -3.022 0.814 -13.438 355 2HB TRP 47 HB3 TRP 47 -4.697 0.297 -13.534 356 HD1 TRP 47 HD1 TRP 47 -1.290 -0.774 -14.411 357 HE1 TRP 47 HE1 TRP 47 -1.211 -2.674 -16.046 358 HE3 TRP 47 HE3 TRP 47 -6.129 -0.601 -16.083 359 HZ2 TRP 47 HZ2 TRP 47 -2.918 -3.831 -18.073 360 HZ3 TRP 47 HZ3 TRP 47 -6.806 -2.028 -18.024 361 HH2 TRP 47 HH2 TRP 47 -5.229 -3.649 -18.993 362 H GLY 48 H GLY 48 -6.243 3.207 -14.332 363 1HA GLY 48 HA2 GLY 48 -4.720 5.201 -12.789 364 2HA GLY 48 HA3 GLY 48 -5.578 5.709 -14.251 365 H LEU 49 H LEU 49 -5.909 6.332 -11.419 366 HA LEU 49 HA LEU 49 -8.786 5.757 -11.169 367 1HB LEU 49 HB2 LEU 49 -6.801 4.272 -9.762 368 2HB LEU 49 HB3 LEU 49 -7.480 5.333 -8.573 369 HG LEU 49 HG LEU 49 -8.524 3.190 -8.653 370 1HD1 LEU 49 1HD1 LEU 49 -9.952 5.080 -7.972 371 2HD1 LEU 49 2HD1 LEU 49 -10.531 5.272 -9.636 372 3HD1 LEU 49 3HD1 LEU 49 -10.921 3.804 -8.729 373 1HD2 LEU 49 1HD2 LEU 49 -9.637 3.694 -11.426 374 2HD2 LEU 49 2HD2 LEU 49 -8.258 2.631 -11.060 375 3HD2 LEU 49 3HD2 LEU 49 -9.864 2.277 -10.404 376 H GLY 50 H GLY 50 -6.439 8.191 -11.072 377 1HA GLY 50 HA2 GLY 50 -8.313 9.924 -9.644 378 2HA GLY 50 HA3 GLY 50 -6.716 9.673 -8.872 379 H LEU 51 H LEU 51 -4.986 9.755 -11.032 380 HA LEU 51 HA LEU 51 -5.408 12.419 -12.285 381 1HB LEU 51 HB2 LEU 51 -2.918 11.292 -10.941 382 2HB LEU 51 HB3 LEU 51 -2.960 12.786 -11.861 383 HG LEU 51 HG LEU 51 -4.551 12.284 -9.297 384 1HD1 LEU 51 1HD1 LEU 51 -2.186 12.147 -8.831 385 2HD1 LEU 51 2HD1 LEU 51 -1.879 13.683 -9.649 386 3HD1 LEU 51 3HD1 LEU 51 -2.850 13.639 -8.152 387 1HD2 LEU 51 1HD2 LEU 51 -5.539 14.098 -10.632 388 2HD2 LEU 51 2HD2 LEU 51 -4.730 14.782 -9.236 389 3HD2 LEU 51 3HD2 LEU 51 -3.941 14.848 -10.836 390 H ASP 52 H ASP 52 -6.200 10.923 -14.049 391 HA ASP 52 HA ASP 52 -4.426 8.992 -15.181 392 1HB ASP 52 HB2 ASP 52 -7.009 9.163 -15.365 393 2HB ASP 52 HB3 ASP 52 -6.709 10.216 -16.737 Start of MODEL 2 1 1H GLY 1 H1 GLY 1 3.970 -3.706 -10.451 2 2H GLY 1 H2 GLY 1 4.273 -2.158 -10.034 3 3H GLY 1 H3 GLY 1 5.307 -3.332 -9.577 4 1HA GLY 1 HA2 GLY 1 3.529 -4.326 -8.190 5 2HA GLY 1 HA3 GLY 1 3.996 -2.664 -7.708 6 H GLN 2 H GLN 2 1.322 -4.337 -7.540 7 HA GLN 2 HA GLN 2 -0.405 -2.130 -8.378 8 1HB GLN 2 HB2 GLN 2 -1.901 -3.982 -9.522 9 2HB GLN 2 HB3 GLN 2 -0.649 -3.151 -10.398 10 1HG GLN 2 HG2 GLN 2 0.878 -5.070 -10.160 11 2HG GLN 2 HG3 GLN 2 -0.365 -5.944 -9.229 12 1HE2 GLN 2 2HE2 GLN 2 0.943 -5.630 -12.337 13 2HE2 GLN 2 1HE2 GLN 2 -0.460 -6.240 -13.210 14 H ASP 3 H ASP 3 -2.499 -2.264 -7.707 15 HA ASP 3 HA ASP 3 -3.556 -4.100 -5.720 16 1HB ASP 3 HB2 ASP 3 -2.405 -2.519 -4.264 17 2HB ASP 3 HB3 ASP 3 -2.989 -1.131 -5.175 18 H ARG 4 H ARG 4 -6.026 -3.457 -5.609 19 HA ARG 4 HA ARG 4 -6.915 -3.062 -8.268 20 1HB ARG 4 HB2 ARG 4 -9.266 -2.715 -7.071 21 2HB ARG 4 HB3 ARG 4 -8.493 -4.261 -7.246 22 1HG ARG 4 HG2 ARG 4 -9.428 -4.084 -5.021 23 2HG ARG 4 HG3 ARG 4 -7.704 -4.201 -4.915 24 1HD ARG 4 HD2 ARG 4 -8.109 -1.452 -4.975 25 2HD ARG 4 HD3 ARG 4 -9.504 -2.024 -4.024 26 HE ARG 4 HE ARG 4 -6.626 -2.056 -3.477 27 1HH1 ARG 4 1HH2 ARG 4 -9.734 -3.056 -2.240 28 2HH1 ARG 4 2HH2 ARG 4 -9.116 -3.726 -0.743 29 1HH2 ARG 4 1HH1 ARG 4 -5.772 -3.037 -1.780 30 2HH2 ARG 4 2HH1 ARG 4 -6.652 -3.624 -0.405 31 H PHE 5 H PHE 5 -6.126 -0.555 -5.950 32 HA PHE 5 HA PHE 5 -6.773 1.368 -8.083 33 1HB PHE 5 HB2 PHE 5 -7.868 2.931 -6.439 34 2HB PHE 5 HB3 PHE 5 -8.783 1.593 -7.039 35 HD1 PHE 5 HD1 PHE 5 -10.450 1.307 -5.431 36 HD2 PHE 5 HD2 PHE 5 -6.363 1.540 -4.125 37 HE1 PHE 5 HE1 PHE 5 -11.153 0.657 -3.157 38 HE2 PHE 5 HE2 PHE 5 -7.059 0.854 -1.858 39 HZ PHE 5 HZ PHE 5 -9.446 0.430 -1.342 40 H VAL 6 H VAL 6 -4.454 0.172 -6.236 41 HA VAL 6 HA VAL 6 -3.002 2.735 -6.183 42 HB VAL 6 HB VAL 6 -3.548 0.778 -3.962 43 1HG1 VAL 6 1HG1 VAL 6 -0.851 2.145 -4.166 44 2HG1 VAL 6 2HG1 VAL 6 -1.512 1.271 -2.751 45 3HG1 VAL 6 3HG1 VAL 6 -1.142 0.393 -4.247 46 1HG2 VAL 6 1HG2 VAL 6 -4.395 3.160 -4.137 47 2HG2 VAL 6 2HG2 VAL 6 -3.444 2.816 -2.658 48 3HG2 VAL 6 3HG2 VAL 6 -2.705 3.702 -4.011 49 H TYR 7 H TYR 7 -0.742 2.421 -6.510 50 HA TYR 7 HA TYR 7 0.200 -0.085 -7.757 51 1HB TYR 7 HB2 TYR 7 -0.195 2.666 -9.039 52 2HB TYR 7 HB3 TYR 7 0.695 1.388 -9.799 53 HD1 TYR 7 HD1 TYR 7 -0.688 -0.874 -10.168 54 HD2 TYR 7 HD2 TYR 7 -2.575 2.805 -9.047 55 HE1 TYR 7 HE1 TYR 7 -2.905 -1.755 -10.980 56 HE2 TYR 7 HE2 TYR 7 -4.736 1.863 -9.545 57 HH TYR 7 HH TYR 7 -5.920 -0.002 -10.414 58 H THR 8 H THR 8 2.565 0.758 -8.786 59 HA THR 8 HA THR 8 3.707 2.714 -6.838 60 HB THR 8 HB THR 8 5.851 1.210 -7.477 61 HG1 THR 8 HG1 THR 8 4.989 -0.369 -8.647 62 1HG2 THR 8 1HG2 THR 8 5.528 -0.109 -5.415 63 2HG2 THR 8 2HG2 THR 8 5.183 1.608 -5.196 64 3HG2 THR 8 3HG2 THR 8 3.826 0.462 -5.346 65 H CYS 9 H CYS 9 5.746 3.663 -7.763 66 HA CYS 9 HA CYS 9 5.713 3.825 -10.754 67 1HB CYS 9 HB2 CYS 9 5.483 6.117 -9.854 68 2HB CYS 9 HB3 CYS 9 6.786 5.832 -8.676 69 H ASN 10 H ASN 10 7.315 2.164 -11.187 70 HA ASN 10 HA ASN 10 9.070 1.337 -9.094 71 1HB ASN 10 HB2 ASN 10 8.207 -0.153 -10.947 72 2HB ASN 10 HB3 ASN 10 9.391 0.640 -12.019 73 1HD2 ASN 10 2HD2 ASN 10 11.078 -0.848 -12.227 74 2HD2 ASN 10 1HD2 ASN 10 11.821 -1.707 -10.886 75 H GLU 11 H GLU 11 9.177 4.203 -10.749 76 HA GLU 11 HA GLU 11 12.101 4.241 -10.633 77 1HB GLU 11 HB2 GLU 11 10.188 5.694 -12.287 78 2HB GLU 11 HB3 GLU 11 11.342 6.748 -11.473 79 1HG GLU 11 HG2 GLU 11 12.184 4.216 -13.014 80 2HG GLU 11 HG3 GLU 11 12.238 5.829 -13.704 81 H CYS 12 H CYS 12 9.236 5.353 -8.961 82 HA CYS 12 HA CYS 12 10.940 7.068 -7.205 83 1HB CYS 12 HB2 CYS 12 7.937 6.615 -7.062 84 2HB CYS 12 HB3 CYS 12 8.923 7.797 -6.180 85 H LYS 13 H LYS 13 9.395 3.996 -7.469 86 HA LYS 13 HA LYS 13 8.940 2.230 -6.152 87 1HB LYS 13 HB2 LYS 13 11.686 2.965 -5.037 88 2HB LYS 13 HB3 LYS 13 10.768 1.597 -4.457 89 1HG LYS 13 HG2 LYS 13 11.591 0.361 -6.100 90 2HG LYS 13 HG3 LYS 13 10.569 1.238 -7.217 91 1HD LYS 13 HD2 LYS 13 13.500 1.578 -6.649 92 2HD LYS 13 HD3 LYS 13 12.627 1.197 -8.155 93 1HE LYS 13 HE2 LYS 13 11.655 3.534 -8.010 94 2HE LYS 13 HE3 LYS 13 12.867 3.898 -6.786 95 1HZ LYS 13 HZ1 LYS 13 13.558 4.515 -9.016 96 2HZ LYS 13 HZ2 LYS 13 14.577 3.328 -8.510 97 3HZ LYS 13 HZ3 LYS 13 13.321 3.040 -9.578 98 H HIS 14 H HIS 14 7.545 4.317 -5.765 99 HA HIS 14 HA HIS 14 6.701 4.060 -2.962 100 1HB HIS 14 HB2 HIS 14 7.875 6.228 -3.099 101 2HB HIS 14 HB3 HIS 14 6.937 6.665 -4.531 102 HD2 HIS 14 HD2 HIS 14 4.920 8.185 -4.048 103 HE1 HIS 14 HE1 HIS 14 3.725 6.658 -0.272 104 HE2 HIS 14 HE2 HIS 14 3.185 8.332 -2.124 105 H HIS 15 H HIS 15 4.443 4.683 -2.815 106 HA HIS 15 HA HIS 15 2.897 3.350 -4.846 107 1HB HIS 15 HB2 HIS 15 2.153 4.620 -2.184 108 2HB HIS 15 HB3 HIS 15 0.954 4.031 -3.329 109 HD2 HIS 15 HD2 HIS 15 1.286 1.344 -4.106 110 HE1 HIS 15 HE1 HIS 15 2.640 0.272 -0.212 111 HE2 HIS 15 HE2 HIS 15 1.706 -0.637 -2.418 112 H VAL 16 H VAL 16 1.272 4.121 -6.074 113 HA VAL 16 HA VAL 16 0.780 7.006 -6.361 114 HB VAL 16 HB VAL 16 1.264 6.968 -8.734 115 1HG1 VAL 16 1HG1 VAL 16 3.660 6.473 -8.868 116 2HG1 VAL 16 2HG1 VAL 16 3.283 7.333 -7.358 117 3HG1 VAL 16 3HG1 VAL 16 3.639 5.575 -7.391 118 1HG2 VAL 16 1HG2 VAL 16 0.548 4.760 -9.405 119 2HG2 VAL 16 2HG2 VAL 16 2.208 4.989 -9.921 120 3HG2 VAL 16 3HG2 VAL 16 1.849 3.963 -8.517 121 H GLU 17 H GLU 17 -1.373 7.283 -7.539 122 HA GLU 17 HA GLU 17 -3.113 4.907 -7.100 123 1HB GLU 17 HB2 GLU 17 -4.897 6.686 -7.676 124 2HB GLU 17 HB3 GLU 17 -4.184 6.608 -6.056 125 1HG GLU 17 HG2 GLU 17 -4.465 8.928 -6.865 126 2HG GLU 17 HG3 GLU 17 -2.757 8.540 -6.555 127 H THR 18 H THR 18 -1.646 6.774 -9.607 128 HA THR 18 HA THR 18 -2.906 5.032 -11.647 129 HB THR 18 HB THR 18 -2.412 8.043 -11.666 130 HG1 THR 18 HG1 THR 18 -4.193 7.886 -10.694 131 1HG2 THR 18 1HG2 THR 18 -2.185 7.515 -13.966 132 2HG2 THR 18 2HG2 THR 18 -3.147 6.060 -13.859 133 3HG2 THR 18 3HG2 THR 18 -3.968 7.631 -13.845 134 H ARG 19 H ARG 19 -1.453 4.178 -13.109 135 HA ARG 19 HA ARG 19 1.294 5.303 -13.266 136 1HB ARG 19 HB2 ARG 19 2.401 3.202 -12.830 137 2HB ARG 19 HB3 ARG 19 1.324 3.475 -11.480 138 1HG ARG 19 HG2 ARG 19 -0.284 1.906 -12.375 139 2HG ARG 19 HG3 ARG 19 0.644 1.724 -13.902 140 1HD ARG 19 HD2 ARG 19 2.292 0.411 -12.970 141 2HD ARG 19 HD3 ARG 19 1.810 0.748 -11.326 142 HE ARG 19 HE ARG 19 -0.481 -0.271 -12.233 143 1HH1 ARG 19 1HH2 ARG 19 2.717 -1.774 -12.212 144 2HH1 ARG 19 2HH2 ARG 19 2.158 -3.305 -12.750 145 1HH2 ARG 19 2HH1 ARG 19 -1.222 -2.364 -12.984 146 2HH2 ARG 19 1HH1 ARG 19 -0.050 -3.632 -13.097 147 H TRP 20 H TRP 20 2.570 4.168 -14.863 148 HA TRP 20 HA TRP 20 1.159 3.144 -17.285 149 1HB TRP 20 HB2 TRP 20 3.852 4.490 -16.866 150 2HB TRP 20 HB3 TRP 20 3.217 3.884 -18.406 151 HD1 TRP 20 HD1 TRP 20 2.702 6.723 -15.887 152 HE1 TRP 20 HE1 TRP 20 1.190 8.514 -16.854 153 HE3 TRP 20 HE3 TRP 20 1.479 4.447 -20.277 154 HZ2 TRP 20 HZ2 TRP 20 -0.527 8.859 -19.127 155 HZ3 TRP 20 HZ3 TRP 20 -0.165 5.508 -21.827 156 HH2 TRP 20 HH2 TRP 20 -1.163 7.721 -21.267 157 H HIS 21 H HIS 21 1.851 0.965 -17.742 158 HA HIS 21 HA HIS 21 3.801 -0.218 -15.821 159 1HB HIS 21 HB2 HIS 21 1.866 -0.719 -14.756 160 2HB HIS 21 HB3 HIS 21 0.877 -0.766 -16.201 161 HD2 HIS 21 HD2 HIS 21 3.940 -3.056 -16.080 162 HE1 HIS 21 HE1 HIS 21 0.533 -5.556 -15.741 163 HE2 HIS 21 HE2 HIS 21 3.067 -5.503 -16.020 164 H CYS 22 H CYS 22 5.287 -1.273 -16.841 165 HA CYS 22 HA CYS 22 5.299 -1.848 -19.678 166 1HB CYS 22 HB2 CYS 22 7.100 -1.761 -17.339 167 2HB CYS 22 HB3 CYS 22 7.448 -3.119 -18.386 168 H THR 23 H THR 23 4.523 -3.541 -20.617 169 HA THR 23 HA THR 23 3.978 -6.006 -19.062 170 HB THR 23 HB THR 23 2.292 -6.597 -20.861 171 HG1 THR 23 HG1 THR 23 3.306 -4.361 -21.954 172 1HG2 THR 23 1HG2 THR 23 1.964 -3.931 -19.482 173 2HG2 THR 23 2HG2 THR 23 0.647 -5.057 -19.949 174 3HG2 THR 23 3HG2 THR 23 1.762 -5.490 -18.659 175 H VAL 24 H VAL 24 6.374 -4.979 -20.387 176 HA VAL 24 HA VAL 24 7.463 -7.126 -22.051 177 HB VAL 24 HB VAL 24 7.527 -4.909 -22.932 178 1HG1 VAL 24 1HG1 VAL 24 7.061 -3.166 -21.822 179 2HG1 VAL 24 2HG1 VAL 24 7.499 -3.842 -20.267 180 3HG1 VAL 24 3HG1 VAL 24 8.751 -3.137 -21.236 181 1HG2 VAL 24 1HG2 VAL 24 9.864 -4.285 -23.046 182 2HG2 VAL 24 2HG2 VAL 24 10.206 -5.145 -21.512 183 3HG2 VAL 24 3HG2 VAL 24 9.770 -6.062 -22.970 184 H CYS 25 H CYS 25 8.400 -4.883 -19.470 185 HA CYS 25 HA CYS 25 10.334 -6.533 -18.159 186 1HB CYS 25 HB2 CYS 25 8.792 -4.177 -16.995 187 2HB CYS 25 HB3 CYS 25 10.401 -4.712 -16.541 188 H GLU 26 H GLU 26 9.993 -6.923 -15.682 189 HA GLU 26 HA GLU 26 7.586 -8.524 -15.256 190 1HB GLU 26 HB2 GLU 26 10.279 -8.247 -13.963 191 2HB GLU 26 HB3 GLU 26 8.941 -8.631 -12.884 192 1HG GLU 26 HG2 GLU 26 8.244 -10.499 -14.272 193 2HG GLU 26 HG3 GLU 26 9.579 -10.212 -15.377 194 H ASP 27 H ASP 27 6.005 -6.902 -15.302 195 HA ASP 27 HA ASP 27 4.588 -5.330 -14.521 196 1HB ASP 27 HB2 ASP 27 4.226 -7.285 -13.019 197 2HB ASP 27 HB3 ASP 27 5.310 -6.549 -11.849 198 H TYR 28 H TYR 28 7.118 -4.326 -14.949 199 HA TYR 28 HA TYR 28 7.936 -2.494 -12.900 200 1HB TYR 28 HB2 TYR 28 9.382 -3.314 -14.765 201 2HB TYR 28 HB3 TYR 28 8.406 -2.440 -15.897 202 HD1 TYR 28 HD1 TYR 28 11.334 -2.281 -13.954 203 HD2 TYR 28 HD2 TYR 28 8.269 0.139 -15.731 204 HE1 TYR 28 HE1 TYR 28 12.843 -0.309 -13.826 205 HE2 TYR 28 HE2 TYR 28 9.763 2.114 -15.640 206 HH TYR 28 HH TYR 28 13.041 1.988 -14.209 207 H ASP 29 H ASP 29 7.462 -0.248 -12.742 208 HA ASP 29 HA ASP 29 4.996 0.635 -14.183 209 1HB ASP 29 HB2 ASP 29 5.548 1.642 -11.411 210 2HB ASP 29 HB3 ASP 29 4.038 1.322 -12.184 211 H LEU 30 H LEU 30 4.691 2.988 -14.129 212 HA LEU 30 HA LEU 30 6.807 4.641 -13.002 213 1HB LEU 30 HB2 LEU 30 5.929 4.735 -15.915 214 2HB LEU 30 HB3 LEU 30 6.735 6.048 -15.067 215 HG LEU 30 HG LEU 30 7.892 3.287 -15.640 216 1HD1 LEU 30 1HD1 LEU 30 7.771 4.802 -17.581 217 2HD1 LEU 30 2HD1 LEU 30 8.662 6.050 -16.663 218 3HD1 LEU 30 3HD1 LEU 30 9.451 4.529 -17.087 219 1HD2 LEU 30 1HD2 LEU 30 8.825 4.236 -13.459 220 2HD2 LEU 30 2HD2 LEU 30 10.036 4.135 -14.744 221 3HD2 LEU 30 3HD2 LEU 30 9.284 5.687 -14.359 222 H CYS 31 H CYS 31 5.864 6.475 -12.051 223 HA CYS 31 HA CYS 31 3.034 7.030 -12.302 224 1HB CYS 31 HB2 CYS 31 3.616 9.087 -11.110 225 2HB CYS 31 HB3 CYS 31 4.339 7.732 -10.285 226 H ILE 32 H ILE 32 2.354 9.208 -13.052 227 HA ILE 32 HA ILE 32 2.718 9.369 -15.766 228 HB ILE 32 HB ILE 32 1.880 11.664 -13.947 229 1HG1 ILE 32 2HG1 ILE 32 0.420 9.792 -13.344 230 2HG1 ILE 32 3HG1 ILE 32 -0.427 11.015 -14.241 231 1HG2 ILE 32 1HG2 ILE 32 0.485 12.191 -16.028 232 2HG2 ILE 32 2HG2 ILE 32 2.238 12.469 -16.134 233 3HG2 ILE 32 3HG2 ILE 32 1.520 11.030 -16.894 234 1HD1 ILE 32 1HD1 ILE 32 -0.127 9.502 -16.337 235 2HD1 ILE 32 2HD1 ILE 32 0.286 8.224 -15.133 236 3HD1 ILE 32 3HD1 ILE 32 -1.279 9.036 -15.112 237 H ASN 33 H ASN 33 4.374 11.320 -13.270 238 HA ASN 33 HA ASN 33 5.744 13.056 -15.082 239 1HB ASN 33 HB2 ASN 33 5.547 13.858 -12.884 240 2HB ASN 33 HB3 ASN 33 5.973 12.324 -12.139 241 1HD2 ASN 33 2HD2 ASN 33 8.181 11.817 -11.715 242 2HD2 ASN 33 1HD2 ASN 33 9.440 12.988 -12.002 243 H CYS 34 H CYS 34 6.769 10.009 -13.494 244 HA CYS 34 HA CYS 34 9.419 10.111 -14.642 245 1HB CYS 34 HB2 CYS 34 7.760 7.922 -13.333 246 2HB CYS 34 HB3 CYS 34 9.366 7.657 -14.031 247 H TYR 35 H TYR 35 6.347 8.491 -15.657 248 HA TYR 35 HA TYR 35 7.424 7.258 -17.949 249 1HB TYR 35 HB2 TYR 35 5.196 6.766 -17.159 250 2HB TYR 35 HB3 TYR 35 4.637 8.404 -17.521 251 HD1 TYR 35 HD1 TYR 35 6.283 5.478 -19.237 252 HD2 TYR 35 HD2 TYR 35 3.442 8.725 -19.517 253 HE1 TYR 35 HE1 TYR 35 5.649 4.718 -21.496 254 HE2 TYR 35 HE2 TYR 35 2.847 7.996 -21.813 255 HH TYR 35 HH TYR 35 4.290 5.081 -23.297 256 H ASN 36 H ASN 36 6.177 10.555 -17.513 257 HA ASN 36 HA ASN 36 6.436 11.497 -20.134 258 1HB ASN 36 HB2 ASN 36 6.057 12.669 -17.417 259 2HB ASN 36 HB3 ASN 36 6.757 13.776 -18.534 260 1HD2 ASN 36 2HD2 ASN 36 3.959 11.750 -17.912 261 2HD2 ASN 36 1HD2 ASN 36 2.856 12.606 -19.008 262 H THR 37 H THR 37 9.043 10.782 -17.974 263 HA THR 37 HA THR 37 10.888 12.574 -19.523 264 HB THR 37 HB THR 37 12.178 12.781 -17.382 265 HG1 THR 37 HG1 THR 37 9.793 12.066 -16.050 266 1HG2 THR 37 1HG2 THR 37 10.733 14.554 -16.430 267 2HG2 THR 37 2HG2 THR 37 10.681 14.593 -18.200 268 3HG2 THR 37 3HG2 THR 37 9.337 13.896 -17.284 269 H LYS 38 H LYS 38 10.734 9.644 -17.559 270 HA LYS 38 HA LYS 38 13.287 8.641 -18.231 271 1HB LYS 38 HB2 LYS 38 10.856 7.077 -17.262 272 2HB LYS 38 HB3 LYS 38 12.535 6.593 -17.121 273 1HG LYS 38 HG2 LYS 38 11.325 9.048 -15.741 274 2HG LYS 38 HG3 LYS 38 11.433 7.453 -15.012 275 1HD LYS 38 HD2 LYS 38 13.863 7.594 -14.943 276 2HD LYS 38 HD3 LYS 38 13.863 9.025 -15.969 277 1HE LYS 38 HE2 LYS 38 14.218 9.730 -13.675 278 2HE LYS 38 HE3 LYS 38 12.626 10.298 -14.217 279 1HZ LYS 38 HZ1 LYS 38 12.628 9.349 -11.957 280 2HZ LYS 38 HZ2 LYS 38 11.634 8.508 -12.911 281 3HZ LYS 38 HZ3 LYS 38 13.142 7.941 -12.536 282 H SER 39 H SER 39 10.742 8.997 -20.346 283 HA SER 39 HA SER 39 10.039 8.057 -22.229 284 1HB SER 39 HB2 SER 39 13.055 7.993 -22.645 285 2HB SER 39 HB3 SER 39 11.821 8.089 -23.917 286 HG SER 39 HG SER 39 12.387 10.038 -21.909 287 H HIS 40 H HIS 40 9.671 5.990 -20.539 288 HA HIS 40 HA HIS 40 10.997 3.557 -21.376 289 1HB HIS 40 HB2 HIS 40 9.208 4.352 -19.325 290 2HB HIS 40 HB3 HIS 40 8.347 3.139 -20.263 291 HD1 HIS 40 HD1 HIS 40 11.372 3.468 -17.946 292 HD2 HIS 40 HD2 HIS 40 9.435 0.682 -20.406 293 HE1 HIS 40 HE1 HIS 40 12.241 1.161 -17.244 294 H THR 41 H THR 41 10.883 2.948 -23.361 295 HA THR 41 HA THR 41 8.664 3.771 -25.022 296 HB THR 41 HB THR 41 10.865 2.295 -26.298 297 HG1 THR 41 HG1 THR 41 11.689 4.442 -24.684 298 1HG2 THR 41 1HG2 THR 41 9.424 4.015 -27.401 299 2HG2 THR 41 2HG2 THR 41 10.160 5.272 -26.395 300 3HG2 THR 41 3HG2 THR 41 11.150 4.351 -27.563 301 H HIS 42 H HIS 42 8.828 1.053 -23.135 302 HA HIS 42 HA HIS 42 8.573 -0.931 -25.250 303 1HB HIS 42 HB2 HIS 42 8.194 -1.162 -22.273 304 2HB HIS 42 HB3 HIS 42 8.538 -2.451 -23.458 305 HD2 HIS 42 HD2 HIS 42 11.132 -0.911 -24.800 306 HE1 HIS 42 HE1 HIS 42 12.693 -0.982 -20.828 307 HE2 HIS 42 HE2 HIS 42 13.303 -0.731 -23.307 308 H LYS 43 H LYS 43 6.872 -2.638 -24.888 309 HA LYS 43 HA LYS 43 4.313 -1.451 -25.325 310 1HB LYS 43 HB2 LYS 43 5.338 -3.569 -26.298 311 2HB LYS 43 HB3 LYS 43 4.847 -4.415 -24.826 312 1HG LYS 43 HG2 LYS 43 2.873 -2.787 -26.415 313 2HG LYS 43 HG3 LYS 43 3.380 -4.364 -27.018 314 1HD LYS 43 HD2 LYS 43 1.609 -5.162 -25.859 315 2HD LYS 43 HD3 LYS 43 2.717 -5.106 -24.492 316 1HE LYS 43 HE2 LYS 43 1.934 -2.680 -24.133 317 2HE LYS 43 HE3 LYS 43 0.702 -2.954 -25.339 318 1HZ LYS 43 HZ1 LYS 43 -0.021 -3.213 -23.081 319 2HZ LYS 43 HZ2 LYS 43 -0.255 -4.647 -23.895 320 3HZ LYS 43 HZ3 LYS 43 0.984 -4.468 -22.828 321 H MET 44 H MET 44 3.489 -0.367 -23.672 322 HA MET 44 HA MET 44 3.302 -1.586 -20.956 323 1HB MET 44 HB2 MET 44 3.370 1.257 -22.012 324 2HB MET 44 HB3 MET 44 2.756 0.907 -20.390 325 1HG MET 44 HG2 MET 44 4.645 0.094 -19.569 326 2HG MET 44 HG3 MET 44 5.472 -0.115 -21.124 327 1HE MET 44 HE1 MET 44 6.168 2.960 -18.066 328 2HE MET 44 HE2 MET 44 4.633 2.090 -18.019 329 3HE MET 44 HE3 MET 44 6.131 1.173 -18.121 330 H VAL 45 H VAL 45 1.342 -0.509 -19.759 331 HA VAL 45 HA VAL 45 -1.175 -0.274 -21.178 332 HB VAL 45 HB VAL 45 -2.121 -1.516 -19.238 333 1HG1 VAL 45 1HG1 VAL 45 -1.926 -3.698 -20.177 334 2HG1 VAL 45 2HG1 VAL 45 -1.883 -2.544 -21.523 335 3HG1 VAL 45 3HG1 VAL 45 -0.364 -3.329 -20.952 336 1HG2 VAL 45 1HG2 VAL 45 0.692 -2.513 -18.784 337 2HG2 VAL 45 2HG2 VAL 45 -0.329 -1.544 -17.717 338 3HG2 VAL 45 3HG2 VAL 45 -0.745 -3.248 -18.082 339 H LYS 46 H LYS 46 -2.643 0.711 -19.182 340 HA LYS 46 HA LYS 46 -1.052 2.317 -17.322 341 1HB LYS 46 HB2 LYS 46 -1.313 3.591 -19.539 342 2HB LYS 46 HB3 LYS 46 -3.042 3.606 -19.254 343 1HG LYS 46 HG2 LYS 46 -0.991 4.872 -17.368 344 2HG LYS 46 HG3 LYS 46 -1.716 5.675 -18.729 345 1HD LYS 46 HD2 LYS 46 -4.027 5.263 -17.622 346 2HD LYS 46 HD3 LYS 46 -3.120 4.823 -16.176 347 1HE LYS 46 HE2 LYS 46 -3.558 7.117 -15.984 348 2HE LYS 46 HE3 LYS 46 -1.838 6.990 -16.401 349 1HZ LYS 46 HZ1 LYS 46 -4.101 7.715 -18.171 350 2HZ LYS 46 HZ2 LYS 46 -3.012 8.709 -17.629 351 3HZ LYS 46 HZ3 LYS 46 -2.532 7.579 -18.719 352 H TRP 47 H TRP 47 -2.231 2.599 -15.491 353 HA TRP 47 HA TRP 47 -5.053 1.691 -15.465 354 1HB TRP 47 HB2 TRP 47 -2.987 0.942 -13.349 355 2HB TRP 47 HB3 TRP 47 -4.653 0.376 -13.488 356 HD1 TRP 47 HD1 TRP 47 -1.166 -0.382 -14.488 357 HE1 TRP 47 HE1 TRP 47 -1.023 -2.463 -15.989 358 HE3 TRP 47 HE3 TRP 47 -6.064 -0.737 -15.845 359 HZ2 TRP 47 HZ2 TRP 47 -2.734 -3.808 -17.858 360 HZ3 TRP 47 HZ3 TRP 47 -6.728 -2.331 -17.665 361 HH2 TRP 47 HH2 TRP 47 -5.099 -3.879 -18.613 362 H GLY 48 H GLY 48 -6.229 3.321 -14.379 363 1HA GLY 48 HA2 GLY 48 -4.794 5.145 -12.625 364 2HA GLY 48 HA3 GLY 48 -5.420 5.833 -14.141 365 H LEU 49 H LEU 49 -5.978 6.339 -11.425 366 HA LEU 49 HA LEU 49 -8.884 5.897 -11.412 367 1HB LEU 49 HB2 LEU 49 -6.885 5.116 -9.266 368 2HB LEU 49 HB3 LEU 49 -8.487 5.591 -8.790 369 HG LEU 49 HG LEU 49 -8.578 3.379 -8.794 370 1HD1 LEU 49 1HD1 LEU 49 -9.793 3.866 -11.515 371 2HD1 LEU 49 2HD1 LEU 49 -10.263 2.664 -10.296 372 3HD1 LEU 49 3HD1 LEU 49 -10.539 4.386 -9.997 373 1HD2 LEU 49 1HD2 LEU 49 -7.786 1.753 -10.159 374 2HD2 LEU 49 2HD2 LEU 49 -7.625 2.780 -11.571 375 3HD2 LEU 49 3HD2 LEU 49 -6.480 2.981 -10.214 376 H GLY 50 H GLY 50 -6.398 8.243 -11.313 377 1HA GLY 50 HA2 GLY 50 -8.392 10.181 -10.379 378 2HA GLY 50 HA3 GLY 50 -7.001 9.999 -9.300 379 H LEU 51 H LEU 51 -4.824 9.931 -10.734 380 HA LEU 51 HA LEU 51 -4.777 12.480 -12.261 381 1HB LEU 51 HB2 LEU 51 -2.653 10.842 -10.810 382 2HB LEU 51 HB3 LEU 51 -2.264 12.123 -11.925 383 HG LEU 51 HG LEU 51 -3.382 13.803 -10.551 384 1HD1 LEU 51 1HD1 LEU 51 -3.938 11.472 -8.661 385 2HD1 LEU 51 2HD1 LEU 51 -3.989 13.180 -8.137 386 3HD1 LEU 51 3HD1 LEU 51 -5.121 12.612 -9.359 387 1HD2 LEU 51 1HD2 LEU 51 -1.437 12.058 -8.986 388 2HD2 LEU 51 2HD2 LEU 51 -0.983 13.265 -10.219 389 3HD2 LEU 51 3HD2 LEU 51 -1.735 13.800 -8.722 390 H ASP 52 H ASP 52 -5.894 11.129 -14.053 391 HA ASP 52 HA ASP 52 -4.224 9.080 -15.299 392 1HB ASP 52 HB2 ASP 52 -6.834 9.203 -15.236 393 2HB ASP 52 HB3 ASP 52 -6.644 10.216 -16.670 Start of MODEL 3 1 1H GLY 1 H1 GLY 1 5.049 -3.263 -9.410 2 2H GLY 1 H2 GLY 1 3.738 -3.638 -10.337 3 3H GLY 1 H3 GLY 1 4.004 -2.089 -9.909 4 1HA GLY 1 HA2 GLY 1 3.269 -4.290 -8.127 5 2HA GLY 1 HA3 GLY 1 3.651 -2.644 -7.568 6 H GLN 2 H GLN 2 0.972 -4.306 -7.499 7 HA GLN 2 HA GLN 2 -0.655 -2.062 -8.368 8 1HB GLN 2 HB2 GLN 2 -2.130 -3.716 -9.735 9 2HB GLN 2 HB3 GLN 2 -0.672 -3.057 -10.458 10 1HG GLN 2 HG2 GLN 2 0.525 -5.198 -10.047 11 2HG GLN 2 HG3 GLN 2 -0.954 -5.871 -9.362 12 1HE2 GLN 2 2HE2 GLN 2 0.844 -5.701 -12.227 13 2HE2 GLN 2 1HE2 GLN 2 -0.461 -6.093 -13.339 14 H ASP 3 H ASP 3 -2.732 -2.101 -7.795 15 HA ASP 3 HA ASP 3 -3.993 -3.956 -5.918 16 1HB ASP 3 HB2 ASP 3 -3.006 -2.380 -4.340 17 2HB ASP 3 HB3 ASP 3 -3.394 -1.000 -5.367 18 H ARG 4 H ARG 4 -6.397 -3.108 -5.857 19 HA ARG 4 HA ARG 4 -7.298 -2.851 -8.533 20 1HB ARG 4 HB2 ARG 4 -9.564 -2.466 -7.503 21 2HB ARG 4 HB3 ARG 4 -8.734 -3.964 -7.135 22 1HG ARG 4 HG2 ARG 4 -9.900 -3.168 -5.205 23 2HG ARG 4 HG3 ARG 4 -8.166 -3.228 -4.889 24 1HD ARG 4 HD2 ARG 4 -8.023 -0.800 -4.994 25 2HD ARG 4 HD3 ARG 4 -9.674 -0.678 -5.634 26 HE ARG 4 HE ARG 4 -10.530 -0.836 -3.543 27 1HH1 ARG 4 1HH2 ARG 4 -7.044 -1.625 -3.264 28 2HH1 ARG 4 2HH2 ARG 4 -7.007 -1.605 -1.589 29 1HH2 ARG 4 1HH1 ARG 4 -10.496 -0.757 -1.277 30 2HH2 ARG 4 2HH1 ARG 4 -9.010 -0.993 -0.413 31 H PHE 5 H PHE 5 -6.453 -0.232 -6.268 32 HA PHE 5 HA PHE 5 -6.817 1.571 -8.529 33 1HB PHE 5 HB2 PHE 5 -8.052 3.262 -7.333 34 2HB PHE 5 HB3 PHE 5 -8.966 1.814 -7.662 35 HD1 PHE 5 HD1 PHE 5 -10.692 2.480 -6.136 36 HD2 PHE 5 HD2 PHE 5 -6.675 1.911 -4.660 37 HE1 PHE 5 HE1 PHE 5 -11.540 2.519 -3.805 38 HE2 PHE 5 HE2 PHE 5 -7.501 2.019 -2.368 39 HZ PHE 5 HZ PHE 5 -9.941 2.318 -1.911 40 H VAL 6 H VAL 6 -4.650 0.385 -6.717 41 HA VAL 6 HA VAL 6 -3.149 2.887 -6.404 42 HB VAL 6 HB VAL 6 -3.955 1.034 -4.189 43 1HG1 VAL 6 1HG1 VAL 6 -1.632 0.357 -4.296 44 2HG1 VAL 6 2HG1 VAL 6 -1.113 2.057 -4.304 45 3HG1 VAL 6 3HG1 VAL 6 -1.934 1.355 -2.871 46 1HG2 VAL 6 1HG2 VAL 6 -4.676 3.335 -4.392 47 2HG2 VAL 6 2HG2 VAL 6 -3.656 3.111 -2.946 48 3HG2 VAL 6 3HG2 VAL 6 -3.020 3.901 -4.451 49 H TYR 7 H TYR 7 -0.993 2.576 -6.692 50 HA TYR 7 HA TYR 7 -0.010 0.047 -7.850 51 1HB TYR 7 HB2 TYR 7 -0.455 2.751 -9.216 52 2HB TYR 7 HB3 TYR 7 0.493 1.474 -9.921 53 HD1 TYR 7 HD1 TYR 7 -0.849 -0.849 -10.227 54 HD2 TYR 7 HD2 TYR 7 -2.826 2.868 -9.350 55 HE1 TYR 7 HE1 TYR 7 -2.986 -1.775 -11.105 56 HE2 TYR 7 HE2 TYR 7 -4.950 1.900 -9.896 57 HH TYR 7 HH TYR 7 -6.073 -0.035 -10.811 58 H THR 8 H THR 8 2.333 0.998 -8.881 59 HA THR 8 HA THR 8 3.596 2.853 -6.933 60 HB THR 8 HB THR 8 5.665 1.212 -7.535 61 HG1 THR 8 HG1 THR 8 4.788 -0.339 -8.685 62 1HG2 THR 8 1HG2 THR 8 5.231 1.590 -5.294 63 2HG2 THR 8 2HG2 THR 8 3.609 0.800 -5.374 64 3HG2 THR 8 3HG2 THR 8 5.114 -0.149 -5.476 65 H CYS 9 H CYS 9 5.706 3.601 -7.851 66 HA CYS 9 HA CYS 9 5.764 3.788 -10.846 67 1HB CYS 9 HB2 CYS 9 5.513 6.086 -9.901 68 2HB CYS 9 HB3 CYS 9 6.813 5.769 -8.740 69 H ASN 10 H ASN 10 7.345 2.133 -11.219 70 HA ASN 10 HA ASN 10 9.107 1.318 -9.107 71 1HB ASN 10 HB2 ASN 10 8.214 -0.220 -10.916 72 2HB ASN 10 HB3 ASN 10 9.338 0.584 -12.036 73 1HD2 ASN 10 2HD2 ASN 10 11.048 -0.905 -12.286 74 2HD2 ASN 10 1HD2 ASN 10 11.821 -1.741 -10.949 75 H GLU 11 H GLU 11 9.172 4.160 -10.814 76 HA GLU 11 HA GLU 11 12.091 4.205 -10.746 77 1HB GLU 11 HB2 GLU 11 10.178 5.720 -12.352 78 2HB GLU 11 HB3 GLU 11 11.360 6.739 -11.533 79 1HG GLU 11 HG2 GLU 11 12.158 4.265 -13.111 80 2HG GLU 11 HG3 GLU 11 12.173 5.883 -13.786 81 H CYS 12 H CYS 12 9.271 5.333 -9.012 82 HA CYS 12 HA CYS 12 10.959 7.039 -7.231 83 1HB CYS 12 HB2 CYS 12 7.958 6.573 -7.154 84 2HB CYS 12 HB3 CYS 12 8.898 7.783 -6.260 85 H LYS 13 H LYS 13 9.423 3.955 -7.526 86 HA LYS 13 HA LYS 13 8.887 2.202 -6.183 87 1HB LYS 13 HB2 LYS 13 11.668 2.913 -5.115 88 2HB LYS 13 HB3 LYS 13 10.731 1.535 -4.540 89 1HG LYS 13 HG2 LYS 13 11.483 0.306 -6.244 90 2HG LYS 13 HG3 LYS 13 10.546 1.298 -7.342 91 1HD LYS 13 HD2 LYS 13 13.507 1.505 -6.698 92 2HD LYS 13 HD3 LYS 13 12.667 1.115 -8.208 93 1HE LYS 13 HE2 LYS 13 11.688 3.489 -8.073 94 2HE LYS 13 HE3 LYS 13 12.965 3.833 -6.900 95 1HZ LYS 13 HZ1 LYS 13 14.563 3.194 -8.729 96 2HZ LYS 13 HZ2 LYS 13 13.260 2.950 -9.719 97 3HZ LYS 13 HZ3 LYS 13 13.578 4.419 -9.168 98 H HIS 14 H HIS 14 7.554 4.338 -5.795 99 HA HIS 14 HA HIS 14 6.658 3.942 -3.041 100 1HB HIS 14 HB2 HIS 14 7.799 6.129 -2.961 101 2HB HIS 14 HB3 HIS 14 6.890 6.682 -4.362 102 HD2 HIS 14 HD2 HIS 14 4.751 7.990 -3.849 103 HE1 HIS 14 HE1 HIS 14 3.601 6.170 -0.181 104 HE2 HIS 14 HE2 HIS 14 2.925 7.828 -1.997 105 H HIS 15 H HIS 15 4.389 4.675 -2.942 106 HA HIS 15 HA HIS 15 2.853 3.360 -4.956 107 1HB HIS 15 HB2 HIS 15 1.594 3.051 -3.132 108 2HB HIS 15 HB3 HIS 15 2.527 4.223 -2.220 109 HD2 HIS 15 HD2 HIS 15 -0.571 4.098 -4.534 110 HE1 HIS 15 HE1 HIS 15 -0.856 7.680 -2.291 111 HE2 HIS 15 HE2 HIS 15 -2.059 6.157 -3.941 112 H VAL 16 H VAL 16 1.122 4.250 -6.177 113 HA VAL 16 HA VAL 16 0.786 7.105 -6.517 114 HB VAL 16 HB VAL 16 1.217 7.084 -8.909 115 1HG1 VAL 16 1HG1 VAL 16 3.303 7.325 -7.704 116 2HG1 VAL 16 2HG1 VAL 16 3.554 5.563 -7.675 117 3HG1 VAL 16 3HG1 VAL 16 3.531 6.405 -9.208 118 1HG2 VAL 16 1HG2 VAL 16 0.290 4.907 -9.582 119 2HG2 VAL 16 2HG2 VAL 16 1.921 5.106 -10.197 120 3HG2 VAL 16 3HG2 VAL 16 1.625 4.064 -8.787 121 H GLU 17 H GLU 17 -1.398 7.492 -7.556 122 HA GLU 17 HA GLU 17 -3.207 5.194 -7.170 123 1HB GLU 17 HB2 GLU 17 -4.903 6.704 -7.110 124 2HB GLU 17 HB3 GLU 17 -3.597 7.598 -6.359 125 1HG GLU 17 HG2 GLU 17 -4.734 7.973 -9.138 126 2HG GLU 17 HG3 GLU 17 -4.874 9.084 -7.811 127 H THR 18 H THR 18 -1.588 7.008 -9.754 128 HA THR 18 HA THR 18 -2.878 5.192 -11.747 129 HB THR 18 HB THR 18 -2.207 8.142 -12.139 130 HG1 THR 18 HG1 THR 18 -3.770 8.354 -10.972 131 1HG2 THR 18 1HG2 THR 18 -4.088 6.499 -13.906 132 2HG2 THR 18 2HG2 THR 18 -3.291 8.040 -14.240 133 3HG2 THR 18 3HG2 THR 18 -2.344 6.566 -14.228 134 H ARG 19 H ARG 19 -1.482 4.199 -13.188 135 HA ARG 19 HA ARG 19 1.286 5.236 -13.328 136 1HB ARG 19 HB2 ARG 19 2.353 3.165 -12.843 137 2HB ARG 19 HB3 ARG 19 1.204 3.383 -11.533 138 1HG ARG 19 HG2 ARG 19 -0.397 1.872 -12.608 139 2HG ARG 19 HG3 ARG 19 0.686 1.658 -13.988 140 1HD ARG 19 HD2 ARG 19 2.195 0.329 -12.918 141 2HD ARG 19 HD3 ARG 19 1.644 0.712 -11.306 142 HE ARG 19 HE ARG 19 -0.627 -0.300 -12.336 143 1HH1 ARG 19 1HH2 ARG 19 2.609 -1.749 -12.212 144 2HH1 ARG 19 2HH2 ARG 19 2.093 -3.296 -12.737 145 1HH2 ARG 19 2HH1 ARG 19 -1.315 -2.439 -13.053 146 2HH2 ARG 19 1HH1 ARG 19 -0.103 -3.649 -13.201 147 H TRP 20 H TRP 20 2.564 4.145 -14.902 148 HA TRP 20 HA TRP 20 1.207 3.134 -17.366 149 1HB TRP 20 HB2 TRP 20 3.870 4.508 -16.863 150 2HB TRP 20 HB3 TRP 20 3.295 3.878 -18.412 151 HD1 TRP 20 HD1 TRP 20 2.611 6.728 -15.919 152 HE1 TRP 20 HE1 TRP 20 0.941 8.374 -16.879 153 HE3 TRP 20 HE3 TRP 20 1.742 4.432 -20.389 154 HZ2 TRP 20 HZ2 TRP 20 -0.558 8.729 -19.322 155 HZ3 TRP 20 HZ3 TRP 20 0.177 5.445 -22.020 156 HH2 TRP 20 HH2 TRP 20 -0.995 7.602 -21.500 157 H HIS 21 H HIS 21 1.823 0.939 -17.747 158 HA HIS 21 HA HIS 21 3.694 -0.273 -15.769 159 1HB HIS 21 HB2 HIS 21 1.659 -0.741 -14.806 160 2HB HIS 21 HB3 HIS 21 0.800 -0.775 -16.305 161 HD2 HIS 21 HD2 HIS 21 3.805 -3.131 -15.970 162 HE1 HIS 21 HE1 HIS 21 0.306 -5.519 -15.750 163 HE2 HIS 21 HE2 HIS 21 2.850 -5.570 -15.872 164 H CYS 22 H CYS 22 5.236 -1.316 -16.787 165 HA CYS 22 HA CYS 22 5.282 -1.954 -19.606 166 1HB CYS 22 HB2 CYS 22 7.007 -1.903 -17.208 167 2HB CYS 22 HB3 CYS 22 7.372 -3.220 -18.326 168 H THR 23 H THR 23 4.485 -3.582 -20.569 169 HA THR 23 HA THR 23 4.015 -6.079 -19.000 170 HB THR 23 HB THR 23 2.287 -6.747 -20.629 171 HG1 THR 23 HG1 THR 23 3.196 -4.512 -21.887 172 1HG2 THR 23 1HG2 THR 23 2.018 -4.018 -19.398 173 2HG2 THR 23 2HG2 THR 23 0.658 -5.123 -19.787 174 3HG2 THR 23 3HG2 THR 23 1.817 -5.553 -18.520 175 H VAL 24 H VAL 24 6.353 -5.005 -20.348 176 HA VAL 24 HA VAL 24 7.426 -7.105 -22.065 177 HB VAL 24 HB VAL 24 7.508 -4.884 -22.908 178 1HG1 VAL 24 1HG1 VAL 24 6.989 -3.171 -21.799 179 2HG1 VAL 24 2HG1 VAL 24 7.427 -3.847 -20.252 180 3HG1 VAL 24 3HG1 VAL 24 8.675 -3.099 -21.176 181 1HG2 VAL 24 1HG2 VAL 24 9.875 -4.232 -22.946 182 2HG2 VAL 24 2HG2 VAL 24 10.167 -5.099 -21.434 183 3HG2 VAL 24 3HG2 VAL 24 9.806 -6.016 -22.921 184 H CYS 25 H CYS 25 8.299 -4.903 -19.406 185 HA CYS 25 HA CYS 25 10.227 -6.623 -18.157 186 1HB CYS 25 HB2 CYS 25 8.757 -4.267 -16.949 187 2HB CYS 25 HB3 CYS 25 10.381 -4.820 -16.554 188 H GLU 26 H GLU 26 9.870 -7.010 -15.656 189 HA GLU 26 HA GLU 26 7.375 -8.491 -15.278 190 1HB GLU 26 HB2 GLU 26 10.074 -8.437 -14.024 191 2HB GLU 26 HB3 GLU 26 8.743 -8.744 -12.921 192 1HG GLU 26 HG2 GLU 26 7.902 -10.562 -14.378 193 2HG GLU 26 HG3 GLU 26 9.267 -10.330 -15.462 194 H ASP 27 H ASP 27 5.796 -6.990 -15.114 195 HA ASP 27 HA ASP 27 4.473 -5.346 -14.338 196 1HB ASP 27 HB2 ASP 27 4.165 -7.268 -12.821 197 2HB ASP 27 HB3 ASP 27 5.245 -6.511 -11.657 198 H TYR 28 H TYR 28 7.034 -4.363 -14.822 199 HA TYR 28 HA TYR 28 7.907 -2.488 -12.839 200 1HB TYR 28 HB2 TYR 28 9.292 -3.406 -14.699 201 2HB TYR 28 HB3 TYR 28 8.308 -2.529 -15.854 202 HD1 TYR 28 HD1 TYR 28 11.381 -2.409 -14.061 203 HD2 TYR 28 HD2 TYR 28 8.190 0.055 -15.605 204 HE1 TYR 28 HE1 TYR 28 12.823 -0.404 -13.868 205 HE2 TYR 28 HE2 TYR 28 9.664 2.040 -15.486 206 HH TYR 28 HH TYR 28 11.623 2.855 -14.686 207 H ASP 29 H ASP 29 7.432 -0.234 -12.692 208 HA ASP 29 HA ASP 29 4.957 0.628 -14.124 209 1HB ASP 29 HB2 ASP 29 5.481 1.618 -11.355 210 2HB ASP 29 HB3 ASP 29 3.980 1.319 -12.187 211 H LEU 30 H LEU 30 4.645 2.950 -14.122 212 HA LEU 30 HA LEU 30 6.775 4.617 -13.027 213 1HB LEU 30 HB2 LEU 30 5.888 4.715 -15.941 214 2HB LEU 30 HB3 LEU 30 6.686 6.019 -15.103 215 HG LEU 30 HG LEU 30 7.799 3.242 -15.612 216 1HD1 LEU 30 1HD1 LEU 30 8.713 5.936 -16.735 217 2HD1 LEU 30 2HD1 LEU 30 9.345 4.317 -17.139 218 3HD1 LEU 30 3HD1 LEU 30 7.692 4.759 -17.597 219 1HD2 LEU 30 1HD2 LEU 30 9.999 4.105 -14.774 220 2HD2 LEU 30 2HD2 LEU 30 9.232 5.672 -14.427 221 3HD2 LEU 30 3HD2 LEU 30 8.796 4.214 -13.508 222 H CYS 31 H CYS 31 5.897 6.448 -12.072 223 HA CYS 31 HA CYS 31 3.072 6.987 -12.178 224 1HB CYS 31 HB2 CYS 31 3.653 9.084 -11.113 225 2HB CYS 31 HB3 CYS 31 4.463 7.797 -10.249 226 H ILE 32 H ILE 32 2.377 9.218 -12.972 227 HA ILE 32 HA ILE 32 2.697 9.310 -15.737 228 HB ILE 32 HB ILE 32 1.847 11.654 -13.977 229 1HG1 ILE 32 2HG1 ILE 32 0.522 9.865 -13.154 230 2HG1 ILE 32 3HG1 ILE 32 -0.465 10.878 -14.210 231 1HG2 ILE 32 1HG2 ILE 32 2.187 12.268 -16.267 232 2HG2 ILE 32 2HG2 ILE 32 1.333 10.840 -16.870 233 3HG2 ILE 32 3HG2 ILE 32 0.421 12.115 -16.014 234 1HD1 ILE 32 1HD1 ILE 32 -0.318 9.177 -15.991 235 2HD1 ILE 32 2HD1 ILE 32 0.638 8.134 -14.912 236 3HD1 ILE 32 3HD1 ILE 32 -1.032 8.563 -14.512 237 H ASN 33 H ASN 33 4.302 11.345 -13.273 238 HA ASN 33 HA ASN 33 5.651 13.033 -15.143 239 1HB ASN 33 HB2 ASN 33 5.508 13.825 -12.887 240 2HB ASN 33 HB3 ASN 33 6.066 12.291 -12.206 241 1HD2 ASN 33 2HD2 ASN 33 8.289 11.784 -12.071 242 2HD2 ASN 33 1HD2 ASN 33 9.495 13.040 -12.319 243 H CYS 34 H CYS 34 6.714 10.031 -13.524 244 HA CYS 34 HA CYS 34 9.348 10.132 -14.668 245 1HB CYS 34 HB2 CYS 34 7.720 7.942 -13.315 246 2HB CYS 34 HB3 CYS 34 9.294 7.638 -14.092 247 H TYR 35 H TYR 35 6.256 8.537 -15.703 248 HA TYR 35 HA TYR 35 7.367 7.196 -17.921 249 1HB TYR 35 HB2 TYR 35 5.089 6.796 -17.143 250 2HB TYR 35 HB3 TYR 35 4.606 8.436 -17.592 251 HD1 TYR 35 HD1 TYR 35 6.297 5.450 -19.184 252 HD2 TYR 35 HD2 TYR 35 3.394 8.611 -19.588 253 HE1 TYR 35 HE1 TYR 35 5.797 4.655 -21.460 254 HE2 TYR 35 HE2 TYR 35 2.880 7.811 -21.902 255 HH TYR 35 HH TYR 35 4.479 4.954 -23.311 256 H ASN 36 H ASN 36 6.098 10.514 -17.576 257 HA ASN 36 HA ASN 36 6.411 11.430 -20.195 258 1HB ASN 36 HB2 ASN 36 5.956 12.581 -17.453 259 2HB ASN 36 HB3 ASN 36 6.586 13.709 -18.592 260 1HD2 ASN 36 2HD2 ASN 36 3.895 11.516 -17.926 261 2HD2 ASN 36 1HD2 ASN 36 2.757 12.297 -19.036 262 H THR 37 H THR 37 8.977 10.765 -17.984 263 HA THR 37 HA THR 37 10.776 12.598 -19.547 264 HB THR 37 HB THR 37 12.064 12.843 -17.406 265 HG1 THR 37 HG1 THR 37 9.708 12.081 -16.087 266 1HG2 THR 37 1HG2 THR 37 10.627 14.571 -16.456 267 2HG2 THR 37 2HG2 THR 37 10.549 14.618 -18.224 268 3HG2 THR 37 3HG2 THR 37 9.205 13.912 -17.299 269 H LYS 38 H LYS 38 10.653 9.672 -17.553 270 HA LYS 38 HA LYS 38 13.283 8.783 -18.151 271 1HB LYS 38 HB2 LYS 38 10.934 7.128 -17.150 272 2HB LYS 38 HB3 LYS 38 12.636 6.769 -16.933 273 1HG LYS 38 HG2 LYS 38 11.261 9.213 -15.698 274 2HG LYS 38 HG3 LYS 38 11.423 7.657 -14.915 275 1HD LYS 38 HD2 LYS 38 13.867 7.896 -14.864 276 2HD LYS 38 HD3 LYS 38 13.750 9.367 -15.843 277 1HE LYS 38 HE2 LYS 38 14.022 10.084 -13.568 278 2HE LYS 38 HE3 LYS 38 12.356 10.423 -14.048 279 1HZ LYS 38 HZ1 LYS 38 12.604 9.435 -11.810 280 2HZ LYS 38 HZ2 LYS 38 11.631 8.563 -12.769 281 3HZ LYS 38 HZ3 LYS 38 13.179 8.073 -12.497 282 H SER 39 H SER 39 10.809 9.036 -20.266 283 HA SER 39 HA SER 39 10.130 8.040 -22.157 284 1HB SER 39 HB2 SER 39 13.144 7.976 -22.523 285 2HB SER 39 HB3 SER 39 11.937 8.142 -23.798 286 HG SER 39 HG SER 39 12.565 9.994 -21.742 287 H HIS 40 H HIS 40 9.759 5.989 -20.501 288 HA HIS 40 HA HIS 40 11.121 3.568 -21.300 289 1HB HIS 40 HB2 HIS 40 9.273 4.368 -19.290 290 2HB HIS 40 HB3 HIS 40 8.419 3.168 -20.244 291 HD1 HIS 40 HD1 HIS 40 11.503 3.431 -17.960 292 HD2 HIS 40 HD2 HIS 40 9.349 0.719 -20.300 293 HE1 HIS 40 HE1 HIS 40 12.259 1.111 -17.205 294 H THR 41 H THR 41 11.064 3.019 -23.310 295 HA THR 41 HA THR 41 8.925 3.843 -25.049 296 HB THR 41 HB THR 41 11.116 2.191 -26.156 297 HG1 THR 41 HG1 THR 41 11.863 4.445 -24.645 298 1HG2 THR 41 1HG2 THR 41 9.742 3.778 -27.486 299 2HG2 THR 41 2HG2 THR 41 10.438 5.132 -26.587 300 3HG2 THR 41 3HG2 THR 41 11.488 4.130 -27.602 301 H HIS 42 H HIS 42 9.041 1.030 -23.155 302 HA HIS 42 HA HIS 42 8.599 -0.897 -25.244 303 1HB HIS 42 HB2 HIS 42 8.071 -1.105 -22.300 304 2HB HIS 42 HB3 HIS 42 8.421 -2.403 -23.445 305 HD2 HIS 42 HD2 HIS 42 11.147 -1.104 -24.727 306 HE1 HIS 42 HE1 HIS 42 12.546 -1.202 -20.686 307 HE2 HIS 42 HE2 HIS 42 13.257 -1.064 -23.161 308 H LYS 43 H LYS 43 6.693 -2.505 -24.959 309 HA LYS 43 HA LYS 43 4.257 -0.980 -25.267 310 1HB LYS 43 HB2 LYS 43 4.859 -3.025 -26.667 311 2HB LYS 43 HB3 LYS 43 4.454 -3.992 -25.268 312 1HG LYS 43 HG2 LYS 43 2.268 -2.180 -25.504 313 2HG LYS 43 HG3 LYS 43 2.723 -2.483 -27.170 314 1HD LYS 43 HD2 LYS 43 0.972 -4.009 -26.597 315 2HD LYS 43 HD3 LYS 43 2.465 -4.940 -26.760 316 1HE LYS 43 HE2 LYS 43 1.317 -5.728 -24.757 317 2HE LYS 43 HE3 LYS 43 2.761 -4.818 -24.266 318 1HZ LYS 43 HZ1 LYS 43 1.057 -4.198 -22.895 319 2HZ LYS 43 HZ2 LYS 43 1.262 -2.908 -23.855 320 3HZ LYS 43 HZ3 LYS 43 -0.039 -3.881 -24.076 321 H MET 44 H MET 44 4.061 -0.060 -23.267 322 HA MET 44 HA MET 44 3.487 -1.613 -20.862 323 1HB MET 44 HB2 MET 44 3.454 1.337 -21.770 324 2HB MET 44 HB3 MET 44 2.859 0.873 -20.156 325 1HG MET 44 HG2 MET 44 4.807 0.110 -19.393 326 2HG MET 44 HG3 MET 44 5.543 -0.115 -20.970 327 1HE MET 44 HE1 MET 44 6.200 1.161 -17.933 328 2HE MET 44 HE2 MET 44 6.251 2.953 -17.903 329 3HE MET 44 HE3 MET 44 4.704 2.100 -17.923 330 H VAL 45 H VAL 45 1.425 -0.544 -19.789 331 HA VAL 45 HA VAL 45 -0.999 -0.307 -21.338 332 HB VAL 45 HB VAL 45 -2.075 -1.601 -19.507 333 1HG1 VAL 45 1HG1 VAL 45 -0.146 -3.395 -21.088 334 2HG1 VAL 45 2HG1 VAL 45 -1.768 -3.795 -20.492 335 3HG1 VAL 45 3HG1 VAL 45 -1.585 -2.645 -21.823 336 1HG2 VAL 45 1HG2 VAL 45 0.682 -2.624 -18.848 337 2HG2 VAL 45 2HG2 VAL 45 -0.364 -1.592 -17.850 338 3HG2 VAL 45 3HG2 VAL 45 -0.812 -3.288 -18.227 339 H LYS 46 H LYS 46 -2.577 0.718 -19.371 340 HA LYS 46 HA LYS 46 -0.991 2.355 -17.519 341 1HB LYS 46 HB2 LYS 46 -0.825 3.721 -19.397 342 2HB LYS 46 HB3 LYS 46 -2.454 3.381 -19.980 343 1HG LYS 46 HG2 LYS 46 -2.167 4.820 -17.328 344 2HG LYS 46 HG3 LYS 46 -1.772 5.679 -18.801 345 1HD LYS 46 HD2 LYS 46 -4.044 5.054 -19.734 346 2HD LYS 46 HD3 LYS 46 -4.471 4.418 -18.131 347 1HE LYS 46 HE2 LYS 46 -4.294 6.523 -17.103 348 2HE LYS 46 HE3 LYS 46 -3.362 7.224 -18.428 349 1HZ LYS 46 HZ1 LYS 46 -6.194 6.576 -18.440 350 2HZ LYS 46 HZ2 LYS 46 -5.518 8.022 -18.523 351 3HZ LYS 46 HZ3 LYS 46 -5.389 7.063 -19.831 352 H TRP 47 H TRP 47 -2.244 2.818 -15.715 353 HA TRP 47 HA TRP 47 -5.133 2.225 -15.761 354 1HB TRP 47 HB2 TRP 47 -3.281 0.970 -13.719 355 2HB TRP 47 HB3 TRP 47 -4.933 0.530 -14.094 356 HD1 TRP 47 HD1 TRP 47 -1.449 -0.477 -14.623 357 HE1 TRP 47 HE1 TRP 47 -1.251 -2.472 -16.171 358 HE3 TRP 47 HE3 TRP 47 -6.112 -0.294 -16.735 359 HZ2 TRP 47 HZ2 TRP 47 -2.917 -3.819 -18.165 360 HZ3 TRP 47 HZ3 TRP 47 -6.725 -1.882 -18.536 361 HH2 TRP 47 HH2 TRP 47 -5.162 -3.684 -19.218 362 H GLY 48 H GLY 48 -6.018 2.762 -13.486 363 1HA GLY 48 HA2 GLY 48 -4.503 3.705 -11.464 364 2HA GLY 48 HA3 GLY 48 -4.768 5.164 -12.473 365 H LEU 49 H LEU 49 -7.008 5.353 -13.306 366 HA LEU 49 HA LEU 49 -9.225 5.655 -13.032 367 1HB LEU 49 HB2 LEU 49 -9.258 4.217 -10.398 368 2HB LEU 49 HB3 LEU 49 -10.588 4.560 -11.494 369 HG LEU 49 HG LEU 49 -8.307 2.563 -11.916 370 1HD1 LEU 49 1HD1 LEU 49 -11.335 2.231 -11.680 371 2HD1 LEU 49 2HD1 LEU 49 -10.130 0.926 -11.892 372 3HD1 LEU 49 3HD1 LEU 49 -10.143 1.897 -10.415 373 1HD2 LEU 49 1HD2 LEU 49 -8.795 3.606 -14.105 374 2HD2 LEU 49 2HD2 LEU 49 -9.492 1.973 -14.050 375 3HD2 LEU 49 3HD2 LEU 49 -10.527 3.394 -13.854 376 H GLY 50 H GLY 50 -6.848 7.208 -11.514 377 1HA GLY 50 HA2 GLY 50 -8.672 8.979 -9.944 378 2HA GLY 50 HA3 GLY 50 -6.998 8.641 -9.495 379 H LEU 51 H LEU 51 -5.626 8.968 -11.916 380 HA LEU 51 HA LEU 51 -6.273 11.671 -12.951 381 1HB LEU 51 HB2 LEU 51 -3.614 10.745 -11.839 382 2HB LEU 51 HB3 LEU 51 -3.810 12.193 -12.809 383 HG LEU 51 HG LEU 51 -5.062 11.748 -10.059 384 1HD1 LEU 51 1HD1 LEU 51 -2.702 13.453 -10.922 385 2HD1 LEU 51 2HD1 LEU 51 -3.405 13.399 -9.278 386 3HD1 LEU 51 3HD1 LEU 51 -2.626 11.975 -9.963 387 1HD2 LEU 51 1HD2 LEU 51 -4.973 14.240 -11.830 388 2HD2 LEU 51 2HD2 LEU 51 -6.427 13.312 -11.403 389 3HD2 LEU 51 3HD2 LEU 51 -5.559 14.197 -10.138 390 H ASP 52 H ASP 52 -6.959 9.292 -13.925 391 HA ASP 52 HA ASP 52 -5.136 7.861 -15.464 392 1HB ASP 52 HB2 ASP 52 -7.570 7.383 -14.484 393 2HB ASP 52 HB3 ASP 52 -8.121 7.823 -16.080 Start of MODEL 4 1 1H GLY 1 H1 GLY 1 4.175 -2.125 -9.812 2 2H GLY 1 H2 GLY 1 5.313 -3.266 -9.524 3 3H GLY 1 H3 GLY 1 3.926 -3.659 -10.307 4 1HA GLY 1 HA2 GLY 1 3.732 -4.488 -8.123 5 2HA GLY 1 HA3 GLY 1 4.145 -2.867 -7.495 6 H GLN 2 H GLN 2 1.560 -4.557 -7.182 7 HA GLN 2 HA GLN 2 -0.352 -2.445 -7.976 8 1HB GLN 2 HB2 GLN 2 -0.878 -5.401 -8.462 9 2HB GLN 2 HB3 GLN 2 -1.906 -4.056 -8.903 10 1HG GLN 2 HG2 GLN 2 0.108 -3.294 -10.410 11 2HG GLN 2 HG3 GLN 2 0.680 -4.929 -10.180 12 1HE2 GLN 2 2HE2 GLN 2 0.403 -5.674 -12.288 13 2HE2 GLN 2 1HE2 GLN 2 -1.203 -5.842 -13.015 14 H ASP 3 H ASP 3 -2.451 -2.782 -6.972 15 HA ASP 3 HA ASP 3 -2.725 -4.365 -4.537 16 1HB ASP 3 HB2 ASP 3 -1.423 -2.232 -3.957 17 2HB ASP 3 HB3 ASP 3 -2.888 -1.344 -4.417 18 H ARG 4 H ARG 4 -5.065 -2.800 -3.698 19 HA ARG 4 HA ARG 4 -6.974 -3.845 -5.591 20 1HB ARG 4 HB2 ARG 4 -7.336 -1.889 -3.273 21 2HB ARG 4 HB3 ARG 4 -8.640 -2.701 -4.151 22 1HG ARG 4 HG2 ARG 4 -8.626 -4.187 -2.558 23 2HG ARG 4 HG3 ARG 4 -7.227 -4.891 -3.326 24 1HD ARG 4 HD2 ARG 4 -6.705 -2.666 -1.342 25 2HD ARG 4 HD3 ARG 4 -7.384 -4.134 -0.664 26 HE ARG 4 HE ARG 4 -4.720 -3.662 -1.613 27 1HH1 ARG 4 1HH1 ARG 4 -7.036 -6.295 -1.036 28 2HH1 ARG 4 2HH1 ARG 4 -5.804 -7.502 -0.825 29 1HH2 ARG 4 1HH2 ARG 4 -3.187 -5.199 -1.434 30 2HH2 ARG 4 2HH2 ARG 4 -3.491 -6.865 -1.076 31 H PHE 5 H PHE 5 -5.797 -0.594 -4.874 32 HA PHE 5 HA PHE 5 -6.604 0.413 -7.488 33 1HB PHE 5 HB2 PHE 5 -7.797 2.420 -6.396 34 2HB PHE 5 HB3 PHE 5 -8.670 0.909 -6.418 35 HD1 PHE 5 HD1 PHE 5 -9.461 -0.150 -4.480 36 HD2 PHE 5 HD2 PHE 5 -6.623 3.079 -4.118 37 HE1 PHE 5 HE1 PHE 5 -9.779 -0.146 -2.027 38 HE2 PHE 5 HE2 PHE 5 -6.926 3.060 -1.662 39 HZ PHE 5 HZ PHE 5 -8.518 1.460 -0.611 40 H VAL 6 H VAL 6 -4.174 -0.148 -5.799 41 HA VAL 6 HA VAL 6 -2.869 2.479 -5.951 42 HB VAL 6 HB VAL 6 -3.246 0.651 -3.576 43 1HG1 VAL 6 1HG1 VAL 6 -1.165 1.307 -2.503 44 2HG1 VAL 6 2HG1 VAL 6 -0.812 0.405 -3.979 45 3HG1 VAL 6 3HG1 VAL 6 -0.645 2.186 -3.942 46 1HG2 VAL 6 1HG2 VAL 6 -4.269 2.915 -3.771 47 2HG2 VAL 6 2HG2 VAL 6 -3.183 2.743 -2.364 48 3HG2 VAL 6 3HG2 VAL 6 -2.626 3.620 -3.801 49 H TYR 7 H TYR 7 -0.696 2.234 -6.387 50 HA TYR 7 HA TYR 7 0.350 -0.298 -7.500 51 1HB TYR 7 HB2 TYR 7 -0.156 2.344 -8.955 52 2HB TYR 7 HB3 TYR 7 0.750 1.034 -9.626 53 HD1 TYR 7 HD1 TYR 7 -0.639 -1.306 -9.868 54 HD2 TYR 7 HD2 TYR 7 -2.474 2.494 -8.989 55 HE1 TYR 7 HE1 TYR 7 -2.893 -2.332 -10.109 56 HE2 TYR 7 HE2 TYR 7 -4.691 1.443 -9.026 57 HH TYR 7 HH TYR 7 -5.192 -2.034 -9.585 58 H THR 8 H THR 8 2.647 0.670 -8.653 59 HA THR 8 HA THR 8 3.857 2.617 -6.745 60 HB THR 8 HB THR 8 5.976 1.158 -7.451 61 HG1 THR 8 HG1 THR 8 5.042 -0.401 -8.663 62 1HG2 THR 8 1HG2 THR 8 4.043 0.395 -5.253 63 2HG2 THR 8 2HG2 THR 8 5.707 -0.234 -5.424 64 3HG2 THR 8 3HG2 THR 8 5.468 1.483 -5.165 65 H CYS 9 H CYS 9 5.837 3.640 -7.725 66 HA CYS 9 HA CYS 9 5.760 3.843 -10.713 67 1HB CYS 9 HB2 CYS 9 5.519 6.131 -9.745 68 2HB CYS 9 HB3 CYS 9 6.859 5.833 -8.645 69 H ASN 10 H ASN 10 7.333 2.167 -11.160 70 HA ASN 10 HA ASN 10 9.158 1.424 -9.109 71 1HB ASN 10 HB2 ASN 10 8.280 -0.144 -10.922 72 2HB ASN 10 HB3 ASN 10 9.473 0.616 -12.000 73 1HD2 ASN 10 2HD2 ASN 10 11.042 -0.958 -12.176 74 2HD2 ASN 10 1HD2 ASN 10 11.852 -1.731 -10.796 75 H GLU 11 H GLU 11 9.226 4.221 -10.793 76 HA GLU 11 HA GLU 11 12.157 4.233 -10.797 77 1HB GLU 11 HB2 GLU 11 10.223 5.657 -12.441 78 2HB GLU 11 HB3 GLU 11 11.368 6.720 -11.665 79 1HG GLU 11 HG2 GLU 11 12.207 4.155 -13.126 80 2HG GLU 11 HG3 GLU 11 12.220 5.751 -13.896 81 H CYS 12 H CYS 12 9.374 5.396 -9.033 82 HA CYS 12 HA CYS 12 11.153 7.126 -7.386 83 1HB CYS 12 HB2 CYS 12 8.157 6.735 -7.226 84 2HB CYS 12 HB3 CYS 12 9.134 7.927 -6.346 85 H LYS 13 H LYS 13 9.597 4.093 -7.555 86 HA LYS 13 HA LYS 13 9.071 2.377 -6.182 87 1HB LYS 13 HB2 LYS 13 11.850 3.058 -5.110 88 2HB LYS 13 HB3 LYS 13 10.901 1.699 -4.538 89 1HG LYS 13 HG2 LYS 13 11.605 0.447 -6.215 90 2HG LYS 13 HG3 LYS 13 10.637 1.406 -7.285 91 1HD LYS 13 HD2 LYS 13 13.603 1.625 -6.725 92 2HD LYS 13 HD3 LYS 13 12.740 1.192 -8.238 93 1HE LYS 13 HE2 LYS 13 11.768 3.568 -8.115 94 2HE LYS 13 HE3 LYS 13 13.044 3.940 -6.950 95 1HZ LYS 13 HZ1 LYS 13 13.664 4.506 -9.203 96 2HZ LYS 13 HZ2 LYS 13 14.644 3.274 -8.747 97 3HZ LYS 13 HZ3 LYS 13 13.344 3.027 -9.734 98 H HIS 14 H HIS 14 7.706 4.546 -5.794 99 HA HIS 14 HA HIS 14 6.917 4.210 -2.988 100 1HB HIS 14 HB2 HIS 14 6.435 6.475 -2.683 101 2HB HIS 14 HB3 HIS 14 8.086 6.398 -3.270 102 HD2 HIS 14 HD2 HIS 14 7.947 8.959 -3.990 103 HE1 HIS 14 HE1 HIS 14 5.521 8.344 -7.416 104 HE2 HIS 14 HE2 HIS 14 7.062 9.965 -6.275 105 H HIS 15 H HIS 15 4.601 4.912 -2.823 106 HA HIS 15 HA HIS 15 3.146 3.355 -4.797 107 1HB HIS 15 HB2 HIS 15 2.352 4.659 -2.152 108 2HB HIS 15 HB3 HIS 15 1.161 3.982 -3.226 109 HD2 HIS 15 HD2 HIS 15 1.441 1.316 -3.884 110 HE1 HIS 15 HE1 HIS 15 3.549 0.324 -0.318 111 HE2 HIS 15 HE2 HIS 15 2.284 -0.632 -2.306 112 H VAL 16 H VAL 16 1.401 4.002 -5.968 113 HA VAL 16 HA VAL 16 0.762 6.854 -6.344 114 HB VAL 16 HB VAL 16 1.200 6.776 -8.714 115 1HG1 VAL 16 1HG1 VAL 16 3.555 6.351 -8.920 116 2HG1 VAL 16 2HG1 VAL 16 3.212 7.220 -7.378 117 3HG1 VAL 16 3HG1 VAL 16 3.649 5.506 -7.408 118 1HG2 VAL 16 1HG2 VAL 16 0.476 4.549 -9.357 119 2HG2 VAL 16 2HG2 VAL 16 2.147 4.796 -9.861 120 3HG2 VAL 16 3HG2 VAL 16 1.771 3.793 -8.442 121 H GLU 17 H GLU 17 -1.376 7.028 -7.569 122 HA GLU 17 HA GLU 17 -3.106 4.629 -7.061 123 1HB GLU 17 HB2 GLU 17 -4.913 6.438 -7.544 124 2HB GLU 17 HB3 GLU 17 -4.136 6.321 -5.960 125 1HG GLU 17 HG2 GLU 17 -4.460 8.648 -6.699 126 2HG GLU 17 HG3 GLU 17 -2.744 8.256 -6.418 127 H THR 18 H THR 18 -1.670 6.570 -9.547 128 HA THR 18 HA THR 18 -3.005 4.904 -11.629 129 HB THR 18 HB THR 18 -2.526 7.932 -11.578 130 HG1 THR 18 HG1 THR 18 -4.300 7.667 -10.571 131 1HG2 THR 18 1HG2 THR 18 -4.177 7.454 -13.715 132 2HG2 THR 18 2HG2 THR 18 -2.411 7.712 -13.852 133 3HG2 THR 18 3HG2 THR 18 -3.088 6.080 -13.881 134 H ARG 19 H ARG 19 -1.520 4.102 -13.151 135 HA ARG 19 HA ARG 19 1.180 5.319 -13.279 136 1HB ARG 19 HB2 ARG 19 2.353 3.209 -12.894 137 2HB ARG 19 HB3 ARG 19 1.336 3.498 -11.490 138 1HG ARG 19 HG2 ARG 19 -0.318 1.904 -12.252 139 2HG ARG 19 HG3 ARG 19 0.496 1.705 -13.821 140 1HD ARG 19 HD2 ARG 19 2.235 0.465 -12.975 141 2HD ARG 19 HD3 ARG 19 1.859 0.833 -11.302 142 HE ARG 19 HE ARG 19 -0.452 -0.282 -12.033 143 1HH1 ARG 19 1HH2 ARG 19 2.776 -1.671 -12.076 144 2HH1 ARG 19 2HH2 ARG 19 2.292 -3.172 -12.780 145 1HH2 ARG 19 1HH1 ARG 19 -1.093 -2.351 -13.009 146 2HH2 ARG 19 2HH1 ARG 19 0.151 -3.499 -13.354 147 H TRP 20 H TRP 20 2.498 4.249 -14.883 148 HA TRP 20 HA TRP 20 1.151 3.201 -17.320 149 1HB TRP 20 HB2 TRP 20 3.799 4.548 -16.782 150 2HB TRP 20 HB3 TRP 20 3.250 3.972 -18.391 151 HD1 TRP 20 HD1 TRP 20 2.670 6.756 -15.871 152 HE1 TRP 20 HE1 TRP 20 1.057 8.504 -16.798 153 HE3 TRP 20 HE3 TRP 20 1.526 4.516 -20.294 154 HZ2 TRP 20 HZ2 TRP 20 -0.610 8.854 -19.093 155 HZ3 TRP 20 HZ3 TRP 20 -0.107 5.560 -21.847 156 HH2 TRP 20 HH2 TRP 20 -1.211 7.728 -21.271 157 H HIS 21 H HIS 21 1.849 1.053 -17.757 158 HA HIS 21 HA HIS 21 3.742 -0.157 -15.794 159 1HB HIS 21 HB2 HIS 21 1.767 -0.680 -14.795 160 2HB HIS 21 HB3 HIS 21 0.837 -0.691 -16.257 161 HD2 HIS 21 HD2 HIS 21 3.893 -3.001 -16.071 162 HE1 HIS 21 HE1 HIS 21 0.454 -5.486 -15.864 163 HE2 HIS 21 HE2 HIS 21 2.993 -5.463 -16.080 164 H CYS 22 H CYS 22 5.251 -1.243 -16.778 165 HA CYS 22 HA CYS 22 5.346 -1.787 -19.608 166 1HB CYS 22 HB2 CYS 22 7.058 -1.786 -17.202 167 2HB CYS 22 HB3 CYS 22 7.362 -3.173 -18.251 168 H THR 23 H THR 23 4.523 -3.445 -20.615 169 HA THR 23 HA THR 23 3.929 -5.949 -19.104 170 HB THR 23 HB THR 23 2.322 -6.478 -21.000 171 HG1 THR 23 HG1 THR 23 3.405 -4.240 -21.973 172 1HG2 THR 23 1HG2 THR 23 1.949 -3.882 -19.523 173 2HG2 THR 23 2HG2 THR 23 0.635 -4.986 -20.081 174 3HG2 THR 23 3HG2 THR 23 1.720 -5.480 -18.768 175 H VAL 24 H VAL 24 6.406 -5.002 -20.178 176 HA VAL 24 HA VAL 24 7.507 -7.152 -21.855 177 HB VAL 24 HB VAL 24 7.530 -4.943 -22.763 178 1HG1 VAL 24 1HG1 VAL 24 7.125 -3.157 -21.663 179 2HG1 VAL 24 2HG1 VAL 24 7.492 -3.848 -20.135 180 3HG1 VAL 24 3HG1 VAL 24 8.822 -3.169 -21.046 181 1HG2 VAL 24 1HG2 VAL 24 10.223 -5.187 -21.369 182 2HG2 VAL 24 2HG2 VAL 24 9.774 -6.123 -22.804 183 3HG2 VAL 24 3HG2 VAL 24 9.907 -4.338 -22.891 184 H CYS 25 H CYS 25 8.569 -4.802 -19.391 185 HA CYS 25 HA CYS 25 10.271 -6.560 -17.932 186 1HB CYS 25 HB2 CYS 25 8.903 -4.052 -16.941 187 2HB CYS 25 HB3 CYS 25 10.477 -4.696 -16.422 188 H GLU 26 H GLU 26 9.719 -7.484 -15.755 189 HA GLU 26 HA GLU 26 6.976 -8.327 -15.574 190 1HB GLU 26 HB2 GLU 26 9.465 -8.839 -13.957 191 2HB GLU 26 HB3 GLU 26 7.854 -9.240 -13.307 192 1HG GLU 26 HG2 GLU 26 7.319 -10.537 -15.289 193 2HG GLU 26 HG3 GLU 26 8.905 -10.179 -16.002 194 H ASP 27 H ASP 27 5.606 -6.908 -15.208 195 HA ASP 27 HA ASP 27 4.360 -5.209 -14.399 196 1HB ASP 27 HB2 ASP 27 3.889 -7.214 -12.981 197 2HB ASP 27 HB3 ASP 27 4.940 -6.549 -11.746 198 H TYR 28 H TYR 28 6.916 -4.338 -14.830 199 HA TYR 28 HA TYR 28 7.840 -2.524 -12.776 200 1HB TYR 28 HB2 TYR 28 9.272 -3.408 -14.586 201 2HB TYR 28 HB3 TYR 28 8.269 -2.576 -15.761 202 HD1 TYR 28 HD1 TYR 28 11.249 -2.358 -13.879 203 HD2 TYR 28 HD2 TYR 28 8.170 0.001 -15.701 204 HE1 TYR 28 HE1 TYR 28 12.745 -0.373 -13.805 205 HE2 TYR 28 HE2 TYR 28 9.651 1.980 -15.696 206 HH TYR 28 HH TYR 28 12.994 1.871 -14.381 207 H ASP 29 H ASP 29 7.416 -0.271 -12.676 208 HA ASP 29 HA ASP 29 4.954 0.642 -14.137 209 1HB ASP 29 HB2 ASP 29 5.492 1.686 -11.399 210 2HB ASP 29 HB3 ASP 29 3.996 1.357 -12.193 211 H LEU 30 H LEU 30 4.658 2.993 -14.064 212 HA LEU 30 HA LEU 30 6.814 4.655 -13.031 213 1HB LEU 30 HB2 LEU 30 5.839 4.670 -15.916 214 2HB LEU 30 HB3 LEU 30 6.642 6.019 -15.149 215 HG LEU 30 HG LEU 30 7.805 3.247 -15.679 216 1HD1 LEU 30 1HD1 LEU 30 7.671 4.779 -17.636 217 2HD1 LEU 30 2HD1 LEU 30 8.637 5.976 -16.745 218 3HD1 LEU 30 3HD1 LEU 30 9.351 4.407 -17.156 219 1HD2 LEU 30 1HD2 LEU 30 9.959 4.080 -14.813 220 2HD2 LEU 30 2HD2 LEU 30 9.195 5.660 -14.446 221 3HD2 LEU 30 3HD2 LEU 30 8.768 4.218 -13.527 222 H CYS 31 H CYS 31 5.873 6.444 -12.024 223 HA CYS 31 HA CYS 31 3.065 6.950 -12.235 224 1HB CYS 31 HB2 CYS 31 3.577 9.022 -11.036 225 2HB CYS 31 HB3 CYS 31 4.347 7.703 -10.217 226 H ILE 32 H ILE 32 2.304 9.103 -12.988 227 HA ILE 32 HA ILE 32 2.614 9.324 -15.716 228 HB ILE 32 HB ILE 32 1.777 11.581 -13.831 229 1HG1 ILE 32 2HG1 ILE 32 0.364 9.660 -13.234 230 2HG1 ILE 32 3HG1 ILE 32 -0.534 10.896 -14.057 231 1HG2 ILE 32 1HG2 ILE 32 0.334 12.181 -15.868 232 2HG2 ILE 32 2HG2 ILE 32 2.088 12.422 -16.023 233 3HG2 ILE 32 3HG2 ILE 32 1.314 11.007 -16.760 234 1HD1 ILE 32 1HD1 ILE 32 0.222 8.161 -15.060 235 2HD1 ILE 32 2HD1 ILE 32 -1.364 8.998 -15.050 236 3HD1 ILE 32 3HD1 ILE 32 -0.204 9.463 -16.231 237 H ASN 33 H ASN 33 4.329 11.225 -13.221 238 HA ASN 33 HA ASN 33 5.657 12.987 -15.083 239 1HB ASN 33 HB2 ASN 33 5.483 13.692 -12.767 240 2HB ASN 33 HB3 ASN 33 6.100 12.167 -12.170 241 1HD2 ASN 33 2HD2 ASN 33 8.409 11.762 -12.134 242 2HD2 ASN 33 1HD2 ASN 33 9.504 13.107 -12.362 243 H CYS 34 H CYS 34 6.716 9.944 -13.515 244 HA CYS 34 HA CYS 34 9.311 10.098 -14.718 245 1HB CYS 34 HB2 CYS 34 7.731 7.874 -13.357 246 2HB CYS 34 HB3 CYS 34 9.292 7.611 -14.169 247 H TYR 35 H TYR 35 6.260 8.471 -15.702 248 HA TYR 35 HA TYR 35 7.329 7.179 -17.983 249 1HB TYR 35 HB2 TYR 35 5.129 6.680 -17.239 250 2HB TYR 35 HB3 TYR 35 4.612 8.352 -17.401 251 HD1 TYR 35 HD1 TYR 35 5.767 5.381 -19.386 252 HD2 TYR 35 HD2 TYR 35 3.683 9.139 -19.455 253 HE1 TYR 35 HE1 TYR 35 5.058 4.928 -21.731 254 HE2 TYR 35 HE2 TYR 35 3.026 8.744 -21.791 255 HH TYR 35 HH TYR 35 3.182 7.313 -23.615 256 H ASN 36 H ASN 36 6.089 10.490 -17.557 257 HA ASN 36 HA ASN 36 6.374 11.438 -20.169 258 1HB ASN 36 HB2 ASN 36 5.906 12.582 -17.452 259 2HB ASN 36 HB3 ASN 36 6.608 13.699 -18.556 260 1HD2 ASN 36 2HD2 ASN 36 3.809 11.724 -17.898 261 2HD2 ASN 36 1HD2 ASN 36 2.740 12.486 -19.083 262 H THR 37 H THR 37 8.969 10.750 -17.941 263 HA THR 37 HA THR 37 10.742 12.541 -19.566 264 HB THR 37 HB THR 37 12.075 12.730 -17.429 265 HG1 THR 37 HG1 THR 37 9.675 12.072 -16.136 266 1HG2 THR 37 1HG2 THR 37 10.760 14.536 -16.472 267 2HG2 THR 37 2HG2 THR 37 10.692 14.599 -18.224 268 3HG2 THR 37 3HG2 THR 37 9.296 13.976 -17.327 269 H LYS 38 H LYS 38 10.647 9.604 -17.558 270 HA LYS 38 HA LYS 38 13.268 8.704 -18.223 271 1HB LYS 38 HB2 LYS 38 10.915 7.033 -17.261 272 2HB LYS 38 HB3 LYS 38 12.621 6.650 -17.068 273 1HG LYS 38 HG2 LYS 38 11.247 9.061 -15.779 274 2HG LYS 38 HG3 LYS 38 11.484 7.512 -14.981 275 1HD LYS 38 HD2 LYS 38 13.911 7.840 -15.001 276 2HD LYS 38 HD3 LYS 38 13.735 9.279 -16.000 277 1HE LYS 38 HE2 LYS 38 14.075 9.979 -13.717 278 2HE LYS 38 HE3 LYS 38 12.411 10.379 -14.188 279 1HZ LYS 38 HZ1 LYS 38 12.658 9.374 -11.951 280 2HZ LYS 38 HZ2 LYS 38 11.664 8.519 -12.904 281 3HZ LYS 38 HZ3 LYS 38 13.200 7.995 -12.648 282 H SER 39 H SER 39 10.655 8.909 -20.283 283 HA SER 39 HA SER 39 10.113 8.003 -22.266 284 1HB SER 39 HB2 SER 39 13.133 7.970 -22.509 285 2HB SER 39 HB3 SER 39 11.960 8.090 -23.839 286 HG SER 39 HG SER 39 12.428 9.981 -21.763 287 H HIS 40 H HIS 40 9.805 5.937 -20.523 288 HA HIS 40 HA HIS 40 11.168 3.517 -21.333 289 1HB HIS 40 HB2 HIS 40 9.282 4.335 -19.341 290 2HB HIS 40 HB3 HIS 40 8.479 3.083 -20.293 291 HD1 HIS 40 HD1 HIS 40 11.451 3.446 -17.894 292 HD2 HIS 40 HD2 HIS 40 9.506 0.650 -20.310 293 HE1 HIS 40 HE1 HIS 40 12.330 1.149 -17.168 294 H THR 41 H THR 41 11.055 2.855 -23.334 295 HA THR 41 HA THR 41 8.883 3.719 -25.025 296 HB THR 41 HB THR 41 11.120 2.155 -26.196 297 HG1 THR 41 HG1 THR 41 11.785 4.430 -24.669 298 1HG2 THR 41 1HG2 THR 41 10.272 5.061 -26.595 299 2HG2 THR 41 2HG2 THR 41 11.397 4.123 -27.613 300 3HG2 THR 41 3HG2 THR 41 9.686 3.676 -27.534 301 H HIS 42 H HIS 42 9.154 0.948 -23.126 302 HA HIS 42 HA HIS 42 8.777 -1.014 -25.185 303 1HB HIS 42 HB2 HIS 42 8.265 -1.241 -22.217 304 2HB HIS 42 HB3 HIS 42 8.649 -2.531 -23.374 305 HD2 HIS 42 HD2 HIS 42 11.322 -1.066 -24.663 306 HE1 HIS 42 HE1 HIS 42 12.738 -1.044 -20.642 307 HE2 HIS 42 HE2 HIS 42 13.411 -0.772 -23.087 308 H LYS 43 H LYS 43 6.816 -2.605 -24.962 309 HA LYS 43 HA LYS 43 4.481 -0.970 -25.291 310 1HB LYS 43 HB2 LYS 43 5.178 -3.137 -26.525 311 2HB LYS 43 HB3 LYS 43 4.433 -3.998 -25.193 312 1HG LYS 43 HG2 LYS 43 3.179 -1.833 -26.951 313 2HG LYS 43 HG3 LYS 43 2.950 -3.564 -27.202 314 1HD LYS 43 HD2 LYS 43 1.858 -1.805 -25.009 315 2HD LYS 43 HD3 LYS 43 0.964 -2.670 -26.267 316 1HE LYS 43 HE2 LYS 43 1.470 -4.841 -25.269 317 2HE LYS 43 HE3 LYS 43 2.593 -4.108 -24.130 318 1HZ LYS 43 HZ1 LYS 43 0.839 -4.270 -22.848 319 2HZ LYS 43 HZ2 LYS 43 0.616 -2.774 -23.390 320 3HZ LYS 43 HZ3 LYS 43 -0.311 -3.989 -24.028 321 H MET 44 H MET 44 3.494 -0.135 -23.642 322 HA MET 44 HA MET 44 3.334 -1.472 -20.976 323 1HB MET 44 HB2 MET 44 3.464 1.407 -21.972 324 2HB MET 44 HB3 MET 44 2.809 1.009 -20.363 325 1HG MET 44 HG2 MET 44 4.684 0.184 -19.540 326 2HG MET 44 HG3 MET 44 5.509 -0.026 -21.084 327 1HE MET 44 HE1 MET 44 6.097 1.219 -18.028 328 2HE MET 44 HE2 MET 44 6.132 3.004 -17.956 329 3HE MET 44 HE3 MET 44 4.582 2.164 -18.017 330 H VAL 45 H VAL 45 1.376 -0.432 -19.816 331 HA VAL 45 HA VAL 45 -1.119 -0.169 -21.260 332 HB VAL 45 HB VAL 45 -2.097 -1.473 -19.338 333 1HG1 VAL 45 1HG1 VAL 45 -1.800 -3.677 -20.344 334 2HG1 VAL 45 2HG1 VAL 45 -1.833 -2.498 -21.662 335 3HG1 VAL 45 3HG1 VAL 45 -0.284 -3.214 -21.093 336 1HG2 VAL 45 1HG2 VAL 45 -0.664 -3.175 -18.199 337 2HG2 VAL 45 2HG2 VAL 45 0.741 -2.387 -18.879 338 3HG2 VAL 45 3HG2 VAL 45 -0.297 -1.470 -17.811 339 H LYS 46 H LYS 46 -2.629 0.800 -19.236 340 HA LYS 46 HA LYS 46 -1.061 2.391 -17.369 341 1HB LYS 46 HB2 LYS 46 -1.224 3.674 -19.539 342 2HB LYS 46 HB3 LYS 46 -2.955 3.683 -19.390 343 1HG LYS 46 HG2 LYS 46 -1.097 4.932 -17.298 344 2HG LYS 46 HG3 LYS 46 -1.722 5.796 -18.678 345 1HD LYS 46 HD2 LYS 46 -4.105 5.261 -17.760 346 2HD LYS 46 HD3 LYS 46 -3.256 4.759 -16.293 347 1HE LYS 46 HE2 LYS 46 -3.814 7.014 -15.960 348 2HE LYS 46 HE3 LYS 46 -2.078 6.997 -16.277 349 1HZ LYS 46 HZ1 LYS 46 -3.218 8.730 -17.438 350 2HZ LYS 46 HZ2 LYS 46 -2.614 7.707 -18.586 351 3HZ LYS 46 HZ3 LYS 46 -4.227 7.760 -18.121 352 H TRP 47 H TRP 47 -2.274 2.532 -15.539 353 HA TRP 47 HA TRP 47 -5.126 1.731 -15.646 354 1HB TRP 47 HB2 TRP 47 -3.162 0.902 -13.469 355 2HB TRP 47 HB3 TRP 47 -4.802 0.336 -13.684 356 HD1 TRP 47 HD1 TRP 47 -1.304 -0.454 -14.521 357 HE1 TRP 47 HE1 TRP 47 -1.092 -2.461 -16.076 358 HE3 TRP 47 HE3 TRP 47 -6.131 -0.662 -16.149 359 HZ2 TRP 47 HZ2 TRP 47 -2.762 -3.798 -18.056 360 HZ3 TRP 47 HZ3 TRP 47 -6.731 -2.179 -18.031 361 HH2 TRP 47 HH2 TRP 47 -5.071 -3.770 -18.950 362 H GLY 48 H GLY 48 -6.227 3.441 -14.858 363 1HA GLY 48 HA2 GLY 48 -4.828 5.226 -12.935 364 2HA GLY 48 HA3 GLY 48 -5.657 5.851 -14.385 365 H LEU 49 H LEU 49 -5.986 6.090 -11.437 366 HA LEU 49 HA LEU 49 -8.881 5.602 -11.298 367 1HB LEU 49 HB2 LEU 49 -6.855 4.543 -9.300 368 2HB LEU 49 HB3 LEU 49 -8.549 4.688 -8.920 369 HG LEU 49 HG LEU 49 -7.463 2.988 -11.212 370 1HD1 LEU 49 1HD1 LEU 49 -6.861 2.195 -9.004 371 2HD1 LEU 49 2HD1 LEU 49 -8.579 2.218 -8.519 372 3HD1 LEU 49 3HD1 LEU 49 -8.040 1.106 -9.792 373 1HD2 LEU 49 1HD2 LEU 49 -9.800 3.673 -11.727 374 2HD2 LEU 49 2HD2 LEU 49 -9.758 1.995 -11.234 375 3HD2 LEU 49 3HD2 LEU 49 -10.308 3.226 -10.085 376 H GLY 50 H GLY 50 -6.527 7.963 -11.075 377 1HA GLY 50 HA2 GLY 50 -8.341 9.608 -9.443 378 2HA GLY 50 HA3 GLY 50 -6.754 9.287 -8.741 379 H LEU 51 H LEU 51 -5.016 9.486 -10.830 380 HA LEU 51 HA LEU 51 -5.428 12.197 -12.028 381 1HB LEU 51 HB2 LEU 51 -2.932 11.044 -10.715 382 2HB LEU 51 HB3 LEU 51 -3.014 12.603 -11.527 383 HG LEU 51 HG LEU 51 -4.594 11.945 -9.010 384 1HD1 LEU 51 1HD1 LEU 51 -1.967 13.447 -9.328 385 2HD1 LEU 51 2HD1 LEU 51 -2.935 13.387 -7.855 386 3HD1 LEU 51 3HD1 LEU 51 -2.214 11.884 -8.517 387 1HD2 LEU 51 1HD2 LEU 51 -4.059 14.595 -10.421 388 2HD2 LEU 51 2HD2 LEU 51 -5.633 13.767 -10.271 389 3HD2 LEU 51 3HD2 LEU 51 -4.871 14.419 -8.841 390 H ASP 52 H ASP 52 -6.231 10.890 -13.820 391 HA ASP 52 HA ASP 52 -4.449 8.991 -15.101 392 1HB ASP 52 HB2 ASP 52 -7.055 9.040 -15.161 393 2HB ASP 52 HB3 ASP 52 -6.866 10.248 -16.446 Start of MODEL 5 1 1H GLY 1 H1 GLY 1 3.866 -3.653 -10.396 2 2H GLY 1 H2 GLY 1 4.023 -2.121 -9.853 3 3H GLY 1 H3 GLY 1 5.134 -3.241 -9.410 4 1HA GLY 1 HA2 GLY 1 3.336 -4.473 -8.239 5 2HA GLY 1 HA3 GLY 1 3.722 -2.855 -7.591 6 H GLN 2 H GLN 2 1.061 -4.489 -7.591 7 HA GLN 2 HA GLN 2 -0.624 -2.240 -8.371 8 1HB GLN 2 HB2 GLN 2 -2.141 -3.858 -9.692 9 2HB GLN 2 HB3 GLN 2 -0.718 -3.175 -10.472 10 1HG GLN 2 HG2 GLN 2 0.520 -5.283 -10.176 11 2HG GLN 2 HG3 GLN 2 -0.883 -6.000 -9.374 12 1HE2 GLN 2 2HE2 GLN 2 0.648 -5.724 -12.424 13 2HE2 GLN 2 1HE2 GLN 2 -0.756 -6.157 -13.384 14 H ASP 3 H ASP 3 -2.678 -2.253 -7.628 15 HA ASP 3 HA ASP 3 -3.661 -4.150 -5.637 16 1HB ASP 3 HB2 ASP 3 -2.103 -2.413 -4.545 17 2HB ASP 3 HB3 ASP 3 -3.237 -1.186 -5.139 18 H ARG 4 H ARG 4 -5.906 -3.046 -4.946 19 HA ARG 4 HA ARG 4 -7.601 -2.997 -7.159 20 1HB ARG 4 HB2 ARG 4 -9.387 -2.327 -5.662 21 2HB ARG 4 HB3 ARG 4 -8.402 -3.582 -4.967 22 1HG ARG 4 HG2 ARG 4 -7.491 -0.880 -4.171 23 2HG ARG 4 HG3 ARG 4 -9.186 -1.149 -3.782 24 1HD ARG 4 HD2 ARG 4 -8.667 -2.461 -2.001 25 2HD ARG 4 HD3 ARG 4 -7.497 -3.396 -2.940 26 HE ARG 4 HE ARG 4 -5.799 -2.063 -2.403 27 1HH1 ARG 4 1HH1 ARG 4 -8.649 -0.770 -0.785 28 2HH1 ARG 4 2HH1 ARG 4 -7.747 0.323 0.226 29 1HH2 ARG 4 1HH2 ARG 4 -4.698 -0.600 -1.344 30 2HH2 ARG 4 2HH2 ARG 4 -5.320 0.480 -0.129 31 H PHE 5 H PHE 5 -6.058 -0.170 -5.716 32 HA PHE 5 HA PHE 5 -6.594 1.419 -8.063 33 1HB PHE 5 HB2 PHE 5 -7.735 3.283 -6.796 34 2HB PHE 5 HB3 PHE 5 -8.727 1.884 -7.087 35 HD1 PHE 5 HD1 PHE 5 -9.965 0.958 -5.296 36 HD2 PHE 5 HD2 PHE 5 -6.648 3.566 -4.397 37 HE1 PHE 5 HE1 PHE 5 -10.644 1.013 -2.923 38 HE2 PHE 5 HE2 PHE 5 -7.267 3.543 -2.034 39 HZ PHE 5 HZ PHE 5 -9.276 2.301 -1.263 40 H VAL 6 H VAL 6 -4.385 0.287 -6.513 41 HA VAL 6 HA VAL 6 -2.797 2.712 -6.058 42 HB VAL 6 HB VAL 6 -3.688 0.726 -3.994 43 1HG1 VAL 6 1HG1 VAL 6 -0.792 1.672 -3.999 44 2HG1 VAL 6 2HG1 VAL 6 -1.657 0.865 -2.658 45 3HG1 VAL 6 3HG1 VAL 6 -1.394 -0.004 -4.161 46 1HG2 VAL 6 1HG2 VAL 6 -3.241 2.699 -2.539 47 2HG2 VAL 6 2HG2 VAL 6 -2.763 3.604 -3.999 48 3HG2 VAL 6 3HG2 VAL 6 -4.402 2.983 -3.865 49 H TYR 7 H TYR 7 -0.652 2.328 -6.382 50 HA TYR 7 HA TYR 7 0.298 -0.148 -7.614 51 1HB TYR 7 HB2 TYR 7 -0.014 2.580 -8.978 52 2HB TYR 7 HB3 TYR 7 0.811 1.214 -9.691 53 HD1 TYR 7 HD1 TYR 7 -0.759 -0.947 -10.049 54 HD2 TYR 7 HD2 TYR 7 -2.261 2.962 -9.097 55 HE1 TYR 7 HE1 TYR 7 -3.079 -1.712 -10.596 56 HE2 TYR 7 HE2 TYR 7 -4.552 2.194 -9.476 57 HH TYR 7 HH TYR 7 -5.347 -1.181 -10.167 58 H THR 8 H THR 8 2.553 0.896 -8.727 59 HA THR 8 HA THR 8 3.798 2.705 -6.753 60 HB THR 8 HB THR 8 5.901 1.118 -7.473 61 HG1 THR 8 HG1 THR 8 4.956 -0.449 -8.555 62 1HG2 THR 8 1HG2 THR 8 5.514 -0.204 -5.356 63 2HG2 THR 8 2HG2 THR 8 5.487 1.544 -5.184 64 3HG2 THR 8 3HG2 THR 8 3.940 0.645 -5.214 65 H CYS 9 H CYS 9 5.902 3.570 -7.772 66 HA CYS 9 HA CYS 9 5.810 3.758 -10.739 67 1HB CYS 9 HB2 CYS 9 5.546 6.090 -9.798 68 2HB CYS 9 HB3 CYS 9 6.883 5.820 -8.692 69 H ASN 10 H ASN 10 7.403 2.163 -11.162 70 HA ASN 10 HA ASN 10 9.232 1.342 -9.121 71 1HB ASN 10 HB2 ASN 10 8.284 -0.145 -10.896 72 2HB ASN 10 HB3 ASN 10 9.392 0.631 -12.041 73 1HD2 ASN 10 2HD2 ASN 10 11.037 -0.952 -12.319 74 2HD2 ASN 10 1HD2 ASN 10 11.902 -1.690 -10.989 75 H GLU 11 H GLU 11 9.228 4.189 -10.817 76 HA GLU 11 HA GLU 11 12.150 4.247 -10.827 77 1HB GLU 11 HB2 GLU 11 10.197 5.714 -12.403 78 2HB GLU 11 HB3 GLU 11 11.358 6.763 -11.627 79 1HG GLU 11 HG2 GLU 11 12.190 4.273 -13.190 80 2HG GLU 11 HG3 GLU 11 12.162 5.891 -13.878 81 H CYS 12 H CYS 12 9.361 5.344 -9.036 82 HA CYS 12 HA CYS 12 11.101 7.071 -7.332 83 1HB CYS 12 HB2 CYS 12 8.088 6.614 -7.129 84 2HB CYS 12 HB3 CYS 12 9.060 7.836 -6.289 85 H LYS 13 H LYS 13 9.519 4.007 -7.512 86 HA LYS 13 HA LYS 13 9.097 2.267 -6.170 87 1HB LYS 13 HB2 LYS 13 11.875 2.989 -5.118 88 2HB LYS 13 HB3 LYS 13 10.954 1.596 -4.546 89 1HG LYS 13 HG2 LYS 13 11.730 0.392 -6.244 90 2HG LYS 13 HG3 LYS 13 10.708 1.338 -7.304 91 1HD LYS 13 HD2 LYS 13 13.690 1.646 -6.805 92 2HD LYS 13 HD3 LYS 13 12.800 1.228 -8.268 93 1HE LYS 13 HE2 LYS 13 11.783 3.572 -8.132 94 2HE LYS 13 HE3 LYS 13 13.065 3.976 -6.982 95 1HZ LYS 13 HZ1 LYS 13 13.376 3.067 -9.778 96 2HZ LYS 13 HZ2 LYS 13 13.639 4.548 -9.238 97 3HZ LYS 13 HZ3 LYS 13 14.669 3.364 -8.776 98 H HIS 14 H HIS 14 7.779 4.385 -5.809 99 HA HIS 14 HA HIS 14 6.933 4.191 -3.005 100 1HB HIS 14 HB2 HIS 14 7.260 6.720 -4.710 101 2HB HIS 14 HB3 HIS 14 6.139 6.641 -3.335 102 HD2 HIS 14 HD2 HIS 14 9.548 7.652 -4.039 103 HE1 HIS 14 HE1 HIS 14 9.823 6.156 -0.056 104 HE2 HIS 14 HE2 HIS 14 11.036 7.438 -1.902 105 H HIS 15 H HIS 15 4.644 4.865 -2.871 106 HA HIS 15 HA HIS 15 3.083 3.317 -4.720 107 1HB HIS 15 HB2 HIS 15 1.982 3.043 -2.827 108 2HB HIS 15 HB3 HIS 15 2.819 4.376 -2.048 109 HD2 HIS 15 HD2 HIS 15 -0.335 3.791 -4.242 110 HE1 HIS 15 HE1 HIS 15 -0.778 7.571 -2.356 111 HE2 HIS 15 HE2 HIS 15 -1.904 5.876 -3.873 112 H VAL 16 H VAL 16 1.325 4.060 -5.952 113 HA VAL 16 HA VAL 16 0.844 6.881 -6.378 114 HB VAL 16 HB VAL 16 1.219 6.874 -8.796 115 1HG1 VAL 16 1HG1 VAL 16 3.556 6.416 -9.102 116 2HG1 VAL 16 2HG1 VAL 16 3.301 7.280 -7.559 117 3HG1 VAL 16 3HG1 VAL 16 3.667 5.516 -7.619 118 1HG2 VAL 16 1HG2 VAL 16 2.077 4.922 -10.034 119 2HG2 VAL 16 2HG2 VAL 16 1.838 3.912 -8.585 120 3HG2 VAL 16 3HG2 VAL 16 0.458 4.674 -9.406 121 H GLU 17 H GLU 17 -1.303 7.055 -7.756 122 HA GLU 17 HA GLU 17 -3.041 4.717 -7.127 123 1HB GLU 17 HB2 GLU 17 -4.847 6.525 -7.431 124 2HB GLU 17 HB3 GLU 17 -3.937 6.455 -5.928 125 1HG GLU 17 HG2 GLU 17 -4.308 8.771 -6.732 126 2HG GLU 17 HG3 GLU 17 -2.596 8.390 -6.563 127 H THR 18 H THR 18 -1.645 6.552 -9.646 128 HA THR 18 HA THR 18 -3.084 4.987 -11.707 129 HB THR 18 HB THR 18 -2.422 7.957 -11.575 130 HG1 THR 18 HG1 THR 18 -4.276 7.776 -10.606 131 1HG2 THR 18 1HG2 THR 18 -2.744 8.267 -13.769 132 2HG2 THR 18 2HG2 THR 18 -2.514 6.535 -13.983 133 3HG2 THR 18 3HG2 THR 18 -4.144 7.228 -13.820 134 H ARG 19 H ARG 19 -1.572 4.159 -13.236 135 HA ARG 19 HA ARG 19 1.152 5.245 -13.275 136 1HB ARG 19 HB2 ARG 19 2.334 3.196 -12.823 137 2HB ARG 19 HB3 ARG 19 1.198 3.389 -11.486 138 1HG ARG 19 HG2 ARG 19 -0.330 1.780 -12.534 139 2HG ARG 19 HG3 ARG 19 0.726 1.622 -13.941 140 1HD ARG 19 HD2 ARG 19 2.293 0.355 -12.939 141 2HD ARG 19 HD3 ARG 19 1.820 0.742 -11.298 142 HE ARG 19 HE ARG 19 -0.472 -0.342 -12.140 143 1HH1 ARG 19 2HH2 ARG 19 2.737 -1.803 -12.145 144 2HH1 ARG 19 1HH2 ARG 19 2.198 -3.317 -12.772 145 1HH2 ARG 19 1HH1 ARG 19 -1.178 -2.387 -13.022 146 2HH2 ARG 19 2HH1 ARG 19 0.029 -3.629 -13.219 147 H TRP 20 H TRP 20 2.515 4.151 -14.858 148 HA TRP 20 HA TRP 20 1.175 3.039 -17.285 149 1HB TRP 20 HB2 TRP 20 3.810 4.477 -16.791 150 2HB TRP 20 HB3 TRP 20 3.308 3.790 -18.346 151 HD1 TRP 20 HD1 TRP 20 2.437 6.651 -15.980 152 HE1 TRP 20 HE1 TRP 20 0.626 8.099 -16.961 153 HE3 TRP 20 HE3 TRP 20 1.674 4.139 -20.366 154 HZ2 TRP 20 HZ2 TRP 20 -0.908 8.284 -19.387 155 HZ3 TRP 20 HZ3 TRP 20 -0.010 4.988 -22.013 156 HH2 TRP 20 HH2 TRP 20 -1.315 7.025 -21.510 157 H HIS 21 H HIS 21 1.809 0.950 -17.682 158 HA HIS 21 HA HIS 21 3.764 -0.236 -15.771 159 1HB HIS 21 HB2 HIS 21 1.834 -0.766 -14.723 160 2HB HIS 21 HB3 HIS 21 0.853 -0.776 -16.168 161 HD2 HIS 21 HD2 HIS 21 3.943 -3.095 -16.011 162 HE1 HIS 21 HE1 HIS 21 0.503 -5.577 -15.743 163 HE2 HIS 21 HE2 HIS 21 3.041 -5.527 -16.030 164 H CYS 22 H CYS 22 5.272 -1.298 -16.782 165 HA CYS 22 HA CYS 22 5.331 -1.878 -19.605 166 1HB CYS 22 HB2 CYS 22 7.080 -1.760 -17.236 167 2HB CYS 22 HB3 CYS 22 7.454 -3.122 -18.278 168 H THR 23 H THR 23 4.582 -3.483 -20.586 169 HA THR 23 HA THR 23 4.007 -6.024 -19.149 170 HB THR 23 HB THR 23 2.263 -6.548 -20.837 171 HG1 THR 23 HG1 THR 23 3.277 -4.168 -21.814 172 1HG2 THR 23 1HG2 THR 23 1.979 -3.830 -19.588 173 2HG2 THR 23 2HG2 THR 23 0.646 -4.965 -20.010 174 3HG2 THR 23 3HG2 THR 23 1.761 -5.342 -18.673 175 H VAL 24 H VAL 24 6.411 -5.128 -20.184 176 HA VAL 24 HA VAL 24 7.495 -7.108 -22.032 177 HB VAL 24 HB VAL 24 7.508 -4.866 -22.822 178 1HG1 VAL 24 1HG1 VAL 24 7.123 -3.122 -21.686 179 2HG1 VAL 24 2HG1 VAL 24 7.442 -3.884 -20.162 180 3HG1 VAL 24 3HG1 VAL 24 8.778 -3.150 -21.015 181 1HG2 VAL 24 1HG2 VAL 24 9.786 -6.043 -22.856 182 2HG2 VAL 24 2HG2 VAL 24 9.899 -4.250 -22.899 183 3HG2 VAL 24 3HG2 VAL 24 10.213 -5.110 -21.405 184 H CYS 25 H CYS 25 8.398 -4.890 -19.382 185 HA CYS 25 HA CYS 25 10.237 -6.634 -18.066 186 1HB CYS 25 HB2 CYS 25 8.791 -4.230 -16.913 187 2HB CYS 25 HB3 CYS 25 10.404 -4.773 -16.494 188 H GLU 26 H GLU 26 9.843 -7.134 -15.607 189 HA GLU 26 HA GLU 26 7.284 -8.493 -15.259 190 1HB GLU 26 HB2 GLU 26 9.926 -8.397 -13.846 191 2HB GLU 26 HB3 GLU 26 8.511 -8.756 -12.863 192 1HG GLU 26 HG2 GLU 26 7.865 -10.588 -14.340 193 2HG GLU 26 HG3 GLU 26 9.317 -10.315 -15.347 194 H ASP 27 H ASP 27 5.704 -7.032 -15.077 195 HA ASP 27 HA ASP 27 4.431 -5.334 -14.370 196 1HB ASP 27 HB2 ASP 27 4.020 -7.290 -12.902 197 2HB ASP 27 HB3 ASP 27 5.030 -6.556 -11.664 198 H TYR 28 H TYR 28 6.962 -4.380 -14.811 199 HA TYR 28 HA TYR 28 7.845 -2.534 -12.806 200 1HB TYR 28 HB2 TYR 28 9.254 -3.439 -14.659 201 2HB TYR 28 HB3 TYR 28 8.235 -2.583 -15.813 202 HD1 TYR 28 HD1 TYR 28 11.288 -2.409 -14.091 203 HD2 TYR 28 HD2 TYR 28 8.096 0.034 -15.631 204 HE1 TYR 28 HE1 TYR 28 12.760 -0.392 -13.965 205 HE2 TYR 28 HE2 TYR 28 9.553 2.000 -15.542 206 HH TYR 28 HH TYR 28 11.577 2.856 -14.805 207 H ASP 29 H ASP 29 7.394 -0.316 -12.611 208 HA ASP 29 HA ASP 29 4.911 0.613 -14.017 209 1HB ASP 29 HB2 ASP 29 5.545 1.628 -11.269 210 2HB ASP 29 HB3 ASP 29 4.011 1.349 -12.072 211 H LEU 30 H LEU 30 4.621 2.965 -14.053 212 HA LEU 30 HA LEU 30 6.781 4.608 -12.967 213 1HB LEU 30 HB2 LEU 30 5.848 4.687 -15.873 214 2HB LEU 30 HB3 LEU 30 6.681 6.001 -15.075 215 HG LEU 30 HG LEU 30 7.774 3.202 -15.589 216 1HD1 LEU 30 1HD1 LEU 30 8.620 5.875 -16.761 217 2HD1 LEU 30 2HD1 LEU 30 9.296 4.283 -17.139 218 3HD1 LEU 30 3HD1 LEU 30 7.591 4.664 -17.568 219 1HD2 LEU 30 1HD2 LEU 30 9.977 4.165 -14.864 220 2HD2 LEU 30 2HD2 LEU 30 9.155 5.669 -14.382 221 3HD2 LEU 30 3HD2 LEU 30 8.826 4.175 -13.517 222 H CYS 31 H CYS 31 5.904 6.441 -11.987 223 HA CYS 31 HA CYS 31 3.100 7.023 -12.149 224 1HB CYS 31 HB2 CYS 31 3.660 9.053 -11.034 225 2HB CYS 31 HB3 CYS 31 4.481 7.766 -10.180 226 H ILE 32 H ILE 32 2.425 9.153 -12.988 227 HA ILE 32 HA ILE 32 2.762 9.254 -15.727 228 HB ILE 32 HB ILE 32 1.856 11.563 -13.952 229 1HG1 ILE 32 2HG1 ILE 32 0.627 9.730 -13.063 230 2HG1 ILE 32 3HG1 ILE 32 -0.458 10.563 -14.151 231 1HG2 ILE 32 1HG2 ILE 32 1.200 10.750 -16.812 232 2HG2 ILE 32 2HG2 ILE 32 0.392 12.054 -15.923 233 3HG2 ILE 32 3HG2 ILE 32 2.137 12.160 -16.251 234 1HD1 ILE 32 1HD1 ILE 32 -0.138 8.876 -15.838 235 2HD1 ILE 32 2HD1 ILE 32 1.002 7.948 -14.796 236 3HD1 ILE 32 3HD1 ILE 32 -0.676 8.121 -14.325 237 H ASN 33 H ASN 33 4.313 11.274 -13.264 238 HA ASN 33 HA ASN 33 5.631 13.039 -15.101 239 1HB ASN 33 HB2 ASN 33 5.395 13.853 -12.875 240 2HB ASN 33 HB3 ASN 33 5.913 12.339 -12.137 241 1HD2 ASN 33 2HD2 ASN 33 8.242 11.811 -12.084 242 2HD2 ASN 33 1HD2 ASN 33 9.370 13.140 -12.216 243 H CYS 34 H CYS 34 6.684 10.018 -13.512 244 HA CYS 34 HA CYS 34 9.316 10.182 -14.661 245 1HB CYS 34 HB2 CYS 34 7.740 7.950 -13.323 246 2HB CYS 34 HB3 CYS 34 9.319 7.675 -14.099 247 H TYR 35 H TYR 35 6.276 8.509 -15.658 248 HA TYR 35 HA TYR 35 7.418 7.264 -17.908 249 1HB TYR 35 HB2 TYR 35 5.125 6.791 -17.102 250 2HB TYR 35 HB3 TYR 35 4.588 8.394 -17.595 251 HD1 TYR 35 HD1 TYR 35 6.527 5.569 -19.240 252 HD2 TYR 35 HD2 TYR 35 3.272 8.409 -19.528 253 HE1 TYR 35 HE1 TYR 35 6.056 4.770 -21.508 254 HE2 TYR 35 HE2 TYR 35 2.816 7.606 -21.847 255 HH TYR 35 HH TYR 35 4.732 4.954 -23.343 256 H ASN 36 H ASN 36 6.099 10.514 -17.500 257 HA ASN 36 HA ASN 36 6.357 11.466 -20.138 258 1HB ASN 36 HB2 ASN 36 5.913 12.653 -17.403 259 2HB ASN 36 HB3 ASN 36 6.523 13.773 -18.564 260 1HD2 ASN 36 2HD2 ASN 36 3.894 11.419 -18.158 261 2HD2 ASN 36 1HD2 ASN 36 2.754 12.285 -19.209 262 H THR 37 H THR 37 8.923 10.842 -17.921 263 HA THR 37 HA THR 37 10.709 12.636 -19.530 264 HB THR 37 HB THR 37 12.060 12.845 -17.392 265 HG1 THR 37 HG1 THR 37 9.666 12.149 -16.076 266 1HG2 THR 37 1HG2 THR 37 10.612 14.679 -18.174 267 2HG2 THR 37 2HG2 THR 37 9.252 14.014 -17.244 268 3HG2 THR 37 3HG2 THR 37 10.709 14.577 -16.391 269 H LYS 38 H LYS 38 10.594 9.695 -17.574 270 HA LYS 38 HA LYS 38 13.227 8.755 -18.237 271 1HB LYS 38 HB2 LYS 38 10.869 7.147 -17.233 272 2HB LYS 38 HB3 LYS 38 12.575 6.746 -17.070 273 1HG LYS 38 HG2 LYS 38 11.218 9.153 -15.718 274 2HG LYS 38 HG3 LYS 38 11.476 7.599 -14.973 275 1HD LYS 38 HD2 LYS 38 13.882 7.925 -15.056 276 2HD LYS 38 HD3 LYS 38 13.692 9.409 -16.015 277 1HE LYS 38 HE2 LYS 38 14.103 10.003 -13.724 278 2HE LYS 38 HE3 LYS 38 12.455 10.496 -14.193 279 1HZ LYS 38 HZ1 LYS 38 12.621 9.424 -11.969 280 2HZ LYS 38 HZ2 LYS 38 11.613 8.619 -12.952 281 3HZ LYS 38 HZ3 LYS 38 13.146 8.062 -12.677 282 H SER 39 H SER 39 10.660 9.043 -20.308 283 HA SER 39 HA SER 39 10.019 8.050 -22.223 284 1HB SER 39 HB2 SER 39 13.047 8.045 -22.544 285 2HB SER 39 HB3 SER 39 11.850 8.168 -23.838 286 HG SER 39 HG SER 39 12.452 10.061 -21.810 287 H HIS 40 H HIS 40 9.680 6.023 -20.538 288 HA HIS 40 HA HIS 40 11.079 3.594 -21.282 289 1HB HIS 40 HB2 HIS 40 9.233 4.411 -19.291 290 2HB HIS 40 HB3 HIS 40 8.398 3.195 -20.251 291 HD1 HIS 40 HD1 HIS 40 11.455 3.471 -17.908 292 HD2 HIS 40 HD2 HIS 40 9.391 0.719 -20.293 293 HE1 HIS 40 HE1 HIS 40 12.256 1.142 -17.192 294 H THR 41 H THR 41 10.998 2.911 -23.285 295 HA THR 41 HA THR 41 8.846 3.748 -25.031 296 HB THR 41 HB THR 41 11.073 2.167 -26.123 297 HG1 THR 41 HG1 THR 41 11.795 4.450 -24.641 298 1HG2 THR 41 1HG2 THR 41 10.307 5.078 -26.570 299 2HG2 THR 41 2HG2 THR 41 11.379 4.097 -27.598 300 3HG2 THR 41 3HG2 THR 41 9.653 3.689 -27.467 301 H HIS 42 H HIS 42 8.978 1.001 -23.097 302 HA HIS 42 HA HIS 42 8.657 -0.960 -25.195 303 1HB HIS 42 HB2 HIS 42 8.171 -1.200 -22.245 304 2HB HIS 42 HB3 HIS 42 8.613 -2.493 -23.422 305 HD2 HIS 42 HD2 HIS 42 11.258 -1.095 -24.647 306 HE1 HIS 42 HE1 HIS 42 12.594 -1.014 -20.590 307 HE2 HIS 42 HE2 HIS 42 13.326 -0.828 -23.046 308 H LYS 43 H LYS 43 6.827 -2.606 -24.900 309 HA LYS 43 HA LYS 43 4.285 -1.291 -25.231 310 1HB LYS 43 HB2 LYS 43 4.874 -3.472 -26.309 311 2HB LYS 43 HB3 LYS 43 4.804 -4.244 -24.706 312 1HG LYS 43 HG2 LYS 43 2.373 -3.231 -24.570 313 2HG LYS 43 HG3 LYS 43 2.590 -2.829 -26.255 314 1HD LYS 43 HD2 LYS 43 1.427 -4.771 -26.373 315 2HD LYS 43 HD3 LYS 43 3.063 -5.376 -26.604 316 1HE LYS 43 HE2 LYS 43 1.602 -5.291 -23.910 317 2HE LYS 43 HE3 LYS 43 1.467 -6.669 -24.997 318 1HZ LYS 43 HZ1 LYS 43 3.114 -7.017 -23.303 319 2HZ LYS 43 HZ2 LYS 43 3.888 -6.972 -24.761 320 3HZ LYS 43 HZ3 LYS 43 3.915 -5.708 -23.678 321 H MET 44 H MET 44 3.552 -0.156 -23.518 322 HA MET 44 HA MET 44 3.330 -1.481 -20.856 323 1HB MET 44 HB2 MET 44 3.436 1.392 -21.842 324 2HB MET 44 HB3 MET 44 2.797 0.976 -20.226 325 1HG MET 44 HG2 MET 44 4.713 0.111 -19.465 326 2HG MET 44 HG3 MET 44 5.528 -0.018 -20.998 327 1HE MET 44 HE1 MET 44 4.646 1.909 -17.836 328 2HE MET 44 HE2 MET 44 6.241 1.166 -17.932 329 3HE MET 44 HE3 MET 44 6.117 2.931 -17.795 330 H VAL 45 H VAL 45 1.377 -0.560 -19.697 331 HA VAL 45 HA VAL 45 -1.097 -0.291 -21.234 332 HB VAL 45 HB VAL 45 -2.117 -1.492 -19.281 333 1HG1 VAL 45 1HG1 VAL 45 -1.962 -2.552 -21.542 334 2HG1 VAL 45 2HG1 VAL 45 -0.370 -3.239 -21.092 335 3HG1 VAL 45 3HG1 VAL 45 -1.836 -3.753 -20.262 336 1HG2 VAL 45 1HG2 VAL 45 0.699 -2.489 -18.807 337 2HG2 VAL 45 2HG2 VAL 45 -0.342 -1.555 -17.722 338 3HG2 VAL 45 3HG2 VAL 45 -0.737 -3.259 -18.157 339 H LYS 46 H LYS 46 -2.673 0.694 -19.301 340 HA LYS 46 HA LYS 46 -1.184 2.509 -17.506 341 1HB LYS 46 HB2 LYS 46 -1.402 3.830 -19.499 342 2HB LYS 46 HB3 LYS 46 -3.083 3.383 -19.731 343 1HG LYS 46 HG2 LYS 46 -2.085 4.993 -17.323 344 2HG LYS 46 HG3 LYS 46 -2.498 5.743 -18.865 345 1HD LYS 46 HD2 LYS 46 -4.861 4.666 -18.598 346 2HD LYS 46 HD3 LYS 46 -4.375 4.333 -16.933 347 1HE LYS 46 HE2 LYS 46 -5.630 6.331 -16.907 348 2HE LYS 46 HE3 LYS 46 -3.971 6.706 -16.500 349 1HZ LYS 46 HZ1 LYS 46 -4.975 7.152 -19.271 350 2HZ LYS 46 HZ2 LYS 46 -5.070 8.248 -18.037 351 3HZ LYS 46 HZ3 LYS 46 -3.670 7.802 -18.463 352 H TRP 47 H TRP 47 -2.274 2.627 -15.642 353 HA TRP 47 HA TRP 47 -5.083 1.651 -15.559 354 1HB TRP 47 HB2 TRP 47 -2.986 1.096 -13.419 355 2HB TRP 47 HB3 TRP 47 -4.625 0.463 -13.501 356 HD1 TRP 47 HD1 TRP 47 -1.155 -0.272 -14.519 357 HE1 TRP 47 HE1 TRP 47 -0.995 -2.361 -16.002 358 HE3 TRP 47 HE3 TRP 47 -6.069 -0.732 -15.819 359 HZ2 TRP 47 HZ2 TRP 47 -2.713 -3.799 -17.847 360 HZ3 TRP 47 HZ3 TRP 47 -6.704 -2.305 -17.639 361 HH2 TRP 47 HH2 TRP 47 -5.056 -3.850 -18.601 362 H GLY 48 H GLY 48 -6.315 3.367 -14.804 363 1HA GLY 48 HA2 GLY 48 -4.897 5.339 -13.156 364 2HA GLY 48 HA3 GLY 48 -5.574 5.898 -14.724 365 H LEU 49 H LEU 49 -5.988 6.404 -11.871 366 HA LEU 49 HA LEU 49 -8.918 5.965 -11.614 367 1HB LEU 49 HB2 LEU 49 -6.718 5.480 -9.581 368 2HB LEU 49 HB3 LEU 49 -8.373 5.757 -9.108 369 HG LEU 49 HG LEU 49 -8.048 3.514 -9.039 370 1HD1 LEU 49 1HD1 LEU 49 -9.640 3.873 -11.592 371 2HD1 LEU 49 2HD1 LEU 49 -9.795 2.583 -10.374 372 3HD1 LEU 49 3HD1 LEU 49 -10.235 4.251 -9.961 373 1HD2 LEU 49 1HD2 LEU 49 -7.102 2.026 -10.543 374 2HD2 LEU 49 2HD2 LEU 49 -7.374 3.075 -11.939 375 3HD2 LEU 49 3HD2 LEU 49 -6.085 3.453 -10.773 376 H GLY 50 H GLY 50 -6.370 8.321 -11.725 377 1HA GLY 50 HA2 GLY 50 -8.244 10.394 -11.083 378 2HA GLY 50 HA3 GLY 50 -7.218 10.089 -9.695 379 H LEU 51 H LEU 51 -4.700 9.643 -11.085 380 HA LEU 51 HA LEU 51 -4.061 12.437 -11.466 381 1HB LEU 51 HB2 LEU 51 -2.846 10.666 -10.139 382 2HB LEU 51 HB3 LEU 51 -2.230 10.023 -11.668 383 HG LEU 51 HG LEU 51 -0.979 12.105 -12.059 384 1HD1 LEU 51 1HD1 LEU 51 -2.400 13.750 -10.823 385 2HD1 LEU 51 2HD1 LEU 51 -2.060 12.909 -9.302 386 3HD1 LEU 51 3HD1 LEU 51 -0.755 13.749 -10.176 387 1HD2 LEU 51 1HD2 LEU 51 -0.579 10.807 -9.313 388 2HD2 LEU 51 2HD2 LEU 51 0.036 10.191 -10.850 389 3HD2 LEU 51 3HD2 LEU 51 0.658 11.719 -10.191 390 H ASP 52 H ASP 52 -4.792 9.910 -13.731 391 HA ASP 52 HA ASP 52 -4.508 11.488 -16.080 392 1HB ASP 52 HB2 ASP 52 -2.256 11.165 -16.337 393 2HB ASP 52 HB3 ASP 52 -2.229 9.784 -15.250 Start of MODEL 6 1 1H GLY 1 H1 GLY 1 3.867 -3.769 -10.298 2 2H GLY 1 H2 GLY 1 4.157 -2.218 -9.897 3 3H GLY 1 H3 GLY 1 5.234 -3.393 -9.480 4 1HA GLY 1 HA2 GLY 1 3.479 -4.437 -8.110 5 2HA GLY 1 HA3 GLY 1 3.989 -2.840 -7.509 6 H GLN 2 H GLN 2 1.264 -4.315 -7.244 7 HA GLN 2 HA GLN 2 -0.389 -2.029 -7.977 8 1HB GLN 2 HB2 GLN 2 -1.971 -3.343 -9.246 9 2HB GLN 2 HB3 GLN 2 -0.400 -3.464 -10.033 10 1HG GLN 2 HG2 GLN 2 -1.634 -5.610 -8.246 11 2HG GLN 2 HG3 GLN 2 -1.625 -5.641 -10.001 12 1HE2 GLN 2 2HE2 GLN 2 0.590 -5.586 -11.088 13 2HE2 GLN 2 1HE2 GLN 2 1.919 -6.308 -10.254 14 H ASP 3 H ASP 3 -2.545 -2.335 -7.395 15 HA ASP 3 HA ASP 3 -3.546 -4.094 -5.339 16 1HB ASP 3 HB2 ASP 3 -2.621 -2.446 -3.823 17 2HB ASP 3 HB3 ASP 3 -3.076 -1.102 -4.893 18 H ARG 4 H ARG 4 -5.966 -3.303 -5.227 19 HA ARG 4 HA ARG 4 -6.965 -3.086 -7.904 20 1HB ARG 4 HB2 ARG 4 -9.216 -2.793 -6.815 21 2HB ARG 4 HB3 ARG 4 -8.346 -4.280 -6.449 22 1HG ARG 4 HG2 ARG 4 -9.488 -3.502 -4.505 23 2HG ARG 4 HG3 ARG 4 -7.750 -3.484 -4.244 24 1HD ARG 4 HD2 ARG 4 -7.653 -1.089 -4.379 25 2HD ARG 4 HD3 ARG 4 -9.300 -0.994 -5.035 26 HE ARG 4 HE ARG 4 -10.146 -0.987 -2.963 27 1HH1 ARG 4 1HH2 ARG 4 -6.722 -1.955 -2.692 28 2HH1 ARG 4 2HH2 ARG 4 -6.676 -1.944 -1.013 29 1HH2 ARG 4 1HH1 ARG 4 -10.145 -1.015 -0.693 30 2HH2 ARG 4 2HH1 ARG 4 -8.689 -1.338 0.195 31 H PHE 5 H PHE 5 -6.119 -0.534 -5.604 32 HA PHE 5 HA PHE 5 -6.659 1.332 -7.793 33 1HB PHE 5 HB2 PHE 5 -7.902 2.949 -6.526 34 2HB PHE 5 HB3 PHE 5 -8.746 1.433 -6.701 35 HD1 PHE 5 HD1 PHE 5 -6.215 1.518 -3.946 36 HD2 PHE 5 HD2 PHE 5 -10.301 2.404 -5.027 37 HE1 PHE 5 HE1 PHE 5 -6.808 1.634 -1.581 38 HE2 PHE 5 HE2 PHE 5 -10.899 2.452 -2.616 39 HZ PHE 5 HZ PHE 5 -9.133 2.107 -0.880 40 H VAL 6 H VAL 6 -4.398 0.175 -5.956 41 HA VAL 6 HA VAL 6 -2.926 2.721 -5.926 42 HB VAL 6 HB VAL 6 -3.410 0.802 -3.657 43 1HG1 VAL 6 1HG1 VAL 6 -1.309 1.320 -2.537 44 2HG1 VAL 6 2HG1 VAL 6 -1.030 0.385 -4.020 45 3HG1 VAL 6 3HG1 VAL 6 -0.708 2.142 -3.979 46 1HG2 VAL 6 1HG2 VAL 6 -2.588 3.734 -3.792 47 2HG2 VAL 6 2HG2 VAL 6 -4.270 3.164 -3.821 48 3HG2 VAL 6 3HG2 VAL 6 -3.264 2.859 -2.381 49 H TYR 7 H TYR 7 -0.698 2.377 -6.288 50 HA TYR 7 HA TYR 7 0.231 -0.101 -7.595 51 1HB TYR 7 HB2 TYR 7 -0.187 2.640 -8.845 52 2HB TYR 7 HB3 TYR 7 0.642 1.371 -9.669 53 HD1 TYR 7 HD1 TYR 7 -0.871 -0.892 -10.007 54 HD2 TYR 7 HD2 TYR 7 -2.490 2.889 -8.831 55 HE1 TYR 7 HE1 TYR 7 -3.128 -1.640 -10.758 56 HE2 TYR 7 HE2 TYR 7 -4.749 2.052 -9.226 57 HH TYR 7 HH TYR 7 -6.055 0.326 -10.178 58 H THR 8 H THR 8 2.521 0.864 -8.682 59 HA THR 8 HA THR 8 3.730 2.805 -6.772 60 HB THR 8 HB THR 8 5.842 1.258 -7.412 61 HG1 THR 8 HG1 THR 8 4.983 -0.358 -8.532 62 1HG2 THR 8 1HG2 THR 8 3.876 0.381 -5.279 63 2HG2 THR 8 2HG2 THR 8 5.642 0.082 -5.301 64 3HG2 THR 8 3HG2 THR 8 5.028 1.730 -5.118 65 H CYS 9 H CYS 9 5.749 3.728 -7.735 66 HA CYS 9 HA CYS 9 5.726 3.845 -10.729 67 1HB CYS 9 HB2 CYS 9 5.531 6.157 -9.843 68 2HB CYS 9 HB3 CYS 9 6.844 5.827 -8.703 69 H ASN 10 H ASN 10 7.317 2.193 -11.162 70 HA ASN 10 HA ASN 10 9.059 1.340 -9.080 71 1HB ASN 10 HB2 ASN 10 8.140 -0.135 -10.912 72 2HB ASN 10 HB3 ASN 10 9.302 0.627 -12.009 73 1HD2 ASN 10 2HD2 ASN 10 10.938 -0.946 -12.277 74 2HD2 ASN 10 1HD2 ASN 10 11.686 -1.816 -10.943 75 H GLU 11 H GLU 11 9.183 4.183 -10.744 76 HA GLU 11 HA GLU 11 12.101 4.188 -10.698 77 1HB GLU 11 HB2 GLU 11 10.206 5.662 -12.345 78 2HB GLU 11 HB3 GLU 11 11.358 6.702 -11.537 79 1HG GLU 11 HG2 GLU 11 12.184 4.192 -13.086 80 2HG GLU 11 HG3 GLU 11 12.272 5.833 -13.735 81 H CYS 12 H CYS 12 9.282 5.347 -8.984 82 HA CYS 12 HA CYS 12 11.021 7.051 -7.248 83 1HB CYS 12 HB2 CYS 12 8.022 6.601 -7.150 84 2HB CYS 12 HB3 CYS 12 8.956 7.825 -6.263 85 H LYS 13 H LYS 13 9.450 4.000 -7.475 86 HA LYS 13 HA LYS 13 8.958 2.260 -6.118 87 1HB LYS 13 HB2 LYS 13 11.741 2.889 -5.040 88 2HB LYS 13 HB3 LYS 13 10.746 1.530 -4.494 89 1HG LYS 13 HG2 LYS 13 11.539 0.300 -6.128 90 2HG LYS 13 HG3 LYS 13 10.559 1.222 -7.234 91 1HD LYS 13 HD2 LYS 13 13.525 1.462 -6.750 92 2HD LYS 13 HD3 LYS 13 12.615 1.115 -8.230 93 1HE LYS 13 HE2 LYS 13 11.680 3.488 -8.050 94 2HE LYS 13 HE3 LYS 13 12.889 3.817 -6.816 95 1HZ LYS 13 HZ1 LYS 13 14.573 3.231 -8.578 96 2HZ LYS 13 HZ2 LYS 13 13.326 3.058 -9.637 97 3HZ LYS 13 HZ3 LYS 13 13.608 4.487 -8.976 98 H HIS 14 H HIS 14 7.601 4.308 -5.783 99 HA HIS 14 HA HIS 14 6.801 4.218 -2.960 100 1HB HIS 14 HB2 HIS 14 8.038 6.311 -3.211 101 2HB HIS 14 HB3 HIS 14 7.127 6.727 -4.664 102 HD2 HIS 14 HD2 HIS 14 5.147 8.272 -4.309 103 HE1 HIS 14 HE1 HIS 14 3.892 7.054 -0.443 104 HE2 HIS 14 HE2 HIS 14 3.391 8.559 -2.434 105 H HIS 15 H HIS 15 4.537 4.846 -2.802 106 HA HIS 15 HA HIS 15 2.992 3.444 -4.796 107 1HB HIS 15 HB2 HIS 15 2.258 4.794 -2.177 108 2HB HIS 15 HB3 HIS 15 1.057 4.060 -3.234 109 HD2 HIS 15 HD2 HIS 15 1.413 1.420 -3.854 110 HE1 HIS 15 HE1 HIS 15 3.377 0.530 -0.172 111 HE2 HIS 15 HE2 HIS 15 2.172 -0.473 -2.203 112 H VAL 16 H VAL 16 1.282 4.166 -6.009 113 HA VAL 16 HA VAL 16 0.728 7.033 -6.340 114 HB VAL 16 HB VAL 16 1.158 6.961 -8.687 115 1HG1 VAL 16 1HG1 VAL 16 3.246 7.334 -7.414 116 2HG1 VAL 16 2HG1 VAL 16 3.555 5.584 -7.377 117 3HG1 VAL 16 3HG1 VAL 16 3.550 6.410 -8.922 118 1HG2 VAL 16 1HG2 VAL 16 1.794 3.980 -8.478 119 2HG2 VAL 16 2HG2 VAL 16 0.382 4.725 -9.260 120 3HG2 VAL 16 3HG2 VAL 16 1.995 4.982 -9.921 121 H GLU 17 H GLU 17 -1.417 7.228 -7.647 122 HA GLU 17 HA GLU 17 -3.159 4.898 -7.062 123 1HB GLU 17 HB2 GLU 17 -4.953 6.700 -7.596 124 2HB GLU 17 HB3 GLU 17 -4.179 6.642 -6.015 125 1HG GLU 17 HG2 GLU 17 -4.490 8.947 -6.870 126 2HG GLU 17 HG3 GLU 17 -2.804 8.554 -6.531 127 H THR 18 H THR 18 -1.705 6.716 -9.606 128 HA THR 18 HA THR 18 -3.017 4.998 -11.652 129 HB THR 18 HB THR 18 -2.486 7.998 -11.644 130 HG1 THR 18 HG1 THR 18 -4.295 7.810 -10.740 131 1HG2 THR 18 1HG2 THR 18 -3.051 6.095 -13.932 132 2HG2 THR 18 2HG2 THR 18 -3.893 7.652 -13.892 133 3HG2 THR 18 3HG2 THR 18 -2.088 7.549 -13.849 134 H ARG 19 H ARG 19 -1.509 4.116 -13.136 135 HA ARG 19 HA ARG 19 1.201 5.262 -13.209 136 1HB ARG 19 HB2 ARG 19 2.370 3.218 -12.729 137 2HB ARG 19 HB3 ARG 19 1.251 3.433 -11.400 138 1HG ARG 19 HG2 ARG 19 -0.327 1.867 -12.391 139 2HG ARG 19 HG3 ARG 19 0.707 1.649 -13.825 140 1HD ARG 19 HD2 ARG 19 2.259 0.341 -12.797 141 2HD ARG 19 HD3 ARG 19 1.777 0.780 -11.169 142 HE ARG 19 HE ARG 19 -0.492 -0.287 -11.895 143 1HH1 ARG 19 1HH2 ARG 19 2.714 -1.828 -12.110 144 2HH1 ARG 19 2HH2 ARG 19 2.122 -3.313 -12.671 145 1HH2 ARG 19 1HH1 ARG 19 -1.256 -2.332 -12.817 146 2HH2 ARG 19 2HH1 ARG 19 -0.067 -3.553 -13.142 147 H TRP 20 H TRP 20 2.533 4.102 -14.785 148 HA TRP 20 HA TRP 20 1.126 3.115 -17.203 149 1HB TRP 20 HB2 TRP 20 3.824 4.428 -16.810 150 2HB TRP 20 HB3 TRP 20 3.172 3.781 -18.333 151 HD1 TRP 20 HD1 TRP 20 2.627 6.626 -15.819 152 HE1 TRP 20 HE1 TRP 20 1.066 8.391 -16.796 153 HE3 TRP 20 HE3 TRP 20 1.601 4.427 -20.267 154 HZ2 TRP 20 HZ2 TRP 20 -0.503 8.796 -19.141 155 HZ3 TRP 20 HZ3 TRP 20 0.031 5.504 -21.898 156 HH2 TRP 20 HH2 TRP 20 -1.066 7.667 -21.323 157 H HIS 21 H HIS 21 1.818 0.904 -17.616 158 HA HIS 21 HA HIS 21 3.772 -0.251 -15.695 159 1HB HIS 21 HB2 HIS 21 1.822 -0.797 -14.651 160 2HB HIS 21 HB3 HIS 21 0.861 -0.838 -16.091 161 HD2 HIS 21 HD2 HIS 21 3.951 -3.180 -16.005 162 HE1 HIS 21 HE1 HIS 21 0.536 -5.620 -15.416 163 HE2 HIS 21 HE2 HIS 21 3.048 -5.594 -15.828 164 H CYS 22 H CYS 22 5.276 -1.249 -16.783 165 HA CYS 22 HA CYS 22 5.251 -1.809 -19.609 166 1HB CYS 22 HB2 CYS 22 7.061 -1.732 -17.277 167 2HB CYS 22 HB3 CYS 22 7.374 -3.122 -18.338 168 H THR 23 H THR 23 4.357 -3.458 -20.544 169 HA THR 23 HA THR 23 3.998 -5.992 -18.992 170 HB THR 23 HB THR 23 2.265 -6.600 -20.747 171 HG1 THR 23 HG1 THR 23 3.117 -4.309 -21.813 172 1HG2 THR 23 1HG2 THR 23 1.951 -4.072 -19.134 173 2HG2 THR 23 2HG2 THR 23 0.598 -5.152 -19.627 174 3HG2 THR 23 3HG2 THR 23 1.796 -5.695 -18.442 175 H VAL 24 H VAL 24 6.315 -4.920 -20.375 176 HA VAL 24 HA VAL 24 7.330 -7.064 -22.103 177 HB VAL 24 HB VAL 24 7.381 -4.825 -22.957 178 1HG1 VAL 24 1HG1 VAL 24 7.445 -3.818 -20.276 179 2HG1 VAL 24 2HG1 VAL 24 8.673 -3.092 -21.227 180 3HG1 VAL 24 3HG1 VAL 24 6.946 -3.087 -21.790 181 1HG2 VAL 24 1HG2 VAL 24 9.742 -4.240 -23.143 182 2HG2 VAL 24 2HG2 VAL 24 10.106 -5.072 -21.630 183 3HG2 VAL 24 3HG2 VAL 24 9.624 -6.015 -23.052 184 H CYS 25 H CYS 25 8.258 -4.875 -19.452 185 HA CYS 25 HA CYS 25 10.264 -6.564 -18.261 186 1HB CYS 25 HB2 CYS 25 8.744 -4.244 -17.021 187 2HB CYS 25 HB3 CYS 25 10.397 -4.744 -16.662 188 H GLU 26 H GLU 26 10.015 -6.988 -15.823 189 HA GLU 26 HA GLU 26 7.610 -8.590 -15.289 190 1HB GLU 26 HB2 GLU 26 10.332 -8.322 -14.055 191 2HB GLU 26 HB3 GLU 26 8.995 -8.670 -12.956 192 1HG GLU 26 HG2 GLU 26 8.273 -10.550 -14.280 193 2HG GLU 26 HG3 GLU 26 9.564 -10.275 -15.446 194 H ASP 27 H ASP 27 6.005 -6.989 -15.314 195 HA ASP 27 HA ASP 27 4.652 -5.393 -14.480 196 1HB ASP 27 HB2 ASP 27 4.283 -7.343 -13.029 197 2HB ASP 27 HB3 ASP 27 5.482 -6.738 -11.901 198 H TYR 28 H TYR 28 7.071 -4.275 -15.015 199 HA TYR 28 HA TYR 28 7.979 -2.495 -12.911 200 1HB TYR 28 HB2 TYR 28 9.380 -3.322 -14.806 201 2HB TYR 28 HB3 TYR 28 8.377 -2.447 -15.930 202 HD1 TYR 28 HD1 TYR 28 11.340 -2.261 -13.963 203 HD2 TYR 28 HD2 TYR 28 8.241 0.139 -15.761 204 HE1 TYR 28 HE1 TYR 28 12.795 -0.237 -13.801 205 HE2 TYR 28 HE2 TYR 28 9.712 2.121 -15.656 206 HH TYR 28 HH TYR 28 12.975 2.022 -14.208 207 H ASP 29 H ASP 29 7.456 -0.301 -12.675 208 HA ASP 29 HA ASP 29 4.943 0.613 -14.043 209 1HB ASP 29 HB2 ASP 29 5.573 1.597 -11.295 210 2HB ASP 29 HB3 ASP 29 4.050 1.316 -12.084 211 H LEU 30 H LEU 30 4.658 2.957 -14.048 212 HA LEU 30 HA LEU 30 6.801 4.628 -12.982 213 1HB LEU 30 HB2 LEU 30 5.878 4.690 -15.890 214 2HB LEU 30 HB3 LEU 30 6.661 6.008 -15.055 215 HG LEU 30 HG LEU 30 7.853 3.284 -15.705 216 1HD1 LEU 30 1HD1 LEU 30 7.687 4.927 -17.595 217 2HD1 LEU 30 2HD1 LEU 30 8.607 6.106 -16.628 218 3HD1 LEU 30 3HD1 LEU 30 9.369 4.604 -17.159 219 1HD2 LEU 30 1HD2 LEU 30 9.268 5.657 -14.361 220 2HD2 LEU 30 2HD2 LEU 30 8.818 4.184 -13.507 221 3HD2 LEU 30 3HD2 LEU 30 10.006 4.098 -14.798 222 H CYS 31 H CYS 31 5.873 6.482 -12.063 223 HA CYS 31 HA CYS 31 3.021 7.029 -12.317 224 1HB CYS 31 HB2 CYS 31 3.560 9.047 -11.121 225 2HB CYS 31 HB3 CYS 31 4.309 7.713 -10.265 226 H ILE 32 H ILE 32 2.324 9.192 -13.027 227 HA ILE 32 HA ILE 32 2.597 9.375 -15.763 228 HB ILE 32 HB ILE 32 1.857 11.608 -13.799 229 1HG1 ILE 32 2HG1 ILE 32 0.385 9.764 -13.212 230 2HG1 ILE 32 3HG1 ILE 32 -0.499 10.961 -14.118 231 1HG2 ILE 32 1HG2 ILE 32 1.275 11.201 -16.747 232 2HG2 ILE 32 2HG2 ILE 32 0.381 12.347 -15.741 233 3HG2 ILE 32 3HG2 ILE 32 2.139 12.535 -15.962 234 1HD1 ILE 32 1HD1 ILE 32 -1.281 9.008 -15.046 235 2HD1 ILE 32 2HD1 ILE 32 -0.069 9.478 -16.196 236 3HD1 ILE 32 3HD1 ILE 32 0.316 8.204 -14.988 237 H ASN 33 H ASN 33 4.347 11.202 -13.266 238 HA ASN 33 HA ASN 33 5.664 13.017 -15.072 239 1HB ASN 33 HB2 ASN 33 5.330 13.716 -12.797 240 2HB ASN 33 HB3 ASN 33 5.992 12.239 -12.131 241 1HD2 ASN 33 2HD2 ASN 33 8.274 12.016 -11.842 242 2HD2 ASN 33 1HD2 ASN 33 9.360 13.332 -12.201 243 H CYS 34 H CYS 34 6.714 9.958 -13.504 244 HA CYS 34 HA CYS 34 9.366 10.127 -14.654 245 1HB CYS 34 HB2 CYS 34 7.772 7.897 -13.340 246 2HB CYS 34 HB3 CYS 34 9.369 7.661 -14.088 247 H TYR 35 H TYR 35 6.338 8.475 -15.648 248 HA TYR 35 HA TYR 35 7.289 7.207 -17.978 249 1HB TYR 35 HB2 TYR 35 5.084 6.805 -17.141 250 2HB TYR 35 HB3 TYR 35 4.634 8.485 -17.308 251 HD1 TYR 35 HD1 TYR 35 5.791 5.577 -19.432 252 HD2 TYR 35 HD2 TYR 35 3.362 9.128 -19.188 253 HE1 TYR 35 HE1 TYR 35 4.813 5.070 -21.651 254 HE2 TYR 35 HE2 TYR 35 2.437 8.669 -21.408 255 HH TYR 35 HH TYR 35 2.283 7.141 -23.168 256 H ASN 36 H ASN 36 6.138 10.540 -17.527 257 HA ASN 36 HA ASN 36 6.430 11.559 -20.130 258 1HB ASN 36 HB2 ASN 36 6.046 12.618 -17.392 259 2HB ASN 36 HB3 ASN 36 6.813 13.749 -18.424 260 1HD2 ASN 36 2HD2 ASN 36 3.878 12.057 -17.830 261 2HD2 ASN 36 1HD2 ASN 36 2.905 12.881 -19.061 262 H THR 37 H THR 37 9.037 10.749 -17.968 263 HA THR 37 HA THR 37 10.841 12.529 -19.580 264 HB THR 37 HB THR 37 12.182 12.745 -17.470 265 HG1 THR 37 HG1 THR 37 9.844 12.094 -16.044 266 1HG2 THR 37 1HG2 THR 37 10.810 14.589 -18.210 267 2HG2 THR 37 2HG2 THR 37 9.395 13.950 -17.372 268 3HG2 THR 37 3HG2 THR 37 10.794 14.487 -16.436 269 H LYS 38 H LYS 38 10.731 9.592 -17.577 270 HA LYS 38 HA LYS 38 13.331 8.707 -18.262 271 1HB LYS 38 HB2 LYS 38 11.001 7.009 -17.357 272 2HB LYS 38 HB3 LYS 38 12.708 6.616 -17.147 273 1HG LYS 38 HG2 LYS 38 11.325 9.007 -15.807 274 2HG LYS 38 HG3 LYS 38 11.450 7.413 -15.082 275 1HD LYS 38 HD2 LYS 38 13.911 7.640 -14.979 276 2HD LYS 38 HD3 LYS 38 13.825 9.096 -15.957 277 1HE LYS 38 HE2 LYS 38 14.119 9.836 -13.701 278 2HE LYS 38 HE3 LYS 38 12.489 10.246 -14.202 279 1HZ LYS 38 HZ1 LYS 38 12.582 9.284 -11.951 280 2HZ LYS 38 HZ2 LYS 38 11.671 8.367 -12.935 281 3HZ LYS 38 HZ3 LYS 38 13.199 7.908 -12.554 282 H SER 39 H SER 39 10.638 8.849 -20.296 283 HA SER 39 HA SER 39 10.131 7.995 -22.301 284 1HB SER 39 HB2 SER 39 13.173 7.924 -22.517 285 2HB SER 39 HB3 SER 39 12.016 8.048 -23.862 286 HG SER 39 HG SER 39 12.449 9.929 -21.742 287 H HIS 40 H HIS 40 9.755 5.968 -20.588 288 HA HIS 40 HA HIS 40 11.097 3.531 -21.334 289 1HB HIS 40 HB2 HIS 40 9.242 4.363 -19.358 290 2HB HIS 40 HB3 HIS 40 8.380 3.181 -20.338 291 HD1 HIS 40 HD1 HIS 40 11.360 3.415 -17.897 292 HD2 HIS 40 HD2 HIS 40 9.372 0.708 -20.408 293 HE1 HIS 40 HE1 HIS 40 12.204 1.116 -17.242 294 H THR 41 H THR 41 11.053 2.916 -23.321 295 HA THR 41 HA THR 41 9.005 3.769 -25.167 296 HB THR 41 HB THR 41 11.225 2.132 -26.183 297 HG1 THR 41 HG1 THR 41 11.949 4.328 -24.550 298 1HG2 THR 41 1HG2 THR 41 10.610 5.104 -26.482 299 2HG2 THR 41 2HG2 THR 41 11.705 4.111 -27.497 300 3HG2 THR 41 3HG2 THR 41 9.958 3.813 -27.511 301 H HIS 42 H HIS 42 8.899 1.069 -23.213 302 HA HIS 42 HA HIS 42 8.543 -0.924 -25.276 303 1HB HIS 42 HB2 HIS 42 8.053 -1.090 -22.312 304 2HB HIS 42 HB3 HIS 42 8.366 -2.398 -23.455 305 HD2 HIS 42 HD2 HIS 42 11.052 -1.176 -24.840 306 HE1 HIS 42 HE1 HIS 42 12.622 -1.214 -20.878 307 HE2 HIS 42 HE2 HIS 42 13.213 -1.105 -23.358 308 H LYS 43 H LYS 43 6.608 -2.542 -24.894 309 HA LYS 43 HA LYS 43 4.190 -0.980 -25.246 310 1HB LYS 43 HB2 LYS 43 4.764 -3.079 -26.590 311 2HB LYS 43 HB3 LYS 43 4.367 -4.019 -25.165 312 1HG LYS 43 HG2 LYS 43 2.182 -2.213 -25.418 313 2HG LYS 43 HG3 LYS 43 2.610 -2.547 -27.067 314 1HD LYS 43 HD2 LYS 43 0.920 -4.120 -26.458 315 2HD LYS 43 HD3 LYS 43 2.411 -5.020 -26.544 316 1HE LYS 43 HE2 LYS 43 1.301 -5.728 -24.547 317 2HE LYS 43 HE3 LYS 43 2.657 -4.724 -24.021 318 1HZ LYS 43 HZ1 LYS 43 0.849 -4.110 -22.779 319 2HZ LYS 43 HZ2 LYS 43 0.998 -2.883 -23.802 320 3HZ LYS 43 HZ3 LYS 43 -0.202 -3.983 -24.030 321 H MET 44 H MET 44 3.840 -0.001 -23.302 322 HA MET 44 HA MET 44 3.430 -1.580 -20.842 323 1HB MET 44 HB2 MET 44 3.315 1.364 -21.717 324 2HB MET 44 HB3 MET 44 2.739 0.885 -20.123 325 1HG MET 44 HG2 MET 44 4.717 0.205 -19.354 326 2HG MET 44 HG3 MET 44 5.481 0.001 -20.923 327 1HE MET 44 HE1 MET 44 6.147 1.268 -17.946 328 2HE MET 44 HE2 MET 44 6.150 3.052 -17.825 329 3HE MET 44 HE3 MET 44 4.615 2.133 -17.809 330 H VAL 45 H VAL 45 1.394 -0.612 -19.657 331 HA VAL 45 HA VAL 45 -1.105 -0.407 -21.102 332 HB VAL 45 HB VAL 45 -2.076 -1.640 -19.198 333 1HG1 VAL 45 1HG1 VAL 45 -1.728 -2.696 -21.478 334 2HG1 VAL 45 2HG1 VAL 45 -0.223 -3.426 -20.848 335 3HG1 VAL 45 3HG1 VAL 45 -1.798 -3.870 -20.140 336 1HG2 VAL 45 1HG2 VAL 45 0.712 -2.579 -18.620 337 2HG2 VAL 45 2HG2 VAL 45 -0.360 -1.618 -17.609 338 3HG2 VAL 45 3HG2 VAL 45 -0.719 -3.349 -17.974 339 H LYS 46 H LYS 46 -2.612 0.647 -19.192 340 HA LYS 46 HA LYS 46 -1.053 2.264 -17.310 341 1HB LYS 46 HB2 LYS 46 -1.151 3.497 -19.535 342 2HB LYS 46 HB3 LYS 46 -2.887 3.534 -19.406 343 1HG LYS 46 HG2 LYS 46 -1.015 4.793 -17.336 344 2HG LYS 46 HG3 LYS 46 -1.628 5.616 -18.776 345 1HD LYS 46 HD2 LYS 46 -3.969 5.275 -17.936 346 2HD LYS 46 HD3 LYS 46 -3.275 4.672 -16.419 347 1HE LYS 46 HE2 LYS 46 -3.598 7.011 -16.065 348 2HE LYS 46 HE3 LYS 46 -1.855 6.803 -16.312 349 1HZ LYS 46 HZ1 LYS 46 -2.671 8.665 -17.568 350 2HZ LYS 46 HZ2 LYS 46 -2.301 7.537 -18.684 351 3HZ LYS 46 HZ3 LYS 46 -3.855 7.838 -18.211 352 H TRP 47 H TRP 47 -2.227 2.449 -15.510 353 HA TRP 47 HA TRP 47 -5.093 1.634 -15.572 354 1HB TRP 47 HB2 TRP 47 -3.101 0.912 -13.374 355 2HB TRP 47 HB3 TRP 47 -4.748 0.350 -13.558 356 HD1 TRP 47 HD1 TRP 47 -1.255 -0.476 -14.398 357 HE1 TRP 47 HE1 TRP 47 -1.051 -2.515 -15.899 358 HE3 TRP 47 HE3 TRP 47 -6.066 -0.650 -16.077 359 HZ2 TRP 47 HZ2 TRP 47 -2.753 -3.955 -17.781 360 HZ3 TRP 47 HZ3 TRP 47 -6.678 -2.243 -17.899 361 HH2 TRP 47 HH2 TRP 47 -5.051 -3.915 -18.706 362 H GLY 48 H GLY 48 -6.183 3.482 -14.922 363 1HA GLY 48 HA2 GLY 48 -4.803 5.276 -13.005 364 2HA GLY 48 HA3 GLY 48 -5.440 5.885 -14.556 365 H LEU 49 H LEU 49 -5.959 6.260 -11.630 366 HA LEU 49 HA LEU 49 -8.886 5.994 -11.704 367 1HB LEU 49 HB2 LEU 49 -7.066 4.903 -9.529 368 2HB LEU 49 HB3 LEU 49 -8.760 5.203 -9.216 369 HG LEU 49 HG LEU 49 -7.793 3.434 -11.512 370 1HD1 LEU 49 1HD1 LEU 49 -8.221 1.535 -10.161 371 2HD1 LEU 49 2HD1 LEU 49 -6.983 2.590 -9.442 372 3HD1 LEU 49 3HD1 LEU 49 -8.667 2.583 -8.778 373 1HD2 LEU 49 1HD2 LEU 49 -10.490 3.677 -10.119 374 2HD2 LEU 49 2HD2 LEU 49 -10.130 4.221 -11.775 375 3HD2 LEU 49 3HD2 LEU 49 -10.096 2.493 -11.401 376 H GLY 50 H GLY 50 -6.428 8.243 -11.452 377 1HA GLY 50 HA2 GLY 50 -8.318 10.113 -10.295 378 2HA GLY 50 HA3 GLY 50 -6.934 9.805 -9.239 379 H LEU 51 H LEU 51 -4.771 9.777 -10.964 380 HA LEU 51 HA LEU 51 -4.830 12.444 -12.315 381 1HB LEU 51 HB2 LEU 51 -2.625 11.074 -10.730 382 2HB LEU 51 HB3 LEU 51 -2.430 12.583 -11.622 383 HG LEU 51 HG LEU 51 -4.309 12.191 -9.253 384 1HD1 LEU 51 1HD1 LEU 51 -1.666 13.685 -9.365 385 2HD1 LEU 51 2HD1 LEU 51 -2.752 13.499 -7.956 386 3HD1 LEU 51 3HD1 LEU 51 -1.930 12.087 -8.648 387 1HD2 LEU 51 1HD2 LEU 51 -4.452 14.689 -9.247 388 2HD2 LEU 51 2HD2 LEU 51 -3.573 14.712 -10.794 389 3HD2 LEU 51 3HD2 LEU 51 -5.195 13.980 -10.678 390 H ASP 52 H ASP 52 -5.431 11.416 -14.250 391 HA ASP 52 HA ASP 52 -3.928 9.231 -15.361 392 1HB ASP 52 HB2 ASP 52 -6.434 10.079 -15.718 393 2HB ASP 52 HB3 ASP 52 -5.723 10.934 -17.071 Start of MODEL 7 1 1H GLY 1 H1 GLY 1 4.076 -3.709 -10.387 2 2H GLY 1 H2 GLY 1 4.330 -2.130 -10.024 3 3H GLY 1 H3 GLY 1 5.421 -3.264 -9.560 4 1HA GLY 1 HA2 GLY 1 3.705 -4.309 -8.151 5 2HA GLY 1 HA3 GLY 1 4.126 -2.649 -7.658 6 H GLN 2 H GLN 2 1.490 -4.393 -7.533 7 HA GLN 2 HA GLN 2 -0.259 -2.171 -8.369 8 1HB GLN 2 HB2 GLN 2 -1.718 -3.749 -9.654 9 2HB GLN 2 HB3 GLN 2 -0.084 -3.584 -10.289 10 1HG GLN 2 HG2 GLN 2 -0.319 -5.801 -10.525 11 2HG GLN 2 HG3 GLN 2 0.361 -5.812 -8.898 12 1HE2 GLN 2 2HE2 GLN 2 -1.300 -5.953 -7.043 13 2HE2 GLN 2 1HE2 GLN 2 -2.737 -6.905 -7.369 14 H ASP 3 H ASP 3 -2.385 -2.253 -7.628 15 HA ASP 3 HA ASP 3 -3.260 -4.029 -5.483 16 1HB ASP 3 HB2 ASP 3 -1.905 -2.053 -4.454 17 2HB ASP 3 HB3 ASP 3 -3.233 -1.030 -5.031 18 H ARG 4 H ARG 4 -5.570 -2.868 -4.878 19 HA ARG 4 HA ARG 4 -7.072 -3.252 -7.295 20 1HB ARG 4 HB2 ARG 4 -9.041 -2.883 -5.861 21 2HB ARG 4 HB3 ARG 4 -7.950 -4.108 -5.253 22 1HG ARG 4 HG2 ARG 4 -7.282 -1.468 -4.137 23 2HG ARG 4 HG3 ARG 4 -8.973 -1.843 -3.881 24 1HD ARG 4 HD2 ARG 4 -7.462 -2.430 -2.049 25 2HD ARG 4 HD3 ARG 4 -8.522 -3.774 -2.567 26 HE ARG 4 HE ARG 4 -5.606 -3.412 -2.887 27 1HH1 ARG 4 2HH1 ARG 4 -8.299 -5.698 -2.820 28 2HH1 ARG 4 1HH1 ARG 4 -7.290 -7.111 -2.874 29 1HH2 ARG 4 1HH2 ARG 4 -4.324 -5.125 -2.886 30 2HH2 ARG 4 2HH2 ARG 4 -4.853 -6.779 -2.826 31 H PHE 5 H PHE 5 -6.006 -0.316 -5.641 32 HA PHE 5 HA PHE 5 -6.741 1.201 -8.014 33 1HB PHE 5 HB2 PHE 5 -7.926 3.011 -6.689 34 2HB PHE 5 HB3 PHE 5 -8.813 1.520 -6.871 35 HD1 PHE 5 HD1 PHE 5 -6.813 3.562 -4.485 36 HD2 PHE 5 HD2 PHE 5 -9.541 0.266 -4.992 37 HE1 PHE 5 HE1 PHE 5 -7.142 3.466 -2.031 38 HE2 PHE 5 HE2 PHE 5 -9.938 0.211 -2.526 39 HZ PHE 5 HZ PHE 5 -8.697 1.764 -1.053 40 H VAL 6 H VAL 6 -4.337 0.287 -6.352 41 HA VAL 6 HA VAL 6 -2.950 2.868 -6.204 42 HB VAL 6 HB VAL 6 -3.518 0.874 -3.998 43 1HG1 VAL 6 1HG1 VAL 6 -0.943 2.451 -4.113 44 2HG1 VAL 6 2HG1 VAL 6 -1.572 1.537 -2.717 45 3HG1 VAL 6 3HG1 VAL 6 -1.117 0.660 -4.194 46 1HG2 VAL 6 1HG2 VAL 6 -4.606 3.108 -4.053 47 2HG2 VAL 6 2HG2 VAL 6 -3.589 2.870 -2.630 48 3HG2 VAL 6 3HG2 VAL 6 -3.012 3.879 -3.977 49 H TYR 7 H TYR 7 -0.701 2.531 -6.588 50 HA TYR 7 HA TYR 7 0.257 -0.069 -7.627 51 1HB TYR 7 HB2 TYR 7 -0.003 2.550 -9.168 52 2HB TYR 7 HB3 TYR 7 0.823 1.152 -9.749 53 HD1 TYR 7 HD1 TYR 7 -0.791 -1.048 -9.978 54 HD2 TYR 7 HD2 TYR 7 -2.250 2.949 -9.366 55 HE1 TYR 7 HE1 TYR 7 -3.123 -1.863 -10.192 56 HE2 TYR 7 HE2 TYR 7 -4.574 2.128 -9.508 57 HH TYR 7 HH TYR 7 -5.328 -1.316 -9.686 58 H THR 8 H THR 8 2.640 0.775 -8.734 59 HA THR 8 HA THR 8 3.802 2.762 -6.849 60 HB THR 8 HB THR 8 5.953 1.266 -7.497 61 HG1 THR 8 HG1 THR 8 5.048 -0.312 -8.624 62 1HG2 THR 8 1HG2 THR 8 5.566 1.684 -5.273 63 2HG2 THR 8 2HG2 THR 8 3.998 0.810 -5.265 64 3HG2 THR 8 3HG2 THR 8 5.562 -0.061 -5.381 65 H CYS 9 H CYS 9 5.823 3.640 -7.809 66 HA CYS 9 HA CYS 9 5.803 3.889 -10.796 67 1HB CYS 9 HB2 CYS 9 5.543 6.180 -9.803 68 2HB CYS 9 HB3 CYS 9 6.866 5.872 -8.699 69 H ASN 10 H ASN 10 7.405 2.319 -11.294 70 HA ASN 10 HA ASN 10 9.191 1.470 -9.262 71 1HB ASN 10 HB2 ASN 10 8.257 -0.058 -11.004 72 2HB ASN 10 HB3 ASN 10 9.426 0.639 -12.144 73 1HD2 ASN 10 2HD2 ASN 10 11.102 -0.830 -12.272 74 2HD2 ASN 10 1HD2 ASN 10 11.816 -1.657 -10.886 75 H GLU 11 H GLU 11 9.258 4.345 -10.668 76 HA GLU 11 HA GLU 11 12.170 4.357 -10.705 77 1HB GLU 11 HB2 GLU 11 10.279 5.909 -12.314 78 2HB GLU 11 HB3 GLU 11 11.512 6.883 -11.502 79 1HG GLU 11 HG2 GLU 11 12.220 4.370 -13.093 80 2HG GLU 11 HG3 GLU 11 12.291 5.996 -13.752 81 H CYS 12 H CYS 12 9.262 5.564 -9.126 82 HA CYS 12 HA CYS 12 10.945 7.170 -7.291 83 1HB CYS 12 HB2 CYS 12 7.958 6.630 -7.140 84 2HB CYS 12 HB3 CYS 12 8.884 7.830 -6.249 85 H LYS 13 H LYS 13 9.554 4.021 -7.554 86 HA LYS 13 HA LYS 13 9.241 2.189 -6.167 87 1HB LYS 13 HB2 LYS 13 11.824 3.379 -5.033 88 2HB LYS 13 HB3 LYS 13 11.051 2.031 -4.241 89 1HG LYS 13 HG2 LYS 13 12.889 1.311 -5.549 90 2HG LYS 13 HG3 LYS 13 11.377 0.543 -6.001 91 1HD LYS 13 HD2 LYS 13 12.984 1.062 -7.879 92 2HD LYS 13 HD3 LYS 13 11.330 1.609 -8.079 93 1HE LYS 13 HE2 LYS 13 11.812 3.769 -8.051 94 2HE LYS 13 HE3 LYS 13 13.159 3.654 -6.903 95 1HZ LYS 13 HZ1 LYS 13 13.241 2.957 -9.773 96 2HZ LYS 13 HZ2 LYS 13 13.750 4.339 -9.164 97 3HZ LYS 13 HZ3 LYS 13 14.572 2.973 -8.777 98 H HIS 14 H HIS 14 7.689 4.374 -5.941 99 HA HIS 14 HA HIS 14 6.866 4.362 -3.093 100 1HB HIS 14 HB2 HIS 14 8.055 6.454 -3.499 101 2HB HIS 14 HB3 HIS 14 7.124 6.719 -4.989 102 HD2 HIS 14 HD2 HIS 14 5.418 8.548 -4.640 103 HE1 HIS 14 HE1 HIS 14 3.839 7.396 -0.871 104 HE2 HIS 14 HE2 HIS 14 3.569 8.970 -2.860 105 H HIS 15 H HIS 15 4.623 4.898 -2.911 106 HA HIS 15 HA HIS 15 3.001 3.415 -4.784 107 1HB HIS 15 HB2 HIS 15 2.608 4.623 -2.042 108 2HB HIS 15 HB3 HIS 15 1.190 4.291 -3.026 109 HD2 HIS 15 HD2 HIS 15 1.101 1.649 -4.073 110 HE1 HIS 15 HE1 HIS 15 2.563 0.080 -0.421 111 HE2 HIS 15 HE2 HIS 15 1.235 -0.445 -2.528 112 H VAL 16 H VAL 16 1.300 4.136 -5.954 113 HA VAL 16 HA VAL 16 0.730 6.984 -6.293 114 HB VAL 16 HB VAL 16 1.168 6.931 -8.669 115 1HG1 VAL 16 1HG1 VAL 16 3.519 5.463 -7.431 116 2HG1 VAL 16 2HG1 VAL 16 3.510 6.328 -8.948 117 3HG1 VAL 16 3HG1 VAL 16 3.278 7.239 -7.445 118 1HG2 VAL 16 1HG2 VAL 16 1.927 4.943 -9.924 119 2HG2 VAL 16 2HG2 VAL 16 1.722 3.927 -8.490 120 3HG2 VAL 16 3HG2 VAL 16 0.328 4.698 -9.253 121 H GLU 17 H GLU 17 -1.348 7.068 -7.860 122 HA GLU 17 HA GLU 17 -3.130 4.790 -7.145 123 1HB GLU 17 HB2 GLU 17 -4.910 6.570 -7.504 124 2HB GLU 17 HB3 GLU 17 -4.017 6.529 -5.985 125 1HG GLU 17 HG2 GLU 17 -4.318 8.904 -6.786 126 2HG GLU 17 HG3 GLU 17 -2.627 8.458 -6.668 127 H THR 18 H THR 18 -1.712 6.648 -9.703 128 HA THR 18 HA THR 18 -3.040 4.955 -11.737 129 HB THR 18 HB THR 18 -2.489 7.975 -11.799 130 HG1 THR 18 HG1 THR 18 -4.304 7.711 -10.740 131 1HG2 THR 18 1HG2 THR 18 -4.168 7.463 -13.919 132 2HG2 THR 18 2HG2 THR 18 -2.425 7.702 -14.064 133 3HG2 THR 18 3HG2 THR 18 -3.086 6.080 -14.036 134 H ARG 19 H ARG 19 -1.539 4.149 -13.266 135 HA ARG 19 HA ARG 19 1.199 5.274 -13.287 136 1HB ARG 19 HB2 ARG 19 2.369 3.264 -12.782 137 2HB ARG 19 HB3 ARG 19 1.164 3.365 -11.489 138 1HG ARG 19 HG2 ARG 19 -0.261 1.773 -12.600 139 2HG ARG 19 HG3 ARG 19 0.820 1.651 -13.984 140 1HD ARG 19 HD2 ARG 19 2.346 0.325 -12.943 141 2HD ARG 19 HD3 ARG 19 1.959 0.841 -11.338 142 HE ARG 19 HE ARG 19 -0.375 -0.264 -11.982 143 1HH1 ARG 19 1HH2 ARG 19 2.817 -1.737 -12.172 144 2HH1 ARG 19 2HH2 ARG 19 2.262 -3.260 -12.710 145 1HH2 ARG 19 2HH1 ARG 19 -1.135 -2.402 -12.857 146 2HH2 ARG 19 1HH1 ARG 19 0.093 -3.572 -13.171 147 H TRP 20 H TRP 20 2.532 4.204 -14.874 148 HA TRP 20 HA TRP 20 1.165 3.162 -17.293 149 1HB TRP 20 HB2 TRP 20 3.879 4.458 -16.858 150 2HB TRP 20 HB3 TRP 20 3.265 3.873 -18.388 151 HD1 TRP 20 HD1 TRP 20 2.655 6.701 -15.890 152 HE1 TRP 20 HE1 TRP 20 1.167 8.478 -16.902 153 HE3 TRP 20 HE3 TRP 20 1.637 4.465 -20.346 154 HZ2 TRP 20 HZ2 TRP 20 -0.470 8.830 -19.207 155 HZ3 TRP 20 HZ3 TRP 20 0.053 5.546 -21.951 156 HH2 TRP 20 HH2 TRP 20 -0.972 7.757 -21.429 157 H HIS 21 H HIS 21 1.864 0.971 -17.723 158 HA HIS 21 HA HIS 21 3.746 -0.215 -15.739 159 1HB HIS 21 HB2 HIS 21 1.781 -0.749 -14.720 160 2HB HIS 21 HB3 HIS 21 0.847 -0.774 -16.178 161 HD2 HIS 21 HD2 HIS 21 3.922 -3.108 -15.980 162 HE1 HIS 21 HE1 HIS 21 0.523 -5.597 -15.519 163 HE2 HIS 21 HE2 HIS 21 3.035 -5.533 -15.836 164 H CYS 22 H CYS 22 5.288 -1.259 -16.808 165 HA CYS 22 HA CYS 22 5.230 -1.907 -19.613 166 1HB CYS 22 HB2 CYS 22 7.039 -1.872 -17.268 167 2HB CYS 22 HB3 CYS 22 7.364 -3.189 -18.378 168 H THR 23 H THR 23 4.398 -3.567 -20.528 169 HA THR 23 HA THR 23 3.959 -6.060 -18.966 170 HB THR 23 HB THR 23 2.224 -6.713 -20.652 171 HG1 THR 23 HG1 THR 23 3.115 -4.455 -21.824 172 1HG2 THR 23 1HG2 THR 23 1.942 -4.046 -19.266 173 2HG2 THR 23 2HG2 THR 23 0.593 -5.139 -19.672 174 3HG2 THR 23 3HG2 THR 23 1.767 -5.619 -18.444 175 H VAL 24 H VAL 24 6.282 -4.981 -20.372 176 HA VAL 24 HA VAL 24 7.341 -7.117 -22.062 177 HB VAL 24 HB VAL 24 7.418 -4.888 -22.928 178 1HG1 VAL 24 1HG1 VAL 24 6.984 -3.150 -21.836 179 2HG1 VAL 24 2HG1 VAL 24 7.348 -3.822 -20.287 180 3HG1 VAL 24 3HG1 VAL 24 8.676 -3.159 -21.178 181 1HG2 VAL 24 1HG2 VAL 24 9.627 -6.051 -23.009 182 2HG2 VAL 24 2HG2 VAL 24 9.774 -4.273 -23.017 183 3HG2 VAL 24 3HG2 VAL 24 10.112 -5.167 -21.533 184 H CYS 25 H CYS 25 8.217 -4.905 -19.419 185 HA CYS 25 HA CYS 25 10.189 -6.559 -18.169 186 1HB CYS 25 HB2 CYS 25 8.695 -4.208 -16.994 187 2HB CYS 25 HB3 CYS 25 10.331 -4.753 -16.590 188 H GLU 26 H GLU 26 9.899 -7.063 -15.740 189 HA GLU 26 HA GLU 26 7.417 -8.483 -15.255 190 1HB GLU 26 HB2 GLU 26 10.129 -8.304 -13.944 191 2HB GLU 26 HB3 GLU 26 8.761 -8.754 -12.927 192 1HG GLU 26 HG2 GLU 26 8.122 -10.574 -14.425 193 2HG GLU 26 HG3 GLU 26 9.488 -10.215 -15.485 194 H ASP 27 H ASP 27 5.878 -6.963 -15.158 195 HA ASP 27 HA ASP 27 4.591 -5.256 -14.356 196 1HB ASP 27 HB2 ASP 27 4.257 -7.269 -12.867 197 2HB ASP 27 HB3 ASP 27 5.380 -6.558 -11.722 198 H TYR 28 H TYR 28 7.103 -4.301 -14.887 199 HA TYR 28 HA TYR 28 7.988 -2.417 -12.878 200 1HB TYR 28 HB2 TYR 28 9.369 -3.305 -14.760 201 2HB TYR 28 HB3 TYR 28 8.391 -2.411 -15.898 202 HD1 TYR 28 HD1 TYR 28 11.375 -2.312 -14.008 203 HD2 TYR 28 HD2 TYR 28 8.296 0.189 -15.678 204 HE1 TYR 28 HE1 TYR 28 12.898 -0.368 -13.847 205 HE2 TYR 28 HE2 TYR 28 9.812 2.123 -15.559 206 HH TYR 28 HH TYR 28 13.108 1.944 -14.194 207 H ASP 29 H ASP 29 7.504 -0.205 -12.742 208 HA ASP 29 HA ASP 29 5.014 0.677 -14.141 209 1HB ASP 29 HB2 ASP 29 5.611 1.718 -11.401 210 2HB ASP 29 HB3 ASP 29 4.074 1.383 -12.177 211 H LEU 30 H LEU 30 4.699 3.006 -14.095 212 HA LEU 30 HA LEU 30 6.822 4.689 -13.023 213 1HB LEU 30 HB2 LEU 30 5.928 4.667 -15.944 214 2HB LEU 30 HB3 LEU 30 6.686 6.038 -15.145 215 HG LEU 30 HG LEU 30 7.934 3.290 -15.620 216 1HD1 LEU 30 1HD1 LEU 30 7.833 4.774 -17.576 217 2HD1 LEU 30 2HD1 LEU 30 8.773 6.013 -16.703 218 3HD1 LEU 30 3HD1 LEU 30 9.501 4.443 -17.066 219 1HD2 LEU 30 1HD2 LEU 30 9.343 5.728 -14.413 220 2HD2 LEU 30 2HD2 LEU 30 8.846 4.319 -13.460 221 3HD2 LEU 30 3HD2 LEU 30 10.064 4.138 -14.723 222 H CYS 31 H CYS 31 5.900 6.478 -12.077 223 HA CYS 31 HA CYS 31 3.051 6.962 -12.301 224 1HB CYS 31 HB2 CYS 31 3.550 9.025 -11.119 225 2HB CYS 31 HB3 CYS 31 4.292 7.677 -10.268 226 H ILE 32 H ILE 32 2.295 9.144 -13.074 227 HA ILE 32 HA ILE 32 2.678 9.296 -15.783 228 HB ILE 32 HB ILE 32 1.812 11.625 -14.012 229 1HG1 ILE 32 2HG1 ILE 32 0.399 9.748 -13.398 230 2HG1 ILE 32 3HG1 ILE 32 -0.483 10.958 -14.299 231 1HG2 ILE 32 1HG2 ILE 32 2.229 12.398 -16.225 232 2HG2 ILE 32 2HG2 ILE 32 1.546 10.945 -16.957 233 3HG2 ILE 32 3HG2 ILE 32 0.471 12.127 -16.161 234 1HD1 ILE 32 1HD1 ILE 32 -1.312 8.998 -15.192 235 2HD1 ILE 32 2HD1 ILE 32 -0.155 9.486 -16.382 236 3HD1 ILE 32 3HD1 ILE 32 0.275 8.200 -15.202 237 H ASN 33 H ASN 33 4.306 11.219 -13.276 238 HA ASN 33 HA ASN 33 5.678 13.001 -15.081 239 1HB ASN 33 HB2 ASN 33 5.386 13.699 -12.785 240 2HB ASN 33 HB3 ASN 33 6.086 12.202 -12.152 241 1HD2 ASN 33 2HD2 ASN 33 8.488 11.909 -12.226 242 2HD2 ASN 33 1HD2 ASN 33 9.481 13.312 -12.560 243 H CYS 34 H CYS 34 6.740 9.989 -13.441 244 HA CYS 34 HA CYS 34 9.360 10.145 -14.588 245 1HB CYS 34 HB2 CYS 34 7.800 7.949 -13.202 246 2HB CYS 34 HB3 CYS 34 9.389 7.684 -13.960 247 H TYR 35 H TYR 35 6.329 8.500 -15.600 248 HA TYR 35 HA TYR 35 7.432 7.213 -17.874 249 1HB TYR 35 HB2 TYR 35 5.130 6.824 -17.104 250 2HB TYR 35 HB3 TYR 35 4.680 8.463 -17.555 251 HD1 TYR 35 HD1 TYR 35 6.470 5.541 -19.127 252 HD2 TYR 35 HD2 TYR 35 3.476 8.606 -19.597 253 HE1 TYR 35 HE1 TYR 35 6.077 4.789 -21.434 254 HE2 TYR 35 HE2 TYR 35 3.038 7.820 -21.917 255 HH TYR 35 HH TYR 35 4.893 5.069 -23.334 256 H ASN 36 H ASN 36 6.202 10.520 -17.468 257 HA ASN 36 HA ASN 36 6.695 11.512 -20.061 258 1HB ASN 36 HB2 ASN 36 6.033 12.654 -17.360 259 2HB ASN 36 HB3 ASN 36 6.749 13.766 -18.473 260 1HD2 ASN 36 2HD2 ASN 36 3.993 11.640 -18.002 261 2HD2 ASN 36 1HD2 ASN 36 2.965 12.434 -19.228 262 H THR 37 H THR 37 9.071 10.838 -17.580 263 HA THR 37 HA THR 37 11.012 12.583 -19.018 264 HB THR 37 HB THR 37 12.064 13.060 -16.803 265 HG1 THR 37 HG1 THR 37 9.650 12.191 -15.652 266 1HG2 THR 37 1HG2 THR 37 9.182 13.992 -17.017 267 2HG2 THR 37 2HG2 THR 37 10.460 14.761 -16.056 268 3HG2 THR 37 3HG2 THR 37 10.586 14.750 -17.809 269 H LYS 38 H LYS 38 10.366 9.385 -18.360 270 HA LYS 38 HA LYS 38 13.279 8.681 -18.349 271 1HB LYS 38 HB2 LYS 38 10.989 7.028 -17.214 272 2HB LYS 38 HB3 LYS 38 12.686 6.695 -17.081 273 1HG LYS 38 HG2 LYS 38 11.395 9.160 -15.812 274 2HG LYS 38 HG3 LYS 38 11.515 7.607 -15.035 275 1HD LYS 38 HD2 LYS 38 13.982 7.793 -15.002 276 2HD LYS 38 HD3 LYS 38 13.897 9.229 -16.032 277 1HE LYS 38 HE2 LYS 38 14.216 9.988 -13.750 278 2HE LYS 38 HE3 LYS 38 12.585 10.435 -14.290 279 1HZ LYS 38 HZ1 LYS 38 12.592 9.537 -12.056 280 2HZ LYS 38 HZ2 LYS 38 11.718 8.587 -13.013 281 3HZ LYS 38 HZ3 LYS 38 13.245 8.129 -12.583 282 H SER 39 H SER 39 10.960 9.042 -20.468 283 HA SER 39 HA SER 39 10.130 7.982 -22.296 284 1HB SER 39 HB2 SER 39 13.142 7.870 -22.636 285 2HB SER 39 HB3 SER 39 11.931 7.973 -23.946 286 HG SER 39 HG SER 39 12.833 10.002 -23.360 287 H HIS 40 H HIS 40 9.767 5.961 -20.523 288 HA HIS 40 HA HIS 40 11.042 3.512 -21.327 289 1HB HIS 40 HB2 HIS 40 9.316 4.364 -19.283 290 2HB HIS 40 HB3 HIS 40 8.369 3.204 -20.211 291 HD1 HIS 40 HD1 HIS 40 11.457 3.356 -17.927 292 HD2 HIS 40 HD2 HIS 40 9.315 0.709 -20.369 293 HE1 HIS 40 HE1 HIS 40 12.271 1.037 -17.309 294 H THR 41 H THR 41 10.922 2.937 -23.366 295 HA THR 41 HA THR 41 8.744 3.818 -25.035 296 HB THR 41 HB THR 41 10.901 2.162 -26.209 297 HG1 THR 41 HG1 THR 41 11.651 4.391 -24.650 298 1HG2 THR 41 1HG2 THR 41 9.470 3.666 -27.558 299 2HG2 THR 41 2HG2 THR 41 10.108 5.071 -26.695 300 3HG2 THR 41 3HG2 THR 41 11.187 4.084 -27.701 301 H HIS 42 H HIS 42 8.955 1.004 -23.187 302 HA HIS 42 HA HIS 42 8.482 -0.908 -25.274 303 1HB HIS 42 HB2 HIS 42 8.009 -1.160 -22.306 304 2HB HIS 42 HB3 HIS 42 8.347 -2.453 -23.493 305 HD2 HIS 42 HD2 HIS 42 11.017 -1.178 -24.818 306 HE1 HIS 42 HE1 HIS 42 12.514 -1.184 -20.813 307 HE2 HIS 42 HE2 HIS 42 13.160 -1.054 -23.290 308 H LYS 43 H LYS 43 6.612 -2.513 -24.981 309 HA LYS 43 HA LYS 43 4.133 -1.039 -25.297 310 1HB LYS 43 HB2 LYS 43 4.767 -3.111 -26.662 311 2HB LYS 43 HB3 LYS 43 4.407 -4.074 -25.217 312 1HG LYS 43 HG2 LYS 43 2.186 -2.324 -25.480 313 2HG LYS 43 HG3 LYS 43 2.612 -2.709 -27.150 314 1HD LYS 43 HD2 LYS 43 0.955 -4.254 -26.522 315 2HD LYS 43 HD3 LYS 43 2.462 -5.142 -26.579 316 1HE LYS 43 HE2 LYS 43 1.306 -5.851 -24.563 317 2HE LYS 43 HE3 LYS 43 2.679 -4.860 -24.054 318 1HZ LYS 43 HZ1 LYS 43 -0.179 -4.078 -24.098 319 2HZ LYS 43 HZ2 LYS 43 0.866 -4.250 -22.827 320 3HZ LYS 43 HZ3 LYS 43 1.056 -3.011 -23.818 321 H MET 44 H MET 44 3.814 -0.098 -23.338 322 HA MET 44 HA MET 44 3.416 -1.625 -20.862 323 1HB MET 44 HB2 MET 44 3.328 1.284 -21.798 324 2HB MET 44 HB3 MET 44 2.729 0.866 -20.187 325 1HG MET 44 HG2 MET 44 4.686 0.154 -19.414 326 2HG MET 44 HG3 MET 44 5.439 -0.119 -20.990 327 1HE MET 44 HE1 MET 44 6.187 2.997 -17.990 328 2HE MET 44 HE2 MET 44 4.651 2.092 -17.951 329 3HE MET 44 HE3 MET 44 6.184 1.219 -18.041 330 H VAL 45 H VAL 45 1.353 -0.596 -19.718 331 HA VAL 45 HA VAL 45 -1.123 -0.428 -21.198 332 HB VAL 45 HB VAL 45 -2.106 -1.670 -19.279 333 1HG1 VAL 45 1HG1 VAL 45 -1.838 -3.876 -20.209 334 2HG1 VAL 45 2HG1 VAL 45 -1.790 -2.732 -21.533 335 3HG1 VAL 45 3HG1 VAL 45 -0.257 -3.447 -20.932 336 1HG2 VAL 45 1HG2 VAL 45 -0.718 -3.330 -18.041 337 2HG2 VAL 45 2HG2 VAL 45 0.722 -2.582 -18.695 338 3HG2 VAL 45 3HG2 VAL 45 -0.367 -1.621 -17.680 339 H LYS 46 H LYS 46 -2.631 0.566 -19.169 340 HA LYS 46 HA LYS 46 -1.050 2.242 -17.376 341 1HB LYS 46 HB2 LYS 46 -1.254 3.461 -19.592 342 2HB LYS 46 HB3 LYS 46 -2.994 3.470 -19.398 343 1HG LYS 46 HG2 LYS 46 -1.100 4.774 -17.376 344 2HG LYS 46 HG3 LYS 46 -1.638 5.562 -18.849 345 1HD LYS 46 HD2 LYS 46 -4.042 5.293 -18.012 346 2HD LYS 46 HD3 LYS 46 -3.374 4.684 -16.512 347 1HE LYS 46 HE2 LYS 46 -3.750 7.015 -16.221 348 2HE LYS 46 HE3 LYS 46 -1.994 6.825 -16.346 349 1HZ LYS 46 HZ1 LYS 46 -2.880 8.682 -17.637 350 2HZ LYS 46 HZ2 LYS 46 -2.244 7.582 -18.697 351 3HZ LYS 46 HZ3 LYS 46 -3.876 7.746 -18.435 352 H TRP 47 H TRP 47 -2.221 2.433 -15.539 353 HA TRP 47 HA TRP 47 -5.072 1.573 -15.585 354 1HB TRP 47 HB2 TRP 47 -3.048 0.915 -13.416 355 2HB TRP 47 HB3 TRP 47 -4.699 0.306 -13.550 356 HD1 TRP 47 HD1 TRP 47 -1.223 -0.550 -14.427 357 HE1 TRP 47 HE1 TRP 47 -1.077 -2.572 -15.969 358 HE3 TRP 47 HE3 TRP 47 -6.071 -0.671 -16.049 359 HZ2 TRP 47 HZ2 TRP 47 -2.771 -3.919 -17.873 360 HZ3 TRP 47 HZ3 TRP 47 -6.696 -2.230 -17.884 361 HH2 TRP 47 HH2 TRP 47 -5.095 -3.885 -18.739 362 H GLY 48 H GLY 48 -6.278 3.250 -14.722 363 1HA GLY 48 HA2 GLY 48 -4.884 5.237 -13.071 364 2HA GLY 48 HA3 GLY 48 -5.635 5.756 -14.622 365 H LEU 49 H LEU 49 -5.999 6.139 -11.660 366 HA LEU 49 HA LEU 49 -8.822 5.340 -11.392 367 1HB LEU 49 HB2 LEU 49 -6.525 5.357 -9.457 368 2HB LEU 49 HB3 LEU 49 -8.144 5.514 -8.853 369 HG LEU 49 HG LEU 49 -7.271 3.272 -8.763 370 1HD1 LEU 49 1HD1 LEU 49 -9.694 3.712 -8.676 371 2HD1 LEU 49 2HD1 LEU 49 -9.801 3.490 -10.456 372 3HD1 LEU 49 3HD1 LEU 49 -9.321 2.143 -9.403 373 1HD2 LEU 49 1HD2 LEU 49 -7.129 1.729 -10.503 374 2HD2 LEU 49 2HD2 LEU 49 -7.736 2.864 -11.723 375 3HD2 LEU 49 3HD2 LEU 49 -6.133 3.109 -10.985 376 H GLY 50 H GLY 50 -6.436 8.025 -10.878 377 1HA GLY 50 HA2 GLY 50 -8.684 9.893 -10.881 378 2HA GLY 50 HA3 GLY 50 -7.825 9.746 -9.337 379 H LEU 51 H LEU 51 -5.573 9.310 -11.871 380 HA LEU 51 HA LEU 51 -5.000 12.167 -12.286 381 1HB LEU 51 HB2 LEU 51 -3.919 11.397 -10.121 382 2HB LEU 51 HB3 LEU 51 -3.068 10.161 -11.036 383 HG LEU 51 HG LEU 51 -1.624 11.741 -12.082 384 1HD1 LEU 51 1HD1 LEU 51 -1.833 14.196 -11.730 385 2HD1 LEU 51 2HD1 LEU 51 -3.138 13.516 -12.701 386 3HD1 LEU 51 3HD1 LEU 51 -3.424 13.945 -10.990 387 1HD2 LEU 51 1HD2 LEU 51 -2.102 12.558 -9.180 388 2HD2 LEU 51 2HD2 LEU 51 -1.200 11.145 -9.720 389 3HD2 LEU 51 3HD2 LEU 51 -0.583 12.761 -10.093 390 H ASP 52 H ASP 52 -6.068 10.712 -14.183 391 HA ASP 52 HA ASP 52 -4.266 8.933 -15.523 392 1HB ASP 52 HB2 ASP 52 -6.879 9.044 -15.592 393 2HB ASP 52 HB3 ASP 52 -6.633 10.159 -16.930 Start of MODEL 8 1 1H GLY 1 H1 GLY 1 5.351 -3.222 -9.582 2 2H GLY 1 H2 GLY 1 3.957 -3.596 -10.333 3 3H GLY 1 H3 GLY 1 4.245 -2.043 -9.909 4 1HA GLY 1 HA2 GLY 1 3.706 -4.320 -8.139 5 2HA GLY 1 HA3 GLY 1 4.173 -2.689 -7.561 6 H GLN 2 H GLN 2 1.508 -4.468 -7.464 7 HA GLN 2 HA GLN 2 -0.290 -2.260 -8.271 8 1HB GLN 2 HB2 GLN 2 -0.923 -5.207 -8.760 9 2HB GLN 2 HB3 GLN 2 -1.800 -3.788 -9.335 10 1HG GLN 2 HG2 GLN 2 0.464 -3.256 -10.599 11 2HG GLN 2 HG3 GLN 2 0.763 -4.988 -10.383 12 1HE2 GLN 2 2HE2 GLN 2 0.750 -5.222 -12.701 13 2HE2 GLN 2 1HE2 GLN 2 -0.784 -5.268 -13.570 14 H ASP 3 H ASP 3 -2.446 -2.518 -7.561 15 HA ASP 3 HA ASP 3 -3.339 -4.011 -5.263 16 1HB ASP 3 HB2 ASP 3 -1.955 -1.813 -4.476 17 2HB ASP 3 HB3 ASP 3 -3.447 -1.005 -4.980 18 H ARG 4 H ARG 4 -5.708 -3.180 -4.968 19 HA ARG 4 HA ARG 4 -7.036 -3.461 -7.376 20 1HB ARG 4 HB2 ARG 4 -9.069 -2.438 -5.985 21 2HB ARG 4 HB3 ARG 4 -8.388 -4.027 -5.705 22 1HG ARG 4 HG2 ARG 4 -8.900 -2.879 -3.619 23 2HG ARG 4 HG3 ARG 4 -7.211 -3.282 -3.713 24 1HD ARG 4 HD2 ARG 4 -7.449 -0.617 -4.750 25 2HD ARG 4 HD3 ARG 4 -8.570 -0.699 -3.368 26 HE ARG 4 HE ARG 4 -5.970 -1.781 -2.778 27 1HH1 ARG 4 1HH2 ARG 4 -7.578 1.347 -3.240 28 2HH1 ARG 4 2HH2 ARG 4 -6.390 2.210 -2.330 29 1HH2 ARG 4 1HH1 ARG 4 -4.374 -0.579 -1.726 30 2HH2 ARG 4 2HH1 ARG 4 -4.580 1.076 -1.317 31 H PHE 5 H PHE 5 -5.961 -0.358 -6.171 32 HA PHE 5 HA PHE 5 -6.355 0.867 -8.712 33 1HB PHE 5 HB2 PHE 5 -7.789 2.757 -8.011 34 2HB PHE 5 HB3 PHE 5 -8.631 1.242 -8.110 35 HD1 PHE 5 HD1 PHE 5 -7.308 3.809 -5.780 36 HD2 PHE 5 HD2 PHE 5 -9.737 0.306 -6.218 37 HE1 PHE 5 HE1 PHE 5 -8.221 4.204 -3.519 38 HE2 PHE 5 HE2 PHE 5 -10.754 0.726 -3.958 39 HZ PHE 5 HZ PHE 5 -10.026 2.699 -2.630 40 H VAL 6 H VAL 6 -4.269 0.244 -6.759 41 HA VAL 6 HA VAL 6 -2.983 2.834 -6.448 42 HB VAL 6 HB VAL 6 -3.994 1.120 -4.203 43 1HG1 VAL 6 1HG1 VAL 6 -2.112 1.594 -2.701 44 2HG1 VAL 6 2HG1 VAL 6 -1.560 0.622 -4.049 45 3HG1 VAL 6 3HG1 VAL 6 -1.225 2.379 -4.051 46 1HG2 VAL 6 1HG2 VAL 6 -3.114 3.993 -4.433 47 2HG2 VAL 6 2HG2 VAL 6 -4.766 3.357 -4.611 48 3HG2 VAL 6 3HG2 VAL 6 -3.927 3.257 -3.030 49 H TYR 7 H TYR 7 -0.802 2.532 -6.714 50 HA TYR 7 HA TYR 7 0.179 -0.184 -7.307 51 1HB TYR 7 HB2 TYR 7 0.012 2.085 -9.283 52 2HB TYR 7 HB3 TYR 7 0.666 0.471 -9.564 53 HD1 TYR 7 HD1 TYR 7 -0.808 -1.407 -10.086 54 HD2 TYR 7 HD2 TYR 7 -2.488 2.466 -9.211 55 HE1 TYR 7 HE1 TYR 7 -3.026 -2.158 -10.942 56 HE2 TYR 7 HE2 TYR 7 -4.664 1.709 -9.907 57 HH TYR 7 HH TYR 7 -5.903 -0.064 -11.037 58 H THR 8 H THR 8 2.497 0.633 -8.626 59 HA THR 8 HA THR 8 3.681 2.735 -6.843 60 HB THR 8 HB THR 8 5.818 1.265 -7.452 61 HG1 THR 8 HG1 THR 8 4.941 -0.278 -8.662 62 1HG2 THR 8 1HG2 THR 8 3.819 0.464 -5.293 63 2HG2 THR 8 2HG2 THR 8 5.527 -0.049 -5.363 64 3HG2 THR 8 3HG2 THR 8 5.148 1.650 -5.159 65 H CYS 9 H CYS 9 5.673 3.628 -7.793 66 HA CYS 9 HA CYS 9 5.668 3.755 -10.790 67 1HB CYS 9 HB2 CYS 9 5.442 6.062 -9.838 68 2HB CYS 9 HB3 CYS 9 6.759 5.733 -8.699 69 H ASN 10 H ASN 10 7.236 2.077 -11.204 70 HA ASN 10 HA ASN 10 8.985 1.224 -9.130 71 1HB ASN 10 HB2 ASN 10 8.097 -0.203 -11.047 72 2HB ASN 10 HB3 ASN 10 9.378 0.571 -12.040 73 1HD2 ASN 10 2HD2 ASN 10 10.920 -0.996 -12.218 74 2HD2 ASN 10 1HD2 ASN 10 11.589 -1.908 -10.861 75 H GLU 11 H GLU 11 9.141 4.101 -10.766 76 HA GLU 11 HA GLU 11 12.056 4.094 -10.644 77 1HB GLU 11 HB2 GLU 11 10.165 5.585 -12.288 78 2HB GLU 11 HB3 GLU 11 11.379 6.609 -11.552 79 1HG GLU 11 HG2 GLU 11 12.083 3.998 -13.014 80 2HG GLU 11 HG3 GLU 11 12.177 5.573 -13.775 81 H CYS 12 H CYS 12 9.219 5.319 -8.994 82 HA CYS 12 HA CYS 12 10.939 6.993 -7.214 83 1HB CYS 12 HB2 CYS 12 7.926 6.620 -7.107 84 2HB CYS 12 HB3 CYS 12 8.934 7.799 -6.237 85 H LYS 13 H LYS 13 9.362 3.941 -7.474 86 HA LYS 13 HA LYS 13 8.940 2.201 -6.142 87 1HB LYS 13 HB2 LYS 13 11.672 2.996 -5.080 88 2HB LYS 13 HB3 LYS 13 10.777 1.615 -4.418 89 1HG LYS 13 HG2 LYS 13 11.557 0.333 -5.990 90 2HG LYS 13 HG3 LYS 13 10.523 1.145 -7.132 91 1HD LYS 13 HD2 LYS 13 13.478 1.459 -6.691 92 2HD LYS 13 HD3 LYS 13 12.532 1.077 -8.157 93 1HE LYS 13 HE2 LYS 13 11.631 3.446 -8.051 94 2HE LYS 13 HE3 LYS 13 12.853 3.795 -6.819 95 1HZ LYS 13 HZ1 LYS 13 13.596 4.417 -8.996 96 2HZ LYS 13 HZ2 LYS 13 14.534 3.179 -8.546 97 3HZ LYS 13 HZ3 LYS 13 13.298 2.964 -9.629 98 H HIS 14 H HIS 14 7.545 4.313 -5.797 99 HA HIS 14 HA HIS 14 6.641 4.057 -3.010 100 1HB HIS 14 HB2 HIS 14 7.865 6.147 -3.091 101 2HB HIS 14 HB3 HIS 14 6.949 6.669 -4.528 102 HD2 HIS 14 HD2 HIS 14 4.942 8.187 -4.020 103 HE1 HIS 14 HE1 HIS 14 3.709 6.613 -0.281 104 HE2 HIS 14 HE2 HIS 14 3.206 8.329 -2.088 105 H HIS 15 H HIS 15 4.424 4.720 -2.863 106 HA HIS 15 HA HIS 15 2.825 3.417 -4.820 107 1HB HIS 15 HB2 HIS 15 2.267 4.804 -2.189 108 2HB HIS 15 HB3 HIS 15 0.929 4.331 -3.223 109 HD2 HIS 15 HD2 HIS 15 0.848 1.622 -3.989 110 HE1 HIS 15 HE1 HIS 15 2.470 0.364 -0.262 111 HE2 HIS 15 HE2 HIS 15 1.177 -0.387 -2.332 112 H VAL 16 H VAL 16 1.201 4.198 -6.132 113 HA VAL 16 HA VAL 16 0.734 7.074 -6.459 114 HB VAL 16 HB VAL 16 1.199 6.973 -8.846 115 1HG1 VAL 16 1HG1 VAL 16 3.550 6.396 -9.009 116 2HG1 VAL 16 2HG1 VAL 16 3.215 7.330 -7.513 117 3HG1 VAL 16 3HG1 VAL 16 3.514 5.594 -7.443 118 1HG2 VAL 16 1HG2 VAL 16 2.030 4.914 -9.996 119 2HG2 VAL 16 2HG2 VAL 16 1.716 3.970 -8.520 120 3HG2 VAL 16 3HG2 VAL 16 0.394 4.705 -9.452 121 H GLU 17 H GLU 17 -1.392 7.482 -7.549 122 HA GLU 17 HA GLU 17 -3.250 5.205 -7.229 123 1HB GLU 17 HB2 GLU 17 -4.950 6.692 -7.321 124 2HB GLU 17 HB3 GLU 17 -3.722 7.556 -6.421 125 1HG GLU 17 HG2 GLU 17 -4.729 8.030 -9.232 126 2HG GLU 17 HG3 GLU 17 -4.812 9.129 -7.878 127 H THR 18 H THR 18 -1.797 7.205 -9.855 128 HA THR 18 HA THR 18 -2.818 5.184 -11.785 129 HB THR 18 HB THR 18 -2.314 8.148 -12.213 130 HG1 THR 18 HG1 THR 18 -3.918 8.319 -11.070 131 1HG2 THR 18 1HG2 THR 18 -2.458 6.557 -14.313 132 2HG2 THR 18 2HG2 THR 18 -4.193 6.527 -13.938 133 3HG2 THR 18 3HG2 THR 18 -3.381 8.058 -14.286 134 H ARG 19 H ARG 19 -1.445 4.356 -13.276 135 HA ARG 19 HA ARG 19 1.315 5.478 -13.471 136 1HB ARG 19 HB2 ARG 19 2.343 3.437 -12.931 137 2HB ARG 19 HB3 ARG 19 1.081 3.609 -11.715 138 1HG ARG 19 HG2 ARG 19 -0.356 2.178 -13.537 139 2HG ARG 19 HG3 ARG 19 1.267 1.653 -14.024 140 1HD ARG 19 HD2 ARG 19 1.083 1.615 -11.211 141 2HD ARG 19 HD3 ARG 19 -0.396 0.854 -11.837 142 HE ARG 19 HE ARG 19 2.362 -0.144 -11.952 143 1HH1 ARG 19 1HH1 ARG 19 -1.058 -1.031 -12.680 144 2HH1 ARG 19 2HH1 ARG 19 -0.563 -2.595 -13.167 145 1HH2 ARG 19 1HH2 ARG 19 2.834 -2.100 -12.330 146 2HH2 ARG 19 2HH2 ARG 19 1.770 -3.291 -12.896 147 H TRP 20 H TRP 20 2.608 4.232 -15.021 148 HA TRP 20 HA TRP 20 1.268 3.204 -17.477 149 1HB TRP 20 HB2 TRP 20 3.919 4.587 -17.025 150 2HB TRP 20 HB3 TRP 20 3.325 3.960 -18.580 151 HD1 TRP 20 HD1 TRP 20 2.714 6.762 -16.034 152 HE1 TRP 20 HE1 TRP 20 1.135 8.516 -16.968 153 HE3 TRP 20 HE3 TRP 20 1.706 4.567 -20.494 154 HZ2 TRP 20 HZ2 TRP 20 -0.549 8.862 -19.320 155 HZ3 TRP 20 HZ3 TRP 20 0.143 5.632 -22.115 156 HH2 TRP 20 HH2 TRP 20 -0.983 7.796 -21.529 157 H HIS 21 H HIS 21 1.896 1.049 -17.842 158 HA HIS 21 HA HIS 21 3.767 -0.170 -15.875 159 1HB HIS 21 HB2 HIS 21 1.736 -0.473 -14.901 160 2HB HIS 21 HB3 HIS 21 0.835 -0.581 -16.369 161 HD2 HIS 21 HD2 HIS 21 3.780 -2.983 -16.064 162 HE1 HIS 21 HE1 HIS 21 0.300 -5.359 -15.550 163 HE2 HIS 21 HE2 HIS 21 2.829 -5.407 -15.788 164 H CYS 22 H CYS 22 5.287 -1.226 -16.929 165 HA CYS 22 HA CYS 22 5.292 -1.916 -19.724 166 1HB CYS 22 HB2 CYS 22 7.026 -1.847 -17.333 167 2HB CYS 22 HB3 CYS 22 7.388 -3.194 -18.375 168 H THR 23 H THR 23 4.551 -3.629 -20.646 169 HA THR 23 HA THR 23 4.011 -6.039 -19.010 170 HB THR 23 HB THR 23 2.309 -6.704 -20.784 171 HG1 THR 23 HG1 THR 23 3.310 -4.452 -21.927 172 1HG2 THR 23 1HG2 THR 23 1.999 -4.045 -19.404 173 2HG2 THR 23 2HG2 THR 23 0.657 -5.139 -19.897 174 3HG2 THR 23 3HG2 THR 23 1.773 -5.631 -18.622 175 H VAL 24 H VAL 24 6.414 -5.018 -20.390 176 HA VAL 24 HA VAL 24 7.461 -7.209 -22.015 177 HB VAL 24 HB VAL 24 7.574 -5.014 -22.933 178 1HG1 VAL 24 1HG1 VAL 24 8.817 -3.229 -21.233 179 2HG1 VAL 24 2HG1 VAL 24 7.102 -3.255 -21.800 180 3HG1 VAL 24 3HG1 VAL 24 7.564 -3.928 -20.254 181 1HG2 VAL 24 1HG2 VAL 24 10.226 -5.190 -21.481 182 2HG2 VAL 24 2HG2 VAL 24 9.813 -6.168 -22.933 183 3HG2 VAL 24 3HG2 VAL 24 9.919 -4.387 -23.019 184 H CYS 25 H CYS 25 8.416 -4.987 -19.442 185 HA CYS 25 HA CYS 25 10.353 -6.587 -18.123 186 1HB CYS 25 HB2 CYS 25 8.814 -4.220 -17.052 187 2HB CYS 25 HB3 CYS 25 10.461 -4.712 -16.628 188 H GLU 26 H GLU 26 10.031 -6.870 -15.625 189 HA GLU 26 HA GLU 26 7.634 -8.446 -15.097 190 1HB GLU 26 HB2 GLU 26 10.273 -8.046 -13.750 191 2HB GLU 26 HB3 GLU 26 8.889 -8.448 -12.721 192 1HG GLU 26 HG2 GLU 26 8.365 -10.392 -14.060 193 2HG GLU 26 HG3 GLU 26 9.742 -10.072 -15.129 194 H ASP 27 H ASP 27 6.007 -6.978 -15.132 195 HA ASP 27 HA ASP 27 4.589 -5.331 -14.487 196 1HB ASP 27 HB2 ASP 27 4.287 -7.247 -12.877 197 2HB ASP 27 HB3 ASP 27 5.347 -6.443 -11.745 198 H TYR 28 H TYR 28 7.086 -4.306 -14.946 199 HA TYR 28 HA TYR 28 7.942 -2.407 -12.955 200 1HB TYR 28 HB2 TYR 28 9.363 -3.326 -14.801 201 2HB TYR 28 HB3 TYR 28 8.396 -2.444 -15.955 202 HD1 TYR 28 HD1 TYR 28 11.329 -2.305 -13.920 203 HD2 TYR 28 HD2 TYR 28 8.350 0.125 -15.874 204 HE1 TYR 28 HE1 TYR 28 12.846 -0.353 -13.821 205 HE2 TYR 28 HE2 TYR 28 9.829 2.048 -15.802 206 HH TYR 28 HH TYR 28 13.142 1.899 -14.403 207 H ASP 29 H ASP 29 7.415 -0.196 -12.775 208 HA ASP 29 HA ASP 29 5.039 0.729 -14.325 209 1HB ASP 29 HB2 ASP 29 5.422 1.684 -11.521 210 2HB ASP 29 HB3 ASP 29 3.928 1.305 -12.362 211 H LEU 30 H LEU 30 4.754 3.037 -14.233 212 HA LEU 30 HA LEU 30 6.905 4.671 -13.089 213 1HB LEU 30 HB2 LEU 30 6.004 4.699 -15.998 214 2HB LEU 30 HB3 LEU 30 6.803 6.030 -15.203 215 HG LEU 30 HG LEU 30 7.963 3.240 -15.723 216 1HD1 LEU 30 1HD1 LEU 30 9.554 4.457 -17.136 217 2HD1 LEU 30 2HD1 LEU 30 7.866 4.810 -17.621 218 3HD1 LEU 30 3HD1 LEU 30 8.783 6.006 -16.687 219 1HD2 LEU 30 1HD2 LEU 30 8.915 4.167 -13.542 220 2HD2 LEU 30 2HD2 LEU 30 10.125 4.039 -14.793 221 3HD2 LEU 30 3HD2 LEU 30 9.406 5.611 -14.431 222 H CYS 31 H CYS 31 5.934 6.410 -12.082 223 HA CYS 31 HA CYS 31 3.131 6.930 -12.275 224 1HB CYS 31 HB2 CYS 31 3.683 9.037 -11.162 225 2HB CYS 31 HB3 CYS 31 4.399 7.713 -10.284 226 H ILE 32 H ILE 32 2.367 9.154 -13.058 227 HA ILE 32 HA ILE 32 2.765 9.278 -15.806 228 HB ILE 32 HB ILE 32 1.928 11.623 -14.067 229 1HG1 ILE 32 2HG1 ILE 32 0.542 9.906 -13.226 230 2HG1 ILE 32 3HG1 ILE 32 -0.434 10.874 -14.297 231 1HG2 ILE 32 1HG2 ILE 32 1.326 10.840 -16.953 232 2HG2 ILE 32 2HG2 ILE 32 0.580 12.208 -16.075 233 3HG2 ILE 32 3HG2 ILE 32 2.311 12.197 -16.359 234 1HD1 ILE 32 1HD1 ILE 32 -0.309 9.147 -16.033 235 2HD1 ILE 32 2HD1 ILE 32 0.684 8.120 -14.936 236 3HD1 ILE 32 3HD1 ILE 32 -0.957 8.524 -14.505 237 H ASN 33 H ASN 33 4.341 11.261 -13.270 238 HA ASN 33 HA ASN 33 5.717 12.983 -15.075 239 1HB ASN 33 HB2 ASN 33 5.434 13.737 -12.813 240 2HB ASN 33 HB3 ASN 33 5.999 12.214 -12.131 241 1HD2 ASN 33 2HD2 ASN 33 8.309 11.770 -11.994 242 2HD2 ASN 33 1HD2 ASN 33 9.440 13.088 -12.158 243 H CYS 34 H CYS 34 6.687 9.916 -13.529 244 HA CYS 34 HA CYS 34 9.364 10.059 -14.593 245 1HB CYS 34 HB2 CYS 34 7.734 7.869 -13.289 246 2HB CYS 34 HB3 CYS 34 9.294 7.549 -14.098 247 H TYR 35 H TYR 35 6.319 8.495 -15.692 248 HA TYR 35 HA TYR 35 7.444 7.215 -17.959 249 1HB TYR 35 HB2 TYR 35 5.142 6.843 -17.180 250 2HB TYR 35 HB3 TYR 35 4.703 8.478 -17.641 251 HD1 TYR 35 HD1 TYR 35 6.228 5.394 -19.146 252 HD2 TYR 35 HD2 TYR 35 3.723 8.846 -19.742 253 HE1 TYR 35 HE1 TYR 35 5.758 4.634 -21.456 254 HE2 TYR 35 HE2 TYR 35 3.247 8.102 -22.066 255 HH TYR 35 HH TYR 35 4.711 5.109 -23.408 256 H ASN 36 H ASN 36 6.100 10.478 -17.570 257 HA ASN 36 HA ASN 36 6.577 11.563 -20.101 258 1HB ASN 36 HB2 ASN 36 6.125 12.662 -17.298 259 2HB ASN 36 HB3 ASN 36 6.476 13.759 -18.556 260 1HD2 ASN 36 2HD2 ASN 36 4.328 14.669 -18.133 261 2HD2 ASN 36 1HD2 ASN 36 2.942 13.896 -18.897 262 H THR 37 H THR 37 9.043 10.693 -17.890 263 HA THR 37 HA THR 37 10.900 12.644 -19.201 264 HB THR 37 HB THR 37 12.179 12.598 -17.036 265 HG1 THR 37 HG1 THR 37 9.725 11.923 -15.854 266 1HG2 THR 37 1HG2 THR 37 10.898 14.570 -17.703 267 2HG2 THR 37 2HG2 THR 37 9.430 13.926 -16.948 268 3HG2 THR 37 3HG2 THR 37 10.841 14.336 -15.955 269 H LYS 38 H LYS 38 10.758 9.620 -17.372 270 HA LYS 38 HA LYS 38 13.278 8.620 -18.249 271 1HB LYS 38 HB2 LYS 38 10.917 6.995 -17.285 272 2HB LYS 38 HB3 LYS 38 12.600 6.553 -17.141 273 1HG LYS 38 HG2 LYS 38 11.270 8.884 -15.628 274 2HG LYS 38 HG3 LYS 38 11.515 7.274 -14.995 275 1HD LYS 38 HD2 LYS 38 13.920 7.594 -14.970 276 2HD LYS 38 HD3 LYS 38 13.781 9.054 -15.974 277 1HE LYS 38 HE2 LYS 38 14.203 9.683 -13.663 278 2HE LYS 38 HE3 LYS 38 12.573 10.208 -14.153 279 1HZ LYS 38 HZ1 LYS 38 12.685 9.163 -11.914 280 2HZ LYS 38 HZ2 LYS 38 11.649 8.404 -12.905 281 3HZ LYS 38 HZ3 LYS 38 13.129 7.759 -12.607 282 H SER 39 H SER 39 10.326 8.920 -19.990 283 HA SER 39 HA SER 39 9.576 8.114 -21.937 284 1HB SER 39 HB2 SER 39 12.548 8.418 -22.579 285 2HB SER 39 HB3 SER 39 11.176 8.568 -23.714 286 HG SER 39 HG SER 39 11.857 10.218 -21.504 287 H HIS 40 H HIS 40 9.577 5.957 -20.423 288 HA HIS 40 HA HIS 40 11.021 3.688 -21.416 289 1HB HIS 40 HB2 HIS 40 9.206 4.266 -19.317 290 2HB HIS 40 HB3 HIS 40 8.404 3.041 -20.289 291 HD1 HIS 40 HD1 HIS 40 11.511 3.405 -18.032 292 HD2 HIS 40 HD2 HIS 40 9.417 0.655 -20.397 293 HE1 HIS 40 HE1 HIS 40 12.371 1.079 -17.377 294 H THR 41 H THR 41 10.820 2.892 -23.352 295 HA THR 41 HA THR 41 8.544 3.722 -24.978 296 HB THR 41 HB THR 41 10.802 2.358 -26.298 297 HG1 THR 41 HG1 THR 41 11.391 4.649 -24.760 298 1HG2 THR 41 1HG2 THR 41 9.214 3.777 -27.530 299 2HG2 THR 41 2HG2 THR 41 9.692 5.189 -26.558 300 3HG2 THR 41 3HG2 THR 41 10.851 4.394 -27.673 301 H HIS 42 H HIS 42 8.769 0.972 -23.115 302 HA HIS 42 HA HIS 42 8.569 -0.965 -25.269 303 1HB HIS 42 HB2 HIS 42 8.176 -1.291 -22.316 304 2HB HIS 42 HB3 HIS 42 8.594 -2.546 -23.487 305 HD2 HIS 42 HD2 HIS 42 11.141 -0.924 -24.836 306 HE1 HIS 42 HE1 HIS 42 12.693 -0.864 -20.878 307 HE2 HIS 42 HE2 HIS 42 13.270 -0.604 -23.337 308 H LYS 43 H LYS 43 6.943 -2.774 -24.800 309 HA LYS 43 HA LYS 43 4.370 -1.649 -25.352 310 1HB LYS 43 HB2 LYS 43 5.429 -3.808 -26.259 311 2HB LYS 43 HB3 LYS 43 4.923 -4.592 -24.767 312 1HG LYS 43 HG2 LYS 43 2.962 -2.949 -26.404 313 2HG LYS 43 HG3 LYS 43 3.443 -4.545 -26.985 314 1HD LYS 43 HD2 LYS 43 1.654 -5.262 -25.864 315 2HD LYS 43 HD3 LYS 43 2.725 -5.227 -24.456 316 1HE LYS 43 HE2 LYS 43 1.975 -2.807 -24.142 317 2HE LYS 43 HE3 LYS 43 0.755 -3.079 -25.367 318 1HZ LYS 43 HZ1 LYS 43 -0.180 -4.790 -23.894 319 2HZ LYS 43 HZ2 LYS 43 1.033 -4.499 -22.795 320 3HZ LYS 43 HZ3 LYS 43 -0.063 -3.335 -23.135 321 H MET 44 H MET 44 3.576 -0.502 -23.726 322 HA MET 44 HA MET 44 3.325 -1.659 -20.987 323 1HB MET 44 HB2 MET 44 3.420 1.162 -22.146 324 2HB MET 44 HB3 MET 44 2.809 0.864 -20.504 325 1HG MET 44 HG2 MET 44 4.680 0.074 -19.671 326 2HG MET 44 HG3 MET 44 5.499 -0.212 -21.218 327 1HE MET 44 HE1 MET 44 6.203 1.171 -18.228 328 2HE MET 44 HE2 MET 44 6.259 2.946 -18.243 329 3HE MET 44 HE3 MET 44 4.702 2.105 -18.217 330 H VAL 45 H VAL 45 1.373 -0.622 -19.811 331 HA VAL 45 HA VAL 45 -1.114 -0.336 -21.279 332 HB VAL 45 HB VAL 45 -2.123 -1.576 -19.421 333 1HG1 VAL 45 1HG1 VAL 45 -1.817 -3.804 -20.306 334 2HG1 VAL 45 2HG1 VAL 45 -1.731 -2.657 -21.671 335 3HG1 VAL 45 3HG1 VAL 45 -0.234 -3.378 -20.998 336 1HG2 VAL 45 1HG2 VAL 45 0.690 -2.628 -18.855 337 2HG2 VAL 45 2HG2 VAL 45 -0.266 -1.547 -17.820 338 3HG2 VAL 45 3HG2 VAL 45 -0.786 -3.222 -18.104 339 H LYS 46 H LYS 46 -2.615 0.816 -19.392 340 HA LYS 46 HA LYS 46 -0.999 2.430 -17.545 341 1HB LYS 46 HB2 LYS 46 -0.850 3.747 -19.557 342 2HB LYS 46 HB3 LYS 46 -2.533 3.471 -19.956 343 1HG LYS 46 HG2 LYS 46 -1.957 4.895 -17.365 344 2HG LYS 46 HG3 LYS 46 -1.610 5.728 -18.884 345 1HD LYS 46 HD2 LYS 46 -3.944 5.288 -19.636 346 2HD LYS 46 HD3 LYS 46 -4.326 4.597 -18.047 347 1HE LYS 46 HE2 LYS 46 -3.899 6.644 -16.934 348 2HE LYS 46 HE3 LYS 46 -3.173 7.394 -18.374 349 1HZ LYS 46 HZ1 LYS 46 -5.988 6.579 -18.084 350 2HZ LYS 46 HZ2 LYS 46 -5.484 8.074 -18.012 351 3HZ LYS 46 HZ3 LYS 46 -5.373 7.293 -19.437 352 H TRP 47 H TRP 47 -2.227 2.930 -15.789 353 HA TRP 47 HA TRP 47 -5.122 2.370 -15.774 354 1HB TRP 47 HB2 TRP 47 -3.253 1.140 -13.766 355 2HB TRP 47 HB3 TRP 47 -4.918 0.673 -14.063 356 HD1 TRP 47 HD1 TRP 47 -1.412 -0.206 -14.717 357 HE1 TRP 47 HE1 TRP 47 -1.217 -2.328 -16.093 358 HE3 TRP 47 HE3 TRP 47 -6.160 -0.316 -16.638 359 HZ2 TRP 47 HZ2 TRP 47 -2.900 -3.808 -17.979 360 HZ3 TRP 47 HZ3 TRP 47 -6.777 -2.040 -18.327 361 HH2 TRP 47 HH2 TRP 47 -5.165 -3.811 -18.960 362 H GLY 48 H GLY 48 -5.985 2.887 -13.487 363 1HA GLY 48 HA2 GLY 48 -4.437 3.762 -11.463 364 2HA GLY 48 HA3 GLY 48 -4.741 5.255 -12.400 365 H LEU 49 H LEU 49 -7.151 5.087 -13.297 366 HA LEU 49 HA LEU 49 -9.342 5.290 -12.944 367 1HB LEU 49 HB2 LEU 49 -9.230 4.029 -10.223 368 2HB LEU 49 HB3 LEU 49 -10.575 4.154 -11.338 369 HG LEU 49 HG LEU 49 -8.153 2.331 -11.624 370 1HD1 LEU 49 1HD1 LEU 49 -11.123 1.742 -11.408 371 2HD1 LEU 49 2HD1 LEU 49 -9.787 0.561 -11.396 372 3HD1 LEU 49 3HD1 LEU 49 -9.967 1.706 -10.042 373 1HD2 LEU 49 1HD2 LEU 49 -9.231 1.439 -13.686 374 2HD2 LEU 49 2HD2 LEU 49 -10.457 2.699 -13.607 375 3HD2 LEU 49 3HD2 LEU 49 -8.765 3.133 -13.898 376 H GLY 50 H GLY 50 -7.036 6.905 -11.165 377 1HA GLY 50 HA2 GLY 50 -9.094 8.646 -9.842 378 2HA GLY 50 HA3 GLY 50 -7.473 8.334 -9.209 379 H LEU 51 H LEU 51 -6.356 8.553 -12.046 380 HA LEU 51 HA LEU 51 -6.667 11.386 -12.720 381 1HB LEU 51 HB2 LEU 51 -4.842 10.898 -10.924 382 2HB LEU 51 HB3 LEU 51 -3.980 10.028 -12.207 383 HG LEU 51 HG LEU 51 -3.709 12.096 -13.486 384 1HD1 LEU 51 1HD1 LEU 51 -5.684 13.389 -12.824 385 2HD1 LEU 51 2HD1 LEU 51 -5.197 13.337 -11.125 386 3HD1 LEU 51 3HD1 LEU 51 -4.229 14.259 -12.320 387 1HD2 LEU 51 1HD2 LEU 51 -2.132 13.142 -11.855 388 2HD2 LEU 51 2HD2 LEU 51 -2.890 12.197 -10.537 389 3HD2 LEU 51 3HD2 LEU 51 -2.025 11.375 -11.823 390 H ASP 52 H ASP 52 -7.641 8.982 -13.815 391 HA ASP 52 HA ASP 52 -5.875 7.911 -15.834 392 1HB ASP 52 HB2 ASP 52 -8.035 6.932 -14.366 393 2HB ASP 52 HB3 ASP 52 -8.777 7.251 -15.922 Start of MODEL 9 1 1H GLY 1 H1 GLY 1 4.107 -2.188 -9.888 2 2H GLY 1 H2 GLY 1 5.196 -3.325 -9.407 3 3H GLY 1 H3 GLY 1 3.909 -3.725 -10.372 4 1HA GLY 1 HA2 GLY 1 3.382 -4.483 -8.223 5 2HA GLY 1 HA3 GLY 1 3.783 -2.852 -7.578 6 H GLN 2 H GLN 2 1.092 -4.503 -7.576 7 HA GLN 2 HA GLN 2 -0.519 -2.216 -8.334 8 1HB GLN 2 HB2 GLN 2 -2.048 -3.753 -9.751 9 2HB GLN 2 HB3 GLN 2 -0.599 -3.014 -10.447 10 1HG GLN 2 HG2 GLN 2 0.628 -5.167 -10.233 11 2HG GLN 2 HG3 GLN 2 -0.858 -5.921 -9.599 12 1HE2 GLN 2 2HE2 GLN 2 0.875 -5.882 -12.405 13 2HE2 GLN 2 1HE2 GLN 2 -0.442 -6.013 -13.547 14 H ASP 3 H ASP 3 -2.581 -2.274 -7.647 15 HA ASP 3 HA ASP 3 -3.693 -4.257 -5.795 16 1HB ASP 3 HB2 ASP 3 -2.503 -2.640 -4.335 17 2HB ASP 3 HB3 ASP 3 -3.180 -1.279 -5.246 18 H ARG 4 H ARG 4 -6.127 -3.454 -5.544 19 HA ARG 4 HA ARG 4 -7.132 -3.093 -8.203 20 1HB ARG 4 HB2 ARG 4 -9.399 -2.781 -6.940 21 2HB ARG 4 HB3 ARG 4 -8.623 -4.330 -7.105 22 1HG ARG 4 HG2 ARG 4 -9.563 -4.071 -4.893 23 2HG ARG 4 HG3 ARG 4 -7.812 -4.285 -4.835 24 1HD ARG 4 HD2 ARG 4 -8.153 -1.492 -4.847 25 2HD ARG 4 HD3 ARG 4 -9.530 -2.053 -3.892 26 HE ARG 4 HE ARG 4 -6.693 -2.094 -3.302 27 1HH1 ARG 4 2HH2 ARG 4 -9.784 -3.267 -2.150 28 2HH1 ARG 4 1HH2 ARG 4 -9.142 -4.038 -0.730 29 1HH2 ARG 4 2HH1 ARG 4 -5.798 -3.292 -1.726 30 2HH2 ARG 4 1HH1 ARG 4 -6.703 -4.001 -0.424 31 H PHE 5 H PHE 5 -6.127 -0.656 -5.934 32 HA PHE 5 HA PHE 5 -6.815 1.303 -7.960 33 1HB PHE 5 HB2 PHE 5 -7.929 2.859 -6.325 34 2HB PHE 5 HB3 PHE 5 -8.843 1.525 -6.953 35 HD1 PHE 5 HD1 PHE 5 -6.425 1.305 -4.024 36 HD2 PHE 5 HD2 PHE 5 -10.544 1.303 -5.342 37 HE1 PHE 5 HE1 PHE 5 -7.137 0.718 -1.765 38 HE2 PHE 5 HE2 PHE 5 -11.255 0.679 -3.054 39 HZ PHE 5 HZ PHE 5 -9.549 0.406 -1.239 40 H VAL 6 H VAL 6 -4.460 0.045 -6.300 41 HA VAL 6 HA VAL 6 -3.036 2.576 -6.073 42 HB VAL 6 HB VAL 6 -3.600 0.598 -3.898 43 1HG1 VAL 6 1HG1 VAL 6 -0.752 1.676 -4.137 44 2HG1 VAL 6 2HG1 VAL 6 -1.493 0.963 -2.694 45 3HG1 VAL 6 3HG1 VAL 6 -1.274 -0.021 -4.148 46 1HG2 VAL 6 1HG2 VAL 6 -2.697 3.477 -4.013 47 2HG2 VAL 6 2HG2 VAL 6 -4.376 2.904 -3.933 48 3HG2 VAL 6 3HG2 VAL 6 -3.286 2.626 -2.558 49 H TYR 7 H TYR 7 -0.801 2.289 -6.440 50 HA TYR 7 HA TYR 7 0.167 -0.128 -7.773 51 1HB TYR 7 HB2 TYR 7 -0.187 2.635 -9.031 52 2HB TYR 7 HB3 TYR 7 0.641 1.292 -9.778 53 HD1 TYR 7 HD1 TYR 7 -0.878 -0.883 -10.090 54 HD2 TYR 7 HD2 TYR 7 -2.477 2.960 -9.104 55 HE1 TYR 7 HE1 TYR 7 -3.181 -1.715 -10.633 56 HE2 TYR 7 HE2 TYR 7 -4.757 2.120 -9.454 57 HH TYR 7 HH TYR 7 -5.436 -1.244 -10.352 58 H THR 8 H THR 8 2.449 0.914 -8.820 59 HA THR 8 HA THR 8 3.679 2.725 -6.839 60 HB THR 8 HB THR 8 5.773 1.144 -7.505 61 HG1 THR 8 HG1 THR 8 4.857 -0.436 -8.598 62 1HG2 THR 8 1HG2 THR 8 5.402 1.549 -5.260 63 2HG2 THR 8 2HG2 THR 8 3.808 0.704 -5.257 64 3HG2 THR 8 3HG2 THR 8 5.336 -0.204 -5.405 65 H CYS 9 H CYS 9 5.779 3.564 -7.805 66 HA CYS 9 HA CYS 9 5.775 3.773 -10.765 67 1HB CYS 9 HB2 CYS 9 5.483 6.061 -9.851 68 2HB CYS 9 HB3 CYS 9 6.807 5.804 -8.704 69 H ASN 10 H ASN 10 7.333 2.121 -11.168 70 HA ASN 10 HA ASN 10 9.179 1.383 -9.108 71 1HB ASN 10 HB2 ASN 10 8.247 -0.187 -10.857 72 2HB ASN 10 HB3 ASN 10 9.359 0.578 -12.028 73 1HD2 ASN 10 2HD2 ASN 10 11.072 -0.883 -12.284 74 2HD2 ASN 10 1HD2 ASN 10 11.871 -1.687 -10.933 75 H GLU 11 H GLU 11 9.181 4.192 -10.812 76 HA GLU 11 HA GLU 11 12.097 4.285 -10.799 77 1HB GLU 11 HB2 GLU 11 10.133 5.655 -12.421 78 2HB GLU 11 HB3 GLU 11 11.243 6.774 -11.640 79 1HG GLU 11 HG2 GLU 11 12.137 4.271 -13.179 80 2HG GLU 11 HG3 GLU 11 12.110 5.902 -13.852 81 H CYS 12 H CYS 12 9.297 5.389 -9.036 82 HA CYS 12 HA CYS 12 11.044 7.049 -7.289 83 1HB CYS 12 HB2 CYS 12 8.033 6.668 -7.199 84 2HB CYS 12 HB3 CYS 12 8.988 7.860 -6.294 85 H LYS 13 H LYS 13 9.503 4.014 -7.551 86 HA LYS 13 HA LYS 13 8.994 2.260 -6.214 87 1HB LYS 13 HB2 LYS 13 11.754 2.986 -5.122 88 2HB LYS 13 HB3 LYS 13 10.863 1.567 -4.583 89 1HG LYS 13 HG2 LYS 13 11.629 0.378 -6.270 90 2HG LYS 13 HG3 LYS 13 10.643 1.346 -7.341 91 1HD LYS 13 HD2 LYS 13 13.604 1.661 -6.768 92 2HD LYS 13 HD3 LYS 13 12.737 1.253 -8.273 93 1HE LYS 13 HE2 LYS 13 11.690 3.584 -8.115 94 2HE LYS 13 HE3 LYS 13 12.932 3.977 -6.925 95 1HZ LYS 13 HZ1 LYS 13 13.333 3.109 -9.717 96 2HZ LYS 13 HZ2 LYS 13 13.565 4.596 -9.161 97 3HZ LYS 13 HZ3 LYS 13 14.596 3.404 -8.701 98 H HIS 14 H HIS 14 7.666 4.410 -5.794 99 HA HIS 14 HA HIS 14 6.763 3.979 -3.029 100 1HB HIS 14 HB2 HIS 14 7.869 6.205 -3.012 101 2HB HIS 14 HB3 HIS 14 6.920 6.708 -4.404 102 HD2 HIS 14 HD2 HIS 14 4.734 7.944 -3.839 103 HE1 HIS 14 HE1 HIS 14 3.720 6.129 -0.148 104 HE2 HIS 14 HE2 HIS 14 2.943 7.719 -1.976 105 H HIS 15 H HIS 15 4.493 4.683 -2.902 106 HA HIS 15 HA HIS 15 2.984 3.283 -4.871 107 1HB HIS 15 HB2 HIS 15 1.738 2.936 -3.037 108 2HB HIS 15 HB3 HIS 15 2.663 4.081 -2.109 109 HD2 HIS 15 HD2 HIS 15 -0.487 3.850 -4.315 110 HE1 HIS 15 HE1 HIS 15 -0.817 7.511 -2.180 111 HE2 HIS 15 HE2 HIS 15 -2.011 5.936 -3.768 112 H VAL 16 H VAL 16 1.228 4.022 -6.058 113 HA VAL 16 HA VAL 16 0.746 6.867 -6.407 114 HB VAL 16 HB VAL 16 1.166 6.906 -8.816 115 1HG1 VAL 16 1HG1 VAL 16 3.574 5.470 -7.619 116 2HG1 VAL 16 2HG1 VAL 16 3.479 6.412 -9.086 117 3HG1 VAL 16 3HG1 VAL 16 3.219 7.211 -7.509 118 1HG2 VAL 16 1HG2 VAL 16 0.412 4.676 -9.471 119 2HG2 VAL 16 2HG2 VAL 16 2.055 4.951 -10.057 120 3HG2 VAL 16 3HG2 VAL 16 1.797 3.928 -8.633 121 H GLU 17 H GLU 17 -1.394 7.139 -7.635 122 HA GLU 17 HA GLU 17 -3.188 4.804 -7.133 123 1HB GLU 17 HB2 GLU 17 -4.942 6.652 -7.650 124 2HB GLU 17 HB3 GLU 17 -4.210 6.528 -6.055 125 1HG GLU 17 HG2 GLU 17 -4.410 8.887 -6.794 126 2HG GLU 17 HG3 GLU 17 -2.740 8.405 -6.497 127 H THR 18 H THR 18 -1.667 6.701 -9.602 128 HA THR 18 HA THR 18 -3.002 5.095 -11.716 129 HB THR 18 HB THR 18 -2.422 8.089 -11.635 130 HG1 THR 18 HG1 THR 18 -4.199 7.941 -10.613 131 1HG2 THR 18 1HG2 THR 18 -2.743 8.133 -13.933 132 2HG2 THR 18 2HG2 THR 18 -2.790 6.356 -13.946 133 3HG2 THR 18 3HG2 THR 18 -4.266 7.305 -13.724 134 H ARG 19 H ARG 19 -1.518 4.116 -13.061 135 HA ARG 19 HA ARG 19 1.224 5.219 -13.161 136 1HB ARG 19 HB2 ARG 19 2.335 3.173 -12.775 137 2HB ARG 19 HB3 ARG 19 1.196 3.331 -11.416 138 1HG ARG 19 HG2 ARG 19 -0.354 1.757 -12.475 139 2HG ARG 19 HG3 ARG 19 0.687 1.622 -13.903 140 1HD ARG 19 HD2 ARG 19 2.246 0.317 -12.919 141 2HD ARG 19 HD3 ARG 19 1.816 0.708 -11.272 142 HE ARG 19 HE ARG 19 -0.500 -0.364 -12.080 143 1HH1 ARG 19 1HH2 ARG 19 2.726 -1.812 -12.119 144 2HH1 ARG 19 2HH2 ARG 19 2.195 -3.326 -12.706 145 1HH2 ARG 19 1HH1 ARG 19 -1.189 -2.449 -12.962 146 2HH2 ARG 19 2HH1 ARG 19 0.049 -3.612 -13.288 147 H TRP 20 H TRP 20 2.476 4.135 -14.795 148 HA TRP 20 HA TRP 20 1.053 3.134 -17.195 149 1HB TRP 20 HB2 TRP 20 3.711 4.547 -16.837 150 2HB TRP 20 HB3 TRP 20 3.049 3.958 -18.373 151 HD1 TRP 20 HD1 TRP 20 2.497 6.670 -15.729 152 HE1 TRP 20 HE1 TRP 20 0.925 8.487 -16.598 153 HE3 TRP 20 HE3 TRP 20 1.330 4.589 -20.181 154 HZ2 TRP 20 HZ2 TRP 20 -0.635 8.995 -18.979 155 HZ3 TRP 20 HZ3 TRP 20 -0.238 5.708 -21.770 156 HH2 TRP 20 HH2 TRP 20 -1.224 7.936 -21.168 157 H HIS 21 H HIS 21 1.750 0.970 -17.675 158 HA HIS 21 HA HIS 21 3.700 -0.224 -15.745 159 1HB HIS 21 HB2 HIS 21 1.733 -0.746 -14.714 160 2HB HIS 21 HB3 HIS 21 0.787 -0.780 -16.170 161 HD2 HIS 21 HD2 HIS 21 3.891 -3.039 -15.972 162 HE1 HIS 21 HE1 HIS 21 0.504 -5.593 -15.834 163 HE2 HIS 21 HE2 HIS 21 3.047 -5.493 -16.050 164 H CYS 22 H CYS 22 5.262 -1.223 -16.790 165 HA CYS 22 HA CYS 22 5.277 -1.773 -19.598 166 1HB CYS 22 HB2 CYS 22 7.009 -1.743 -17.221 167 2HB CYS 22 HB3 CYS 22 7.371 -3.120 -18.258 168 H THR 23 H THR 23 4.491 -3.400 -20.593 169 HA THR 23 HA THR 23 3.932 -5.931 -19.129 170 HB THR 23 HB THR 23 2.226 -6.461 -20.879 171 HG1 THR 23 HG1 THR 23 3.230 -4.030 -21.774 172 1HG2 THR 23 1HG2 THR 23 1.900 -3.771 -19.608 173 2HG2 THR 23 2HG2 THR 23 0.579 -4.896 -20.024 174 3HG2 THR 23 3HG2 THR 23 1.692 -5.295 -18.703 175 H VAL 24 H VAL 24 6.341 -5.046 -20.155 176 HA VAL 24 HA VAL 24 7.433 -7.056 -22.015 177 HB VAL 24 HB VAL 24 7.376 -4.793 -22.808 178 1HG1 VAL 24 1HG1 VAL 24 8.745 -3.145 -21.010 179 2HG1 VAL 24 2HG1 VAL 24 7.074 -3.037 -21.653 180 3HG1 VAL 24 3HG1 VAL 24 7.398 -3.840 -20.157 181 1HG2 VAL 24 1HG2 VAL 24 9.591 -5.994 -23.016 182 2HG2 VAL 24 2HG2 VAL 24 9.802 -4.222 -22.957 183 3HG2 VAL 24 3HG2 VAL 24 10.102 -5.175 -21.510 184 H CYS 25 H CYS 25 8.370 -4.858 -19.386 185 HA CYS 25 HA CYS 25 10.285 -6.583 -18.139 186 1HB CYS 25 HB2 CYS 25 8.770 -4.227 -16.973 187 2HB CYS 25 HB3 CYS 25 10.365 -4.790 -16.496 188 H GLU 26 H GLU 26 9.942 -7.031 -15.660 189 HA GLU 26 HA GLU 26 7.448 -8.502 -15.267 190 1HB GLU 26 HB2 GLU 26 10.114 -8.393 -13.894 191 2HB GLU 26 HB3 GLU 26 8.730 -8.759 -12.881 192 1HG GLU 26 HG2 GLU 26 8.054 -10.584 -14.416 193 2HG GLU 26 HG3 GLU 26 9.475 -10.277 -15.420 194 H ASP 27 H ASP 27 5.866 -6.960 -15.140 195 HA ASP 27 HA ASP 27 4.575 -5.296 -14.352 196 1HB ASP 27 HB2 ASP 27 4.250 -7.287 -12.858 197 2HB ASP 27 HB3 ASP 27 5.313 -6.549 -11.688 198 H TYR 28 H TYR 28 7.030 -4.268 -14.876 199 HA TYR 28 HA TYR 28 7.940 -2.458 -12.829 200 1HB TYR 28 HB2 TYR 28 9.367 -3.307 -14.683 201 2HB TYR 28 HB3 TYR 28 8.349 -2.489 -15.846 202 HD1 TYR 28 HD1 TYR 28 11.353 -2.255 -13.937 203 HD2 TYR 28 HD2 TYR 28 8.213 0.094 -15.724 204 HE1 TYR 28 HE1 TYR 28 12.804 -0.273 -13.852 205 HE2 TYR 28 HE2 TYR 28 9.669 2.088 -15.680 206 HH TYR 28 HH TYR 28 12.970 2.016 -14.311 207 H ASP 29 H ASP 29 7.394 -0.251 -12.623 208 HA ASP 29 HA ASP 29 4.907 0.629 -14.064 209 1HB ASP 29 HB2 ASP 29 5.520 1.650 -11.319 210 2HB ASP 29 HB3 ASP 29 4.008 1.357 -12.102 211 H LEU 30 H LEU 30 4.628 2.985 -14.095 212 HA LEU 30 HA LEU 30 6.812 4.623 -13.052 213 1HB LEU 30 HB2 LEU 30 5.812 4.678 -15.929 214 2HB LEU 30 HB3 LEU 30 6.615 6.003 -15.134 215 HG LEU 30 HG LEU 30 7.772 3.253 -15.733 216 1HD1 LEU 30 1HD1 LEU 30 7.552 4.840 -17.672 217 2HD1 LEU 30 2HD1 LEU 30 8.596 5.971 -16.802 218 3HD1 LEU 30 3HD1 LEU 30 9.235 4.385 -17.268 219 1HD2 LEU 30 1HD2 LEU 30 8.792 4.159 -13.611 220 2HD2 LEU 30 2HD2 LEU 30 9.972 4.180 -14.946 221 3HD2 LEU 30 3HD2 LEU 30 9.137 5.664 -14.448 222 H CYS 31 H CYS 31 5.913 6.458 -12.046 223 HA CYS 31 HA CYS 31 3.107 6.965 -12.229 224 1HB CYS 31 HB2 CYS 31 3.616 9.024 -11.075 225 2HB CYS 31 HB3 CYS 31 4.393 7.740 -10.227 226 H ILE 32 H ILE 32 2.444 9.191 -12.938 227 HA ILE 32 HA ILE 32 2.675 9.379 -15.676 228 HB ILE 32 HB ILE 32 2.002 11.665 -13.788 229 1HG1 ILE 32 2HG1 ILE 32 0.684 10.008 -12.821 230 2HG1 ILE 32 3HG1 ILE 32 -0.412 10.872 -13.858 231 1HG2 ILE 32 1HG2 ILE 32 2.127 12.278 -16.088 232 2HG2 ILE 32 2HG2 ILE 32 1.005 10.964 -16.561 233 3HG2 ILE 32 3HG2 ILE 32 0.432 12.318 -15.558 234 1HD1 ILE 32 1HD1 ILE 32 -0.497 9.055 -15.441 235 2HD1 ILE 32 2HD1 ILE 32 0.848 8.196 -14.634 236 3HD1 ILE 32 3HD1 ILE 32 -0.664 8.372 -13.794 237 H ASN 33 H ASN 33 4.430 11.290 -13.221 238 HA ASN 33 HA ASN 33 5.686 13.025 -15.104 239 1HB ASN 33 HB2 ASN 33 5.650 13.770 -12.800 240 2HB ASN 33 HB3 ASN 33 6.222 12.214 -12.187 241 1HD2 ASN 33 2HD2 ASN 33 8.528 11.720 -12.246 242 2HD2 ASN 33 1HD2 ASN 33 9.673 13.010 -12.562 243 H CYS 34 H CYS 34 6.753 9.983 -13.566 244 HA CYS 34 HA CYS 34 9.341 10.071 -14.783 245 1HB CYS 34 HB2 CYS 34 7.749 7.855 -13.450 246 2HB CYS 34 HB3 CYS 34 9.372 7.633 -14.159 247 H TYR 35 H TYR 35 6.289 8.440 -15.718 248 HA TYR 35 HA TYR 35 7.239 7.181 -18.060 249 1HB TYR 35 HB2 TYR 35 5.068 6.681 -17.234 250 2HB TYR 35 HB3 TYR 35 4.541 8.363 -17.313 251 HD1 TYR 35 HD1 TYR 35 5.713 5.548 -19.542 252 HD2 TYR 35 HD2 TYR 35 3.242 9.066 -19.112 253 HE1 TYR 35 HE1 TYR 35 4.725 5.159 -21.787 254 HE2 TYR 35 HE2 TYR 35 2.268 8.676 -21.337 255 HH TYR 35 HH TYR 35 2.246 7.290 -23.175 256 H ASN 36 H ASN 36 6.070 10.509 -17.549 257 HA ASN 36 HA ASN 36 6.288 11.459 -20.187 258 1HB ASN 36 HB2 ASN 36 5.947 12.582 -17.454 259 2HB ASN 36 HB3 ASN 36 6.643 13.713 -18.556 260 1HD2 ASN 36 2HD2 ASN 36 3.808 11.758 -17.905 261 2HD2 ASN 36 1HD2 ASN 36 2.736 12.583 -19.047 262 H THR 37 H THR 37 8.920 10.742 -17.993 263 HA THR 37 HA THR 37 10.699 12.553 -19.614 264 HB THR 37 HB THR 37 12.009 12.852 -17.508 265 HG1 THR 37 HG1 THR 37 9.667 12.076 -16.161 266 1HG2 THR 37 1HG2 THR 37 10.443 14.599 -18.322 267 2HG2 THR 37 2HG2 THR 37 9.132 13.880 -17.353 268 3HG2 THR 37 3HG2 THR 37 10.543 14.567 -16.545 269 H LYS 38 H LYS 38 10.659 9.641 -17.598 270 HA LYS 38 HA LYS 38 13.302 8.798 -18.208 271 1HB LYS 38 HB2 LYS 38 10.985 7.069 -17.307 272 2HB LYS 38 HB3 LYS 38 12.691 6.762 -17.025 273 1HG LYS 38 HG2 LYS 38 11.211 9.131 -15.773 274 2HG LYS 38 HG3 LYS 38 11.424 7.567 -15.028 275 1HD LYS 38 HD2 LYS 38 13.860 7.884 -14.954 276 2HD LYS 38 HD3 LYS 38 13.705 9.361 -15.932 277 1HE LYS 38 HE2 LYS 38 14.026 10.006 -13.619 278 2HE LYS 38 HE3 LYS 38 12.400 10.459 -14.145 279 1HZ LYS 38 HZ1 LYS 38 13.063 8.063 -12.581 280 2HZ LYS 38 HZ2 LYS 38 12.500 9.431 -11.912 281 3HZ LYS 38 HZ3 LYS 38 11.535 8.607 -12.918 282 H SER 39 H SER 39 10.761 8.933 -20.317 283 HA SER 39 HA SER 39 10.205 7.994 -22.274 284 1HB SER 39 HB2 SER 39 13.237 8.046 -22.560 285 2HB SER 39 HB3 SER 39 12.048 8.177 -23.862 286 HG SER 39 HG SER 39 12.531 10.018 -21.752 287 H HIS 40 H HIS 40 9.850 5.963 -20.628 288 HA HIS 40 HA HIS 40 11.266 3.553 -21.305 289 1HB HIS 40 HB2 HIS 40 9.280 4.389 -19.456 290 2HB HIS 40 HB3 HIS 40 8.504 3.158 -20.445 291 HD1 HIS 40 HD1 HIS 40 11.418 3.491 -17.985 292 HD2 HIS 40 HD2 HIS 40 9.416 0.704 -20.367 293 HE1 HIS 40 HE1 HIS 40 12.228 1.185 -17.220 294 H THR 41 H THR 41 11.262 2.789 -23.300 295 HA THR 41 HA THR 41 9.206 3.646 -25.125 296 HB THR 41 HB THR 41 11.457 2.053 -26.169 297 HG1 THR 41 HG1 THR 41 12.055 4.293 -24.547 298 1HG2 THR 41 1HG2 THR 41 10.613 4.955 -26.590 299 2HG2 THR 41 2HG2 THR 41 11.872 4.086 -27.504 300 3HG2 THR 41 3HG2 THR 41 10.179 3.557 -27.594 301 H HIS 42 H HIS 42 8.961 1.059 -23.169 302 HA HIS 42 HA HIS 42 8.637 -0.992 -25.220 303 1HB HIS 42 HB2 HIS 42 8.212 -1.130 -22.234 304 2HB HIS 42 HB3 HIS 42 8.531 -2.450 -23.387 305 HD2 HIS 42 HD2 HIS 42 11.221 -1.199 -24.719 306 HE1 HIS 42 HE1 HIS 42 12.699 -1.179 -20.734 307 HE2 HIS 42 HE2 HIS 42 13.349 -1.123 -23.195 308 H LYS 43 H LYS 43 6.770 -2.536 -24.849 309 HA LYS 43 HA LYS 43 4.263 -1.152 -25.189 310 1HB LYS 43 HB2 LYS 43 4.779 -3.370 -26.310 311 2HB LYS 43 HB3 LYS 43 4.748 -4.122 -24.707 312 1HG LYS 43 HG2 LYS 43 2.337 -3.165 -24.504 313 2HG LYS 43 HG3 LYS 43 2.483 -2.736 -26.194 314 1HD LYS 43 HD2 LYS 43 1.362 -4.696 -26.334 315 2HD LYS 43 HD3 LYS 43 2.999 -5.277 -26.583 316 1HE LYS 43 HE2 LYS 43 1.550 -5.231 -23.868 317 2HE LYS 43 HE3 LYS 43 1.428 -6.601 -24.960 318 1HZ LYS 43 HZ1 LYS 43 3.815 -6.947 -24.767 319 2HZ LYS 43 HZ2 LYS 43 3.930 -5.600 -23.807 320 3HZ LYS 43 HZ3 LYS 43 3.145 -6.881 -23.275 321 H MET 44 H MET 44 3.428 -0.090 -23.511 322 HA MET 44 HA MET 44 3.266 -1.398 -20.835 323 1HB MET 44 HB2 MET 44 3.368 1.518 -21.769 324 2HB MET 44 HB3 MET 44 2.761 1.049 -20.168 325 1HG MET 44 HG2 MET 44 4.695 0.228 -19.389 326 2HG MET 44 HG3 MET 44 5.467 0.050 -20.949 327 1HE MET 44 HE1 MET 44 4.524 2.321 -17.939 328 2HE MET 44 HE2 MET 44 5.953 1.280 -17.888 329 3HE MET 44 HE3 MET 44 6.125 3.056 -17.804 330 H VAL 45 H VAL 45 1.303 -0.633 -19.658 331 HA VAL 45 HA VAL 45 -1.159 -0.213 -21.190 332 HB VAL 45 HB VAL 45 -2.187 -1.482 -19.302 333 1HG1 VAL 45 1HG1 VAL 45 -0.448 -3.224 -21.090 334 2HG1 VAL 45 2HG1 VAL 45 -1.995 -3.671 -20.341 335 3HG1 VAL 45 3HG1 VAL 45 -1.983 -2.457 -21.602 336 1HG2 VAL 45 1HG2 VAL 45 -0.437 -1.547 -17.720 337 2HG2 VAL 45 2HG2 VAL 45 -0.822 -3.261 -18.158 338 3HG2 VAL 45 3HG2 VAL 45 0.617 -2.472 -18.760 339 H LYS 46 H LYS 46 -2.697 0.681 -19.145 340 HA LYS 46 HA LYS 46 -1.168 2.370 -17.312 341 1HB LYS 46 HB2 LYS 46 -1.426 3.601 -19.526 342 2HB LYS 46 HB3 LYS 46 -3.157 3.581 -19.304 343 1HG LYS 46 HG2 LYS 46 -1.235 4.843 -17.293 344 2HG LYS 46 HG3 LYS 46 -1.837 5.696 -18.697 345 1HD LYS 46 HD2 LYS 46 -4.215 5.328 -17.805 346 2HD LYS 46 HD3 LYS 46 -3.463 4.744 -16.309 347 1HE LYS 46 HE2 LYS 46 -3.835 7.031 -15.963 348 2HE LYS 46 HE3 LYS 46 -2.104 6.856 -16.212 349 1HZ LYS 46 HZ1 LYS 46 -2.542 7.635 -18.550 350 2HZ LYS 46 HZ2 LYS 46 -4.140 7.826 -18.102 351 3HZ LYS 46 HZ3 LYS 46 -3.026 8.708 -17.414 352 H TRP 47 H TRP 47 -2.267 2.509 -15.491 353 HA TRP 47 HA TRP 47 -5.106 1.663 -15.413 354 1HB TRP 47 HB2 TRP 47 -3.032 0.919 -13.337 355 2HB TRP 47 HB3 TRP 47 -4.701 0.357 -13.442 356 HD1 TRP 47 HD1 TRP 47 -1.239 -0.524 -14.431 357 HE1 TRP 47 HE1 TRP 47 -1.129 -2.479 -16.040 358 HE3 TRP 47 HE3 TRP 47 -6.099 -0.551 -15.951 359 HZ2 TRP 47 HZ2 TRP 47 -2.882 -3.776 -17.954 360 HZ3 TRP 47 HZ3 TRP 47 -6.782 -2.052 -17.838 361 HH2 TRP 47 HH2 TRP 47 -5.211 -3.690 -18.775 362 H GLY 48 H GLY 48 -6.303 3.238 -14.285 363 1HA GLY 48 HA2 GLY 48 -4.810 5.300 -12.844 364 2HA GLY 48 HA3 GLY 48 -5.679 5.758 -14.341 365 H LEU 49 H LEU 49 -5.934 6.359 -11.450 366 HA LEU 49 HA LEU 49 -8.805 5.813 -11.134 367 1HB LEU 49 HB2 LEU 49 -6.781 4.309 -9.810 368 2HB LEU 49 HB3 LEU 49 -7.436 5.369 -8.598 369 HG LEU 49 HG LEU 49 -8.516 3.232 -8.652 370 1HD1 LEU 49 1HD1 LEU 49 -10.866 3.902 -8.628 371 2HD1 LEU 49 2HD1 LEU 49 -9.859 5.160 -7.909 372 3HD1 LEU 49 3HD1 LEU 49 -10.471 5.383 -9.560 373 1HD2 LEU 49 1HD2 LEU 49 -9.743 3.745 -11.368 374 2HD2 LEU 49 2HD2 LEU 49 -8.312 2.726 -11.105 375 3HD2 LEU 49 3HD2 LEU 49 -9.834 2.294 -10.346 376 H GLY 50 H GLY 50 -6.462 8.225 -11.135 377 1HA GLY 50 HA2 GLY 50 -8.308 10.004 -9.708 378 2HA GLY 50 HA3 GLY 50 -6.797 9.714 -8.864 379 H LEU 51 H LEU 51 -4.919 9.772 -10.908 380 HA LEU 51 HA LEU 51 -5.238 12.457 -12.159 381 1HB LEU 51 HB2 LEU 51 -2.827 11.209 -10.758 382 2HB LEU 51 HB3 LEU 51 -2.768 12.723 -11.636 383 HG LEU 51 HG LEU 51 -4.531 12.217 -9.178 384 1HD1 LEU 51 1HD1 LEU 51 -1.847 13.642 -9.335 385 2HD1 LEU 51 2HD1 LEU 51 -2.892 13.476 -7.905 386 3HD1 LEU 51 3HD1 LEU 51 -2.131 12.035 -8.624 387 1HD2 LEU 51 1HD2 LEU 51 -5.368 14.068 -10.551 388 2HD2 LEU 51 2HD2 LEU 51 -4.651 14.688 -9.054 389 3HD2 LEU 51 3HD2 LEU 51 -3.751 14.802 -10.582 390 H ASP 52 H ASP 52 -6.053 11.064 -13.935 391 HA ASP 52 HA ASP 52 -4.366 9.082 -15.167 392 1HB ASP 52 HB2 ASP 52 -6.916 9.280 -15.224 393 2HB ASP 52 HB3 ASP 52 -6.665 10.394 -16.574 Start of MODEL 10 1 1H GLY 1 H1 GLY 1 4.177 -3.682 -10.193 2 2H GLY 1 H2 GLY 1 4.410 -2.110 -9.834 3 3H GLY 1 H3 GLY 1 5.543 -3.231 -9.421 4 1HA GLY 1 HA2 GLY 1 3.911 -4.310 -7.938 5 2HA GLY 1 HA3 GLY 1 4.378 -2.677 -7.417 6 H GLN 2 H GLN 2 1.714 -4.467 -7.258 7 HA GLN 2 HA GLN 2 -0.086 -2.246 -7.980 8 1HB GLN 2 HB2 GLN 2 -0.821 -5.137 -8.540 9 2HB GLN 2 HB3 GLN 2 -1.627 -3.675 -9.077 10 1HG GLN 2 HG2 GLN 2 0.671 -3.230 -10.324 11 2HG GLN 2 HG3 GLN 2 0.892 -4.973 -10.102 12 1HE2 GLN 2 2HE2 GLN 2 0.882 -5.105 -12.467 13 2HE2 GLN 2 1HE2 GLN 2 -0.646 -5.081 -13.346 14 H ASP 3 H ASP 3 -2.180 -2.488 -7.088 15 HA ASP 3 HA ASP 3 -2.668 -4.119 -4.694 16 1HB ASP 3 HB2 ASP 3 -1.818 -1.890 -3.856 17 2HB ASP 3 HB3 ASP 3 -3.102 -1.105 -4.768 18 H ARG 4 H ARG 4 -5.179 -2.052 -4.804 19 HA ARG 4 HA ARG 4 -6.600 -3.487 -7.015 20 1HB ARG 4 HB2 ARG 4 -7.742 -2.427 -4.382 21 2HB ARG 4 HB3 ARG 4 -8.610 -3.259 -5.653 22 1HG ARG 4 HG2 ARG 4 -8.316 -4.911 -4.074 23 2HG ARG 4 HG3 ARG 4 -7.065 -5.263 -5.273 24 1HD ARG 4 HD2 ARG 4 -5.348 -4.353 -3.794 25 2HD ARG 4 HD3 ARG 4 -6.577 -3.832 -2.623 26 HE ARG 4 HE ARG 4 -6.890 -6.583 -3.165 27 1HH1 ARG 4 1HH1 ARG 4 -4.390 -4.511 -1.680 28 2HH1 ARG 4 2HH1 ARG 4 -3.920 -5.647 -0.505 29 1HH2 ARG 4 2HH2 ARG 4 -6.158 -8.161 -1.665 30 2HH2 ARG 4 1HH2 ARG 4 -4.900 -7.775 -0.532 31 H PHE 5 H PHE 5 -5.961 -0.440 -5.324 32 HA PHE 5 HA PHE 5 -6.794 1.040 -7.732 33 1HB PHE 5 HB2 PHE 5 -7.900 2.756 -6.438 34 2HB PHE 5 HB3 PHE 5 -8.701 1.206 -6.166 35 HD1 PHE 5 HD1 PHE 5 -8.290 -0.019 -3.937 36 HD2 PHE 5 HD2 PHE 5 -6.881 3.980 -4.686 37 HE1 PHE 5 HE1 PHE 5 -7.960 0.323 -1.519 38 HE2 PHE 5 HE2 PHE 5 -6.556 4.325 -2.251 39 HZ PHE 5 HZ PHE 5 -7.078 2.477 -0.661 40 H VAL 6 H VAL 6 -4.351 0.166 -5.760 41 HA VAL 6 HA VAL 6 -2.904 2.722 -6.105 42 HB VAL 6 HB VAL 6 -3.414 0.988 -3.691 43 1HG1 VAL 6 1HG1 VAL 6 -0.829 2.498 -4.022 44 2HG1 VAL 6 2HG1 VAL 6 -1.425 1.783 -2.500 45 3HG1 VAL 6 3HG1 VAL 6 -1.024 0.714 -3.840 46 1HG2 VAL 6 1HG2 VAL 6 -4.444 3.246 -4.058 47 2HG2 VAL 6 2HG2 VAL 6 -3.523 3.108 -2.551 48 3HG2 VAL 6 3HG2 VAL 6 -2.809 3.958 -3.942 49 H TYR 7 H TYR 7 -0.632 2.346 -6.360 50 HA TYR 7 HA TYR 7 0.370 -0.311 -7.119 51 1HB TYR 7 HB2 TYR 7 0.224 2.038 -9.040 52 2HB TYR 7 HB3 TYR 7 0.793 0.366 -9.356 53 HD1 TYR 7 HD1 TYR 7 -0.800 -1.380 -9.881 54 HD2 TYR 7 HD2 TYR 7 -2.186 2.579 -8.871 55 HE1 TYR 7 HE1 TYR 7 -3.113 -1.998 -10.604 56 HE2 TYR 7 HE2 TYR 7 -4.477 1.909 -9.383 57 HH TYR 7 HH TYR 7 -5.875 0.187 -10.197 58 H THR 8 H THR 8 2.729 0.516 -8.329 59 HA THR 8 HA THR 8 3.809 2.724 -6.603 60 HB THR 8 HB THR 8 5.997 1.335 -7.145 61 HG1 THR 8 HG1 THR 8 5.118 -0.246 -8.373 62 1HG2 THR 8 1HG2 THR 8 4.051 0.426 -4.994 63 2HG2 THR 8 2HG2 THR 8 5.800 0.052 -5.073 64 3HG2 THR 8 3HG2 THR 8 5.273 1.719 -4.868 65 H CYS 9 H CYS 9 5.692 3.792 -7.621 66 HA CYS 9 HA CYS 9 5.654 3.774 -10.612 67 1HB CYS 9 HB2 CYS 9 5.490 6.094 -9.795 68 2HB CYS 9 HB3 CYS 9 6.792 5.820 -8.629 69 H ASN 10 H ASN 10 7.185 2.089 -11.017 70 HA ASN 10 HA ASN 10 9.018 1.232 -9.015 71 1HB ASN 10 HB2 ASN 10 8.022 -0.197 -10.886 72 2HB ASN 10 HB3 ASN 10 9.232 0.582 -11.951 73 1HD2 ASN 10 2HD2 ASN 10 10.768 -1.043 -12.224 74 2HD2 ASN 10 1HD2 ASN 10 11.536 -1.905 -10.886 75 H GLU 11 H GLU 11 9.104 4.077 -10.736 76 HA GLU 11 HA GLU 11 12.012 4.041 -10.656 77 1HB GLU 11 HB2 GLU 11 10.147 5.549 -12.333 78 2HB GLU 11 HB3 GLU 11 11.372 6.548 -11.599 79 1HG GLU 11 HG2 GLU 11 12.089 3.926 -12.997 80 2HG GLU 11 HG3 GLU 11 12.148 5.511 -13.785 81 H CYS 12 H CYS 12 9.237 5.351 -8.996 82 HA CYS 12 HA CYS 12 10.969 7.094 -7.319 83 1HB CYS 12 HB2 CYS 12 7.980 6.527 -7.127 84 2HB CYS 12 HB3 CYS 12 8.890 7.760 -6.233 85 H LYS 13 H LYS 13 9.475 4.016 -7.470 86 HA LYS 13 HA LYS 13 9.012 2.289 -6.105 87 1HB LYS 13 HB2 LYS 13 11.785 3.005 -5.020 88 2HB LYS 13 HB3 LYS 13 10.845 1.665 -4.379 89 1HG LYS 13 HG2 LYS 13 11.662 0.376 -5.943 90 2HG LYS 13 HG3 LYS 13 10.582 1.171 -7.061 91 1HD LYS 13 HD2 LYS 13 13.562 1.478 -6.734 92 2HD LYS 13 HD3 LYS 13 12.575 1.103 -8.164 93 1HE LYS 13 HE2 LYS 13 11.685 3.450 -8.070 94 2HE LYS 13 HE3 LYS 13 12.915 3.833 -6.868 95 1HZ LYS 13 HZ1 LYS 13 14.581 3.192 -8.594 96 2HZ LYS 13 HZ2 LYS 13 13.335 2.947 -9.651 97 3HZ LYS 13 HZ3 LYS 13 13.579 4.410 -9.072 98 H HIS 14 H HIS 14 7.611 4.320 -5.736 99 HA HIS 14 HA HIS 14 6.876 4.333 -2.891 100 1HB HIS 14 HB2 HIS 14 8.157 6.404 -3.231 101 2HB HIS 14 HB3 HIS 14 7.316 6.692 -4.761 102 HD2 HIS 14 HD2 HIS 14 5.455 8.365 -4.688 103 HE1 HIS 14 HE1 HIS 14 3.929 7.590 -0.796 104 HE2 HIS 14 HE2 HIS 14 3.586 8.921 -2.948 105 H HIS 15 H HIS 15 4.567 5.015 -2.742 106 HA HIS 15 HA HIS 15 3.023 3.549 -4.690 107 1HB HIS 15 HB2 HIS 15 2.375 4.918 -2.063 108 2HB HIS 15 HB3 HIS 15 1.095 4.309 -3.107 109 HD2 HIS 15 HD2 HIS 15 1.235 1.604 -3.775 110 HE1 HIS 15 HE1 HIS 15 3.038 0.597 -0.056 111 HE2 HIS 15 HE2 HIS 15 1.767 -0.317 -2.060 112 H VAL 16 H VAL 16 1.351 4.196 -5.902 113 HA VAL 16 HA VAL 16 0.738 7.026 -6.400 114 HB VAL 16 HB VAL 16 1.160 6.781 -8.777 115 1HG1 VAL 16 1HG1 VAL 16 3.525 6.433 -8.930 116 2HG1 VAL 16 2HG1 VAL 16 3.143 7.357 -7.447 117 3HG1 VAL 16 3HG1 VAL 16 3.589 5.637 -7.343 118 1HG2 VAL 16 1HG2 VAL 16 1.900 3.878 -8.241 119 2HG2 VAL 16 2HG2 VAL 16 0.496 4.481 -9.182 120 3HG2 VAL 16 3HG2 VAL 16 2.114 4.736 -9.781 121 H GLU 17 H GLU 17 -1.348 6.975 -7.967 122 HA GLU 17 HA GLU 17 -3.092 4.652 -7.249 123 1HB GLU 17 HB2 GLU 17 -4.912 6.441 -7.705 124 2HB GLU 17 HB3 GLU 17 -4.101 6.345 -6.142 125 1HG GLU 17 HG2 GLU 17 -4.439 8.647 -6.864 126 2HG GLU 17 HG3 GLU 17 -2.715 8.290 -6.650 127 H THR 18 H THR 18 -1.802 6.780 -9.765 128 HA THR 18 HA THR 18 -3.024 5.064 -11.841 129 HB THR 18 HB THR 18 -2.552 8.090 -11.806 130 HG1 THR 18 HG1 THR 18 -4.311 7.825 -10.750 131 1HG2 THR 18 1HG2 THR 18 -3.097 6.238 -14.086 132 2HG2 THR 18 2HG2 THR 18 -4.353 7.476 -13.895 133 3HG2 THR 18 3HG2 THR 18 -2.677 7.950 -14.135 134 H ARG 19 H ARG 19 -1.541 4.283 -13.360 135 HA ARG 19 HA ARG 19 1.217 5.402 -13.410 136 1HB ARG 19 HB2 ARG 19 2.305 3.476 -12.755 137 2HB ARG 19 HB3 ARG 19 1.002 3.642 -11.576 138 1HG ARG 19 HG2 ARG 19 -0.297 1.993 -13.284 139 2HG ARG 19 HG3 ARG 19 1.366 1.607 -13.807 140 1HD ARG 19 HD2 ARG 19 1.427 1.569 -11.020 141 2HD ARG 19 HD3 ARG 19 -0.158 0.864 -11.467 142 HE ARG 19 HE ARG 19 2.553 -0.200 -11.843 143 1HH1 ARG 19 1HH2 ARG 19 -0.918 -0.957 -12.337 144 2HH1 ARG 19 2HH2 ARG 19 -0.550 -2.551 -12.856 145 1HH2 ARG 19 2HH1 ARG 19 2.938 -2.185 -12.351 146 2HH2 ARG 19 1HH1 ARG 19 1.775 -3.313 -12.841 147 H TRP 20 H TRP 20 2.533 4.281 -14.927 148 HA TRP 20 HA TRP 20 1.225 3.164 -17.363 149 1HB TRP 20 HB2 TRP 20 3.896 4.563 -16.905 150 2HB TRP 20 HB3 TRP 20 3.310 3.960 -18.442 151 HD1 TRP 20 HD1 TRP 20 2.609 6.736 -15.889 152 HE1 TRP 20 HE1 TRP 20 0.988 8.432 -16.808 153 HE3 TRP 20 HE3 TRP 20 1.655 4.533 -20.362 154 HZ2 TRP 20 HZ2 TRP 20 -0.516 8.873 -19.208 155 HZ3 TRP 20 HZ3 TRP 20 0.088 5.623 -21.976 156 HH2 TRP 20 HH2 TRP 20 -1.021 7.761 -21.427 157 H HIS 21 H HIS 21 1.913 1.025 -17.747 158 HA HIS 21 HA HIS 21 3.811 -0.184 -15.767 159 1HB HIS 21 HB2 HIS 21 1.820 -0.622 -14.763 160 2HB HIS 21 HB3 HIS 21 0.910 -0.692 -16.240 161 HD2 HIS 21 HD2 HIS 21 3.956 -3.070 -15.987 162 HE1 HIS 21 HE1 HIS 21 0.522 -5.469 -15.421 163 HE2 HIS 21 HE2 HIS 21 3.048 -5.463 -15.789 164 H CYS 22 H CYS 22 5.322 -1.219 -16.818 165 HA CYS 22 HA CYS 22 5.283 -1.908 -19.623 166 1HB CYS 22 HB2 CYS 22 7.122 -1.842 -17.290 167 2HB CYS 22 HB3 CYS 22 7.469 -3.139 -18.424 168 H THR 23 H THR 23 4.449 -3.553 -20.503 169 HA THR 23 HA THR 23 4.019 -6.033 -18.916 170 HB THR 23 HB THR 23 2.271 -6.683 -20.618 171 HG1 THR 23 HG1 THR 23 3.142 -4.414 -21.784 172 1HG2 THR 23 1HG2 THR 23 1.988 -4.058 -19.178 173 2HG2 THR 23 2HG2 THR 23 0.632 -5.121 -19.641 174 3HG2 THR 23 3HG2 THR 23 1.782 -5.634 -18.391 175 H VAL 24 H VAL 24 6.317 -4.961 -20.363 176 HA VAL 24 HA VAL 24 7.357 -7.087 -22.081 177 HB VAL 24 HB VAL 24 7.370 -4.871 -22.943 178 1HG1 VAL 24 1HG1 VAL 24 8.669 -3.114 -21.215 179 2HG1 VAL 24 2HG1 VAL 24 6.982 -3.094 -21.824 180 3HG1 VAL 24 3HG1 VAL 24 7.380 -3.797 -20.287 181 1HG2 VAL 24 1HG2 VAL 24 9.651 -6.016 -23.040 182 2HG2 VAL 24 2HG2 VAL 24 9.756 -4.234 -23.089 183 3HG2 VAL 24 3HG2 VAL 24 10.095 -5.120 -21.588 184 H CYS 25 H CYS 25 8.245 -4.890 -19.445 185 HA CYS 25 HA CYS 25 10.269 -6.575 -18.260 186 1HB CYS 25 HB2 CYS 25 8.799 -4.239 -17.021 187 2HB CYS 25 HB3 CYS 25 10.436 -4.787 -16.633 188 H GLU 26 H GLU 26 9.961 -6.937 -15.748 189 HA GLU 26 HA GLU 26 7.496 -8.467 -15.333 190 1HB GLU 26 HB2 GLU 26 10.216 -8.348 -14.093 191 2HB GLU 26 HB3 GLU 26 8.912 -8.688 -12.966 192 1HG GLU 26 HG2 GLU 26 8.095 -10.518 -14.385 193 2HG GLU 26 HG3 GLU 26 9.472 -10.295 -15.470 194 H ASP 27 H ASP 27 5.929 -6.987 -15.134 195 HA ASP 27 HA ASP 27 4.622 -5.333 -14.323 196 1HB ASP 27 HB2 ASP 27 4.299 -7.291 -12.834 197 2HB ASP 27 HB3 ASP 27 5.435 -6.588 -11.692 198 H TYR 28 H TYR 28 7.052 -4.293 -14.915 199 HA TYR 28 HA TYR 28 7.978 -2.440 -12.869 200 1HB TYR 28 HB2 TYR 28 9.373 -3.341 -14.761 201 2HB TYR 28 HB3 TYR 28 8.384 -2.507 -15.894 202 HD1 TYR 28 HD1 TYR 28 11.353 -2.274 -13.928 203 HD2 TYR 28 HD2 TYR 28 8.254 0.110 -15.772 204 HE1 TYR 28 HE1 TYR 28 12.818 -0.274 -13.853 205 HE2 TYR 28 HE2 TYR 28 9.742 2.049 -15.776 206 HH TYR 28 HH TYR 28 13.092 1.959 -14.480 207 H ASP 29 H ASP 29 7.465 -0.283 -12.703 208 HA ASP 29 HA ASP 29 5.030 0.656 -14.142 209 1HB ASP 29 HB2 ASP 29 5.486 1.653 -11.387 210 2HB ASP 29 HB3 ASP 29 3.992 1.307 -12.196 211 H LEU 30 H LEU 30 4.760 2.978 -14.168 212 HA LEU 30 HA LEU 30 6.869 4.625 -13.023 213 1HB LEU 30 HB2 LEU 30 5.943 4.737 -15.924 214 2HB LEU 30 HB3 LEU 30 6.787 6.012 -15.098 215 HG LEU 30 HG LEU 30 7.902 3.220 -15.719 216 1HD1 LEU 30 1HD1 LEU 30 9.446 4.486 -17.165 217 2HD1 LEU 30 2HD1 LEU 30 7.760 4.791 -17.630 218 3HD1 LEU 30 3HD1 LEU 30 8.672 6.011 -16.690 219 1HD2 LEU 30 1HD2 LEU 30 10.079 4.060 -14.842 220 2HD2 LEU 30 2HD2 LEU 30 9.327 5.601 -14.432 221 3HD2 LEU 30 3HD2 LEU 30 8.905 4.135 -13.542 222 H CYS 31 H CYS 31 5.917 6.436 -12.043 223 HA CYS 31 HA CYS 31 3.099 6.931 -12.260 224 1HB CYS 31 HB2 CYS 31 3.622 9.016 -11.157 225 2HB CYS 31 HB3 CYS 31 4.343 7.686 -10.272 226 H ILE 32 H ILE 32 2.403 9.100 -13.071 227 HA ILE 32 HA ILE 32 2.738 9.246 -15.811 228 HB ILE 32 HB ILE 32 1.878 11.584 -14.070 229 1HG1 ILE 32 2HG1 ILE 32 0.605 9.957 -13.029 230 2HG1 ILE 32 3HG1 ILE 32 -0.461 10.658 -14.212 231 1HG2 ILE 32 1HG2 ILE 32 1.153 10.679 -16.869 232 2HG2 ILE 32 2HG2 ILE 32 0.369 12.004 -15.993 233 3HG2 ILE 32 3HG2 ILE 32 2.111 12.113 -16.341 234 1HD1 ILE 32 1HD1 ILE 32 -0.378 8.645 -15.577 235 2HD1 ILE 32 2HD1 ILE 32 0.955 7.964 -14.605 236 3HD1 ILE 32 3HD1 ILE 32 -0.588 8.170 -13.853 237 H ASN 33 H ASN 33 4.251 11.258 -13.326 238 HA ASN 33 HA ASN 33 5.588 13.006 -15.116 239 1HB ASN 33 HB2 ASN 33 5.189 13.721 -12.861 240 2HB ASN 33 HB3 ASN 33 5.946 12.274 -12.177 241 1HD2 ASN 33 2HD2 ASN 33 8.159 12.275 -11.757 242 2HD2 ASN 33 1HD2 ASN 33 9.190 13.643 -12.144 243 H CYS 34 H CYS 34 6.621 9.951 -13.516 244 HA CYS 34 HA CYS 34 9.315 10.124 -14.525 245 1HB CYS 34 HB2 CYS 34 7.633 7.937 -13.292 246 2HB CYS 34 HB3 CYS 34 9.178 7.597 -14.106 247 H TYR 35 H TYR 35 6.292 8.555 -15.690 248 HA TYR 35 HA TYR 35 7.412 7.255 -17.952 249 1HB TYR 35 HB2 TYR 35 5.136 6.838 -17.196 250 2HB TYR 35 HB3 TYR 35 4.631 8.459 -17.623 251 HD1 TYR 35 HD1 TYR 35 6.436 5.538 -19.208 252 HD2 TYR 35 HD2 TYR 35 3.454 8.625 -19.717 253 HE1 TYR 35 HE1 TYR 35 6.007 4.747 -21.491 254 HE2 TYR 35 HE2 TYR 35 3.076 7.878 -22.033 255 HH TYR 35 HH TYR 35 4.914 5.101 -23.441 256 H ASN 36 H ASN 36 6.188 10.577 -17.574 257 HA ASN 36 HA ASN 36 6.599 11.600 -20.132 258 1HB ASN 36 HB2 ASN 36 6.124 12.666 -17.373 259 2HB ASN 36 HB3 ASN 36 6.867 13.789 -18.428 260 1HD2 ASN 36 2HD2 ASN 36 4.014 11.774 -17.950 261 2HD2 ASN 36 1HD2 ASN 36 2.984 12.661 -19.067 262 H THR 37 H THR 37 9.127 10.778 -17.883 263 HA THR 37 HA THR 37 10.969 12.568 -19.410 264 HB THR 37 HB THR 37 12.257 12.689 -17.221 265 HG1 THR 37 HG1 THR 37 9.819 12.079 -15.983 266 1HG2 THR 37 1HG2 THR 37 10.942 14.592 -18.029 267 2HG2 THR 37 2HG2 THR 37 9.468 13.966 -17.254 268 3HG2 THR 37 3HG2 THR 37 10.854 14.492 -16.265 269 H LYS 38 H LYS 38 10.666 9.541 -17.596 270 HA LYS 38 HA LYS 38 13.283 8.572 -18.250 271 1HB LYS 38 HB2 LYS 38 10.866 6.969 -17.353 272 2HB LYS 38 HB3 LYS 38 12.550 6.493 -17.228 273 1HG LYS 38 HG2 LYS 38 11.357 8.894 -15.764 274 2HG LYS 38 HG3 LYS 38 11.431 7.277 -15.086 275 1HD LYS 38 HD2 LYS 38 13.881 7.395 -15.023 276 2HD LYS 38 HD3 LYS 38 13.875 8.880 -15.994 277 1HE LYS 38 HE2 LYS 38 14.240 9.444 -13.678 278 2HE LYS 38 HE3 LYS 38 12.707 10.106 -14.240 279 1HZ LYS 38 HZ1 LYS 38 11.563 8.342 -13.062 280 2HZ LYS 38 HZ2 LYS 38 13.001 7.641 -12.642 281 3HZ LYS 38 HZ3 LYS 38 12.560 9.089 -12.029 282 H SER 39 H SER 39 10.575 8.935 -20.265 283 HA SER 39 HA SER 39 9.990 8.131 -22.274 284 1HB SER 39 HB2 SER 39 13.038 8.043 -22.560 285 2HB SER 39 HB3 SER 39 11.861 8.284 -23.869 286 HG SER 39 HG SER 39 12.494 10.022 -21.717 287 H HIS 40 H HIS 40 9.648 6.010 -20.620 288 HA HIS 40 HA HIS 40 11.027 3.618 -21.425 289 1HB HIS 40 HB2 HIS 40 9.280 4.370 -19.352 290 2HB HIS 40 HB3 HIS 40 8.348 3.227 -20.320 291 HD1 HIS 40 HD1 HIS 40 11.407 3.414 -18.022 292 HD2 HIS 40 HD2 HIS 40 9.356 0.714 -20.460 293 HE1 HIS 40 HE1 HIS 40 12.215 1.091 -17.350 294 H THR 41 H THR 41 10.906 2.983 -23.460 295 HA THR 41 HA THR 41 8.689 3.793 -25.115 296 HB THR 41 HB THR 41 10.936 2.205 -26.240 297 HG1 THR 41 HG1 THR 41 11.527 4.528 -24.759 298 1HG2 THR 41 1HG2 THR 41 11.118 4.101 -27.784 299 2HG2 THR 41 2HG2 THR 41 9.458 3.515 -27.657 300 3HG2 THR 41 3HG2 THR 41 9.923 5.011 -26.806 301 H HIS 42 H HIS 42 8.956 1.007 -23.252 302 HA HIS 42 HA HIS 42 8.520 -0.943 -25.336 303 1HB HIS 42 HB2 HIS 42 8.078 -1.116 -22.358 304 2HB HIS 42 HB3 HIS 42 8.394 -2.451 -23.493 305 HD2 HIS 42 HD2 HIS 42 11.064 -1.195 -24.887 306 HE1 HIS 42 HE1 HIS 42 12.568 -1.260 -20.873 307 HE2 HIS 42 HE2 HIS 42 13.231 -1.107 -23.343 308 H LYS 43 H LYS 43 6.613 -2.566 -25.008 309 HA LYS 43 HA LYS 43 4.186 -1.024 -25.277 310 1HB LYS 43 HB2 LYS 43 4.728 -3.086 -26.637 311 2HB LYS 43 HB3 LYS 43 4.351 -4.064 -25.248 312 1HG LYS 43 HG2 LYS 43 2.165 -2.235 -25.422 313 2HG LYS 43 HG3 LYS 43 2.570 -2.577 -27.103 314 1HD LYS 43 HD2 LYS 43 0.858 -4.140 -26.411 315 2HD LYS 43 HD3 LYS 43 2.363 -5.034 -26.550 316 1HE LYS 43 HE2 LYS 43 1.346 -5.770 -24.511 317 2HE LYS 43 HE3 LYS 43 2.699 -4.750 -24.058 318 1HZ LYS 43 HZ1 LYS 43 1.071 -2.925 -23.736 319 2HZ LYS 43 HZ2 LYS 43 -0.155 -3.996 -23.969 320 3HZ LYS 43 HZ3 LYS 43 0.919 -4.166 -22.730 321 H MET 44 H MET 44 3.841 -0.073 -23.342 322 HA MET 44 HA MET 44 3.447 -1.601 -20.869 323 1HB MET 44 HB2 MET 44 3.323 1.326 -21.798 324 2HB MET 44 HB3 MET 44 2.762 0.873 -20.187 325 1HG MET 44 HG2 MET 44 4.720 0.140 -19.455 326 2HG MET 44 HG3 MET 44 5.474 -0.056 -21.023 327 1HE MET 44 HE1 MET 44 6.171 1.224 -18.059 328 2HE MET 44 HE2 MET 44 6.236 3.019 -17.982 329 3HE MET 44 HE3 MET 44 4.692 2.177 -17.943 330 H VAL 45 H VAL 45 1.403 -0.580 -19.694 331 HA VAL 45 HA VAL 45 -1.087 -0.403 -21.192 332 HB VAL 45 HB VAL 45 -2.078 -1.645 -19.293 333 1HG1 VAL 45 1HG1 VAL 45 -1.774 -3.862 -20.221 334 2HG1 VAL 45 2HG1 VAL 45 -1.702 -2.706 -21.567 335 3HG1 VAL 45 3HG1 VAL 45 -0.195 -3.424 -20.906 336 1HG2 VAL 45 1HG2 VAL 45 0.763 -2.530 -18.723 337 2HG2 VAL 45 2HG2 VAL 45 -0.304 -1.553 -17.715 338 3HG2 VAL 45 3HG2 VAL 45 -0.646 -3.300 -18.044 339 H LYS 46 H LYS 46 -2.633 0.685 -19.310 340 HA LYS 46 HA LYS 46 -1.077 2.300 -17.405 341 1HB LYS 46 HB2 LYS 46 -1.218 3.585 -19.594 342 2HB LYS 46 HB3 LYS 46 -2.969 3.550 -19.463 343 1HG LYS 46 HG2 LYS 46 -1.165 4.829 -17.337 344 2HG LYS 46 HG3 LYS 46 -1.661 5.641 -18.810 345 1HD LYS 46 HD2 LYS 46 -4.084 5.363 -18.062 346 2HD LYS 46 HD3 LYS 46 -3.466 4.765 -16.524 347 1HE LYS 46 HE2 LYS 46 -3.927 7.110 -16.321 348 2HE LYS 46 HE3 LYS 46 -2.171 6.870 -16.213 349 1HZ LYS 46 HZ1 LYS 46 -2.645 8.704 -17.585 350 2HZ LYS 46 HZ2 LYS 46 -2.175 7.563 -18.655 351 3HZ LYS 46 HZ3 LYS 46 -3.770 8.030 -18.382 352 H TRP 47 H TRP 47 -2.232 2.529 -15.603 353 HA TRP 47 HA TRP 47 -5.086 1.683 -15.613 354 1HB TRP 47 HB2 TRP 47 -3.087 1.009 -13.446 355 2HB TRP 47 HB3 TRP 47 -4.742 0.392 -13.618 356 HD1 TRP 47 HD1 TRP 47 -1.232 -0.344 -14.511 357 HE1 TRP 47 HE1 TRP 47 -1.031 -2.422 -15.956 358 HE3 TRP 47 HE3 TRP 47 -6.090 -0.677 -16.092 359 HZ2 TRP 47 HZ2 TRP 47 -2.699 -3.879 -17.816 360 HZ3 TRP 47 HZ3 TRP 47 -6.665 -2.279 -17.907 361 HH2 TRP 47 HH2 TRP 47 -4.996 -3.900 -18.729 362 H GLY 48 H GLY 48 -6.318 3.247 -14.534 363 1HA GLY 48 HA2 GLY 48 -4.857 5.249 -12.937 364 2HA GLY 48 HA3 GLY 48 -5.713 5.798 -14.397 365 H LEU 49 H LEU 49 -5.849 6.104 -11.459 366 HA LEU 49 HA LEU 49 -8.720 5.527 -11.000 367 1HB LEU 49 HB2 LEU 49 -6.305 4.953 -9.289 368 2HB LEU 49 HB3 LEU 49 -7.795 5.332 -8.483 369 HG LEU 49 HG LEU 49 -7.481 3.025 -8.598 370 1HD1 LEU 49 1HD1 LEU 49 -9.767 3.648 -10.513 371 2HD1 LEU 49 2HD1 LEU 49 -9.624 2.243 -9.465 372 3HD1 LEU 49 3HD1 LEU 49 -9.788 3.858 -8.745 373 1HD2 LEU 49 1HD2 LEU 49 -6.144 2.884 -10.749 374 2HD2 LEU 49 2HD2 LEU 49 -7.293 1.582 -10.404 375 3HD2 LEU 49 3HD2 LEU 49 -7.717 2.807 -11.594 376 H GLY 50 H GLY 50 -6.498 8.109 -11.270 377 1HA GLY 50 HA2 GLY 50 -8.495 9.924 -10.263 378 2HA GLY 50 HA3 GLY 50 -7.174 9.774 -9.115 379 H LEU 51 H LEU 51 -4.930 9.706 -10.927 380 HA LEU 51 HA LEU 51 -5.054 12.402 -12.222 381 1HB LEU 51 HB2 LEU 51 -2.844 11.107 -10.559 382 2HB LEU 51 HB3 LEU 51 -2.704 12.615 -11.420 383 HG LEU 51 HG LEU 51 -4.647 12.102 -9.110 384 1HD1 LEU 51 1HD1 LEU 51 -2.001 13.599 -9.215 385 2HD1 LEU 51 2HD1 LEU 51 -3.087 13.536 -7.793 386 3HD1 LEU 51 3HD1 LEU 51 -2.297 12.064 -8.403 387 1HD2 LEU 51 1HD2 LEU 51 -3.928 14.707 -10.491 388 2HD2 LEU 51 2HD2 LEU 51 -5.500 13.870 -10.582 389 3HD2 LEU 51 3HD2 LEU 51 -4.944 14.504 -9.030 390 H ASP 52 H ASP 52 -5.589 11.359 -14.184 391 HA ASP 52 HA ASP 52 -4.184 9.242 -15.347 392 1HB ASP 52 HB2 ASP 52 -6.425 10.212 -16.062 393 2HB ASP 52 HB3 ASP 52 -5.511 11.433 -16.962 Start of MODEL 11 1 1H GLY 1 H1 GLY 1 4.282 -2.108 -9.995 2 2H GLY 1 H2 GLY 1 5.324 -3.278 -9.509 3 3H GLY 1 H3 GLY 1 4.021 -3.669 -10.415 4 1HA GLY 1 HA2 GLY 1 3.543 -4.331 -8.222 5 2HA GLY 1 HA3 GLY 1 3.986 -2.698 -7.645 6 H GLN 2 H GLN 2 1.258 -4.366 -7.592 7 HA GLN 2 HA GLN 2 -0.406 -2.111 -8.388 8 1HB GLN 2 HB2 GLN 2 -1.911 -3.885 -9.625 9 2HB GLN 2 HB3 GLN 2 -0.596 -3.112 -10.455 10 1HG GLN 2 HG2 GLN 2 0.859 -5.091 -10.183 11 2HG GLN 2 HG3 GLN 2 -0.405 -5.924 -9.284 12 1HE2 GLN 2 2HE2 GLN 2 0.991 -5.831 -12.320 13 2HE2 GLN 2 1HE2 GLN 2 -0.387 -6.384 -13.247 14 H ASP 3 H ASP 3 -2.522 -2.239 -7.699 15 HA ASP 3 HA ASP 3 -3.520 -4.107 -5.688 16 1HB ASP 3 HB2 ASP 3 -2.328 -2.438 -4.346 17 2HB ASP 3 HB3 ASP 3 -3.037 -1.104 -5.259 18 H ARG 4 H ARG 4 -5.960 -3.348 -5.429 19 HA ARG 4 HA ARG 4 -7.047 -3.133 -8.096 20 1HB ARG 4 HB2 ARG 4 -9.273 -2.787 -6.780 21 2HB ARG 4 HB3 ARG 4 -8.473 -4.346 -6.908 22 1HG ARG 4 HG2 ARG 4 -9.365 -4.048 -4.710 23 2HG ARG 4 HG3 ARG 4 -7.623 -4.214 -4.672 24 1HD ARG 4 HD2 ARG 4 -8.017 -1.433 -4.765 25 2HD ARG 4 HD3 ARG 4 -9.368 -1.970 -3.780 26 HE ARG 4 HE ARG 4 -6.508 -2.016 -3.295 27 1HH1 ARG 4 1HH2 ARG 4 -9.552 -3.080 -1.941 28 2HH1 ARG 4 2HH2 ARG 4 -8.856 -3.858 -0.550 29 1HH2 ARG 4 1HH1 ARG 4 -5.549 -3.046 -1.630 30 2HH2 ARG 4 2HH1 ARG 4 -6.421 -3.680 -0.274 31 H PHE 5 H PHE 5 -6.137 -0.590 -5.879 32 HA PHE 5 HA PHE 5 -6.893 1.271 -8.011 33 1HB PHE 5 HB2 PHE 5 -7.909 2.894 -6.379 34 2HB PHE 5 HB3 PHE 5 -8.867 1.545 -6.876 35 HD1 PHE 5 HD1 PHE 5 -10.456 1.435 -5.144 36 HD2 PHE 5 HD2 PHE 5 -6.250 1.423 -4.128 37 HE1 PHE 5 HE1 PHE 5 -11.011 0.887 -2.817 38 HE2 PHE 5 HE2 PHE 5 -6.816 0.878 -1.811 39 HZ PHE 5 HZ PHE 5 -9.220 0.618 -1.112 40 H VAL 6 H VAL 6 -4.493 0.135 -6.228 41 HA VAL 6 HA VAL 6 -3.055 2.712 -6.224 42 HB VAL 6 HB VAL 6 -3.520 0.768 -3.999 43 1HG1 VAL 6 1HG1 VAL 6 -0.867 2.232 -4.239 44 2HG1 VAL 6 2HG1 VAL 6 -1.450 1.329 -2.825 45 3HG1 VAL 6 3HG1 VAL 6 -1.107 0.468 -4.343 46 1HG2 VAL 6 1HG2 VAL 6 -4.485 3.044 -4.076 47 2HG2 VAL 6 2HG2 VAL 6 -3.405 2.825 -2.681 48 3HG2 VAL 6 3HG2 VAL 6 -2.842 3.725 -4.122 49 H TYR 7 H TYR 7 -0.789 2.417 -6.528 50 HA TYR 7 HA TYR 7 0.154 -0.055 -7.832 51 1HB TYR 7 HB2 TYR 7 -0.228 2.709 -9.074 52 2HB TYR 7 HB3 TYR 7 0.648 1.420 -9.841 53 HD1 TYR 7 HD1 TYR 7 -0.815 -0.839 -10.168 54 HD2 TYR 7 HD2 TYR 7 -2.496 2.995 -9.231 55 HE1 TYR 7 HE1 TYR 7 -3.118 -1.699 -10.712 56 HE2 TYR 7 HE2 TYR 7 -4.747 2.132 -9.600 57 HH TYR 7 HH TYR 7 -5.387 -1.249 -10.463 58 H THR 8 H THR 8 2.540 0.765 -8.795 59 HA THR 8 HA THR 8 3.705 2.701 -6.865 60 HB THR 8 HB THR 8 5.833 1.180 -7.497 61 HG1 THR 8 HG1 THR 8 5.002 -0.370 -8.666 62 1HG2 THR 8 1HG2 THR 8 3.792 0.614 -5.341 63 2HG2 THR 8 2HG2 THR 8 5.374 -0.207 -5.428 64 3HG2 THR 8 3HG2 THR 8 5.321 1.544 -5.237 65 H CYS 9 H CYS 9 5.778 3.604 -7.795 66 HA CYS 9 HA CYS 9 5.738 3.853 -10.778 67 1HB CYS 9 HB2 CYS 9 5.521 6.140 -9.813 68 2HB CYS 9 HB3 CYS 9 6.869 5.821 -8.710 69 H ASN 10 H ASN 10 7.398 2.248 -11.287 70 HA ASN 10 HA ASN 10 9.161 1.415 -9.200 71 1HB ASN 10 HB2 ASN 10 8.338 -0.072 -11.036 72 2HB ASN 10 HB3 ASN 10 9.499 0.740 -12.123 73 1HD2 ASN 10 2HD2 ASN 10 11.179 -0.768 -12.333 74 2HD2 ASN 10 1HD2 ASN 10 11.952 -1.585 -10.973 75 H GLU 11 H GLU 11 9.194 4.281 -10.814 76 HA GLU 11 HA GLU 11 12.143 4.395 -10.741 77 1HB GLU 11 HB2 GLU 11 10.131 5.883 -12.294 78 2HB GLU 11 HB3 GLU 11 11.321 6.905 -11.520 79 1HG GLU 11 HG2 GLU 11 12.028 4.443 -13.221 80 2HG GLU 11 HG3 GLU 11 12.040 6.090 -13.838 81 H CYS 12 H CYS 12 9.270 5.370 -9.003 82 HA CYS 12 HA CYS 12 10.935 7.082 -7.226 83 1HB CYS 12 HB2 CYS 12 7.955 6.564 -7.067 84 2HB CYS 12 HB3 CYS 12 8.870 7.765 -6.191 85 H LYS 13 H LYS 13 9.485 3.980 -7.528 86 HA LYS 13 HA LYS 13 8.966 2.226 -6.211 87 1HB LYS 13 HB2 LYS 13 11.715 2.905 -5.073 88 2HB LYS 13 HB3 LYS 13 10.816 1.505 -4.583 89 1HG LYS 13 HG2 LYS 13 11.631 0.352 -6.295 90 2HG LYS 13 HG3 LYS 13 10.624 1.311 -7.355 91 1HD LYS 13 HD2 LYS 13 13.583 1.621 -6.757 92 2HD LYS 13 HD3 LYS 13 12.741 1.264 -8.287 93 1HE LYS 13 HE2 LYS 13 11.691 3.544 -8.090 94 2HE LYS 13 HE3 LYS 13 12.912 3.920 -6.857 95 1HZ LYS 13 HZ1 LYS 13 13.351 3.117 -9.678 96 2HZ LYS 13 HZ2 LYS 13 13.546 4.609 -9.081 97 3HZ LYS 13 HZ3 LYS 13 14.597 3.432 -8.628 98 H HIS 14 H HIS 14 7.556 4.204 -5.825 99 HA HIS 14 HA HIS 14 6.754 4.085 -3.004 100 1HB HIS 14 HB2 HIS 14 7.949 6.179 -3.199 101 2HB HIS 14 HB3 HIS 14 7.092 6.599 -4.692 102 HD2 HIS 14 HD2 HIS 14 5.320 8.370 -4.277 103 HE1 HIS 14 HE1 HIS 14 3.761 7.006 -0.556 104 HE2 HIS 14 HE2 HIS 14 3.489 8.722 -2.430 105 H HIS 15 H HIS 15 4.470 4.691 -2.886 106 HA HIS 15 HA HIS 15 2.914 3.348 -4.903 107 1HB HIS 15 HB2 HIS 15 2.273 4.578 -2.215 108 2HB HIS 15 HB3 HIS 15 0.997 4.035 -3.298 109 HD2 HIS 15 HD2 HIS 15 1.215 1.326 -4.132 110 HE1 HIS 15 HE1 HIS 15 2.739 0.181 -0.323 111 HE2 HIS 15 HE2 HIS 15 1.660 -0.661 -2.487 112 H VAL 16 H VAL 16 1.239 4.137 -6.120 113 HA VAL 16 HA VAL 16 0.696 7.010 -6.370 114 HB VAL 16 HB VAL 16 1.195 7.041 -8.742 115 1HG1 VAL 16 1HG1 VAL 16 3.575 6.457 -8.936 116 2HG1 VAL 16 2HG1 VAL 16 3.256 7.278 -7.381 117 3HG1 VAL 16 3HG1 VAL 16 3.527 5.513 -7.495 118 1HG2 VAL 16 1HG2 VAL 16 2.039 5.094 -10.019 119 2HG2 VAL 16 2HG2 VAL 16 1.754 4.031 -8.638 120 3HG2 VAL 16 3HG2 VAL 16 0.401 4.840 -9.463 121 H GLU 17 H GLU 17 -1.409 7.238 -7.703 122 HA GLU 17 HA GLU 17 -3.188 4.873 -7.239 123 1HB GLU 17 HB2 GLU 17 -4.936 6.729 -7.750 124 2HB GLU 17 HB3 GLU 17 -4.204 6.588 -6.154 125 1HG GLU 17 HG2 GLU 17 -4.420 8.955 -6.904 126 2HG GLU 17 HG3 GLU 17 -2.750 8.483 -6.571 127 H THR 18 H THR 18 -1.624 6.756 -9.695 128 HA THR 18 HA THR 18 -2.973 5.152 -11.798 129 HB THR 18 HB THR 18 -2.376 8.141 -11.719 130 HG1 THR 18 HG1 THR 18 -4.144 7.948 -10.705 131 1HG2 THR 18 1HG2 THR 18 -2.716 8.228 -13.971 132 2HG2 THR 18 2HG2 THR 18 -2.601 6.467 -14.059 133 3HG2 THR 18 3HG2 THR 18 -4.180 7.293 -13.857 134 H ARG 19 H ARG 19 -1.444 4.226 -13.239 135 HA ARG 19 HA ARG 19 1.296 5.328 -13.324 136 1HB ARG 19 HB2 ARG 19 2.400 3.270 -12.841 137 2HB ARG 19 HB3 ARG 19 1.262 3.506 -11.514 138 1HG ARG 19 HG2 ARG 19 -0.313 1.892 -12.485 139 2HG ARG 19 HG3 ARG 19 0.695 1.701 -13.923 140 1HD ARG 19 HD2 ARG 19 2.276 0.419 -12.962 141 2HD ARG 19 HD3 ARG 19 1.844 0.813 -11.323 142 HE ARG 19 HE ARG 19 -0.477 -0.248 -12.239 143 1HH1 ARG 19 1HH2 ARG 19 2.768 -1.732 -12.133 144 2HH1 ARG 19 2HH2 ARG 19 2.214 -3.266 -12.654 145 1HH2 ARG 19 1HH1 ARG 19 -1.155 -2.355 -13.044 146 2HH2 ARG 19 2HH1 ARG 19 0.066 -3.569 -13.232 147 H TRP 20 H TRP 20 2.579 4.181 -14.897 148 HA TRP 20 HA TRP 20 1.198 3.092 -17.317 149 1HB TRP 20 HB2 TRP 20 3.927 4.414 -16.937 150 2HB TRP 20 HB3 TRP 20 3.282 3.803 -18.443 151 HD1 TRP 20 HD1 TRP 20 3.015 6.762 -16.079 152 HE1 TRP 20 HE1 TRP 20 1.500 8.568 -17.041 153 HE3 TRP 20 HE3 TRP 20 1.495 4.370 -20.292 154 HZ2 TRP 20 HZ2 TRP 20 -0.413 8.834 -19.169 155 HZ3 TRP 20 HZ3 TRP 20 -0.210 5.423 -21.805 156 HH2 TRP 20 HH2 TRP 20 -1.174 7.652 -21.238 157 H HIS 21 H HIS 21 1.917 0.956 -17.733 158 HA HIS 21 HA HIS 21 3.847 -0.196 -15.800 159 1HB HIS 21 HB2 HIS 21 1.907 -0.758 -14.711 160 2HB HIS 21 HB3 HIS 21 0.926 -0.787 -16.158 161 HD2 HIS 21 HD2 HIS 21 4.029 -3.055 -15.948 162 HE1 HIS 21 HE1 HIS 21 0.621 -5.577 -15.648 163 HE2 HIS 21 HE2 HIS 21 3.146 -5.525 -15.913 164 H CYS 22 H CYS 22 5.326 -1.284 -16.837 165 HA CYS 22 HA CYS 22 5.289 -1.893 -19.649 166 1HB CYS 22 HB2 CYS 22 7.128 -1.827 -17.321 167 2HB CYS 22 HB3 CYS 22 7.424 -3.185 -18.378 168 H THR 23 H THR 23 4.431 -3.536 -20.549 169 HA THR 23 HA THR 23 3.943 -6.032 -18.964 170 HB THR 23 HB THR 23 2.247 -6.660 -20.666 171 HG1 THR 23 HG1 THR 23 3.142 -4.390 -21.833 172 1HG2 THR 23 1HG2 THR 23 1.973 -4.001 -19.275 173 2HG2 THR 23 2HG2 THR 23 0.615 -5.079 -19.752 174 3HG2 THR 23 3HG2 THR 23 1.726 -5.596 -18.479 175 H VAL 24 H VAL 24 6.310 -5.019 -20.353 176 HA VAL 24 HA VAL 24 7.313 -7.196 -22.019 177 HB VAL 24 HB VAL 24 7.388 -4.987 -22.922 178 1HG1 VAL 24 1HG1 VAL 24 7.012 -3.205 -21.786 179 2HG1 VAL 24 2HG1 VAL 24 7.475 -3.906 -20.250 180 3HG1 VAL 24 3HG1 VAL 24 8.718 -3.225 -21.255 181 1HG2 VAL 24 1HG2 VAL 24 9.643 -6.155 -23.027 182 2HG2 VAL 24 2HG2 VAL 24 9.743 -4.390 -23.099 183 3HG2 VAL 24 3HG2 VAL 24 10.105 -5.208 -21.572 184 H CYS 25 H CYS 25 8.272 -4.991 -19.441 185 HA CYS 25 HA CYS 25 10.266 -6.644 -18.227 186 1HB CYS 25 HB2 CYS 25 8.817 -4.250 -17.040 187 2HB CYS 25 HB3 CYS 25 10.444 -4.790 -16.667 188 H GLU 26 H GLU 26 10.050 -6.950 -15.686 189 HA GLU 26 HA GLU 26 7.688 -8.547 -15.094 190 1HB GLU 26 HB2 GLU 26 10.409 -8.145 -13.927 191 2HB GLU 26 HB3 GLU 26 9.106 -8.476 -12.766 192 1HG GLU 26 HG2 GLU 26 8.424 -10.448 -13.993 193 2HG GLU 26 HG3 GLU 26 9.731 -10.206 -15.176 194 H ASP 27 H ASP 27 6.023 -6.995 -15.116 195 HA ASP 27 HA ASP 27 4.651 -5.345 -14.344 196 1HB ASP 27 HB2 ASP 27 4.355 -7.291 -12.801 197 2HB ASP 27 HB3 ASP 27 5.432 -6.519 -11.666 198 H TYR 28 H TYR 28 7.126 -4.291 -14.893 199 HA TYR 28 HA TYR 28 8.021 -2.408 -12.889 200 1HB TYR 28 HB2 TYR 28 9.394 -3.338 -14.771 201 2HB TYR 28 HB3 TYR 28 8.397 -2.459 -15.907 202 HD1 TYR 28 HD1 TYR 28 11.426 -2.346 -14.043 203 HD2 TYR 28 HD2 TYR 28 8.318 0.135 -15.728 204 HE1 TYR 28 HE1 TYR 28 12.917 -0.403 -13.897 205 HE2 TYR 28 HE2 TYR 28 9.843 2.079 -15.624 206 HH TYR 28 HH TYR 28 13.121 1.887 -14.218 207 H ASP 29 H ASP 29 7.522 -0.186 -12.752 208 HA ASP 29 HA ASP 29 5.029 0.666 -14.164 209 1HB ASP 29 HB2 ASP 29 5.585 1.713 -11.414 210 2HB ASP 29 HB3 ASP 29 4.067 1.367 -12.233 211 H LEU 30 H LEU 30 4.704 3.002 -14.119 212 HA LEU 30 HA LEU 30 6.840 4.679 -13.061 213 1HB LEU 30 HB2 LEU 30 5.947 4.668 -15.979 214 2HB LEU 30 HB3 LEU 30 6.709 6.034 -15.182 215 HG LEU 30 HG LEU 30 7.943 3.276 -15.638 216 1HD1 LEU 30 1HD1 LEU 30 7.803 4.813 -17.615 217 2HD1 LEU 30 2HD1 LEU 30 8.826 5.972 -16.719 218 3HD1 LEU 30 3HD1 LEU 30 9.477 4.387 -17.130 219 1HD2 LEU 30 1HD2 LEU 30 9.222 5.761 -14.387 220 2HD2 LEU 30 2HD2 LEU 30 8.864 4.276 -13.507 221 3HD2 LEU 30 3HD2 LEU 30 10.086 4.257 -14.747 222 H CYS 31 H CYS 31 5.871 6.453 -12.045 223 HA CYS 31 HA CYS 31 3.062 6.996 -12.352 224 1HB CYS 31 HB2 CYS 31 3.535 9.002 -11.088 225 2HB CYS 31 HB3 CYS 31 4.347 7.686 -10.308 226 H ILE 32 H ILE 32 2.387 9.192 -13.119 227 HA ILE 32 HA ILE 32 2.843 9.349 -15.859 228 HB ILE 32 HB ILE 32 1.889 11.646 -14.075 229 1HG1 ILE 32 2HG1 ILE 32 0.495 9.746 -13.454 230 2HG1 ILE 32 3HG1 ILE 32 -0.438 10.882 -14.427 231 1HG2 ILE 32 1HG2 ILE 32 2.322 12.404 -16.272 232 2HG2 ILE 32 2HG2 ILE 32 1.562 10.977 -17.018 233 3HG2 ILE 32 3HG2 ILE 32 0.570 12.200 -16.181 234 1HD1 ILE 32 1HD1 ILE 32 0.613 8.165 -15.200 235 2HD1 ILE 32 2HD1 ILE 32 -1.046 8.742 -15.153 236 3HD1 ILE 32 3HD1 ILE 32 -0.015 9.364 -16.413 237 H ASN 33 H ASN 33 4.331 11.326 -13.312 238 HA ASN 33 HA ASN 33 5.764 13.035 -15.153 239 1HB ASN 33 HB2 ASN 33 5.546 13.848 -12.851 240 2HB ASN 33 HB3 ASN 33 6.097 12.322 -12.180 241 1HD2 ASN 33 2HD2 ASN 33 8.362 11.805 -12.105 242 2HD2 ASN 33 1HD2 ASN 33 9.541 13.079 -12.278 243 H CYS 34 H CYS 34 6.731 10.047 -13.474 244 HA CYS 34 HA CYS 34 9.403 10.130 -14.539 245 1HB CYS 34 HB2 CYS 34 7.732 8.007 -13.139 246 2HB CYS 34 HB3 CYS 34 9.325 7.679 -13.858 247 H TYR 35 H TYR 35 6.386 8.537 -15.628 248 HA TYR 35 HA TYR 35 7.543 7.182 -17.864 249 1HB TYR 35 HB2 TYR 35 5.276 6.749 -17.216 250 2HB TYR 35 HB3 TYR 35 4.790 8.413 -17.488 251 HD1 TYR 35 HD1 TYR 35 6.172 5.402 -19.233 252 HD2 TYR 35 HD2 TYR 35 3.981 9.089 -19.616 253 HE1 TYR 35 HE1 TYR 35 5.637 4.821 -21.579 254 HE2 TYR 35 HE2 TYR 35 3.483 8.543 -21.990 255 HH TYR 35 HH TYR 35 3.729 6.975 -23.710 256 H ASN 36 H ASN 36 6.173 10.450 -17.530 257 HA ASN 36 HA ASN 36 6.718 11.456 -20.089 258 1HB ASN 36 HB2 ASN 36 6.138 12.657 -17.362 259 2HB ASN 36 HB3 ASN 36 6.504 13.720 -18.673 260 1HD2 ASN 36 2HD2 ASN 36 4.108 14.188 -17.718 261 2HD2 ASN 36 1HD2 ASN 36 2.866 13.474 -18.735 262 H THR 37 H THR 37 9.050 10.862 -17.562 263 HA THR 37 HA THR 37 11.003 12.611 -19.047 264 HB THR 37 HB THR 37 12.130 13.023 -16.897 265 HG1 THR 37 HG1 THR 37 9.706 12.251 -15.719 266 1HG2 THR 37 1HG2 THR 37 10.610 14.798 -16.125 267 2HG2 THR 37 2HG2 THR 37 10.634 14.736 -17.897 268 3HG2 THR 37 3HG2 THR 37 9.263 14.070 -17.011 269 H LYS 38 H LYS 38 10.401 9.378 -17.977 270 HA LYS 38 HA LYS 38 13.219 8.807 -18.492 271 1HB LYS 38 HB2 LYS 38 11.245 7.217 -16.856 272 2HB LYS 38 HB3 LYS 38 12.799 6.601 -17.378 273 1HG LYS 38 HG2 LYS 38 13.408 7.485 -15.321 274 2HG LYS 38 HG3 LYS 38 13.803 8.805 -16.465 275 1HD LYS 38 HD2 LYS 38 12.008 10.040 -15.934 276 2HD LYS 38 HD3 LYS 38 11.191 8.747 -14.995 277 1HE LYS 38 HE2 LYS 38 13.797 9.962 -14.080 278 2HE LYS 38 HE3 LYS 38 12.242 10.772 -13.759 279 1HZ LYS 38 HZ1 LYS 38 12.777 9.405 -11.894 280 2HZ LYS 38 HZ2 LYS 38 11.531 8.699 -12.628 281 3HZ LYS 38 HZ3 LYS 38 13.070 8.119 -12.813 282 H SER 39 H SER 39 10.465 9.027 -20.150 283 HA SER 39 HA SER 39 9.428 8.019 -21.874 284 1HB SER 39 HB2 SER 39 12.278 8.398 -22.848 285 2HB SER 39 HB3 SER 39 10.809 8.516 -23.837 286 HG SER 39 HG SER 39 10.150 10.278 -22.434 287 H HIS 40 H HIS 40 9.515 5.859 -20.450 288 HA HIS 40 HA HIS 40 11.041 3.664 -21.458 289 1HB HIS 40 HB2 HIS 40 9.218 4.208 -19.334 290 2HB HIS 40 HB3 HIS 40 8.418 3.017 -20.319 291 HD1 HIS 40 HD1 HIS 40 11.475 3.291 -18.003 292 HD2 HIS 40 HD2 HIS 40 9.407 0.607 -20.463 293 HE1 HIS 40 HE1 HIS 40 12.283 0.961 -17.341 294 H THR 41 H THR 41 10.827 2.877 -23.463 295 HA THR 41 HA THR 41 8.538 3.725 -25.001 296 HB THR 41 HB THR 41 10.796 2.255 -26.264 297 HG1 THR 41 HG1 THR 41 11.241 4.662 -24.845 298 1HG2 THR 41 1HG2 THR 41 10.805 4.201 -27.788 299 2HG2 THR 41 2HG2 THR 41 9.178 3.516 -27.605 300 3HG2 THR 41 3HG2 THR 41 9.602 5.015 -26.752 301 H HIS 42 H HIS 42 8.945 0.875 -23.227 302 HA HIS 42 HA HIS 42 8.495 -1.034 -25.354 303 1HB HIS 42 HB2 HIS 42 8.099 -1.310 -22.382 304 2HB HIS 42 HB3 HIS 42 8.417 -2.599 -23.566 305 HD2 HIS 42 HD2 HIS 42 11.064 -1.185 -24.940 306 HE1 HIS 42 HE1 HIS 42 12.600 -1.115 -20.943 307 HE2 HIS 42 HE2 HIS 42 13.206 -0.945 -23.408 308 H LYS 43 H LYS 43 6.596 -2.661 -25.082 309 HA LYS 43 HA LYS 43 4.185 -1.126 -25.253 310 1HB LYS 43 HB2 LYS 43 4.625 -3.239 -26.600 311 2HB LYS 43 HB3 LYS 43 4.282 -4.145 -25.121 312 1HG LYS 43 HG2 LYS 43 2.148 -2.298 -25.234 313 2HG LYS 43 HG3 LYS 43 2.487 -2.546 -26.940 314 1HD LYS 43 HD2 LYS 43 0.739 -4.039 -26.393 315 2HD LYS 43 HD3 LYS 43 2.202 -5.035 -26.515 316 1HE LYS 43 HE2 LYS 43 0.976 -5.773 -24.590 317 2HE LYS 43 HE3 LYS 43 2.459 -4.971 -24.058 318 1HZ LYS 43 HZ1 LYS 43 -0.300 -3.883 -23.907 319 2HZ LYS 43 HZ2 LYS 43 0.737 -4.246 -22.694 320 3HZ LYS 43 HZ3 LYS 43 1.026 -2.972 -23.631 321 H MET 44 H MET 44 3.839 -0.143 -23.380 322 HA MET 44 HA MET 44 3.397 -1.578 -20.845 323 1HB MET 44 HB2 MET 44 3.380 1.310 -21.825 324 2HB MET 44 HB3 MET 44 2.791 0.890 -20.208 325 1HG MET 44 HG2 MET 44 4.740 0.140 -19.443 326 2HG MET 44 HG3 MET 44 5.498 -0.099 -21.024 327 1HE MET 44 HE1 MET 44 6.176 1.182 -18.014 328 2HE MET 44 HE2 MET 44 6.290 2.967 -17.966 329 3HE MET 44 HE3 MET 44 4.712 2.177 -17.948 330 H VAL 45 H VAL 45 1.365 -0.554 -19.740 331 HA VAL 45 HA VAL 45 -1.116 -0.430 -21.219 332 HB VAL 45 HB VAL 45 -2.089 -1.600 -19.230 333 1HG1 VAL 45 1HG1 VAL 45 -1.784 -3.867 -20.112 334 2HG1 VAL 45 2HG1 VAL 45 -1.850 -2.740 -21.469 335 3HG1 VAL 45 3HG1 VAL 45 -0.263 -3.379 -20.913 336 1HG2 VAL 45 1HG2 VAL 45 0.735 -2.520 -18.723 337 2HG2 VAL 45 2HG2 VAL 45 -0.315 -1.510 -17.707 338 3HG2 VAL 45 3HG2 VAL 45 -0.669 -3.244 -17.973 339 H LYS 46 H LYS 46 -2.629 0.626 -19.223 340 HA LYS 46 HA LYS 46 -1.033 2.283 -17.406 341 1HB LYS 46 HB2 LYS 46 -1.268 3.572 -19.565 342 2HB LYS 46 HB3 LYS 46 -3.032 3.521 -19.356 343 1HG LYS 46 HG2 LYS 46 -1.117 4.806 -17.352 344 2HG LYS 46 HG3 LYS 46 -1.756 5.633 -18.776 345 1HD LYS 46 HD2 LYS 46 -4.105 5.276 -17.860 346 2HD LYS 46 HD3 LYS 46 -3.350 4.709 -16.364 347 1HE LYS 46 HE2 LYS 46 -3.745 6.998 -16.024 348 2HE LYS 46 HE3 LYS 46 -2.004 6.852 -16.280 349 1HZ LYS 46 HZ1 LYS 46 -2.452 7.599 -18.610 350 2HZ LYS 46 HZ2 LYS 46 -4.045 7.798 -18.174 351 3HZ LYS 46 HZ3 LYS 46 -2.960 8.678 -17.456 352 H TRP 47 H TRP 47 -2.232 2.607 -15.563 353 HA TRP 47 HA TRP 47 -5.048 1.669 -15.508 354 1HB TRP 47 HB2 TRP 47 -2.947 1.021 -13.392 355 2HB TRP 47 HB3 TRP 47 -4.595 0.412 -13.469 356 HD1 TRP 47 HD1 TRP 47 -1.140 -0.323 -14.483 357 HE1 TRP 47 HE1 TRP 47 -0.962 -2.425 -15.937 358 HE3 TRP 47 HE3 TRP 47 -6.015 -0.680 -15.896 359 HZ2 TRP 47 HZ2 TRP 47 -2.679 -3.857 -17.785 360 HZ3 TRP 47 HZ3 TRP 47 -6.647 -2.277 -17.725 361 HH2 TRP 47 HH2 TRP 47 -5.008 -3.877 -18.612 362 H GLY 48 H GLY 48 -6.269 3.298 -14.407 363 1HA GLY 48 HA2 GLY 48 -4.738 5.319 -12.934 364 2HA GLY 48 HA3 GLY 48 -5.665 5.803 -14.398 365 H LEU 49 H LEU 49 -5.920 6.403 -11.512 366 HA LEU 49 HA LEU 49 -8.760 5.768 -11.246 367 1HB LEU 49 HB2 LEU 49 -6.756 4.301 -9.887 368 2HB LEU 49 HB3 LEU 49 -7.405 5.351 -8.660 369 HG LEU 49 HG LEU 49 -8.470 3.211 -8.726 370 1HD1 LEU 49 1HD1 LEU 49 -10.794 3.842 -8.650 371 2HD1 LEU 49 2HD1 LEU 49 -9.800 5.154 -7.996 372 3HD1 LEU 49 3HD1 LEU 49 -10.491 5.300 -9.634 373 1HD2 LEU 49 1HD2 LEU 49 -9.678 3.751 -11.430 374 2HD2 LEU 49 2HD2 LEU 49 -8.268 2.692 -11.124 375 3HD2 LEU 49 3HD2 LEU 49 -9.839 2.295 -10.420 376 H GLY 50 H GLY 50 -6.353 8.193 -11.009 377 1HA GLY 50 HA2 GLY 50 -8.346 9.918 -9.671 378 2HA GLY 50 HA3 GLY 50 -6.771 9.683 -8.864 379 H LEU 51 H LEU 51 -5.088 9.701 -11.163 380 HA LEU 51 HA LEU 51 -5.487 12.416 -12.322 381 1HB LEU 51 HB2 LEU 51 -3.025 11.242 -10.959 382 2HB LEU 51 HB3 LEU 51 -3.010 12.747 -11.877 383 HG LEU 51 HG LEU 51 -4.678 12.282 -9.340 384 1HD1 LEU 51 1HD1 LEU 51 -2.995 13.627 -8.154 385 2HD1 LEU 51 2HD1 LEU 51 -2.313 12.138 -8.826 386 3HD1 LEU 51 3HD1 LEU 51 -1.998 13.683 -9.641 387 1HD2 LEU 51 1HD2 LEU 51 -5.587 14.081 -10.774 388 2HD2 LEU 51 2HD2 LEU 51 -4.871 14.781 -9.330 389 3HD2 LEU 51 3HD2 LEU 51 -3.975 14.833 -10.862 390 H ASP 52 H ASP 52 -6.311 10.679 -13.962 391 HA ASP 52 HA ASP 52 -4.434 8.917 -15.186 392 1HB ASP 52 HB2 ASP 52 -6.993 8.766 -15.243 393 2HB ASP 52 HB3 ASP 52 -6.946 9.945 -16.550 Start of MODEL 12 1 1H GLY 1 H1 GLY 1 4.390 -2.080 -9.870 2 2H GLY 1 H2 GLY 1 5.562 -3.187 -9.547 3 3H GLY 1 H3 GLY 1 4.193 -3.625 -10.344 4 1HA GLY 1 HA2 GLY 1 4.038 -4.422 -8.116 5 2HA GLY 1 HA3 GLY 1 4.292 -2.752 -7.547 6 H GLN 2 H GLN 2 1.883 -4.606 -7.145 7 HA GLN 2 HA GLN 2 -0.106 -2.631 -7.933 8 1HB GLN 2 HB2 GLN 2 -1.442 -4.076 -9.221 9 2HB GLN 2 HB3 GLN 2 0.158 -4.277 -9.876 10 1HG GLN 2 HG2 GLN 2 -1.429 -6.211 -8.169 11 2HG GLN 2 HG3 GLN 2 -0.910 -6.387 -9.851 12 1HE2 GLN 2 2HE2 GLN 2 1.937 -6.022 -9.775 13 2HE2 GLN 2 1HE2 GLN 2 2.537 -7.200 -8.642 14 H ASP 3 H ASP 3 -2.269 -3.045 -7.090 15 HA ASP 3 HA ASP 3 -2.638 -4.708 -4.721 16 1HB ASP 3 HB2 ASP 3 -1.375 -2.568 -4.049 17 2HB ASP 3 HB3 ASP 3 -2.855 -1.700 -4.517 18 H ARG 4 H ARG 4 -5.018 -3.177 -3.897 19 HA ARG 4 HA ARG 4 -6.907 -4.079 -5.875 20 1HB ARG 4 HB2 ARG 4 -7.262 -2.252 -3.460 21 2HB ARG 4 HB3 ARG 4 -8.558 -2.985 -4.390 22 1HG ARG 4 HG2 ARG 4 -8.592 -4.614 -2.913 23 2HG ARG 4 HG3 ARG 4 -7.162 -5.246 -3.703 24 1HD ARG 4 HD2 ARG 4 -6.731 -3.204 -1.521 25 2HD ARG 4 HD3 ARG 4 -7.407 -4.757 -1.009 26 HE ARG 4 HE ARG 4 -4.738 -4.126 -1.860 27 1HH1 ARG 4 1HH2 ARG 4 -6.954 -6.837 -1.356 28 2HH1 ARG 4 2HH2 ARG 4 -5.675 -8.025 -1.388 29 1HH2 ARG 4 2HH1 ARG 4 -3.161 -5.599 -1.884 30 2HH2 ARG 4 1HH1 ARG 4 -3.398 -7.301 -1.826 31 H PHE 5 H PHE 5 -5.750 -0.848 -4.859 32 HA PHE 5 HA PHE 5 -6.416 0.291 -7.489 33 1HB PHE 5 HB2 PHE 5 -7.584 2.264 -6.329 34 2HB PHE 5 HB3 PHE 5 -8.490 0.779 -6.437 35 HD1 PHE 5 HD1 PHE 5 -6.444 2.787 -4.079 36 HD2 PHE 5 HD2 PHE 5 -9.347 -0.340 -4.551 37 HE1 PHE 5 HE1 PHE 5 -6.715 2.690 -1.611 38 HE2 PHE 5 HE2 PHE 5 -9.637 -0.443 -2.087 39 HZ PHE 5 HZ PHE 5 -8.296 1.059 -0.603 40 H VAL 6 H VAL 6 -4.056 -0.426 -5.778 41 HA VAL 6 HA VAL 6 -2.652 2.170 -5.787 42 HB VAL 6 HB VAL 6 -3.221 0.307 -3.496 43 1HG1 VAL 6 1HG1 VAL 6 -1.219 0.809 -2.298 44 2HG1 VAL 6 2HG1 VAL 6 -0.832 -0.136 -3.733 45 3HG1 VAL 6 3HG1 VAL 6 -0.483 1.610 -3.704 46 1HG2 VAL 6 1HG2 VAL 6 -2.561 3.269 -3.780 47 2HG2 VAL 6 2HG2 VAL 6 -4.163 2.534 -3.592 48 3HG2 VAL 6 3HG2 VAL 6 -3.006 2.426 -2.250 49 H TYR 7 H TYR 7 -0.502 1.934 -6.309 50 HA TYR 7 HA TYR 7 0.618 -0.621 -7.200 51 1HB TYR 7 HB2 TYR 7 0.171 1.803 -8.985 52 2HB TYR 7 HB3 TYR 7 0.814 0.211 -9.462 53 HD1 TYR 7 HD1 TYR 7 -0.718 -1.723 -9.739 54 HD2 TYR 7 HD2 TYR 7 -2.216 2.215 -8.809 55 HE1 TYR 7 HE1 TYR 7 -3.066 -2.546 -10.006 56 HE2 TYR 7 HE2 TYR 7 -4.498 1.404 -8.970 57 HH TYR 7 HH TYR 7 -5.304 -2.013 -9.576 58 H THR 8 H THR 8 2.728 0.663 -8.569 59 HA THR 8 HA THR 8 3.796 2.709 -6.698 60 HB THR 8 HB THR 8 6.018 1.305 -7.315 61 HG1 THR 8 HG1 THR 8 5.160 -0.269 -8.525 62 1HG2 THR 8 1HG2 THR 8 4.048 0.548 -5.116 63 2HG2 THR 8 2HG2 THR 8 5.716 -0.093 -5.275 64 3HG2 THR 8 3HG2 THR 8 5.445 1.622 -5.009 65 H CYS 9 H CYS 9 5.797 3.743 -7.686 66 HA CYS 9 HA CYS 9 5.785 3.833 -10.674 67 1HB CYS 9 HB2 CYS 9 5.555 6.186 -9.755 68 2HB CYS 9 HB3 CYS 9 6.873 5.866 -8.628 69 H ASN 10 H ASN 10 7.284 2.185 -11.047 70 HA ASN 10 HA ASN 10 9.097 1.393 -9.026 71 1HB ASN 10 HB2 ASN 10 8.159 -0.039 -10.894 72 2HB ASN 10 HB3 ASN 10 9.415 0.683 -11.940 73 1HD2 ASN 10 2HD2 ASN 10 10.889 -0.954 -12.137 74 2HD2 ASN 10 1HD2 ASN 10 11.578 -1.849 -10.771 75 H GLU 11 H GLU 11 9.177 4.257 -10.681 76 HA GLU 11 HA GLU 11 12.098 4.243 -10.637 77 1HB GLU 11 HB2 GLU 11 10.236 5.710 -12.282 78 2HB GLU 11 HB3 GLU 11 11.301 6.822 -11.422 79 1HG GLU 11 HG2 GLU 11 12.347 4.409 -12.942 80 2HG GLU 11 HG3 GLU 11 12.312 6.027 -13.595 81 H CYS 12 H CYS 12 9.285 5.404 -8.934 82 HA CYS 12 HA CYS 12 10.969 7.164 -7.219 83 1HB CYS 12 HB2 CYS 12 7.988 6.618 -7.036 84 2HB CYS 12 HB3 CYS 12 8.895 7.890 -6.197 85 H LYS 13 H LYS 13 9.480 4.070 -7.393 86 HA LYS 13 HA LYS 13 9.117 2.291 -6.035 87 1HB LYS 13 HB2 LYS 13 11.860 3.128 -5.047 88 2HB LYS 13 HB3 LYS 13 10.984 1.763 -4.352 89 1HG LYS 13 HG2 LYS 13 11.737 0.456 -5.985 90 2HG LYS 13 HG3 LYS 13 10.663 1.293 -7.081 91 1HD LYS 13 HD2 LYS 13 13.635 1.616 -6.711 92 2HD LYS 13 HD3 LYS 13 12.660 1.226 -8.140 93 1HE LYS 13 HE2 LYS 13 11.730 3.574 -8.049 94 2HE LYS 13 HE3 LYS 13 12.947 3.969 -6.846 95 1HZ LYS 13 HZ1 LYS 13 13.630 4.540 -9.072 96 2HZ LYS 13 HZ2 LYS 13 14.637 3.374 -8.553 97 3HZ LYS 13 HZ3 LYS 13 13.390 3.058 -9.613 98 H HIS 14 H HIS 14 7.756 4.485 -5.634 99 HA HIS 14 HA HIS 14 6.876 4.129 -2.870 100 1HB HIS 14 HB2 HIS 14 7.945 6.346 -2.941 101 2HB HIS 14 HB3 HIS 14 6.975 6.787 -4.366 102 HD2 HIS 14 HD2 HIS 14 4.738 7.942 -3.882 103 HE1 HIS 14 HE1 HIS 14 3.769 6.203 -0.121 104 HE2 HIS 14 HE2 HIS 14 2.950 7.732 -2.002 105 H HIS 15 H HIS 15 4.539 4.746 -2.787 106 HA HIS 15 HA HIS 15 3.134 3.214 -4.753 107 1HB HIS 15 HB2 HIS 15 1.819 2.867 -3.024 108 2HB HIS 15 HB3 HIS 15 2.659 4.064 -2.055 109 HD2 HIS 15 HD2 HIS 15 -0.355 3.740 -4.429 110 HE1 HIS 15 HE1 HIS 15 -0.757 7.510 -2.490 111 HE2 HIS 15 HE2 HIS 15 -1.863 5.887 -4.115 112 H VAL 16 H VAL 16 1.424 3.818 -6.079 113 HA VAL 16 HA VAL 16 0.707 6.589 -6.451 114 HB VAL 16 HB VAL 16 1.204 6.738 -8.808 115 1HG1 VAL 16 1HG1 VAL 16 3.140 7.349 -7.492 116 2HG1 VAL 16 2HG1 VAL 16 3.718 5.649 -7.478 117 3HG1 VAL 16 3HG1 VAL 16 3.600 6.505 -9.002 118 1HG2 VAL 16 1HG2 VAL 16 2.045 3.828 -8.604 119 2HG2 VAL 16 2HG2 VAL 16 0.693 4.486 -9.528 120 3HG2 VAL 16 3HG2 VAL 16 2.339 4.864 -10.038 121 H GLU 17 H GLU 17 -1.398 6.700 -7.659 122 HA GLU 17 HA GLU 17 -2.899 4.164 -7.419 123 1HB GLU 17 HB2 GLU 17 -4.730 5.399 -6.917 124 2HB GLU 17 HB3 GLU 17 -3.455 6.297 -6.132 125 1HG GLU 17 HG2 GLU 17 -4.984 6.987 -8.677 126 2HG GLU 17 HG3 GLU 17 -5.014 7.868 -7.167 127 H THR 18 H THR 18 -1.703 6.483 -9.694 128 HA THR 18 HA THR 18 -3.068 5.092 -11.926 129 HB THR 18 HB THR 18 -2.419 8.066 -11.624 130 HG1 THR 18 HG1 THR 18 -4.114 7.992 -10.675 131 1HG2 THR 18 1HG2 THR 18 -2.593 6.698 -14.090 132 2HG2 THR 18 2HG2 THR 18 -4.268 7.250 -13.805 133 3HG2 THR 18 3HG2 THR 18 -2.991 8.416 -13.843 134 H ARG 19 H ARG 19 -1.572 4.391 -13.486 135 HA ARG 19 HA ARG 19 1.212 5.414 -13.429 136 1HB ARG 19 HB2 ARG 19 2.255 3.394 -12.855 137 2HB ARG 19 HB3 ARG 19 1.005 3.658 -11.641 138 1HG ARG 19 HG2 ARG 19 -0.470 2.133 -13.291 139 2HG ARG 19 HG3 ARG 19 1.122 1.600 -13.882 140 1HD ARG 19 HD2 ARG 19 1.069 1.626 -11.012 141 2HD ARG 19 HD3 ARG 19 -0.382 0.781 -11.606 142 HE ARG 19 HE ARG 19 2.456 0.001 -11.865 143 1HH1 ARG 19 1HH1 ARG 19 -0.910 -1.111 -12.208 144 2HH1 ARG 19 2HH1 ARG 19 -0.399 -2.686 -12.717 145 1HH2 ARG 19 1HH2 ARG 19 3.006 -2.026 -12.229 146 2HH2 ARG 19 2HH2 ARG 19 1.934 -3.271 -12.663 147 H TRP 20 H TRP 20 2.555 4.319 -14.975 148 HA TRP 20 HA TRP 20 1.264 3.221 -17.425 149 1HB TRP 20 HB2 TRP 20 3.921 4.598 -16.936 150 2HB TRP 20 HB3 TRP 20 3.346 3.970 -18.497 151 HD1 TRP 20 HD1 TRP 20 2.685 6.802 -15.972 152 HE1 TRP 20 HE1 TRP 20 1.015 8.458 -16.885 153 HE3 TRP 20 HE3 TRP 20 1.703 4.533 -20.417 154 HZ2 TRP 20 HZ2 TRP 20 -0.690 8.754 -19.225 155 HZ3 TRP 20 HZ3 TRP 20 0.065 5.574 -22.019 156 HH2 TRP 20 HH2 TRP 20 -1.146 7.636 -21.409 157 H HIS 21 H HIS 21 1.870 1.043 -17.739 158 HA HIS 21 HA HIS 21 3.748 -0.147 -15.752 159 1HB HIS 21 HB2 HIS 21 1.770 -0.546 -14.705 160 2HB HIS 21 HB3 HIS 21 0.837 -0.621 -16.185 161 HD2 HIS 21 HD2 HIS 21 3.794 -3.082 -16.026 162 HE1 HIS 21 HE1 HIS 21 0.328 -5.327 -15.082 163 HE2 HIS 21 HE2 HIS 21 2.811 -5.444 -15.660 164 H CYS 22 H CYS 22 5.238 -1.245 -16.779 165 HA CYS 22 HA CYS 22 5.216 -1.873 -19.596 166 1HB CYS 22 HB2 CYS 22 7.041 -1.777 -17.279 167 2HB CYS 22 HB3 CYS 22 7.351 -3.128 -18.345 168 H THR 23 H THR 23 4.397 -3.534 -20.497 169 HA THR 23 HA THR 23 3.930 -6.006 -18.902 170 HB THR 23 HB THR 23 2.248 -6.695 -20.594 171 HG1 THR 23 HG1 THR 23 3.123 -4.427 -21.815 172 1HG2 THR 23 1HG2 THR 23 1.920 -4.017 -19.274 173 2HG2 THR 23 2HG2 THR 23 0.572 -5.137 -19.664 174 3HG2 THR 23 3HG2 THR 23 1.753 -5.556 -18.425 175 H VAL 24 H VAL 24 6.288 -4.926 -20.384 176 HA VAL 24 HA VAL 24 7.367 -7.152 -21.948 177 HB VAL 24 HB VAL 24 7.489 -4.956 -22.883 178 1HG1 VAL 24 1HG1 VAL 24 7.436 -3.834 -20.238 179 2HG1 VAL 24 2HG1 VAL 24 8.682 -3.129 -21.214 180 3HG1 VAL 24 3HG1 VAL 24 6.998 -3.184 -21.803 181 1HG2 VAL 24 1HG2 VAL 24 9.736 -6.097 -22.910 182 2HG2 VAL 24 2HG2 VAL 24 9.847 -4.325 -22.923 183 3HG2 VAL 24 3HG2 VAL 24 10.121 -5.196 -21.404 184 H CYS 25 H CYS 25 8.163 -4.898 -19.368 185 HA CYS 25 HA CYS 25 10.122 -6.499 -18.001 186 1HB CYS 25 HB2 CYS 25 8.633 -4.040 -17.024 187 2HB CYS 25 HB3 CYS 25 10.214 -4.568 -16.489 188 H GLU 26 H GLU 26 9.923 -6.660 -15.647 189 HA GLU 26 HA GLU 26 7.863 -8.450 -14.948 190 1HB GLU 26 HB2 GLU 26 10.490 -8.173 -14.354 191 2HB GLU 26 HB3 GLU 26 9.828 -7.413 -12.912 192 1HG GLU 26 HG2 GLU 26 8.290 -9.535 -12.842 193 2HG GLU 26 HG3 GLU 26 9.393 -10.177 -14.079 194 H ASP 27 H ASP 27 6.104 -6.709 -15.316 195 HA ASP 27 HA ASP 27 4.497 -5.296 -14.570 196 1HB ASP 27 HB2 ASP 27 3.970 -7.160 -13.074 197 2HB ASP 27 HB3 ASP 27 5.132 -6.550 -11.884 198 H TYR 28 H TYR 28 7.084 -4.322 -14.847 199 HA TYR 28 HA TYR 28 7.885 -2.446 -12.864 200 1HB TYR 28 HB2 TYR 28 9.325 -3.294 -14.746 201 2HB TYR 28 HB3 TYR 28 8.334 -2.391 -15.881 202 HD1 TYR 28 HD1 TYR 28 11.270 -2.341 -13.905 203 HD2 TYR 28 HD2 TYR 28 8.265 0.183 -15.684 204 HE1 TYR 28 HE1 TYR 28 12.707 -0.325 -13.496 205 HE2 TYR 28 HE2 TYR 28 9.645 2.158 -15.259 206 HH TYR 28 HH TYR 28 11.491 2.973 -14.000 207 H ASP 29 H ASP 29 7.440 -0.220 -12.683 208 HA ASP 29 HA ASP 29 4.998 0.727 -14.136 209 1HB ASP 29 HB2 ASP 29 5.588 1.727 -11.382 210 2HB ASP 29 HB3 ASP 29 4.051 1.415 -12.149 211 H LEU 30 H LEU 30 4.726 3.042 -14.142 212 HA LEU 30 HA LEU 30 6.863 4.695 -13.004 213 1HB LEU 30 HB2 LEU 30 5.962 4.746 -15.931 214 2HB LEU 30 HB3 LEU 30 6.717 6.089 -15.116 215 HG LEU 30 HG LEU 30 7.945 3.340 -15.649 216 1HD1 LEU 30 1HD1 LEU 30 7.811 4.825 -17.576 217 2HD1 LEU 30 2HD1 LEU 30 8.742 6.061 -16.670 218 3HD1 LEU 30 3HD1 LEU 30 9.485 4.493 -17.084 219 1HD2 LEU 30 1HD2 LEU 30 9.162 5.781 -14.270 220 2HD2 LEU 30 2HD2 LEU 30 8.930 4.216 -13.503 221 3HD2 LEU 30 3HD2 LEU 30 10.125 4.375 -14.798 222 H CYS 31 H CYS 31 5.892 6.493 -11.995 223 HA CYS 31 HA CYS 31 3.069 6.986 -12.153 224 1HB CYS 31 HB2 CYS 31 3.603 9.078 -11.047 225 2HB CYS 31 HB3 CYS 31 4.381 7.773 -10.215 226 H ILE 32 H ILE 32 2.356 9.217 -12.953 227 HA ILE 32 HA ILE 32 2.722 9.313 -15.706 228 HB ILE 32 HB ILE 32 1.841 11.668 -13.972 229 1HG1 ILE 32 2HG1 ILE 32 0.484 9.876 -13.142 230 2HG1 ILE 32 3HG1 ILE 32 -0.486 10.874 -14.197 231 1HG2 ILE 32 1HG2 ILE 32 1.358 10.852 -16.857 232 2HG2 ILE 32 2HG2 ILE 32 0.443 12.133 -16.013 233 3HG2 ILE 32 3HG2 ILE 32 2.195 12.298 -16.218 234 1HD1 ILE 32 1HD1 ILE 32 -0.944 8.489 -14.492 235 2HD1 ILE 32 2HD1 ILE 32 -0.332 9.209 -15.982 236 3HD1 ILE 32 3HD1 ILE 32 0.721 8.178 -14.929 237 H ASN 33 H ASN 33 4.324 11.279 -13.216 238 HA ASN 33 HA ASN 33 5.661 13.039 -15.060 239 1HB ASN 33 HB2 ASN 33 5.501 13.842 -12.784 240 2HB ASN 33 HB3 ASN 33 5.976 12.286 -12.103 241 1HD2 ASN 33 2HD2 ASN 33 8.198 11.793 -11.766 242 2HD2 ASN 33 1HD2 ASN 33 9.414 13.028 -12.038 243 H CYS 34 H CYS 34 6.727 10.023 -13.459 244 HA CYS 34 HA CYS 34 9.365 10.180 -14.579 245 1HB CYS 34 HB2 CYS 34 7.787 7.930 -13.308 246 2HB CYS 34 HB3 CYS 34 9.396 7.740 -14.037 247 H TYR 35 H TYR 35 6.321 8.532 -15.628 248 HA TYR 35 HA TYR 35 7.437 7.272 -17.871 249 1HB TYR 35 HB2 TYR 35 5.162 6.874 -17.101 250 2HB TYR 35 HB3 TYR 35 4.658 8.476 -17.566 251 HD1 TYR 35 HD1 TYR 35 6.483 5.545 -19.097 252 HD2 TYR 35 HD2 TYR 35 3.451 8.557 -19.603 253 HE1 TYR 35 HE1 TYR 35 6.072 4.711 -21.388 254 HE2 TYR 35 HE2 TYR 35 3.041 7.728 -21.919 255 HH TYR 35 HH TYR 35 4.921 4.996 -23.296 256 H ASN 36 H ASN 36 6.194 10.581 -17.514 257 HA ASN 36 HA ASN 36 6.543 11.560 -20.108 258 1HB ASN 36 HB2 ASN 36 6.109 12.660 -17.374 259 2HB ASN 36 HB3 ASN 36 6.804 13.807 -18.463 260 1HD2 ASN 36 2HD2 ASN 36 4.000 11.805 -17.879 261 2HD2 ASN 36 1HD2 ASN 36 2.935 12.631 -19.021 262 H THR 37 H THR 37 9.106 10.751 -17.928 263 HA THR 37 HA THR 37 10.958 12.523 -19.518 264 HB THR 37 HB THR 37 12.311 12.656 -17.376 265 HG1 THR 37 HG1 THR 37 9.881 12.090 -16.081 266 1HG2 THR 37 1HG2 THR 37 10.977 14.572 -18.161 267 2HG2 THR 37 2HG2 THR 37 9.546 13.954 -17.330 268 3HG2 THR 37 3HG2 THR 37 10.966 14.484 -16.395 269 H LYS 38 H LYS 38 10.683 9.570 -17.599 270 HA LYS 38 HA LYS 38 13.249 8.517 -18.274 271 1HB LYS 38 HB2 LYS 38 10.803 7.046 -17.262 272 2HB LYS 38 HB3 LYS 38 12.459 6.505 -17.156 273 1HG LYS 38 HG2 LYS 38 11.307 8.987 -15.763 274 2HG LYS 38 HG3 LYS 38 11.420 7.417 -15.022 275 1HD LYS 38 HD2 LYS 38 13.831 7.620 -14.896 276 2HD LYS 38 HD3 LYS 38 13.832 8.994 -16.035 277 1HE LYS 38 HE2 LYS 38 14.117 9.901 -13.834 278 2HE LYS 38 HE3 LYS 38 12.520 10.348 -14.414 279 1HZ LYS 38 HZ1 LYS 38 12.554 9.608 -12.084 280 2HZ LYS 38 HZ2 LYS 38 11.570 8.669 -12.952 281 3HZ LYS 38 HZ3 LYS 38 13.093 8.154 -12.541 282 H SER 39 H SER 39 10.763 9.000 -20.391 283 HA SER 39 HA SER 39 10.012 8.040 -22.294 284 1HB SER 39 HB2 SER 39 13.022 7.941 -22.676 285 2HB SER 39 HB3 SER 39 11.800 8.156 -23.953 286 HG SER 39 HG SER 39 12.432 9.916 -21.831 287 H HIS 40 H HIS 40 9.639 5.969 -20.636 288 HA HIS 40 HA HIS 40 10.982 3.550 -21.413 289 1HB HIS 40 HB2 HIS 40 9.154 4.382 -19.409 290 2HB HIS 40 HB3 HIS 40 8.271 3.188 -20.338 291 HD1 HIS 40 HD1 HIS 40 11.249 3.449 -17.965 292 HD2 HIS 40 HD2 HIS 40 9.289 0.708 -20.457 293 HE1 HIS 40 HE1 HIS 40 11.977 1.125 -17.181 294 H THR 41 H THR 41 10.858 2.847 -23.405 295 HA THR 41 HA THR 41 8.701 3.708 -25.128 296 HB THR 41 HB THR 41 10.904 2.060 -26.229 297 HG1 THR 41 HG1 THR 41 11.618 4.334 -24.711 298 1HG2 THR 41 1HG2 THR 41 11.281 4.059 -27.654 299 2HG2 THR 41 2HG2 THR 41 9.570 3.608 -27.637 300 3HG2 THR 41 3HG2 THR 41 10.132 4.992 -26.660 301 H HIS 42 H HIS 42 8.940 0.964 -23.246 302 HA HIS 42 HA HIS 42 8.491 -1.008 -25.300 303 1HB HIS 42 HB2 HIS 42 8.014 -1.182 -22.333 304 2HB HIS 42 HB3 HIS 42 8.348 -2.497 -23.493 305 HD2 HIS 42 HD2 HIS 42 11.032 -1.225 -24.827 306 HE1 HIS 42 HE1 HIS 42 12.523 -1.179 -20.834 307 HE2 HIS 42 HE2 HIS 42 13.172 -1.082 -23.303 308 H LYS 43 H LYS 43 6.596 -2.597 -25.035 309 HA LYS 43 HA LYS 43 4.182 -1.077 -25.304 310 1HB LYS 43 HB2 LYS 43 4.727 -3.170 -26.636 311 2HB LYS 43 HB3 LYS 43 4.338 -4.113 -25.213 312 1HG LYS 43 HG2 LYS 43 2.142 -2.323 -25.497 313 2HG LYS 43 HG3 LYS 43 2.577 -2.701 -27.145 314 1HD LYS 43 HD2 LYS 43 0.858 -4.215 -26.443 315 2HD LYS 43 HD3 LYS 43 2.362 -5.152 -26.557 316 1HE LYS 43 HE2 LYS 43 1.259 -5.835 -24.519 317 2HE LYS 43 HE3 LYS 43 2.646 -4.850 -24.076 318 1HZ LYS 43 HZ1 LYS 43 0.913 -4.203 -22.766 319 2HZ LYS 43 HZ2 LYS 43 1.085 -2.967 -23.754 320 3HZ LYS 43 HZ3 LYS 43 -0.178 -3.998 -24.000 321 H MET 44 H MET 44 3.845 -0.107 -23.382 322 HA MET 44 HA MET 44 3.425 -1.604 -20.889 323 1HB MET 44 HB2 MET 44 3.358 1.312 -21.851 324 2HB MET 44 HB3 MET 44 2.751 0.907 -20.242 325 1HG MET 44 HG2 MET 44 4.743 0.134 -19.465 326 2HG MET 44 HG3 MET 44 5.456 -0.122 -21.036 327 1HE MET 44 HE1 MET 44 6.154 1.190 -18.037 328 2HE MET 44 HE2 MET 44 6.384 2.942 -18.029 329 3HE MET 44 HE3 MET 44 4.748 2.234 -17.964 330 H VAL 45 H VAL 45 1.369 -0.547 -19.718 331 HA VAL 45 HA VAL 45 -1.104 -0.413 -21.229 332 HB VAL 45 HB VAL 45 -2.088 -1.607 -19.275 333 1HG1 VAL 45 1HG1 VAL 45 -1.859 -3.830 -20.212 334 2HG1 VAL 45 2HG1 VAL 45 -1.742 -2.696 -21.556 335 3HG1 VAL 45 3HG1 VAL 45 -0.259 -3.441 -20.918 336 1HG2 VAL 45 1HG2 VAL 45 -0.321 -1.558 -17.685 337 2HG2 VAL 45 2HG2 VAL 45 -0.743 -3.270 -18.015 338 3HG2 VAL 45 3HG2 VAL 45 0.709 -2.558 -18.698 339 H LYS 46 H LYS 46 -2.637 0.665 -19.279 340 HA LYS 46 HA LYS 46 -1.054 2.341 -17.499 341 1HB LYS 46 HB2 LYS 46 -1.209 3.660 -19.588 342 2HB LYS 46 HB3 LYS 46 -2.957 3.511 -19.624 343 1HG LYS 46 HG2 LYS 46 -1.454 4.891 -17.330 344 2HG LYS 46 HG3 LYS 46 -1.843 5.677 -18.843 345 1HD LYS 46 HD2 LYS 46 -4.329 5.179 -18.328 346 2HD LYS 46 HD3 LYS 46 -3.782 4.899 -16.651 347 1HE LYS 46 HE2 LYS 46 -3.036 7.093 -16.385 348 2HE LYS 46 HE3 LYS 46 -2.753 7.337 -18.089 349 1HZ LYS 46 HZ1 LYS 46 -4.600 8.553 -17.222 350 2HZ LYS 46 HZ2 LYS 46 -5.146 7.598 -18.422 351 3HZ LYS 46 HZ3 LYS 46 -5.437 7.301 -16.836 352 H TRP 47 H TRP 47 -2.214 2.647 -15.664 353 HA TRP 47 HA TRP 47 -5.074 1.781 -15.647 354 1HB TRP 47 HB2 TRP 47 -3.017 1.065 -13.502 355 2HB TRP 47 HB3 TRP 47 -4.673 0.527 -13.614 356 HD1 TRP 47 HD1 TRP 47 -1.274 -0.494 -14.450 357 HE1 TRP 47 HE1 TRP 47 -1.183 -2.502 -15.977 358 HE3 TRP 47 HE3 TRP 47 -6.111 -0.402 -16.216 359 HZ2 TRP 47 HZ2 TRP 47 -2.885 -3.825 -17.891 360 HZ3 TRP 47 HZ3 TRP 47 -6.745 -1.962 -18.049 361 HH2 TRP 47 HH2 TRP 47 -5.185 -3.695 -18.845 362 H GLY 48 H GLY 48 -6.289 3.399 -14.657 363 1HA GLY 48 HA2 GLY 48 -4.833 5.368 -13.038 364 2HA GLY 48 HA3 GLY 48 -5.766 5.883 -14.476 365 H LEU 49 H LEU 49 -5.879 6.240 -11.519 366 HA LEU 49 HA LEU 49 -8.745 5.720 -11.114 367 1HB LEU 49 HB2 LEU 49 -6.606 4.627 -9.231 368 2HB LEU 49 HB3 LEU 49 -8.285 4.747 -8.780 369 HG LEU 49 HG LEU 49 -7.209 3.103 -11.100 370 1HD1 LEU 49 1HD1 LEU 49 -6.643 2.316 -8.833 371 2HD1 LEU 49 2HD1 LEU 49 -8.374 2.224 -8.473 372 3HD1 LEU 49 3HD1 LEU 49 -7.679 1.204 -9.774 373 1HD2 LEU 49 1HD2 LEU 49 -9.610 3.792 -11.528 374 2HD2 LEU 49 2HD2 LEU 49 -9.440 2.081 -11.166 375 3HD2 LEU 49 3HD2 LEU 49 -10.028 3.206 -9.902 376 H GLY 50 H GLY 50 -6.472 8.103 -11.099 377 1HA GLY 50 HA2 GLY 50 -8.144 9.749 -9.349 378 2HA GLY 50 HA3 GLY 50 -6.562 9.407 -8.674 379 H LEU 51 H LEU 51 -4.636 9.982 -10.037 380 HA LEU 51 HA LEU 51 -5.024 12.609 -11.361 381 1HB LEU 51 HB2 LEU 51 -2.556 11.056 -10.437 382 2HB LEU 51 HB3 LEU 51 -2.488 12.503 -11.392 383 HG LEU 51 HG LEU 51 -3.510 13.840 -9.643 384 1HD1 LEU 51 1HD1 LEU 51 -4.930 12.276 -8.453 385 2HD1 LEU 51 2HD1 LEU 51 -3.510 11.283 -7.991 386 3HD1 LEU 51 3HD1 LEU 51 -3.726 12.919 -7.314 387 1HD2 LEU 51 1HD2 LEU 51 -1.066 13.534 -9.751 388 2HD2 LEU 51 2HD2 LEU 51 -1.600 13.739 -8.082 389 3HD2 LEU 51 3HD2 LEU 51 -1.199 12.114 -8.686 390 H ASP 52 H ASP 52 -6.315 11.077 -12.875 391 HA ASP 52 HA ASP 52 -5.199 9.034 -14.346 392 1HB ASP 52 HB2 ASP 52 -7.624 9.670 -14.267 393 2HB ASP 52 HB3 ASP 52 -7.291 10.900 -15.491 Start of MODEL 13 1 1H GLY 1 H1 GLY 1 4.432 -2.295 -10.123 2 2H GLY 1 H2 GLY 1 5.400 -3.538 -9.698 3 3H GLY 1 H3 GLY 1 3.900 -3.836 -10.315 4 1HA GLY 1 HA2 GLY 1 3.843 -4.199 -7.948 5 2HA GLY 1 HA3 GLY 1 4.443 -2.515 -7.761 6 H GLN 2 H GLN 2 1.591 -4.464 -7.875 7 HA GLN 2 HA GLN 2 -0.036 -2.020 -8.037 8 1HB GLN 2 HB2 GLN 2 -1.524 -2.985 -9.695 9 2HB GLN 2 HB3 GLN 2 0.093 -2.629 -10.274 10 1HG GLN 2 HG2 GLN 2 0.654 -5.010 -10.272 11 2HG GLN 2 HG3 GLN 2 -1.038 -5.392 -9.859 12 1HE2 GLN 2 2HE2 GLN 2 0.900 -5.409 -12.588 13 2HE2 GLN 2 1HE2 GLN 2 -0.268 -4.849 -13.741 14 H ASP 3 H ASP 3 -2.140 -2.201 -7.452 15 HA ASP 3 HA ASP 3 -3.063 -4.367 -5.697 16 1HB ASP 3 HB2 ASP 3 -1.853 -2.373 -4.494 17 2HB ASP 3 HB3 ASP 3 -3.276 -1.411 -4.978 18 H ARG 4 H ARG 4 -5.449 -3.120 -4.994 19 HA ARG 4 HA ARG 4 -7.084 -3.437 -7.319 20 1HB ARG 4 HB2 ARG 4 -7.738 -2.101 -4.676 21 2HB ARG 4 HB3 ARG 4 -8.909 -2.860 -5.765 22 1HG ARG 4 HG2 ARG 4 -8.623 -4.899 -4.866 23 2HG ARG 4 HG3 ARG 4 -6.855 -4.772 -4.786 24 1HD ARG 4 HD2 ARG 4 -7.211 -3.162 -2.810 25 2HD ARG 4 HD3 ARG 4 -8.875 -3.729 -2.772 26 HE ARG 4 HE ARG 4 -8.092 -5.994 -2.314 27 1HH1 ARG 4 1HH2 ARG 4 -5.603 -3.478 -1.996 28 2HH1 ARG 4 2HH2 ARG 4 -4.488 -4.422 -1.351 29 1HH2 ARG 4 1HH1 ARG 4 -6.567 -7.321 -1.156 30 2HH2 ARG 4 2HH1 ARG 4 -5.129 -6.579 -0.510 31 H PHE 5 H PHE 5 -5.846 -0.600 -5.610 32 HA PHE 5 HA PHE 5 -6.477 1.138 -7.858 33 1HB PHE 5 HB2 PHE 5 -7.680 2.792 -6.427 34 2HB PHE 5 HB3 PHE 5 -8.563 1.300 -6.594 35 HD1 PHE 5 HD1 PHE 5 -6.559 3.355 -4.243 36 HD2 PHE 5 HD2 PHE 5 -9.074 -0.097 -4.730 37 HE1 PHE 5 HE1 PHE 5 -6.713 3.130 -1.772 38 HE2 PHE 5 HE2 PHE 5 -9.253 -0.309 -2.245 39 HZ PHE 5 HZ PHE 5 -8.062 1.300 -0.780 40 H VAL 6 H VAL 6 -4.209 0.003 -6.006 41 HA VAL 6 HA VAL 6 -2.773 2.544 -5.655 42 HB VAL 6 HB VAL 6 -3.483 0.484 -3.596 43 1HG1 VAL 6 1HG1 VAL 6 -1.459 0.709 -2.249 44 2HG1 VAL 6 2HG1 VAL 6 -1.090 -0.052 -3.807 45 3HG1 VAL 6 3HG1 VAL 6 -0.674 1.645 -3.546 46 1HG2 VAL 6 1HG2 VAL 6 -3.289 2.464 -2.152 47 2HG2 VAL 6 2HG2 VAL 6 -2.581 3.377 -3.510 48 3HG2 VAL 6 3HG2 VAL 6 -4.260 2.805 -3.594 49 H TYR 7 H TYR 7 -0.561 2.293 -5.942 50 HA TYR 7 HA TYR 7 0.532 -0.116 -7.252 51 1HB TYR 7 HB2 TYR 7 0.173 2.639 -8.529 52 2HB TYR 7 HB3 TYR 7 0.904 1.226 -9.273 53 HD1 TYR 7 HD1 TYR 7 -0.648 -0.711 -9.867 54 HD2 TYR 7 HD2 TYR 7 -2.195 3.009 -8.445 55 HE1 TYR 7 HE1 TYR 7 -2.935 -1.295 -10.797 56 HE2 TYR 7 HE2 TYR 7 -4.465 2.366 -9.126 57 HH TYR 7 HH TYR 7 -5.759 0.828 -10.402 58 H THR 8 H THR 8 2.763 1.000 -8.336 59 HA THR 8 HA THR 8 3.903 2.949 -6.465 60 HB THR 8 HB THR 8 6.085 1.482 -7.096 61 HG1 THR 8 HG1 THR 8 5.068 -0.147 -8.273 62 1HG2 THR 8 1HG2 THR 8 4.143 0.710 -4.880 63 2HG2 THR 8 2HG2 THR 8 5.847 0.167 -5.012 64 3HG2 THR 8 3HG2 THR 8 5.510 1.879 -4.811 65 H CYS 9 H CYS 9 5.620 4.245 -7.565 66 HA CYS 9 HA CYS 9 5.567 3.951 -10.559 67 1HB CYS 9 HB2 CYS 9 5.589 6.339 -9.792 68 2HB CYS 9 HB3 CYS 9 6.953 6.017 -8.747 69 H ASN 10 H ASN 10 7.009 2.263 -11.020 70 HA ASN 10 HA ASN 10 8.727 1.318 -8.969 71 1HB ASN 10 HB2 ASN 10 7.716 -0.136 -10.787 72 2HB ASN 10 HB3 ASN 10 9.003 0.496 -11.864 73 1HD2 ASN 10 2HD2 ASN 10 10.469 -1.148 -11.986 74 2HD2 ASN 10 1HD2 ASN 10 11.151 -2.008 -10.598 75 H GLU 11 H GLU 11 9.021 4.110 -10.712 76 HA GLU 11 HA GLU 11 11.933 3.960 -10.632 77 1HB GLU 11 HB2 GLU 11 10.125 5.507 -12.352 78 2HB GLU 11 HB3 GLU 11 11.370 6.474 -11.605 79 1HG GLU 11 HG2 GLU 11 12.000 3.801 -12.942 80 2HG GLU 11 HG3 GLU 11 12.105 5.352 -13.789 81 H CYS 12 H CYS 12 9.135 5.462 -9.071 82 HA CYS 12 HA CYS 12 10.930 7.154 -7.439 83 1HB CYS 12 HB2 CYS 12 7.950 6.666 -7.168 84 2HB CYS 12 HB3 CYS 12 8.870 7.936 -6.364 85 H LYS 13 H LYS 13 9.375 4.060 -7.342 86 HA LYS 13 HA LYS 13 9.248 2.334 -5.880 87 1HB LYS 13 HB2 LYS 13 11.815 3.651 -4.909 88 2HB LYS 13 HB3 LYS 13 11.062 2.479 -3.860 89 1HG LYS 13 HG2 LYS 13 12.849 1.547 -5.146 90 2HG LYS 13 HG3 LYS 13 11.312 0.703 -5.361 91 1HD LYS 13 HD2 LYS 13 12.745 0.895 -7.418 92 2HD LYS 13 HD3 LYS 13 11.082 1.427 -7.593 93 1HE LYS 13 HE2 LYS 13 11.578 3.579 -7.897 94 2HE LYS 13 HE3 LYS 13 12.979 3.615 -6.848 95 1HZ LYS 13 HZ1 LYS 13 12.882 2.525 -9.600 96 2HZ LYS 13 HZ2 LYS 13 13.527 3.935 -9.179 97 3HZ LYS 13 HZ3 LYS 13 14.252 2.562 -8.665 98 H HIS 14 H HIS 14 7.930 4.982 -5.509 99 HA HIS 14 HA HIS 14 6.916 4.499 -2.758 100 1HB HIS 14 HB2 HIS 14 7.983 6.691 -2.888 101 2HB HIS 14 HB3 HIS 14 6.976 7.145 -4.258 102 HD2 HIS 14 HD2 HIS 14 4.728 8.253 -3.758 103 HE1 HIS 14 HE1 HIS 14 3.845 6.564 0.032 104 HE2 HIS 14 HE2 HIS 14 2.958 7.991 -1.870 105 H HIS 15 H HIS 15 4.601 5.055 -2.642 106 HA HIS 15 HA HIS 15 3.181 3.504 -4.565 107 1HB HIS 15 HB2 HIS 15 2.036 3.123 -2.707 108 2HB HIS 15 HB3 HIS 15 2.771 4.469 -1.860 109 HD2 HIS 15 HD2 HIS 15 -0.259 3.763 -4.196 110 HE1 HIS 15 HE1 HIS 15 -1.052 7.416 -2.151 111 HE2 HIS 15 HE2 HIS 15 -1.996 5.684 -3.792 112 H VAL 16 H VAL 16 1.430 4.127 -5.889 113 HA VAL 16 HA VAL 16 0.703 6.902 -6.242 114 HB VAL 16 HB VAL 16 1.225 7.046 -8.617 115 1HG1 VAL 16 1HG1 VAL 16 3.706 5.833 -7.354 116 2HG1 VAL 16 2HG1 VAL 16 3.621 6.898 -8.752 117 3HG1 VAL 16 3HG1 VAL 16 3.156 7.524 -7.166 118 1HG2 VAL 16 1HG2 VAL 16 2.317 5.224 -9.904 119 2HG2 VAL 16 2HG2 VAL 16 2.095 4.127 -8.529 120 3HG2 VAL 16 3HG2 VAL 16 0.691 4.811 -9.386 121 H GLU 17 H GLU 17 -1.209 7.044 -7.831 122 HA GLU 17 HA GLU 17 -3.063 4.727 -7.366 123 1HB GLU 17 HB2 GLU 17 -4.799 6.581 -7.678 124 2HB GLU 17 HB3 GLU 17 -3.991 6.402 -6.138 125 1HG GLU 17 HG2 GLU 17 -4.274 8.796 -6.803 126 2HG GLU 17 HG3 GLU 17 -2.590 8.338 -6.532 127 H THR 18 H THR 18 -1.586 6.811 -9.759 128 HA THR 18 HA THR 18 -2.956 5.265 -11.892 129 HB THR 18 HB THR 18 -2.382 8.258 -11.735 130 HG1 THR 18 HG1 THR 18 -4.116 8.049 -10.649 131 1HG2 THR 18 1HG2 THR 18 -2.572 6.767 -14.142 132 2HG2 THR 18 2HG2 THR 18 -4.242 7.300 -13.839 133 3HG2 THR 18 3HG2 THR 18 -2.932 8.473 -13.973 134 H ARG 19 H ARG 19 -1.514 4.454 -13.430 135 HA ARG 19 HA ARG 19 1.249 5.478 -13.588 136 1HB ARG 19 HB2 ARG 19 2.290 3.540 -12.836 137 2HB ARG 19 HB3 ARG 19 1.003 3.797 -11.651 138 1HG ARG 19 HG2 ARG 19 -0.401 2.113 -13.069 139 2HG ARG 19 HG3 ARG 19 1.107 1.744 -13.922 140 1HD ARG 19 HD2 ARG 19 1.833 1.647 -11.232 141 2HD ARG 19 HD3 ARG 19 0.154 1.053 -11.241 142 HE ARG 19 HE ARG 19 2.562 -0.271 -12.161 143 1HH1 ARG 19 2HH2 ARG 19 -0.971 -0.457 -12.237 144 2HH1 ARG 19 1HH2 ARG 19 -0.944 -2.141 -12.621 145 1HH2 ARG 19 1HH1 ARG 19 2.601 -2.344 -12.432 146 2HH2 ARG 19 2HH1 ARG 19 1.226 -3.261 -12.898 147 H TRP 20 H TRP 20 2.509 4.290 -15.086 148 HA TRP 20 HA TRP 20 1.182 3.015 -17.450 149 1HB TRP 20 HB2 TRP 20 3.919 4.308 -17.054 150 2HB TRP 20 HB3 TRP 20 3.279 3.626 -18.552 151 HD1 TRP 20 HD1 TRP 20 2.958 6.654 -16.299 152 HE1 TRP 20 HE1 TRP 20 1.402 8.392 -17.302 153 HE3 TRP 20 HE3 TRP 20 1.538 4.074 -20.430 154 HZ2 TRP 20 HZ2 TRP 20 -0.566 8.477 -19.400 155 HZ3 TRP 20 HZ3 TRP 20 -0.248 4.996 -21.936 156 HH2 TRP 20 HH2 TRP 20 -1.334 7.186 -21.395 157 H HIS 21 H HIS 21 1.903 0.881 -17.808 158 HA HIS 21 HA HIS 21 3.822 -0.265 -15.876 159 1HB HIS 21 HB2 HIS 21 1.992 -0.831 -14.743 160 2HB HIS 21 HB3 HIS 21 0.927 -0.846 -16.106 161 HD2 HIS 21 HD2 HIS 21 4.019 -3.184 -16.191 162 HE1 HIS 21 HE1 HIS 21 0.660 -5.676 -15.547 163 HE2 HIS 21 HE2 HIS 21 3.165 -5.625 -16.039 164 H CYS 22 H CYS 22 5.321 -1.303 -16.895 165 HA CYS 22 HA CYS 22 5.386 -1.901 -19.721 166 1HB CYS 22 HB2 CYS 22 7.082 -1.910 -17.288 167 2HB CYS 22 HB3 CYS 22 7.461 -3.206 -18.419 168 H THR 23 H THR 23 4.459 -3.489 -20.638 169 HA THR 23 HA THR 23 4.005 -6.038 -19.166 170 HB THR 23 HB THR 23 2.357 -6.572 -21.031 171 HG1 THR 23 HG1 THR 23 3.339 -4.276 -21.977 172 1HG2 THR 23 1HG2 THR 23 1.977 -4.075 -19.412 173 2HG2 THR 23 2HG2 THR 23 0.673 -5.197 -19.939 174 3HG2 THR 23 3HG2 THR 23 1.835 -5.712 -18.706 175 H VAL 24 H VAL 24 6.405 -4.946 -20.505 176 HA VAL 24 HA VAL 24 7.390 -7.003 -22.330 177 HB VAL 24 HB VAL 24 7.565 -4.737 -23.041 178 1HG1 VAL 24 1HG1 VAL 24 7.671 -3.877 -20.283 179 2HG1 VAL 24 2HG1 VAL 24 8.776 -3.052 -21.355 180 3HG1 VAL 24 3HG1 VAL 24 7.024 -3.162 -21.742 181 1HG2 VAL 24 1HG2 VAL 24 9.935 -4.200 -23.093 182 2HG2 VAL 24 2HG2 VAL 24 10.221 -5.102 -21.597 183 3HG2 VAL 24 3HG2 VAL 24 9.808 -5.980 -23.089 184 H CYS 25 H CYS 25 8.308 -5.085 -19.542 185 HA CYS 25 HA CYS 25 10.272 -6.851 -18.368 186 1HB CYS 25 HB2 CYS 25 8.936 -4.366 -17.212 187 2HB CYS 25 HB3 CYS 25 10.569 -4.960 -16.873 188 H GLU 26 H GLU 26 10.117 -6.916 -15.904 189 HA GLU 26 HA GLU 26 7.854 -8.605 -15.316 190 1HB GLU 26 HB2 GLU 26 10.454 -8.866 -14.745 191 2HB GLU 26 HB3 GLU 26 9.960 -8.064 -13.233 192 1HG GLU 26 HG2 GLU 26 8.023 -9.770 -13.207 193 2HG GLU 26 HG3 GLU 26 8.829 -10.520 -14.585 194 H ASP 27 H ASP 27 6.120 -7.183 -15.202 195 HA ASP 27 HA ASP 27 4.692 -5.626 -14.428 196 1HB ASP 27 HB2 ASP 27 4.501 -7.558 -12.859 197 2HB ASP 27 HB3 ASP 27 5.557 -6.708 -11.737 198 H TYR 28 H TYR 28 7.091 -4.422 -15.014 199 HA TYR 28 HA TYR 28 7.911 -2.605 -12.939 200 1HB TYR 28 HB2 TYR 28 9.332 -3.479 -14.798 201 2HB TYR 28 HB3 TYR 28 8.382 -2.599 -15.941 202 HD1 TYR 28 HD1 TYR 28 11.176 -2.384 -13.671 203 HD2 TYR 28 HD2 TYR 28 8.349 -0.103 -15.971 204 HE1 TYR 28 HE1 TYR 28 12.693 -0.410 -13.573 205 HE2 TYR 28 HE2 TYR 28 9.813 1.873 -15.878 206 HH TYR 28 HH TYR 28 13.037 1.781 -14.241 207 H ASP 29 H ASP 29 7.348 -0.402 -12.726 208 HA ASP 29 HA ASP 29 4.914 0.515 -14.199 209 1HB ASP 29 HB2 ASP 29 5.492 1.412 -11.406 210 2HB ASP 29 HB3 ASP 29 3.946 1.285 -12.215 211 H LEU 30 H LEU 30 4.654 2.853 -14.224 212 HA LEU 30 HA LEU 30 6.787 4.478 -13.078 213 1HB LEU 30 HB2 LEU 30 5.931 4.518 -15.999 214 2HB LEU 30 HB3 LEU 30 6.791 5.842 -15.197 215 HG LEU 30 HG LEU 30 7.864 3.028 -15.653 216 1HD1 LEU 30 1HD1 LEU 30 9.448 4.119 -17.087 217 2HD1 LEU 30 2HD1 LEU 30 7.823 4.580 -17.644 218 3HD1 LEU 30 3HD1 LEU 30 8.814 5.732 -16.706 219 1HD2 LEU 30 1HD2 LEU 30 10.019 3.889 -14.776 220 2HD2 LEU 30 2HD2 LEU 30 9.233 5.466 -14.423 221 3HD2 LEU 30 3HD2 LEU 30 8.802 4.035 -13.499 222 H CYS 31 H CYS 31 5.844 6.390 -12.191 223 HA CYS 31 HA CYS 31 3.005 6.862 -12.455 224 1HB CYS 31 HB2 CYS 31 3.499 8.935 -11.349 225 2HB CYS 31 HB3 CYS 31 4.256 7.615 -10.495 226 H ILE 32 H ILE 32 2.283 9.031 -13.355 227 HA ILE 32 HA ILE 32 2.792 9.150 -16.075 228 HB ILE 32 HB ILE 32 1.874 11.474 -14.341 229 1HG1 ILE 32 2HG1 ILE 32 0.418 9.664 -13.664 230 2HG1 ILE 32 3HG1 ILE 32 -0.475 10.784 -14.680 231 1HG2 ILE 32 1HG2 ILE 32 0.533 12.043 -16.378 232 2HG2 ILE 32 2HG2 ILE 32 2.290 12.184 -16.566 233 3HG2 ILE 32 3HG2 ILE 32 1.453 10.786 -17.257 234 1HD1 ILE 32 1HD1 ILE 32 -1.108 8.516 -15.215 235 2HD1 ILE 32 2HD1 ILE 32 -0.181 9.173 -16.589 236 3HD1 ILE 32 3HD1 ILE 32 0.564 8.032 -15.417 237 H ASN 33 H ASN 33 4.280 11.137 -13.515 238 HA ASN 33 HA ASN 33 5.711 12.868 -15.323 239 1HB ASN 33 HB2 ASN 33 5.325 13.609 -13.049 240 2HB ASN 33 HB3 ASN 33 5.958 12.122 -12.361 241 1HD2 ASN 33 2HD2 ASN 33 8.239 11.822 -12.109 242 2HD2 ASN 33 1HD2 ASN 33 9.340 13.151 -12.365 243 H CYS 34 H CYS 34 6.667 9.848 -13.653 244 HA CYS 34 HA CYS 34 9.367 9.965 -14.664 245 1HB CYS 34 HB2 CYS 34 7.731 7.799 -13.344 246 2HB CYS 34 HB3 CYS 34 9.312 7.482 -14.066 247 H TYR 35 H TYR 35 6.349 8.367 -15.825 248 HA TYR 35 HA TYR 35 7.583 7.073 -18.065 249 1HB TYR 35 HB2 TYR 35 5.331 6.515 -17.412 250 2HB TYR 35 HB3 TYR 35 4.780 8.175 -17.714 251 HD1 TYR 35 HD1 TYR 35 6.354 5.205 -19.427 252 HD2 TYR 35 HD2 TYR 35 3.838 8.691 -19.815 253 HE1 TYR 35 HE1 TYR 35 5.927 4.607 -21.778 254 HE2 TYR 35 HE2 TYR 35 3.444 8.119 -22.191 255 HH TYR 35 HH TYR 35 3.997 6.712 -23.937 256 H ASN 36 H ASN 36 6.151 10.292 -17.730 257 HA ASN 36 HA ASN 36 6.634 11.326 -20.274 258 1HB ASN 36 HB2 ASN 36 6.095 12.485 -17.545 259 2HB ASN 36 HB3 ASN 36 6.436 13.558 -18.855 260 1HD2 ASN 36 2HD2 ASN 36 4.180 14.256 -18.213 261 2HD2 ASN 36 1HD2 ASN 36 2.837 13.455 -19.039 262 H THR 37 H THR 37 9.071 10.597 -17.983 263 HA THR 37 HA THR 37 10.896 12.558 -19.347 264 HB THR 37 HB THR 37 12.123 12.684 -17.158 265 HG1 THR 37 HG1 THR 37 9.723 11.824 -15.973 266 1HG2 THR 37 1HG2 THR 37 9.282 13.774 -17.146 267 2HG2 THR 37 2HG2 THR 37 10.620 14.322 -16.106 268 3HG2 THR 37 3HG2 THR 37 10.718 14.525 -17.869 269 H LYS 38 H LYS 38 10.864 9.626 -17.364 270 HA LYS 38 HA LYS 38 13.424 8.654 -18.179 271 1HB LYS 38 HB2 LYS 38 11.068 7.007 -17.242 272 2HB LYS 38 HB3 LYS 38 12.781 6.611 -17.067 273 1HG LYS 38 HG2 LYS 38 11.359 8.890 -15.616 274 2HG LYS 38 HG3 LYS 38 11.604 7.297 -14.962 275 1HD LYS 38 HD2 LYS 38 14.028 7.649 -14.905 276 2HD LYS 38 HD3 LYS 38 13.889 9.153 -15.803 277 1HE LYS 38 HE2 LYS 38 14.176 9.697 -13.469 278 2HE LYS 38 HE3 LYS 38 12.552 10.167 -14.007 279 1HZ LYS 38 HZ1 LYS 38 12.611 9.044 -11.827 280 2HZ LYS 38 HZ2 LYS 38 11.666 8.268 -12.888 281 3HZ LYS 38 HZ3 LYS 38 13.175 7.685 -12.540 282 H SER 39 H SER 39 10.436 8.801 -19.901 283 HA SER 39 HA SER 39 9.722 7.928 -21.837 284 1HB SER 39 HB2 SER 39 12.684 8.318 -22.503 285 2HB SER 39 HB3 SER 39 11.318 8.381 -23.641 286 HG SER 39 HG SER 39 11.930 10.164 -21.502 287 H HIS 40 H HIS 40 10.058 5.801 -20.139 288 HA HIS 40 HA HIS 40 11.497 3.607 -21.333 289 1HB HIS 40 HB2 HIS 40 10.738 4.193 -18.861 290 2HB HIS 40 HB3 HIS 40 9.230 3.404 -19.309 291 HD1 HIS 40 HD1 HIS 40 12.364 2.660 -17.634 292 HD2 HIS 40 HD2 HIS 40 9.672 0.690 -20.211 293 HE1 HIS 40 HE1 HIS 40 12.685 0.191 -17.228 294 H THR 41 H THR 41 10.458 4.223 -23.453 295 HA THR 41 HA THR 41 7.739 4.056 -24.021 296 HB THR 41 HB THR 41 10.145 3.866 -25.888 297 HG1 THR 41 HG1 THR 41 10.308 5.655 -24.403 298 1HG2 THR 41 1HG2 THR 41 8.272 3.676 -27.306 299 2HG2 THR 41 2HG2 THR 41 7.338 4.890 -26.379 300 3HG2 THR 41 3HG2 THR 41 8.718 5.382 -27.367 301 H HIS 42 H HIS 42 8.654 1.292 -22.793 302 HA HIS 42 HA HIS 42 8.544 -0.476 -25.102 303 1HB HIS 42 HB2 HIS 42 8.118 -0.983 -22.170 304 2HB HIS 42 HB3 HIS 42 8.438 -2.199 -23.440 305 HD2 HIS 42 HD2 HIS 42 10.928 -0.418 -24.775 306 HE1 HIS 42 HE1 HIS 42 12.719 -1.061 -20.965 307 HE2 HIS 42 HE2 HIS 42 13.171 -0.424 -23.423 308 H LYS 43 H LYS 43 6.753 -2.327 -24.987 309 HA LYS 43 HA LYS 43 4.249 -0.950 -25.262 310 1HB LYS 43 HB2 LYS 43 5.174 -3.046 -26.505 311 2HB LYS 43 HB3 LYS 43 4.497 -3.963 -25.176 312 1HG LYS 43 HG2 LYS 43 3.092 -1.946 -26.966 313 2HG LYS 43 HG3 LYS 43 2.946 -3.716 -27.146 314 1HD LYS 43 HD2 LYS 43 1.813 -1.888 -25.003 315 2HD LYS 43 HD3 LYS 43 0.909 -2.782 -26.213 316 1HE LYS 43 HE2 LYS 43 1.493 -4.933 -25.160 317 2HE LYS 43 HE3 LYS 43 2.582 -4.114 -24.041 318 1HZ LYS 43 HZ1 LYS 43 -0.338 -4.081 -24.010 319 2HZ LYS 43 HZ2 LYS 43 0.782 -4.321 -22.800 320 3HZ LYS 43 HZ3 LYS 43 0.530 -2.832 -23.372 321 H MET 44 H MET 44 3.346 -0.207 -23.631 322 HA MET 44 HA MET 44 3.272 -1.573 -20.988 323 1HB MET 44 HB2 MET 44 3.201 1.315 -21.911 324 2HB MET 44 HB3 MET 44 2.672 0.879 -20.287 325 1HG MET 44 HG2 MET 44 4.696 0.043 -19.623 326 2HG MET 44 HG3 MET 44 5.389 -0.024 -21.221 327 1HE MET 44 HE1 MET 44 4.672 1.905 -17.935 328 2HE MET 44 HE2 MET 44 6.241 1.111 -18.169 329 3HE MET 44 HE3 MET 44 6.141 2.876 -17.980 330 H VAL 45 H VAL 45 1.281 -0.649 -19.725 331 HA VAL 45 HA VAL 45 -1.274 -0.464 -21.133 332 HB VAL 45 HB VAL 45 -2.138 -1.713 -19.150 333 1HG1 VAL 45 1HG1 VAL 45 -0.346 -3.473 -20.899 334 2HG1 VAL 45 2HG1 VAL 45 -1.855 -3.929 -20.084 335 3HG1 VAL 45 3HG1 VAL 45 -1.896 -2.777 -21.427 336 1HG2 VAL 45 1HG2 VAL 45 -0.139 -1.551 -17.741 337 2HG2 VAL 45 2HG2 VAL 45 -0.625 -3.276 -17.954 338 3HG2 VAL 45 3HG2 VAL 45 0.750 -2.628 -18.823 339 H LYS 46 H LYS 46 -2.738 0.660 -19.281 340 HA LYS 46 HA LYS 46 -1.155 2.372 -17.505 341 1HB LYS 46 HB2 LYS 46 -1.458 3.607 -19.655 342 2HB LYS 46 HB3 LYS 46 -3.203 3.441 -19.526 343 1HG LYS 46 HG2 LYS 46 -1.507 4.975 -17.475 344 2HG LYS 46 HG3 LYS 46 -2.215 5.674 -18.930 345 1HD LYS 46 HD2 LYS 46 -4.514 4.949 -17.964 346 2HD LYS 46 HD3 LYS 46 -3.638 4.678 -16.468 347 1HE LYS 46 HE2 LYS 46 -4.224 6.844 -16.112 348 2HE LYS 46 HE3 LYS 46 -2.638 7.081 -16.887 349 1HZ LYS 46 HZ1 LYS 46 -4.268 8.527 -17.792 350 2HZ LYS 46 HZ2 LYS 46 -3.990 7.449 -18.992 351 3HZ LYS 46 HZ3 LYS 46 -5.349 7.431 -17.996 352 H TRP 47 H TRP 47 -2.256 2.656 -15.636 353 HA TRP 47 HA TRP 47 -5.060 1.716 -15.431 354 1HB TRP 47 HB2 TRP 47 -2.892 1.111 -13.386 355 2HB TRP 47 HB3 TRP 47 -4.530 0.491 -13.458 356 HD1 TRP 47 HD1 TRP 47 -1.049 -0.145 -14.577 357 HE1 TRP 47 HE1 TRP 47 -0.855 -2.309 -15.892 358 HE3 TRP 47 HE3 TRP 47 -5.976 -0.785 -15.741 359 HZ2 TRP 47 HZ2 TRP 47 -2.591 -3.938 -17.582 360 HZ3 TRP 47 HZ3 TRP 47 -6.603 -2.493 -17.455 361 HH2 TRP 47 HH2 TRP 47 -4.971 -4.117 -18.275 362 H GLY 48 H GLY 48 -6.207 3.287 -14.385 363 1HA GLY 48 HA2 GLY 48 -4.720 5.376 -12.935 364 2HA GLY 48 HA3 GLY 48 -5.767 5.798 -14.333 365 H LEU 49 H LEU 49 -5.876 6.424 -11.522 366 HA LEU 49 HA LEU 49 -8.663 5.706 -11.068 367 1HB LEU 49 HB2 LEU 49 -6.603 4.161 -9.904 368 2HB LEU 49 HB3 LEU 49 -7.091 5.228 -8.620 369 HG LEU 49 HG LEU 49 -8.153 3.053 -8.623 370 1HD1 LEU 49 1HD1 LEU 49 -9.408 4.995 -7.646 371 2HD1 LEU 49 2HD1 LEU 49 -10.315 5.129 -9.158 372 3HD1 LEU 49 3HD1 LEU 49 -10.469 3.668 -8.164 373 1HD2 LEU 49 1HD2 LEU 49 -8.283 2.582 -11.013 374 2HD2 LEU 49 2HD2 LEU 49 -9.804 2.269 -10.156 375 3HD2 LEU 49 3HD2 LEU 49 -9.617 3.721 -11.175 376 H GLY 50 H GLY 50 -6.324 8.150 -10.962 377 1HA GLY 50 HA2 GLY 50 -8.133 9.819 -9.331 378 2HA GLY 50 HA3 GLY 50 -6.510 9.549 -8.682 379 H LEU 51 H LEU 51 -4.939 9.713 -10.995 380 HA LEU 51 HA LEU 51 -5.402 12.474 -12.039 381 1HB LEU 51 HB2 LEU 51 -2.863 11.157 -10.999 382 2HB LEU 51 HB3 LEU 51 -2.915 12.718 -11.834 383 HG LEU 51 HG LEU 51 -4.390 12.188 -9.226 384 1HD1 LEU 51 1HD1 LEU 51 -1.647 13.428 -9.648 385 2HD1 LEU 51 2HD1 LEU 51 -2.588 13.402 -8.121 386 3HD1 LEU 51 3HD1 LEU 51 -2.019 11.886 -8.843 387 1HD2 LEU 51 1HD2 LEU 51 -5.285 14.090 -10.484 388 2HD2 LEU 51 2HD2 LEU 51 -4.407 14.665 -9.071 389 3HD2 LEU 51 3HD2 LEU 51 -3.683 14.790 -10.708 390 H ASP 52 H ASP 52 -6.476 10.559 -13.410 391 HA ASP 52 HA ASP 52 -4.958 8.866 -15.023 392 1HB ASP 52 HB2 ASP 52 -7.447 8.780 -14.647 393 2HB ASP 52 HB3 ASP 52 -7.615 10.046 -15.877 Start of MODEL 14 1 1H GLY 1 H1 GLY 1 4.159 -2.210 -10.035 2 2H GLY 1 H2 GLY 1 5.168 -3.439 -9.568 3 3H GLY 1 H3 GLY 1 3.819 -3.763 -10.417 4 1HA GLY 1 HA2 GLY 1 3.452 -4.335 -8.132 5 2HA GLY 1 HA3 GLY 1 3.913 -2.667 -7.680 6 H GLN 2 H GLN 2 1.163 -4.435 -7.653 7 HA GLN 2 HA GLN 2 -0.442 -2.113 -8.343 8 1HB GLN 2 HB2 GLN 2 -1.918 -3.539 -9.865 9 2HB GLN 2 HB3 GLN 2 -0.412 -2.900 -10.461 10 1HG GLN 2 HG2 GLN 2 0.717 -5.072 -10.261 11 2HG GLN 2 HG3 GLN 2 -0.783 -5.786 -9.616 12 1HE2 GLN 2 2HE2 GLN 2 1.055 -5.571 -12.440 13 2HE2 GLN 2 1HE2 GLN 2 -0.233 -5.740 -13.604 14 H ASP 3 H ASP 3 -2.484 -2.111 -7.709 15 HA ASP 3 HA ASP 3 -3.766 -4.116 -5.983 16 1HB ASP 3 HB2 ASP 3 -2.624 -2.617 -4.394 17 2HB ASP 3 HB3 ASP 3 -3.176 -1.184 -5.290 18 H ARG 4 H ARG 4 -6.220 -3.398 -5.956 19 HA ARG 4 HA ARG 4 -6.955 -2.817 -8.644 20 1HB ARG 4 HB2 ARG 4 -9.351 -2.570 -7.577 21 2HB ARG 4 HB3 ARG 4 -8.532 -4.101 -7.758 22 1HG ARG 4 HG2 ARG 4 -9.672 -3.997 -5.619 23 2HG ARG 4 HG3 ARG 4 -7.950 -4.188 -5.414 24 1HD ARG 4 HD2 ARG 4 -8.261 -1.411 -5.336 25 2HD ARG 4 HD3 ARG 4 -9.699 -1.959 -4.490 26 HE ARG 4 HE ARG 4 -6.873 -2.167 -3.771 27 1HH1 ARG 4 1HH1 ARG 4 -10.093 -3.168 -2.801 28 2HH1 ARG 4 2HH1 ARG 4 -9.582 -3.952 -1.342 29 1HH2 ARG 4 1HH2 ARG 4 -6.159 -3.235 -2.077 30 2HH2 ARG 4 2HH2 ARG 4 -7.149 -3.915 -0.821 31 H PHE 5 H PHE 5 -6.244 -0.520 -6.157 32 HA PHE 5 HA PHE 5 -6.786 1.562 -8.130 33 1HB PHE 5 HB2 PHE 5 -7.932 3.014 -6.436 34 2HB PHE 5 HB3 PHE 5 -8.856 1.737 -7.168 35 HD1 PHE 5 HD1 PHE 5 -6.518 1.312 -4.223 36 HD2 PHE 5 HD2 PHE 5 -10.586 1.484 -5.611 37 HE1 PHE 5 HE1 PHE 5 -7.290 0.574 -2.008 38 HE2 PHE 5 HE2 PHE 5 -11.368 0.686 -3.405 39 HZ PHE 5 HZ PHE 5 -9.737 0.228 -1.578 40 H VAL 6 H VAL 6 -4.552 0.207 -6.277 41 HA VAL 6 HA VAL 6 -3.043 2.709 -6.028 42 HB VAL 6 HB VAL 6 -3.717 0.709 -3.917 43 1HG1 VAL 6 1HG1 VAL 6 -1.683 0.992 -2.637 44 2HG1 VAL 6 2HG1 VAL 6 -1.378 0.132 -4.150 45 3HG1 VAL 6 3HG1 VAL 6 -0.881 1.833 -3.991 46 1HG2 VAL 6 1HG2 VAL 6 -4.493 3.024 -3.930 47 2HG2 VAL 6 2HG2 VAL 6 -3.420 2.745 -2.538 48 3HG2 VAL 6 3HG2 VAL 6 -2.813 3.617 -3.971 49 H TYR 7 H TYR 7 -0.810 2.396 -6.319 50 HA TYR 7 HA TYR 7 0.158 -0.041 -7.636 51 1HB TYR 7 HB2 TYR 7 -0.122 2.744 -8.911 52 2HB TYR 7 HB3 TYR 7 0.696 1.398 -9.655 53 HD1 TYR 7 HD1 TYR 7 -0.772 -0.741 -10.100 54 HD2 TYR 7 HD2 TYR 7 -2.423 3.020 -8.953 55 HE1 TYR 7 HE1 TYR 7 -2.995 -1.490 -10.949 56 HE2 TYR 7 HE2 TYR 7 -4.674 2.231 -9.510 57 HH TYR 7 HH TYR 7 -5.945 0.442 -10.486 58 H THR 8 H THR 8 2.448 1.001 -8.647 59 HA THR 8 HA THR 8 3.665 2.848 -6.699 60 HB THR 8 HB THR 8 5.762 1.207 -7.313 61 HG1 THR 8 HG1 THR 8 4.732 -0.345 -8.456 62 1HG2 THR 8 1HG2 THR 8 5.349 -0.033 -5.176 63 2HG2 THR 8 2HG2 THR 8 5.251 1.724 -5.045 64 3HG2 THR 8 3HG2 THR 8 3.750 0.764 -5.115 65 H CYS 9 H CYS 9 5.640 3.783 -7.631 66 HA CYS 9 HA CYS 9 5.706 3.801 -10.614 67 1HB CYS 9 HB2 CYS 9 5.504 6.165 -9.784 68 2HB CYS 9 HB3 CYS 9 6.816 5.872 -8.611 69 H ASN 10 H ASN 10 7.181 2.066 -10.837 70 HA ASN 10 HA ASN 10 8.928 1.446 -8.621 71 1HB ASN 10 HB2 ASN 10 9.095 -0.540 -9.443 72 2HB ASN 10 HB3 ASN 10 7.871 -0.117 -10.635 73 1HD2 ASN 10 2HD2 ASN 10 9.066 1.252 -12.546 74 2HD2 ASN 10 1HD2 ASN 10 10.421 0.352 -13.214 75 H GLU 11 H GLU 11 9.102 4.031 -10.670 76 HA GLU 11 HA GLU 11 12.039 3.940 -10.630 77 1HB GLU 11 HB2 GLU 11 10.118 5.404 -12.309 78 2HB GLU 11 HB3 GLU 11 11.358 6.422 -11.587 79 1HG GLU 11 HG2 GLU 11 12.033 3.779 -12.991 80 2HG GLU 11 HG3 GLU 11 12.040 5.335 -13.818 81 H CYS 12 H CYS 12 9.284 5.251 -8.922 82 HA CYS 12 HA CYS 12 11.117 6.973 -7.317 83 1HB CYS 12 HB2 CYS 12 8.077 6.709 -7.147 84 2HB CYS 12 HB3 CYS 12 9.120 7.851 -6.284 85 H LYS 13 H LYS 13 9.408 4.007 -7.358 86 HA LYS 13 HA LYS 13 8.921 2.320 -5.986 87 1HB LYS 13 HB2 LYS 13 11.651 3.093 -4.896 88 2HB LYS 13 HB3 LYS 13 10.725 1.744 -4.213 89 1HG LYS 13 HG2 LYS 13 11.495 0.395 -5.784 90 2HG LYS 13 HG3 LYS 13 10.527 1.247 -6.949 91 1HD LYS 13 HD2 LYS 13 13.475 1.526 -6.383 92 2HD LYS 13 HD3 LYS 13 12.580 1.070 -7.867 93 1HE LYS 13 HE2 LYS 13 11.681 3.454 -7.829 94 2HE LYS 13 HE3 LYS 13 13.002 3.857 -6.738 95 1HZ LYS 13 HZ1 LYS 13 14.533 3.040 -8.566 96 2HZ LYS 13 HZ2 LYS 13 13.193 2.727 -9.476 97 3HZ LYS 13 HZ3 LYS 13 13.533 4.241 -9.075 98 H HIS 14 H HIS 14 7.722 4.697 -5.630 99 HA HIS 14 HA HIS 14 6.735 4.321 -2.882 100 1HB HIS 14 HB2 HIS 14 7.835 6.519 -2.971 101 2HB HIS 14 HB3 HIS 14 6.900 6.953 -4.416 102 HD2 HIS 14 HD2 HIS 14 4.720 8.262 -3.889 103 HE1 HIS 14 HE1 HIS 14 3.568 6.427 -0.247 104 HE2 HIS 14 HE2 HIS 14 2.845 8.009 -2.085 105 H HIS 15 H HIS 15 4.430 4.935 -2.822 106 HA HIS 15 HA HIS 15 2.964 3.433 -4.772 107 1HB HIS 15 HB2 HIS 15 1.736 3.127 -2.964 108 2HB HIS 15 HB3 HIS 15 2.631 4.338 -2.052 109 HD2 HIS 15 HD2 HIS 15 -0.494 3.981 -4.271 110 HE1 HIS 15 HE1 HIS 15 -0.888 7.670 -2.181 111 HE2 HIS 15 HE2 HIS 15 -2.039 6.044 -3.795 112 H VAL 16 H VAL 16 1.215 4.157 -6.046 113 HA VAL 16 HA VAL 16 0.689 6.974 -6.421 114 HB VAL 16 HB VAL 16 1.186 7.039 -8.794 115 1HG1 VAL 16 1HG1 VAL 16 3.575 5.684 -7.531 116 2HG1 VAL 16 2HG1 VAL 16 3.517 6.608 -9.029 117 3HG1 VAL 16 3HG1 VAL 16 3.171 7.438 -7.492 118 1HG2 VAL 16 1HG2 VAL 16 2.106 5.111 -10.044 119 2HG2 VAL 16 2HG2 VAL 16 1.828 4.052 -8.653 120 3HG2 VAL 16 3HG2 VAL 16 0.458 4.804 -9.502 121 H GLU 17 H GLU 17 -1.366 7.214 -7.774 122 HA GLU 17 HA GLU 17 -3.179 4.910 -7.245 123 1HB GLU 17 HB2 GLU 17 -4.916 6.755 -7.720 124 2HB GLU 17 HB3 GLU 17 -4.126 6.638 -6.148 125 1HG GLU 17 HG2 GLU 17 -4.343 8.976 -6.895 126 2HG GLU 17 HG3 GLU 17 -2.663 8.501 -6.639 127 H THR 18 H THR 18 -1.615 6.741 -9.738 128 HA THR 18 HA THR 18 -2.988 5.145 -11.822 129 HB THR 18 HB THR 18 -2.420 8.145 -11.812 130 HG1 THR 18 HG1 THR 18 -4.178 8.011 -10.762 131 1HG2 THR 18 1HG2 THR 18 -2.824 6.314 -14.068 132 2HG2 THR 18 2HG2 THR 18 -4.255 7.355 -13.930 133 3HG2 THR 18 3HG2 THR 18 -2.676 8.078 -14.120 134 H ARG 19 H ARG 19 -1.474 4.226 -13.215 135 HA ARG 19 HA ARG 19 1.275 5.347 -13.300 136 1HB ARG 19 HB2 ARG 19 2.373 3.267 -12.871 137 2HB ARG 19 HB3 ARG 19 1.273 3.508 -11.514 138 1HG ARG 19 HG2 ARG 19 -0.329 1.972 -12.473 139 2HG ARG 19 HG3 ARG 19 0.634 1.734 -13.924 140 1HD ARG 19 HD2 ARG 19 2.254 0.410 -12.895 141 2HD ARG 19 HD3 ARG 19 1.710 0.829 -11.270 142 HE ARG 19 HE ARG 19 -0.551 -0.127 -12.173 143 1HH1 ARG 19 2HH2 ARG 19 2.593 -1.800 -12.266 144 2HH1 ARG 19 1HH2 ARG 19 1.957 -3.287 -12.774 145 1HH2 ARG 19 1HH1 ARG 19 -1.386 -2.070 -13.060 146 2HH2 ARG 19 2HH1 ARG 19 -0.389 -3.460 -13.127 147 H TRP 20 H TRP 20 2.593 4.117 -14.848 148 HA TRP 20 HA TRP 20 1.205 3.102 -17.288 149 1HB TRP 20 HB2 TRP 20 3.885 4.499 -16.860 150 2HB TRP 20 HB3 TRP 20 3.273 3.880 -18.395 151 HD1 TRP 20 HD1 TRP 20 2.751 6.724 -15.887 152 HE1 TRP 20 HE1 TRP 20 1.129 8.472 -16.819 153 HE3 TRP 20 HE3 TRP 20 1.542 4.443 -20.264 154 HZ2 TRP 20 HZ2 TRP 20 -0.461 8.878 -19.183 155 HZ3 TRP 20 HZ3 TRP 20 -0.033 5.525 -21.870 156 HH2 TRP 20 HH2 TRP 20 -1.074 7.722 -21.316 157 H HIS 21 H HIS 21 1.870 0.953 -17.675 158 HA HIS 21 HA HIS 21 3.869 -0.233 -15.806 159 1HB HIS 21 HB2 HIS 21 1.927 -0.758 -14.690 160 2HB HIS 21 HB3 HIS 21 0.953 -0.796 -16.131 161 HD2 HIS 21 HD2 HIS 21 4.054 -3.105 -16.034 162 HE1 HIS 21 HE1 HIS 21 0.637 -5.576 -15.759 163 HE2 HIS 21 HE2 HIS 21 3.167 -5.543 -16.036 164 H CYS 22 H CYS 22 5.342 -1.321 -16.874 165 HA CYS 22 HA CYS 22 5.307 -1.862 -19.696 166 1HB CYS 22 HB2 CYS 22 7.111 -1.802 -17.378 167 2HB CYS 22 HB3 CYS 22 7.439 -3.172 -18.432 168 H THR 23 H THR 23 4.507 -3.575 -20.666 169 HA THR 23 HA THR 23 4.091 -6.075 -19.109 170 HB THR 23 HB THR 23 2.326 -6.678 -20.778 171 HG1 THR 23 HG1 THR 23 3.263 -4.427 -21.926 172 1HG2 THR 23 1HG2 THR 23 2.021 -4.010 -19.400 173 2HG2 THR 23 2HG2 THR 23 0.708 -5.167 -19.787 174 3HG2 THR 23 3HG2 THR 23 1.937 -5.557 -18.542 175 H VAL 24 H VAL 24 6.413 -5.026 -20.416 176 HA VAL 24 HA VAL 24 7.498 -7.130 -22.171 177 HB VAL 24 HB VAL 24 7.471 -4.904 -23.002 178 1HG1 VAL 24 1HG1 VAL 24 7.511 -3.877 -20.328 179 2HG1 VAL 24 2HG1 VAL 24 8.759 -3.144 -21.273 180 3HG1 VAL 24 3HG1 VAL 24 7.058 -3.154 -21.851 181 1HG2 VAL 24 1HG2 VAL 24 9.715 -6.065 -23.131 182 2HG2 VAL 24 2HG2 VAL 24 9.827 -4.294 -23.210 183 3HG2 VAL 24 3HG2 VAL 24 10.221 -5.121 -21.701 184 H CYS 25 H CYS 25 8.380 -4.935 -19.527 185 HA CYS 25 HA CYS 25 10.406 -6.597 -18.335 186 1HB CYS 25 HB2 CYS 25 8.924 -4.211 -17.139 187 2HB CYS 25 HB3 CYS 25 10.559 -4.726 -16.738 188 H GLU 26 H GLU 26 10.108 -7.017 -15.773 189 HA GLU 26 HA GLU 26 7.582 -8.466 -15.360 190 1HB GLU 26 HB2 GLU 26 10.259 -8.389 -13.993 191 2HB GLU 26 HB3 GLU 26 8.851 -8.779 -13.023 192 1HG GLU 26 HG2 GLU 26 8.208 -10.576 -14.550 193 2HG GLU 26 HG3 GLU 26 9.576 -10.237 -15.607 194 H ASP 27 H ASP 27 5.990 -7.056 -15.104 195 HA ASP 27 HA ASP 27 4.718 -5.347 -14.361 196 1HB ASP 27 HB2 ASP 27 4.425 -7.318 -12.812 197 2HB ASP 27 HB3 ASP 27 5.482 -6.503 -11.673 198 H TYR 28 H TYR 28 7.128 -4.277 -14.933 199 HA TYR 28 HA TYR 28 8.118 -2.414 -12.932 200 1HB TYR 28 HB2 TYR 28 9.438 -3.374 -14.863 201 2HB TYR 28 HB3 TYR 28 8.375 -2.550 -15.967 202 HD1 TYR 28 HD1 TYR 28 11.402 -2.266 -14.019 203 HD2 TYR 28 HD2 TYR 28 8.334 -0.017 -16.024 204 HE1 TYR 28 HE1 TYR 28 12.903 -0.312 -14.103 205 HE2 TYR 28 HE2 TYR 28 9.800 1.947 -16.127 206 HH TYR 28 HH TYR 28 13.167 1.908 -14.783 207 H ASP 29 H ASP 29 7.493 -0.291 -12.640 208 HA ASP 29 HA ASP 29 5.077 0.661 -14.133 209 1HB ASP 29 HB2 ASP 29 5.486 1.552 -11.297 210 2HB ASP 29 HB3 ASP 29 4.013 1.300 -12.174 211 H LEU 30 H LEU 30 4.805 2.940 -14.180 212 HA LEU 30 HA LEU 30 6.884 4.596 -12.932 213 1HB LEU 30 HB2 LEU 30 5.965 4.701 -15.854 214 2HB LEU 30 HB3 LEU 30 6.872 5.944 -15.034 215 HG LEU 30 HG LEU 30 7.828 3.116 -15.638 216 1HD1 LEU 30 1HD1 LEU 30 7.757 4.643 -17.571 217 2HD1 LEU 30 2HD1 LEU 30 8.741 5.827 -16.678 218 3HD1 LEU 30 3HD1 LEU 30 9.443 4.256 -17.090 219 1HD2 LEU 30 1HD2 LEU 30 9.455 5.399 -14.444 220 2HD2 LEU 30 2HD2 LEU 30 8.799 4.093 -13.460 221 3HD2 LEU 30 3HD2 LEU 30 9.999 3.725 -14.705 222 H CYS 31 H CYS 31 5.969 6.416 -12.021 223 HA CYS 31 HA CYS 31 3.161 6.989 -12.228 224 1HB CYS 31 HB2 CYS 31 3.743 9.115 -11.225 225 2HB CYS 31 HB3 CYS 31 4.441 7.813 -10.268 226 H ILE 32 H ILE 32 2.493 9.162 -13.037 227 HA ILE 32 HA ILE 32 2.805 9.292 -15.783 228 HB ILE 32 HB ILE 32 2.048 11.646 -14.027 229 1HG1 ILE 32 2HG1 ILE 32 0.713 9.983 -13.058 230 2HG1 ILE 32 3HG1 ILE 32 -0.326 10.827 -14.178 231 1HG2 ILE 32 1HG2 ILE 32 1.311 10.779 -16.847 232 2HG2 ILE 32 2HG2 ILE 32 0.570 12.148 -16.007 233 3HG2 ILE 32 3HG2 ILE 32 2.318 12.171 -16.354 234 1HD1 ILE 32 1HD1 ILE 32 0.938 8.105 -14.744 235 2HD1 ILE 32 2HD1 ILE 32 -0.613 8.350 -14.026 236 3HD1 ILE 32 3HD1 ILE 32 -0.367 8.961 -15.685 237 H ASN 33 H ASN 33 4.474 11.245 -13.315 238 HA ASN 33 HA ASN 33 5.828 12.907 -15.208 239 1HB ASN 33 HB2 ASN 33 5.663 13.739 -12.962 240 2HB ASN 33 HB3 ASN 33 6.299 12.249 -12.268 241 1HD2 ASN 33 2HD2 ASN 33 8.557 11.926 -12.085 242 2HD2 ASN 33 1HD2 ASN 33 9.695 13.180 -12.521 243 H CYS 34 H CYS 34 6.848 9.906 -13.523 244 HA CYS 34 HA CYS 34 9.483 9.954 -14.648 245 1HB CYS 34 HB2 CYS 34 7.758 7.812 -13.359 246 2HB CYS 34 HB3 CYS 34 9.301 7.410 -14.141 247 H TYR 35 H TYR 35 6.377 8.477 -15.734 248 HA TYR 35 HA TYR 35 7.448 7.185 -18.026 249 1HB TYR 35 HB2 TYR 35 5.178 6.802 -17.246 250 2HB TYR 35 HB3 TYR 35 4.706 8.463 -17.600 251 HD1 TYR 35 HD1 TYR 35 6.144 5.395 -19.263 252 HD2 TYR 35 HD2 TYR 35 3.753 8.973 -19.701 253 HE1 TYR 35 HE1 TYR 35 5.581 4.729 -21.582 254 HE2 TYR 35 HE2 TYR 35 3.224 8.307 -22.020 255 HH TYR 35 HH TYR 35 4.517 5.328 -23.486 256 H ASN 36 H ASN 36 6.136 10.459 -17.631 257 HA ASN 36 HA ASN 36 6.630 11.493 -20.178 258 1HB ASN 36 HB2 ASN 36 6.150 12.606 -17.407 259 2HB ASN 36 HB3 ASN 36 6.539 13.731 -18.664 260 1HD2 ASN 36 2HD2 ASN 36 4.155 14.328 -17.724 261 2HD2 ASN 36 1HD2 ASN 36 2.905 13.656 -18.783 262 H THR 37 H THR 37 9.081 10.681 -17.939 263 HA THR 37 HA THR 37 10.923 12.604 -19.318 264 HB THR 37 HB THR 37 12.166 12.701 -17.141 265 HG1 THR 37 HG1 THR 37 9.757 11.867 -15.928 266 1HG2 THR 37 1HG2 THR 37 9.334 13.788 -16.984 267 2HG2 THR 37 2HG2 THR 37 10.738 14.397 -16.114 268 3HG2 THR 37 3HG2 THR 37 10.642 14.548 -17.888 269 H LYS 38 H LYS 38 10.746 9.583 -17.479 270 HA LYS 38 HA LYS 38 13.274 8.539 -18.351 271 1HB LYS 38 HB2 LYS 38 10.877 6.968 -17.348 272 2HB LYS 38 HB3 LYS 38 12.560 6.493 -17.263 273 1HG LYS 38 HG2 LYS 38 11.358 8.860 -15.724 274 2HG LYS 38 HG3 LYS 38 11.542 7.242 -15.081 275 1HD LYS 38 HD2 LYS 38 13.944 7.414 -15.121 276 2HD LYS 38 HD3 LYS 38 13.887 8.890 -16.090 277 1HE LYS 38 HE2 LYS 38 14.319 9.526 -13.804 278 2HE LYS 38 HE3 LYS 38 12.715 10.096 -14.295 279 1HZ LYS 38 HZ1 LYS 38 12.795 9.044 -12.034 280 2HZ LYS 38 HZ2 LYS 38 11.708 8.391 -13.037 281 3HZ LYS 38 HZ3 LYS 38 13.152 7.637 -12.734 282 H SER 39 H SER 39 10.351 8.981 -20.052 283 HA SER 39 HA SER 39 9.531 8.194 -22.012 284 1HB SER 39 HB2 SER 39 12.483 8.371 -22.712 285 2HB SER 39 HB3 SER 39 11.105 8.669 -23.785 286 HG SER 39 HG SER 39 11.964 10.244 -21.581 287 H HIS 40 H HIS 40 9.550 5.987 -20.496 288 HA HIS 40 HA HIS 40 10.971 3.740 -21.499 289 1HB HIS 40 HB2 HIS 40 9.244 4.339 -19.358 290 2HB HIS 40 HB3 HIS 40 8.356 3.129 -20.280 291 HD1 HIS 40 HD1 HIS 40 11.582 3.369 -18.150 292 HD2 HIS 40 HD2 HIS 40 9.362 0.703 -20.498 293 HE1 HIS 40 HE1 HIS 40 12.470 1.043 -17.632 294 H THR 41 H THR 41 10.769 3.083 -23.505 295 HA THR 41 HA THR 41 8.456 3.833 -25.043 296 HB THR 41 HB THR 41 10.721 2.421 -26.345 297 HG1 THR 41 HG1 THR 41 11.263 4.732 -24.835 298 1HG2 THR 41 1HG2 THR 41 9.485 5.167 -26.736 299 2HG2 THR 41 2HG2 THR 41 10.701 4.393 -27.803 300 3HG2 THR 41 3HG2 THR 41 9.087 3.688 -27.632 301 H HIS 42 H HIS 42 8.834 1.041 -23.220 302 HA HIS 42 HA HIS 42 8.499 -0.895 -25.329 303 1HB HIS 42 HB2 HIS 42 8.121 -1.171 -22.351 304 2HB HIS 42 HB3 HIS 42 8.460 -2.449 -23.562 305 HD2 HIS 42 HD2 HIS 42 11.040 -0.955 -24.964 306 HE1 HIS 42 HE1 HIS 42 12.647 -1.014 -21.011 307 HE2 HIS 42 HE2 HIS 42 13.205 -0.769 -23.489 308 H LYS 43 H LYS 43 6.652 -2.628 -25.024 309 HA LYS 43 HA LYS 43 4.230 -1.155 -25.285 310 1HB LYS 43 HB2 LYS 43 4.986 -3.336 -26.517 311 2HB LYS 43 HB3 LYS 43 4.296 -4.171 -25.143 312 1HG LYS 43 HG2 LYS 43 2.938 -2.073 -26.897 313 2HG LYS 43 HG3 LYS 43 2.731 -3.836 -27.124 314 1HD LYS 43 HD2 LYS 43 1.694 -2.055 -24.912 315 2HD LYS 43 HD3 LYS 43 0.763 -2.911 -26.134 316 1HE LYS 43 HE2 LYS 43 1.310 -5.087 -25.139 317 2HE LYS 43 HE3 LYS 43 2.475 -4.306 -24.047 318 1HZ LYS 43 HZ1 LYS 43 -0.435 -4.271 -23.898 319 2HZ LYS 43 HZ2 LYS 43 0.725 -4.557 -22.735 320 3HZ LYS 43 HZ3 LYS 43 0.434 -3.038 -23.237 321 H MET 44 H MET 44 3.446 -0.287 -23.596 322 HA MET 44 HA MET 44 3.317 -1.622 -20.920 323 1HB MET 44 HB2 MET 44 3.261 1.271 -21.927 324 2HB MET 44 HB3 MET 44 2.724 0.839 -20.286 325 1HG MET 44 HG2 MET 44 4.654 0.085 -19.572 326 2HG MET 44 HG3 MET 44 5.401 -0.122 -21.145 327 1HE MET 44 HE1 MET 44 6.155 2.925 -18.061 328 2HE MET 44 HE2 MET 44 4.646 2.025 -18.014 329 3HE MET 44 HE3 MET 44 6.173 1.140 -18.100 330 H VAL 45 H VAL 45 1.332 -0.561 -19.710 331 HA VAL 45 HA VAL 45 -1.185 -0.389 -21.135 332 HB VAL 45 HB VAL 45 -2.100 -1.662 -19.182 333 1HG1 VAL 45 1HG1 VAL 45 -1.812 -2.695 -21.514 334 2HG1 VAL 45 2HG1 VAL 45 -0.317 -3.461 -20.888 335 3HG1 VAL 45 3HG1 VAL 45 -1.898 -3.855 -20.184 336 1HG2 VAL 45 1HG2 VAL 45 0.745 -2.596 -18.800 337 2HG2 VAL 45 2HG2 VAL 45 -0.231 -1.617 -17.704 338 3HG2 VAL 45 3HG2 VAL 45 -0.657 -3.324 -18.039 339 H LYS 46 H LYS 46 -2.679 0.700 -19.251 340 HA LYS 46 HA LYS 46 -1.073 2.344 -17.418 341 1HB LYS 46 HB2 LYS 46 -1.344 3.563 -19.642 342 2HB LYS 46 HB3 LYS 46 -3.092 3.531 -19.393 343 1HG LYS 46 HG2 LYS 46 -1.149 4.872 -17.449 344 2HG LYS 46 HG3 LYS 46 -1.817 5.646 -18.868 345 1HD LYS 46 HD2 LYS 46 -4.138 5.314 -17.910 346 2HD LYS 46 HD3 LYS 46 -3.370 4.738 -16.423 347 1HE LYS 46 HE2 LYS 46 -3.799 7.049 -16.170 348 2HE LYS 46 HE3 LYS 46 -2.043 6.869 -16.324 349 1HZ LYS 46 HZ1 LYS 46 -3.977 7.832 -18.344 350 2HZ LYS 46 HZ2 LYS 46 -2.915 8.706 -17.598 351 3HZ LYS 46 HZ3 LYS 46 -2.355 7.605 -18.690 352 H TRP 47 H TRP 47 -2.234 2.578 -15.550 353 HA TRP 47 HA TRP 47 -5.075 1.687 -15.492 354 1HB TRP 47 HB2 TRP 47 -3.008 1.013 -13.350 355 2HB TRP 47 HB3 TRP 47 -4.644 0.415 -13.486 356 HD1 TRP 47 HD1 TRP 47 -1.126 -0.242 -14.500 357 HE1 TRP 47 HE1 TRP 47 -0.935 -2.346 -15.935 358 HE3 TRP 47 HE3 TRP 47 -6.016 -0.707 -15.894 359 HZ2 TRP 47 HZ2 TRP 47 -2.648 -3.886 -17.706 360 HZ3 TRP 47 HZ3 TRP 47 -6.650 -2.387 -17.628 361 HH2 TRP 47 HH2 TRP 47 -4.982 -3.988 -18.482 362 H GLY 48 H GLY 48 -6.271 3.334 -14.492 363 1HA GLY 48 HA2 GLY 48 -4.817 5.293 -12.859 364 2HA GLY 48 HA3 GLY 48 -5.577 5.811 -14.400 365 H LEU 49 H LEU 49 -5.967 6.426 -11.593 366 HA LEU 49 HA LEU 49 -8.868 5.943 -11.389 367 1HB LEU 49 HB2 LEU 49 -6.728 5.147 -9.429 368 2HB LEU 49 HB3 LEU 49 -8.242 5.681 -8.781 369 HG LEU 49 HG LEU 49 -8.351 3.447 -8.778 370 1HD1 LEU 49 1HD1 LEU 49 -10.293 2.839 -9.999 371 2HD1 LEU 49 2HD1 LEU 49 -10.410 4.581 -9.643 372 3HD1 LEU 49 3HD1 LEU 49 -9.983 4.029 -11.266 373 1HD2 LEU 49 1HD2 LEU 49 -7.872 2.867 -11.684 374 2HD2 LEU 49 2HD2 LEU 49 -6.524 3.004 -10.513 375 3HD2 LEU 49 3HD2 LEU 49 -7.831 1.822 -10.267 376 H GLY 50 H GLY 50 -6.228 8.248 -10.938 377 1HA GLY 50 HA2 GLY 50 -8.255 10.153 -9.859 378 2HA GLY 50 HA3 GLY 50 -6.704 9.913 -9.018 379 H LEU 51 H LEU 51 -4.789 9.947 -10.942 380 HA LEU 51 HA LEU 51 -5.203 12.540 -12.382 381 1HB LEU 51 HB2 LEU 51 -2.704 11.428 -11.056 382 2HB LEU 51 HB3 LEU 51 -2.783 12.857 -12.064 383 HG LEU 51 HG LEU 51 -2.581 13.653 -9.909 384 1HD1 LEU 51 1HD1 LEU 51 -4.564 14.920 -9.412 385 2HD1 LEU 51 2HD1 LEU 51 -4.312 14.874 -11.155 386 3HD1 LEU 51 3HD1 LEU 51 -5.555 13.837 -10.412 387 1HD2 LEU 51 1HD2 LEU 51 -3.843 13.021 -7.932 388 2HD2 LEU 51 2HD2 LEU 51 -4.838 11.893 -8.863 389 3HD2 LEU 51 3HD2 LEU 51 -3.105 11.578 -8.664 390 H ASP 52 H ASP 52 -6.065 11.081 -14.114 391 HA ASP 52 HA ASP 52 -4.359 9.072 -15.270 392 1HB ASP 52 HB2 ASP 52 -6.903 9.223 -15.440 393 2HB ASP 52 HB3 ASP 52 -6.646 10.387 -16.737 Start of MODEL 15 1 1H GLY 1 H1 GLY 1 3.883 -3.667 -10.371 2 2H GLY 1 H2 GLY 1 4.068 -2.131 -9.853 3 3H GLY 1 H3 GLY 1 5.177 -3.271 -9.426 4 1HA GLY 1 HA2 GLY 1 3.429 -4.491 -8.246 5 2HA GLY 1 HA3 GLY 1 3.757 -2.877 -7.554 6 H GLN 2 H GLN 2 1.124 -4.600 -7.634 7 HA GLN 2 HA GLN 2 -0.559 -2.357 -8.434 8 1HB GLN 2 HB2 GLN 2 -2.015 -3.918 -9.854 9 2HB GLN 2 HB3 GLN 2 -0.498 -3.373 -10.549 10 1HG GLN 2 HG2 GLN 2 0.563 -5.542 -10.089 11 2HG GLN 2 HG3 GLN 2 -0.924 -6.107 -9.303 12 1HE2 GLN 2 2HE2 GLN 2 0.728 -5.748 -12.380 13 2HE2 GLN 2 1HE2 GLN 2 -0.632 -6.345 -13.329 14 H ASP 3 H ASP 3 -2.581 -2.350 -7.675 15 HA ASP 3 HA ASP 3 -3.753 -4.304 -5.842 16 1HB ASP 3 HB2 ASP 3 -2.495 -2.818 -4.358 17 2HB ASP 3 HB3 ASP 3 -3.077 -1.377 -5.198 18 H ARG 4 H ARG 4 -6.130 -3.708 -5.753 19 HA ARG 4 HA ARG 4 -7.080 -3.027 -8.324 20 1HB ARG 4 HB2 ARG 4 -9.391 -2.797 -7.096 21 2HB ARG 4 HB3 ARG 4 -8.593 -4.352 -7.284 22 1HG ARG 4 HG2 ARG 4 -9.548 -4.184 -5.086 23 2HG ARG 4 HG3 ARG 4 -7.792 -4.309 -4.990 24 1HD ARG 4 HD2 ARG 4 -8.199 -1.561 -4.974 25 2HD ARG 4 HD3 ARG 4 -9.570 -2.102 -4.028 26 HE ARG 4 HE ARG 4 -6.721 -2.207 -3.440 27 1HH1 ARG 4 1HH1 ARG 4 -9.856 -3.202 -2.214 28 2HH1 ARG 4 2HH1 ARG 4 -9.216 -3.930 -0.766 29 1HH2 ARG 4 1HH2 ARG 4 -5.872 -3.283 -1.783 30 2HH2 ARG 4 2HH2 ARG 4 -6.773 -3.834 -0.418 31 H PHE 5 H PHE 5 -6.097 -0.697 -5.943 32 HA PHE 5 HA PHE 5 -6.818 1.336 -7.923 33 1HB PHE 5 HB2 PHE 5 -7.801 2.853 -6.170 34 2HB PHE 5 HB3 PHE 5 -8.779 1.588 -6.806 35 HD1 PHE 5 HD1 PHE 5 -10.383 1.277 -5.165 36 HD2 PHE 5 HD2 PHE 5 -6.230 1.248 -3.987 37 HE1 PHE 5 HE1 PHE 5 -11.039 0.507 -2.908 38 HE2 PHE 5 HE2 PHE 5 -6.892 0.548 -1.736 39 HZ PHE 5 HZ PHE 5 -9.280 0.206 -1.155 40 H VAL 6 H VAL 6 -4.430 -0.056 -6.315 41 HA VAL 6 HA VAL 6 -2.889 2.442 -6.060 42 HB VAL 6 HB VAL 6 -3.558 0.512 -3.886 43 1HG1 VAL 6 1HG1 VAL 6 -1.247 -0.133 -4.159 44 2HG1 VAL 6 2HG1 VAL 6 -0.722 1.585 -4.052 45 3HG1 VAL 6 3HG1 VAL 6 -1.492 0.777 -2.657 46 1HG2 VAL 6 1HG2 VAL 6 -3.221 2.485 -2.525 47 2HG2 VAL 6 2HG2 VAL 6 -2.598 3.379 -3.946 48 3HG2 VAL 6 3HG2 VAL 6 -4.284 2.838 -3.891 49 H TYR 7 H TYR 7 -0.722 2.199 -6.344 50 HA TYR 7 HA TYR 7 0.317 -0.193 -7.693 51 1HB TYR 7 HB2 TYR 7 -0.101 2.571 -8.921 52 2HB TYR 7 HB3 TYR 7 0.743 1.261 -9.701 53 HD1 TYR 7 HD1 TYR 7 -0.705 -0.922 -10.160 54 HD2 TYR 7 HD2 TYR 7 -2.453 2.822 -8.925 55 HE1 TYR 7 HE1 TYR 7 -2.914 -1.693 -10.967 56 HE2 TYR 7 HE2 TYR 7 -4.654 1.971 -9.454 57 HH TYR 7 HH TYR 7 -5.892 0.265 -10.457 58 H THR 8 H THR 8 2.524 0.945 -8.767 59 HA THR 8 HA THR 8 3.809 2.736 -6.802 60 HB THR 8 HB THR 8 5.881 1.146 -7.536 61 HG1 THR 8 HG1 THR 8 4.903 -0.415 -8.632 62 1HG2 THR 8 1HG2 THR 8 5.526 1.575 -5.269 63 2HG2 THR 8 2HG2 THR 8 3.955 0.720 -5.274 64 3HG2 THR 8 3HG2 THR 8 5.497 -0.171 -5.407 65 H CYS 9 H CYS 9 5.879 3.564 -7.843 66 HA CYS 9 HA CYS 9 5.804 3.733 -10.817 67 1HB CYS 9 HB2 CYS 9 5.537 6.036 -9.915 68 2HB CYS 9 HB3 CYS 9 6.861 5.766 -8.778 69 H ASN 10 H ASN 10 7.394 2.098 -11.207 70 HA ASN 10 HA ASN 10 9.236 1.372 -9.127 71 1HB ASN 10 HB2 ASN 10 8.302 -0.191 -10.884 72 2HB ASN 10 HB3 ASN 10 9.386 0.579 -12.055 73 1HD2 ASN 10 2HD2 ASN 10 10.945 -0.979 -12.368 74 2HD2 ASN 10 1HD2 ASN 10 11.837 -1.774 -11.077 75 H GLU 11 H GLU 11 9.218 4.163 -10.932 76 HA GLU 11 HA GLU 11 12.143 4.217 -10.989 77 1HB GLU 11 HB2 GLU 11 10.174 5.618 -12.555 78 2HB GLU 11 HB3 GLU 11 11.292 6.746 -11.757 79 1HG GLU 11 HG2 GLU 11 12.318 4.331 -13.282 80 2HG GLU 11 HG3 GLU 11 12.154 5.933 -13.991 81 H CYS 12 H CYS 12 9.369 5.318 -9.142 82 HA CYS 12 HA CYS 12 11.108 7.054 -7.471 83 1HB CYS 12 HB2 CYS 12 8.112 6.611 -7.322 84 2HB CYS 12 HB3 CYS 12 9.052 7.798 -6.417 85 H LYS 13 H LYS 13 9.551 4.009 -7.625 86 HA LYS 13 HA LYS 13 9.102 2.276 -6.265 87 1HB LYS 13 HB2 LYS 13 11.888 3.032 -5.235 88 2HB LYS 13 HB3 LYS 13 11.009 1.652 -4.635 89 1HG LYS 13 HG2 LYS 13 11.757 0.413 -6.291 90 2HG LYS 13 HG3 LYS 13 10.758 1.318 -7.396 91 1HD LYS 13 HD2 LYS 13 13.706 1.671 -6.851 92 2HD LYS 13 HD3 LYS 13 12.852 1.224 -8.340 93 1HE LYS 13 HE2 LYS 13 11.808 3.570 -8.211 94 2HE LYS 13 HE3 LYS 13 13.088 3.960 -7.056 95 1HZ LYS 13 HZ1 LYS 13 14.698 3.411 -8.867 96 2HZ LYS 13 HZ2 LYS 13 13.406 3.032 -9.838 97 3HZ LYS 13 HZ3 LYS 13 13.649 4.547 -9.359 98 H HIS 14 H HIS 14 7.803 4.464 -5.877 99 HA HIS 14 HA HIS 14 6.985 4.128 -3.069 100 1HB HIS 14 HB2 HIS 14 8.054 6.326 -3.207 101 2HB HIS 14 HB3 HIS 14 7.054 6.754 -4.600 102 HD2 HIS 14 HD2 HIS 14 4.895 8.042 -4.035 103 HE1 HIS 14 HE1 HIS 14 3.898 6.263 -0.315 104 HE2 HIS 14 HE2 HIS 14 3.112 7.829 -2.152 105 H HIS 15 H HIS 15 4.694 4.742 -2.950 106 HA HIS 15 HA HIS 15 3.117 3.230 -4.789 107 1HB HIS 15 HB2 HIS 15 1.988 2.999 -2.861 108 2HB HIS 15 HB3 HIS 15 2.925 4.280 -2.097 109 HD2 HIS 15 HD2 HIS 15 -0.287 3.779 -4.200 110 HE1 HIS 15 HE1 HIS 15 -0.638 7.574 -2.322 111 HE2 HIS 15 HE2 HIS 15 -1.821 5.840 -3.771 112 H VAL 16 H VAL 16 1.346 3.981 -6.024 113 HA VAL 16 HA VAL 16 0.823 6.806 -6.391 114 HB VAL 16 HB VAL 16 1.251 6.914 -8.735 115 1HG1 VAL 16 1HG1 VAL 16 3.555 6.323 -9.126 116 2HG1 VAL 16 2HG1 VAL 16 3.361 7.126 -7.558 117 3HG1 VAL 16 3HG1 VAL 16 3.651 5.360 -7.659 118 1HG2 VAL 16 1HG2 VAL 16 1.968 5.018 -10.138 119 2HG2 VAL 16 2HG2 VAL 16 1.767 3.890 -8.788 120 3HG2 VAL 16 3HG2 VAL 16 0.376 4.746 -9.488 121 H GLU 17 H GLU 17 -1.279 7.032 -7.695 122 HA GLU 17 HA GLU 17 -3.047 4.681 -7.141 123 1HB GLU 17 HB2 GLU 17 -4.849 6.512 -7.509 124 2HB GLU 17 HB3 GLU 17 -3.983 6.388 -5.969 125 1HG GLU 17 HG2 GLU 17 -4.307 8.749 -6.671 126 2HG GLU 17 HG3 GLU 17 -2.619 8.311 -6.451 127 H THR 18 H THR 18 -1.661 6.630 -9.615 128 HA THR 18 HA THR 18 -3.044 5.058 -11.724 129 HB THR 18 HB THR 18 -2.474 8.071 -11.611 130 HG1 THR 18 HG1 THR 18 -4.252 7.866 -10.528 131 1HG2 THR 18 1HG2 THR 18 -2.922 8.229 -13.821 132 2HG2 THR 18 2HG2 THR 18 -2.769 6.472 -13.966 133 3HG2 THR 18 3HG2 THR 18 -4.355 7.234 -13.700 134 H ARG 19 H ARG 19 -1.574 4.139 -13.141 135 HA ARG 19 HA ARG 19 1.185 5.240 -13.251 136 1HB ARG 19 HB2 ARG 19 2.277 3.153 -12.845 137 2HB ARG 19 HB3 ARG 19 1.206 3.391 -11.485 138 1HG ARG 19 HG2 ARG 19 -0.415 1.851 -12.376 139 2HG ARG 19 HG3 ARG 19 0.503 1.657 -13.896 140 1HD ARG 19 HD2 ARG 19 2.181 0.386 -12.976 141 2HD ARG 19 HD3 ARG 19 1.708 0.674 -11.327 142 HE ARG 19 HE ARG 19 -0.576 -0.356 -12.291 143 1HH1 ARG 19 1HH1 ARG 19 2.690 -1.747 -12.082 144 2HH1 ARG 19 2HH1 ARG 19 2.202 -3.287 -12.685 145 1HH2 ARG 19 2HH2 ARG 19 -1.162 -2.480 -13.170 146 2HH2 ARG 19 1HH2 ARG 19 0.079 -3.663 -13.295 147 H TRP 20 H TRP 20 2.429 4.208 -14.841 148 HA TRP 20 HA TRP 20 1.052 3.139 -17.267 149 1HB TRP 20 HB2 TRP 20 3.737 4.526 -16.882 150 2HB TRP 20 HB3 TRP 20 3.080 3.939 -18.416 151 HD1 TRP 20 HD1 TRP 20 2.550 6.722 -15.839 152 HE1 TRP 20 HE1 TRP 20 0.923 8.476 -16.707 153 HE3 TRP 20 HE3 TRP 20 1.306 4.508 -20.246 154 HZ2 TRP 20 HZ2 TRP 20 -0.719 8.899 -19.054 155 HZ3 TRP 20 HZ3 TRP 20 -0.313 5.592 -21.793 156 HH2 TRP 20 HH2 TRP 20 -1.345 7.787 -21.188 157 H HIS 21 H HIS 21 1.803 1.010 -17.730 158 HA HIS 21 HA HIS 21 3.703 -0.191 -15.792 159 1HB HIS 21 HB2 HIS 21 1.797 -0.770 -14.746 160 2HB HIS 21 HB3 HIS 21 0.803 -0.743 -16.184 161 HD2 HIS 21 HD2 HIS 21 3.893 -3.098 -16.080 162 HE1 HIS 21 HE1 HIS 21 0.429 -5.552 -15.935 163 HE2 HIS 21 HE2 HIS 21 2.996 -5.520 -16.171 164 H CYS 22 H CYS 22 5.228 -1.168 -16.815 165 HA CYS 22 HA CYS 22 5.334 -1.775 -19.624 166 1HB CYS 22 HB2 CYS 22 6.972 -1.813 -17.156 167 2HB CYS 22 HB3 CYS 22 7.411 -3.080 -18.292 168 H THR 23 H THR 23 4.424 -3.405 -20.583 169 HA THR 23 HA THR 23 3.911 -5.917 -19.085 170 HB THR 23 HB THR 23 2.284 -6.491 -20.942 171 HG1 THR 23 HG1 THR 23 3.340 -4.240 -21.923 172 1HG2 THR 23 1HG2 THR 23 1.920 -3.931 -19.405 173 2HG2 THR 23 2HG2 THR 23 0.584 -5.028 -19.950 174 3HG2 THR 23 3HG2 THR 23 1.721 -5.543 -18.700 175 H VAL 24 H VAL 24 6.349 -4.910 -20.346 176 HA VAL 24 HA VAL 24 7.404 -6.992 -22.098 177 HB VAL 24 HB VAL 24 7.610 -4.749 -22.833 178 1HG1 VAL 24 1HG1 VAL 24 7.082 -3.076 -21.569 179 2HG1 VAL 24 2HG1 VAL 24 7.547 -3.882 -20.096 180 3HG1 VAL 24 3HG1 VAL 24 8.789 -3.092 -20.992 181 1HG2 VAL 24 1HG2 VAL 24 9.995 -4.147 -22.736 182 2HG2 VAL 24 2HG2 VAL 24 10.203 -5.162 -21.300 183 3HG2 VAL 24 3HG2 VAL 24 9.855 -5.919 -22.880 184 H CYS 25 H CYS 25 8.275 -5.013 -19.309 185 HA CYS 25 HA CYS 25 10.095 -6.839 -18.030 186 1HB CYS 25 HB2 CYS 25 8.694 -4.444 -16.848 187 2HB CYS 25 HB3 CYS 25 10.315 -5.040 -16.475 188 H GLU 26 H GLU 26 9.729 -7.191 -15.571 189 HA GLU 26 HA GLU 26 7.207 -8.588 -15.150 190 1HB GLU 26 HB2 GLU 26 9.863 -8.456 -13.750 191 2HB GLU 26 HB3 GLU 26 8.430 -8.842 -12.795 192 1HG GLU 26 HG2 GLU 26 7.799 -10.635 -14.278 193 2HG GLU 26 HG3 GLU 26 9.221 -10.347 -15.300 194 H ASP 27 H ASP 27 5.678 -7.010 -15.112 195 HA ASP 27 HA ASP 27 4.374 -5.334 -14.398 196 1HB ASP 27 HB2 ASP 27 3.980 -7.291 -12.860 197 2HB ASP 27 HB3 ASP 27 5.027 -6.520 -11.666 198 H TYR 28 H TYR 28 6.897 -4.402 -14.812 199 HA TYR 28 HA TYR 28 7.786 -2.529 -12.835 200 1HB TYR 28 HB2 TYR 28 9.207 -3.433 -14.622 201 2HB TYR 28 HB3 TYR 28 8.228 -2.691 -15.863 202 HD1 TYR 28 HD1 TYR 28 11.236 -2.346 -14.116 203 HD2 TYR 28 HD2 TYR 28 8.021 -0.033 -15.806 204 HE1 TYR 28 HE1 TYR 28 12.621 -0.302 -13.974 205 HE2 TYR 28 HE2 TYR 28 9.406 1.994 -15.689 206 HH TYR 28 HH TYR 28 11.354 2.907 -14.859 207 H ASP 29 H ASP 29 7.327 -0.298 -12.680 208 HA ASP 29 HA ASP 29 4.900 0.609 -14.155 209 1HB ASP 29 HB2 ASP 29 5.463 1.671 -11.398 210 2HB ASP 29 HB3 ASP 29 3.951 1.338 -12.179 211 H LEU 30 H LEU 30 4.620 2.967 -14.163 212 HA LEU 30 HA LEU 30 6.782 4.613 -13.103 213 1HB LEU 30 HB2 LEU 30 5.774 4.702 -15.991 214 2HB LEU 30 HB3 LEU 30 6.636 6.004 -15.184 215 HG LEU 30 HG LEU 30 7.724 3.232 -15.815 216 1HD1 LEU 30 1HD1 LEU 30 9.275 4.436 -17.265 217 2HD1 LEU 30 2HD1 LEU 30 7.609 4.743 -17.764 218 3HD1 LEU 30 3HD1 LEU 30 8.516 5.979 -16.841 219 1HD2 LEU 30 1HD2 LEU 30 9.955 4.235 -15.012 220 2HD2 LEU 30 2HD2 LEU 30 9.039 5.642 -14.464 221 3HD2 LEU 30 3HD2 LEU 30 8.790 4.081 -13.685 222 H CYS 31 H CYS 31 5.882 6.409 -12.096 223 HA CYS 31 HA CYS 31 3.079 6.972 -12.256 224 1HB CYS 31 HB2 CYS 31 3.635 9.008 -11.058 225 2HB CYS 31 HB3 CYS 31 4.413 7.679 -10.257 226 H ILE 32 H ILE 32 2.388 9.157 -12.985 227 HA ILE 32 HA ILE 32 2.629 9.319 -15.748 228 HB ILE 32 HB ILE 32 1.890 11.633 -13.938 229 1HG1 ILE 32 2HG1 ILE 32 0.561 9.978 -12.970 230 2HG1 ILE 32 3HG1 ILE 32 -0.493 10.863 -14.028 231 1HG2 ILE 32 1HG2 ILE 32 0.365 12.156 -15.874 232 2HG2 ILE 32 2HG2 ILE 32 2.110 12.214 -16.232 233 3HG2 ILE 32 3HG2 ILE 32 1.157 10.813 -16.760 234 1HD1 ILE 32 1HD1 ILE 32 -0.540 9.017 -15.630 235 2HD1 ILE 32 2HD1 ILE 32 0.740 8.145 -14.739 236 3HD1 ILE 32 3HD1 ILE 32 -0.816 8.376 -13.991 237 H ASN 33 H ASN 33 4.369 11.246 -13.330 238 HA ASN 33 HA ASN 33 5.665 12.984 -15.157 239 1HB ASN 33 HB2 ASN 33 5.757 13.766 -12.927 240 2HB ASN 33 HB3 ASN 33 5.978 12.158 -12.251 241 1HD2 ASN 33 2HD2 ASN 33 8.110 11.388 -11.841 242 2HD2 ASN 33 1HD2 ASN 33 9.496 12.418 -12.112 243 H CYS 34 H CYS 34 6.739 9.919 -13.684 244 HA CYS 34 HA CYS 34 9.320 10.056 -14.948 245 1HB CYS 34 HB2 CYS 34 7.732 7.818 -13.644 246 2HB CYS 34 HB3 CYS 34 9.351 7.636 -14.372 247 H TYR 35 H TYR 35 6.213 8.492 -15.850 248 HA TYR 35 HA TYR 35 7.188 7.181 -18.143 249 1HB TYR 35 HB2 TYR 35 4.954 6.794 -17.235 250 2HB TYR 35 HB3 TYR 35 4.472 8.435 -17.636 251 HD1 TYR 35 HD1 TYR 35 5.873 5.346 -19.305 252 HD2 TYR 35 HD2 TYR 35 3.318 8.800 -19.621 253 HE1 TYR 35 HE1 TYR 35 5.274 4.658 -21.592 254 HE2 TYR 35 HE2 TYR 35 2.636 8.068 -21.920 255 HH TYR 35 HH TYR 35 4.041 5.124 -23.416 256 H ASN 36 H ASN 36 5.990 10.487 -17.649 257 HA ASN 36 HA ASN 36 6.193 11.522 -20.265 258 1HB ASN 36 HB2 ASN 36 5.814 12.611 -17.499 259 2HB ASN 36 HB3 ASN 36 6.428 13.752 -18.641 260 1HD2 ASN 36 2HD2 ASN 36 3.712 11.581 -18.035 261 2HD2 ASN 36 1HD2 ASN 36 2.576 12.416 -19.103 262 H THR 37 H THR 37 8.809 10.812 -18.094 263 HA THR 37 HA THR 37 10.556 12.654 -19.699 264 HB THR 37 HB THR 37 11.858 13.045 -17.621 265 HG1 THR 37 HG1 THR 37 9.576 12.222 -16.203 266 1HG2 THR 37 1HG2 THR 37 10.221 14.724 -18.440 267 2HG2 THR 37 2HG2 THR 37 8.974 13.969 -17.440 268 3HG2 THR 37 3HG2 THR 37 10.385 14.720 -16.673 269 H LYS 38 H LYS 38 10.621 9.851 -17.564 270 HA LYS 38 HA LYS 38 13.298 9.049 -18.192 271 1HB LYS 38 HB2 LYS 38 11.055 7.257 -17.216 272 2HB LYS 38 HB3 LYS 38 12.769 7.005 -16.986 273 1HG LYS 38 HG2 LYS 38 11.160 9.310 -15.763 274 2HG LYS 38 HG3 LYS 38 11.500 7.797 -14.955 275 1HD LYS 38 HD2 LYS 38 13.924 8.312 -14.956 276 2HD LYS 38 HD3 LYS 38 13.615 9.770 -15.911 277 1HE LYS 38 HE2 LYS 38 13.850 10.425 -13.568 278 2HE LYS 38 HE3 LYS 38 12.180 10.679 -14.103 279 1HZ LYS 38 HZ1 LYS 38 13.119 8.326 -12.604 280 2HZ LYS 38 HZ2 LYS 38 12.357 9.608 -11.885 281 3HZ LYS 38 HZ3 LYS 38 11.566 8.680 -12.954 282 H SER 39 H SER 39 10.466 8.882 -20.083 283 HA SER 39 HA SER 39 9.914 7.813 -21.994 284 1HB SER 39 HB2 SER 39 12.867 8.396 -22.483 285 2HB SER 39 HB3 SER 39 11.575 8.300 -23.695 286 HG SER 39 HG SER 39 11.995 10.250 -21.686 287 H HIS 40 H HIS 40 10.260 5.823 -20.170 288 HA HIS 40 HA HIS 40 11.878 3.615 -21.077 289 1HB HIS 40 HB2 HIS 40 10.846 4.219 -18.773 290 2HB HIS 40 HB3 HIS 40 9.372 3.466 -19.381 291 HD1 HIS 40 HD1 HIS 40 12.516 2.759 -17.566 292 HD2 HIS 40 HD2 HIS 40 9.757 0.722 -19.989 293 HE1 HIS 40 HE1 HIS 40 12.742 0.311 -16.959 294 H THR 41 H THR 41 11.458 3.585 -23.284 295 HA THR 41 HA THR 41 9.098 3.899 -24.595 296 HB THR 41 HB THR 41 11.244 2.317 -25.919 297 HG1 THR 41 HG1 THR 41 11.939 4.746 -24.656 298 1HG2 THR 41 1HG2 THR 41 9.607 3.635 -27.210 299 2HG2 THR 41 2HG2 THR 41 10.168 5.132 -26.425 300 3HG2 THR 41 3HG2 THR 41 11.253 4.224 -27.507 301 H HIS 42 H HIS 42 9.145 1.141 -22.733 302 HA HIS 42 HA HIS 42 8.812 -0.749 -24.926 303 1HB HIS 42 HB2 HIS 42 8.274 -1.072 -22.002 304 2HB HIS 42 HB3 HIS 42 8.598 -2.333 -23.230 305 HD2 HIS 42 HD2 HIS 42 11.329 -0.982 -24.439 306 HE1 HIS 42 HE1 HIS 42 12.764 -1.309 -20.441 307 HE2 HIS 42 HE2 HIS 42 13.444 -1.014 -22.873 308 H LYS 43 H LYS 43 6.943 -2.394 -24.692 309 HA LYS 43 HA LYS 43 4.530 -0.887 -25.146 310 1HB LYS 43 HB2 LYS 43 5.398 -3.037 -26.369 311 2HB LYS 43 HB3 LYS 43 4.643 -3.916 -25.050 312 1HG LYS 43 HG2 LYS 43 3.373 -1.838 -26.913 313 2HG LYS 43 HG3 LYS 43 3.214 -3.577 -27.135 314 1HD LYS 43 HD2 LYS 43 1.986 -1.790 -25.031 315 2HD LYS 43 HD3 LYS 43 1.146 -2.674 -26.288 316 1HE LYS 43 HE2 LYS 43 1.656 -4.816 -25.230 317 2HE LYS 43 HE3 LYS 43 2.684 -4.018 -24.049 318 1HZ LYS 43 HZ1 LYS 43 -0.236 -3.971 -24.155 319 2HZ LYS 43 HZ2 LYS 43 0.791 -4.252 -22.883 320 3HZ LYS 43 HZ3 LYS 43 0.590 -2.751 -23.427 321 H MET 44 H MET 44 3.503 -0.119 -23.569 322 HA MET 44 HA MET 44 3.283 -1.491 -20.913 323 1HB MET 44 HB2 MET 44 3.294 1.415 -21.847 324 2HB MET 44 HB3 MET 44 2.717 0.929 -20.242 325 1HG MET 44 HG2 MET 44 4.710 0.204 -19.512 326 2HG MET 44 HG3 MET 44 5.456 0.003 -21.077 327 1HE MET 44 HE1 MET 44 6.069 3.110 -17.960 328 2HE MET 44 HE2 MET 44 4.515 2.246 -18.006 329 3HE MET 44 HE3 MET 44 6.019 1.326 -17.944 330 H VAL 45 H VAL 45 1.296 -0.469 -19.761 331 HA VAL 45 HA VAL 45 -1.188 -0.236 -21.241 332 HB VAL 45 HB VAL 45 -2.158 -1.528 -19.295 333 1HG1 VAL 45 1HG1 VAL 45 -0.358 -3.308 -21.003 334 2HG1 VAL 45 2HG1 VAL 45 -1.941 -3.721 -20.296 335 3HG1 VAL 45 3HG1 VAL 45 -1.876 -2.547 -21.610 336 1HG2 VAL 45 1HG2 VAL 45 -0.373 -1.528 -17.762 337 2HG2 VAL 45 2HG2 VAL 45 -0.759 -3.230 -18.171 338 3HG2 VAL 45 3HG2 VAL 45 0.664 -2.477 -18.844 339 H LYS 46 H LYS 46 -2.708 0.692 -19.223 340 HA LYS 46 HA LYS 46 -1.140 2.363 -17.373 341 1HB LYS 46 HB2 LYS 46 -1.408 3.639 -19.538 342 2HB LYS 46 HB3 LYS 46 -3.148 3.563 -19.340 343 1HG LYS 46 HG2 LYS 46 -1.284 4.894 -17.274 344 2HG LYS 46 HG3 LYS 46 -1.880 5.676 -18.727 345 1HD LYS 46 HD2 LYS 46 -4.268 5.301 -17.865 346 2HD LYS 46 HD3 LYS 46 -3.511 4.772 -16.346 347 1HE LYS 46 HE2 LYS 46 -3.918 7.006 -15.991 348 2HE LYS 46 HE3 LYS 46 -2.177 6.925 -16.350 349 1HZ LYS 46 HZ1 LYS 46 -4.346 7.761 -18.167 350 2HZ LYS 46 HZ2 LYS 46 -3.322 8.712 -17.467 351 3HZ LYS 46 HZ3 LYS 46 -2.731 7.676 -18.618 352 H TRP 47 H TRP 47 -2.325 2.662 -15.540 353 HA TRP 47 HA TRP 47 -5.125 1.693 -15.472 354 1HB TRP 47 HB2 TRP 47 -3.036 1.037 -13.372 355 2HB TRP 47 HB3 TRP 47 -4.678 0.439 -13.477 356 HD1 TRP 47 HD1 TRP 47 -1.190 -0.347 -14.493 357 HE1 TRP 47 HE1 TRP 47 -1.035 -2.366 -16.032 358 HE3 TRP 47 HE3 TRP 47 -6.119 -0.699 -15.905 359 HZ2 TRP 47 HZ2 TRP 47 -2.765 -3.803 -17.861 360 HZ3 TRP 47 HZ3 TRP 47 -6.725 -2.202 -17.773 361 HH2 TRP 47 HH2 TRP 47 -5.086 -3.798 -18.690 362 H GLY 48 H GLY 48 -6.377 3.172 -14.192 363 1HA GLY 48 HA2 GLY 48 -4.882 5.262 -12.787 364 2HA GLY 48 HA3 GLY 48 -5.815 5.727 -14.244 365 H LEU 49 H LEU 49 -6.064 6.394 -11.450 366 HA LEU 49 HA LEU 49 -8.906 5.709 -11.094 367 1HB LEU 49 HB2 LEU 49 -6.766 4.459 -9.576 368 2HB LEU 49 HB3 LEU 49 -7.615 5.509 -8.502 369 HG LEU 49 HG LEU 49 -8.443 3.252 -8.465 370 1HD1 LEU 49 1HD1 LEU 49 -10.851 3.739 -8.573 371 2HD1 LEU 49 2HD1 LEU 49 -9.938 5.050 -7.812 372 3HD1 LEU 49 3HD1 LEU 49 -10.502 5.234 -9.488 373 1HD2 LEU 49 1HD2 LEU 49 -9.638 2.125 -10.142 374 2HD2 LEU 49 2HD2 LEU 49 -9.651 3.509 -11.245 375 3HD2 LEU 49 3HD2 LEU 49 -8.124 2.668 -10.880 376 H GLY 50 H GLY 50 -6.305 8.041 -10.602 377 1HA GLY 50 HA2 GLY 50 -8.351 9.894 -9.454 378 2HA GLY 50 HA3 GLY 50 -6.798 9.650 -8.628 379 H LEU 51 H LEU 51 -5.056 9.634 -10.960 380 HA LEU 51 HA LEU 51 -5.473 12.359 -12.093 381 1HB LEU 51 HB2 LEU 51 -2.994 11.165 -10.766 382 2HB LEU 51 HB3 LEU 51 -3.005 12.702 -11.631 383 HG LEU 51 HG LEU 51 -4.680 12.183 -9.144 384 1HD1 LEU 51 1HD1 LEU 51 -2.962 13.476 -7.921 385 2HD1 LEU 51 2HD1 LEU 51 -2.351 11.950 -8.558 386 3HD1 LEU 51 3HD1 LEU 51 -1.938 13.474 -9.382 387 1HD2 LEU 51 1HD2 LEU 51 -3.876 14.758 -10.581 388 2HD2 LEU 51 2HD2 LEU 51 -5.511 14.039 -10.513 389 3HD2 LEU 51 3HD2 LEU 51 -4.769 14.689 -9.048 390 H ASP 52 H ASP 52 -6.341 10.613 -13.696 391 HA ASP 52 HA ASP 52 -4.540 8.929 -15.096 392 1HB ASP 52 HB2 ASP 52 -7.103 8.835 -15.029 393 2HB ASP 52 HB3 ASP 52 -7.101 10.032 -16.314 Start of MODEL 16 1 1H GLY 1 H1 GLY 1 3.506 -3.742 -10.121 2 2H GLY 1 H2 GLY 1 3.661 -2.185 -9.700 3 3H GLY 1 H3 GLY 1 4.800 -3.300 -9.226 4 1HA GLY 1 HA2 GLY 1 3.053 -4.434 -7.933 5 2HA GLY 1 HA3 GLY 1 3.451 -2.781 -7.355 6 H GLN 2 H GLN 2 0.789 -4.195 -6.979 7 HA GLN 2 HA GLN 2 -0.891 -2.064 -7.996 8 1HB GLN 2 HB2 GLN 2 -2.413 -3.553 -9.229 9 2HB GLN 2 HB3 GLN 2 -0.834 -3.532 -9.967 10 1HG GLN 2 HG2 GLN 2 -1.838 -5.736 -8.137 11 2HG GLN 2 HG3 GLN 2 -1.904 -5.787 -9.907 12 1HE2 GLN 2 2HE2 GLN 2 0.312 -5.523 -11.067 13 2HE2 GLN 2 1HE2 GLN 2 1.694 -6.176 -10.263 14 H ASP 3 H ASP 3 -3.036 -2.246 -7.377 15 HA ASP 3 HA ASP 3 -4.137 -3.924 -5.305 16 1HB ASP 3 HB2 ASP 3 -3.104 -2.359 -3.794 17 2HB ASP 3 HB3 ASP 3 -3.408 -0.996 -4.892 18 H ARG 4 H ARG 4 -6.559 -2.908 -5.185 19 HA ARG 4 HA ARG 4 -7.515 -2.620 -7.872 20 1HB ARG 4 HB2 ARG 4 -9.704 -2.065 -6.813 21 2HB ARG 4 HB3 ARG 4 -8.996 -3.641 -6.477 22 1HG ARG 4 HG2 ARG 4 -10.106 -2.732 -4.517 23 2HG ARG 4 HG3 ARG 4 -8.385 -2.941 -4.199 24 1HD ARG 4 HD2 ARG 4 -8.021 -0.556 -4.372 25 2HD ARG 4 HD3 ARG 4 -9.640 -0.285 -5.009 26 HE ARG 4 HE ARG 4 -10.543 -0.395 -2.896 27 1HH1 ARG 4 1HH2 ARG 4 -7.067 -1.292 -2.664 28 2HH1 ARG 4 2HH2 ARG 4 -7.001 -1.208 -0.998 29 1HH2 ARG 4 1HH1 ARG 4 -10.459 -0.318 -0.622 30 2HH2 ARG 4 2HH1 ARG 4 -8.965 -0.585 0.221 31 H PHE 5 H PHE 5 -6.347 -0.121 -5.614 32 HA PHE 5 HA PHE 5 -6.635 1.719 -7.825 33 1HB PHE 5 HB2 PHE 5 -7.807 3.468 -6.668 34 2HB PHE 5 HB3 PHE 5 -8.792 2.054 -6.803 35 HD1 PHE 5 HD1 PHE 5 -10.300 3.164 -5.253 36 HD2 PHE 5 HD2 PHE 5 -6.366 1.898 -3.997 37 HE1 PHE 5 HE1 PHE 5 -10.972 3.384 -2.890 38 HE2 PHE 5 HE2 PHE 5 -7.007 2.149 -1.665 39 HZ PHE 5 HZ PHE 5 -9.327 2.841 -1.056 40 H VAL 6 H VAL 6 -4.513 0.414 -6.149 41 HA VAL 6 HA VAL 6 -2.841 2.801 -5.930 42 HB VAL 6 HB VAL 6 -3.654 0.936 -3.725 43 1HG1 VAL 6 1HG1 VAL 6 -1.587 1.154 -2.492 44 2HG1 VAL 6 2HG1 VAL 6 -1.355 0.181 -3.943 45 3HG1 VAL 6 3HG1 VAL 6 -0.752 1.862 -3.897 46 1HG2 VAL 6 1HG2 VAL 6 -2.705 3.812 -3.933 47 2HG2 VAL 6 2HG2 VAL 6 -4.347 3.240 -3.769 48 3HG2 VAL 6 3HG2 VAL 6 -3.222 2.993 -2.422 49 H TYR 7 H TYR 7 -0.688 2.342 -6.264 50 HA TYR 7 HA TYR 7 0.217 -0.170 -7.475 51 1HB TYR 7 HB2 TYR 7 -0.138 2.510 -8.914 52 2HB TYR 7 HB3 TYR 7 0.666 1.141 -9.602 53 HD1 TYR 7 HD1 TYR 7 -0.965 -1.007 -10.073 54 HD2 TYR 7 HD2 TYR 7 -2.422 2.824 -8.780 55 HE1 TYR 7 HE1 TYR 7 -3.263 -1.612 -10.838 56 HE2 TYR 7 HE2 TYR 7 -4.708 2.148 -9.321 57 HH TYR 7 HH TYR 7 -6.084 0.421 -10.206 58 H THR 8 H THR 8 2.469 0.887 -8.671 59 HA THR 8 HA THR 8 3.745 2.718 -6.743 60 HB THR 8 HB THR 8 5.860 1.147 -7.438 61 HG1 THR 8 HG1 THR 8 4.961 -0.410 -8.557 62 1HG2 THR 8 1HG2 THR 8 5.498 -0.208 -5.360 63 2HG2 THR 8 2HG2 THR 8 5.462 1.544 -5.190 64 3HG2 THR 8 3HG2 THR 8 3.924 0.611 -5.185 65 H CYS 9 H CYS 9 5.857 3.560 -7.766 66 HA CYS 9 HA CYS 9 5.852 3.737 -10.731 67 1HB CYS 9 HB2 CYS 9 5.536 6.034 -9.840 68 2HB CYS 9 HB3 CYS 9 6.832 5.791 -8.669 69 H ASN 10 H ASN 10 7.413 2.127 -11.083 70 HA ASN 10 HA ASN 10 9.223 1.320 -9.041 71 1HB ASN 10 HB2 ASN 10 8.301 -0.157 -10.880 72 2HB ASN 10 HB3 ASN 10 9.445 0.622 -11.986 73 1HD2 ASN 10 2HD2 ASN 10 11.102 -0.893 -12.284 74 2HD2 ASN 10 1HD2 ASN 10 11.884 -1.733 -10.947 75 H GLU 11 H GLU 11 9.257 4.176 -10.745 76 HA GLU 11 HA GLU 11 12.187 4.216 -10.732 77 1HB GLU 11 HB2 GLU 11 10.236 5.680 -12.338 78 2HB GLU 11 HB3 GLU 11 11.412 6.721 -11.572 79 1HG GLU 11 HG2 GLU 11 12.203 4.195 -13.118 80 2HG GLU 11 HG3 GLU 11 12.242 5.816 -13.806 81 H CYS 12 H CYS 12 9.390 5.354 -8.965 82 HA CYS 12 HA CYS 12 11.118 7.084 -7.249 83 1HB CYS 12 HB2 CYS 12 8.116 6.625 -7.086 84 2HB CYS 12 HB3 CYS 12 9.069 7.824 -6.216 85 H LYS 13 H LYS 13 9.551 4.033 -7.484 86 HA LYS 13 HA LYS 13 9.081 2.287 -6.149 87 1HB LYS 13 HB2 LYS 13 11.834 3.002 -5.069 88 2HB LYS 13 HB3 LYS 13 10.920 1.610 -4.502 89 1HG LYS 13 HG2 LYS 13 11.668 0.396 -6.203 90 2HG LYS 13 HG3 LYS 13 10.700 1.376 -7.284 91 1HD LYS 13 HD2 LYS 13 13.657 1.626 -6.633 92 2HD LYS 13 HD3 LYS 13 12.842 1.180 -8.147 93 1HE LYS 13 HE2 LYS 13 11.818 3.544 -8.057 94 2HE LYS 13 HE3 LYS 13 13.096 3.939 -6.903 95 1HZ LYS 13 HZ1 LYS 13 13.719 4.473 -9.157 96 2HZ LYS 13 HZ2 LYS 13 14.695 3.253 -8.666 97 3HZ LYS 13 HZ3 LYS 13 13.403 2.996 -9.680 98 H HIS 14 H HIS 14 7.740 4.327 -5.789 99 HA HIS 14 HA HIS 14 6.871 4.222 -2.995 100 1HB HIS 14 HB2 HIS 14 7.385 6.716 -4.663 101 2HB HIS 14 HB3 HIS 14 6.100 6.696 -3.478 102 HD2 HIS 14 HD2 HIS 14 9.690 7.471 -3.659 103 HE1 HIS 14 HE1 HIS 14 9.119 6.363 0.409 104 HE2 HIS 14 HE2 HIS 14 10.715 7.443 -1.250 105 H HIS 15 H HIS 15 4.624 4.894 -2.910 106 HA HIS 15 HA HIS 15 3.099 3.391 -4.828 107 1HB HIS 15 HB2 HIS 15 1.871 3.082 -2.980 108 2HB HIS 15 HB3 HIS 15 2.772 4.319 -2.098 109 HD2 HIS 15 HD2 HIS 15 -0.354 3.898 -4.313 110 HE1 HIS 15 HE1 HIS 15 -0.706 7.721 -2.485 111 HE2 HIS 15 HE2 HIS 15 -1.893 6.003 -3.949 112 H VAL 16 H VAL 16 1.249 4.131 -5.971 113 HA VAL 16 HA VAL 16 0.824 6.950 -6.486 114 HB VAL 16 HB VAL 16 1.207 6.846 -8.885 115 1HG1 VAL 16 1HG1 VAL 16 3.522 6.305 -9.209 116 2HG1 VAL 16 2HG1 VAL 16 3.293 7.294 -7.737 117 3HG1 VAL 16 3HG1 VAL 16 3.648 5.547 -7.627 118 1HG2 VAL 16 1HG2 VAL 16 0.412 4.613 -9.393 119 2HG2 VAL 16 2HG2 VAL 16 2.051 4.803 -10.030 120 3HG2 VAL 16 3HG2 VAL 16 1.795 3.866 -8.562 121 H GLU 17 H GLU 17 -1.364 7.096 -7.781 122 HA GLU 17 HA GLU 17 -3.037 4.713 -7.142 123 1HB GLU 17 HB2 GLU 17 -4.889 6.475 -7.448 124 2HB GLU 17 HB3 GLU 17 -3.949 6.463 -5.960 125 1HG GLU 17 HG2 GLU 17 -4.387 8.785 -6.816 126 2HG GLU 17 HG3 GLU 17 -2.679 8.412 -6.600 127 H THR 18 H THR 18 -1.736 6.554 -9.674 128 HA THR 18 HA THR 18 -3.109 4.964 -11.798 129 HB THR 18 HB THR 18 -2.440 7.940 -11.589 130 HG1 THR 18 HG1 THR 18 -4.336 7.716 -10.684 131 1HG2 THR 18 1HG2 THR 18 -4.051 7.228 -13.924 132 2HG2 THR 18 2HG2 THR 18 -2.718 8.334 -13.716 133 3HG2 THR 18 3HG2 THR 18 -2.379 6.609 -14.010 134 H ARG 19 H ARG 19 -1.584 4.145 -13.270 135 HA ARG 19 HA ARG 19 1.162 5.218 -13.288 136 1HB ARG 19 HB2 ARG 19 2.298 3.208 -12.754 137 2HB ARG 19 HB3 ARG 19 1.101 3.365 -11.476 138 1HG ARG 19 HG2 ARG 19 -0.371 1.759 -12.581 139 2HG ARG 19 HG3 ARG 19 0.781 1.595 -13.932 140 1HD ARG 19 HD2 ARG 19 2.276 0.356 -12.837 141 2HD ARG 19 HD3 ARG 19 1.792 0.858 -11.230 142 HE ARG 19 HE ARG 19 -0.429 -0.350 -11.855 143 1HH1 ARG 19 1HH2 ARG 19 2.803 -1.715 -12.062 144 2HH1 ARG 19 2HH2 ARG 19 2.302 -3.233 -12.666 145 1HH2 ARG 19 1HH1 ARG 19 -1.118 -2.424 -12.714 146 2HH2 ARG 19 2HH1 ARG 19 0.105 -3.590 -13.112 147 H TRP 20 H TRP 20 2.497 4.192 -14.829 148 HA TRP 20 HA TRP 20 1.205 3.096 -17.280 149 1HB TRP 20 HB2 TRP 20 3.849 4.505 -16.745 150 2HB TRP 20 HB3 TRP 20 3.352 3.786 -18.290 151 HD1 TRP 20 HD1 TRP 20 2.455 6.672 -15.929 152 HE1 TRP 20 HE1 TRP 20 0.717 8.168 -17.001 153 HE3 TRP 20 HE3 TRP 20 1.780 4.162 -20.337 154 HZ2 TRP 20 HZ2 TRP 20 -0.836 8.292 -19.383 155 HZ3 TRP 20 HZ3 TRP 20 0.158 5.029 -22.028 156 HH2 TRP 20 HH2 TRP 20 -1.173 7.068 -21.554 157 H HIS 21 H HIS 21 1.817 0.922 -17.645 158 HA HIS 21 HA HIS 21 3.732 -0.259 -15.674 159 1HB HIS 21 HB2 HIS 21 1.795 -0.782 -14.643 160 2HB HIS 21 HB3 HIS 21 0.833 -0.795 -16.101 161 HD2 HIS 21 HD2 HIS 21 3.901 -3.118 -15.950 162 HE1 HIS 21 HE1 HIS 21 0.525 -5.617 -15.367 163 HE2 HIS 21 HE2 HIS 21 3.017 -5.579 -15.749 164 H CYS 22 H CYS 22 5.266 -1.286 -16.708 165 HA CYS 22 HA CYS 22 5.224 -1.859 -19.536 166 1HB CYS 22 HB2 CYS 22 7.048 -1.799 -17.222 167 2HB CYS 22 HB3 CYS 22 7.381 -3.142 -18.321 168 H THR 23 H THR 23 4.337 -3.473 -20.440 169 HA THR 23 HA THR 23 3.956 -6.008 -18.911 170 HB THR 23 HB THR 23 2.229 -6.599 -20.685 171 HG1 THR 23 HG1 THR 23 3.113 -4.316 -21.748 172 1HG2 THR 23 1HG2 THR 23 1.871 -4.043 -19.161 173 2HG2 THR 23 2HG2 THR 23 0.549 -5.191 -19.581 174 3HG2 THR 23 3HG2 THR 23 1.767 -5.659 -18.386 175 H VAL 24 H VAL 24 6.288 -4.955 -20.283 176 HA VAL 24 HA VAL 24 7.316 -7.061 -22.030 177 HB VAL 24 HB VAL 24 7.336 -4.832 -22.862 178 1HG1 VAL 24 1HG1 VAL 24 6.975 -3.055 -21.770 179 2HG1 VAL 24 2HG1 VAL 24 7.334 -3.759 -20.220 180 3HG1 VAL 24 3HG1 VAL 24 8.652 -3.091 -21.122 181 1HG2 VAL 24 1HG2 VAL 24 10.062 -5.100 -21.536 182 2HG2 VAL 24 2HG2 VAL 24 9.578 -5.990 -23.010 183 3HG2 VAL 24 3HG2 VAL 24 9.712 -4.210 -23.022 184 H CYS 25 H CYS 25 8.183 -4.841 -19.372 185 HA CYS 25 HA CYS 25 10.200 -6.521 -18.158 186 1HB CYS 25 HB2 CYS 25 8.695 -4.215 -16.952 187 2HB CYS 25 HB3 CYS 25 10.322 -4.750 -16.531 188 H GLU 26 H GLU 26 9.903 -7.046 -15.726 189 HA GLU 26 HA GLU 26 7.408 -8.482 -15.320 190 1HB GLU 26 HB2 GLU 26 10.099 -8.397 -13.966 191 2HB GLU 26 HB3 GLU 26 8.692 -8.841 -12.996 192 1HG GLU 26 HG2 GLU 26 8.028 -10.532 -14.592 193 2HG GLU 26 HG3 GLU 26 9.401 -10.155 -15.626 194 H ASP 27 H ASP 27 5.885 -6.930 -15.202 195 HA ASP 27 HA ASP 27 4.551 -5.322 -14.375 196 1HB ASP 27 HB2 ASP 27 4.208 -7.275 -12.912 197 2HB ASP 27 HB3 ASP 27 5.327 -6.604 -11.741 198 H TYR 28 H TYR 28 7.092 -4.362 -14.841 199 HA TYR 28 HA TYR 28 7.974 -2.485 -12.814 200 1HB TYR 28 HB2 TYR 28 9.382 -3.326 -14.697 201 2HB TYR 28 HB3 TYR 28 8.382 -2.469 -15.836 202 HD1 TYR 28 HD1 TYR 28 11.350 -2.320 -13.940 203 HD2 TYR 28 HD2 TYR 28 8.249 0.142 -15.641 204 HE1 TYR 28 HE1 TYR 28 12.862 -0.361 -13.873 205 HE2 TYR 28 HE2 TYR 28 9.758 2.092 -15.591 206 HH TYR 28 HH TYR 28 13.116 1.895 -14.333 207 H ASP 29 H ASP 29 7.478 -0.273 -12.628 208 HA ASP 29 HA ASP 29 4.981 0.585 -14.018 209 1HB ASP 29 HB2 ASP 29 5.518 1.597 -11.269 210 2HB ASP 29 HB3 ASP 29 4.011 1.282 -12.061 211 H LEU 30 H LEU 30 4.669 2.937 -14.025 212 HA LEU 30 HA LEU 30 6.802 4.572 -12.920 213 1HB LEU 30 HB2 LEU 30 5.881 4.706 -15.827 214 2HB LEU 30 HB3 LEU 30 6.702 5.989 -14.989 215 HG LEU 30 HG LEU 30 7.832 3.203 -15.526 216 1HD1 LEU 30 1HD1 LEU 30 9.385 4.354 -17.041 217 2HD1 LEU 30 2HD1 LEU 30 7.712 4.683 -17.517 218 3HD1 LEU 30 3HD1 LEU 30 8.643 5.929 -16.646 219 1HD2 LEU 30 1HD2 LEU 30 10.032 4.183 -14.746 220 2HD2 LEU 30 2HD2 LEU 30 9.142 5.660 -14.288 221 3HD2 LEU 30 3HD2 LEU 30 8.848 4.142 -13.440 222 H CYS 31 H CYS 31 5.951 6.457 -12.012 223 HA CYS 31 HA CYS 31 3.135 6.985 -12.125 224 1HB CYS 31 HB2 CYS 31 3.691 9.053 -11.036 225 2HB CYS 31 HB3 CYS 31 4.474 7.747 -10.170 226 H ILE 32 H ILE 32 2.444 9.150 -12.972 227 HA ILE 32 HA ILE 32 2.759 9.206 -15.716 228 HB ILE 32 HB ILE 32 1.858 11.532 -13.992 229 1HG1 ILE 32 2HG1 ILE 32 0.600 9.763 -13.047 230 2HG1 ILE 32 3HG1 ILE 32 -0.449 10.556 -14.213 231 1HG2 ILE 32 1HG2 ILE 32 0.341 11.917 -15.975 232 2HG2 ILE 32 2HG2 ILE 32 2.082 12.116 -16.288 233 3HG2 ILE 32 3HG2 ILE 32 1.267 10.664 -16.844 234 1HD1 ILE 32 1HD1 ILE 32 1.043 7.936 -14.741 235 2HD1 ILE 32 2HD1 ILE 32 -0.621 8.090 -14.198 236 3HD1 ILE 32 3HD1 ILE 32 -0.155 8.770 -15.787 237 H ASN 33 H ASN 33 4.264 11.282 -13.291 238 HA ASN 33 HA ASN 33 5.578 13.033 -15.135 239 1HB ASN 33 HB2 ASN 33 5.307 13.902 -12.934 240 2HB ASN 33 HB3 ASN 33 5.782 12.381 -12.164 241 1HD2 ASN 33 2HD2 ASN 33 8.000 11.921 -11.732 242 2HD2 ASN 33 1HD2 ASN 33 9.236 13.139 -11.986 243 H CYS 34 H CYS 34 6.651 10.011 -13.507 244 HA CYS 34 HA CYS 34 9.334 10.176 -14.598 245 1HB CYS 34 HB2 CYS 34 7.707 8.004 -13.252 246 2HB CYS 34 HB3 CYS 34 9.259 7.656 -14.036 247 H TYR 35 H TYR 35 6.310 8.490 -15.648 248 HA TYR 35 HA TYR 35 7.482 7.248 -17.885 249 1HB TYR 35 HB2 TYR 35 5.192 6.762 -17.089 250 2HB TYR 35 HB3 TYR 35 4.673 8.362 -17.548 251 HD1 TYR 35 HD1 TYR 35 6.633 5.533 -19.140 252 HD2 TYR 35 HD2 TYR 35 3.392 8.352 -19.564 253 HE1 TYR 35 HE1 TYR 35 6.232 4.712 -21.419 254 HE2 TYR 35 HE2 TYR 35 2.948 7.490 -21.837 255 HH TYR 35 HH TYR 35 5.002 4.905 -23.297 256 H ASN 36 H ASN 36 6.098 10.494 -17.537 257 HA ASN 36 HA ASN 36 6.428 11.459 -20.154 258 1HB ASN 36 HB2 ASN 36 5.980 12.613 -17.419 259 2HB ASN 36 HB3 ASN 36 6.638 13.731 -18.568 260 1HD2 ASN 36 2HD2 ASN 36 3.939 11.490 -18.089 261 2HD2 ASN 36 1HD2 ASN 36 2.827 12.315 -19.187 262 H THR 37 H THR 37 9.016 10.801 -17.949 263 HA THR 37 HA THR 37 10.799 12.650 -19.504 264 HB THR 37 HB THR 37 12.104 12.775 -17.342 265 HG1 THR 37 HG1 THR 37 9.697 12.098 -16.072 266 1HG2 THR 37 1HG2 THR 37 9.297 13.975 -17.267 267 2HG2 THR 37 2HG2 THR 37 10.700 14.545 -16.320 268 3HG2 THR 37 3HG2 THR 37 10.713 14.679 -18.077 269 H LYS 38 H LYS 38 10.656 9.677 -17.582 270 HA LYS 38 HA LYS 38 13.263 8.700 -18.263 271 1HB LYS 38 HB2 LYS 38 10.853 7.152 -17.275 272 2HB LYS 38 HB3 LYS 38 12.543 6.685 -17.113 273 1HG LYS 38 HG2 LYS 38 11.340 9.151 -15.747 274 2HG LYS 38 HG3 LYS 38 11.409 7.564 -15.013 275 1HD LYS 38 HD2 LYS 38 13.866 7.687 -14.996 276 2HD LYS 38 HD3 LYS 38 13.816 9.168 -15.955 277 1HE LYS 38 HE2 LYS 38 14.186 9.806 -13.673 278 2HE LYS 38 HE3 LYS 38 12.584 10.342 -14.140 279 1HZ LYS 38 HZ1 LYS 38 12.685 9.284 -11.914 280 2HZ LYS 38 HZ2 LYS 38 11.655 8.512 -12.901 281 3HZ LYS 38 HZ3 LYS 38 13.160 7.900 -12.603 282 H SER 39 H SER 39 10.621 9.020 -20.296 283 HA SER 39 HA SER 39 9.925 8.067 -22.175 284 1HB SER 39 HB2 SER 39 12.931 8.000 -22.633 285 2HB SER 39 HB3 SER 39 11.680 8.202 -23.867 286 HG SER 39 HG SER 39 12.404 10.024 -21.796 287 H HIS 40 H HIS 40 9.595 6.003 -20.538 288 HA HIS 40 HA HIS 40 11.013 3.601 -21.242 289 1HB HIS 40 HB2 HIS 40 9.105 4.404 -19.314 290 2HB HIS 40 HB3 HIS 40 8.268 3.225 -20.308 291 HD1 HIS 40 HD1 HIS 40 11.270 3.457 -17.907 292 HD2 HIS 40 HD2 HIS 40 9.249 0.751 -20.380 293 HE1 HIS 40 HE1 HIS 40 12.120 1.115 -17.266 294 H THR 41 H THR 41 11.080 3.008 -23.247 295 HA THR 41 HA THR 41 9.057 3.782 -25.093 296 HB THR 41 HB THR 41 11.293 2.089 -26.062 297 HG1 THR 41 HG1 THR 41 11.948 4.368 -24.527 298 1HG2 THR 41 1HG2 THR 41 10.503 4.990 -26.552 299 2HG2 THR 41 2HG2 THR 41 11.739 4.072 -27.464 300 3HG2 THR 41 3HG2 THR 41 10.041 3.609 -27.549 301 H HIS 42 H HIS 42 8.880 1.072 -23.170 302 HA HIS 42 HA HIS 42 8.493 -0.906 -25.265 303 1HB HIS 42 HB2 HIS 42 7.983 -1.069 -22.293 304 2HB HIS 42 HB3 HIS 42 8.300 -2.389 -23.433 305 HD2 HIS 42 HD2 HIS 42 11.008 -1.254 -24.768 306 HE1 HIS 42 HE1 HIS 42 12.499 -1.251 -20.779 307 HE2 HIS 42 HE2 HIS 42 13.154 -1.175 -23.249 308 H LYS 43 H LYS 43 6.606 -2.491 -24.975 309 HA LYS 43 HA LYS 43 4.165 -0.984 -25.259 310 1HB LYS 43 HB2 LYS 43 4.714 -3.088 -26.630 311 2HB LYS 43 HB3 LYS 43 4.379 -4.022 -25.192 312 1HG LYS 43 HG2 LYS 43 2.164 -2.244 -25.440 313 2HG LYS 43 HG3 LYS 43 2.583 -2.615 -27.094 314 1HD LYS 43 HD2 LYS 43 0.918 -4.196 -26.418 315 2HD LYS 43 HD3 LYS 43 2.437 -5.067 -26.495 316 1HE LYS 43 HE2 LYS 43 1.341 -5.790 -24.463 317 2HE LYS 43 HE3 LYS 43 2.682 -4.733 -24.007 318 1HZ LYS 43 HZ1 LYS 43 0.894 -4.180 -22.718 319 2HZ LYS 43 HZ2 LYS 43 1.013 -2.937 -23.719 320 3HZ LYS 43 HZ3 LYS 43 -0.186 -4.026 -23.946 321 H MET 44 H MET 44 3.893 -0.012 -23.270 322 HA MET 44 HA MET 44 3.444 -1.571 -20.813 323 1HB MET 44 HB2 MET 44 3.313 1.375 -21.689 324 2HB MET 44 HB3 MET 44 2.734 0.880 -20.099 325 1HG MET 44 HG2 MET 44 4.725 0.142 -19.362 326 2HG MET 44 HG3 MET 44 5.467 -0.007 -20.939 327 1HE MET 44 HE1 MET 44 6.279 1.191 -17.962 328 2HE MET 44 HE2 MET 44 6.257 2.963 -17.797 329 3HE MET 44 HE3 MET 44 4.747 2.030 -17.705 330 H VAL 45 H VAL 45 1.368 -0.593 -19.662 331 HA VAL 45 HA VAL 45 -1.098 -0.452 -21.214 332 HB VAL 45 HB VAL 45 -2.107 -1.593 -19.237 333 1HG1 VAL 45 1HG1 VAL 45 -0.334 -3.464 -20.867 334 2HG1 VAL 45 2HG1 VAL 45 -1.921 -3.813 -20.126 335 3HG1 VAL 45 3HG1 VAL 45 -1.842 -2.717 -21.483 336 1HG2 VAL 45 1HG2 VAL 45 0.705 -2.541 -18.695 337 2HG2 VAL 45 2HG2 VAL 45 -0.356 -1.499 -17.696 338 3HG2 VAL 45 3HG2 VAL 45 -0.722 -3.230 -17.961 339 H LYS 46 H LYS 46 -2.660 0.615 -19.290 340 HA LYS 46 HA LYS 46 -1.155 2.444 -17.533 341 1HB LYS 46 HB2 LYS 46 -1.340 3.751 -19.558 342 2HB LYS 46 HB3 LYS 46 -3.036 3.354 -19.768 343 1HG LYS 46 HG2 LYS 46 -2.014 4.911 -17.349 344 2HG LYS 46 HG3 LYS 46 -2.404 5.676 -18.892 345 1HD LYS 46 HD2 LYS 46 -4.749 4.628 -18.688 346 2HD LYS 46 HD3 LYS 46 -4.308 4.279 -17.019 347 1HE LYS 46 HE2 LYS 46 -5.595 6.276 -17.061 348 2HE LYS 46 HE3 LYS 46 -3.963 6.668 -16.542 349 1HZ LYS 46 HZ1 LYS 46 -4.811 7.133 -19.332 350 2HZ LYS 46 HZ2 LYS 46 -4.927 8.221 -18.086 351 3HZ LYS 46 HZ3 LYS 46 -3.503 7.722 -18.478 352 H TRP 47 H TRP 47 -2.253 2.576 -15.654 353 HA TRP 47 HA TRP 47 -5.058 1.590 -15.547 354 1HB TRP 47 HB2 TRP 47 -2.892 1.107 -13.461 355 2HB TRP 47 HB3 TRP 47 -4.540 0.452 -13.473 356 HD1 TRP 47 HD1 TRP 47 -1.087 -0.370 -14.501 357 HE1 TRP 47 HE1 TRP 47 -0.993 -2.462 -15.944 358 HE3 TRP 47 HE3 TRP 47 -5.992 -0.639 -15.879 359 HZ2 TRP 47 HZ2 TRP 47 -2.751 -3.870 -17.795 360 HZ3 TRP 47 HZ3 TRP 47 -6.665 -2.219 -17.691 361 HH2 TRP 47 HH2 TRP 47 -5.078 -3.859 -18.595 362 H GLY 48 H GLY 48 -6.220 3.396 -15.000 363 1HA GLY 48 HA2 GLY 48 -4.853 5.400 -13.307 364 2HA GLY 48 HA3 GLY 48 -5.527 5.913 -14.876 365 H LEU 49 H LEU 49 -6.057 6.568 -12.096 366 HA LEU 49 HA LEU 49 -8.996 6.211 -12.048 367 1HB LEU 49 HB2 LEU 49 -7.123 5.430 -9.774 368 2HB LEU 49 HB3 LEU 49 -8.835 5.645 -9.546 369 HG LEU 49 HG LEU 49 -7.591 3.607 -11.469 370 1HD1 LEU 49 1HD1 LEU 49 -9.015 3.266 -8.825 371 2HD1 LEU 49 2HD1 LEU 49 -8.259 1.978 -9.808 372 3HD1 LEU 49 3HD1 LEU 49 -7.235 3.222 -9.092 373 1HD2 LEU 49 1HD2 LEU 49 -9.838 2.679 -11.647 374 2HD2 LEU 49 2HD2 LEU 49 -10.512 4.003 -10.650 375 3HD2 LEU 49 3HD2 LEU 49 -9.874 4.291 -12.290 376 H GLY 50 H GLY 50 -6.492 8.453 -11.944 377 1HA GLY 50 HA2 GLY 50 -8.306 10.515 -11.221 378 2HA GLY 50 HA3 GLY 50 -7.309 10.158 -9.810 379 H LEU 51 H LEU 51 -4.778 9.680 -11.186 380 HA LEU 51 HA LEU 51 -4.123 12.466 -11.544 381 1HB LEU 51 HB2 LEU 51 -2.942 10.750 -10.119 382 2HB LEU 51 HB3 LEU 51 -2.335 9.999 -11.590 383 HG LEU 51 HG LEU 51 -0.939 11.940 -12.085 384 1HD1 LEU 51 1HD1 LEU 51 -0.748 13.761 -10.388 385 2HD1 LEU 51 2HD1 LEU 51 -2.323 13.747 -11.191 386 3HD1 LEU 51 3HD1 LEU 51 -2.157 13.098 -9.531 387 1HD2 LEU 51 1HD2 LEU 51 -0.108 10.110 -10.605 388 2HD2 LEU 51 2HD2 LEU 51 0.580 11.691 -10.121 389 3HD2 LEU 51 3HD2 LEU 51 -0.762 10.951 -9.216 390 H ASP 52 H ASP 52 -4.796 9.934 -13.804 391 HA ASP 52 HA ASP 52 -4.406 11.500 -16.137 392 1HB ASP 52 HB2 ASP 52 -2.126 11.149 -16.274 393 2HB ASP 52 HB3 ASP 52 -2.199 9.725 -15.245 Start of MODEL 17 1 1H GLY 1 H1 GLY 1 4.295 -2.260 -9.905 2 2H GLY 1 H2 GLY 1 5.477 -3.330 -9.484 3 3H GLY 1 H3 GLY 1 4.100 -3.852 -10.205 4 1HA GLY 1 HA2 GLY 1 3.926 -4.382 -7.897 5 2HA GLY 1 HA3 GLY 1 4.344 -2.701 -7.508 6 H GLN 2 H GLN 2 1.803 -4.394 -6.939 7 HA GLN 2 HA GLN 2 -0.125 -2.343 -7.791 8 1HB GLN 2 HB2 GLN 2 -1.620 -3.978 -8.708 9 2HB GLN 2 HB3 GLN 2 -0.128 -4.077 -9.586 10 1HG GLN 2 HG2 GLN 2 -0.967 -6.024 -7.375 11 2HG GLN 2 HG3 GLN 2 -1.115 -6.317 -9.091 12 1HE2 GLN 2 2HE2 GLN 2 0.952 -6.234 -10.454 13 2HE2 GLN 2 1HE2 GLN 2 2.418 -6.709 -9.705 14 H ASP 3 H ASP 3 -2.192 -2.730 -6.959 15 HA ASP 3 HA ASP 3 -2.990 -4.208 -4.649 16 1HB ASP 3 HB2 ASP 3 -1.954 -2.343 -3.464 17 2HB ASP 3 HB3 ASP 3 -2.682 -1.155 -4.561 18 H ARG 4 H ARG 4 -5.480 -3.790 -4.641 19 HA ARG 4 HA ARG 4 -6.405 -3.821 -7.344 20 1HB ARG 4 HB2 ARG 4 -8.733 -3.560 -6.247 21 2HB ARG 4 HB3 ARG 4 -7.803 -5.025 -6.100 22 1HG ARG 4 HG2 ARG 4 -8.865 -4.525 -3.989 23 2HG ARG 4 HG3 ARG 4 -7.123 -4.505 -3.829 24 1HD ARG 4 HD2 ARG 4 -7.717 -1.823 -4.325 25 2HD ARG 4 HD3 ARG 4 -9.074 -2.358 -3.322 26 HE ARG 4 HE ARG 4 -6.226 -2.106 -2.704 27 1HH1 ARG 4 1HH2 ARG 4 -9.313 -3.069 -1.338 28 2HH1 ARG 4 2HH2 ARG 4 -8.678 -3.536 0.208 29 1HH2 ARG 4 1HH1 ARG 4 -5.345 -2.801 -0.901 30 2HH2 ARG 4 2HH1 ARG 4 -6.223 -3.237 0.542 31 H PHE 5 H PHE 5 -5.778 -0.994 -5.403 32 HA PHE 5 HA PHE 5 -6.610 0.526 -7.753 33 1HB PHE 5 HB2 PHE 5 -7.784 2.286 -6.325 34 2HB PHE 5 HB3 PHE 5 -8.635 0.811 -6.689 35 HD1 PHE 5 HD1 PHE 5 -6.102 1.271 -3.898 36 HD2 PHE 5 HD2 PHE 5 -10.232 0.744 -5.002 37 HE1 PHE 5 HE1 PHE 5 -6.690 0.919 -1.518 38 HE2 PHE 5 HE2 PHE 5 -10.827 0.471 -2.602 39 HZ PHE 5 HZ PHE 5 -9.072 0.546 -0.858 40 H VAL 6 H VAL 6 -4.203 -0.126 -5.771 41 HA VAL 6 HA VAL 6 -2.927 2.530 -6.105 42 HB VAL 6 HB VAL 6 -3.373 0.854 -3.647 43 1HG1 VAL 6 1HG1 VAL 6 -0.951 0.690 -3.802 44 2HG1 VAL 6 2HG1 VAL 6 -0.837 2.481 -3.986 45 3HG1 VAL 6 3HG1 VAL 6 -1.424 1.739 -2.483 46 1HG2 VAL 6 1HG2 VAL 6 -4.473 3.052 -4.056 47 2HG2 VAL 6 2HG2 VAL 6 -3.495 3.018 -2.571 48 3HG2 VAL 6 3HG2 VAL 6 -2.868 3.816 -4.029 49 H TYR 7 H TYR 7 -0.608 2.257 -6.359 50 HA TYR 7 HA TYR 7 0.468 -0.377 -7.122 51 1HB TYR 7 HB2 TYR 7 0.161 1.971 -9.006 52 2HB TYR 7 HB3 TYR 7 0.907 0.397 -9.338 53 HD1 TYR 7 HD1 TYR 7 -0.495 -1.545 -9.855 54 HD2 TYR 7 HD2 TYR 7 -2.302 2.226 -8.831 55 HE1 TYR 7 HE1 TYR 7 -2.729 -2.419 -10.559 56 HE2 TYR 7 HE2 TYR 7 -4.502 1.325 -9.308 57 HH TYR 7 HH TYR 7 -5.708 -0.500 -10.167 58 H THR 8 H THR 8 2.688 0.708 -8.514 59 HA THR 8 HA THR 8 3.821 2.710 -6.629 60 HB THR 8 HB THR 8 5.987 1.260 -7.313 61 HG1 THR 8 HG1 THR 8 5.114 -0.342 -8.497 62 1HG2 THR 8 1HG2 THR 8 5.304 1.637 -5.009 63 2HG2 THR 8 2HG2 THR 8 4.043 0.388 -5.153 64 3HG2 THR 8 3HG2 THR 8 5.777 -0.037 -5.233 65 H CYS 9 H CYS 9 5.707 3.855 -7.594 66 HA CYS 9 HA CYS 9 5.666 3.888 -10.602 67 1HB CYS 9 HB2 CYS 9 5.477 6.200 -9.761 68 2HB CYS 9 HB3 CYS 9 6.808 5.914 -8.623 69 H ASN 10 H ASN 10 7.283 2.277 -11.071 70 HA ASN 10 HA ASN 10 9.087 1.484 -8.990 71 1HB ASN 10 HB2 ASN 10 8.126 -0.007 -10.815 72 2HB ASN 10 HB3 ASN 10 9.344 0.717 -11.880 73 1HD2 ASN 10 2HD2 ASN 10 10.877 -0.868 -12.070 74 2HD2 ASN 10 1HD2 ASN 10 11.625 -1.707 -10.703 75 H GLU 11 H GLU 11 9.132 4.314 -10.724 76 HA GLU 11 HA GLU 11 12.051 4.351 -10.636 77 1HB GLU 11 HB2 GLU 11 10.180 5.832 -12.275 78 2HB GLU 11 HB3 GLU 11 11.245 6.923 -11.377 79 1HG GLU 11 HG2 GLU 11 12.334 4.563 -12.967 80 2HG GLU 11 HG3 GLU 11 12.251 6.210 -13.575 81 H CYS 12 H CYS 12 9.196 5.459 -8.936 82 HA CYS 12 HA CYS 12 10.852 7.271 -7.220 83 1HB CYS 12 HB2 CYS 12 7.848 6.732 -7.061 84 2HB CYS 12 HB3 CYS 12 8.789 7.951 -6.208 85 H LYS 13 H LYS 13 9.432 4.151 -7.351 86 HA LYS 13 HA LYS 13 8.994 2.461 -5.918 87 1HB LYS 13 HB2 LYS 13 11.748 3.280 -4.944 88 2HB LYS 13 HB3 LYS 13 10.863 1.932 -4.242 89 1HG LYS 13 HG2 LYS 13 11.616 0.604 -5.874 90 2HG LYS 13 HG3 LYS 13 10.601 1.478 -7.005 91 1HD LYS 13 HD2 LYS 13 13.554 1.782 -6.564 92 2HD LYS 13 HD3 LYS 13 12.613 1.345 -8.008 93 1HE LYS 13 HE2 LYS 13 11.648 3.660 -7.977 94 2HE LYS 13 HE3 LYS 13 12.859 4.096 -6.769 95 1HZ LYS 13 HZ1 LYS 13 13.576 4.621 -9.014 96 2HZ LYS 13 HZ2 LYS 13 14.571 3.471 -8.456 97 3HZ LYS 13 HZ3 LYS 13 13.338 3.115 -9.512 98 H HIS 14 H HIS 14 7.564 4.475 -5.619 99 HA HIS 14 HA HIS 14 6.720 4.498 -2.808 100 1HB HIS 14 HB2 HIS 14 7.828 6.597 -3.058 101 2HB HIS 14 HB3 HIS 14 7.134 6.875 -4.664 102 HD2 HIS 14 HD2 HIS 14 5.224 8.477 -4.784 103 HE1 HIS 14 HE1 HIS 14 3.269 7.622 -1.112 104 HE2 HIS 14 HE2 HIS 14 3.128 8.930 -3.274 105 H HIS 15 H HIS 15 4.401 5.031 -2.720 106 HA HIS 15 HA HIS 15 2.996 3.428 -4.636 107 1HB HIS 15 HB2 HIS 15 2.245 4.886 -2.069 108 2HB HIS 15 HB3 HIS 15 0.995 4.215 -3.112 109 HD2 HIS 15 HD2 HIS 15 1.196 1.478 -3.687 110 HE1 HIS 15 HE1 HIS 15 3.071 0.596 0.022 111 HE2 HIS 15 HE2 HIS 15 1.886 -0.402 -1.982 112 H VAL 16 H VAL 16 1.291 4.036 -5.979 113 HA VAL 16 HA VAL 16 0.634 6.872 -6.387 114 HB VAL 16 HB VAL 16 1.179 6.765 -8.761 115 1HG1 VAL 16 1HG1 VAL 16 3.586 6.547 -8.804 116 2HG1 VAL 16 2HG1 VAL 16 3.097 7.349 -7.311 117 3HG1 VAL 16 3HG1 VAL 16 3.615 5.639 -7.300 118 1HG2 VAL 16 1HG2 VAL 16 2.305 4.767 -9.813 119 2HG2 VAL 16 2HG2 VAL 16 1.966 3.852 -8.334 120 3HG2 VAL 16 3HG2 VAL 16 0.648 4.454 -9.332 121 H GLU 17 H GLU 17 -1.490 7.046 -7.358 122 HA GLU 17 HA GLU 17 -3.197 4.638 -7.190 123 1HB GLU 17 HB2 GLU 17 -5.029 6.155 -7.275 124 2HB GLU 17 HB3 GLU 17 -3.848 6.770 -6.116 125 1HG GLU 17 HG2 GLU 17 -4.569 7.876 -8.844 126 2HG GLU 17 HG3 GLU 17 -4.747 8.701 -7.336 127 H THR 18 H THR 18 -1.704 6.686 -9.578 128 HA THR 18 HA THR 18 -3.021 5.236 -11.822 129 HB THR 18 HB THR 18 -2.064 8.113 -11.675 130 HG1 THR 18 HG1 THR 18 -3.618 8.164 -10.450 131 1HG2 THR 18 1HG2 THR 18 -2.583 6.755 -14.027 132 2HG2 THR 18 2HG2 THR 18 -4.220 7.337 -13.600 133 3HG2 THR 18 3HG2 THR 18 -2.918 8.477 -13.772 134 H ARG 19 H ARG 19 -1.527 4.313 -13.304 135 HA ARG 19 HA ARG 19 1.263 5.283 -13.349 136 1HB ARG 19 HB2 ARG 19 2.300 3.360 -12.672 137 2HB ARG 19 HB3 ARG 19 0.973 3.455 -11.541 138 1HG ARG 19 HG2 ARG 19 -0.207 1.822 -13.388 139 2HG ARG 19 HG3 ARG 19 1.478 1.511 -13.826 140 1HD ARG 19 HD2 ARG 19 1.394 1.434 -11.028 141 2HD ARG 19 HD3 ARG 19 -0.146 0.691 -11.534 142 HE ARG 19 HE ARG 19 2.600 -0.305 -11.807 143 1HH1 ARG 19 1HH2 ARG 19 -0.834 -1.277 -12.280 144 2HH1 ARG 19 2HH2 ARG 19 -0.324 -2.812 -12.898 145 1HH2 ARG 19 1HH1 ARG 19 3.081 -2.286 -12.294 146 2HH2 ARG 19 2HH1 ARG 19 1.977 -3.513 -12.697 147 H TRP 20 H TRP 20 2.564 4.238 -14.897 148 HA TRP 20 HA TRP 20 1.281 3.115 -17.335 149 1HB TRP 20 HB2 TRP 20 3.903 4.566 -16.807 150 2HB TRP 20 HB3 TRP 20 3.428 3.883 -18.377 151 HD1 TRP 20 HD1 TRP 20 2.517 6.714 -15.953 152 HE1 TRP 20 HE1 TRP 20 0.690 8.188 -16.917 153 HE3 TRP 20 HE3 TRP 20 1.763 4.287 -20.393 154 HZ2 TRP 20 HZ2 TRP 20 -0.904 8.340 -19.304 155 HZ3 TRP 20 HZ3 TRP 20 0.063 5.136 -22.016 156 HH2 TRP 20 HH2 TRP 20 -1.316 7.130 -21.430 157 H HIS 21 H HIS 21 1.850 0.986 -17.675 158 HA HIS 21 HA HIS 21 3.846 -0.211 -15.802 159 1HB HIS 21 HB2 HIS 21 1.908 -0.634 -14.677 160 2HB HIS 21 HB3 HIS 21 0.915 -0.712 -16.107 161 HD2 HIS 21 HD2 HIS 21 3.928 -3.116 -15.973 162 HE1 HIS 21 HE1 HIS 21 0.471 -5.423 -15.154 163 HE2 HIS 21 HE2 HIS 21 2.953 -5.509 -15.686 164 H CYS 22 H CYS 22 5.296 -1.315 -16.797 165 HA CYS 22 HA CYS 22 5.220 -1.920 -19.603 166 1HB CYS 22 HB2 CYS 22 7.068 -1.884 -17.304 167 2HB CYS 22 HB3 CYS 22 7.378 -3.228 -18.396 168 H THR 23 H THR 23 4.378 -3.556 -20.538 169 HA THR 23 HA THR 23 3.898 -6.057 -18.991 170 HB THR 23 HB THR 23 2.080 -6.645 -20.580 171 HG1 THR 23 HG1 THR 23 3.003 -4.377 -21.782 172 1HG2 THR 23 1HG2 THR 23 1.899 -3.962 -19.228 173 2HG2 THR 23 2HG2 THR 23 0.531 -5.062 -19.607 174 3HG2 THR 23 3HG2 THR 23 1.718 -5.514 -18.387 175 H VAL 24 H VAL 24 6.224 -5.034 -20.387 176 HA VAL 24 HA VAL 24 7.206 -7.128 -22.179 177 HB VAL 24 HB VAL 24 7.194 -4.893 -22.986 178 1HG1 VAL 24 1HG1 VAL 24 7.305 -3.885 -20.331 179 2HG1 VAL 24 2HG1 VAL 24 8.575 -3.175 -21.295 180 3HG1 VAL 24 3HG1 VAL 24 6.867 -3.147 -21.848 181 1HG2 VAL 24 1HG2 VAL 24 9.580 -4.255 -23.198 182 2HG2 VAL 24 2HG2 VAL 24 9.987 -5.217 -21.774 183 3HG2 VAL 24 3HG2 VAL 24 9.420 -6.031 -23.248 184 H CYS 25 H CYS 25 8.173 -4.951 -19.523 185 HA CYS 25 HA CYS 25 10.213 -6.668 -18.415 186 1HB CYS 25 HB2 CYS 25 8.797 -4.286 -17.131 187 2HB CYS 25 HB3 CYS 25 10.415 -4.882 -16.768 188 H GLU 26 H GLU 26 10.028 -7.094 -15.946 189 HA GLU 26 HA GLU 26 7.593 -8.617 -15.372 190 1HB GLU 26 HB2 GLU 26 10.327 -8.376 -14.175 191 2HB GLU 26 HB3 GLU 26 8.998 -8.802 -13.086 192 1HG GLU 26 HG2 GLU 26 8.302 -10.618 -14.576 193 2HG GLU 26 HG3 GLU 26 9.666 -10.269 -15.649 194 H ASP 27 H ASP 27 6.057 -7.012 -15.344 195 HA ASP 27 HA ASP 27 4.700 -5.415 -14.477 196 1HB ASP 27 HB2 ASP 27 4.454 -7.424 -12.984 197 2HB ASP 27 HB3 ASP 27 5.593 -6.687 -11.882 198 H TYR 28 H TYR 28 7.168 -4.331 -15.042 199 HA TYR 28 HA TYR 28 8.048 -2.530 -12.955 200 1HB TYR 28 HB2 TYR 28 9.446 -3.342 -14.884 201 2HB TYR 28 HB3 TYR 28 8.478 -2.373 -15.986 202 HD1 TYR 28 HD1 TYR 28 11.382 -2.333 -13.865 203 HD2 TYR 28 HD2 TYR 28 8.368 0.147 -15.690 204 HE1 TYR 28 HE1 TYR 28 12.746 -0.310 -13.379 205 HE2 TYR 28 HE2 TYR 28 9.713 2.134 -15.236 206 HH TYR 28 HH TYR 28 11.482 2.976 -13.954 207 H ASP 29 H ASP 29 7.563 -0.300 -12.722 208 HA ASP 29 HA ASP 29 5.055 0.608 -14.092 209 1HB ASP 29 HB2 ASP 29 5.679 1.555 -11.319 210 2HB ASP 29 HB3 ASP 29 4.152 1.283 -12.097 211 H LEU 30 H LEU 30 4.752 2.921 -14.069 212 HA LEU 30 HA LEU 30 6.847 4.627 -12.966 213 1HB LEU 30 HB2 LEU 30 5.953 4.668 -15.894 214 2HB LEU 30 HB3 LEU 30 6.708 6.005 -15.067 215 HG LEU 30 HG LEU 30 7.942 3.258 -15.627 216 1HD1 LEU 30 1HD1 LEU 30 9.464 4.401 -17.092 217 2HD1 LEU 30 2HD1 LEU 30 7.802 4.726 -17.592 218 3HD1 LEU 30 3HD1 LEU 30 8.762 5.973 -16.726 219 1HD2 LEU 30 1HD2 LEU 30 8.951 4.167 -13.492 220 2HD2 LEU 30 2HD2 LEU 30 10.120 4.342 -14.804 221 3HD2 LEU 30 3HD2 LEU 30 9.133 5.727 -14.286 222 H CYS 31 H CYS 31 5.890 6.433 -12.003 223 HA CYS 31 HA CYS 31 3.064 6.913 -12.315 224 1HB CYS 31 HB2 CYS 31 3.505 8.981 -11.165 225 2HB CYS 31 HB3 CYS 31 4.288 7.694 -10.272 226 H ILE 32 H ILE 32 2.389 9.124 -13.080 227 HA ILE 32 HA ILE 32 2.760 9.240 -15.797 228 HB ILE 32 HB ILE 32 1.929 11.608 -14.062 229 1HG1 ILE 32 2HG1 ILE 32 0.617 9.870 -13.127 230 2HG1 ILE 32 3HG1 ILE 32 -0.408 10.794 -14.241 231 1HG2 ILE 32 1HG2 ILE 32 2.220 12.167 -16.311 232 2HG2 ILE 32 2HG2 ILE 32 1.287 10.756 -16.911 233 3HG2 ILE 32 3HG2 ILE 32 0.463 12.079 -16.052 234 1HD1 ILE 32 1HD1 ILE 32 0.877 8.103 -14.854 235 2HD1 ILE 32 2HD1 ILE 32 -0.783 8.330 -14.356 236 3HD1 ILE 32 3HD1 ILE 32 -0.243 9.054 -15.891 237 H ASN 33 H ASN 33 4.345 11.199 -13.321 238 HA ASN 33 HA ASN 33 5.684 12.991 -15.110 239 1HB ASN 33 HB2 ASN 33 5.503 13.696 -12.800 240 2HB ASN 33 HB3 ASN 33 6.089 12.147 -12.204 241 1HD2 ASN 33 2HD2 ASN 33 8.418 11.723 -12.169 242 2HD2 ASN 33 1HD2 ASN 33 9.516 13.077 -12.372 243 H CYS 34 H CYS 34 6.756 9.991 -13.503 244 HA CYS 34 HA CYS 34 9.392 10.086 -14.654 245 1HB CYS 34 HB2 CYS 34 7.810 7.871 -13.325 246 2HB CYS 34 HB3 CYS 34 9.436 7.688 -14.023 247 H TYR 35 H TYR 35 6.352 8.460 -15.646 248 HA TYR 35 HA TYR 35 7.448 7.171 -17.910 249 1HB TYR 35 HB2 TYR 35 5.179 6.751 -17.170 250 2HB TYR 35 HB3 TYR 35 4.687 8.394 -17.588 251 HD1 TYR 35 HD1 TYR 35 6.507 5.521 -19.200 252 HD2 TYR 35 HD2 TYR 35 3.417 8.505 -19.628 253 HE1 TYR 35 HE1 TYR 35 6.031 4.689 -21.486 254 HE2 TYR 35 HE2 TYR 35 2.925 7.668 -21.884 255 HH TYR 35 HH TYR 35 4.795 4.989 -23.385 256 H ASN 36 H ASN 36 6.170 10.478 -17.560 257 HA ASN 36 HA ASN 36 6.636 11.419 -20.158 258 1HB ASN 36 HB2 ASN 36 5.965 12.606 -17.489 259 2HB ASN 36 HB3 ASN 36 6.744 13.712 -18.542 260 1HD2 ASN 36 2HD2 ASN 36 3.991 11.478 -18.404 261 2HD2 ASN 36 1HD2 ASN 36 3.027 12.344 -19.606 262 H THR 37 H THR 37 9.044 10.865 -17.670 263 HA THR 37 HA THR 37 10.966 12.586 -19.189 264 HB THR 37 HB THR 37 12.023 13.110 -17.026 265 HG1 THR 37 HG1 THR 37 9.614 12.224 -15.872 266 1HG2 THR 37 1HG2 THR 37 9.115 14.032 -17.158 267 2HG2 THR 37 2HG2 THR 37 10.490 14.811 -16.313 268 3HG2 THR 37 3HG2 THR 37 10.464 14.740 -18.071 269 H LYS 38 H LYS 38 10.320 9.422 -18.446 270 HA LYS 38 HA LYS 38 13.230 8.736 -18.437 271 1HB LYS 38 HB2 LYS 38 11.011 7.061 -17.253 272 2HB LYS 38 HB3 LYS 38 12.745 6.809 -17.104 273 1HG LYS 38 HG2 LYS 38 11.373 9.256 -15.899 274 2HG LYS 38 HG3 LYS 38 11.476 7.698 -15.072 275 1HD LYS 38 HD2 LYS 38 13.907 7.866 -14.984 276 2HD LYS 38 HD3 LYS 38 13.878 9.267 -16.071 277 1HE LYS 38 HE2 LYS 38 14.176 10.062 -13.812 278 2HE LYS 38 HE3 LYS 38 12.596 10.576 -14.402 279 1HZ LYS 38 HZ1 LYS 38 12.621 9.732 -12.097 280 2HZ LYS 38 HZ2 LYS 38 11.580 8.884 -13.036 281 3HZ LYS 38 HZ3 LYS 38 13.077 8.282 -12.628 282 H SER 39 H SER 39 10.934 9.034 -20.606 283 HA SER 39 HA SER 39 10.103 7.893 -22.367 284 1HB SER 39 HB2 SER 39 13.108 7.793 -22.807 285 2HB SER 39 HB3 SER 39 11.868 7.861 -24.048 286 HG SER 39 HG SER 39 12.774 9.946 -23.530 287 H HIS 40 H HIS 40 9.717 5.914 -20.667 288 HA HIS 40 HA HIS 40 11.040 3.438 -21.404 289 1HB HIS 40 HB2 HIS 40 9.254 4.322 -19.382 290 2HB HIS 40 HB3 HIS 40 8.351 3.146 -20.328 291 HD1 HIS 40 HD1 HIS 40 11.297 3.305 -17.908 292 HD2 HIS 40 HD2 HIS 40 9.321 0.653 -20.483 293 HE1 HIS 40 HE1 HIS 40 11.991 0.957 -17.182 294 H THR 41 H THR 41 10.944 2.805 -23.425 295 HA THR 41 HA THR 41 8.839 3.751 -25.145 296 HB THR 41 HB THR 41 11.017 2.046 -26.255 297 HG1 THR 41 HG1 THR 41 11.711 4.325 -24.719 298 1HG2 THR 41 1HG2 THR 41 9.640 3.540 -27.633 299 2HG2 THR 41 2HG2 THR 41 10.257 4.962 -26.758 300 3HG2 THR 41 3HG2 THR 41 11.365 3.962 -27.731 301 H HIS 42 H HIS 42 8.934 0.966 -23.300 302 HA HIS 42 HA HIS 42 8.421 -0.970 -25.380 303 1HB HIS 42 HB2 HIS 42 7.969 -1.183 -22.400 304 2HB HIS 42 HB3 HIS 42 8.267 -2.495 -23.556 305 HD2 HIS 42 HD2 HIS 42 10.969 -1.349 -24.931 306 HE1 HIS 42 HE1 HIS 42 12.479 -1.297 -20.942 307 HE2 HIS 42 HE2 HIS 42 13.109 -1.231 -23.420 308 H LYS 43 H LYS 43 6.477 -2.525 -25.043 309 HA LYS 43 HA LYS 43 4.083 -0.916 -25.228 310 1HB LYS 43 HB2 LYS 43 4.536 -2.931 -26.666 311 2HB LYS 43 HB3 LYS 43 4.182 -3.949 -25.292 312 1HG LYS 43 HG2 LYS 43 2.015 -2.088 -25.359 313 2HG LYS 43 HG3 LYS 43 2.381 -2.361 -27.047 314 1HD LYS 43 HD2 LYS 43 0.660 -3.875 -26.427 315 2HD LYS 43 HD3 LYS 43 2.121 -4.845 -26.636 316 1HE LYS 43 HE2 LYS 43 1.125 -5.668 -24.639 317 2HE LYS 43 HE3 LYS 43 2.499 -4.710 -24.147 318 1HZ LYS 43 HZ1 LYS 43 0.752 -4.185 -22.747 319 2HZ LYS 43 HZ2 LYS 43 0.926 -2.868 -23.651 320 3HZ LYS 43 HZ3 LYS 43 -0.329 -3.907 -23.956 321 H MET 44 H MET 44 3.820 -0.013 -23.301 322 HA MET 44 HA MET 44 3.404 -1.554 -20.840 323 1HB MET 44 HB2 MET 44 3.359 1.367 -21.743 324 2HB MET 44 HB3 MET 44 2.825 0.905 -20.106 325 1HG MET 44 HG2 MET 44 4.824 0.078 -19.453 326 2HG MET 44 HG3 MET 44 5.491 -0.095 -21.056 327 1HE MET 44 HE1 MET 44 4.756 2.042 -17.920 328 2HE MET 44 HE2 MET 44 6.271 1.152 -17.999 329 3HE MET 44 HE3 MET 44 6.328 2.907 -17.922 330 H VAL 45 H VAL 45 1.375 -0.472 -19.670 331 HA VAL 45 HA VAL 45 -1.121 -0.289 -21.145 332 HB VAL 45 HB VAL 45 -2.090 -1.498 -19.219 333 1HG1 VAL 45 1HG1 VAL 45 -1.794 -2.580 -21.468 334 2HG1 VAL 45 2HG1 VAL 45 -0.264 -3.306 -20.877 335 3HG1 VAL 45 3HG1 VAL 45 -1.830 -3.718 -20.130 336 1HG2 VAL 45 1HG2 VAL 45 0.712 -2.437 -18.646 337 2HG2 VAL 45 2HG2 VAL 45 -0.356 -1.459 -17.612 338 3HG2 VAL 45 3HG2 VAL 45 -0.727 -3.169 -17.980 339 H LYS 46 H LYS 46 -2.631 0.659 -19.188 340 HA LYS 46 HA LYS 46 -1.120 2.461 -17.448 341 1HB LYS 46 HB2 LYS 46 -1.370 3.814 -19.445 342 2HB LYS 46 HB3 LYS 46 -3.071 3.423 -19.604 343 1HG LYS 46 HG2 LYS 46 -1.972 4.977 -17.222 344 2HG LYS 46 HG3 LYS 46 -2.477 5.710 -18.737 345 1HD LYS 46 HD2 LYS 46 -4.768 4.512 -18.341 346 2HD LYS 46 HD3 LYS 46 -4.205 4.330 -16.673 347 1HE LYS 46 HE2 LYS 46 -5.698 6.210 -16.916 348 2HE LYS 46 HE3 LYS 46 -4.095 6.701 -16.357 349 1HZ LYS 46 HZ1 LYS 46 -3.647 7.744 -18.281 350 2HZ LYS 46 HZ2 LYS 46 -4.799 6.976 -19.219 351 3HZ LYS 46 HZ3 LYS 46 -5.118 8.104 -18.046 352 H TRP 47 H TRP 47 -2.194 2.570 -15.531 353 HA TRP 47 HA TRP 47 -5.030 1.634 -15.473 354 1HB TRP 47 HB2 TRP 47 -2.938 0.963 -13.366 355 2HB TRP 47 HB3 TRP 47 -4.612 0.397 -13.446 356 HD1 TRP 47 HD1 TRP 47 -1.164 -0.478 -14.422 357 HE1 TRP 47 HE1 TRP 47 -1.053 -2.517 -15.925 358 HE3 TRP 47 HE3 TRP 47 -6.079 -0.671 -15.882 359 HZ2 TRP 47 HZ2 TRP 47 -2.771 -3.836 -17.841 360 HZ3 TRP 47 HZ3 TRP 47 -6.701 -2.164 -17.767 361 HH2 TRP 47 HH2 TRP 47 -5.105 -3.801 -18.668 362 H GLY 48 H GLY 48 -6.153 3.372 -14.790 363 1HA GLY 48 HA2 GLY 48 -4.772 5.366 -13.071 364 2HA GLY 48 HA3 GLY 48 -5.642 5.847 -14.539 365 H LEU 49 H LEU 49 -5.815 5.851 -11.412 366 HA LEU 49 HA LEU 49 -8.747 5.522 -11.324 367 1HB LEU 49 HB2 LEU 49 -6.753 4.347 -9.344 368 2HB LEU 49 HB3 LEU 49 -8.439 4.541 -8.965 369 HG LEU 49 HG LEU 49 -7.476 2.976 -11.399 370 1HD1 LEU 49 1HD1 LEU 49 -7.893 0.987 -10.129 371 2HD1 LEU 49 2HD1 LEU 49 -6.689 2.031 -9.321 372 3HD1 LEU 49 3HD1 LEU 49 -8.381 1.967 -8.714 373 1HD2 LEU 49 1HD2 LEU 49 -9.814 2.000 -11.198 374 2HD2 LEU 49 2HD2 LEU 49 -10.203 3.267 -10.022 375 3HD2 LEU 49 3HD2 LEU 49 -9.802 3.699 -11.692 376 H GLY 50 H GLY 50 -6.530 7.870 -11.263 377 1HA GLY 50 HA2 GLY 50 -8.345 9.554 -9.832 378 2HA GLY 50 HA3 GLY 50 -6.986 9.150 -8.805 379 H LEU 51 H LEU 51 -5.309 9.342 -11.692 380 HA LEU 51 HA LEU 51 -5.273 12.326 -11.539 381 1HB LEU 51 HB2 LEU 51 -3.649 10.810 -10.031 382 2HB LEU 51 HB3 LEU 51 -2.704 10.791 -11.519 383 HG LEU 51 HG LEU 51 -2.737 13.375 -11.448 384 1HD1 LEU 51 1HD1 LEU 51 -3.871 12.840 -8.664 385 2HD1 LEU 51 2HD1 LEU 51 -3.244 14.416 -9.264 386 3HD1 LEU 51 3HD1 LEU 51 -4.695 13.703 -9.977 387 1HD2 LEU 51 1HD2 LEU 51 -1.572 11.839 -9.081 388 2HD2 LEU 51 2HD2 LEU 51 -0.832 12.024 -10.670 389 3HD2 LEU 51 3HD2 LEU 51 -1.037 13.455 -9.642 390 H ASP 52 H ASP 52 -5.347 9.784 -13.754 391 HA ASP 52 HA ASP 52 -4.988 11.440 -15.985 392 1HB ASP 52 HB2 ASP 52 -2.768 11.341 -16.279 393 2HB ASP 52 HB3 ASP 52 -2.531 10.153 -15.035 Start of MODEL 18 1 1H GLY 1 H1 GLY 1 5.225 -3.434 -9.622 2 2H GLY 1 H2 GLY 1 3.836 -3.706 -10.454 3 3H GLY 1 H3 GLY 1 4.227 -2.183 -9.989 4 1HA GLY 1 HA2 GLY 1 3.494 -4.432 -8.257 5 2HA GLY 1 HA3 GLY 1 4.011 -2.828 -7.659 6 H GLN 2 H GLN 2 1.312 -4.406 -7.509 7 HA GLN 2 HA GLN 2 -0.365 -2.072 -8.045 8 1HB GLN 2 HB2 GLN 2 -1.990 -3.325 -9.372 9 2HB GLN 2 HB3 GLN 2 -0.448 -3.183 -10.142 10 1HG GLN 2 HG2 GLN 2 -0.168 -5.679 -8.962 11 2HG GLN 2 HG3 GLN 2 -1.904 -5.619 -9.230 12 1HE2 GLN 2 2HE2 GLN 2 1.267 -5.848 -10.760 13 2HE2 GLN 2 1HE2 GLN 2 0.728 -5.931 -12.384 14 H ASP 3 H ASP 3 -2.492 -2.274 -7.164 15 HA ASP 3 HA ASP 3 -2.878 -4.122 -4.885 16 1HB ASP 3 HB2 ASP 3 -1.639 -1.951 -4.205 17 2HB ASP 3 HB3 ASP 3 -3.144 -1.110 -4.681 18 H ARG 4 H ARG 4 -5.248 -2.540 -4.043 19 HA ARG 4 HA ARG 4 -7.176 -3.475 -6.033 20 1HB ARG 4 HB2 ARG 4 -7.653 -1.678 -3.606 21 2HB ARG 4 HB3 ARG 4 -8.858 -2.448 -4.590 22 1HG ARG 4 HG2 ARG 4 -8.907 -3.984 -3.006 23 2HG ARG 4 HG3 ARG 4 -7.520 -4.693 -3.819 24 1HD ARG 4 HD2 ARG 4 -6.974 -2.562 -1.734 25 2HD ARG 4 HD3 ARG 4 -7.621 -4.084 -1.131 26 HE ARG 4 HE ARG 4 -4.988 -3.511 -2.073 27 1HH1 ARG 4 1HH2 ARG 4 -7.251 -6.182 -1.675 28 2HH1 ARG 4 2HH2 ARG 4 -6.013 -7.404 -1.528 29 1HH2 ARG 4 1HH1 ARG 4 -3.427 -5.014 -1.892 30 2HH2 ARG 4 2HH1 ARG 4 -3.730 -6.718 -1.704 31 H PHE 5 H PHE 5 -6.042 -0.282 -4.872 32 HA PHE 5 HA PHE 5 -6.697 0.895 -7.495 33 1HB PHE 5 HB2 PHE 5 -7.861 2.828 -6.398 34 2HB PHE 5 HB3 PHE 5 -8.718 1.319 -6.272 35 HD1 PHE 5 HD1 PHE 5 -9.240 0.321 -4.137 36 HD2 PHE 5 HD2 PHE 5 -6.657 3.759 -4.359 37 HE1 PHE 5 HE1 PHE 5 -9.426 0.631 -1.667 38 HE2 PHE 5 HE2 PHE 5 -6.800 4.015 -1.881 39 HZ PHE 5 HZ PHE 5 -8.243 2.506 -0.552 40 H VAL 6 H VAL 6 -4.353 0.180 -5.715 41 HA VAL 6 HA VAL 6 -2.900 2.725 -5.863 42 HB VAL 6 HB VAL 6 -3.339 0.842 -3.559 43 1HG1 VAL 6 1HG1 VAL 6 -0.629 2.179 -3.945 44 2HG1 VAL 6 2HG1 VAL 6 -1.204 1.401 -2.459 45 3HG1 VAL 6 3HG1 VAL 6 -0.949 0.434 -3.918 46 1HG2 VAL 6 1HG2 VAL 6 -3.173 2.931 -2.298 47 2HG2 VAL 6 2HG2 VAL 6 -2.571 3.785 -3.731 48 3HG2 VAL 6 3HG2 VAL 6 -4.242 3.174 -3.701 49 H TYR 7 H TYR 7 -0.692 2.377 -6.263 50 HA TYR 7 HA TYR 7 0.209 -0.099 -7.527 51 1HB TYR 7 HB2 TYR 7 -0.183 2.629 -8.837 52 2HB TYR 7 HB3 TYR 7 0.637 1.300 -9.611 53 HD1 TYR 7 HD1 TYR 7 -0.871 -0.886 -10.020 54 HD2 TYR 7 HD2 TYR 7 -2.476 2.872 -8.723 55 HE1 TYR 7 HE1 TYR 7 -3.142 -1.617 -10.734 56 HE2 TYR 7 HE2 TYR 7 -4.719 2.084 -9.137 57 HH TYR 7 HH TYR 7 -6.015 0.403 -10.117 58 H THR 8 H THR 8 2.545 0.767 -8.636 59 HA THR 8 HA THR 8 3.801 2.706 -6.751 60 HB THR 8 HB THR 8 5.880 1.142 -7.458 61 HG1 THR 8 HG1 THR 8 4.892 -0.389 -8.603 62 1HG2 THR 8 1HG2 THR 8 5.512 -0.160 -5.362 63 2HG2 THR 8 2HG2 THR 8 5.377 1.583 -5.181 64 3HG2 THR 8 3HG2 THR 8 3.894 0.599 -5.238 65 H CYS 9 H CYS 9 5.805 3.612 -7.762 66 HA CYS 9 HA CYS 9 5.684 3.755 -10.734 67 1HB CYS 9 HB2 CYS 9 5.510 6.059 -9.830 68 2HB CYS 9 HB3 CYS 9 6.857 5.749 -8.713 69 H ASN 10 H ASN 10 7.298 2.069 -11.179 70 HA ASN 10 HA ASN 10 9.100 1.311 -9.095 71 1HB ASN 10 HB2 ASN 10 8.180 -0.223 -10.900 72 2HB ASN 10 HB3 ASN 10 9.328 0.535 -12.013 73 1HD2 ASN 10 2HD2 ASN 10 10.966 -0.991 -12.227 74 2HD2 ASN 10 1HD2 ASN 10 11.751 -1.817 -10.868 75 H GLU 11 H GLU 11 9.145 4.119 -10.870 76 HA GLU 11 HA GLU 11 12.065 4.175 -10.817 77 1HB GLU 11 HB2 GLU 11 10.141 5.651 -12.424 78 2HB GLU 11 HB3 GLU 11 11.282 6.697 -11.612 79 1HG GLU 11 HG2 GLU 11 12.166 4.214 -13.161 80 2HG GLU 11 HG3 GLU 11 12.167 5.835 -13.847 81 H CYS 12 H CYS 12 9.270 5.278 -9.060 82 HA CYS 12 HA CYS 12 10.991 7.015 -7.337 83 1HB CYS 12 HB2 CYS 12 7.987 6.615 -7.213 84 2HB CYS 12 HB3 CYS 12 8.951 7.801 -6.317 85 H LYS 13 H LYS 13 9.487 3.937 -7.550 86 HA LYS 13 HA LYS 13 9.020 2.225 -6.197 87 1HB LYS 13 HB2 LYS 13 11.759 3.018 -5.111 88 2HB LYS 13 HB3 LYS 13 10.884 1.629 -4.477 89 1HG LYS 13 HG2 LYS 13 11.711 0.385 -6.080 90 2HG LYS 13 HG3 LYS 13 10.656 1.219 -7.212 91 1HD LYS 13 HD2 LYS 13 13.624 1.600 -6.791 92 2HD LYS 13 HD3 LYS 13 12.703 1.175 -8.238 93 1HE LYS 13 HE2 LYS 13 11.695 3.478 -8.134 94 2HE LYS 13 HE3 LYS 13 12.934 3.901 -6.942 95 1HZ LYS 13 HZ1 LYS 13 14.601 3.331 -8.710 96 2HZ LYS 13 HZ2 LYS 13 13.336 3.049 -9.736 97 3HZ LYS 13 HZ3 LYS 13 13.570 4.514 -9.149 98 H HIS 14 H HIS 14 7.698 4.402 -5.830 99 HA HIS 14 HA HIS 14 6.819 4.209 -3.016 100 1HB HIS 14 HB2 HIS 14 8.052 6.342 -3.248 101 2HB HIS 14 HB3 HIS 14 7.117 6.745 -4.689 102 HD2 HIS 14 HD2 HIS 14 5.186 8.406 -4.174 103 HE1 HIS 14 HE1 HIS 14 4.004 6.957 -0.349 104 HE2 HIS 14 HE2 HIS 14 3.470 8.636 -2.216 105 H HIS 15 H HIS 15 4.577 4.876 -2.856 106 HA HIS 15 HA HIS 15 3.047 3.468 -4.841 107 1HB HIS 15 HB2 HIS 15 2.371 4.784 -2.177 108 2HB HIS 15 HB3 HIS 15 1.116 4.145 -3.228 109 HD2 HIS 15 HD2 HIS 15 1.415 1.418 -3.914 110 HE1 HIS 15 HE1 HIS 15 3.320 0.462 -0.240 111 HE2 HIS 15 HE2 HIS 15 2.110 -0.492 -2.273 112 H VAL 16 H VAL 16 1.311 4.204 -6.017 113 HA VAL 16 HA VAL 16 0.768 7.046 -6.357 114 HB VAL 16 HB VAL 16 1.227 6.972 -8.709 115 1HG1 VAL 16 1HG1 VAL 16 3.275 7.276 -7.390 116 2HG1 VAL 16 2HG1 VAL 16 3.607 5.539 -7.438 117 3HG1 VAL 16 3HG1 VAL 16 3.582 6.450 -8.935 118 1HG2 VAL 16 1HG2 VAL 16 2.047 4.974 -9.926 119 2HG2 VAL 16 2HG2 VAL 16 1.766 3.958 -8.498 120 3HG2 VAL 16 3HG2 VAL 16 0.418 4.743 -9.355 121 H GLU 17 H GLU 17 -1.363 7.186 -7.738 122 HA GLU 17 HA GLU 17 -3.146 4.856 -7.144 123 1HB GLU 17 HB2 GLU 17 -4.893 6.736 -7.621 124 2HB GLU 17 HB3 GLU 17 -4.118 6.597 -6.042 125 1HG GLU 17 HG2 GLU 17 -4.321 8.966 -6.811 126 2HG GLU 17 HG3 GLU 17 -2.641 8.461 -6.508 127 H THR 18 H THR 18 -1.658 6.719 -9.625 128 HA THR 18 HA THR 18 -3.069 5.163 -11.722 129 HB THR 18 HB THR 18 -2.334 8.123 -11.606 130 HG1 THR 18 HG1 THR 18 -4.180 7.995 -10.619 131 1HG2 THR 18 1HG2 THR 18 -2.416 6.816 -13.997 132 2HG2 THR 18 2HG2 THR 18 -4.122 7.274 -13.805 133 3HG2 THR 18 3HG2 THR 18 -2.880 8.507 -13.718 134 H ARG 19 H ARG 19 -1.562 4.240 -13.162 135 HA ARG 19 HA ARG 19 1.183 5.290 -13.245 136 1HB ARG 19 HB2 ARG 19 2.296 3.242 -12.753 137 2HB ARG 19 HB3 ARG 19 1.153 3.465 -11.419 138 1HG ARG 19 HG2 ARG 19 -0.380 1.873 -12.398 139 2HG ARG 19 HG3 ARG 19 0.652 1.673 -13.832 140 1HD ARG 19 HD2 ARG 19 2.208 0.353 -12.840 141 2HD ARG 19 HD3 ARG 19 1.723 0.780 -11.195 142 HE ARG 19 HE ARG 19 -0.569 -0.196 -12.008 143 1HH1 ARG 19 1HH2 ARG 19 2.587 -1.817 -12.176 144 2HH1 ARG 19 2HH2 ARG 19 1.940 -3.319 -12.653 145 1HH2 ARG 19 1HH1 ARG 19 -1.423 -2.187 -12.729 146 2HH2 ARG 19 2HH1 ARG 19 -0.419 -3.564 -12.851 147 H TRP 20 H TRP 20 2.442 4.187 -14.801 148 HA TRP 20 HA TRP 20 1.121 3.064 -17.240 149 1HB TRP 20 HB2 TRP 20 3.761 4.514 -16.761 150 2HB TRP 20 HB3 TRP 20 3.252 3.758 -18.296 151 HD1 TRP 20 HD1 TRP 20 2.335 6.657 -15.960 152 HE1 TRP 20 HE1 TRP 20 0.515 8.097 -16.995 153 HE3 TRP 20 HE3 TRP 20 1.624 4.069 -20.301 154 HZ2 TRP 20 HZ2 TRP 20 -1.026 8.182 -19.403 155 HZ3 TRP 20 HZ3 TRP 20 -0.026 4.871 -21.982 156 HH2 TRP 20 HH2 TRP 20 -1.397 6.896 -21.510 157 H HIS 21 H HIS 21 1.890 0.955 -17.709 158 HA HIS 21 HA HIS 21 3.796 -0.258 -15.775 159 1HB HIS 21 HB2 HIS 21 1.870 -0.789 -14.695 160 2HB HIS 21 HB3 HIS 21 0.902 -0.806 -16.151 161 HD2 HIS 21 HD2 HIS 21 3.951 -3.167 -16.135 162 HE1 HIS 21 HE1 HIS 21 0.557 -5.602 -15.409 163 HE2 HIS 21 HE2 HIS 21 3.027 -5.601 -15.971 164 H CYS 22 H CYS 22 5.270 -1.279 -16.851 165 HA CYS 22 HA CYS 22 5.341 -1.823 -19.683 166 1HB CYS 22 HB2 CYS 22 7.038 -1.772 -17.265 167 2HB CYS 22 HB3 CYS 22 7.423 -3.103 -18.324 168 H THR 23 H THR 23 4.470 -3.412 -20.620 169 HA THR 23 HA THR 23 3.753 -5.896 -19.146 170 HB THR 23 HB THR 23 2.343 -6.552 -21.000 171 HG1 THR 23 HG1 THR 23 3.724 -4.480 -22.161 172 1HG2 THR 23 1HG2 THR 23 1.965 -3.641 -20.309 173 2HG2 THR 23 2HG2 THR 23 0.731 -4.839 -20.823 174 3HG2 THR 23 3HG2 THR 23 1.526 -4.997 -19.245 175 H VAL 24 H VAL 24 6.332 -4.806 -20.528 176 HA VAL 24 HA VAL 24 7.420 -6.960 -22.141 177 HB VAL 24 HB VAL 24 7.655 -4.712 -22.934 178 1HG1 VAL 24 1HG1 VAL 24 8.839 -3.039 -21.153 179 2HG1 VAL 24 2HG1 VAL 24 7.113 -3.064 -21.670 180 3HG1 VAL 24 3HG1 VAL 24 7.633 -3.807 -20.178 181 1HG2 VAL 24 1HG2 VAL 24 10.036 -4.152 -22.855 182 2HG2 VAL 24 2HG2 VAL 24 10.252 -5.129 -21.406 183 3HG2 VAL 24 3HG2 VAL 24 9.848 -5.928 -22.944 184 H CYS 25 H CYS 25 8.325 -4.955 -19.396 185 HA CYS 25 HA CYS 25 10.243 -6.696 -18.209 186 1HB CYS 25 HB2 CYS 25 8.818 -4.315 -16.992 187 2HB CYS 25 HB3 CYS 25 10.414 -4.893 -16.573 188 H GLU 26 H GLU 26 9.972 -7.067 -15.734 189 HA GLU 26 HA GLU 26 7.544 -8.609 -15.196 190 1HB GLU 26 HB2 GLU 26 10.292 -8.424 -14.091 191 2HB GLU 26 HB3 GLU 26 9.029 -8.696 -12.873 192 1HG GLU 26 HG2 GLU 26 8.162 -10.589 -14.195 193 2HG GLU 26 HG3 GLU 26 9.475 -10.402 -15.342 194 H ASP 27 H ASP 27 6.015 -7.053 -15.184 195 HA ASP 27 HA ASP 27 4.652 -5.419 -14.435 196 1HB ASP 27 HB2 ASP 27 4.274 -7.311 -12.893 197 2HB ASP 27 HB3 ASP 27 5.393 -6.570 -11.733 198 H TYR 28 H TYR 28 7.058 -4.314 -15.023 199 HA TYR 28 HA TYR 28 7.942 -2.481 -12.950 200 1HB TYR 28 HB2 TYR 28 9.389 -3.348 -14.779 201 2HB TYR 28 HB3 TYR 28 8.444 -2.467 -15.966 202 HD1 TYR 28 HD1 TYR 28 11.307 -2.406 -13.931 203 HD2 TYR 28 HD2 TYR 28 8.356 0.161 -15.735 204 HE1 TYR 28 HE1 TYR 28 12.822 -0.450 -13.610 205 HE2 TYR 28 HE2 TYR 28 9.829 2.084 -15.488 206 HH TYR 28 HH TYR 28 13.066 1.868 -13.887 207 H ASP 29 H ASP 29 7.404 -0.330 -12.686 208 HA ASP 29 HA ASP 29 4.935 0.571 -14.110 209 1HB ASP 29 HB2 ASP 29 5.527 1.562 -11.318 210 2HB ASP 29 HB3 ASP 29 4.014 1.324 -12.138 211 H LEU 30 H LEU 30 4.608 2.891 -14.108 212 HA LEU 30 HA LEU 30 6.771 4.564 -13.028 213 1HB LEU 30 HB2 LEU 30 5.805 4.573 -15.925 214 2HB LEU 30 HB3 LEU 30 6.609 5.913 -15.188 215 HG LEU 30 HG LEU 30 7.802 3.116 -15.606 216 1HD1 LEU 30 1HD1 LEU 30 7.657 4.547 -17.644 217 2HD1 LEU 30 2HD1 LEU 30 8.619 5.801 -16.778 218 3HD1 LEU 30 3HD1 LEU 30 9.301 4.206 -17.107 219 1HD2 LEU 30 1HD2 LEU 30 9.976 4.210 -14.855 220 2HD2 LEU 30 2HD2 LEU 30 9.022 5.614 -14.343 221 3HD2 LEU 30 3HD2 LEU 30 8.806 4.066 -13.542 222 H CYS 31 H CYS 31 5.876 6.400 -12.038 223 HA CYS 31 HA CYS 31 3.078 6.973 -12.247 224 1HB CYS 31 HB2 CYS 31 3.624 9.041 -11.127 225 2HB CYS 31 HB3 CYS 31 4.390 7.711 -10.281 226 H ILE 32 H ILE 32 2.390 9.114 -13.123 227 HA ILE 32 HA ILE 32 2.748 9.241 -15.840 228 HB ILE 32 HB ILE 32 1.951 11.607 -14.078 229 1HG1 ILE 32 2HG1 ILE 32 0.596 9.875 -13.177 230 2HG1 ILE 32 3HG1 ILE 32 -0.415 10.782 -14.319 231 1HG2 ILE 32 1HG2 ILE 32 2.237 12.194 -16.378 232 2HG2 ILE 32 2HG2 ILE 32 1.269 10.772 -16.911 233 3HG2 ILE 32 3HG2 ILE 32 0.496 12.104 -16.050 234 1HD1 ILE 32 1HD1 ILE 32 0.872 8.085 -14.885 235 2HD1 ILE 32 2HD1 ILE 32 -0.801 8.392 -14.483 236 3HD1 ILE 32 3HD1 ILE 32 -0.153 9.085 -15.985 237 H ASN 33 H ASN 33 4.403 11.224 -13.398 238 HA ASN 33 HA ASN 33 5.726 12.932 -15.296 239 1HB ASN 33 HB2 ASN 33 5.609 13.758 -13.028 240 2HB ASN 33 HB3 ASN 33 6.095 12.207 -12.353 241 1HD2 ASN 33 2HD2 ASN 33 8.403 11.701 -12.160 242 2HD2 ASN 33 1HD2 ASN 33 9.575 12.972 -12.450 243 H CYS 34 H CYS 34 6.764 9.916 -13.652 244 HA CYS 34 HA CYS 34 9.388 10.031 -14.814 245 1HB CYS 34 HB2 CYS 34 7.782 7.817 -13.505 246 2HB CYS 34 HB3 CYS 34 9.397 7.600 -14.199 247 H TYR 35 H TYR 35 6.322 8.409 -15.804 248 HA TYR 35 HA TYR 35 7.408 7.100 -18.037 249 1HB TYR 35 HB2 TYR 35 5.248 6.528 -17.249 250 2HB TYR 35 HB3 TYR 35 4.609 8.140 -17.553 251 HD1 TYR 35 HD1 TYR 35 6.380 5.351 -19.420 252 HD2 TYR 35 HD2 TYR 35 3.306 8.389 -19.523 253 HE1 TYR 35 HE1 TYR 35 5.753 4.638 -21.702 254 HE2 TYR 35 HE2 TYR 35 2.662 7.654 -21.784 255 HH TYR 35 HH TYR 35 4.257 4.885 -23.428 256 H ASN 36 H ASN 36 6.062 10.382 -17.676 257 HA ASN 36 HA ASN 36 6.323 11.303 -20.329 258 1HB ASN 36 HB2 ASN 36 5.874 12.522 -17.616 259 2HB ASN 36 HB3 ASN 36 6.415 13.608 -18.829 260 1HD2 ASN 36 2HD2 ASN 36 3.818 11.320 -18.100 261 2HD2 ASN 36 1HD2 ASN 36 2.649 12.022 -19.238 262 H THR 37 H THR 37 8.900 10.711 -18.116 263 HA THR 37 HA THR 37 10.669 12.519 -19.736 264 HB THR 37 HB THR 37 11.947 12.907 -17.609 265 HG1 THR 37 HG1 THR 37 9.571 12.082 -16.287 266 1HG2 THR 37 1HG2 THR 37 10.413 14.621 -18.513 267 2HG2 THR 37 2HG2 THR 37 9.068 13.919 -17.617 268 3HG2 THR 37 3HG2 THR 37 10.440 14.654 -16.744 269 H LYS 38 H LYS 38 10.677 9.677 -17.624 270 HA LYS 38 HA LYS 38 13.348 8.857 -18.217 271 1HB LYS 38 HB2 LYS 38 11.044 7.110 -17.278 272 2HB LYS 38 HB3 LYS 38 12.759 6.796 -17.057 273 1HG LYS 38 HG2 LYS 38 11.309 9.182 -15.783 274 2HG LYS 38 HG3 LYS 38 11.485 7.615 -15.018 275 1HD LYS 38 HD2 LYS 38 13.916 7.865 -14.956 276 2HD LYS 38 HD3 LYS 38 13.804 9.376 -15.880 277 1HE LYS 38 HE2 LYS 38 14.065 9.960 -13.557 278 2HE LYS 38 HE3 LYS 38 12.450 10.426 -14.096 279 1HZ LYS 38 HZ1 LYS 38 11.572 8.521 -12.911 280 2HZ LYS 38 HZ2 LYS 38 13.094 8.021 -12.518 281 3HZ LYS 38 HZ3 LYS 38 12.461 9.393 -11.897 282 H SER 39 H SER 39 10.727 8.899 -20.281 283 HA SER 39 HA SER 39 10.166 7.849 -22.196 284 1HB SER 39 HB2 SER 39 13.187 8.055 -22.575 285 2HB SER 39 HB3 SER 39 11.952 8.057 -23.852 286 HG SER 39 HG SER 39 12.446 10.043 -21.881 287 H HIS 40 H HIS 40 10.176 5.916 -20.329 288 HA HIS 40 HA HIS 40 11.592 3.512 -21.154 289 1HB HIS 40 HB2 HIS 40 10.660 4.353 -18.851 290 2HB HIS 40 HB3 HIS 40 9.161 3.599 -19.374 291 HD1 HIS 40 HD1 HIS 40 12.200 2.849 -17.446 292 HD2 HIS 40 HD2 HIS 40 9.657 0.804 -20.122 293 HE1 HIS 40 HE1 HIS 40 12.506 0.393 -16.978 294 H THR 41 H THR 41 10.799 4.143 -23.386 295 HA THR 41 HA THR 41 8.173 4.037 -24.279 296 HB THR 41 HB THR 41 10.740 3.645 -25.864 297 HG1 THR 41 HG1 THR 41 10.946 5.456 -24.481 298 1HG2 THR 41 1HG2 THR 41 9.538 5.206 -27.476 299 2HG2 THR 41 2HG2 THR 41 8.944 3.553 -27.430 300 3HG2 THR 41 3HG2 THR 41 8.034 4.829 -26.592 301 H HIS 42 H HIS 42 8.787 1.318 -22.811 302 HA HIS 42 HA HIS 42 8.671 -0.559 -25.043 303 1HB HIS 42 HB2 HIS 42 8.187 -0.972 -22.105 304 2HB HIS 42 HB3 HIS 42 8.533 -2.204 -23.346 305 HD2 HIS 42 HD2 HIS 42 11.097 -0.584 -24.641 306 HE1 HIS 42 HE1 HIS 42 12.748 -1.010 -20.732 307 HE2 HIS 42 HE2 HIS 42 13.295 -0.532 -23.174 308 H LYS 43 H LYS 43 6.795 -2.375 -24.686 309 HA LYS 43 HA LYS 43 4.385 -0.860 -25.149 310 1HB LYS 43 HB2 LYS 43 5.196 -3.086 -26.316 311 2HB LYS 43 HB3 LYS 43 4.463 -3.867 -24.937 312 1HG LYS 43 HG2 LYS 43 3.183 -1.894 -26.900 313 2HG LYS 43 HG3 LYS 43 2.932 -3.662 -26.920 314 1HD LYS 43 HD2 LYS 43 1.776 -1.587 -25.096 315 2HD LYS 43 HD3 LYS 43 0.926 -2.661 -26.196 316 1HE LYS 43 HE2 LYS 43 2.455 -3.409 -23.711 317 2HE LYS 43 HE3 LYS 43 0.700 -3.320 -23.805 318 1HZ LYS 43 HZ1 LYS 43 1.759 -5.554 -23.901 319 2HZ LYS 43 HZ2 LYS 43 0.705 -5.292 -25.169 320 3HZ LYS 43 HZ3 LYS 43 2.335 -5.239 -25.379 321 H MET 44 H MET 44 3.330 -0.125 -23.561 322 HA MET 44 HA MET 44 3.238 -1.494 -20.912 323 1HB MET 44 HB2 MET 44 3.209 1.418 -21.800 324 2HB MET 44 HB3 MET 44 2.660 0.945 -20.175 325 1HG MET 44 HG2 MET 44 4.662 0.128 -19.508 326 2HG MET 44 HG3 MET 44 5.364 0.041 -21.115 327 1HE MET 44 HE1 MET 44 4.647 1.951 -17.824 328 2HE MET 44 HE2 MET 44 6.242 1.195 -18.107 329 3HE MET 44 HE3 MET 44 6.119 2.936 -17.889 330 H VAL 45 H VAL 45 1.297 -0.522 -19.678 331 HA VAL 45 HA VAL 45 -1.248 -0.378 -21.079 332 HB VAL 45 HB VAL 45 -2.109 -1.603 -19.052 333 1HG1 VAL 45 1HG1 VAL 45 -0.636 -3.153 -21.207 334 2HG1 VAL 45 2HG1 VAL 45 -1.867 -3.849 -20.124 335 3HG1 VAL 45 3HG1 VAL 45 -2.344 -2.582 -21.247 336 1HG2 VAL 45 1HG2 VAL 45 0.705 -2.738 -18.909 337 2HG2 VAL 45 2HG2 VAL 45 -0.156 -1.771 -17.710 338 3HG2 VAL 45 3HG2 VAL 45 -0.691 -3.439 -18.095 339 H LYS 46 H LYS 46 -2.749 0.563 -19.141 340 HA LYS 46 HA LYS 46 -1.205 2.428 -17.443 341 1HB LYS 46 HB2 LYS 46 -1.479 3.657 -19.486 342 2HB LYS 46 HB3 LYS 46 -3.201 3.280 -19.607 343 1HG LYS 46 HG2 LYS 46 -2.029 4.958 -17.340 344 2HG LYS 46 HG3 LYS 46 -2.594 5.602 -18.876 345 1HD LYS 46 HD2 LYS 46 -4.835 4.508 -18.400 346 2HD LYS 46 HD3 LYS 46 -4.287 4.284 -16.739 347 1HE LYS 46 HE2 LYS 46 -5.631 6.263 -16.829 348 2HE LYS 46 HE3 LYS 46 -3.982 6.690 -16.440 349 1HZ LYS 46 HZ1 LYS 46 -5.016 6.992 -19.200 350 2HZ LYS 46 HZ2 LYS 46 -5.118 8.122 -18.021 351 3HZ LYS 46 HZ3 LYS 46 -3.680 7.691 -18.448 352 H TRP 47 H TRP 47 -2.246 2.513 -15.499 353 HA TRP 47 HA TRP 47 -5.056 1.572 -15.352 354 1HB TRP 47 HB2 TRP 47 -2.888 0.970 -13.308 355 2HB TRP 47 HB3 TRP 47 -4.522 0.342 -13.348 356 HD1 TRP 47 HD1 TRP 47 -1.079 -0.436 -14.463 357 HE1 TRP 47 HE1 TRP 47 -0.996 -2.516 -15.899 358 HE3 TRP 47 HE3 TRP 47 -6.025 -0.759 -15.660 359 HZ2 TRP 47 HZ2 TRP 47 -2.794 -3.891 -17.766 360 HZ3 TRP 47 HZ3 TRP 47 -6.765 -2.345 -17.431 361 HH2 TRP 47 HH2 TRP 47 -5.176 -3.890 -18.478 362 H GLY 48 H GLY 48 -6.102 3.452 -14.901 363 1HA GLY 48 HA2 GLY 48 -4.729 5.398 -13.121 364 2HA GLY 48 HA3 GLY 48 -5.589 5.873 -14.615 365 H LEU 49 H LEU 49 -5.850 6.238 -11.626 366 HA LEU 49 HA LEU 49 -8.773 5.882 -11.452 367 1HB LEU 49 HB2 LEU 49 -6.783 4.794 -9.431 368 2HB LEU 49 HB3 LEU 49 -8.477 5.032 -9.056 369 HG LEU 49 HG LEU 49 -7.433 3.217 -11.272 370 1HD1 LEU 49 1HD1 LEU 49 -6.988 2.511 -8.952 371 2HD1 LEU 49 2HD1 LEU 49 -8.731 2.569 -8.622 372 3HD1 LEU 49 3HD1 LEU 49 -8.085 1.394 -9.793 373 1HD2 LEU 49 1HD2 LEU 49 -9.819 2.343 -11.289 374 2HD2 LEU 49 2HD2 LEU 49 -10.267 3.710 -10.219 375 3HD2 LEU 49 3HD2 LEU 49 -9.717 3.994 -11.867 376 H GLY 50 H GLY 50 -6.324 8.140 -11.359 377 1HA GLY 50 HA2 GLY 50 -8.064 9.970 -9.893 378 2HA GLY 50 HA3 GLY 50 -6.623 9.525 -8.988 379 H LEU 51 H LEU 51 -4.936 9.567 -11.655 380 HA LEU 51 HA LEU 51 -4.896 12.563 -11.824 381 1HB LEU 51 HB2 LEU 51 -2.650 10.569 -11.344 382 2HB LEU 51 HB3 LEU 51 -2.318 12.127 -12.077 383 HG LEU 51 HG LEU 51 -3.582 11.761 -9.339 384 1HD1 LEU 51 1HD1 LEU 51 -0.749 12.656 -10.131 385 2HD1 LEU 51 2HD1 LEU 51 -1.404 12.495 -8.490 386 3HD1 LEU 51 3HD1 LEU 51 -1.184 11.064 -9.484 387 1HD2 LEU 51 1HD2 LEU 51 -2.698 14.282 -10.848 388 2HD2 LEU 51 2HD2 LEU 51 -4.304 13.904 -10.207 389 3HD2 LEU 51 3HD2 LEU 51 -2.979 14.199 -9.081 390 H ASP 52 H ASP 52 -5.014 9.757 -13.858 391 HA ASP 52 HA ASP 52 -4.873 11.373 -16.225 392 1HB ASP 52 HB2 ASP 52 -2.624 11.251 -16.455 393 2HB ASP 52 HB3 ASP 52 -2.431 9.996 -15.250 Start of MODEL 19 1 1H GLY 1 H1 GLY 1 3.623 -3.904 -10.539 2 2H GLY 1 H2 GLY 1 4.045 -2.363 -10.163 3 3H GLY 1 H3 GLY 1 5.081 -3.587 -9.838 4 1HA GLY 1 HA2 GLY 1 3.469 -4.516 -8.267 5 2HA GLY 1 HA3 GLY 1 4.015 -2.864 -7.814 6 H GLN 2 H GLN 2 1.217 -4.673 -7.819 7 HA GLN 2 HA GLN 2 -0.353 -2.236 -8.067 8 1HB GLN 2 HB2 GLN 2 -1.902 -3.295 -9.700 9 2HB GLN 2 HB3 GLN 2 -0.303 -2.855 -10.291 10 1HG GLN 2 HG2 GLN 2 0.358 -5.240 -10.350 11 2HG GLN 2 HG3 GLN 2 -1.347 -5.657 -9.960 12 1HE2 GLN 2 2HE2 GLN 2 0.611 -5.540 -12.622 13 2HE2 GLN 2 1HE2 GLN 2 -0.520 -4.902 -13.795 14 H ASP 3 H ASP 3 -2.456 -2.318 -7.487 15 HA ASP 3 HA ASP 3 -3.577 -4.454 -5.828 16 1HB ASP 3 HB2 ASP 3 -2.321 -2.706 -4.356 17 2HB ASP 3 HB3 ASP 3 -3.474 -1.516 -4.977 18 H ARG 4 H ARG 4 -5.923 -3.462 -5.237 19 HA ARG 4 HA ARG 4 -7.369 -3.240 -7.633 20 1HB ARG 4 HB2 ARG 4 -8.566 -2.073 -5.146 21 2HB ARG 4 HB3 ARG 4 -9.294 -3.060 -6.397 22 1HG ARG 4 HG2 ARG 4 -9.279 -4.682 -4.818 23 2HG ARG 4 HG3 ARG 4 -7.590 -4.897 -5.292 24 1HD ARG 4 HD2 ARG 4 -7.073 -3.095 -3.503 25 2HD ARG 4 HD3 ARG 4 -8.740 -3.284 -2.972 26 HE ARG 4 HE ARG 4 -7.958 -5.833 -2.910 27 1HH1 ARG 4 2HH2 ARG 4 -5.972 -3.104 -1.842 28 2HH1 ARG 4 1HH2 ARG 4 -5.445 -3.789 -0.404 29 1HH2 ARG 4 1HH1 ARG 4 -6.966 -6.929 -1.130 30 2HH2 ARG 4 2HH1 ARG 4 -5.955 -6.072 -0.032 31 H PHE 5 H PHE 5 -6.063 -0.573 -5.649 32 HA PHE 5 HA PHE 5 -6.618 1.296 -7.831 33 1HB PHE 5 HB2 PHE 5 -7.741 2.952 -6.393 34 2HB PHE 5 HB3 PHE 5 -8.677 1.489 -6.626 35 HD1 PHE 5 HD1 PHE 5 -6.619 3.418 -4.170 36 HD2 PHE 5 HD2 PHE 5 -9.317 0.114 -4.750 37 HE1 PHE 5 HE1 PHE 5 -6.837 3.177 -1.728 38 HE2 PHE 5 HE2 PHE 5 -9.554 -0.117 -2.296 39 HZ PHE 5 HZ PHE 5 -8.277 1.373 -0.769 40 H VAL 6 H VAL 6 -4.330 -0.011 -6.049 41 HA VAL 6 HA VAL 6 -2.808 2.469 -5.689 42 HB VAL 6 HB VAL 6 -3.525 0.433 -3.618 43 1HG1 VAL 6 1HG1 VAL 6 -1.418 0.739 -2.342 44 2HG1 VAL 6 2HG1 VAL 6 -1.189 -0.187 -3.831 45 3HG1 VAL 6 3HG1 VAL 6 -0.689 1.531 -3.747 46 1HG2 VAL 6 1HG2 VAL 6 -2.637 3.364 -3.656 47 2HG2 VAL 6 2HG2 VAL 6 -4.285 2.715 -3.521 48 3HG2 VAL 6 3HG2 VAL 6 -3.149 2.463 -2.195 49 H TYR 7 H TYR 7 -0.693 2.252 -6.199 50 HA TYR 7 HA TYR 7 0.358 -0.226 -7.385 51 1HB TYR 7 HB2 TYR 7 0.064 2.430 -8.838 52 2HB TYR 7 HB3 TYR 7 0.654 0.873 -9.476 53 HD1 TYR 7 HD1 TYR 7 -0.947 -0.928 -9.850 54 HD2 TYR 7 HD2 TYR 7 -2.299 2.947 -8.689 55 HE1 TYR 7 HE1 TYR 7 -3.325 -1.631 -10.346 56 HE2 TYR 7 HE2 TYR 7 -4.648 2.266 -9.059 57 HH TYR 7 HH TYR 7 -5.562 -1.030 -9.967 58 H THR 8 H THR 8 2.525 0.926 -8.642 59 HA THR 8 HA THR 8 3.801 2.786 -6.746 60 HB THR 8 HB THR 8 5.912 1.204 -7.432 61 HG1 THR 8 HG1 THR 8 4.703 -0.362 -8.570 62 1HG2 THR 8 1HG2 THR 8 3.991 0.724 -5.143 63 2HG2 THR 8 2HG2 THR 8 5.548 -0.117 -5.337 64 3HG2 THR 8 3HG2 THR 8 5.509 1.642 -5.166 65 H CYS 9 H CYS 9 5.837 3.684 -7.715 66 HA CYS 9 HA CYS 9 5.846 3.756 -10.689 67 1HB CYS 9 HB2 CYS 9 5.557 6.092 -9.842 68 2HB CYS 9 HB3 CYS 9 6.852 5.853 -8.672 69 H ASN 10 H ASN 10 7.392 2.102 -11.010 70 HA ASN 10 HA ASN 10 9.214 1.363 -8.944 71 1HB ASN 10 HB2 ASN 10 8.324 -0.203 -10.757 72 2HB ASN 10 HB3 ASN 10 9.446 0.618 -11.858 73 1HD2 ASN 10 2HD2 ASN 10 11.041 -0.921 -12.182 74 2HD2 ASN 10 1HD2 ASN 10 11.940 -1.699 -10.884 75 H GLU 11 H GLU 11 9.259 4.206 -10.653 76 HA GLU 11 HA GLU 11 12.184 4.207 -10.632 77 1HB GLU 11 HB2 GLU 11 10.274 5.612 -12.327 78 2HB GLU 11 HB3 GLU 11 11.442 6.683 -11.574 79 1HG GLU 11 HG2 GLU 11 12.237 4.073 -13.001 80 2HG GLU 11 HG3 GLU 11 12.278 5.650 -13.781 81 H CYS 12 H CYS 12 9.382 5.434 -8.965 82 HA CYS 12 HA CYS 12 11.055 7.212 -7.240 83 1HB CYS 12 HB2 CYS 12 8.055 6.633 -7.163 84 2HB CYS 12 HB3 CYS 12 8.952 7.842 -6.236 85 H LYS 13 H LYS 13 9.531 4.142 -7.438 86 HA LYS 13 HA LYS 13 9.090 2.382 -6.123 87 1HB LYS 13 HB2 LYS 13 11.830 3.106 -5.001 88 2HB LYS 13 HB3 LYS 13 10.916 1.721 -4.419 89 1HG LYS 13 HG2 LYS 13 11.649 0.480 -6.080 90 2HG LYS 13 HG3 LYS 13 10.697 1.414 -7.178 91 1HD LYS 13 HD2 LYS 13 13.657 1.670 -6.615 92 2HD LYS 13 HD3 LYS 13 12.784 1.254 -8.114 93 1HE LYS 13 HE2 LYS 13 11.812 3.619 -7.994 94 2HE LYS 13 HE3 LYS 13 13.030 3.991 -6.776 95 1HZ LYS 13 HZ1 LYS 13 13.693 4.606 -9.001 96 2HZ LYS 13 HZ2 LYS 13 14.731 3.428 -8.515 97 3HZ LYS 13 HZ3 LYS 13 13.497 3.142 -9.573 98 H HIS 14 H HIS 14 7.826 4.636 -5.698 99 HA HIS 14 HA HIS 14 6.877 4.300 -2.916 100 1HB HIS 14 HB2 HIS 14 7.930 6.497 -3.060 101 2HB HIS 14 HB3 HIS 14 6.979 6.904 -4.482 102 HD2 HIS 14 HD2 HIS 14 4.771 8.137 -4.000 103 HE1 HIS 14 HE1 HIS 14 3.696 6.414 -0.279 104 HE2 HIS 14 HE2 HIS 14 2.944 7.914 -2.156 105 H HIS 15 H HIS 15 4.566 4.867 -2.845 106 HA HIS 15 HA HIS 15 3.144 3.329 -4.772 107 1HB HIS 15 HB2 HIS 15 1.900 2.999 -2.945 108 2HB HIS 15 HB3 HIS 15 2.785 4.231 -2.063 109 HD2 HIS 15 HD2 HIS 15 -0.384 3.779 -4.206 110 HE1 HIS 15 HE1 HIS 15 -0.805 7.534 -2.246 111 HE2 HIS 15 HE2 HIS 15 -1.984 5.824 -3.695 112 H VAL 16 H VAL 16 1.278 4.010 -5.985 113 HA VAL 16 HA VAL 16 0.710 6.806 -6.359 114 HB VAL 16 HB VAL 16 1.156 6.895 -8.761 115 1HG1 VAL 16 1HG1 VAL 16 3.518 6.377 -9.061 116 2HG1 VAL 16 2HG1 VAL 16 3.226 7.246 -7.529 117 3HG1 VAL 16 3HG1 VAL 16 3.579 5.494 -7.559 118 1HG2 VAL 16 1HG2 VAL 16 2.017 4.992 -10.084 119 2HG2 VAL 16 2HG2 VAL 16 1.874 3.920 -8.691 120 3HG2 VAL 16 3HG2 VAL 16 0.432 4.634 -9.436 121 H GLU 17 H GLU 17 -1.329 7.003 -7.788 122 HA GLU 17 HA GLU 17 -3.110 4.673 -7.240 123 1HB GLU 17 HB2 GLU 17 -4.883 6.503 -7.546 124 2HB GLU 17 HB3 GLU 17 -4.025 6.360 -6.004 125 1HG GLU 17 HG2 GLU 17 -4.342 8.715 -6.678 126 2HG GLU 17 HG3 GLU 17 -2.623 8.267 -6.507 127 H THR 18 H THR 18 -1.698 6.684 -9.693 128 HA THR 18 HA THR 18 -3.091 5.149 -11.825 129 HB THR 18 HB THR 18 -2.517 8.127 -11.669 130 HG1 THR 18 HG1 THR 18 -4.257 7.895 -10.617 131 1HG2 THR 18 1HG2 THR 18 -4.363 7.332 -13.785 132 2HG2 THR 18 2HG2 THR 18 -2.870 8.280 -13.946 133 3HG2 THR 18 3HG2 THR 18 -2.789 6.531 -14.061 134 H ARG 19 H ARG 19 -1.602 4.440 -13.454 135 HA ARG 19 HA ARG 19 1.174 5.468 -13.389 136 1HB ARG 19 HB2 ARG 19 2.202 3.507 -12.721 137 2HB ARG 19 HB3 ARG 19 0.848 3.644 -11.611 138 1HG ARG 19 HG2 ARG 19 -0.390 2.045 -13.383 139 2HG ARG 19 HG3 ARG 19 1.276 1.696 -13.910 140 1HD ARG 19 HD2 ARG 19 1.554 1.494 -11.246 141 2HD ARG 19 HD3 ARG 19 -0.176 1.088 -11.422 142 HE ARG 19 HE ARG 19 2.171 -0.454 -12.227 143 1HH1 ARG 19 1HH1 ARG 19 -1.384 -0.522 -12.169 144 2HH1 ARG 19 2HH1 ARG 19 -1.398 -2.201 -12.557 145 1HH2 ARG 19 1HH2 ARG 19 2.147 -2.474 -12.574 146 2HH2 ARG 19 2HH2 ARG 19 0.713 -3.376 -12.871 147 H TRP 20 H TRP 20 2.508 4.238 -14.901 148 HA TRP 20 HA TRP 20 1.178 3.132 -17.329 149 1HB TRP 20 HB2 TRP 20 3.864 4.474 -16.882 150 2HB TRP 20 HB3 TRP 20 3.229 3.897 -18.441 151 HD1 TRP 20 HD1 TRP 20 2.736 6.694 -15.890 152 HE1 TRP 20 HE1 TRP 20 1.133 8.499 -16.789 153 HE3 TRP 20 HE3 TRP 20 1.536 4.547 -20.332 154 HZ2 TRP 20 HZ2 TRP 20 -0.525 8.904 -19.081 155 HZ3 TRP 20 HZ3 TRP 20 -0.076 5.677 -21.892 156 HH2 TRP 20 HH2 TRP 20 -1.142 7.832 -21.245 157 H HIS 21 H HIS 21 1.873 0.969 -17.708 158 HA HIS 21 HA HIS 21 3.850 -0.188 -15.814 159 1HB HIS 21 HB2 HIS 21 1.911 -0.730 -14.683 160 2HB HIS 21 HB3 HIS 21 0.912 -0.688 -16.111 161 HD2 HIS 21 HD2 HIS 21 3.929 -3.092 -16.040 162 HE1 HIS 21 HE1 HIS 21 0.472 -5.502 -15.549 163 HE2 HIS 21 HE2 HIS 21 3.002 -5.513 -15.908 164 H CYS 22 H CYS 22 5.314 -1.234 -16.832 165 HA CYS 22 HA CYS 22 5.336 -1.832 -19.664 166 1HB CYS 22 HB2 CYS 22 7.101 -1.769 -17.309 167 2HB CYS 22 HB3 CYS 22 7.421 -3.164 -18.322 168 H THR 23 H THR 23 4.499 -3.482 -20.620 169 HA THR 23 HA THR 23 3.980 -5.957 -19.077 170 HB THR 23 HB THR 23 2.284 -6.538 -20.888 171 HG1 THR 23 HG1 THR 23 3.313 -4.318 -21.937 172 1HG2 THR 23 1HG2 THR 23 1.976 -3.928 -19.431 173 2HG2 THR 23 2HG2 THR 23 0.634 -5.019 -19.892 174 3HG2 THR 23 3HG2 THR 23 1.773 -5.520 -18.644 175 H VAL 24 H VAL 24 6.371 -5.028 -20.288 176 HA VAL 24 HA VAL 24 7.432 -7.184 -21.986 177 HB VAL 24 HB VAL 24 7.428 -4.953 -22.885 178 1HG1 VAL 24 1HG1 VAL 24 8.758 -3.175 -21.167 179 2HG1 VAL 24 2HG1 VAL 24 7.068 -3.186 -21.776 180 3HG1 VAL 24 3HG1 VAL 24 7.470 -3.882 -20.240 181 1HG2 VAL 24 1HG2 VAL 24 10.148 -5.222 -21.544 182 2HG2 VAL 24 2HG2 VAL 24 9.659 -6.144 -22.987 183 3HG2 VAL 24 3HG2 VAL 24 9.810 -4.356 -23.030 184 H CYS 25 H CYS 25 8.517 -4.873 -19.496 185 HA CYS 25 HA CYS 25 10.390 -6.579 -18.172 186 1HB CYS 25 HB2 CYS 25 8.942 -4.187 -17.021 187 2HB CYS 25 HB3 CYS 25 10.556 -4.738 -16.610 188 H GLU 26 H GLU 26 10.064 -7.299 -15.834 189 HA GLU 26 HA GLU 26 7.500 -8.557 -15.414 190 1HB GLU 26 HB2 GLU 26 10.145 -8.482 -13.968 191 2HB GLU 26 HB3 GLU 26 8.684 -8.974 -13.088 192 1HG GLU 26 HG2 GLU 26 8.177 -10.675 -14.769 193 2HG GLU 26 HG3 GLU 26 9.601 -10.210 -15.702 194 H ASP 27 H ASP 27 5.893 -7.224 -15.101 195 HA ASP 27 HA ASP 27 4.569 -5.530 -14.374 196 1HB ASP 27 HB2 ASP 27 4.337 -7.564 -12.916 197 2HB ASP 27 HB3 ASP 27 5.292 -6.736 -11.688 198 H TYR 28 H TYR 28 6.953 -4.391 -14.914 199 HA TYR 28 HA TYR 28 7.862 -2.590 -12.829 200 1HB TYR 28 HB2 TYR 28 9.250 -3.460 -14.744 201 2HB TYR 28 HB3 TYR 28 8.213 -2.596 -15.852 202 HD1 TYR 28 HD1 TYR 28 11.196 -2.367 -13.873 203 HD2 TYR 28 HD2 TYR 28 8.129 -0.060 -15.844 204 HE1 TYR 28 HE1 TYR 28 12.646 -0.377 -13.780 205 HE2 TYR 28 HE2 TYR 28 9.580 1.913 -15.799 206 HH TYR 28 HH TYR 28 12.852 1.884 -14.319 207 H ASP 29 H ASP 29 7.318 -0.351 -12.662 208 HA ASP 29 HA ASP 29 5.016 0.587 -14.302 209 1HB ASP 29 HB2 ASP 29 5.235 1.266 -11.393 210 2HB ASP 29 HB3 ASP 29 3.778 1.252 -12.379 211 H LEU 30 H LEU 30 4.680 2.946 -14.093 212 HA LEU 30 HA LEU 30 6.795 4.524 -12.831 213 1HB LEU 30 HB2 LEU 30 5.903 4.744 -15.750 214 2HB LEU 30 HB3 LEU 30 6.760 5.988 -14.881 215 HG LEU 30 HG LEU 30 7.798 3.181 -15.521 216 1HD1 LEU 30 1HD1 LEU 30 9.308 4.340 -17.028 217 2HD1 LEU 30 2HD1 LEU 30 7.639 4.802 -17.438 218 3HD1 LEU 30 3HD1 LEU 30 8.683 5.916 -16.527 219 1HD2 LEU 30 1HD2 LEU 30 8.868 3.982 -13.403 220 2HD2 LEU 30 2HD2 LEU 30 10.016 4.019 -14.743 221 3HD2 LEU 30 3HD2 LEU 30 9.239 5.522 -14.208 222 H CYS 31 H CYS 31 5.920 6.460 -11.971 223 HA CYS 31 HA CYS 31 3.109 6.994 -12.115 224 1HB CYS 31 HB2 CYS 31 3.661 9.081 -11.019 225 2HB CYS 31 HB3 CYS 31 4.426 7.789 -10.135 226 H ILE 32 H ILE 32 2.402 9.151 -12.942 227 HA ILE 32 HA ILE 32 2.752 9.245 -15.686 228 HB ILE 32 HB ILE 32 1.900 11.580 -13.959 229 1HG1 ILE 32 2HG1 ILE 32 0.586 9.875 -13.023 230 2HG1 ILE 32 3HG1 ILE 32 -0.462 10.739 -14.104 231 1HG2 ILE 32 1HG2 ILE 32 2.167 12.185 -16.235 232 2HG2 ILE 32 2HG2 ILE 32 1.210 10.774 -16.805 233 3HG2 ILE 32 3HG2 ILE 32 0.433 12.076 -15.916 234 1HD1 ILE 32 1HD1 ILE 32 -0.376 8.956 -15.755 235 2HD1 ILE 32 2HD1 ILE 32 0.859 8.079 -14.783 236 3HD1 ILE 32 3HD1 ILE 32 -0.771 8.282 -14.161 237 H ASN 33 H ASN 33 4.355 11.285 -13.242 238 HA ASN 33 HA ASN 33 5.639 13.023 -15.133 239 1HB ASN 33 HB2 ASN 33 5.394 13.904 -12.954 240 2HB ASN 33 HB3 ASN 33 5.876 12.397 -12.161 241 1HD2 ASN 33 2HD2 ASN 33 8.082 11.916 -11.789 242 2HD2 ASN 33 1HD2 ASN 33 9.315 13.128 -12.062 243 H CYS 34 H CYS 34 6.700 9.988 -13.525 244 HA CYS 34 HA CYS 34 9.384 10.104 -14.614 245 1HB CYS 34 HB2 CYS 34 7.701 7.978 -13.260 246 2HB CYS 34 HB3 CYS 34 9.249 7.595 -14.056 247 H TYR 35 H TYR 35 6.340 8.463 -15.643 248 HA TYR 35 HA TYR 35 7.404 7.203 -17.934 249 1HB TYR 35 HB2 TYR 35 5.172 6.728 -17.120 250 2HB TYR 35 HB3 TYR 35 4.628 8.361 -17.481 251 HD1 TYR 35 HD1 TYR 35 6.280 5.437 -19.229 252 HD2 TYR 35 HD2 TYR 35 3.487 8.704 -19.495 253 HE1 TYR 35 HE1 TYR 35 5.668 4.723 -21.535 254 HE2 TYR 35 HE2 TYR 35 2.828 7.962 -21.749 255 HH TYR 35 HH TYR 35 4.239 5.046 -23.281 256 H ASN 36 H ASN 36 6.131 10.491 -17.525 257 HA ASN 36 HA ASN 36 6.423 11.463 -20.146 258 1HB ASN 36 HB2 ASN 36 6.004 12.612 -17.400 259 2HB ASN 36 HB3 ASN 36 6.642 13.717 -18.549 260 1HD2 ASN 36 2HD2 ASN 36 3.924 11.571 -17.928 261 2HD2 ASN 36 1HD2 ASN 36 2.781 12.376 -19.002 262 H THR 37 H THR 37 8.989 10.763 -17.916 263 HA THR 37 HA THR 37 10.814 12.571 -19.484 264 HB THR 37 HB THR 37 12.119 12.731 -17.340 265 HG1 THR 37 HG1 THR 37 9.739 12.058 -16.040 266 1HG2 THR 37 1HG2 THR 37 10.705 14.589 -18.132 267 2HG2 THR 37 2HG2 THR 37 9.321 13.932 -17.264 268 3HG2 THR 37 3HG2 THR 37 10.747 14.506 -16.369 269 H LYS 38 H LYS 38 10.664 9.651 -17.517 270 HA LYS 38 HA LYS 38 13.234 8.639 -18.217 271 1HB LYS 38 HB2 LYS 38 10.837 7.039 -17.264 272 2HB LYS 38 HB3 LYS 38 12.517 6.580 -17.110 273 1HG LYS 38 HG2 LYS 38 11.284 9.005 -15.701 274 2HG LYS 38 HG3 LYS 38 11.449 7.405 -14.983 275 1HD LYS 38 HD2 LYS 38 13.879 7.627 -15.010 276 2HD LYS 38 HD3 LYS 38 13.779 9.085 -16.006 277 1HE LYS 38 HE2 LYS 38 14.212 9.738 -13.733 278 2HE LYS 38 HE3 LYS 38 12.579 10.284 -14.183 279 1HZ LYS 38 HZ1 LYS 38 12.710 9.254 -11.947 280 2HZ LYS 38 HZ2 LYS 38 11.686 8.449 -12.881 281 3HZ LYS 38 HZ3 LYS 38 13.212 7.865 -12.608 282 H SER 39 H SER 39 10.537 8.974 -20.184 283 HA SER 39 HA SER 39 9.827 8.048 -22.126 284 1HB SER 39 HB2 SER 39 12.829 8.137 -22.544 285 2HB SER 39 HB3 SER 39 11.577 8.248 -23.796 286 HG SER 39 HG SER 39 12.208 10.094 -21.727 287 H HIS 40 H HIS 40 9.536 5.955 -20.537 288 HA HIS 40 HA HIS 40 11.005 3.584 -21.395 289 1HB HIS 40 HB2 HIS 40 9.140 4.283 -19.331 290 2HB HIS 40 HB3 HIS 40 8.364 3.050 -20.318 291 HD1 HIS 40 HD1 HIS 40 11.347 3.439 -17.942 292 HD2 HIS 40 HD2 HIS 40 9.457 0.645 -20.419 293 HE1 HIS 40 HE1 HIS 40 12.249 1.141 -17.262 294 H THR 41 H THR 41 10.861 2.837 -23.350 295 HA THR 41 HA THR 41 8.688 3.726 -25.060 296 HB THR 41 HB THR 41 10.846 2.213 -26.285 297 HG1 THR 41 HG1 THR 41 11.699 4.364 -24.647 298 1HG2 THR 41 1HG2 THR 41 11.244 4.219 -27.538 299 2HG2 THR 41 2HG2 THR 41 9.522 3.863 -27.477 300 3HG2 THR 41 3HG2 THR 41 10.178 5.165 -26.450 301 H HIS 42 H HIS 42 9.055 0.889 -23.220 302 HA HIS 42 HA HIS 42 8.623 -1.042 -25.325 303 1HB HIS 42 HB2 HIS 42 8.179 -1.275 -22.353 304 2HB HIS 42 HB3 HIS 42 8.526 -2.576 -23.517 305 HD2 HIS 42 HD2 HIS 42 11.185 -1.118 -24.850 306 HE1 HIS 42 HE1 HIS 42 12.691 -1.047 -20.873 307 HE2 HIS 42 HE2 HIS 42 13.309 -0.851 -23.353 308 H LYS 43 H LYS 43 6.646 -2.663 -25.100 309 HA LYS 43 HA LYS 43 4.311 -1.037 -25.267 310 1HB LYS 43 HB2 LYS 43 4.735 -3.223 -26.560 311 2HB LYS 43 HB3 LYS 43 4.286 -4.070 -25.070 312 1HG LYS 43 HG2 LYS 43 2.218 -2.204 -25.295 313 2HG LYS 43 HG3 LYS 43 2.648 -2.428 -26.972 314 1HD LYS 43 HD2 LYS 43 0.851 -3.936 -26.502 315 2HD LYS 43 HD3 LYS 43 2.312 -4.922 -26.618 316 1HE LYS 43 HE2 LYS 43 1.069 -5.682 -24.681 317 2HE LYS 43 HE3 LYS 43 2.511 -4.841 -24.111 318 1HZ LYS 43 HZ1 LYS 43 0.852 -4.082 -22.788 319 2HZ LYS 43 HZ2 LYS 43 1.012 -2.858 -23.774 320 3HZ LYS 43 HZ3 LYS 43 -0.272 -3.875 -23.968 321 H MET 44 H MET 44 3.580 -0.138 -23.532 322 HA MET 44 HA MET 44 3.368 -1.537 -20.910 323 1HB MET 44 HB2 MET 44 3.338 1.360 -21.864 324 2HB MET 44 HB3 MET 44 2.766 0.916 -20.244 325 1HG MET 44 HG2 MET 44 4.730 0.172 -19.510 326 2HG MET 44 HG3 MET 44 5.471 -0.084 -21.086 327 1HE MET 44 HE1 MET 44 6.237 3.045 -18.098 328 2HE MET 44 HE2 MET 44 4.676 2.217 -18.064 329 3HE MET 44 HE3 MET 44 6.156 1.251 -18.113 330 H VAL 45 H VAL 45 1.364 -0.483 -19.731 331 HA VAL 45 HA VAL 45 -1.134 -0.303 -21.191 332 HB VAL 45 HB VAL 45 -2.085 -1.550 -19.257 333 1HG1 VAL 45 1HG1 VAL 45 -0.314 -3.330 -20.985 334 2HG1 VAL 45 2HG1 VAL 45 -1.847 -3.754 -20.192 335 3HG1 VAL 45 3HG1 VAL 45 -1.867 -2.600 -21.510 336 1HG2 VAL 45 1HG2 VAL 45 -0.247 -1.515 -17.702 337 2HG2 VAL 45 2HG2 VAL 45 -0.669 -3.221 -18.056 338 3HG2 VAL 45 3HG2 VAL 45 0.748 -2.488 -18.782 339 H LYS 46 H LYS 46 -2.639 0.782 -19.366 340 HA LYS 46 HA LYS 46 -1.113 2.452 -17.482 341 1HB LYS 46 HB2 LYS 46 -1.331 3.731 -19.629 342 2HB LYS 46 HB3 LYS 46 -3.083 3.615 -19.526 343 1HG LYS 46 HG2 LYS 46 -1.338 5.030 -17.429 344 2HG LYS 46 HG3 LYS 46 -1.931 5.806 -18.874 345 1HD LYS 46 HD2 LYS 46 -4.296 5.399 -18.116 346 2HD LYS 46 HD3 LYS 46 -3.654 4.754 -16.593 347 1HE LYS 46 HE2 LYS 46 -4.067 7.026 -16.177 348 2HE LYS 46 HE3 LYS 46 -2.312 6.889 -16.346 349 1HZ LYS 46 HZ1 LYS 46 -4.275 7.943 -18.256 350 2HZ LYS 46 HZ2 LYS 46 -3.180 8.774 -17.512 351 3HZ LYS 46 HZ3 LYS 46 -2.658 7.756 -18.680 352 H TRP 47 H TRP 47 -2.342 2.746 -15.687 353 HA TRP 47 HA TRP 47 -5.128 1.768 -15.646 354 1HB TRP 47 HB2 TRP 47 -3.082 1.127 -13.498 355 2HB TRP 47 HB3 TRP 47 -4.738 0.531 -13.647 356 HD1 TRP 47 HD1 TRP 47 -1.225 -0.209 -14.592 357 HE1 TRP 47 HE1 TRP 47 -1.047 -2.332 -15.949 358 HE3 TRP 47 HE3 TRP 47 -6.124 -0.634 -16.044 359 HZ2 TRP 47 HZ2 TRP 47 -2.711 -3.772 -17.834 360 HZ3 TRP 47 HZ3 TRP 47 -6.730 -2.338 -17.767 361 HH2 TRP 47 HH2 TRP 47 -5.050 -3.912 -18.626 362 H GLY 48 H GLY 48 -6.359 3.294 -14.446 363 1HA GLY 48 HA2 GLY 48 -4.911 5.389 -13.020 364 2HA GLY 48 HA3 GLY 48 -5.842 5.845 -14.495 365 H LEU 49 H LEU 49 -6.092 6.458 -11.649 366 HA LEU 49 HA LEU 49 -8.907 5.732 -11.247 367 1HB LEU 49 HB2 LEU 49 -6.731 4.428 -9.871 368 2HB LEU 49 HB3 LEU 49 -7.499 5.450 -8.695 369 HG LEU 49 HG LEU 49 -8.341 3.193 -8.728 370 1HD1 LEU 49 1HD1 LEU 49 -10.734 3.660 -8.612 371 2HD1 LEU 49 2HD1 LEU 49 -9.845 5.053 -7.954 372 3HD1 LEU 49 3HD1 LEU 49 -10.531 5.137 -9.587 373 1HD2 LEU 49 1HD2 LEU 49 -9.639 3.639 -11.430 374 2HD2 LEU 49 2HD2 LEU 49 -8.161 2.688 -11.124 375 3HD2 LEU 49 3HD2 LEU 49 -9.683 2.192 -10.404 376 H GLY 50 H GLY 50 -6.318 8.080 -10.670 377 1HA GLY 50 HA2 GLY 50 -8.385 9.856 -9.460 378 2HA GLY 50 HA3 GLY 50 -6.813 9.611 -8.666 379 H LEU 51 H LEU 51 -5.112 9.668 -10.912 380 HA LEU 51 HA LEU 51 -5.455 12.410 -12.048 381 1HB LEU 51 HB2 LEU 51 -3.030 11.175 -10.665 382 2HB LEU 51 HB3 LEU 51 -2.994 12.689 -11.526 383 HG LEU 51 HG LEU 51 -4.745 12.200 -9.065 384 1HD1 LEU 51 1HD1 LEU 51 -2.046 13.572 -9.163 385 2HD1 LEU 51 2HD1 LEU 51 -3.154 13.407 -7.752 386 3HD1 LEU 51 3HD1 LEU 51 -2.387 11.976 -8.458 387 1HD2 LEU 51 1HD2 LEU 51 -5.579 14.042 -10.464 388 2HD2 LEU 51 2HD2 LEU 51 -4.905 14.656 -8.953 389 3HD2 LEU 51 3HD2 LEU 51 -3.964 14.796 -10.453 390 H ASP 52 H ASP 52 -6.259 10.902 -13.786 391 HA ASP 52 HA ASP 52 -4.558 9.040 -15.083 392 1HB ASP 52 HB2 ASP 52 -7.133 9.343 -15.252 393 2HB ASP 52 HB3 ASP 52 -6.778 10.498 -16.533 Start of MODEL 20 1 1H GLY 1 H1 GLY 1 3.545 -3.984 -10.223 2 2H GLY 1 H2 GLY 1 3.980 -2.406 -10.036 3 3H GLY 1 H3 GLY 1 4.949 -3.605 -9.481 4 1HA GLY 1 HA2 GLY 1 3.229 -4.265 -7.899 5 2HA GLY 1 HA3 GLY 1 3.816 -2.616 -7.640 6 H GLN 2 H GLN 2 1.137 -4.145 -7.200 7 HA GLN 2 HA GLN 2 -0.671 -2.019 -8.014 8 1HB GLN 2 HB2 GLN 2 -2.270 -3.599 -8.982 9 2HB GLN 2 HB3 GLN 2 -0.788 -3.580 -9.913 10 1HG GLN 2 HG2 GLN 2 -1.545 -5.733 -7.867 11 2HG GLN 2 HG3 GLN 2 -1.723 -5.870 -9.626 12 1HE2 GLN 2 2HE2 GLN 2 0.363 -5.800 -10.967 13 2HE2 GLN 2 1HE2 GLN 2 1.826 -6.340 -10.224 14 H ASP 3 H ASP 3 -2.755 -2.281 -6.982 15 HA ASP 3 HA ASP 3 -2.994 -3.902 -4.541 16 1HB ASP 3 HB2 ASP 3 -1.663 -1.751 -4.030 17 2HB ASP 3 HB3 ASP 3 -3.145 -0.880 -4.491 18 H ARG 4 H ARG 4 -5.322 -2.324 -3.650 19 HA ARG 4 HA ARG 4 -7.318 -3.300 -5.507 20 1HB ARG 4 HB2 ARG 4 -7.673 -1.331 -3.197 21 2HB ARG 4 HB3 ARG 4 -8.928 -2.164 -4.067 22 1HG ARG 4 HG2 ARG 4 -8.908 -3.562 -2.368 23 2HG ARG 4 HG3 ARG 4 -7.584 -4.349 -3.215 24 1HD ARG 4 HD2 ARG 4 -6.900 -2.102 -1.300 25 2HD ARG 4 HD3 ARG 4 -7.551 -3.560 -0.595 26 HE ARG 4 HE ARG 4 -4.943 -3.102 -1.649 27 1HH1 ARG 4 1HH1 ARG 4 -7.210 -5.717 -1.070 28 2HH1 ARG 4 2HH1 ARG 4 -5.988 -6.956 -0.942 29 1HH2 ARG 4 1HH2 ARG 4 -3.377 -4.615 -1.515 30 2HH2 ARG 4 2HH2 ARG 4 -3.670 -6.292 -1.222 31 H PHE 5 H PHE 5 -5.930 -0.097 -4.824 32 HA PHE 5 HA PHE 5 -6.732 0.916 -7.417 33 1HB PHE 5 HB2 PHE 5 -7.890 2.966 -6.331 34 2HB PHE 5 HB3 PHE 5 -8.780 1.478 -6.354 35 HD1 PHE 5 HD1 PHE 5 -9.615 0.512 -4.317 36 HD2 PHE 5 HD2 PHE 5 -6.618 3.605 -4.138 37 HE1 PHE 5 HE1 PHE 5 -9.850 0.599 -1.842 38 HE2 PHE 5 HE2 PHE 5 -6.859 3.678 -1.681 39 HZ PHE 5 HZ PHE 5 -8.442 2.147 -0.510 40 H VAL 6 H VAL 6 -4.353 0.313 -5.667 41 HA VAL 6 HA VAL 6 -2.918 2.889 -5.901 42 HB VAL 6 HB VAL 6 -3.318 1.088 -3.507 43 1HG1 VAL 6 1HG1 VAL 6 -1.196 1.701 -2.494 44 2HG1 VAL 6 2HG1 VAL 6 -0.912 0.717 -3.933 45 3HG1 VAL 6 3HG1 VAL 6 -0.648 2.476 -4.008 46 1HG2 VAL 6 1HG2 VAL 6 -4.223 3.436 -3.736 47 2HG2 VAL 6 2HG2 VAL 6 -3.189 3.148 -2.327 48 3HG2 VAL 6 3HG2 VAL 6 -2.526 3.995 -3.750 49 H TYR 7 H TYR 7 -0.701 2.509 -6.327 50 HA TYR 7 HA TYR 7 0.179 -0.057 -7.490 51 1HB TYR 7 HB2 TYR 7 -0.226 2.627 -8.898 52 2HB TYR 7 HB3 TYR 7 0.618 1.292 -9.625 53 HD1 TYR 7 HD1 TYR 7 -0.909 -0.930 -9.961 54 HD2 TYR 7 HD2 TYR 7 -2.525 2.903 -8.805 55 HE1 TYR 7 HE1 TYR 7 -3.205 -1.701 -10.538 56 HE2 TYR 7 HE2 TYR 7 -4.761 2.067 -9.131 57 HH TYR 7 HH TYR 7 -6.070 0.362 -10.007 58 H THR 8 H THR 8 2.509 0.810 -8.686 59 HA THR 8 HA THR 8 3.694 2.816 -6.843 60 HB THR 8 HB THR 8 5.829 1.267 -7.446 61 HG1 THR 8 HG1 THR 8 4.951 -0.375 -8.457 62 1HG2 THR 8 1HG2 THR 8 5.336 1.837 -5.210 63 2HG2 THR 8 2HG2 THR 8 3.858 0.844 -5.175 64 3HG2 THR 8 3HG2 THR 8 5.471 0.085 -5.251 65 H CYS 9 H CYS 9 5.715 3.712 -7.790 66 HA CYS 9 HA CYS 9 5.748 3.784 -10.777 67 1HB CYS 9 HB2 CYS 9 5.490 6.117 -9.924 68 2HB CYS 9 HB3 CYS 9 6.795 5.870 -8.770 69 H ASN 10 H ASN 10 7.308 1.986 -10.915 70 HA ASN 10 HA ASN 10 9.089 1.613 -8.679 71 1HB ASN 10 HB2 ASN 10 9.402 -0.413 -9.278 72 2HB ASN 10 HB3 ASN 10 8.054 -0.167 -10.391 73 1HD2 ASN 10 2HD2 ASN 10 9.000 1.065 -12.581 74 2HD2 ASN 10 1HD2 ASN 10 10.301 0.116 -13.251 75 H GLU 11 H GLU 11 9.167 4.087 -10.765 76 HA GLU 11 HA GLU 11 12.101 4.056 -10.824 77 1HB GLU 11 HB2 GLU 11 10.156 5.495 -12.476 78 2HB GLU 11 HB3 GLU 11 11.339 6.553 -11.731 79 1HG GLU 11 HG2 GLU 11 12.228 4.007 -13.123 80 2HG GLU 11 HG3 GLU 11 12.139 5.576 -13.936 81 H CYS 12 H CYS 12 9.339 5.319 -9.098 82 HA CYS 12 HA CYS 12 11.070 7.090 -7.442 83 1HB CYS 12 HB2 CYS 12 8.069 6.619 -7.310 84 2HB CYS 12 HB3 CYS 12 8.975 7.818 -6.410 85 H LYS 13 H LYS 13 9.472 4.049 -7.569 86 HA LYS 13 HA LYS 13 9.043 2.307 -6.228 87 1HB LYS 13 HB2 LYS 13 11.772 3.075 -5.082 88 2HB LYS 13 HB3 LYS 13 10.837 1.700 -4.486 89 1HG LYS 13 HG2 LYS 13 11.743 0.450 -6.028 90 2HG LYS 13 HG3 LYS 13 10.718 1.249 -7.193 91 1HD LYS 13 HD2 LYS 13 13.666 1.645 -6.638 92 2HD LYS 13 HD3 LYS 13 12.795 1.228 -8.127 93 1HE LYS 13 HE2 LYS 13 11.813 3.582 -8.017 94 2HE LYS 13 HE3 LYS 13 13.136 3.980 -6.917 95 1HZ LYS 13 HZ1 LYS 13 13.684 4.469 -9.214 96 2HZ LYS 13 HZ2 LYS 13 14.658 3.240 -8.736 97 3HZ LYS 13 HZ3 LYS 13 13.335 2.974 -9.685 98 H HIS 14 H HIS 14 7.651 4.417 -5.950 99 HA HIS 14 HA HIS 14 6.878 4.393 -3.118 100 1HB HIS 14 HB2 HIS 14 8.110 6.456 -3.434 101 2HB HIS 14 HB3 HIS 14 7.246 6.803 -4.926 102 HD2 HIS 14 HD2 HIS 14 5.312 8.448 -4.679 103 HE1 HIS 14 HE1 HIS 14 3.993 7.518 -0.755 104 HE2 HIS 14 HE2 HIS 14 3.555 8.939 -2.821 105 H HIS 15 H HIS 15 4.607 5.077 -2.926 106 HA HIS 15 HA HIS 15 2.990 3.609 -4.812 107 1HB HIS 15 HB2 HIS 15 2.378 5.083 -2.238 108 2HB HIS 15 HB3 HIS 15 1.116 4.351 -3.240 109 HD2 HIS 15 HD2 HIS 15 1.439 1.644 -3.873 110 HE1 HIS 15 HE1 HIS 15 3.375 0.802 -0.175 111 HE2 HIS 15 HE2 HIS 15 2.221 -0.242 -2.188 112 H VAL 16 H VAL 16 1.338 4.311 -6.044 113 HA VAL 16 HA VAL 16 0.769 7.169 -6.467 114 HB VAL 16 HB VAL 16 1.150 6.977 -8.880 115 1HG1 VAL 16 1HG1 VAL 16 3.198 7.501 -7.645 116 2HG1 VAL 16 2HG1 VAL 16 3.582 5.776 -7.484 117 3HG1 VAL 16 3HG1 VAL 16 3.534 6.487 -9.069 118 1HG2 VAL 16 1HG2 VAL 16 1.808 4.009 -8.438 119 2HG2 VAL 16 2HG2 VAL 16 0.418 4.695 -9.315 120 3HG2 VAL 16 3HG2 VAL 16 2.037 4.946 -9.928 121 H GLU 17 H GLU 17 -1.389 7.308 -7.772 122 HA GLU 17 HA GLU 17 -3.127 4.962 -7.143 123 1HB GLU 17 HB2 GLU 17 -4.922 6.750 -7.687 124 2HB GLU 17 HB3 GLU 17 -4.160 6.737 -6.107 125 1HG GLU 17 HG2 GLU 17 -4.472 9.028 -6.988 126 2HG GLU 17 HG3 GLU 17 -2.777 8.606 -6.638 127 H THR 18 H THR 18 -1.672 6.780 -9.682 128 HA THR 18 HA THR 18 -2.981 5.040 -11.691 129 HB THR 18 HB THR 18 -2.432 8.053 -11.759 130 HG1 THR 18 HG1 THR 18 -4.247 7.918 -10.798 131 1HG2 THR 18 1HG2 THR 18 -3.074 6.098 -13.981 132 2HG2 THR 18 2HG2 THR 18 -4.012 7.609 -13.908 133 3HG2 THR 18 3HG2 THR 18 -2.245 7.665 -14.028 134 H ARG 19 H ARG 19 -1.514 4.146 -13.133 135 HA ARG 19 HA ARG 19 1.226 5.242 -13.254 136 1HB ARG 19 HB2 ARG 19 2.352 3.172 -12.819 137 2HB ARG 19 HB3 ARG 19 1.272 3.439 -11.456 138 1HG ARG 19 HG2 ARG 19 -0.338 1.835 -12.408 139 2HG ARG 19 HG3 ARG 19 0.696 1.625 -13.839 140 1HD ARG 19 HD2 ARG 19 2.239 0.330 -12.811 141 2HD ARG 19 HD3 ARG 19 1.775 0.782 -11.181 142 HE ARG 19 HE ARG 19 -0.516 -0.306 -11.913 143 1HH1 ARG 19 1HH2 ARG 19 2.712 -1.773 -12.153 144 2HH1 ARG 19 2HH2 ARG 19 2.148 -3.293 -12.668 145 1HH2 ARG 19 2HH1 ARG 19 -1.255 -2.434 -12.734 146 2HH2 ARG 19 1HH1 ARG 19 -0.043 -3.640 -12.997 147 H TRP 20 H TRP 20 2.530 4.036 -14.817 148 HA TRP 20 HA TRP 20 1.127 2.991 -17.230 149 1HB TRP 20 HB2 TRP 20 3.816 4.333 -16.825 150 2HB TRP 20 HB3 TRP 20 3.282 3.630 -18.349 151 HD1 TRP 20 HD1 TRP 20 2.699 6.591 -16.077 152 HE1 TRP 20 HE1 TRP 20 1.054 8.251 -17.118 153 HE3 TRP 20 HE3 TRP 20 1.408 3.939 -20.230 154 HZ2 TRP 20 HZ2 TRP 20 -0.654 8.393 -19.421 155 HZ3 TRP 20 HZ3 TRP 20 -0.217 4.869 -21.886 156 HH2 TRP 20 HH2 TRP 20 -1.299 7.081 -21.437 157 H HIS 21 H HIS 21 1.853 0.855 -17.669 158 HA HIS 21 HA HIS 21 3.804 -0.370 -15.750 159 1HB HIS 21 HB2 HIS 21 1.909 -0.871 -14.677 160 2HB HIS 21 HB3 HIS 21 0.880 -0.864 -16.087 161 HD2 HIS 21 HD2 HIS 21 3.929 -3.239 -16.150 162 HE1 HIS 21 HE1 HIS 21 0.476 -5.622 -15.547 163 HE2 HIS 21 HE2 HIS 21 2.972 -5.658 -15.991 164 H CYS 22 H CYS 22 5.312 -1.328 -16.834 165 HA CYS 22 HA CYS 22 5.366 -1.873 -19.655 166 1HB CYS 22 HB2 CYS 22 7.037 -2.024 -17.180 167 2HB CYS 22 HB3 CYS 22 7.450 -3.201 -18.379 168 H THR 23 H THR 23 4.446 -3.450 -20.623 169 HA THR 23 HA THR 23 3.962 -6.011 -19.167 170 HB THR 23 HB THR 23 2.308 -6.552 -20.997 171 HG1 THR 23 HG1 THR 23 3.274 -4.250 -22.002 172 1HG2 THR 23 1HG2 THR 23 1.937 -4.043 -19.408 173 2HG2 THR 23 2HG2 THR 23 0.625 -5.160 -19.968 174 3HG2 THR 23 3HG2 THR 23 1.771 -5.707 -18.759 175 H VAL 24 H VAL 24 6.354 -4.893 -20.460 176 HA VAL 24 HA VAL 24 7.412 -6.984 -22.211 177 HB VAL 24 HB VAL 24 7.558 -4.719 -22.976 178 1HG1 VAL 24 1HG1 VAL 24 7.032 -3.053 -21.713 179 2HG1 VAL 24 2HG1 VAL 24 7.523 -3.833 -20.226 180 3HG1 VAL 24 3HG1 VAL 24 8.738 -3.015 -21.160 181 1HG2 VAL 24 1HG2 VAL 24 9.932 -4.108 -22.944 182 2HG2 VAL 24 2HG2 VAL 24 10.191 -5.078 -21.502 183 3HG2 VAL 24 3HG2 VAL 24 9.816 -5.888 -23.034 184 H CYS 25 H CYS 25 8.376 -4.930 -19.479 185 HA CYS 25 HA CYS 25 10.216 -6.758 -18.271 186 1HB CYS 25 HB2 CYS 25 8.870 -4.278 -17.140 187 2HB CYS 25 HB3 CYS 25 10.463 -4.892 -16.690 188 H GLU 26 H GLU 26 9.969 -6.972 -15.777 189 HA GLU 26 HA GLU 26 7.640 -8.636 -15.278 190 1HB GLU 26 HB2 GLU 26 10.351 -8.693 -14.578 191 2HB GLU 26 HB3 GLU 26 9.569 -8.295 -13.060 192 1HG GLU 26 HG2 GLU 26 7.967 -10.229 -13.539 193 2HG GLU 26 HG3 GLU 26 8.999 -10.641 -14.907 194 H ASP 27 H ASP 27 6.125 -6.889 -15.474 195 HA ASP 27 HA ASP 27 4.626 -5.361 -14.650 196 1HB ASP 27 HB2 ASP 27 4.016 -7.297 -13.330 197 2HB ASP 27 HB3 ASP 27 5.203 -6.879 -12.081 198 H TYR 28 H TYR 28 7.195 -4.434 -14.912 199 HA TYR 28 HA TYR 28 8.026 -2.615 -12.864 200 1HB TYR 28 HB2 TYR 28 9.440 -3.493 -14.723 201 2HB TYR 28 HB3 TYR 28 8.380 -2.741 -15.887 202 HD1 TYR 28 HD1 TYR 28 11.405 -2.370 -14.019 203 HD2 TYR 28 HD2 TYR 28 8.250 -0.170 -15.989 204 HE1 TYR 28 HE1 TYR 28 12.874 -0.373 -14.173 205 HE2 TYR 28 HE2 TYR 28 9.701 1.811 -16.131 206 HH TYR 28 HH TYR 28 11.695 2.706 -15.576 207 H ASP 29 H ASP 29 7.394 -0.488 -12.494 208 HA ASP 29 HA ASP 29 5.020 0.504 -14.061 209 1HB ASP 29 HB2 ASP 29 5.557 1.518 -11.290 210 2HB ASP 29 HB3 ASP 29 4.041 1.257 -12.101 211 H LEU 30 H LEU 30 4.704 2.812 -14.109 212 HA LEU 30 HA LEU 30 6.794 4.505 -12.987 213 1HB LEU 30 HB2 LEU 30 5.867 4.583 -15.890 214 2HB LEU 30 HB3 LEU 30 6.775 5.863 -15.071 215 HG LEU 30 HG LEU 30 7.749 3.022 -15.622 216 1HD1 LEU 30 1HD1 LEU 30 9.307 4.132 -17.166 217 2HD1 LEU 30 2HD1 LEU 30 7.625 4.457 -17.628 218 3HD1 LEU 30 3HD1 LEU 30 8.581 5.695 -16.794 219 1HD2 LEU 30 1HD2 LEU 30 9.408 5.348 -14.607 220 2HD2 LEU 30 2HD2 LEU 30 8.762 4.125 -13.513 221 3HD2 LEU 30 3HD2 LEU 30 9.883 3.628 -14.768 222 H CYS 31 H CYS 31 5.897 6.415 -12.140 223 HA CYS 31 HA CYS 31 3.059 6.975 -12.375 224 1HB CYS 31 HB2 CYS 31 3.659 9.071 -11.299 225 2HB CYS 31 HB3 CYS 31 4.329 7.723 -10.394 226 H ILE 32 H ILE 32 2.372 9.100 -13.228 227 HA ILE 32 HA ILE 32 2.737 9.215 -15.959 228 HB ILE 32 HB ILE 32 1.891 11.517 -14.136 229 1HG1 ILE 32 2HG1 ILE 32 0.458 9.622 -13.548 230 2HG1 ILE 32 3HG1 ILE 32 -0.435 10.862 -14.398 231 1HG2 ILE 32 1HG2 ILE 32 1.471 10.966 -17.080 232 2HG2 ILE 32 2HG2 ILE 32 0.526 12.164 -16.144 233 3HG2 ILE 32 3HG2 ILE 32 2.303 12.327 -16.302 234 1HD1 ILE 32 1HD1 ILE 32 -1.273 8.962 -15.358 235 2HD1 ILE 32 2HD1 ILE 32 -0.070 9.408 -16.539 236 3HD1 ILE 32 3HD1 ILE 32 0.296 8.113 -15.349 237 H ASN 33 H ASN 33 4.462 11.056 -13.457 238 HA ASN 33 HA ASN 33 5.826 12.845 -15.274 239 1HB ASN 33 HB2 ASN 33 5.706 13.483 -12.923 240 2HB ASN 33 HB3 ASN 33 6.375 11.946 -12.395 241 1HD2 ASN 33 2HD2 ASN 33 8.664 11.565 -12.433 242 2HD2 ASN 33 1HD2 ASN 33 9.764 12.900 -12.759 243 H CYS 34 H CYS 34 6.762 9.736 -13.778 244 HA CYS 34 HA CYS 34 9.401 9.851 -14.916 245 1HB CYS 34 HB2 CYS 34 7.758 7.722 -13.499 246 2HB CYS 34 HB3 CYS 34 9.330 7.363 -14.235 247 H TYR 35 H TYR 35 6.319 8.305 -15.903 248 HA TYR 35 HA TYR 35 7.320 6.968 -18.219 249 1HB TYR 35 HB2 TYR 35 5.094 6.568 -17.366 250 2HB TYR 35 HB3 TYR 35 4.627 8.240 -17.656 251 HD1 TYR 35 HD1 TYR 35 6.079 5.287 -19.541 252 HD2 TYR 35 HD2 TYR 35 3.373 8.664 -19.614 253 HE1 TYR 35 HE1 TYR 35 5.277 4.583 -21.736 254 HE2 TYR 35 HE2 TYR 35 2.564 7.952 -21.830 255 HH TYR 35 HH TYR 35 3.766 4.990 -23.434 256 H ASN 36 H ASN 36 6.227 10.318 -17.701 257 HA ASN 36 HA ASN 36 6.563 11.341 -20.302 258 1HB ASN 36 HB2 ASN 36 6.261 12.411 -17.561 259 2HB ASN 36 HB3 ASN 36 7.129 13.497 -18.598 260 1HD2 ASN 36 2HD2 ASN 36 4.059 11.908 -18.069 261 2HD2 ASN 36 1HD2 ASN 36 3.136 12.937 -19.181 262 H THR 37 H THR 37 8.866 11.542 -17.501 263 HA THR 37 HA THR 37 10.872 12.746 -19.255 264 HB THR 37 HB THR 37 12.116 13.019 -17.092 265 HG1 THR 37 HG1 THR 37 9.736 12.204 -15.840 266 1HG2 THR 37 1HG2 THR 37 10.619 14.790 -17.946 267 2HG2 THR 37 2HG2 THR 37 9.236 14.066 -17.095 268 3HG2 THR 37 3HG2 THR 37 10.599 14.741 -16.182 269 H LYS 38 H LYS 38 10.572 9.654 -17.559 270 HA LYS 38 HA LYS 38 13.349 8.925 -18.200 271 1HB LYS 38 HB2 LYS 38 11.179 7.073 -17.189 272 2HB LYS 38 HB3 LYS 38 12.909 6.881 -17.012 273 1HG LYS 38 HG2 LYS 38 11.269 9.066 -15.629 274 2HG LYS 38 HG3 LYS 38 11.697 7.534 -14.906 275 1HD LYS 38 HD2 LYS 38 14.093 8.142 -14.962 276 2HD LYS 38 HD3 LYS 38 13.698 9.602 -15.868 277 1HE LYS 38 HE2 LYS 38 14.034 10.121 -13.496 278 2HE LYS 38 HE3 LYS 38 12.367 10.478 -14.030 279 1HZ LYS 38 HZ1 LYS 38 12.533 9.305 -11.827 280 2HZ LYS 38 HZ2 LYS 38 11.666 8.471 -12.922 281 3HZ LYS 38 HZ3 LYS 38 13.201 8.025 -12.586 282 H SER 39 H SER 39 10.542 9.167 -19.907 283 HA SER 39 HA SER 39 9.550 8.139 -21.670 284 1HB SER 39 HB2 SER 39 12.348 8.562 -22.767 285 2HB SER 39 HB3 SER 39 10.820 8.729 -23.636 286 HG SER 39 HG SER 39 10.347 10.483 -22.097 287 H HIS 40 H HIS 40 10.125 5.999 -20.071 288 HA HIS 40 HA HIS 40 11.551 3.860 -21.345 289 1HB HIS 40 HB2 HIS 40 10.660 4.325 -18.892 290 2HB HIS 40 HB3 HIS 40 9.221 3.463 -19.468 291 HD1 HIS 40 HD1 HIS 40 12.690 2.872 -18.082 292 HD2 HIS 40 HD2 HIS 40 9.667 0.772 -20.141 293 HE1 HIS 40 HE1 HIS 40 13.035 0.431 -17.552 294 H THR 41 H THR 41 11.016 3.696 -23.420 295 HA THR 41 HA THR 41 8.443 4.154 -24.447 296 HB THR 41 HB THR 41 10.531 2.839 -26.157 297 HG1 THR 41 HG1 THR 41 11.115 5.130 -24.641 298 1HG2 THR 41 1HG2 THR 41 9.109 5.519 -26.304 299 2HG2 THR 41 2HG2 THR 41 10.194 4.860 -27.552 300 3HG2 THR 41 3HG2 THR 41 8.649 4.047 -27.196 301 H HIS 42 H HIS 42 8.873 1.283 -22.831 302 HA HIS 42 HA HIS 42 8.527 -0.519 -25.026 303 1HB HIS 42 HB2 HIS 42 8.107 -0.958 -22.094 304 2HB HIS 42 HB3 HIS 42 8.432 -2.179 -23.377 305 HD2 HIS 42 HD2 HIS 42 10.982 -0.605 -24.714 306 HE1 HIS 42 HE1 HIS 42 12.666 -1.115 -20.835 307 HE2 HIS 42 HE2 HIS 42 13.185 -0.632 -23.283 308 H LYS 43 H LYS 43 6.862 -2.300 -24.781 309 HA LYS 43 HA LYS 43 4.268 -1.198 -25.283 310 1HB LYS 43 HB2 LYS 43 5.378 -3.225 -26.332 311 2HB LYS 43 HB3 LYS 43 4.977 -4.147 -24.890 312 1HG LYS 43 HG2 LYS 43 2.865 -2.553 -26.407 313 2HG LYS 43 HG3 LYS 43 3.412 -4.104 -27.018 314 1HD LYS 43 HD2 LYS 43 1.690 -4.955 -25.832 315 2HD LYS 43 HD3 LYS 43 2.781 -4.817 -24.460 316 1HE LYS 43 HE2 LYS 43 1.867 -2.455 -24.123 317 2HE LYS 43 HE3 LYS 43 0.682 -2.793 -25.393 318 1HZ LYS 43 HZ1 LYS 43 -0.246 -4.480 -24.023 319 2HZ LYS 43 HZ2 LYS 43 0.971 -4.287 -22.890 320 3HZ LYS 43 HZ3 LYS 43 -0.100 -3.082 -23.137 321 H MET 44 H MET 44 3.355 -0.250 -23.591 322 HA MET 44 HA MET 44 3.222 -1.582 -20.923 323 1HB MET 44 HB2 MET 44 3.254 1.302 -21.876 324 2HB MET 44 HB3 MET 44 2.674 0.879 -20.253 325 1HG MET 44 HG2 MET 44 4.653 0.066 -19.532 326 2HG MET 44 HG3 MET 44 5.401 -0.046 -21.125 327 1HE MET 44 HE1 MET 44 6.272 1.200 -18.047 328 2HE MET 44 HE2 MET 44 5.955 2.957 -17.894 329 3HE MET 44 HE3 MET 44 4.616 1.802 -17.901 330 H VAL 45 H VAL 45 1.292 -0.644 -19.650 331 HA VAL 45 HA VAL 45 -1.264 -0.454 -21.045 332 HB VAL 45 HB VAL 45 -2.149 -1.691 -19.112 333 1HG1 VAL 45 1HG1 VAL 45 -0.373 -3.376 -20.915 334 2HG1 VAL 45 2HG1 VAL 45 -1.862 -3.895 -20.100 335 3HG1 VAL 45 3HG1 VAL 45 -1.969 -2.681 -21.385 336 1HG2 VAL 45 1HG2 VAL 45 -0.716 -3.361 -17.953 337 2HG2 VAL 45 2HG2 VAL 45 0.710 -2.604 -18.641 338 3HG2 VAL 45 3HG2 VAL 45 -0.342 -1.661 -17.584 339 H LYS 46 H LYS 46 -2.734 0.563 -19.087 340 HA LYS 46 HA LYS 46 -1.181 2.376 -17.379 341 1HB LYS 46 HB2 LYS 46 -1.510 3.500 -19.600 342 2HB LYS 46 HB3 LYS 46 -3.253 3.327 -19.425 343 1HG LYS 46 HG2 LYS 46 -1.445 4.915 -17.524 344 2HG LYS 46 HG3 LYS 46 -2.264 5.584 -18.933 345 1HD LYS 46 HD2 LYS 46 -4.472 4.774 -17.804 346 2HD LYS 46 HD3 LYS 46 -3.470 4.640 -16.351 347 1HE LYS 46 HE2 LYS 46 -4.265 6.814 -16.170 348 2HE LYS 46 HE3 LYS 46 -2.670 7.073 -16.934 349 1HZ LYS 46 HZ1 LYS 46 -5.360 7.262 -18.076 350 2HZ LYS 46 HZ2 LYS 46 -4.251 8.372 -17.955 351 3HZ LYS 46 HZ3 LYS 46 -4.026 7.206 -19.084 352 H TRP 47 H TRP 47 -2.323 2.541 -15.483 353 HA TRP 47 HA TRP 47 -5.155 1.606 -15.401 354 1HB TRP 47 HB2 TRP 47 -3.062 0.949 -13.309 355 2HB TRP 47 HB3 TRP 47 -4.697 0.336 -13.425 356 HD1 TRP 47 HD1 TRP 47 -1.201 -0.463 -14.353 357 HE1 TRP 47 HE1 TRP 47 -1.033 -2.499 -15.859 358 HE3 TRP 47 HE3 TRP 47 -6.080 -0.765 -15.859 359 HZ2 TRP 47 HZ2 TRP 47 -2.754 -3.983 -17.664 360 HZ3 TRP 47 HZ3 TRP 47 -6.730 -2.387 -17.631 361 HH2 TRP 47 HH2 TRP 47 -5.064 -3.997 -18.521 362 H GLY 48 H GLY 48 -6.211 3.497 -14.804 363 1HA GLY 48 HA2 GLY 48 -4.786 5.310 -12.949 364 2HA GLY 48 HA3 GLY 48 -5.565 5.911 -14.440 365 H LEU 49 H LEU 49 -5.927 6.339 -11.537 366 HA LEU 49 HA LEU 49 -8.824 5.973 -11.466 367 1HB LEU 49 HB2 LEU 49 -6.909 4.962 -9.347 368 2HB LEU 49 HB3 LEU 49 -8.589 5.223 -8.993 369 HG LEU 49 HG LEU 49 -7.556 3.334 -11.149 370 1HD1 LEU 49 1HD1 LEU 49 -8.169 1.547 -9.640 371 2HD1 LEU 49 2HD1 LEU 49 -7.063 2.688 -8.837 372 3HD1 LEU 49 3HD1 LEU 49 -8.809 2.713 -8.463 373 1HD2 LEU 49 1HD2 LEU 49 -9.844 4.107 -11.747 374 2HD2 LEU 49 2HD2 LEU 49 -9.863 2.430 -11.229 375 3HD2 LEU 49 3HD2 LEU 49 -10.423 3.691 -10.111 376 H GLY 50 H GLY 50 -6.491 8.227 -11.516 377 1HA GLY 50 HA2 GLY 50 -8.208 10.110 -10.080 378 2HA GLY 50 HA3 GLY 50 -6.647 9.803 -9.292 379 H LEU 51 H LEU 51 -4.735 9.952 -10.873 380 HA LEU 51 HA LEU 51 -4.904 12.474 -12.432 381 1HB LEU 51 HB2 LEU 51 -2.614 10.867 -11.206 382 2HB LEU 51 HB3 LEU 51 -2.351 12.133 -12.405 383 HG LEU 51 HG LEU 51 -3.364 13.821 -10.944 384 1HD1 LEU 51 1HD1 LEU 51 -4.860 12.584 -9.529 385 2HD1 LEU 51 2HD1 LEU 51 -3.537 11.569 -8.898 386 3HD1 LEU 51 3HD1 LEU 51 -3.637 13.308 -8.485 387 1HD2 LEU 51 1HD2 LEU 51 -1.447 13.911 -9.343 388 2HD2 LEU 51 2HD2 LEU 51 -1.154 12.186 -9.624 389 3HD2 LEU 51 3HD2 LEU 51 -0.910 13.381 -10.936 390 H ASP 52 H ASP 52 -6.314 10.907 -13.879 391 HA ASP 52 HA ASP 52 -4.928 8.833 -15.294 392 1HB ASP 52 HB2 ASP 52 -7.440 9.014 -14.931 393 2HB ASP 52 HB3 ASP 52 -7.470 10.220 -16.242
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