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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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6150 |
1iio ![]() ![]() |
4996 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY -3 HT1 GLY -3 -19.413 0.667 7.246 2 2H GLY -3 HT2 GLY -3 -18.571 -0.157 8.460 3 3H GLY -3 HT3 GLY -3 -20.212 -0.479 8.202 4 1HA GLY -3 HA2 GLY -3 -17.884 -1.480 6.807 5 2HA GLY -3 HA1 GLY -3 -19.460 -2.223 7.035 6 H SER -2 HN SER -2 -21.116 -0.293 5.944 7 HA SER -2 HA SER -2 -21.009 -0.907 3.217 8 1HB SER -2 HB2 SER -2 -23.091 -0.268 4.337 9 2HB SER -2 HB3 SER -2 -22.468 1.361 4.594 10 HG SER -2 HG SER -2 -23.886 1.000 2.706 11 H HIS -1 HN HIS -1 -20.205 0.109 1.453 12 HA HIS -1 HA HIS -1 -19.214 2.809 1.557 13 1HB HIS -1 HB2 HIS -1 -17.266 0.516 1.224 14 2HB HIS -1 HB3 HIS -1 -16.885 2.213 0.950 15 HD1 HIS -1 HD1 HIS -1 -17.600 3.712 3.281 16 HD2 HIS -1 HD2 HIS -1 -16.425 -0.256 3.659 17 HE1 HIS -1 HE1 HIS -1 -16.870 3.452 5.674 18 HE2 HIS -1 HE2 HIS -1 -16.088 1.064 5.857 19 H MET 1 HN MET 1 -19.342 3.719 -0.404 20 HA MET 1 HA MET 1 -20.468 2.299 -2.570 21 1HB MET 1 HB2 MET 1 -19.157 5.023 -2.524 22 2HB MET 1 HB3 MET 1 -20.141 4.394 -3.838 23 1HG MET 1 HG2 MET 1 -22.066 4.274 -2.342 24 2HG MET 1 HG3 MET 1 -21.080 4.902 -1.024 25 1HE MET 1 HE1 MET 1 -23.703 7.658 -2.135 26 2HE MET 1 HE2 MET 1 -23.679 5.991 -1.562 27 3HE MET 1 HE3 MET 1 -22.835 7.247 -0.658 28 H LYS 2 HN LYS 2 -17.203 3.615 -2.051 29 HA LYS 2 HA LYS 2 -15.191 3.115 -2.992 30 1HB LYS 2 HB2 LYS 2 -16.660 0.555 -3.618 31 2HB LYS 2 HB3 LYS 2 -14.958 0.795 -3.989 32 1HG LYS 2 HG2 LYS 2 -16.147 1.009 -1.231 33 2HG LYS 2 HG3 LYS 2 -15.355 -0.429 -1.879 34 1HD LYS 2 HD2 LYS 2 -13.289 0.845 -2.186 35 2HD LYS 2 HD3 LYS 2 -14.080 2.288 -1.550 36 1HE LYS 2 HE2 LYS 2 -12.674 1.154 0.127 37 2HE LYS 2 HE3 LYS 2 -14.372 1.227 0.600 38 1HZ LYS 2 HZ1 LYS 2 -14.461 -0.973 0.706 39 2HZ LYS 2 HZ2 LYS 2 -12.784 -1.015 0.487 40 3HZ LYS 2 HZ3 LYS 2 -13.815 -1.156 -0.847 41 H MET 3 HN MET 3 -14.283 3.896 -4.794 42 HA MET 3 HA MET 3 -15.881 4.583 -7.036 43 1HB MET 3 HB2 MET 3 -12.873 4.604 -6.725 44 2HB MET 3 HB3 MET 3 -13.765 5.378 -8.028 45 1HG MET 3 HG2 MET 3 -13.954 6.067 -5.105 46 2HG MET 3 HG3 MET 3 -13.086 6.983 -6.335 47 1HE MET 3 HE1 MET 3 -15.562 8.628 -8.470 48 2HE MET 3 HE2 MET 3 -14.141 7.584 -8.488 49 3HE MET 3 HE3 MET 3 -15.732 6.916 -8.855 50 H GLY 4 HN GLY 4 -13.150 2.310 -6.695 51 1HA GLY 4 HA1 GLY 4 -14.024 0.099 -7.882 52 2HA GLY 4 HA2 GLY 4 -13.802 1.136 -9.282 53 H VAL 5 HN VAL 5 -11.495 2.509 -8.342 54 HA VAL 5 HA VAL 5 -9.502 0.715 -9.207 55 HB VAL 5 HB VAL 5 -9.517 3.286 -9.319 56 1HG1 VAL 5 HG11 VAL 5 -7.920 2.994 -6.792 57 2HG1 VAL 5 HG12 VAL 5 -8.422 4.488 -7.597 58 3HG1 VAL 5 HG13 VAL 5 -9.622 3.477 -6.789 59 1HG2 VAL 5 HG21 VAL 5 -7.760 2.111 -10.347 60 2HG2 VAL 5 HG22 VAL 5 -7.025 3.369 -9.359 61 3HG2 VAL 5 HG23 VAL 5 -7.039 1.703 -8.789 62 H LYS 6 HN LYS 6 -10.944 0.862 -6.165 63 HA LYS 6 HA LYS 6 -8.921 0.757 -4.336 64 1HB LYS 6 HB2 LYS 6 -11.216 0.489 -3.633 65 2HB LYS 6 HB3 LYS 6 -11.355 -1.029 -4.509 66 1HG LYS 6 HG2 LYS 6 -9.699 -2.030 -2.983 67 2HG LYS 6 HG3 LYS 6 -9.649 -0.514 -2.081 68 1HD LYS 6 HD2 LYS 6 -11.993 -0.725 -1.527 69 2HD LYS 6 HD3 LYS 6 -12.128 -2.177 -2.522 70 1HE LYS 6 HE2 LYS 6 -10.418 -1.872 -0.055 71 2HE LYS 6 HE3 LYS 6 -11.956 -2.728 -0.144 72 1HZ LYS 6 HZ1 LYS 6 -9.461 -3.444 -1.586 73 2HZ LYS 6 HZ2 LYS 6 -10.944 -4.237 -1.769 74 3HZ LYS 6 HZ3 LYS 6 -10.142 -4.279 -0.281 75 H GLU 7 HN GLU 7 -10.016 -1.866 -6.439 76 HA GLU 7 HA GLU 7 -7.893 -3.627 -5.610 77 1HB GLU 7 HB2 GLU 7 -9.820 -3.829 -7.938 78 2HB GLU 7 HB3 GLU 7 -8.731 -5.104 -7.407 79 1HG GLU 7 HG2 GLU 7 -9.885 -5.198 -5.259 80 2HG GLU 7 HG3 GLU 7 -10.975 -3.918 -5.789 81 H ASP 8 HN ASP 8 -8.470 -1.343 -8.225 82 HA ASP 8 HA ASP 8 -6.414 -2.177 -9.935 83 1HB ASP 8 HB2 ASP 8 -7.967 0.310 -9.661 84 2HB ASP 8 HB3 ASP 8 -6.590 0.276 -10.753 85 H ILE 9 HN ILE 9 -6.394 0.467 -7.560 86 HA ILE 9 HA ILE 9 -3.670 1.132 -7.914 87 HB ILE 9 HB ILE 9 -5.667 1.694 -5.726 88 1HG1 ILE 9 HG12 ILE 9 -4.180 3.473 -7.668 89 2HG1 ILE 9 HG13 ILE 9 -5.853 2.955 -7.819 90 1HG2 ILE 9 HG21 ILE 9 -2.739 1.909 -5.577 91 2HG2 ILE 9 HG22 ILE 9 -3.619 3.364 -5.108 92 3HG2 ILE 9 HG23 ILE 9 -3.943 1.835 -4.290 93 1HD1 ILE 9 HD11 ILE 9 -6.218 4.094 -5.565 94 2HD1 ILE 9 HD12 ILE 9 -4.656 4.862 -5.854 95 3HD1 ILE 9 HD13 ILE 9 -5.986 5.118 -6.983 96 H ARG 10 HN ARG 10 -5.431 -0.893 -5.594 97 HA ARG 10 HA ARG 10 -3.262 -1.726 -4.026 98 1HB ARG 10 HB2 ARG 10 -5.795 -2.195 -3.703 99 2HB ARG 10 HB3 ARG 10 -5.558 -3.528 -4.817 100 1HG ARG 10 HG2 ARG 10 -3.882 -4.486 -3.304 101 2HG ARG 10 HG3 ARG 10 -4.179 -3.168 -2.168 102 1HD ARG 10 HD2 ARG 10 -5.410 -5.177 -1.529 103 2HD ARG 10 HD3 ARG 10 -6.504 -3.861 -1.949 104 HE ARG 10 HE ARG 10 -7.353 -5.195 -3.582 105 1HH1 ARG 10 HH12 ARG 10 -4.129 -6.320 -2.851 106 2HH1 ARG 10 HH11 ARG 10 -4.199 -7.632 -3.978 107 1HH2 ARG 10 HH22 ARG 10 -7.445 -6.924 -5.059 108 2HH2 ARG 10 HH21 ARG 10 -6.080 -7.976 -5.229 109 H GLY 11 HN GLY 11 -4.360 -2.615 -7.207 110 1HA GLY 11 HA1 GLY 11 -2.845 -5.007 -7.506 111 2HA GLY 11 HA2 GLY 11 -3.434 -3.987 -8.820 112 H GLN 12 HN GLN 12 -2.235 -1.611 -8.076 113 HA GLN 12 HA GLN 12 0.367 -1.908 -9.177 114 1HB GLN 12 HB2 GLN 12 -0.845 0.474 -7.754 115 2HB GLN 12 HB3 GLN 12 0.564 0.499 -8.801 116 1HG GLN 12 HG2 GLN 12 -0.845 -0.175 -10.692 117 2HG GLN 12 HG3 GLN 12 -2.251 -0.153 -9.629 118 1HE2 GLN 12 HE21 GLN 12 -0.620 1.568 -11.883 119 2HE2 GLN 12 HE22 GLN 12 -1.146 3.162 -11.475 120 H ILE 13 HN ILE 13 -0.964 -1.683 -5.961 121 HA ILE 13 HA ILE 13 1.469 -1.126 -4.595 122 HB ILE 13 HB ILE 13 -1.097 -2.325 -3.550 123 1HG1 ILE 13 HG12 ILE 13 -0.067 0.519 -3.503 124 2HG1 ILE 13 HG13 ILE 13 -1.379 -0.080 -4.512 125 1HG2 ILE 13 HG21 ILE 13 0.079 -2.750 -1.704 126 2HG2 ILE 13 HG22 ILE 13 1.474 -1.845 -2.291 127 3HG2 ILE 13 HG23 ILE 13 0.157 -1.004 -1.473 128 1HD1 ILE 13 HD11 ILE 13 -1.989 -0.747 -1.835 129 2HD1 ILE 13 HD12 ILE 13 -1.488 0.944 -1.872 130 3HD1 ILE 13 HD13 ILE 13 -2.810 0.394 -2.902 131 H ILE 14 HN ILE 14 -0.374 -4.108 -5.191 132 HA ILE 14 HA ILE 14 1.252 -5.848 -3.734 133 HB ILE 14 HB ILE 14 -0.572 -6.230 -6.081 134 1HG1 ILE 14 HG12 ILE 14 -1.568 -5.916 -3.876 135 2HG1 ILE 14 HG13 ILE 14 -1.843 -7.563 -4.433 136 1HG2 ILE 14 HG21 ILE 14 -0.197 -8.766 -5.538 137 2HG2 ILE 14 HG22 ILE 14 0.876 -7.928 -6.659 138 3HG2 ILE 14 HG23 ILE 14 1.385 -8.207 -4.995 139 1HD1 ILE 14 HD11 ILE 14 -1.263 -7.842 -2.225 140 2HD1 ILE 14 HD12 ILE 14 0.259 -8.133 -3.063 141 3HD1 ILE 14 HD13 ILE 14 -0.032 -6.582 -2.276 142 H GLY 15 HN GLY 15 1.377 -5.063 -7.217 143 1HA GLY 15 HA1 GLY 15 3.740 -6.551 -7.722 144 2HA GLY 15 HA2 GLY 15 3.099 -5.261 -8.735 145 H ALA 16 HN ALA 16 3.110 -3.257 -6.733 146 HA ALA 16 HA ALA 16 5.692 -2.196 -7.037 147 1HB ALA 16 HB1 ALA 16 3.271 -1.456 -5.445 148 2HB ALA 16 HB2 ALA 16 4.798 -0.623 -5.144 149 3HB ALA 16 HB3 ALA 16 4.075 -0.580 -6.752 150 H LEU 17 HN LEU 17 4.243 -4.156 -4.557 151 HA LEU 17 HA LEU 17 6.312 -3.703 -2.612 152 1HB LEU 17 HB2 LEU 17 3.948 -5.559 -2.770 153 2HB LEU 17 HB3 LEU 17 5.104 -5.630 -1.457 154 HG LEU 17 HG LEU 17 3.602 -3.108 -2.135 155 1HD1 LEU 17 HD11 LEU 17 2.709 -4.609 0.212 156 2HD1 LEU 17 HD12 LEU 17 1.776 -3.753 -1.015 157 3HD1 LEU 17 HD13 LEU 17 2.346 -5.390 -1.327 158 1HD2 LEU 17 HD21 LEU 17 5.769 -3.502 -0.539 159 2HD2 LEU 17 HD22 LEU 17 4.592 -2.206 -0.336 160 3HD2 LEU 17 HD23 LEU 17 4.448 -3.684 0.616 161 H ALA 18 HN ALA 18 5.568 -5.967 -5.125 162 HA ALA 18 HA ALA 18 7.141 -8.146 -4.377 163 1HB ALA 18 HB1 ALA 18 5.947 -8.720 -6.205 164 2HB ALA 18 HB2 ALA 18 6.052 -7.109 -6.914 165 3HB ALA 18 HB3 ALA 18 7.412 -8.223 -7.052 166 H GLY 19 HN GLY 19 9.282 -8.536 -4.311 167 1HA GLY 19 HA1 GLY 19 11.471 -8.227 -5.387 168 2HA GLY 19 HA2 GLY 19 11.068 -6.524 -5.534 169 H ALA 20 HN ALA 20 9.951 -6.290 -2.869 170 HA ALA 20 HA ALA 20 12.132 -5.414 -1.425 171 1HB ALA 20 HB1 ALA 20 10.678 -4.986 0.283 172 2HB ALA 20 HB2 ALA 20 9.532 -5.199 -1.040 173 3HB ALA 20 HB3 ALA 20 9.826 -6.519 0.092 174 H ASP 21 HN ASP 21 12.474 -6.314 0.951 175 HA ASP 21 HA ASP 21 14.005 -8.666 0.746 176 1HB ASP 21 HB2 ASP 21 12.897 -7.111 3.089 177 2HB ASP 21 HB3 ASP 21 13.917 -8.535 3.314 178 H PHE 22 HN PHE 22 12.191 -9.278 3.525 179 HA PHE 22 HA PHE 22 11.040 -11.616 2.430 180 1HB PHE 22 HB2 PHE 22 10.035 -11.989 4.541 181 2HB PHE 22 HB3 PHE 22 11.504 -11.118 4.926 182 HD1 PHE 22 HD1 PHE 22 11.193 -9.824 6.776 183 HD2 PHE 22 HD2 PHE 22 8.066 -9.998 3.906 184 HE1 PHE 22 HE1 PHE 22 9.890 -8.187 8.069 185 HE2 PHE 22 HE2 PHE 22 6.775 -8.335 5.153 186 HZ PHE 22 HZ PHE 22 7.688 -7.457 7.265 187 HA PRO 23 HA PRO 23 7.319 -10.128 0.652 188 1HB PRO 23 HB2 PRO 23 5.187 -11.188 1.963 189 2HB PRO 23 HB3 PRO 23 6.196 -12.108 0.850 190 1HG PRO 23 HG2 PRO 23 6.279 -12.008 3.840 191 2HG PRO 23 HG3 PRO 23 6.400 -13.413 2.762 192 1HD PRO 23 HD2 PRO 23 8.568 -12.283 3.890 193 2HD PRO 23 HD3 PRO 23 8.626 -12.997 2.267 194 H ILE 24 HN ILE 24 8.222 -8.068 1.901 195 HA ILE 24 HA ILE 24 7.198 -5.977 2.255 196 HB ILE 24 HB ILE 24 5.218 -7.473 3.944 197 1HG1 ILE 24 HG12 ILE 24 4.856 -7.903 1.609 198 2HG1 ILE 24 HG13 ILE 24 3.664 -6.706 2.106 199 1HG2 ILE 24 HG21 ILE 24 4.410 -4.823 3.245 200 2HG2 ILE 24 HG22 ILE 24 4.585 -5.549 4.838 201 3HG2 ILE 24 HG23 ILE 24 5.962 -4.772 4.075 202 1HD1 ILE 24 HD11 ILE 24 4.352 -5.642 0.269 203 2HD1 ILE 24 HD12 ILE 24 5.683 -5.110 1.295 204 3HD1 ILE 24 HD13 ILE 24 5.893 -6.493 0.223 205 H ASN 25 HN ASN 25 9.478 -6.330 3.277 206 HA ASN 25 HA ASN 25 9.765 -6.495 6.096 207 1HB ASN 25 HB2 ASN 25 11.431 -5.573 3.815 208 2HB ASN 25 HB3 ASN 25 11.907 -5.061 5.435 209 1HD2 ASN 25 HD21 ASN 25 13.354 -6.280 6.321 210 2HD2 ASN 25 HD22 ASN 25 13.533 -7.989 6.118 211 H SER 26 HN SER 26 7.748 -4.955 6.376 212 HA SER 26 HA SER 26 6.952 -2.954 7.125 213 1HB SER 26 HB2 SER 26 8.413 -1.598 8.453 214 2HB SER 26 HB3 SER 26 8.935 -3.263 8.680 215 HG SER 26 HG SER 26 10.121 -1.319 6.997 216 HA PRO 27 HA PRO 27 6.895 -0.149 3.815 217 1HB PRO 27 HB2 PRO 27 7.277 2.085 5.747 218 2HB PRO 27 HB3 PRO 27 6.041 1.881 4.501 219 1HG PRO 27 HG2 PRO 27 5.475 1.461 7.080 220 2HG PRO 27 HG3 PRO 27 4.768 0.448 5.806 221 1HD PRO 27 HD2 PRO 27 6.956 -0.178 7.727 222 2HD PRO 27 HD3 PRO 27 5.730 -1.248 7.015 223 H GLU 28 HN GLU 28 9.460 0.358 6.180 224 HA GLU 28 HA GLU 28 11.104 2.036 4.710 225 1HB GLU 28 HB2 GLU 28 12.000 -0.307 6.409 226 2HB GLU 28 HB3 GLU 28 12.969 1.097 5.975 227 1HG GLU 28 HG2 GLU 28 11.454 2.539 7.241 228 2HG GLU 28 HG3 GLU 28 10.487 1.131 7.681 229 H GLU 29 HN GLU 29 11.225 -1.522 4.787 230 HA GLU 29 HA GLU 29 13.005 -1.710 2.564 231 1HB GLU 29 HB2 GLU 29 12.792 -3.319 4.455 232 2HB GLU 29 HB3 GLU 29 11.236 -3.791 3.747 233 1HG GLU 29 HG2 GLU 29 13.043 -5.326 3.112 234 2HG GLU 29 HG3 GLU 29 12.352 -4.500 1.717 235 H LEU 30 HN LEU 30 9.630 -2.849 2.986 236 HA LEU 30 HA LEU 30 9.188 -3.679 0.405 237 1HB LEU 30 HB2 LEU 30 6.858 -3.532 0.859 238 2HB LEU 30 HB3 LEU 30 7.646 -3.942 2.369 239 HG LEU 30 HG LEU 30 7.586 -1.357 2.755 240 1HD1 LEU 30 HD11 LEU 30 6.322 -1.451 0.305 241 2HD1 LEU 30 HD12 LEU 30 4.997 -1.275 1.457 242 3HD1 LEU 30 HD13 LEU 30 6.312 -0.098 1.437 243 1HD2 LEU 30 HD21 LEU 30 6.472 -3.005 4.155 244 2HD2 LEU 30 HD22 LEU 30 5.449 -1.592 3.903 245 3HD2 LEU 30 HD23 LEU 30 5.132 -3.078 3.011 246 H MET 31 HN MET 31 8.790 -0.414 1.741 247 HA MET 31 HA MET 31 7.921 0.791 -0.674 248 1HB MET 31 HB2 MET 31 7.815 1.767 1.707 249 2HB MET 31 HB3 MET 31 9.498 2.214 1.459 250 1HG MET 31 HG2 MET 31 8.720 3.441 -0.609 251 2HG MET 31 HG3 MET 31 7.081 3.196 -0.015 252 1HE MET 31 HE1 MET 31 7.777 4.744 3.660 253 2HE MET 31 HE2 MET 31 6.337 4.485 2.680 254 3HE MET 31 HE3 MET 31 7.484 3.169 2.928 255 H ALA 32 HN ALA 32 11.027 -0.087 0.727 256 HA ALA 32 HA ALA 32 12.633 1.471 -1.046 257 1HB ALA 32 HB1 ALA 32 13.046 -0.380 1.093 258 2HB ALA 32 HB2 ALA 32 14.081 -0.820 -0.265 259 3HB ALA 32 HB3 ALA 32 14.164 0.804 0.418 260 H ALA 33 HN ALA 33 11.121 -1.671 -1.255 261 HA ALA 33 HA ALA 33 12.605 -2.653 -3.459 262 1HB ALA 33 HB1 ALA 33 10.963 -3.793 -1.714 263 2HB ALA 33 HB2 ALA 33 9.827 -3.575 -3.046 264 3HB ALA 33 HB3 ALA 33 11.311 -4.495 -3.295 265 H LEU 34 HN LEU 34 9.581 -0.850 -3.194 266 HA LEU 34 HA LEU 34 8.287 -1.001 -5.461 267 1HB LEU 34 HB2 LEU 34 9.184 1.466 -4.046 268 2HB LEU 34 HB3 LEU 34 8.289 1.622 -5.546 269 HG LEU 34 HG LEU 34 6.388 0.463 -4.609 270 1HD1 LEU 34 HD11 LEU 34 7.375 -1.196 -3.247 271 2HD1 LEU 34 HD12 LEU 34 8.193 0.007 -2.256 272 3HD1 LEU 34 HD13 LEU 34 6.441 -0.161 -2.166 273 1HD2 LEU 34 HD21 LEU 34 7.532 2.665 -2.930 274 2HD2 LEU 34 HD22 LEU 34 6.240 2.742 -4.126 275 3HD2 LEU 34 HD23 LEU 34 5.958 1.960 -2.573 276 HA PRO 35 HA PRO 35 11.002 -1.021 -8.947 277 1HB PRO 35 HB2 PRO 35 9.088 -0.216 -10.798 278 2HB PRO 35 HB3 PRO 35 9.383 -1.876 -10.275 279 1HG PRO 35 HG2 PRO 35 7.315 0.068 -9.335 280 2HG PRO 35 HG3 PRO 35 7.167 -1.675 -9.628 281 1HD PRO 35 HD2 PRO 35 7.378 -0.718 -7.153 282 2HD PRO 35 HD3 PRO 35 8.199 -2.223 -7.618 283 H ASN 36 HN ASN 36 9.051 1.815 -8.219 284 HA ASN 36 HA ASN 36 10.286 3.514 -10.137 285 1HB ASN 36 HB2 ASN 36 8.151 4.161 -9.405 286 2HB ASN 36 HB3 ASN 36 8.572 3.939 -7.713 287 1HD2 ASN 36 HD21 ASN 36 8.715 5.702 -6.637 288 2HD2 ASN 36 HD22 ASN 36 9.221 7.239 -7.219 289 H GLY 37 HN GLY 37 11.120 2.574 -6.878 290 1HA GLY 37 HA1 GLY 37 13.365 2.788 -6.088 291 2HA GLY 37 HA2 GLY 37 13.559 4.199 -7.115 292 HA PRO 38 HA PRO 38 12.526 6.686 -3.585 293 1HB PRO 38 HB2 PRO 38 11.532 8.918 -4.643 294 2HB PRO 38 HB3 PRO 38 13.196 8.423 -4.980 295 1HG PRO 38 HG2 PRO 38 10.751 8.143 -6.678 296 2HG PRO 38 HG3 PRO 38 12.396 8.605 -7.152 297 1HD PRO 38 HD2 PRO 38 11.321 6.067 -7.409 298 2HD PRO 38 HD3 PRO 38 13.056 6.425 -7.372 299 H ASP 39 HN ASP 39 10.565 4.720 -3.938 300 HA ASP 39 HA ASP 39 8.500 4.177 -3.217 301 1HB ASP 39 HB2 ASP 39 7.936 6.974 -2.336 302 2HB ASP 39 HB3 ASP 39 7.524 5.451 -1.550 303 H THR 40 HN THR 40 7.551 3.749 -5.162 304 HA THR 40 HA THR 40 6.611 5.711 -6.968 305 HB THR 40 HB THR 40 7.047 3.421 -7.711 306 HG1 THR 40 HG1 THR 40 4.291 4.085 -7.976 307 1HG2 THR 40 HG21 THR 40 5.137 1.745 -7.174 308 2HG2 THR 40 HG22 THR 40 4.884 2.766 -5.759 309 3HG2 THR 40 HG23 THR 40 6.441 1.978 -6.011 310 H THR 41 HN THR 41 4.555 6.497 -7.362 311 HA THR 41 HA THR 41 2.658 6.190 -5.133 312 HB THR 41 HB THR 41 2.744 8.402 -7.197 313 HG1 THR 41 HG1 THR 41 3.587 9.633 -5.397 314 1HG2 THR 41 HG21 THR 41 0.695 8.838 -6.424 315 2HG2 THR 41 HG22 THR 41 1.454 9.270 -4.892 316 3HG2 THR 41 HG23 THR 41 0.846 7.634 -5.144 317 H CYS 42 HN CYS 42 0.896 5.009 -5.509 318 HA CYS 42 HA CYS 42 0.216 4.258 -8.229 319 1HB CYS 42 HB2 CYS 42 -1.073 3.416 -5.624 320 2HB CYS 42 HB3 CYS 42 -1.342 2.682 -7.202 321 HG CYS 42 HG CYS 42 0.213 0.858 -5.944 322 H LYS 43 HN LYS 43 -0.182 6.929 -7.924 323 HA LYS 43 HA LYS 43 -2.869 7.557 -7.175 324 1HB LYS 43 HB2 LYS 43 -2.367 9.783 -8.101 325 2HB LYS 43 HB3 LYS 43 -1.122 9.238 -6.983 326 1HG LYS 43 HG2 LYS 43 0.302 8.614 -8.863 327 2HG LYS 43 HG3 LYS 43 -0.951 9.132 -9.992 328 1HD LYS 43 HD2 LYS 43 0.729 10.862 -9.779 329 2HD LYS 43 HD3 LYS 43 -0.792 11.416 -9.076 330 1HE LYS 43 HE2 LYS 43 0.047 10.839 -6.842 331 2HE LYS 43 HE3 LYS 43 1.572 10.319 -7.558 332 1HZ LYS 43 HZ1 LYS 43 0.478 13.048 -7.329 333 2HZ LYS 43 HZ2 LYS 43 1.639 12.685 -8.503 334 3HZ LYS 43 HZ3 LYS 43 1.999 12.470 -6.864 335 H SER 44 HN SER 44 -4.571 8.194 -8.528 336 HA SER 44 HA SER 44 -4.348 7.763 -11.390 337 1HB SER 44 HB2 SER 44 -6.229 6.116 -9.681 338 2HB SER 44 HB3 SER 44 -6.220 6.146 -11.445 339 HG SER 44 HG SER 44 -4.967 4.446 -10.972 340 H GLY 45 HN GLY 45 -5.530 9.258 -12.412 341 1HA GLY 45 HA1 GLY 45 -7.196 10.786 -12.858 342 2HA GLY 45 HA2 GLY 45 -8.133 10.058 -11.564 343 H ASP 46 HN ASP 46 -6.695 10.513 -9.337 344 HA ASP 46 HA ASP 46 -5.579 13.094 -9.106 345 1HB ASP 46 HB2 ASP 46 -7.398 14.174 -7.817 346 2HB ASP 46 HB3 ASP 46 -7.854 13.866 -9.489 347 H VAL 47 HN VAL 47 -7.344 10.485 -7.523 348 HA VAL 47 HA VAL 47 -6.342 10.924 -4.911 349 HB VAL 47 HB VAL 47 -7.279 8.312 -6.112 350 1HG1 VAL 47 HG11 VAL 47 -6.073 8.637 -3.734 351 2HG1 VAL 47 HG12 VAL 47 -7.742 8.969 -3.272 352 3HG1 VAL 47 HG13 VAL 47 -7.327 7.433 -4.032 353 1HG2 VAL 47 HG21 VAL 47 -8.816 10.599 -4.902 354 2HG2 VAL 47 HG22 VAL 47 -9.030 9.853 -6.486 355 3HG2 VAL 47 HG23 VAL 47 -9.474 8.967 -5.028 356 H GLU 48 HN GLU 48 -4.536 10.136 -3.880 357 HA GLU 48 HA GLU 48 -2.684 8.518 -5.505 358 1HB GLU 48 HB2 GLU 48 -1.759 10.592 -3.526 359 2HB GLU 48 HB3 GLU 48 -0.828 9.785 -4.782 360 1HG GLU 48 HG2 GLU 48 -2.041 10.990 -6.498 361 2HG GLU 48 HG3 GLU 48 -3.047 11.759 -5.273 362 H LEU 49 HN LEU 49 -1.851 6.760 -4.549 363 HA LEU 49 HA LEU 49 -1.888 6.531 -1.635 364 1HB LEU 49 HB2 LEU 49 -3.221 4.603 -3.529 365 2HB LEU 49 HB3 LEU 49 -2.767 4.162 -1.896 366 HG LEU 49 HG LEU 49 -5.092 4.681 -1.903 367 1HD1 LEU 49 HD11 LEU 49 -3.817 5.433 0.040 368 2HD1 LEU 49 HD12 LEU 49 -3.582 7.005 -0.723 369 3HD1 LEU 49 HD13 LEU 49 -5.204 6.476 -0.275 370 1HD2 LEU 49 HD21 LEU 49 -6.041 6.199 -3.213 371 2HD2 LEU 49 HD22 LEU 49 -5.018 7.485 -2.574 372 3HD2 LEU 49 HD23 LEU 49 -4.451 6.491 -3.916 373 H LYS 50 HN LYS 50 -0.251 5.336 -0.803 374 HA LYS 50 HA LYS 50 1.211 3.377 -2.191 375 1HB LYS 50 HB2 LYS 50 3.341 4.585 -2.504 376 2HB LYS 50 HB3 LYS 50 2.056 5.226 -3.520 377 1HG LYS 50 HG2 LYS 50 1.740 7.079 -1.975 378 2HG LYS 50 HG3 LYS 50 2.997 6.422 -0.926 379 1HD LYS 50 HD2 LYS 50 4.666 6.752 -2.627 380 2HD LYS 50 HD3 LYS 50 3.436 7.246 -3.789 381 1HE LYS 50 HE2 LYS 50 2.925 9.206 -2.444 382 2HE LYS 50 HE3 LYS 50 4.102 8.701 -1.235 383 1HZ LYS 50 HZ1 LYS 50 5.862 9.206 -2.612 384 2HZ LYS 50 HZ2 LYS 50 4.769 10.438 -2.996 385 3HZ LYS 50 HZ3 LYS 50 4.940 9.109 -4.028 386 H ALA 51 HN ALA 51 3.573 3.280 -1.024 387 HA ALA 51 HA ALA 51 2.968 2.599 1.646 388 1HB ALA 51 HB1 ALA 51 5.263 2.420 -0.134 389 2HB ALA 51 HB2 ALA 51 5.709 2.678 1.551 390 3HB ALA 51 HB3 ALA 51 4.700 1.304 1.108 391 H SER 52 HN SER 52 4.726 5.353 0.253 392 HA SER 52 HA SER 52 5.527 6.441 2.737 393 1HB SER 52 HB2 SER 52 6.662 7.051 0.676 394 2HB SER 52 HB3 SER 52 5.187 7.782 0.050 395 HG SER 52 HG SER 52 6.738 8.637 2.261 396 H ASP 53 HN ASP 53 2.868 7.384 0.548 397 HA ASP 53 HA ASP 53 1.841 9.347 2.319 398 1HB ASP 53 HB2 ASP 53 0.534 7.967 -0.031 399 2HB ASP 53 HB3 ASP 53 -0.101 9.391 0.787 400 H ALA 54 HN ALA 54 0.701 6.063 1.502 401 HA ALA 54 HA ALA 54 -1.327 6.218 3.570 402 1HB ALA 54 HB1 ALA 54 -2.053 4.045 2.767 403 2HB ALA 54 HB2 ALA 54 -1.857 5.174 1.426 404 3HB ALA 54 HB3 ALA 54 -0.635 3.940 1.727 405 H GLY 55 HN GLY 55 1.564 4.233 2.925 406 1HA GLY 55 HA1 GLY 55 1.490 2.467 5.006 407 2HA GLY 55 HA2 GLY 55 2.982 3.166 4.411 408 H GLN 56 HN GLN 56 2.061 5.892 5.267 409 HA GLN 56 HA GLN 56 3.413 6.265 7.581 410 1HB GLN 56 HB2 GLN 56 1.913 8.222 8.007 411 2HB GLN 56 HB3 GLN 56 2.553 8.147 6.368 412 1HG GLN 56 HG2 GLN 56 0.423 7.188 5.613 413 2HG GLN 56 HG3 GLN 56 -0.201 7.319 7.255 414 1HE2 GLN 56 HE21 GLN 56 -1.473 8.989 7.537 415 2HE2 GLN 56 HE22 GLN 56 -1.342 10.523 6.752 416 H VAL 57 HN VAL 57 0.104 5.145 7.289 417 HA VAL 57 HA VAL 57 -0.612 5.329 10.002 418 HB VAL 57 HB VAL 57 -2.465 3.828 9.418 419 1HG1 VAL 57 HG11 VAL 57 -3.230 5.839 8.779 420 2HG1 VAL 57 HG12 VAL 57 -1.731 6.247 7.938 421 3HG1 VAL 57 HG13 VAL 57 -2.956 5.257 7.137 422 1HG2 VAL 57 HG21 VAL 57 -2.519 3.231 6.874 423 2HG2 VAL 57 HG22 VAL 57 -0.765 3.341 7.010 424 3HG2 VAL 57 HG23 VAL 57 -1.655 2.192 8.006 425 H LEU 58 HN LEU 58 1.045 2.821 8.179 426 HA LEU 58 HA LEU 58 0.799 0.772 10.130 427 1HB LEU 58 HB2 LEU 58 3.036 1.055 8.127 428 2HB LEU 58 HB3 LEU 58 2.429 -0.418 8.857 429 HG LEU 58 HG LEU 58 0.920 1.309 6.893 430 1HD1 LEU 58 HD11 LEU 58 1.837 0.133 5.254 431 2HD1 LEU 58 HD12 LEU 58 2.947 -0.566 6.432 432 3HD1 LEU 58 HD13 LEU 58 1.434 -1.388 6.048 433 1HD2 LEU 58 HD21 LEU 58 0.178 -1.063 8.528 434 2HD2 LEU 58 HD22 LEU 58 -0.782 0.344 8.078 435 3HD2 LEU 58 HD23 LEU 58 -0.471 -0.924 6.894 436 H THR 59 HN THR 59 1.801 0.572 12.040 437 HA THR 59 HA THR 59 3.851 2.474 12.782 438 HB THR 59 HB THR 59 3.676 1.545 15.033 439 HG1 THR 59 HG1 THR 59 3.270 -0.656 14.373 440 1HG2 THR 59 HG21 THR 59 1.262 2.007 15.435 441 2HG2 THR 59 HG22 THR 59 1.018 2.035 13.688 442 3HG2 THR 59 HG23 THR 59 2.061 3.234 14.452 443 H ALA 60 HN ALA 60 5.499 1.247 14.482 444 HA ALA 60 HA ALA 60 7.396 0.008 12.813 445 1HB ALA 60 HB1 ALA 60 8.641 -0.413 14.927 446 2HB ALA 60 HB2 ALA 60 8.119 1.259 14.722 447 3HB ALA 60 HB3 ALA 60 7.242 0.189 15.816 448 H ASP 61 HN ASP 61 5.222 -1.339 15.278 449 HA ASP 61 HA ASP 61 6.139 -3.963 15.266 450 1HB ASP 61 HB2 ASP 61 3.298 -2.984 15.626 451 2HB ASP 61 HB3 ASP 61 3.892 -4.578 16.084 452 H ASP 62 HN ASP 62 4.335 -2.243 12.885 453 HA ASP 62 HA ASP 62 3.084 -4.380 11.559 454 1HB ASP 62 HB2 ASP 62 4.044 -1.758 10.413 455 2HB ASP 62 HB3 ASP 62 2.888 -2.848 9.667 456 H PHE 63 HN PHE 63 6.405 -3.723 11.792 457 HA PHE 63 HA PHE 63 7.523 -4.094 9.380 458 1HB PHE 63 HB2 PHE 63 8.298 -4.945 12.089 459 2HB PHE 63 HB3 PHE 63 9.100 -5.809 10.783 460 HD1 PHE 63 HD1 PHE 63 8.066 -2.266 11.270 461 HD2 PHE 63 HD2 PHE 63 11.227 -4.998 10.476 462 HE1 PHE 63 HE1 PHE 63 9.621 -0.381 10.998 463 HE2 PHE 63 HE2 PHE 63 12.789 -3.119 10.202 464 HZ PHE 63 HZ PHE 63 12.029 -0.839 10.468 465 HA PRO 64 HA PRO 64 7.145 -8.845 9.155 466 1HB PRO 64 HB2 PRO 64 5.882 -10.181 11.152 467 2HB PRO 64 HB3 PRO 64 7.618 -9.843 11.161 468 1HG PRO 64 HG2 PRO 64 5.398 -8.390 12.554 469 2HG PRO 64 HG3 PRO 64 6.994 -8.856 13.176 470 1HD PRO 64 HD2 PRO 64 6.449 -6.348 12.327 471 2HD PRO 64 HD3 PRO 64 8.052 -7.085 12.141 472 H PHE 65 HN PHE 65 5.598 -7.575 7.765 473 HA PHE 65 HA PHE 65 2.795 -7.723 8.351 474 1HB PHE 65 HB2 PHE 65 4.484 -6.508 6.355 475 2HB PHE 65 HB3 PHE 65 3.141 -7.347 5.585 476 HD1 PHE 65 HD1 PHE 65 4.154 -4.383 7.351 477 HD2 PHE 65 HD2 PHE 65 0.824 -6.805 6.326 478 HE1 PHE 65 HE1 PHE 65 2.638 -2.505 7.822 479 HE2 PHE 65 HE2 PHE 65 -0.701 -4.946 6.792 480 HZ PHE 65 HZ PHE 65 0.207 -2.785 7.544 481 H LYS 66 HN LYS 66 1.266 -9.079 7.483 482 HA LYS 66 HA LYS 66 2.089 -11.715 6.819 483 1HB LYS 66 HB2 LYS 66 -0.621 -10.402 6.675 484 2HB LYS 66 HB3 LYS 66 -0.340 -12.116 6.429 485 1HG LYS 66 HG2 LYS 66 0.502 -12.317 8.705 486 2HG LYS 66 HG3 LYS 66 0.256 -10.588 8.956 487 1HD LYS 66 HD2 LYS 66 -2.147 -10.879 8.581 488 2HD LYS 66 HD3 LYS 66 -1.898 -12.608 8.329 489 1HE LYS 66 HE2 LYS 66 -1.045 -12.814 10.615 490 2HE LYS 66 HE3 LYS 66 -1.296 -11.087 10.864 491 1HZ LYS 66 HZ1 LYS 66 -3.245 -11.801 11.693 492 2HZ LYS 66 HZ2 LYS 66 -3.229 -13.253 10.826 493 3HZ LYS 66 HZ3 LYS 66 -3.721 -11.823 10.069 494 H SER 67 HN SER 67 3.485 -10.867 5.035 495 HA SER 67 HA SER 67 4.005 -10.764 2.848 496 1HB SER 67 HB2 SER 67 1.346 -12.130 2.455 497 2HB SER 67 HB3 SER 67 2.668 -12.073 1.290 498 HG SER 67 HG SER 67 2.799 -14.004 2.386 499 H ALA 68 HN ALA 68 3.489 -9.812 0.761 500 HA ALA 68 HA ALA 68 2.605 -7.212 0.923 501 1HB ALA 68 HB1 ALA 68 3.255 -9.082 -1.239 502 2HB ALA 68 HB2 ALA 68 2.223 -7.729 -1.702 503 3HB ALA 68 HB3 ALA 68 3.797 -7.427 -0.965 504 H GLU 69 HN GLU 69 0.731 -10.096 0.326 505 HA GLU 69 HA GLU 69 -1.553 -8.945 -0.772 506 1HB GLU 69 HB2 GLU 69 -2.757 -10.915 0.132 507 2HB GLU 69 HB3 GLU 69 -1.288 -11.336 -0.739 508 1HG GLU 69 HG2 GLU 69 -0.133 -11.521 1.428 509 2HG GLU 69 HG3 GLU 69 -1.672 -11.219 2.227 510 H GLU 70 HN GLU 70 -0.780 -9.499 2.707 511 HA GLU 70 HA GLU 70 -3.218 -8.294 3.514 512 1HB GLU 70 HB2 GLU 70 -2.685 -8.832 5.645 513 2HB GLU 70 HB3 GLU 70 -1.589 -9.922 4.814 514 1HG GLU 70 HG2 GLU 70 0.208 -8.915 5.643 515 2HG GLU 70 HG3 GLU 70 -0.426 -7.310 5.300 516 H VAL 71 HN VAL 71 -0.015 -7.099 2.917 517 HA VAL 71 HA VAL 71 -0.323 -4.579 4.167 518 HB VAL 71 HB VAL 71 1.426 -5.339 1.833 519 1HG1 VAL 71 HG11 VAL 71 1.704 -3.106 1.696 520 2HG1 VAL 71 HG12 VAL 71 1.044 -2.823 3.306 521 3HG1 VAL 71 HG13 VAL 71 2.721 -3.332 3.118 522 1HG2 VAL 71 HG21 VAL 71 2.593 -4.955 4.490 523 2HG2 VAL 71 HG22 VAL 71 1.494 -6.329 4.364 524 3HG2 VAL 71 HG23 VAL 71 2.883 -6.211 3.297 525 H ALA 72 HN ALA 72 -0.997 -5.706 0.880 526 HA ALA 72 HA ALA 72 -1.654 -3.221 -0.242 527 1HB ALA 72 HB1 ALA 72 -1.719 -5.940 -1.041 528 2HB ALA 72 HB2 ALA 72 -3.290 -5.233 -1.408 529 3HB ALA 72 HB3 ALA 72 -1.821 -4.498 -2.050 530 H ASP 73 HN ASP 73 -3.749 -5.701 1.228 531 HA ASP 73 HA ASP 73 -6.136 -4.183 0.975 532 1HB ASP 73 HB2 ASP 73 -5.483 -6.477 2.837 533 2HB ASP 73 HB3 ASP 73 -7.099 -5.846 2.531 534 H THR 74 HN THR 74 -3.749 -4.521 3.533 535 HA THR 74 HA THR 74 -5.189 -3.188 5.562 536 HB THR 74 HB THR 74 -2.209 -3.559 5.214 537 HG1 THR 74 HG1 THR 74 -2.678 -5.213 6.861 538 1HG2 THR 74 HG21 THR 74 -3.604 -1.932 7.079 539 2HG2 THR 74 HG22 THR 74 -1.882 -2.310 7.026 540 3HG2 THR 74 HG23 THR 74 -2.984 -3.338 7.943 541 H ILE 75 HN ILE 75 -2.589 -2.005 3.413 542 HA ILE 75 HA ILE 75 -2.524 0.614 4.363 543 HB ILE 75 HB ILE 75 -1.902 -0.422 1.595 544 1HG1 ILE 75 HG12 ILE 75 -0.111 0.246 3.941 545 2HG1 ILE 75 HG13 ILE 75 -0.540 -1.378 3.419 546 1HG2 ILE 75 HG21 ILE 75 -2.337 1.972 1.506 547 2HG2 ILE 75 HG22 ILE 75 -1.207 2.238 2.835 548 3HG2 ILE 75 HG23 ILE 75 -0.618 1.643 1.283 549 1HD1 ILE 75 HD11 ILE 75 0.903 0.596 1.675 550 2HD1 ILE 75 HD12 ILE 75 1.715 -0.582 2.705 551 3HD1 ILE 75 HD13 ILE 75 0.671 -1.130 1.394 552 H VAL 76 HN VAL 76 -4.319 -0.670 1.551 553 HA VAL 76 HA VAL 76 -5.538 1.709 0.790 554 HB VAL 76 HB VAL 76 -7.369 0.220 -0.158 555 1HG1 VAL 76 HG11 VAL 76 -4.506 0.270 -0.820 556 2HG1 VAL 76 HG12 VAL 76 -5.437 -1.019 -1.585 557 3HG1 VAL 76 HG13 VAL 76 -5.910 0.665 -1.810 558 1HG2 VAL 76 HG21 VAL 76 -6.124 -2.238 -0.169 559 2HG2 VAL 76 HG22 VAL 76 -5.947 -1.701 1.500 560 3HG2 VAL 76 HG23 VAL 76 -7.550 -1.802 0.775 561 H ASN 77 HN ASN 77 -6.565 -0.642 3.228 562 HA ASN 77 HA ASN 77 -9.118 0.421 3.716 563 1HB ASN 77 HB2 ASN 77 -7.236 -1.066 5.555 564 2HB ASN 77 HB3 ASN 77 -8.909 -0.696 5.952 565 1HD2 ASN 77 HD21 ASN 77 -8.921 -1.222 2.708 566 2HD2 ASN 77 HD22 ASN 77 -9.272 -2.910 2.694 567 H LYS 78 HN LYS 78 -6.063 1.006 5.466 568 HA LYS 78 HA LYS 78 -7.153 2.992 7.167 569 1HB LYS 78 HB2 LYS 78 -4.302 2.370 6.404 570 2HB LYS 78 HB3 LYS 78 -4.765 3.485 7.685 571 1HG LYS 78 HG2 LYS 78 -5.854 1.671 8.893 572 2HG LYS 78 HG3 LYS 78 -5.431 0.548 7.600 573 1HD LYS 78 HD2 LYS 78 -3.082 0.841 8.047 574 2HD LYS 78 HD3 LYS 78 -3.425 2.105 9.227 575 1HE LYS 78 HE2 LYS 78 -2.918 0.006 10.343 576 2HE LYS 78 HE3 LYS 78 -4.593 0.474 10.631 577 1HZ LYS 78 HZ1 LYS 78 -5.060 -1.596 9.992 578 2HZ LYS 78 HZ2 LYS 78 -3.541 -1.842 9.290 579 3HZ LYS 78 HZ3 LYS 78 -4.762 -1.067 8.414 580 H ALA 79 HN ALA 79 -5.354 3.129 4.132 581 HA ALA 79 HA ALA 79 -5.011 5.936 4.093 582 1HB ALA 79 HB1 ALA 79 -3.957 5.617 2.123 583 2HB ALA 79 HB2 ALA 79 -4.006 3.927 2.623 584 3HB ALA 79 HB3 ALA 79 -5.213 4.548 1.498 585 H GLY 80 HN GLY 80 -7.662 3.866 3.109 586 1HA GLY 80 HA1 GLY 80 -9.702 5.600 3.235 587 2HA GLY 80 HA2 GLY 80 -8.987 6.026 1.686 588 H LEU 81 HN LEU 81 -8.372 3.800 0.486 589 HA LEU 81 HA LEU 81 -10.886 2.728 -0.287 590 1HB LEU 81 HB2 LEU 81 -8.139 1.716 -1.013 591 2HB LEU 81 HB3 LEU 81 -9.632 1.476 -1.908 592 HG LEU 81 HG LEU 81 -8.444 4.209 -1.448 593 1HD1 LEU 81 HD11 LEU 81 -7.839 2.166 -3.553 594 2HD1 LEU 81 HD12 LEU 81 -7.768 3.887 -3.930 595 3HD1 LEU 81 HD13 LEU 81 -6.738 3.218 -2.664 596 1HD2 LEU 81 HD21 LEU 81 -10.081 4.995 -2.782 597 2HD2 LEU 81 HD22 LEU 81 -10.073 3.567 -3.817 598 3HD2 LEU 81 HD23 LEU 81 -10.923 3.531 -2.272 Start of MODEL 2 1 1H GLY -3 HT1 GLY -3 -22.634 0.976 -0.509 2 2H GLY -3 HT2 GLY -3 -22.111 2.290 0.418 3 3H GLY -3 HT3 GLY -3 -21.859 0.712 0.971 4 1HA GLY -3 HA2 GLY -3 -20.643 0.630 -1.425 5 2HA GLY -3 HA1 GLY -3 -20.330 2.281 -0.911 6 H SER -2 HN SER -2 -18.757 -0.390 -1.125 7 HA SER -2 HA SER -2 -16.865 0.174 0.856 8 1HB SER -2 HB2 SER -2 -17.172 -1.760 2.363 9 2HB SER -2 HB3 SER -2 -18.545 -0.657 2.433 10 HG SER -2 HG SER -2 -19.259 -2.799 2.275 11 H HIS -1 HN HIS -1 -18.362 -2.491 -0.945 12 HA HIS -1 HA HIS -1 -16.059 -4.061 -1.251 13 1HB HIS -1 HB2 HIS -1 -18.445 -3.826 -3.097 14 2HB HIS -1 HB3 HIS -1 -17.261 -5.129 -3.120 15 HD1 HIS -1 HD1 HIS -1 -19.839 -6.284 -2.757 16 HD2 HIS -1 HD2 HIS -1 -17.891 -4.570 0.489 17 HE1 HIS -1 HE1 HIS -1 -20.914 -7.291 -0.719 18 HE2 HIS -1 HE2 HIS -1 -19.662 -6.302 1.230 19 H MET 1 HN MET 1 -17.367 -1.424 -3.191 20 HA MET 1 HA MET 1 -14.775 -0.908 -4.334 21 1HB MET 1 HB2 MET 1 -17.060 -1.759 -6.124 22 2HB MET 1 HB3 MET 1 -15.548 -1.060 -6.686 23 1HG MET 1 HG2 MET 1 -14.334 -2.972 -5.732 24 2HG MET 1 HG3 MET 1 -15.871 -3.679 -5.238 25 1HE MET 1 HE1 MET 1 -15.438 -6.102 -6.912 26 2HE MET 1 HE2 MET 1 -14.328 -5.760 -8.239 27 3HE MET 1 HE3 MET 1 -13.925 -5.250 -6.599 28 H LYS 2 HN LYS 2 -15.662 0.872 -2.829 29 HA LYS 2 HA LYS 2 -17.708 2.580 -3.363 30 1HB LYS 2 HB2 LYS 2 -16.478 4.320 -2.242 31 2HB LYS 2 HB3 LYS 2 -16.140 2.790 -1.451 32 1HG LYS 2 HG2 LYS 2 -14.325 4.098 -3.463 33 2HG LYS 2 HG3 LYS 2 -14.163 4.260 -1.718 34 1HD LYS 2 HD2 LYS 2 -13.989 1.686 -3.286 35 2HD LYS 2 HD3 LYS 2 -12.634 2.576 -2.599 36 1HE LYS 2 HE2 LYS 2 -14.885 1.276 -1.071 37 2HE LYS 2 HE3 LYS 2 -13.217 0.716 -1.166 38 1HZ LYS 2 HZ1 LYS 2 -14.367 2.764 0.488 39 2HZ LYS 2 HZ2 LYS 2 -12.958 3.267 -0.302 40 3HZ LYS 2 HZ3 LYS 2 -12.928 1.895 0.685 41 H MET 3 HN MET 3 -14.546 2.541 -4.953 42 HA MET 3 HA MET 3 -15.637 4.397 -6.960 43 1HB MET 3 HB2 MET 3 -12.793 4.074 -6.000 44 2HB MET 3 HB3 MET 3 -13.231 4.988 -7.435 45 1HG MET 3 HG2 MET 3 -14.150 5.572 -4.629 46 2HG MET 3 HG3 MET 3 -12.894 6.438 -5.509 47 1HE MET 3 HE1 MET 3 -13.264 7.162 -7.847 48 2HE MET 3 HE2 MET 3 -14.787 6.809 -8.662 49 3HE MET 3 HE3 MET 3 -14.453 8.442 -8.085 50 H GLY 4 HN GLY 4 -13.353 1.707 -6.490 51 1HA GLY 4 HA1 GLY 4 -13.966 -0.214 -8.056 52 2HA GLY 4 HA2 GLY 4 -13.761 0.988 -9.321 53 H VAL 5 HN VAL 5 -11.500 2.313 -8.379 54 HA VAL 5 HA VAL 5 -9.474 0.556 -9.282 55 HB VAL 5 HB VAL 5 -9.549 3.122 -9.442 56 1HG1 VAL 5 HG11 VAL 5 -7.914 2.927 -6.932 57 2HG1 VAL 5 HG12 VAL 5 -8.485 4.388 -7.752 58 3HG1 VAL 5 HG13 VAL 5 -9.633 3.346 -6.907 59 1HG2 VAL 5 HG21 VAL 5 -7.066 3.268 -9.514 60 2HG2 VAL 5 HG22 VAL 5 -7.024 1.619 -8.897 61 3HG2 VAL 5 HG23 VAL 5 -7.771 1.959 -10.458 62 H LYS 6 HN LYS 6 -10.887 0.724 -6.234 63 HA LYS 6 HA LYS 6 -8.847 0.699 -4.421 64 1HB LYS 6 HB2 LYS 6 -11.151 0.398 -3.721 65 2HB LYS 6 HB3 LYS 6 -11.231 -1.163 -4.526 66 1HG LYS 6 HG2 LYS 6 -9.565 -2.045 -2.960 67 2HG LYS 6 HG3 LYS 6 -9.519 -0.481 -2.145 68 1HD LYS 6 HD2 LYS 6 -11.894 -0.694 -1.600 69 2HD LYS 6 HD3 LYS 6 -11.942 -2.257 -2.419 70 1HE LYS 6 HE2 LYS 6 -10.306 -3.138 -0.827 71 2HE LYS 6 HE3 LYS 6 -10.258 -1.577 -0.010 72 1HZ LYS 6 HZ1 LYS 6 -12.803 -1.969 0.188 73 2HZ LYS 6 HZ2 LYS 6 -11.748 -2.729 1.270 74 3HZ LYS 6 HZ3 LYS 6 -12.392 -3.595 -0.033 75 H GLU 7 HN GLU 7 -9.930 -2.009 -6.427 76 HA GLU 7 HA GLU 7 -7.743 -3.686 -5.598 77 1HB GLU 7 HB2 GLU 7 -9.903 -4.674 -6.218 78 2HB GLU 7 HB3 GLU 7 -9.749 -4.023 -7.842 79 1HG GLU 7 HG2 GLU 7 -7.722 -5.915 -6.706 80 2HG GLU 7 HG3 GLU 7 -9.201 -6.487 -7.474 81 H ASP 8 HN ASP 8 -8.421 -1.473 -8.236 82 HA ASP 8 HA ASP 8 -6.420 -2.328 -10.003 83 1HB ASP 8 HB2 ASP 8 -7.931 0.190 -9.708 84 2HB ASP 8 HB3 ASP 8 -6.639 0.075 -10.892 85 H ILE 9 HN ILE 9 -6.339 0.364 -7.682 86 HA ILE 9 HA ILE 9 -3.621 1.013 -8.137 87 HB ILE 9 HB ILE 9 -5.582 1.688 -5.952 88 1HG1 ILE 9 HG12 ILE 9 -4.061 3.364 -7.958 89 2HG1 ILE 9 HG13 ILE 9 -5.746 2.880 -8.085 90 1HG2 ILE 9 HG21 ILE 9 -3.504 1.462 -4.767 91 2HG2 ILE 9 HG22 ILE 9 -2.649 2.395 -5.995 92 3HG2 ILE 9 HG23 ILE 9 -3.852 3.178 -4.969 93 1HD1 ILE 9 HD11 ILE 9 -4.509 4.783 -6.129 94 2HD1 ILE 9 HD12 ILE 9 -5.754 5.105 -7.336 95 3HD1 ILE 9 HD13 ILE 9 -6.131 4.120 -5.922 96 H ARG 10 HN ARG 10 -5.333 -0.899 -5.689 97 HA ARG 10 HA ARG 10 -3.122 -1.683 -4.150 98 1HB ARG 10 HB2 ARG 10 -5.675 -2.110 -3.768 99 2HB ARG 10 HB3 ARG 10 -5.432 -3.525 -4.774 100 1HG ARG 10 HG2 ARG 10 -3.707 -4.315 -3.192 101 2HG ARG 10 HG3 ARG 10 -4.077 -2.936 -2.154 102 1HD ARG 10 HD2 ARG 10 -5.234 -4.962 -1.411 103 2HD ARG 10 HD3 ARG 10 -6.366 -3.704 -1.905 104 HE ARG 10 HE ARG 10 -7.163 -5.149 -3.468 105 1HH1 ARG 10 HH12 ARG 10 -3.910 -6.133 -2.665 106 2HH1 ARG 10 HH11 ARG 10 -3.934 -7.506 -3.719 107 1HH2 ARG 10 HH22 ARG 10 -7.195 -6.959 -4.847 108 2HH2 ARG 10 HH21 ARG 10 -5.798 -7.977 -4.955 109 H GLY 11 HN GLY 11 -4.281 -2.642 -7.276 110 1HA GLY 11 HA1 GLY 11 -2.845 -5.094 -7.508 111 2HA GLY 11 HA2 GLY 11 -3.443 -4.113 -8.847 112 H GLN 12 HN GLN 12 -2.167 -1.749 -8.322 113 HA GLN 12 HA GLN 12 0.399 -2.190 -9.444 114 1HB GLN 12 HB2 GLN 12 -0.714 0.302 -8.137 115 2HB GLN 12 HB3 GLN 12 0.684 0.228 -9.194 116 1HG GLN 12 HG2 GLN 12 -0.761 -0.513 -11.033 117 2HG GLN 12 HG3 GLN 12 -2.156 -0.379 -9.963 118 1HE2 GLN 12 HE21 GLN 12 -3.279 1.391 -10.268 119 2HE2 GLN 12 HE22 GLN 12 -2.659 2.929 -10.751 120 H ILE 13 HN ILE 13 -0.834 -1.692 -6.217 121 HA ILE 13 HA ILE 13 1.655 -1.166 -4.949 122 HB ILE 13 HB ILE 13 -0.929 -2.191 -3.772 123 1HG1 ILE 13 HG12 ILE 13 0.221 0.605 -3.922 124 2HG1 ILE 13 HG13 ILE 13 -1.150 0.006 -4.847 125 1HG2 ILE 13 HG21 ILE 13 0.233 -2.530 -1.908 126 2HG2 ILE 13 HG22 ILE 13 1.685 -1.814 -2.609 127 3HG2 ILE 13 HG23 ILE 13 0.482 -0.786 -1.829 128 1HD1 ILE 13 HD11 ILE 13 -1.804 -0.510 -2.197 129 2HD1 ILE 13 HD12 ILE 13 -1.061 1.090 -2.187 130 3HD1 ILE 13 HD13 ILE 13 -2.448 0.768 -3.228 131 H ILE 14 HN ILE 14 -0.300 -4.089 -5.408 132 HA ILE 14 HA ILE 14 1.241 -5.847 -3.878 133 HB ILE 14 HB ILE 14 -0.543 -6.247 -6.261 134 1HG1 ILE 14 HG12 ILE 14 -1.595 -5.733 -4.110 135 2HG1 ILE 14 HG13 ILE 14 -1.965 -7.384 -4.601 136 1HG2 ILE 14 HG21 ILE 14 -0.366 -8.708 -5.837 137 2HG2 ILE 14 HG22 ILE 14 1.086 -7.982 -6.527 138 3HG2 ILE 14 HG23 ILE 14 1.027 -8.374 -4.808 139 1HD1 ILE 14 HD11 ILE 14 -1.502 -7.528 -2.331 140 2HD1 ILE 14 HD12 ILE 14 -0.020 -8.075 -3.112 141 3HD1 ILE 14 HD13 ILE 14 -0.116 -6.445 -2.447 142 H GLY 15 HN GLY 15 1.398 -5.213 -7.392 143 1HA GLY 15 HA1 GLY 15 3.713 -6.792 -7.830 144 2HA GLY 15 HA2 GLY 15 3.117 -5.522 -8.896 145 H ALA 16 HN ALA 16 3.180 -3.443 -6.984 146 HA ALA 16 HA ALA 16 5.780 -2.453 -7.309 147 1HB ALA 16 HB1 ALA 16 4.294 -0.747 -7.020 148 2HB ALA 16 HB2 ALA 16 3.345 -1.626 -5.816 149 3HB ALA 16 HB3 ALA 16 4.877 -0.878 -5.361 150 H LEU 17 HN LEU 17 4.310 -4.361 -4.811 151 HA LEU 17 HA LEU 17 6.461 -3.944 -2.917 152 1HB LEU 17 HB2 LEU 17 3.948 -5.602 -2.896 153 2HB LEU 17 HB3 LEU 17 5.133 -5.667 -1.609 154 HG LEU 17 HG LEU 17 3.819 -3.086 -2.430 155 1HD1 LEU 17 HD11 LEU 17 2.341 -5.150 -1.537 156 2HD1 LEU 17 HD12 LEU 17 2.860 -4.455 -0.001 157 3HD1 LEU 17 HD13 LEU 17 1.989 -3.464 -1.170 158 1HD2 LEU 17 HD21 LEU 17 5.012 -2.170 -0.788 159 2HD2 LEU 17 HD22 LEU 17 4.572 -3.444 0.350 160 3HD2 LEU 17 HD23 LEU 17 5.942 -3.667 -0.742 161 H ALA 18 HN ALA 18 5.430 -6.288 -5.264 162 HA ALA 18 HA ALA 18 6.844 -8.538 -4.394 163 1HB ALA 18 HB1 ALA 18 5.442 -9.133 -6.065 164 2HB ALA 18 HB2 ALA 18 5.693 -7.634 -6.960 165 3HB ALA 18 HB3 ALA 18 6.897 -8.920 -7.038 166 H GLY 19 HN GLY 19 8.893 -7.794 -3.614 167 1HA GLY 19 HA1 GLY 19 11.046 -8.219 -5.279 168 2HA GLY 19 HA2 GLY 19 10.757 -6.489 -5.348 169 H ALA 20 HN ALA 20 9.895 -6.227 -2.617 170 HA ALA 20 HA ALA 20 12.256 -5.578 -1.346 171 1HB ALA 20 HB1 ALA 20 10.140 -6.386 0.497 172 2HB ALA 20 HB2 ALA 20 10.925 -4.822 0.279 173 3HB ALA 20 HB3 ALA 20 9.602 -5.301 -0.784 174 H ASP 21 HN ASP 21 12.488 -6.513 1.079 175 HA ASP 21 HA ASP 21 13.874 -8.952 0.854 176 1HB ASP 21 HB2 ASP 21 12.867 -7.296 3.168 177 2HB ASP 21 HB3 ASP 21 13.720 -8.822 3.444 178 H PHE 22 HN PHE 22 11.972 -9.451 3.611 179 HA PHE 22 HA PHE 22 10.696 -11.717 2.509 180 1HB PHE 22 HB2 PHE 22 9.612 -11.999 4.585 181 2HB PHE 22 HB3 PHE 22 11.076 -11.149 5.030 182 HD1 PHE 22 HD1 PHE 22 10.778 -9.649 6.710 183 HD2 PHE 22 HD2 PHE 22 7.636 -10.126 3.883 184 HE1 PHE 22 HE1 PHE 22 9.451 -7.934 7.866 185 HE2 PHE 22 HE2 PHE 22 6.320 -8.376 5.005 186 HZ PHE 22 HZ PHE 22 7.236 -7.315 7.019 187 HA PRO 23 HA PRO 23 7.188 -9.995 0.498 188 1HB PRO 23 HB2 PRO 23 4.947 -10.964 1.687 189 2HB PRO 23 HB3 PRO 23 5.969 -11.932 0.626 190 1HG PRO 23 HG2 PRO 23 5.958 -11.799 3.628 191 2HG PRO 23 HG3 PRO 23 5.976 -13.231 2.573 192 1HD PRO 23 HD2 PRO 23 8.224 -12.328 3.691 193 2HD PRO 23 HD3 PRO 23 8.231 -12.948 2.028 194 H ILE 24 HN ILE 24 8.120 -7.994 1.805 195 HA ILE 24 HA ILE 24 7.148 -5.866 2.156 196 HB ILE 24 HB ILE 24 5.120 -7.314 3.831 197 1HG1 ILE 24 HG12 ILE 24 4.617 -7.675 1.541 198 2HG1 ILE 24 HG13 ILE 24 3.592 -6.333 2.033 199 1HG2 ILE 24 HG21 ILE 24 4.610 -5.396 4.807 200 2HG2 ILE 24 HG22 ILE 24 5.977 -4.637 4.004 201 3HG2 ILE 24 HG23 ILE 24 4.394 -4.627 3.236 202 1HD1 ILE 24 HD11 ILE 24 5.590 -4.898 1.159 203 2HD1 ILE 24 HD12 ILE 24 5.954 -6.356 0.241 204 3HD1 ILE 24 HD13 ILE 24 4.393 -5.564 0.054 205 H ASN 25 HN ASN 25 9.424 -6.359 3.177 206 HA ASN 25 HA ASN 25 9.678 -6.547 5.992 207 1HB ASN 25 HB2 ASN 25 11.412 -5.730 3.734 208 2HB ASN 25 HB3 ASN 25 11.881 -5.168 5.340 209 1HD2 ASN 25 HD21 ASN 25 13.286 -6.395 6.290 210 2HD2 ASN 25 HD22 ASN 25 13.402 -8.116 6.165 211 H SER 26 HN SER 26 7.744 -4.948 6.324 212 HA SER 26 HA SER 26 7.008 -2.921 7.061 213 1HB SER 26 HB2 SER 26 8.544 -1.574 8.360 214 2HB SER 26 HB3 SER 26 8.903 -3.270 8.674 215 HG SER 26 HG SER 26 10.305 -1.543 6.915 216 HA PRO 27 HA PRO 27 7.005 -0.139 3.731 217 1HB PRO 27 HB2 PRO 27 7.452 2.076 5.672 218 2HB PRO 27 HB3 PRO 27 6.226 1.922 4.409 219 1HG PRO 27 HG2 PRO 27 5.629 1.502 6.987 220 2HG PRO 27 HG3 PRO 27 4.881 0.549 5.692 221 1HD PRO 27 HD2 PRO 27 6.986 -0.228 7.640 222 2HD PRO 27 HD3 PRO 27 5.754 -1.228 6.840 223 H GLU 28 HN GLU 28 9.582 0.313 6.079 224 HA GLU 28 HA GLU 28 11.261 1.942 4.589 225 1HB GLU 28 HB2 GLU 28 12.136 -0.395 6.304 226 2HB GLU 28 HB3 GLU 28 13.086 1.030 5.901 227 1HG GLU 28 HG2 GLU 28 10.569 1.016 7.559 228 2HG GLU 28 HG3 GLU 28 12.216 1.117 8.183 229 H GLU 29 HN GLU 29 11.302 -1.619 4.713 230 HA GLU 29 HA GLU 29 13.083 -1.873 2.496 231 1HB GLU 29 HB2 GLU 29 12.807 -3.463 4.411 232 2HB GLU 29 HB3 GLU 29 11.260 -3.914 3.670 233 1HG GLU 29 HG2 GLU 29 13.063 -5.480 3.078 234 2HG GLU 29 HG3 GLU 29 12.415 -4.648 1.666 235 H LEU 30 HN LEU 30 9.675 -2.901 2.937 236 HA LEU 30 HA LEU 30 9.206 -3.756 0.376 237 1HB LEU 30 HB2 LEU 30 6.888 -3.541 0.804 238 2HB LEU 30 HB3 LEU 30 7.638 -3.922 2.342 239 HG LEU 30 HG LEU 30 7.632 -1.293 2.592 240 1HD1 LEU 30 HD11 LEU 30 5.040 -1.476 1.196 241 2HD1 LEU 30 HD12 LEU 30 6.138 -0.107 1.380 242 3HD1 LEU 30 HD13 LEU 30 6.481 -1.357 0.185 243 1HD2 LEU 30 HD21 LEU 30 5.545 -1.464 3.818 244 2HD2 LEU 30 HD22 LEU 30 5.160 -2.962 2.979 245 3HD2 LEU 30 HD23 LEU 30 6.531 -2.900 4.084 246 H MET 31 HN MET 31 9.020 -0.434 1.621 247 HA MET 31 HA MET 31 8.222 0.692 -0.878 248 1HB MET 31 HB2 MET 31 9.468 1.926 1.575 249 2HB MET 31 HB3 MET 31 9.142 2.847 0.130 250 1HG MET 31 HG2 MET 31 6.760 2.197 0.312 251 2HG MET 31 HG3 MET 31 7.135 1.467 1.874 252 1HE MET 31 HE1 MET 31 9.387 3.603 2.869 253 2HE MET 31 HE2 MET 31 8.383 4.663 3.860 254 3HE MET 31 HE3 MET 31 8.158 2.917 3.931 255 H ALA 32 HN ALA 32 11.256 -0.241 0.622 256 HA ALA 32 HA ALA 32 12.934 1.248 -1.138 257 1HB ALA 32 HB1 ALA 32 14.258 -1.117 -0.294 258 2HB ALA 32 HB2 ALA 32 14.463 0.535 0.290 259 3HB ALA 32 HB3 ALA 32 13.271 -0.525 1.043 260 H ALA 33 HN ALA 33 11.320 -1.838 -1.369 261 HA ALA 33 HA ALA 33 12.814 -2.803 -3.600 262 1HB ALA 33 HB1 ALA 33 11.663 -4.690 -3.298 263 2HB ALA 33 HB2 ALA 33 11.118 -3.924 -1.805 264 3HB ALA 33 HB3 ALA 33 10.109 -3.857 -3.249 265 H LEU 34 HN LEU 34 9.762 -1.072 -3.221 266 HA LEU 34 HA LEU 34 8.486 -1.275 -5.540 267 1HB LEU 34 HB2 LEU 34 9.014 1.070 -3.808 268 2HB LEU 34 HB3 LEU 34 8.286 1.379 -5.374 269 HG LEU 34 HG LEU 34 6.393 -0.010 -4.846 270 1HD1 LEU 34 HD11 LEU 34 7.885 -1.584 -3.404 271 2HD1 LEU 34 HD12 LEU 34 7.384 -0.528 -2.086 272 3HD1 LEU 34 HD13 LEU 34 6.175 -1.396 -3.027 273 1HD2 LEU 34 HD21 LEU 34 5.405 1.236 -3.042 274 2HD2 LEU 34 HD22 LEU 34 6.995 1.736 -2.468 275 3HD2 LEU 34 HD23 LEU 34 6.394 2.317 -4.020 276 HA PRO 35 HA PRO 35 10.945 -0.622 -9.118 277 1HB PRO 35 HB2 PRO 35 8.607 1.004 -10.019 278 2HB PRO 35 HB3 PRO 35 9.468 -0.290 -10.860 279 1HG PRO 35 HG2 PRO 35 7.096 -0.735 -9.717 280 2HG PRO 35 HG3 PRO 35 8.377 -1.962 -9.687 281 1HD PRO 35 HD2 PRO 35 7.379 -0.210 -7.511 282 2HD PRO 35 HD3 PRO 35 8.085 -1.834 -7.422 283 H ASN 36 HN ASN 36 9.274 2.157 -7.722 284 HA ASN 36 HA ASN 36 10.855 4.115 -9.054 285 1HB ASN 36 HB2 ASN 36 8.710 4.797 -8.343 286 2HB ASN 36 HB3 ASN 36 8.962 4.175 -6.718 287 1HD2 ASN 36 HD21 ASN 36 9.050 5.718 -5.331 288 2HD2 ASN 36 HD22 ASN 36 9.819 7.243 -5.517 289 H GLY 37 HN GLY 37 11.255 2.248 -6.155 290 1HA GLY 37 HA1 GLY 37 13.525 2.001 -5.314 291 2HA GLY 37 HA2 GLY 37 13.769 3.710 -5.641 292 HA PRO 38 HA PRO 38 12.561 4.612 -1.491 293 1HB PRO 38 HB2 PRO 38 11.225 6.939 -1.656 294 2HB PRO 38 HB3 PRO 38 12.954 6.834 -2.012 295 1HG PRO 38 HG2 PRO 38 10.632 6.892 -3.898 296 2HG PRO 38 HG3 PRO 38 12.171 7.769 -3.997 297 1HD PRO 38 HD2 PRO 38 11.666 5.482 -5.391 298 2HD PRO 38 HD3 PRO 38 13.293 5.950 -4.862 299 H ASP 39 HN ASP 39 9.882 5.059 -3.769 300 HA ASP 39 HA ASP 39 8.160 3.222 -2.838 301 1HB ASP 39 HB2 ASP 39 6.548 4.816 -1.587 302 2HB ASP 39 HB3 ASP 39 7.862 4.063 -0.698 303 H THR 40 HN THR 40 7.802 3.231 -5.073 304 HA THR 40 HA THR 40 7.011 5.371 -6.643 305 HB THR 40 HB THR 40 7.588 3.169 -7.590 306 HG1 THR 40 HG1 THR 40 4.952 4.023 -8.263 307 1HG2 THR 40 HG21 THR 40 5.989 1.340 -7.575 308 2HG2 THR 40 HG22 THR 40 4.880 2.292 -6.589 309 3HG2 THR 40 HG23 THR 40 6.428 1.774 -5.923 310 H THR 41 HN THR 41 5.137 6.455 -6.977 311 HA THR 41 HA THR 41 2.955 5.954 -5.132 312 HB THR 41 HB THR 41 3.135 8.111 -7.241 313 HG1 THR 41 HG1 THR 41 4.637 8.909 -5.982 314 1HG2 THR 41 HG21 THR 41 1.628 9.239 -5.448 315 2HG2 THR 41 HG22 THR 41 1.348 7.588 -4.892 316 3HG2 THR 41 HG23 THR 41 0.918 8.050 -6.540 317 H CYS 42 HN CYS 42 1.319 4.647 -5.639 318 HA CYS 42 HA CYS 42 0.768 4.042 -8.445 319 1HB CYS 42 HB2 CYS 42 -0.386 2.815 -5.927 320 2HB CYS 42 HB3 CYS 42 -0.669 2.246 -7.572 321 HG CYS 42 HG CYS 42 1.214 0.697 -5.906 322 H LYS 43 HN LYS 43 0.163 6.614 -7.793 323 HA LYS 43 HA LYS 43 -2.551 6.944 -6.970 324 1HB LYS 43 HB2 LYS 43 -2.212 9.296 -7.640 325 2HB LYS 43 HB3 LYS 43 -0.949 8.708 -6.567 326 1HG LYS 43 HG2 LYS 43 0.538 8.404 -8.484 327 2HG LYS 43 HG3 LYS 43 -0.733 8.989 -9.560 328 1HD LYS 43 HD2 LYS 43 -0.717 11.146 -8.413 329 2HD LYS 43 HD3 LYS 43 0.536 10.561 -7.318 330 1HE LYS 43 HE2 LYS 43 1.491 11.934 -9.093 331 2HE LYS 43 HE3 LYS 43 2.056 10.267 -9.205 332 1HZ LYS 43 HZ1 LYS 43 0.432 9.873 -10.950 333 2HZ LYS 43 HZ2 LYS 43 1.460 11.146 -11.372 334 3HZ LYS 43 HZ3 LYS 43 -0.111 11.471 -10.840 335 H SER 44 HN SER 44 -4.330 6.812 -8.122 336 HA SER 44 HA SER 44 -4.124 6.698 -11.052 337 1HB SER 44 HB2 SER 44 -6.364 5.785 -9.221 338 2HB SER 44 HB3 SER 44 -6.355 5.631 -10.977 339 HG SER 44 HG SER 44 -4.616 4.223 -10.813 340 H GLY 45 HN GLY 45 -4.661 8.512 -12.101 341 1HA GLY 45 HA1 GLY 45 -5.687 10.509 -12.605 342 2HA GLY 45 HA2 GLY 45 -7.033 9.958 -11.614 343 H ASP 46 HN ASP 46 -7.519 11.516 -10.207 344 HA ASP 46 HA ASP 46 -5.564 13.367 -9.226 345 1HB ASP 46 HB2 ASP 46 -8.444 12.935 -8.408 346 2HB ASP 46 HB3 ASP 46 -7.441 14.295 -7.912 347 H VAL 47 HN VAL 47 -7.265 10.575 -7.904 348 HA VAL 47 HA VAL 47 -6.434 10.889 -5.222 349 HB VAL 47 HB VAL 47 -7.157 8.313 -6.623 350 1HG1 VAL 47 HG11 VAL 47 -7.242 7.308 -4.614 351 2HG1 VAL 47 HG12 VAL 47 -6.149 8.602 -4.127 352 3HG1 VAL 47 HG13 VAL 47 -7.877 8.742 -3.807 353 1HG2 VAL 47 HG21 VAL 47 -9.066 9.477 -7.029 354 2HG2 VAL 47 HG22 VAL 47 -9.415 8.973 -5.375 355 3HG2 VAL 47 HG23 VAL 47 -8.800 10.595 -5.693 356 H GLU 48 HN GLU 48 -4.714 10.057 -4.083 357 HA GLU 48 HA GLU 48 -2.677 8.580 -5.596 358 1HB GLU 48 HB2 GLU 48 -2.052 10.811 -3.657 359 2HB GLU 48 HB3 GLU 48 -0.906 9.911 -4.640 360 1HG GLU 48 HG2 GLU 48 -1.844 10.880 -6.658 361 2HG GLU 48 HG3 GLU 48 -3.043 11.746 -5.702 362 H LEU 49 HN LEU 49 -1.884 6.851 -4.578 363 HA LEU 49 HA LEU 49 -2.035 6.678 -1.663 364 1HB LEU 49 HB2 LEU 49 -3.205 4.659 -3.574 365 2HB LEU 49 HB3 LEU 49 -2.837 4.289 -1.901 366 HG LEU 49 HG LEU 49 -5.174 4.735 -2.064 367 1HD1 LEU 49 HD11 LEU 49 -4.072 5.582 -0.069 368 2HD1 LEU 49 HD12 LEU 49 -3.773 7.123 -0.872 369 3HD1 LEU 49 HD13 LEU 49 -5.426 6.614 -0.528 370 1HD2 LEU 49 HD21 LEU 49 -4.491 6.452 -4.120 371 2HD2 LEU 49 HD22 LEU 49 -6.103 6.209 -3.445 372 3HD2 LEU 49 HD23 LEU 49 -5.088 7.524 -2.853 373 H LYS 50 HN LYS 50 -0.368 5.585 -0.748 374 HA LYS 50 HA LYS 50 1.225 3.656 -2.028 375 1HB LYS 50 HB2 LYS 50 3.272 4.928 -2.415 376 2HB LYS 50 HB3 LYS 50 1.956 5.558 -3.398 377 1HG LYS 50 HG2 LYS 50 1.620 7.335 -1.684 378 2HG LYS 50 HG3 LYS 50 3.072 6.745 -0.874 379 1HD LYS 50 HD2 LYS 50 4.402 7.218 -2.842 380 2HD LYS 50 HD3 LYS 50 2.958 7.715 -3.721 381 1HE LYS 50 HE2 LYS 50 2.629 9.556 -2.151 382 2HE LYS 50 HE3 LYS 50 4.061 9.054 -1.255 383 1HZ LYS 50 HZ1 LYS 50 5.416 9.995 -2.747 384 2HZ LYS 50 HZ2 LYS 50 4.055 10.877 -3.224 385 3HZ LYS 50 HZ3 LYS 50 4.501 9.487 -4.077 386 H ALA 51 HN ALA 51 2.944 2.896 -0.710 387 HA ALA 51 HA ALA 51 2.440 2.749 1.972 388 1HB ALA 51 HB1 ALA 51 3.915 1.144 1.350 389 2HB ALA 51 HB2 ALA 51 4.828 2.230 0.304 390 3HB ALA 51 HB3 ALA 51 5.056 2.290 2.052 391 H SER 52 HN SER 52 4.137 5.290 0.288 392 HA SER 52 HA SER 52 5.391 6.407 2.588 393 1HB SER 52 HB2 SER 52 6.236 6.897 0.362 394 2HB SER 52 HB3 SER 52 4.710 7.658 -0.081 395 HG SER 52 HG SER 52 6.278 8.559 2.094 396 H ASP 53 HN ASP 53 2.535 7.456 0.714 397 HA ASP 53 HA ASP 53 1.791 9.440 2.615 398 1HB ASP 53 HB2 ASP 53 0.229 8.189 0.350 399 2HB ASP 53 HB3 ASP 53 -0.292 9.598 1.268 400 H ALA 54 HN ALA 54 0.300 6.317 1.745 401 HA ALA 54 HA ALA 54 -1.497 6.450 3.995 402 1HB ALA 54 HB1 ALA 54 -2.479 5.474 2.137 403 2HB ALA 54 HB2 ALA 54 -1.058 4.492 1.777 404 3HB ALA 54 HB3 ALA 54 -2.083 4.089 3.154 405 H GLY 55 HN GLY 55 1.333 4.489 3.102 406 1HA GLY 55 HA1 GLY 55 1.353 2.577 5.045 407 2HA GLY 55 HA2 GLY 55 2.818 3.346 4.469 408 H GLN 56 HN GLN 56 1.841 5.984 5.574 409 HA GLN 56 HA GLN 56 3.262 6.203 7.865 410 1HB GLN 56 HB2 GLN 56 1.752 8.063 8.523 411 2HB GLN 56 HB3 GLN 56 2.261 8.148 6.840 412 1HG GLN 56 HG2 GLN 56 0.124 7.307 6.119 413 2HG GLN 56 HG3 GLN 56 -0.373 7.048 7.789 414 1HE2 GLN 56 HE21 GLN 56 -0.818 9.010 5.260 415 2HE2 GLN 56 HE22 GLN 56 -1.195 10.488 6.071 416 H VAL 57 HN VAL 57 -0.009 4.987 7.579 417 HA VAL 57 HA VAL 57 -0.635 4.902 10.316 418 HB VAL 57 HB VAL 57 -2.461 3.405 9.663 419 1HG1 VAL 57 HG11 VAL 57 -3.033 5.022 7.510 420 2HG1 VAL 57 HG12 VAL 57 -3.329 5.418 9.203 421 3HG1 VAL 57 HG13 VAL 57 -1.849 5.972 8.413 422 1HG2 VAL 57 HG21 VAL 57 -0.872 3.215 7.129 423 2HG2 VAL 57 HG22 VAL 57 -1.592 1.927 8.093 424 3HG2 VAL 57 HG23 VAL 57 -2.619 2.975 7.117 425 H LEU 58 HN LEU 58 1.049 2.609 8.233 426 HA LEU 58 HA LEU 58 0.926 0.419 10.046 427 1HB LEU 58 HB2 LEU 58 3.080 0.896 7.989 428 2HB LEU 58 HB3 LEU 58 2.553 -0.643 8.655 429 HG LEU 58 HG LEU 58 0.931 1.136 6.828 430 1HD1 LEU 58 HD11 LEU 58 1.530 -1.538 5.898 431 2HD1 LEU 58 HD12 LEU 58 1.760 0.015 5.097 432 3HD1 LEU 58 HD13 LEU 58 2.996 -0.602 6.194 433 1HD2 LEU 58 HD21 LEU 58 0.233 -1.153 8.519 434 2HD2 LEU 58 HD22 LEU 58 -0.795 0.082 7.797 435 3HD2 LEU 58 HD23 LEU 58 -0.276 -1.302 6.838 436 H THR 59 HN THR 59 1.909 0.250 11.946 437 HA THR 59 HA THR 59 4.015 2.097 12.683 438 HB THR 59 HB THR 59 3.824 1.078 14.929 439 HG1 THR 59 HG1 THR 59 1.723 -0.477 13.799 440 1HG2 THR 59 HG21 THR 59 1.648 1.939 15.452 441 2HG2 THR 59 HG22 THR 59 1.110 1.734 13.784 442 3HG2 THR 59 HG23 THR 59 2.334 2.944 14.175 443 H ALA 60 HN ALA 60 5.647 0.859 14.350 444 HA ALA 60 HA ALA 60 7.454 -0.529 12.672 445 1HB ALA 60 HB1 ALA 60 7.726 0.866 14.959 446 2HB ALA 60 HB2 ALA 60 7.825 -0.778 15.585 447 3HB ALA 60 HB3 ALA 60 8.949 -0.243 14.337 448 H ASP 61 HN ASP 61 5.295 -1.613 15.284 449 HA ASP 61 HA ASP 61 6.086 -4.228 15.527 450 1HB ASP 61 HB2 ASP 61 3.783 -4.662 16.277 451 2HB ASP 61 HB3 ASP 61 4.438 -3.202 16.991 452 H ASP 62 HN ASP 62 4.385 -2.691 12.935 453 HA ASP 62 HA ASP 62 3.343 -5.054 11.722 454 1HB ASP 62 HB2 ASP 62 3.844 -2.293 10.592 455 2HB ASP 62 HB3 ASP 62 2.962 -3.567 9.760 456 H PHE 63 HN PHE 63 6.477 -4.274 12.177 457 HA PHE 63 HA PHE 63 7.845 -4.268 9.851 458 1HB PHE 63 HB2 PHE 63 8.579 -4.646 12.423 459 2HB PHE 63 HB3 PHE 63 8.868 -6.261 11.782 460 HD1 PHE 63 HD1 PHE 63 9.584 -2.684 11.067 461 HD2 PHE 63 HD2 PHE 63 10.860 -6.729 10.718 462 HE1 PHE 63 HE1 PHE 63 11.725 -1.925 10.121 463 HE2 PHE 63 HE2 PHE 63 13.005 -5.977 9.780 464 HZ PHE 63 HZ PHE 63 13.440 -3.571 9.479 465 HA PRO 64 HA PRO 64 7.271 -8.922 9.068 466 1HB PRO 64 HB2 PRO 64 6.108 -10.510 10.867 467 2HB PRO 64 HB3 PRO 64 7.765 -9.946 11.101 468 1HG PRO 64 HG2 PRO 64 5.259 -9.061 12.432 469 2HG PRO 64 HG3 PRO 64 6.907 -9.140 13.075 470 1HD PRO 64 HD2 PRO 64 5.578 -6.852 12.064 471 2HD PRO 64 HD3 PRO 64 7.290 -6.982 12.504 472 H PHE 65 HN PHE 65 5.709 -7.657 7.720 473 HA PHE 65 HA PHE 65 2.923 -7.815 8.303 474 1HB PHE 65 HB2 PHE 65 4.605 -6.480 6.415 475 2HB PHE 65 HB3 PHE 65 3.308 -7.304 5.549 476 HD1 PHE 65 HD1 PHE 65 4.221 -4.372 7.027 477 HD2 PHE 65 HD2 PHE 65 0.912 -7.007 6.782 478 HE1 PHE 65 HE1 PHE 65 2.735 -2.525 7.659 479 HE2 PHE 65 HE2 PHE 65 -0.605 -5.167 7.398 480 HZ PHE 65 HZ PHE 65 0.173 -3.011 7.759 481 H LYS 66 HN LYS 66 1.368 -9.078 7.435 482 HA LYS 66 HA LYS 66 2.086 -11.706 6.646 483 1HB LYS 66 HB2 LYS 66 0.084 -11.246 7.962 484 2HB LYS 66 HB3 LYS 66 -0.600 -10.334 6.630 485 1HG LYS 66 HG2 LYS 66 -1.577 -12.551 6.765 486 2HG LYS 66 HG3 LYS 66 -0.669 -12.358 5.267 487 1HD LYS 66 HD2 LYS 66 1.225 -13.547 6.259 488 2HD LYS 66 HD3 LYS 66 0.319 -13.736 7.762 489 1HE LYS 66 HE2 LYS 66 -0.454 -14.860 5.072 490 2HE LYS 66 HE3 LYS 66 0.238 -15.771 6.412 491 1HZ LYS 66 HZ1 LYS 66 -2.471 -14.801 6.035 492 2HZ LYS 66 HZ2 LYS 66 -1.860 -14.657 7.605 493 3HZ LYS 66 HZ3 LYS 66 -1.915 -16.173 6.856 494 H SER 67 HN SER 67 3.425 -10.750 4.824 495 HA SER 67 HA SER 67 3.835 -10.673 2.612 496 1HB SER 67 HB2 SER 67 1.102 -11.927 2.396 497 2HB SER 67 HB3 SER 67 2.286 -11.830 1.097 498 HG SER 67 HG SER 67 3.699 -13.073 2.418 499 H ALA 68 HN ALA 68 3.312 -9.644 0.595 500 HA ALA 68 HA ALA 68 2.521 -7.017 0.826 501 1HB ALA 68 HB1 ALA 68 3.668 -7.218 -1.089 502 2HB ALA 68 HB2 ALA 68 3.097 -8.861 -1.374 503 3HB ALA 68 HB3 ALA 68 2.079 -7.487 -1.806 504 H GLU 69 HN GLU 69 0.530 -9.819 0.323 505 HA GLU 69 HA GLU 69 -1.746 -8.494 -0.709 506 1HB GLU 69 HB2 GLU 69 -2.987 -10.508 0.041 507 2HB GLU 69 HB3 GLU 69 -1.559 -10.901 -0.905 508 1HG GLU 69 HG2 GLU 69 -0.357 -11.339 1.199 509 2HG GLU 69 HG3 GLU 69 -1.856 -11.034 2.072 510 H GLU 70 HN GLU 70 -0.588 -9.195 2.541 511 HA GLU 70 HA GLU 70 -2.887 -8.308 3.919 512 1HB GLU 70 HB2 GLU 70 -1.437 -9.707 5.094 513 2HB GLU 70 HB3 GLU 70 -0.017 -8.812 4.582 514 1HG GLU 70 HG2 GLU 70 -0.320 -8.417 6.869 515 2HG GLU 70 HG3 GLU 70 -0.750 -6.944 6.004 516 H VAL 71 HN VAL 71 0.177 -6.789 3.086 517 HA VAL 71 HA VAL 71 -0.322 -4.310 4.336 518 HB VAL 71 HB VAL 71 1.490 -4.882 2.001 519 1HG1 VAL 71 HG11 VAL 71 0.801 -2.436 3.029 520 2HG1 VAL 71 HG12 VAL 71 2.257 -2.833 3.941 521 3HG1 VAL 71 HG13 VAL 71 2.303 -2.799 2.179 522 1HG2 VAL 71 HG21 VAL 71 2.767 -4.663 4.567 523 2HG2 VAL 71 HG22 VAL 71 1.528 -5.915 4.596 524 3HG2 VAL 71 HG23 VAL 71 2.813 -5.983 3.402 525 H ALA 72 HN ALA 72 -0.838 -5.413 1.002 526 HA ALA 72 HA ALA 72 -1.604 -2.976 -0.105 527 1HB ALA 72 HB1 ALA 72 -3.135 -5.293 -1.055 528 2HB ALA 72 HB2 ALA 72 -2.096 -4.178 -1.942 529 3HB ALA 72 HB3 ALA 72 -1.387 -5.518 -1.043 530 H ASP 73 HN ASP 73 -3.531 -5.441 1.542 531 HA ASP 73 HA ASP 73 -6.008 -4.066 1.302 532 1HB ASP 73 HB2 ASP 73 -5.135 -6.252 3.208 533 2HB ASP 73 HB3 ASP 73 -6.796 -5.703 2.999 534 H THR 74 HN THR 74 -3.532 -4.244 3.813 535 HA THR 74 HA THR 74 -4.927 -2.882 5.833 536 HB THR 74 HB THR 74 -1.939 -2.973 5.379 537 HG1 THR 74 HG1 THR 74 -3.166 -5.032 5.599 538 1HG2 THR 74 HG21 THR 74 -2.805 -1.249 7.013 539 2HG2 THR 74 HG22 THR 74 -1.687 -2.438 7.681 540 3HG2 THR 74 HG23 THR 74 -3.419 -2.593 7.977 541 H ILE 75 HN ILE 75 -2.562 -1.642 3.465 542 HA ILE 75 HA ILE 75 -2.606 1.021 4.323 543 HB ILE 75 HB ILE 75 -2.035 -0.069 1.565 544 1HG1 ILE 75 HG12 ILE 75 -0.186 0.615 3.859 545 2HG1 ILE 75 HG13 ILE 75 -0.602 -1.011 3.329 546 1HG2 ILE 75 HG21 ILE 75 -0.982 2.518 2.648 547 2HG2 ILE 75 HG22 ILE 75 -1.073 1.969 0.976 548 3HG2 ILE 75 HG23 ILE 75 -2.541 2.450 1.827 549 1HD1 ILE 75 HD11 ILE 75 1.613 0.271 2.567 550 2HD1 ILE 75 HD12 ILE 75 0.802 -0.938 1.571 551 3HD1 ILE 75 HD13 ILE 75 0.522 0.778 1.277 552 H VAL 76 HN VAL 76 -4.379 -0.490 1.612 553 HA VAL 76 HA VAL 76 -5.767 1.794 0.823 554 HB VAL 76 HB VAL 76 -7.467 0.177 -0.134 555 1HG1 VAL 76 HG11 VAL 76 -5.468 -0.946 -1.540 556 2HG1 VAL 76 HG12 VAL 76 -6.008 0.719 -1.759 557 3HG1 VAL 76 HG13 VAL 76 -4.597 0.374 -0.758 558 1HG2 VAL 76 HG21 VAL 76 -5.936 -1.638 1.554 559 2HG2 VAL 76 HG22 VAL 76 -7.533 -1.839 0.833 560 3HG2 VAL 76 HG23 VAL 76 -6.086 -2.200 -0.112 561 H ASN 77 HN ASN 77 -6.593 -0.600 3.293 562 HA ASN 77 HA ASN 77 -9.228 0.260 3.762 563 1HB ASN 77 HB2 ASN 77 -7.235 -1.085 5.591 564 2HB ASN 77 HB3 ASN 77 -8.918 -0.811 6.023 565 1HD2 ASN 77 HD21 ASN 77 -8.917 -1.364 2.769 566 2HD2 ASN 77 HD22 ASN 77 -9.191 -3.066 2.776 567 H LYS 78 HN LYS 78 -6.278 1.032 5.626 568 HA LYS 78 HA LYS 78 -7.558 2.982 7.236 569 1HB LYS 78 HB2 LYS 78 -4.637 2.520 6.645 570 2HB LYS 78 HB3 LYS 78 -5.248 3.582 7.910 571 1HG LYS 78 HG2 LYS 78 -6.333 1.652 8.982 572 2HG LYS 78 HG3 LYS 78 -5.651 0.602 7.739 573 1HD LYS 78 HD2 LYS 78 -3.399 1.220 8.440 574 2HD LYS 78 HD3 LYS 78 -4.067 2.307 9.659 575 1HE LYS 78 HE2 LYS 78 -3.368 0.179 10.642 576 2HE LYS 78 HE3 LYS 78 -5.107 0.421 10.793 577 1HZ LYS 78 HZ1 LYS 78 -3.843 -1.774 9.740 578 2HZ LYS 78 HZ2 LYS 78 -4.450 -0.956 8.388 579 3HZ LYS 78 HZ3 LYS 78 -5.494 -1.417 9.636 580 H ALA 79 HN ALA 79 -5.632 3.161 4.293 581 HA ALA 79 HA ALA 79 -5.351 5.970 4.249 582 1HB ALA 79 HB1 ALA 79 -4.040 4.233 2.928 583 2HB ALA 79 HB2 ALA 79 -5.387 4.249 1.791 584 3HB ALA 79 HB3 ALA 79 -4.470 5.725 2.091 585 H GLY 80 HN GLY 80 -7.944 3.860 3.163 586 1HA GLY 80 HA1 GLY 80 -9.994 5.592 3.206 587 2HA GLY 80 HA2 GLY 80 -9.218 6.014 1.685 588 H LEU 81 HN LEU 81 -8.577 3.808 0.494 589 HA LEU 81 HA LEU 81 -11.036 2.779 -0.427 590 1HB LEU 81 HB2 LEU 81 -8.275 1.670 -0.914 591 2HB LEU 81 HB3 LEU 81 -9.698 1.451 -1.921 592 HG LEU 81 HG LEU 81 -8.476 4.161 -1.408 593 1HD1 LEU 81 HD11 LEU 81 -6.738 2.950 -2.464 594 2HD1 LEU 81 HD12 LEU 81 -7.860 2.143 -3.558 595 3HD1 LEU 81 HD13 LEU 81 -7.538 3.866 -3.741 596 1HD2 LEU 81 HD21 LEU 81 -9.670 4.307 -3.802 597 2HD2 LEU 81 HD22 LEU 81 -10.684 3.076 -3.049 598 3HD2 LEU 81 HD23 LEU 81 -10.501 4.657 -2.287 Start of MODEL 3 1 1H GLY -3 HT1 GLY -3 -13.448 18.404 -1.051 2 2H GLY -3 HT2 GLY -3 -13.882 16.849 -1.553 3 3H GLY -3 HT3 GLY -3 -13.023 17.865 -2.597 4 1HA GLY -3 HA2 GLY -3 -11.071 17.259 -1.774 5 2HA GLY -3 HA1 GLY -3 -11.637 17.550 -0.136 6 H SER -2 HN SER -2 -13.688 15.721 0.077 7 HA SER -2 HA SER -2 -12.312 13.366 0.719 8 1HB SER -2 HB2 SER -2 -14.413 13.996 1.809 9 2HB SER -2 HB3 SER -2 -15.281 13.777 0.290 10 HG SER -2 HG SER -2 -14.696 11.568 0.366 11 H HIS -1 HN HIS -1 -14.423 14.126 -2.031 12 HA HIS -1 HA HIS -1 -14.650 13.183 -4.086 13 1HB HIS -1 HB2 HIS -1 -11.967 11.945 -3.439 14 2HB HIS -1 HB3 HIS -1 -12.714 11.977 -5.032 15 HD1 HIS -1 HD1 HIS -1 -13.402 14.692 -5.663 16 HD2 HIS -1 HD2 HIS -1 -10.118 13.891 -3.246 17 HE1 HIS -1 HE1 HIS -1 -11.954 16.744 -5.795 18 HE2 HIS -1 HE2 HIS -1 -10.015 16.270 -4.258 19 H MET 1 HN MET 1 -15.800 11.503 -4.843 20 HA MET 1 HA MET 1 -16.663 9.464 -3.126 21 1HB MET 1 HB2 MET 1 -17.741 8.496 -5.114 22 2HB MET 1 HB3 MET 1 -18.010 10.230 -5.006 23 1HG MET 1 HG2 MET 1 -16.256 10.606 -6.663 24 2HG MET 1 HG3 MET 1 -15.991 8.867 -6.773 25 1HE MET 1 HE1 MET 1 -19.617 11.239 -8.224 26 2HE MET 1 HE2 MET 1 -19.791 10.524 -6.621 27 3HE MET 1 HE3 MET 1 -18.488 11.670 -6.939 28 H LYS 2 HN LYS 2 -16.131 7.318 -2.913 29 HA LYS 2 HA LYS 2 -13.471 6.558 -3.347 30 1HB LYS 2 HB2 LYS 2 -14.871 5.562 -1.600 31 2HB LYS 2 HB3 LYS 2 -15.888 4.816 -2.826 32 1HG LYS 2 HG2 LYS 2 -14.000 3.468 -3.580 33 2HG LYS 2 HG3 LYS 2 -12.972 4.223 -2.361 34 1HD LYS 2 HD2 LYS 2 -14.413 3.329 -0.595 35 2HD LYS 2 HD3 LYS 2 -15.441 2.576 -1.816 36 1HE LYS 2 HE2 LYS 2 -13.552 1.217 -2.568 37 2HE LYS 2 HE3 LYS 2 -12.522 1.972 -1.353 38 1HZ LYS 2 HZ1 LYS 2 -14.968 0.779 -0.351 39 2HZ LYS 2 HZ2 LYS 2 -13.400 0.733 0.282 40 3HZ LYS 2 HZ3 LYS 2 -13.835 -0.314 -0.973 41 H MET 3 HN MET 3 -12.467 5.888 -5.112 42 HA MET 3 HA MET 3 -14.003 5.300 -7.492 43 1HB MET 3 HB2 MET 3 -11.015 5.473 -7.069 44 2HB MET 3 HB3 MET 3 -11.808 5.285 -8.626 45 1HG MET 3 HG2 MET 3 -12.906 7.444 -8.329 46 2HG MET 3 HG3 MET 3 -12.111 7.632 -6.768 47 1HE MET 3 HE1 MET 3 -10.323 10.239 -7.982 48 2HE MET 3 HE2 MET 3 -11.082 10.057 -9.564 49 3HE MET 3 HE3 MET 3 -12.025 9.791 -8.099 50 H GLY 4 HN GLY 4 -13.989 3.388 -8.643 51 1HA GLY 4 HA1 GLY 4 -13.904 0.985 -7.220 52 2HA GLY 4 HA2 GLY 4 -13.905 1.119 -8.972 53 H VAL 5 HN VAL 5 -11.335 2.788 -8.590 54 HA VAL 5 HA VAL 5 -9.498 0.841 -9.287 55 HB VAL 5 HB VAL 5 -9.316 3.385 -9.500 56 1HG1 VAL 5 HG11 VAL 5 -9.414 3.688 -6.975 57 2HG1 VAL 5 HG12 VAL 5 -7.738 3.120 -6.961 58 3HG1 VAL 5 HG13 VAL 5 -8.169 4.600 -7.829 59 1HG2 VAL 5 HG21 VAL 5 -7.635 2.076 -10.468 60 2HG2 VAL 5 HG22 VAL 5 -6.822 3.310 -9.513 61 3HG2 VAL 5 HG23 VAL 5 -6.952 1.668 -8.892 62 H LYS 6 HN LYS 6 -10.834 1.181 -6.201 63 HA LYS 6 HA LYS 6 -8.788 1.005 -4.420 64 1HB LYS 6 HB2 LYS 6 -11.081 0.886 -3.667 65 2HB LYS 6 HB3 LYS 6 -11.321 -0.647 -4.493 66 1HG LYS 6 HG2 LYS 6 -9.722 -1.710 -2.972 67 2HG LYS 6 HG3 LYS 6 -9.510 -0.172 -2.133 68 1HD LYS 6 HD2 LYS 6 -11.852 -0.167 -1.498 69 2HD LYS 6 HD3 LYS 6 -12.123 -1.656 -2.405 70 1HE LYS 6 HE2 LYS 6 -10.577 -2.839 -0.930 71 2HE LYS 6 HE3 LYS 6 -10.287 -1.351 -0.031 72 1HZ LYS 6 HZ1 LYS 6 -11.867 -2.507 1.210 73 2HZ LYS 6 HZ2 LYS 6 -12.757 -2.970 -0.151 74 3HZ LYS 6 HZ3 LYS 6 -12.782 -1.360 0.367 75 H GLU 7 HN GLU 7 -10.028 -1.590 -6.472 76 HA GLU 7 HA GLU 7 -8.033 -3.466 -5.577 77 1HB GLU 7 HB2 GLU 7 -10.223 -4.265 -6.337 78 2HB GLU 7 HB3 GLU 7 -9.937 -3.577 -7.930 79 1HG GLU 7 HG2 GLU 7 -8.065 -5.109 -8.257 80 2HG GLU 7 HG3 GLU 7 -8.350 -5.798 -6.659 81 H ASP 8 HN ASP 8 -8.468 -1.252 -8.286 82 HA ASP 8 HA ASP 8 -6.398 -2.204 -9.904 83 1HB ASP 8 HB2 ASP 8 -7.939 0.290 -9.770 84 2HB ASP 8 HB3 ASP 8 -6.486 0.272 -10.763 85 H ILE 9 HN ILE 9 -6.338 0.517 -7.615 86 HA ILE 9 HA ILE 9 -3.590 1.087 -7.935 87 HB ILE 9 HB ILE 9 -5.587 1.753 -5.773 88 1HG1 ILE 9 HG12 ILE 9 -4.092 3.441 -7.786 89 2HG1 ILE 9 HG13 ILE 9 -5.776 2.952 -7.895 90 1HG2 ILE 9 HG21 ILE 9 -3.487 3.409 -5.243 91 2HG2 ILE 9 HG22 ILE 9 -3.868 1.942 -4.343 92 3HG2 ILE 9 HG23 ILE 9 -2.663 1.899 -5.630 93 1HD1 ILE 9 HD11 ILE 9 -4.529 5.087 -6.325 94 2HD1 ILE 9 HD12 ILE 9 -6.151 4.971 -7.006 95 3HD1 ILE 9 HD13 ILE 9 -5.774 4.160 -5.486 96 H ARG 10 HN ARG 10 -5.449 -0.831 -5.604 97 HA ARG 10 HA ARG 10 -3.345 -1.680 -3.965 98 1HB ARG 10 HB2 ARG 10 -5.886 -2.088 -3.688 99 2HB ARG 10 HB3 ARG 10 -5.666 -3.441 -4.782 100 1HG ARG 10 HG2 ARG 10 -4.050 -4.429 -3.221 101 2HG ARG 10 HG3 ARG 10 -4.330 -3.087 -2.109 102 1HD ARG 10 HD2 ARG 10 -5.633 -5.041 -1.463 103 2HD ARG 10 HD3 ARG 10 -6.684 -3.709 -1.942 104 HE ARG 10 HE ARG 10 -6.235 -5.325 -4.180 105 1HH1 ARG 10 HH12 ARG 10 -7.836 -5.477 -1.083 106 2HH1 ARG 10 HH11 ARG 10 -9.031 -6.611 -1.615 107 1HH2 ARG 10 HH22 ARG 10 -7.806 -6.816 -4.883 108 2HH2 ARG 10 HH21 ARG 10 -9.014 -7.372 -3.772 109 H GLY 11 HN GLY 11 -4.370 -2.611 -7.159 110 1HA GLY 11 HA1 GLY 11 -2.897 -5.039 -7.366 111 2HA GLY 11 HA2 GLY 11 -3.427 -4.036 -8.717 112 H GLN 12 HN GLN 12 -2.207 -1.670 -8.033 113 HA GLN 12 HA GLN 12 0.411 -2.031 -9.049 114 1HB GLN 12 HB2 GLN 12 -0.768 0.382 -7.652 115 2HB GLN 12 HB3 GLN 12 0.667 0.369 -8.662 116 1HG GLN 12 HG2 GLN 12 -0.727 -0.292 -10.584 117 2HG GLN 12 HG3 GLN 12 -2.150 -0.173 -9.551 118 1HE2 GLN 12 HE21 GLN 12 -3.232 1.627 -9.827 119 2HE2 GLN 12 HE22 GLN 12 -2.568 3.172 -10.222 120 H ILE 13 HN ILE 13 -0.972 -1.809 -5.861 121 HA ILE 13 HA ILE 13 1.426 -1.270 -4.437 122 HB ILE 13 HB ILE 13 -1.140 -2.525 -3.463 123 1HG1 ILE 13 HG12 ILE 13 -0.170 0.340 -3.365 124 2HG1 ILE 13 HG13 ILE 13 -1.454 -0.275 -4.399 125 1HG2 ILE 13 HG21 ILE 13 0.005 -2.948 -1.600 126 2HG2 ILE 13 HG22 ILE 13 1.396 -2.014 -2.152 127 3HG2 ILE 13 HG23 ILE 13 0.051 -1.203 -1.349 128 1HD1 ILE 13 HD11 ILE 13 -2.947 0.026 -2.799 129 2HD1 ILE 13 HD12 ILE 13 -1.997 -0.936 -1.667 130 3HD1 ILE 13 HD13 ILE 13 -1.687 0.792 -1.830 131 H ILE 14 HN ILE 14 -0.377 -4.250 -5.139 132 HA ILE 14 HA ILE 14 1.213 -6.024 -3.692 133 HB ILE 14 HB ILE 14 -0.519 -6.337 -6.118 134 1HG1 ILE 14 HG12 ILE 14 -1.574 -6.099 -3.918 135 2HG1 ILE 14 HG13 ILE 14 -1.856 -7.709 -4.573 136 1HG2 ILE 14 HG21 ILE 14 -0.182 -8.809 -5.942 137 2HG2 ILE 14 HG22 ILE 14 1.219 -7.929 -6.550 138 3HG2 ILE 14 HG23 ILE 14 1.190 -8.494 -4.880 139 1HD1 ILE 14 HD11 ILE 14 -1.089 -8.555 -2.689 140 2HD1 ILE 14 HD12 ILE 14 0.496 -7.877 -3.059 141 3HD1 ILE 14 HD13 ILE 14 -0.657 -6.949 -2.100 142 H GLY 15 HN GLY 15 1.461 -5.123 -7.143 143 1HA GLY 15 HA1 GLY 15 3.866 -6.577 -7.586 144 2HA GLY 15 HA2 GLY 15 3.233 -5.293 -8.610 145 H ALA 16 HN ALA 16 3.139 -3.297 -6.614 146 HA ALA 16 HA ALA 16 5.684 -2.155 -6.832 147 1HB ALA 16 HB1 ALA 16 3.989 -0.613 -6.525 148 2HB ALA 16 HB2 ALA 16 3.230 -1.542 -5.229 149 3HB ALA 16 HB3 ALA 16 4.724 -0.652 -4.922 150 H LEU 17 HN LEU 17 4.262 -4.201 -4.406 151 HA LEU 17 HA LEU 17 6.319 -3.735 -2.446 152 1HB LEU 17 HB2 LEU 17 3.986 -5.634 -2.613 153 2HB LEU 17 HB3 LEU 17 5.117 -5.631 -1.276 154 HG LEU 17 HG LEU 17 3.562 -3.173 -2.062 155 1HD1 LEU 17 HD11 LEU 17 2.723 -4.810 0.265 156 2HD1 LEU 17 HD12 LEU 17 1.777 -3.750 -0.775 157 3HD1 LEU 17 HD13 LEU 17 2.239 -5.354 -1.341 158 1HD2 LEU 17 HD21 LEU 17 5.615 -3.747 -0.169 159 2HD2 LEU 17 HD22 LEU 17 4.802 -2.215 -0.488 160 3HD2 LEU 17 HD23 LEU 17 4.140 -3.336 0.703 161 H ALA 18 HN ALA 18 5.592 -6.001 -4.965 162 HA ALA 18 HA ALA 18 7.188 -8.165 -4.204 163 1HB ALA 18 HB1 ALA 18 6.716 -9.013 -6.240 164 2HB ALA 18 HB2 ALA 18 5.581 -7.666 -6.307 165 3HB ALA 18 HB3 ALA 18 7.160 -7.528 -7.081 166 H GLY 19 HN GLY 19 9.336 -8.558 -4.198 167 1HA GLY 19 HA1 GLY 19 11.505 -8.241 -5.294 168 2HA GLY 19 HA2 GLY 19 11.086 -6.543 -5.468 169 H ALA 20 HN ALA 20 10.010 -6.290 -2.777 170 HA ALA 20 HA ALA 20 12.215 -5.360 -1.398 171 1HB ALA 20 HB1 ALA 20 10.776 -4.866 0.287 172 2HB ALA 20 HB2 ALA 20 9.592 -5.212 -0.973 173 3HB ALA 20 HB3 ALA 20 9.988 -6.442 0.227 174 H ASP 21 HN ASP 21 12.522 -6.239 1.032 175 HA ASP 21 HA ASP 21 14.096 -8.576 0.843 176 1HB ASP 21 HB2 ASP 21 13.003 -6.943 3.132 177 2HB ASP 21 HB3 ASP 21 13.923 -8.418 3.439 178 H PHE 22 HN PHE 22 12.296 -9.192 3.624 179 HA PHE 22 HA PHE 22 11.139 -11.533 2.542 180 1HB PHE 22 HB2 PHE 22 10.131 -11.883 4.657 181 2HB PHE 22 HB3 PHE 22 11.594 -11.001 5.041 182 HD1 PHE 22 HD1 PHE 22 11.280 -9.640 6.845 183 HD2 PHE 22 HD2 PHE 22 8.145 -9.945 3.995 184 HE1 PHE 22 HE1 PHE 22 9.962 -7.979 8.091 185 HE2 PHE 22 HE2 PHE 22 6.842 -8.255 5.192 186 HZ PHE 22 HZ PHE 22 7.746 -7.305 7.270 187 HA PRO 23 HA PRO 23 7.436 -10.010 0.734 188 1HB PRO 23 HB2 PRO 23 5.300 -11.095 2.020 189 2HB PRO 23 HB3 PRO 23 6.317 -11.999 0.898 190 1HG PRO 23 HG2 PRO 23 6.398 -11.929 3.891 191 2HG PRO 23 HG3 PRO 23 6.506 -13.326 2.800 192 1HD PRO 23 HD2 PRO 23 8.690 -12.234 3.923 193 2HD PRO 23 HD3 PRO 23 8.731 -12.905 2.281 194 H ILE 24 HN ILE 24 8.278 -7.935 1.932 195 HA ILE 24 HA ILE 24 7.217 -5.872 2.344 196 HB ILE 24 HB ILE 24 5.335 -7.415 4.106 197 1HG1 ILE 24 HG12 ILE 24 5.022 -7.839 1.715 198 2HG1 ILE 24 HG13 ILE 24 3.702 -6.852 2.335 199 1HG2 ILE 24 HG21 ILE 24 4.881 -4.609 3.236 200 2HG2 ILE 24 HG22 ILE 24 4.266 -5.451 4.646 201 3HG2 ILE 24 HG23 ILE 24 5.935 -4.906 4.611 202 1HD1 ILE 24 HD11 ILE 24 6.006 -6.056 0.601 203 2HD1 ILE 24 HD12 ILE 24 4.277 -5.847 0.326 204 3HD1 ILE 24 HD13 ILE 24 5.102 -4.862 1.530 205 H ASN 25 HN ASN 25 9.541 -6.174 3.305 206 HA ASN 25 HA ASN 25 9.867 -6.347 6.122 207 1HB ASN 25 HB2 ASN 25 11.502 -5.425 3.823 208 2HB ASN 25 HB3 ASN 25 11.982 -4.879 5.432 209 1HD2 ASN 25 HD21 ASN 25 13.462 -6.061 6.315 210 2HD2 ASN 25 HD22 ASN 25 13.657 -7.772 6.146 211 H SER 26 HN SER 26 7.826 -4.846 6.420 212 HA SER 26 HA SER 26 6.988 -2.861 7.150 213 1HB SER 26 HB2 SER 26 8.406 -1.461 8.472 214 2HB SER 26 HB3 SER 26 8.981 -3.110 8.712 215 HG SER 26 HG SER 26 10.834 -2.312 8.141 216 HA PRO 27 HA PRO 27 6.896 -0.093 3.813 217 1HB PRO 27 HB2 PRO 27 7.217 2.183 5.704 218 2HB PRO 27 HB3 PRO 27 5.985 1.922 4.463 219 1HG PRO 27 HG2 PRO 27 5.422 1.536 7.046 220 2HG PRO 27 HG3 PRO 27 4.759 0.463 5.797 221 1HD PRO 27 HD2 PRO 27 6.985 -0.022 7.722 222 2HD PRO 27 HD3 PRO 27 5.778 -1.153 7.073 223 H GLU 28 HN GLU 28 9.458 0.493 6.162 224 HA GLU 28 HA GLU 28 11.058 2.189 4.660 225 1HB GLU 28 HB2 GLU 28 12.006 -0.118 6.381 226 2HB GLU 28 HB3 GLU 28 12.954 1.289 5.912 227 1HG GLU 28 HG2 GLU 28 11.442 2.736 7.171 228 2HG GLU 28 HG3 GLU 28 10.492 1.328 7.645 229 H GLU 29 HN GLU 29 11.248 -1.368 4.767 230 HA GLU 29 HA GLU 29 13.020 -1.534 2.539 231 1HB GLU 29 HB2 GLU 29 12.857 -3.137 4.436 232 2HB GLU 29 HB3 GLU 29 11.300 -3.641 3.753 233 1HG GLU 29 HG2 GLU 29 13.102 -5.160 3.099 234 2HG GLU 29 HG3 GLU 29 12.418 -4.330 1.703 235 H LEU 30 HN LEU 30 9.664 -2.738 2.966 236 HA LEU 30 HA LEU 30 9.249 -3.583 0.383 237 1HB LEU 30 HB2 LEU 30 6.906 -3.442 0.817 238 2HB LEU 30 HB3 LEU 30 7.696 -3.898 2.314 239 HG LEU 30 HG LEU 30 7.627 -1.331 2.792 240 1HD1 LEU 30 HD11 LEU 30 5.057 -1.158 1.490 241 2HD1 LEU 30 HD12 LEU 30 6.411 -0.026 1.473 242 3HD1 LEU 30 HD13 LEU 30 6.363 -1.361 0.322 243 1HD2 LEU 30 HD21 LEU 30 6.427 -3.219 3.965 244 2HD2 LEU 30 HD22 LEU 30 5.664 -1.635 4.059 245 3HD2 LEU 30 HD23 LEU 30 5.041 -2.845 2.940 246 H MET 31 HN MET 31 8.852 -0.325 1.715 247 HA MET 31 HA MET 31 7.926 0.900 -0.664 248 1HB MET 31 HB2 MET 31 7.873 1.911 1.660 249 2HB MET 31 HB3 MET 31 9.595 2.214 1.483 250 1HG MET 31 HG2 MET 31 9.044 3.569 -0.553 251 2HG MET 31 HG3 MET 31 7.346 3.409 -0.107 252 1HE MET 31 HE1 MET 31 6.543 4.300 2.608 253 2HE MET 31 HE2 MET 31 7.873 3.228 3.039 254 3HE MET 31 HE3 MET 31 7.823 4.871 3.675 255 H ALA 32 HN ALA 32 11.070 0.009 0.649 256 HA ALA 32 HA ALA 32 12.626 1.482 -1.242 257 1HB ALA 32 HB1 ALA 32 14.487 0.352 -0.371 258 2HB ALA 32 HB2 ALA 32 13.375 0.491 0.990 259 3HB ALA 32 HB3 ALA 32 13.522 -1.038 0.124 260 H ALA 33 HN ALA 33 11.001 -1.604 -1.304 261 HA ALA 33 HA ALA 33 12.440 -2.732 -3.476 262 1HB ALA 33 HB1 ALA 33 10.993 -4.499 -3.323 263 2HB ALA 33 HB2 ALA 33 10.905 -3.822 -1.697 264 3HB ALA 33 HB3 ALA 33 9.626 -3.485 -2.861 265 H LEU 34 HN LEU 34 9.515 -0.781 -3.259 266 HA LEU 34 HA LEU 34 8.167 -1.005 -5.489 267 1HB LEU 34 HB2 LEU 34 9.173 1.492 -4.214 268 2HB LEU 34 HB3 LEU 34 8.269 1.610 -5.713 269 HG LEU 34 HG LEU 34 6.362 0.473 -4.687 270 1HD1 LEU 34 HD11 LEU 34 8.222 0.234 -2.355 271 2HD1 LEU 34 HD12 LEU 34 6.472 0.195 -2.145 272 3HD1 LEU 34 HD13 LEU 34 7.267 -1.018 -3.145 273 1HD2 LEU 34 HD21 LEU 34 6.190 2.795 -4.466 274 2HD2 LEU 34 HD22 LEU 34 5.892 2.178 -2.843 275 3HD2 LEU 34 HD23 LEU 34 7.463 2.861 -3.250 276 HA PRO 35 HA PRO 35 10.531 -1.369 -9.143 277 1HB PRO 35 HB2 PRO 35 8.752 0.041 -10.806 278 2HB PRO 35 HB3 PRO 35 8.759 -1.694 -10.485 279 1HG PRO 35 HG2 PRO 35 7.121 0.461 -9.238 280 2HG PRO 35 HG3 PRO 35 6.677 -1.213 -9.620 281 1HD PRO 35 HD2 PRO 35 7.186 -0.480 -7.114 282 2HD PRO 35 HD3 PRO 35 7.739 -2.055 -7.725 283 H ASN 36 HN ASN 36 9.227 1.934 -8.615 284 HA ASN 36 HA ASN 36 11.077 3.081 -10.443 285 1HB ASN 36 HB2 ASN 36 10.222 5.192 -9.845 286 2HB ASN 36 HB3 ASN 36 8.859 4.091 -9.719 287 1HD2 ASN 36 HD21 ASN 36 9.873 2.987 -7.157 288 2HD2 ASN 36 HD22 ASN 36 9.567 4.193 -5.973 289 H GLY 37 HN GLY 37 11.311 2.273 -7.074 290 1HA GLY 37 HA1 GLY 37 13.481 2.057 -6.075 291 2HA GLY 37 HA2 GLY 37 14.029 3.395 -7.074 292 HA PRO 38 HA PRO 38 13.029 6.140 -3.746 293 1HB PRO 38 HB2 PRO 38 12.209 8.399 -4.902 294 2HB PRO 38 HB3 PRO 38 13.845 7.779 -5.163 295 1HG PRO 38 HG2 PRO 38 11.448 7.619 -6.941 296 2HG PRO 38 HG3 PRO 38 13.140 7.935 -7.366 297 1HD PRO 38 HD2 PRO 38 11.883 5.480 -7.588 298 2HD PRO 38 HD3 PRO 38 13.637 5.707 -7.489 299 H ASP 39 HN ASP 39 10.901 4.322 -4.013 300 HA ASP 39 HA ASP 39 8.774 4.009 -3.279 301 1HB ASP 39 HB2 ASP 39 8.641 6.916 -2.514 302 2HB ASP 39 HB3 ASP 39 7.870 5.535 -1.735 303 H THR 40 HN THR 40 7.816 3.650 -5.296 304 HA THR 40 HA THR 40 7.005 5.807 -6.998 305 HB THR 40 HB THR 40 7.562 3.555 -7.898 306 HG1 THR 40 HG1 THR 40 6.060 5.119 -8.942 307 1HG2 THR 40 HG21 THR 40 5.800 1.801 -7.784 308 2HG2 THR 40 HG22 THR 40 4.967 2.772 -6.571 309 3HG2 THR 40 HG23 THR 40 6.569 2.122 -6.232 310 H THR 41 HN THR 41 5.045 6.762 -7.224 311 HA THR 41 HA THR 41 3.076 6.242 -5.131 312 HB THR 41 HB THR 41 3.122 8.451 -7.201 313 HG1 THR 41 HG1 THR 41 4.880 8.408 -5.581 314 1HG2 THR 41 HG21 THR 41 1.615 9.528 -5.411 315 2HG2 THR 41 HG22 THR 41 1.394 7.884 -4.811 316 3HG2 THR 41 HG23 THR 41 0.909 8.295 -6.455 317 H CYS 42 HN CYS 42 1.299 5.061 -5.500 318 HA CYS 42 HA CYS 42 0.640 4.320 -8.245 319 1HB CYS 42 HB2 CYS 42 -0.515 3.297 -5.641 320 2HB CYS 42 HB3 CYS 42 -0.828 2.632 -7.242 321 HG CYS 42 HG CYS 42 0.851 0.803 -6.198 322 H LYS 43 HN LYS 43 0.116 6.951 -7.793 323 HA LYS 43 HA LYS 43 -2.586 7.401 -6.967 324 1HB LYS 43 HB2 LYS 43 -2.219 9.692 -7.774 325 2HB LYS 43 HB3 LYS 43 -0.903 9.154 -6.733 326 1HG LYS 43 HG2 LYS 43 0.450 8.674 -8.731 327 2HG LYS 43 HG3 LYS 43 -0.865 9.266 -9.747 328 1HD LYS 43 HD2 LYS 43 0.777 11.010 -9.479 329 2HD LYS 43 HD3 LYS 43 -0.693 11.463 -8.613 330 1HE LYS 43 HE2 LYS 43 0.325 10.681 -6.517 331 2HE LYS 43 HE3 LYS 43 1.798 10.275 -7.394 332 1HZ LYS 43 HZ1 LYS 43 0.830 12.998 -7.706 333 2HZ LYS 43 HZ2 LYS 43 2.412 12.423 -7.540 334 3HZ LYS 43 HZ3 LYS 43 1.427 12.597 -6.175 335 H SER 44 HN SER 44 -4.343 8.054 -8.281 336 HA SER 44 HA SER 44 -4.128 7.698 -11.159 337 1HB SER 44 HB2 SER 44 -5.965 5.981 -9.469 338 2HB SER 44 HB3 SER 44 -5.964 6.043 -11.232 339 HG SER 44 HG SER 44 -3.720 5.360 -11.090 340 H GLY 45 HN GLY 45 -5.345 9.159 -12.162 341 1HA GLY 45 HA1 GLY 45 -7.005 10.684 -12.601 342 2HA GLY 45 HA2 GLY 45 -7.974 9.877 -11.378 343 H ASP 46 HN ASP 46 -6.931 10.316 -9.052 344 HA ASP 46 HA ASP 46 -5.884 12.970 -8.700 345 1HB ASP 46 HB2 ASP 46 -8.707 12.355 -7.794 346 2HB ASP 46 HB3 ASP 46 -7.796 13.797 -7.361 347 H VAL 47 HN VAL 47 -7.490 10.192 -7.214 348 HA VAL 47 HA VAL 47 -6.480 10.587 -4.601 349 HB VAL 47 HB VAL 47 -7.313 7.976 -5.880 350 1HG1 VAL 47 HG11 VAL 47 -7.791 8.506 -3.020 351 2HG1 VAL 47 HG12 VAL 47 -7.281 7.027 -3.834 352 3HG1 VAL 47 HG13 VAL 47 -6.106 8.296 -3.493 353 1HG2 VAL 47 HG21 VAL 47 -9.217 9.413 -4.158 354 2HG2 VAL 47 HG22 VAL 47 -8.894 10.171 -5.717 355 3HG2 VAL 47 HG23 VAL 47 -9.487 8.511 -5.650 356 H GLU 48 HN GLU 48 -4.622 9.894 -3.624 357 HA GLU 48 HA GLU 48 -2.711 8.399 -5.302 358 1HB GLU 48 HB2 GLU 48 -1.907 10.474 -3.268 359 2HB GLU 48 HB3 GLU 48 -0.910 9.724 -4.510 360 1HG GLU 48 HG2 GLU 48 -2.064 10.907 -6.240 361 2HG GLU 48 HG3 GLU 48 -3.233 11.546 -5.086 362 H LEU 49 HN LEU 49 -1.836 6.633 -4.414 363 HA LEU 49 HA LEU 49 -1.799 6.331 -1.506 364 1HB LEU 49 HB2 LEU 49 -3.110 4.411 -3.423 365 2HB LEU 49 HB3 LEU 49 -2.591 3.935 -1.818 366 HG LEU 49 HG LEU 49 -4.932 4.370 -1.739 367 1HD1 LEU 49 HD11 LEU 49 -3.475 6.714 -0.530 368 2HD1 LEU 49 HD12 LEU 49 -5.056 6.097 -0.046 369 3HD1 LEU 49 HD13 LEU 49 -3.615 5.108 0.186 370 1HD2 LEU 49 HD21 LEU 49 -4.965 7.197 -2.330 371 2HD2 LEU 49 HD22 LEU 49 -4.421 6.253 -3.716 372 3HD2 LEU 49 HD23 LEU 49 -5.975 5.899 -2.962 373 H LYS 50 HN LYS 50 -0.010 5.365 -0.778 374 HA LYS 50 HA LYS 50 1.495 3.482 -2.294 375 1HB LYS 50 HB2 LYS 50 3.555 4.878 -2.440 376 2HB LYS 50 HB3 LYS 50 2.251 5.433 -3.482 377 1HG LYS 50 HG2 LYS 50 1.683 7.170 -1.880 378 2HG LYS 50 HG3 LYS 50 2.953 6.595 -0.799 379 1HD LYS 50 HD2 LYS 50 3.370 7.677 -3.582 380 2HD LYS 50 HD3 LYS 50 3.674 8.554 -2.080 381 1HE LYS 50 HE2 LYS 50 5.320 6.834 -1.447 382 2HE LYS 50 HE3 LYS 50 5.046 6.029 -2.990 383 1HZ LYS 50 HZ1 LYS 50 6.925 7.913 -2.533 384 2HZ LYS 50 HZ2 LYS 50 5.689 8.823 -3.241 385 3HZ LYS 50 HZ3 LYS 50 6.329 7.489 -4.059 386 H ALA 51 HN ALA 51 3.832 3.378 -1.135 387 HA ALA 51 HA ALA 51 3.274 2.516 1.492 388 1HB ALA 51 HB1 ALA 51 5.594 2.577 -0.293 389 2HB ALA 51 HB2 ALA 51 5.986 2.632 1.425 390 3HB ALA 51 HB3 ALA 51 5.018 1.306 0.782 391 H SER 52 HN SER 52 4.870 5.425 0.237 392 HA SER 52 HA SER 52 5.729 6.381 2.753 393 1HB SER 52 HB2 SER 52 6.719 7.186 0.681 394 2HB SER 52 HB3 SER 52 5.179 7.898 0.196 395 HG SER 52 HG SER 52 6.987 9.164 1.420 396 H ASP 53 HN ASP 53 3.021 7.566 0.728 397 HA ASP 53 HA ASP 53 1.957 9.187 2.793 398 1HB ASP 53 HB2 ASP 53 0.660 8.148 0.265 399 2HB ASP 53 HB3 ASP 53 -0.009 9.408 1.299 400 H ALA 54 HN ALA 54 0.788 6.111 1.408 401 HA ALA 54 HA ALA 54 -1.268 5.817 3.359 402 1HB ALA 54 HB1 ALA 54 -0.732 4.687 0.921 403 2HB ALA 54 HB2 ALA 54 -0.434 3.360 2.042 404 3HB ALA 54 HB3 ALA 54 -1.997 4.177 2.039 405 H GLY 55 HN GLY 55 1.860 4.154 2.879 406 1HA GLY 55 HA1 GLY 55 1.776 2.378 4.984 407 2HA GLY 55 HA2 GLY 55 3.254 3.143 4.427 408 H GLN 56 HN GLN 56 2.131 5.823 5.130 409 HA GLN 56 HA GLN 56 3.341 6.432 7.471 410 1HB GLN 56 HB2 GLN 56 2.121 8.017 5.938 411 2HB GLN 56 HB3 GLN 56 0.627 7.494 6.674 412 1HG GLN 56 HG2 GLN 56 1.350 9.598 7.612 413 2HG GLN 56 HG3 GLN 56 1.363 8.325 8.830 414 1HE2 GLN 56 HE21 GLN 56 3.018 10.900 7.700 415 2HE2 GLN 56 HE22 GLN 56 4.611 10.491 8.230 416 H VAL 57 HN VAL 57 0.091 5.244 7.055 417 HA VAL 57 HA VAL 57 -0.732 5.356 9.729 418 HB VAL 57 HB VAL 57 -2.647 4.101 9.003 419 1HG1 VAL 57 HG11 VAL 57 -2.870 5.379 6.628 420 2HG1 VAL 57 HG12 VAL 57 -3.059 6.174 8.190 421 3HG1 VAL 57 HG13 VAL 57 -1.512 6.268 7.333 422 1HG2 VAL 57 HG21 VAL 57 -2.085 2.292 7.749 423 2HG2 VAL 57 HG22 VAL 57 -2.454 3.395 6.425 424 3HG2 VAL 57 HG23 VAL 57 -0.781 3.136 6.916 425 H LEU 58 HN LEU 58 0.963 2.860 7.913 426 HA LEU 58 HA LEU 58 0.543 0.771 9.796 427 1HB LEU 58 HB2 LEU 58 2.921 0.982 7.957 428 2HB LEU 58 HB3 LEU 58 2.162 -0.472 8.586 429 HG LEU 58 HG LEU 58 0.939 1.412 6.563 430 1HD1 LEU 58 HD11 LEU 58 1.201 -1.133 5.477 431 2HD1 LEU 58 HD12 LEU 58 2.154 0.296 5.080 432 3HD1 LEU 58 HD13 LEU 58 2.730 -0.836 6.302 433 1HD2 LEU 58 HD21 LEU 58 -0.191 -0.666 8.248 434 2HD2 LEU 58 HD22 LEU 58 -0.995 0.541 7.244 435 3HD2 LEU 58 HD23 LEU 58 -0.449 -0.976 6.531 436 H THR 59 HN THR 59 1.291 0.707 11.797 437 HA THR 59 HA THR 59 3.331 2.449 12.759 438 HB THR 59 HB THR 59 3.089 1.244 14.894 439 HG1 THR 59 HG1 THR 59 2.633 -0.826 14.488 440 1HG2 THR 59 HG21 THR 59 1.501 2.871 14.912 441 2HG2 THR 59 HG22 THR 59 0.421 1.477 14.900 442 3HG2 THR 59 HG23 THR 59 0.775 2.329 13.398 443 H ALA 60 HN ALA 60 5.335 1.812 13.759 444 HA ALA 60 HA ALA 60 7.031 0.331 12.178 445 1HB ALA 60 HB1 ALA 60 7.375 1.899 14.336 446 2HB ALA 60 HB2 ALA 60 7.686 0.318 15.052 447 3HB ALA 60 HB3 ALA 60 8.637 0.863 13.670 448 H ASP 61 HN ASP 61 5.150 -0.759 14.966 449 HA ASP 61 HA ASP 61 6.233 -3.280 15.339 450 1HB ASP 61 HB2 ASP 61 4.558 -2.293 16.839 451 2HB ASP 61 HB3 ASP 61 3.330 -2.459 15.589 452 H ASP 62 HN ASP 62 4.243 -2.103 12.765 453 HA ASP 62 HA ASP 62 3.274 -4.599 11.825 454 1HB ASP 62 HB2 ASP 62 3.620 -1.967 10.390 455 2HB ASP 62 HB3 ASP 62 2.749 -3.349 9.749 456 H PHE 63 HN PHE 63 6.423 -3.709 11.982 457 HA PHE 63 HA PHE 63 7.635 -3.900 9.597 458 1HB PHE 63 HB2 PHE 63 8.362 -4.652 12.290 459 2HB PHE 63 HB3 PHE 63 9.089 -5.754 11.126 460 HD1 PHE 63 HD1 PHE 63 8.465 -2.072 11.280 461 HD2 PHE 63 HD2 PHE 63 11.237 -5.225 10.600 462 HE1 PHE 63 HE1 PHE 63 10.221 -0.419 10.809 463 HE2 PHE 63 HE2 PHE 63 13.001 -3.579 10.131 464 HZ PHE 63 HZ PHE 63 12.495 -1.170 10.234 465 HA PRO 64 HA PRO 64 7.229 -8.644 9.155 466 1HB PRO 64 HB2 PRO 64 5.981 -10.085 11.053 467 2HB PRO 64 HB3 PRO 64 7.686 -9.641 11.188 468 1HG PRO 64 HG2 PRO 64 5.294 -8.381 12.475 469 2HG PRO 64 HG3 PRO 64 6.875 -8.758 13.183 470 1HD PRO 64 HD2 PRO 64 6.171 -6.265 12.321 471 2HD PRO 64 HD3 PRO 64 7.844 -6.856 12.338 472 H PHE 65 HN PHE 65 5.711 -7.472 7.706 473 HA PHE 65 HA PHE 65 2.898 -7.540 8.257 474 1HB PHE 65 HB2 PHE 65 4.645 -6.484 6.203 475 2HB PHE 65 HB3 PHE 65 3.244 -7.284 5.493 476 HD1 PHE 65 HD1 PHE 65 4.405 -4.415 7.438 477 HD2 PHE 65 HD2 PHE 65 1.016 -6.480 5.919 478 HE1 PHE 65 HE1 PHE 65 3.008 -2.443 7.869 479 HE2 PHE 65 HE2 PHE 65 -0.387 -4.518 6.339 480 HZ PHE 65 HZ PHE 65 0.608 -2.489 7.318 481 H LYS 66 HN LYS 66 1.347 -8.903 7.415 482 HA LYS 66 HA LYS 66 2.148 -11.577 6.841 483 1HB LYS 66 HB2 LYS 66 -0.562 -10.273 6.599 484 2HB LYS 66 HB3 LYS 66 -0.260 -11.998 6.501 485 1HG LYS 66 HG2 LYS 66 0.264 -10.259 8.901 486 2HG LYS 66 HG3 LYS 66 -1.103 -11.357 8.695 487 1HD LYS 66 HD2 LYS 66 0.448 -13.250 8.546 488 2HD LYS 66 HD3 LYS 66 1.810 -12.148 8.763 489 1HE LYS 66 HE2 LYS 66 0.952 -11.523 10.966 490 2HE LYS 66 HE3 LYS 66 -0.416 -12.613 10.746 491 1HZ LYS 66 HZ1 LYS 66 1.016 -14.481 10.779 492 2HZ LYS 66 HZ2 LYS 66 1.456 -13.520 12.099 493 3HZ LYS 66 HZ3 LYS 66 2.407 -13.519 10.701 494 H SER 67 HN SER 67 3.554 -10.692 5.048 495 HA SER 67 HA SER 67 4.084 -10.642 2.866 496 1HB SER 67 HB2 SER 67 1.428 -12.008 2.455 497 2HB SER 67 HB3 SER 67 2.777 -11.978 1.319 498 HG SER 67 HG SER 67 2.371 -13.782 3.094 499 H ALA 68 HN ALA 68 3.607 -9.702 0.784 500 HA ALA 68 HA ALA 68 2.715 -7.104 0.909 501 1HB ALA 68 HB1 ALA 68 3.475 -8.980 -1.187 502 2HB ALA 68 HB2 ALA 68 2.362 -7.724 -1.730 503 3HB ALA 68 HB3 ALA 68 3.896 -7.282 -0.978 504 H GLU 69 HN GLU 69 0.854 -9.998 0.388 505 HA GLU 69 HA GLU 69 -1.421 -8.860 -0.783 506 1HB GLU 69 HB2 GLU 69 -2.620 -10.845 0.048 507 2HB GLU 69 HB3 GLU 69 -1.100 -11.263 -0.731 508 1HG GLU 69 HG2 GLU 69 -0.076 -11.417 1.510 509 2HG GLU 69 HG3 GLU 69 -1.669 -11.137 2.206 510 H GLU 70 HN GLU 70 -0.689 -9.426 2.708 511 HA GLU 70 HA GLU 70 -3.148 -8.279 3.509 512 1HB GLU 70 HB2 GLU 70 -2.559 -8.698 5.665 513 2HB GLU 70 HB3 GLU 70 -1.467 -9.804 4.849 514 1HG GLU 70 HG2 GLU 70 0.318 -8.763 5.637 515 2HG GLU 70 HG3 GLU 70 -0.301 -7.187 5.165 516 H VAL 71 HN VAL 71 -0.008 -6.985 2.799 517 HA VAL 71 HA VAL 71 -0.347 -4.435 3.972 518 HB VAL 71 HB VAL 71 1.262 -5.230 1.549 519 1HG1 VAL 71 HG11 VAL 71 0.822 -2.623 2.846 520 2HG1 VAL 71 HG12 VAL 71 2.506 -3.036 2.518 521 3HG1 VAL 71 HG13 VAL 71 1.333 -3.002 1.201 522 1HG2 VAL 71 HG21 VAL 71 1.783 -6.254 3.821 523 2HG2 VAL 71 HG22 VAL 71 3.094 -5.437 2.981 524 3HG2 VAL 71 HG23 VAL 71 2.273 -4.630 4.307 525 H ALA 72 HN ALA 72 -1.205 -5.717 0.789 526 HA ALA 72 HA ALA 72 -2.031 -3.319 -0.396 527 1HB ALA 72 HB1 ALA 72 -2.209 -4.716 -2.110 528 2HB ALA 72 HB2 ALA 72 -2.113 -6.103 -1.026 529 3HB ALA 72 HB3 ALA 72 -3.678 -5.380 -1.394 530 H ASP 73 HN ASP 73 -3.950 -5.789 1.313 531 HA ASP 73 HA ASP 73 -6.392 -4.352 1.154 532 1HB ASP 73 HB2 ASP 73 -5.548 -6.520 3.089 533 2HB ASP 73 HB3 ASP 73 -7.200 -5.956 2.851 534 H THR 74 HN THR 74 -3.854 -4.527 3.582 535 HA THR 74 HA THR 74 -5.170 -3.113 5.631 536 HB THR 74 HB THR 74 -2.213 -3.405 5.071 537 HG1 THR 74 HG1 THR 74 -2.753 -5.393 5.616 538 1HG2 THR 74 HG21 THR 74 -3.703 -2.316 7.442 539 2HG2 THR 74 HG22 THR 74 -2.340 -1.611 6.573 540 3HG2 THR 74 HG23 THR 74 -2.093 -3.019 7.605 541 H ILE 75 HN ILE 75 -2.779 -1.996 3.234 542 HA ILE 75 HA ILE 75 -2.669 0.669 4.015 543 HB ILE 75 HB ILE 75 -2.252 -0.602 1.315 544 1HG1 ILE 75 HG12 ILE 75 -0.338 0.476 3.396 545 2HG1 ILE 75 HG13 ILE 75 -0.659 -1.225 3.074 546 1HG2 ILE 75 HG21 ILE 75 -2.285 2.244 2.073 547 2HG2 ILE 75 HG22 ILE 75 -0.912 1.718 1.101 548 3HG2 ILE 75 HG23 ILE 75 -2.555 1.481 0.507 549 1HD1 ILE 75 HD11 ILE 75 0.644 0.749 1.216 550 2HD1 ILE 75 HD12 ILE 75 1.417 -0.593 2.058 551 3HD1 ILE 75 HD13 ILE 75 0.232 -0.912 0.791 552 H VAL 76 HN VAL 76 -4.649 -0.734 1.395 553 HA VAL 76 HA VAL 76 -5.968 1.606 0.683 554 HB VAL 76 HB VAL 76 -7.804 0.057 -0.153 555 1HG1 VAL 76 HG11 VAL 76 -5.939 -1.136 -1.682 556 2HG1 VAL 76 HG12 VAL 76 -6.427 0.549 -1.870 557 3HG1 VAL 76 HG13 VAL 76 -4.971 0.150 -0.958 558 1HG2 VAL 76 HG21 VAL 76 -7.885 -1.978 0.752 559 2HG2 VAL 76 HG22 VAL 76 -6.435 -2.359 -0.180 560 3HG2 VAL 76 HG23 VAL 76 -6.292 -1.789 1.483 561 H ASN 77 HN ASN 77 -6.819 -0.757 3.182 562 HA ASN 77 HA ASN 77 -9.355 0.326 3.782 563 1HB ASN 77 HB2 ASN 77 -7.457 -1.290 5.488 564 2HB ASN 77 HB3 ASN 77 -9.111 -0.907 5.946 565 1HD2 ASN 77 HD21 ASN 77 -9.233 -1.271 2.687 566 2HD2 ASN 77 HD22 ASN 77 -9.611 -2.950 2.598 567 H LYS 78 HN LYS 78 -6.232 0.754 5.464 568 HA LYS 78 HA LYS 78 -7.264 2.709 7.259 569 1HB LYS 78 HB2 LYS 78 -4.399 2.091 6.543 570 2HB LYS 78 HB3 LYS 78 -4.945 2.985 7.958 571 1HG LYS 78 HG2 LYS 78 -6.138 0.954 8.725 572 2HG LYS 78 HG3 LYS 78 -5.449 0.077 7.357 573 1HD LYS 78 HD2 LYS 78 -4.116 -0.357 9.313 574 2HD LYS 78 HD3 LYS 78 -3.185 0.648 8.200 575 1HE LYS 78 HE2 LYS 78 -3.787 2.634 9.506 576 2HE LYS 78 HE3 LYS 78 -4.702 1.621 10.619 577 1HZ LYS 78 HZ1 LYS 78 -2.180 2.313 11.029 578 2HZ LYS 78 HZ2 LYS 78 -1.926 0.872 10.181 579 3HZ LYS 78 HZ3 LYS 78 -2.839 0.864 11.605 580 H ALA 79 HN ALA 79 -5.410 2.860 4.261 581 HA ALA 79 HA ALA 79 -4.846 5.624 4.360 582 1HB ALA 79 HB1 ALA 79 -4.059 5.415 2.158 583 2HB ALA 79 HB2 ALA 79 -3.738 3.856 2.918 584 3HB ALA 79 HB3 ALA 79 -5.110 4.039 1.824 585 H GLY 80 HN GLY 80 -7.669 3.857 3.236 586 1HA GLY 80 HA1 GLY 80 -9.500 5.837 3.413 587 2HA GLY 80 HA2 GLY 80 -8.742 6.167 1.861 588 H LEU 81 HN LEU 81 -8.420 3.915 0.647 589 HA LEU 81 HA LEU 81 -11.011 3.188 -0.191 590 1HB LEU 81 HB2 LEU 81 -8.422 1.742 -0.737 591 2HB LEU 81 HB3 LEU 81 -9.885 1.697 -1.706 592 HG LEU 81 HG LEU 81 -8.319 4.233 -1.253 593 1HD1 LEU 81 HD11 LEU 81 -7.797 3.538 -3.826 594 2HD1 LEU 81 HD12 LEU 81 -6.709 3.236 -2.471 595 3HD1 LEU 81 HD13 LEU 81 -7.780 1.958 -3.042 596 1HD2 LEU 81 HD21 LEU 81 -10.834 3.937 -2.162 597 2HD2 LEU 81 HD22 LEU 81 -9.745 5.216 -2.699 598 3HD2 LEU 81 HD23 LEU 81 -9.941 3.759 -3.673 Start of MODEL 4 1 1H GLY -3 HT1 GLY -3 -18.504 3.121 4.934 2 2H GLY -3 HT2 GLY -3 -17.599 3.839 3.700 3 3H GLY -3 HT3 GLY -3 -16.821 2.953 4.912 4 1HA GLY -3 HA2 GLY -3 -17.435 1.967 2.506 5 2HA GLY -3 HA1 GLY -3 -17.211 0.989 3.949 6 H SER -2 HN SER -2 -19.877 3.156 3.045 7 HA SER -2 HA SER -2 -21.888 1.438 3.960 8 1HB SER -2 HB2 SER -2 -23.444 2.894 2.706 9 2HB SER -2 HB3 SER -2 -22.268 3.833 3.624 10 HG SER -2 HG SER -2 -21.040 3.893 1.589 11 H HIS -1 HN HIS -1 -20.598 1.945 0.697 12 HA HIS -1 HA HIS -1 -21.032 -0.720 -0.099 13 1HB HIS -1 HB2 HIS -1 -22.828 -0.406 -1.741 14 2HB HIS -1 HB3 HIS -1 -23.395 -0.062 -0.111 15 HD1 HIS -1 HD1 HIS -1 -23.025 2.737 0.414 16 HD2 HIS -1 HD2 HIS -1 -23.777 1.434 -3.459 17 HE1 HIS -1 HE1 HIS -1 -23.916 4.744 -0.810 18 HE2 HIS -1 HE2 HIS -1 -24.467 3.903 -3.119 19 H MET 1 HN MET 1 -19.746 -1.161 -1.768 20 HA MET 1 HA MET 1 -18.088 -0.876 -3.289 21 1HB MET 1 HB2 MET 1 -18.685 0.456 -5.269 22 2HB MET 1 HB3 MET 1 -19.991 -0.601 -4.758 23 1HG MET 1 HG2 MET 1 -21.166 1.251 -3.772 24 2HG MET 1 HG3 MET 1 -19.821 2.335 -4.123 25 1HE MET 1 HE1 MET 1 -22.900 2.914 -4.984 26 2HE MET 1 HE2 MET 1 -21.530 4.001 -5.213 27 3HE MET 1 HE3 MET 1 -22.583 3.611 -6.572 28 H LYS 2 HN LYS 2 -16.157 -0.004 -3.094 29 HA LYS 2 HA LYS 2 -15.727 2.413 -1.664 30 1HB LYS 2 HB2 LYS 2 -14.122 0.538 -1.651 31 2HB LYS 2 HB3 LYS 2 -13.800 0.810 -3.355 32 1HG LYS 2 HG2 LYS 2 -12.042 1.752 -1.983 33 2HG LYS 2 HG3 LYS 2 -12.907 3.020 -2.850 34 1HD LYS 2 HD2 LYS 2 -12.533 3.773 -0.609 35 2HD LYS 2 HD3 LYS 2 -14.251 3.417 -0.786 36 1HE LYS 2 HE2 LYS 2 -12.280 1.450 0.353 37 2HE LYS 2 HE3 LYS 2 -13.146 2.618 1.349 38 1HZ LYS 2 HZ1 LYS 2 -14.051 0.143 0.259 39 2HZ LYS 2 HZ2 LYS 2 -15.087 1.413 -0.159 40 3HZ LYS 2 HZ3 LYS 2 -14.746 1.102 1.466 41 H MET 3 HN MET 3 -15.092 1.541 -5.057 42 HA MET 3 HA MET 3 -16.112 3.867 -6.187 43 1HB MET 3 HB2 MET 3 -14.313 5.041 -5.015 44 2HB MET 3 HB3 MET 3 -13.120 3.978 -5.749 45 1HG MET 3 HG2 MET 3 -13.169 6.131 -6.857 46 2HG MET 3 HG3 MET 3 -13.685 4.850 -7.951 47 1HE MET 3 HE1 MET 3 -15.736 8.246 -6.033 48 2HE MET 3 HE2 MET 3 -16.629 6.867 -5.393 49 3HE MET 3 HE3 MET 3 -14.881 6.956 -5.188 50 H GLY 4 HN GLY 4 -13.197 1.835 -6.538 51 1HA GLY 4 HA1 GLY 4 -13.965 0.119 -8.464 52 2HA GLY 4 HA2 GLY 4 -13.655 1.581 -9.388 53 H VAL 5 HN VAL 5 -11.438 2.621 -8.234 54 HA VAL 5 HA VAL 5 -9.416 0.867 -9.217 55 HB VAL 5 HB VAL 5 -9.444 3.445 -9.272 56 1HG1 VAL 5 HG11 VAL 5 -9.575 3.573 -6.738 57 2HG1 VAL 5 HG12 VAL 5 -7.872 3.092 -6.738 58 3HG1 VAL 5 HG13 VAL 5 -8.369 4.605 -7.509 59 1HG2 VAL 5 HG21 VAL 5 -7.675 2.282 -10.306 60 2HG2 VAL 5 HG22 VAL 5 -6.958 3.536 -9.297 61 3HG2 VAL 5 HG23 VAL 5 -6.963 1.863 -8.745 62 H LYS 6 HN LYS 6 -10.922 0.951 -6.213 63 HA LYS 6 HA LYS 6 -8.939 0.820 -4.338 64 1HB LYS 6 HB2 LYS 6 -11.228 0.543 -3.664 65 2HB LYS 6 HB3 LYS 6 -11.390 -0.932 -4.608 66 1HG LYS 6 HG2 LYS 6 -9.753 -2.019 -3.099 67 2HG LYS 6 HG3 LYS 6 -9.731 -0.548 -2.123 68 1HD LYS 6 HD2 LYS 6 -12.081 -0.789 -1.627 69 2HD LYS 6 HD3 LYS 6 -12.204 -2.173 -2.716 70 1HE LYS 6 HE2 LYS 6 -10.666 -3.431 -1.291 71 2HE LYS 6 HE3 LYS 6 -10.531 -2.048 -0.207 72 1HZ LYS 6 HZ1 LYS 6 -12.616 -2.375 0.622 73 2HZ LYS 6 HZ2 LYS 6 -12.197 -3.979 0.283 74 3HZ LYS 6 HZ3 LYS 6 -13.196 -3.125 -0.780 75 H GLU 7 HN GLU 7 -10.005 -1.786 -6.484 76 HA GLU 7 HA GLU 7 -7.879 -3.541 -5.654 77 1HB GLU 7 HB2 GLU 7 -9.793 -3.740 -7.993 78 2HB GLU 7 HB3 GLU 7 -8.698 -5.011 -7.468 79 1HG GLU 7 HG2 GLU 7 -9.859 -5.138 -5.328 80 2HG GLU 7 HG3 GLU 7 -10.952 -3.854 -5.843 81 H ASP 8 HN ASP 8 -8.440 -1.225 -8.239 82 HA ASP 8 HA ASP 8 -6.397 -2.040 -9.967 83 1HB ASP 8 HB2 ASP 8 -7.881 0.485 -9.623 84 2HB ASP 8 HB3 ASP 8 -6.544 0.407 -10.758 85 H ILE 9 HN ILE 9 -6.338 0.553 -7.539 86 HA ILE 9 HA ILE 9 -3.592 1.160 -7.888 87 HB ILE 9 HB ILE 9 -5.594 1.797 -5.726 88 1HG1 ILE 9 HG12 ILE 9 -4.022 3.515 -7.655 89 2HG1 ILE 9 HG13 ILE 9 -5.708 3.053 -7.828 90 1HG2 ILE 9 HG21 ILE 9 -3.873 1.871 -4.273 91 2HG2 ILE 9 HG22 ILE 9 -2.658 1.932 -5.550 92 3HG2 ILE 9 HG23 ILE 9 -3.513 3.399 -5.074 93 1HD1 ILE 9 HD11 ILE 9 -5.406 4.246 -5.285 94 2HD1 ILE 9 HD12 ILE 9 -4.610 5.279 -6.472 95 3HD1 ILE 9 HD13 ILE 9 -6.305 4.840 -6.682 96 H ARG 10 HN ARG 10 -5.425 -0.800 -5.568 97 HA ARG 10 HA ARG 10 -3.301 -1.672 -3.967 98 1HB ARG 10 HB2 ARG 10 -5.848 -2.089 -3.686 99 2HB ARG 10 HB3 ARG 10 -5.614 -3.441 -4.779 100 1HG ARG 10 HG2 ARG 10 -3.975 -4.402 -3.222 101 2HG ARG 10 HG3 ARG 10 -4.281 -3.067 -2.108 102 1HD ARG 10 HD2 ARG 10 -5.548 -5.048 -1.468 103 2HD ARG 10 HD3 ARG 10 -6.622 -3.733 -1.941 104 HE ARG 10 HE ARG 10 -6.144 -5.335 -4.184 105 1HH1 ARG 10 HH12 ARG 10 -7.744 -5.519 -1.089 106 2HH1 ARG 10 HH11 ARG 10 -8.920 -6.672 -1.625 107 1HH2 ARG 10 HH22 ARG 10 -7.689 -6.850 -4.892 108 2HH2 ARG 10 HH21 ARG 10 -8.889 -7.429 -3.784 109 H GLY 11 HN GLY 11 -4.346 -2.547 -7.165 110 1HA GLY 11 HA1 GLY 11 -2.889 -4.984 -7.409 111 2HA GLY 11 HA2 GLY 11 -3.441 -3.972 -8.744 112 H GLN 12 HN GLN 12 -2.198 -1.621 -8.134 113 HA GLN 12 HA GLN 12 0.411 -2.030 -9.161 114 1HB GLN 12 HB2 GLN 12 -0.787 0.430 -7.868 115 2HB GLN 12 HB3 GLN 12 0.674 0.389 -8.841 116 1HG GLN 12 HG2 GLN 12 -0.650 -0.330 -10.777 117 2HG GLN 12 HG3 GLN 12 -2.109 -0.233 -9.792 118 1HE2 GLN 12 HE21 GLN 12 -3.234 1.529 -10.140 119 2HE2 GLN 12 HE22 GLN 12 -2.603 3.084 -10.549 120 H ILE 13 HN ILE 13 -0.950 -1.672 -5.974 121 HA ILE 13 HA ILE 13 1.473 -1.117 -4.591 122 HB ILE 13 HB ILE 13 -1.132 -2.248 -3.566 123 1HG1 ILE 13 HG12 ILE 13 -0.012 0.563 -3.480 124 2HG1 ILE 13 HG13 ILE 13 -1.309 0.014 -4.535 125 1HG2 ILE 13 HG21 ILE 13 1.437 -1.697 -2.246 126 2HG2 ILE 13 HG22 ILE 13 0.013 -1.057 -1.425 127 3HG2 ILE 13 HG23 ILE 13 0.127 -2.781 -1.778 128 1HD1 ILE 13 HD11 ILE 13 -1.488 1.047 -1.918 129 2HD1 ILE 13 HD12 ILE 13 -2.788 0.476 -2.964 130 3HD1 ILE 13 HD13 ILE 13 -1.991 -0.642 -1.857 131 H ILE 14 HN ILE 14 -0.371 -4.078 -5.236 132 HA ILE 14 HA ILE 14 1.168 -5.845 -3.715 133 HB ILE 14 HB ILE 14 -0.510 -6.208 -6.180 134 1HG1 ILE 14 HG12 ILE 14 -1.666 -5.839 -4.062 135 2HG1 ILE 14 HG13 ILE 14 -1.930 -7.490 -4.615 136 1HG2 ILE 14 HG21 ILE 14 -0.181 -8.759 -5.417 137 2HG2 ILE 14 HG22 ILE 14 0.801 -7.994 -6.665 138 3HG2 ILE 14 HG23 ILE 14 1.418 -8.130 -5.018 139 1HD1 ILE 14 HD11 ILE 14 0.018 -8.102 -3.076 140 2HD1 ILE 14 HD12 ILE 14 -0.241 -6.514 -2.354 141 3HD1 ILE 14 HD13 ILE 14 -1.539 -7.707 -2.350 142 H GLY 15 HN GLY 15 1.454 -5.054 -7.189 143 1HA GLY 15 HA1 GLY 15 3.843 -6.539 -7.579 144 2HA GLY 15 HA2 GLY 15 3.241 -5.262 -8.631 145 H ALA 16 HN ALA 16 3.146 -3.245 -6.643 146 HA ALA 16 HA ALA 16 5.706 -2.133 -6.851 147 1HB ALA 16 HB1 ALA 16 3.199 -1.475 -5.396 148 2HB ALA 16 HB2 ALA 16 4.682 -0.681 -4.864 149 3HB ALA 16 HB3 ALA 16 4.140 -0.505 -6.533 150 H LEU 17 HN LEU 17 4.219 -4.119 -4.406 151 HA LEU 17 HA LEU 17 6.282 -3.696 -2.444 152 1HB LEU 17 HB2 LEU 17 3.868 -5.482 -2.619 153 2HB LEU 17 HB3 LEU 17 5.020 -5.613 -1.310 154 HG LEU 17 HG LEU 17 3.583 -3.043 -1.952 155 1HD1 LEU 17 HD11 LEU 17 2.395 -3.898 0.308 156 2HD1 LEU 17 HD12 LEU 17 1.730 -4.152 -1.306 157 3HD1 LEU 17 HD13 LEU 17 2.642 -5.437 -0.514 158 1HD2 LEU 17 HD21 LEU 17 5.773 -3.460 -0.414 159 2HD2 LEU 17 HD22 LEU 17 4.601 -2.170 -0.147 160 3HD2 LEU 17 HD23 LEU 17 4.487 -3.668 0.776 161 H ALA 18 HN ALA 18 5.503 -5.957 -4.954 162 HA ALA 18 HA ALA 18 7.066 -8.145 -4.166 163 1HB ALA 18 HB1 ALA 18 5.416 -8.129 -6.035 164 2HB ALA 18 HB2 ALA 18 6.596 -7.246 -7.004 165 3HB ALA 18 HB3 ALA 18 6.959 -8.878 -6.444 166 H GLY 19 HN GLY 19 9.208 -8.530 -4.133 167 1HA GLY 19 HA1 GLY 19 11.355 -8.260 -5.326 168 2HA GLY 19 HA2 GLY 19 10.960 -6.555 -5.463 169 H ALA 20 HN ALA 20 9.953 -6.312 -2.750 170 HA ALA 20 HA ALA 20 12.212 -5.453 -1.409 171 1HB ALA 20 HB1 ALA 20 9.604 -5.242 -0.926 172 2HB ALA 20 HB2 ALA 20 9.993 -6.496 0.253 173 3HB ALA 20 HB3 ALA 20 10.823 -4.941 0.312 174 H ASP 21 HN ASP 21 12.555 -6.370 1.003 175 HA ASP 21 HA ASP 21 14.072 -8.731 0.753 176 1HB ASP 21 HB2 ASP 21 13.043 -7.131 3.094 177 2HB ASP 21 HB3 ASP 21 13.948 -8.625 3.351 178 H PHE 22 HN PHE 22 12.274 -9.337 3.549 179 HA PHE 22 HA PHE 22 11.107 -11.672 2.467 180 1HB PHE 22 HB2 PHE 22 10.104 -12.020 4.584 181 2HB PHE 22 HB3 PHE 22 11.573 -11.147 4.961 182 HD1 PHE 22 HD1 PHE 22 11.283 -9.797 6.769 183 HD2 PHE 22 HD2 PHE 22 8.115 -10.065 3.951 184 HE1 PHE 22 HE1 PHE 22 9.983 -8.145 8.044 185 HE2 PHE 22 HE2 PHE 22 6.826 -8.384 5.182 186 HZ PHE 22 HZ PHE 22 7.759 -7.459 7.260 187 HA PRO 23 HA PRO 23 7.380 -10.153 0.697 188 1HB PRO 23 HB2 PRO 23 5.251 -11.195 2.023 189 2HB PRO 23 HB3 PRO 23 6.256 -12.139 0.923 190 1HG PRO 23 HG2 PRO 23 6.369 -11.970 3.913 191 2HG PRO 23 HG3 PRO 23 6.433 -13.407 2.871 192 1HD PRO 23 HD2 PRO 23 8.656 -12.329 3.916 193 2HD PRO 23 HD3 PRO 23 8.655 -13.038 2.291 194 H ILE 24 HN ILE 24 8.282 -8.079 1.888 195 HA ILE 24 HA ILE 24 7.266 -5.993 2.289 196 HB ILE 24 HB ILE 24 5.338 -7.495 4.037 197 1HG1 ILE 24 HG12 ILE 24 4.973 -7.945 1.686 198 2HG1 ILE 24 HG13 ILE 24 3.731 -6.829 2.241 199 1HG2 ILE 24 HG21 ILE 24 4.313 -5.521 4.584 200 2HG2 ILE 24 HG22 ILE 24 5.985 -4.996 4.538 201 3HG2 ILE 24 HG23 ILE 24 4.929 -4.684 3.168 202 1HD1 ILE 24 HD11 ILE 24 5.799 -6.488 0.235 203 2HD1 ILE 24 HD12 ILE 24 4.289 -5.611 0.472 204 3HD1 ILE 24 HD13 ILE 24 5.725 -5.155 1.386 205 H ASN 25 HN ASN 25 9.572 -6.308 3.259 206 HA ASN 25 HA ASN 25 9.892 -6.501 6.075 207 1HB ASN 25 HB2 ASN 25 11.537 -5.575 3.784 208 2HB ASN 25 HB3 ASN 25 12.028 -5.063 5.400 209 1HD2 ASN 25 HD21 ASN 25 13.499 -6.281 6.250 210 2HD2 ASN 25 HD22 ASN 25 13.662 -7.993 6.057 211 H SER 26 HN SER 26 7.868 -4.975 6.356 212 HA SER 26 HA SER 26 7.051 -2.985 7.104 213 1HB SER 26 HB2 SER 26 8.458 -1.636 8.468 214 2HB SER 26 HB3 SER 26 9.062 -3.282 8.660 215 HG SER 26 HG SER 26 10.546 -1.343 8.110 216 HA PRO 27 HA PRO 27 7.054 -0.128 3.842 217 1HB PRO 27 HB2 PRO 27 7.454 2.109 5.762 218 2HB PRO 27 HB3 PRO 27 6.193 1.888 4.543 219 1HG PRO 27 HG2 PRO 27 5.675 1.492 7.134 220 2HG PRO 27 HG3 PRO 27 4.957 0.454 5.888 221 1HD PRO 27 HD2 PRO 27 7.217 -0.110 7.750 222 2HD PRO 27 HD3 PRO 27 5.957 -1.200 7.134 223 H GLU 28 HN GLU 28 9.646 0.369 6.197 224 HA GLU 28 HA GLU 28 11.272 2.034 4.689 225 1HB GLU 28 HB2 GLU 28 12.183 -0.302 6.390 226 2HB GLU 28 HB3 GLU 28 13.163 1.081 5.914 227 1HG GLU 28 HG2 GLU 28 10.728 1.175 7.680 228 2HG GLU 28 HG3 GLU 28 12.405 1.271 8.217 229 H GLU 29 HN GLU 29 11.384 -1.529 4.779 230 HA GLU 29 HA GLU 29 13.109 -1.713 2.512 231 1HB GLU 29 HB2 GLU 29 12.950 -3.317 4.414 232 2HB GLU 29 HB3 GLU 29 11.377 -3.794 3.749 233 1HG GLU 29 HG2 GLU 29 13.147 -5.337 3.068 234 2HG GLU 29 HG3 GLU 29 12.451 -4.497 1.685 235 H LEU 30 HN LEU 30 9.752 -2.877 3.017 236 HA LEU 30 HA LEU 30 9.255 -3.703 0.443 237 1HB LEU 30 HB2 LEU 30 6.923 -3.547 0.949 238 2HB LEU 30 HB3 LEU 30 7.758 -4.015 2.418 239 HG LEU 30 HG LEU 30 7.731 -1.443 2.891 240 1HD1 LEU 30 HD11 LEU 30 6.444 -0.135 1.638 241 2HD1 LEU 30 HD12 LEU 30 6.362 -1.465 0.484 242 3HD1 LEU 30 HD13 LEU 30 5.101 -1.277 1.703 243 1HD2 LEU 30 HD21 LEU 30 5.869 -1.742 4.276 244 2HD2 LEU 30 HD22 LEU 30 5.136 -2.911 3.180 245 3HD2 LEU 30 HD23 LEU 30 6.571 -3.348 4.106 246 H MET 31 HN MET 31 8.837 -0.445 1.795 247 HA MET 31 HA MET 31 7.885 0.746 -0.590 248 1HB MET 31 HB2 MET 31 8.007 1.672 1.891 249 2HB MET 31 HB3 MET 31 9.549 2.311 1.331 250 1HG MET 31 HG2 MET 31 8.389 3.473 -0.478 251 2HG MET 31 HG3 MET 31 6.853 2.877 0.141 252 1HE MET 31 HE1 MET 31 7.797 3.728 3.767 253 2HE MET 31 HE2 MET 31 6.225 4.409 3.353 254 3HE MET 31 HE3 MET 31 6.686 2.822 2.742 255 H ALA 32 HN ALA 32 11.052 -0.086 0.707 256 HA ALA 32 HA ALA 32 12.543 1.481 -1.165 257 1HB ALA 32 HB1 ALA 32 14.212 -0.574 -0.431 258 2HB ALA 32 HB2 ALA 32 14.029 0.967 0.407 259 3HB ALA 32 HB3 ALA 32 13.110 -0.441 0.940 260 H ALA 33 HN ALA 33 11.064 -1.675 -1.264 261 HA ALA 33 HA ALA 33 12.538 -2.709 -3.457 262 1HB ALA 33 HB1 ALA 33 11.215 -4.542 -3.283 263 2HB ALA 33 HB2 ALA 33 10.941 -3.841 -1.689 264 3HB ALA 33 HB3 ALA 33 9.755 -3.604 -2.972 265 H LEU 34 HN LEU 34 9.551 -0.869 -3.176 266 HA LEU 34 HA LEU 34 8.263 -1.071 -5.479 267 1HB LEU 34 HB2 LEU 34 9.021 1.388 -3.973 268 2HB LEU 34 HB3 LEU 34 8.153 1.548 -5.486 269 HG LEU 34 HG LEU 34 6.353 0.110 -4.581 270 1HD1 LEU 34 HD11 LEU 34 8.190 0.034 -2.244 271 2HD1 LEU 34 HD12 LEU 34 6.449 -0.054 -1.984 272 3HD1 LEU 34 HD13 LEU 34 7.255 -1.263 -2.981 273 1HD2 LEU 34 HD21 LEU 34 6.075 2.495 -4.415 274 2HD2 LEU 34 HD22 LEU 34 5.465 1.737 -2.947 275 3HD2 LEU 34 HD23 LEU 34 7.033 2.537 -2.936 276 HA PRO 35 HA PRO 35 10.604 -0.756 -9.144 277 1HB PRO 35 HB2 PRO 35 8.931 1.094 -10.481 278 2HB PRO 35 HB3 PRO 35 8.877 -0.666 -10.583 279 1HG PRO 35 HG2 PRO 35 7.245 1.187 -8.928 280 2HG PRO 35 HG3 PRO 35 6.796 -0.366 -9.654 281 1HD PRO 35 HD2 PRO 35 7.254 -0.155 -7.034 282 2HD PRO 35 HD3 PRO 35 7.780 -1.592 -7.939 283 H ASN 36 HN ASN 36 9.400 2.402 -7.971 284 HA ASN 36 HA ASN 36 11.422 3.848 -9.363 285 1HB ASN 36 HB2 ASN 36 10.610 5.808 -8.278 286 2HB ASN 36 HB3 ASN 36 9.213 4.813 -8.659 287 1HD2 ASN 36 HD21 ASN 36 10.050 3.026 -6.306 288 2HD2 ASN 36 HD22 ASN 36 9.475 3.871 -4.929 289 H GLY 37 HN GLY 37 11.425 2.115 -6.403 290 1HA GLY 37 HA1 GLY 37 13.575 1.607 -5.428 291 2HA GLY 37 HA2 GLY 37 14.077 3.245 -5.803 292 HA PRO 38 HA PRO 38 12.826 4.495 -1.763 293 1HB PRO 38 HB2 PRO 38 11.758 6.940 -2.050 294 2HB PRO 38 HB3 PRO 38 13.464 6.618 -2.385 295 1HG PRO 38 HG2 PRO 38 11.177 6.915 -4.292 296 2HG PRO 38 HG3 PRO 38 12.838 7.521 -4.426 297 1HD PRO 38 HD2 PRO 38 11.909 5.248 -5.669 298 2HD PRO 38 HD3 PRO 38 13.613 5.544 -5.281 299 H ASP 39 HN ASP 39 10.120 5.462 -3.864 300 HA ASP 39 HA ASP 39 8.184 3.858 -2.686 301 1HB ASP 39 HB2 ASP 39 6.953 5.587 -1.452 302 2HB ASP 39 HB3 ASP 39 8.524 5.273 -0.740 303 H THR 40 HN THR 40 7.626 3.627 -4.920 304 HA THR 40 HA THR 40 7.026 5.892 -6.539 305 HB THR 40 HB THR 40 7.709 3.731 -7.534 306 HG1 THR 40 HG1 THR 40 6.702 4.858 -9.062 307 1HG2 THR 40 HG21 THR 40 5.051 2.825 -6.451 308 2HG2 THR 40 HG22 THR 40 6.632 2.077 -6.247 309 3HG2 THR 40 HG23 THR 40 5.828 2.021 -7.812 310 H THR 41 HN THR 41 5.105 6.890 -6.958 311 HA THR 41 HA THR 41 2.912 6.257 -5.149 312 HB THR 41 HB THR 41 3.116 8.573 -7.077 313 HG1 THR 41 HG1 THR 41 3.896 9.744 -5.305 314 1HG2 THR 41 HG21 THR 41 1.182 7.734 -4.990 315 2HG2 THR 41 HG22 THR 41 0.916 8.629 -6.486 316 3HG2 THR 41 HG23 THR 41 1.572 9.452 -5.071 317 H CYS 42 HN CYS 42 1.149 5.201 -5.725 318 HA CYS 42 HA CYS 42 0.667 4.693 -8.576 319 1HB CYS 42 HB2 CYS 42 -0.507 3.311 -6.148 320 2HB CYS 42 HB3 CYS 42 -0.751 2.836 -7.826 321 HG CYS 42 HG CYS 42 1.076 1.152 -6.307 322 H LYS 43 HN LYS 43 0.054 7.209 -7.880 323 HA LYS 43 HA LYS 43 -2.629 7.522 -6.953 324 1HB LYS 43 HB2 LYS 43 -2.348 9.872 -7.505 325 2HB LYS 43 HB3 LYS 43 -0.933 9.279 -6.646 326 1HG LYS 43 HG2 LYS 43 0.299 9.127 -8.726 327 2HG LYS 43 HG3 LYS 43 -1.130 9.619 -9.634 328 1HD LYS 43 HD2 LYS 43 0.308 11.525 -9.387 329 2HD LYS 43 HD3 LYS 43 -1.119 11.766 -8.378 330 1HE LYS 43 HE2 LYS 43 0.829 12.439 -7.144 331 2HE LYS 43 HE3 LYS 43 0.182 10.962 -6.429 332 1HZ LYS 43 HZ1 LYS 43 1.877 9.775 -7.875 333 2HZ LYS 43 HZ2 LYS 43 2.475 10.630 -6.545 334 3HZ LYS 43 HZ3 LYS 43 2.600 11.287 -8.098 335 H SER 44 HN SER 44 -4.398 8.348 -8.113 336 HA SER 44 HA SER 44 -4.359 8.283 -11.013 337 1HB SER 44 HB2 SER 44 -6.170 6.453 -9.410 338 2HB SER 44 HB3 SER 44 -6.257 6.704 -11.154 339 HG SER 44 HG SER 44 -4.792 4.949 -9.881 340 H GLY 45 HN GLY 45 -5.613 9.900 -11.759 341 1HA GLY 45 HA1 GLY 45 -7.147 11.617 -11.779 342 2HA GLY 45 HA2 GLY 45 -8.121 10.631 -10.694 343 H ASP 46 HN ASP 46 -8.700 11.921 -9.038 344 HA ASP 46 HA ASP 46 -6.745 13.804 -7.952 345 1HB ASP 46 HB2 ASP 46 -8.641 14.714 -6.667 346 2HB ASP 46 HB3 ASP 46 -8.987 14.671 -8.394 347 H VAL 47 HN VAL 47 -6.567 10.865 -7.573 348 HA VAL 47 HA VAL 47 -6.568 10.845 -4.629 349 HB VAL 47 HB VAL 47 -7.191 8.481 -6.408 350 1HG1 VAL 47 HG11 VAL 47 -7.979 7.853 -3.855 351 2HG1 VAL 47 HG12 VAL 47 -6.491 7.314 -4.635 352 3HG1 VAL 47 HG13 VAL 47 -6.476 8.736 -3.591 353 1HG2 VAL 47 HG21 VAL 47 -9.447 8.657 -5.254 354 2HG2 VAL 47 HG22 VAL 47 -8.954 10.279 -4.766 355 3HG2 VAL 47 HG23 VAL 47 -9.088 9.876 -6.477 356 H GLU 48 HN GLU 48 -4.821 9.823 -3.626 357 HA GLU 48 HA GLU 48 -2.739 8.676 -5.332 358 1HB GLU 48 HB2 GLU 48 -2.047 10.736 -3.243 359 2HB GLU 48 HB3 GLU 48 -1.011 10.064 -4.496 360 1HG GLU 48 HG2 GLU 48 -2.233 11.242 -6.204 361 2HG GLU 48 HG3 GLU 48 -3.389 11.835 -5.012 362 H LEU 49 HN LEU 49 -2.019 6.837 -4.464 363 HA LEU 49 HA LEU 49 -1.917 6.554 -1.554 364 1HB LEU 49 HB2 LEU 49 -3.356 4.693 -3.434 365 2HB LEU 49 HB3 LEU 49 -2.810 4.184 -1.849 366 HG LEU 49 HG LEU 49 -5.131 4.724 -1.708 367 1HD1 LEU 49 HD11 LEU 49 -3.499 6.949 -0.494 368 2HD1 LEU 49 HD12 LEU 49 -5.118 6.456 0.004 369 3HD1 LEU 49 HD13 LEU 49 -3.760 5.350 0.203 370 1HD2 LEU 49 HD21 LEU 49 -5.025 7.564 -2.255 371 2HD2 LEU 49 HD22 LEU 49 -4.591 6.604 -3.670 372 3HD2 LEU 49 HD23 LEU 49 -6.135 6.336 -2.861 373 H LYS 50 HN LYS 50 -0.275 5.313 -0.808 374 HA LYS 50 HA LYS 50 1.157 3.417 -2.321 375 1HB LYS 50 HB2 LYS 50 3.265 4.648 -2.636 376 2HB LYS 50 HB3 LYS 50 1.952 5.357 -3.568 377 1HG LYS 50 HG2 LYS 50 1.685 7.099 -1.889 378 2HG LYS 50 HG3 LYS 50 2.976 6.374 -0.931 379 1HD LYS 50 HD2 LYS 50 4.588 6.832 -2.650 380 2HD LYS 50 HD3 LYS 50 3.321 7.379 -3.745 381 1HE LYS 50 HE2 LYS 50 2.844 9.265 -2.314 382 2HE LYS 50 HE3 LYS 50 4.013 8.696 -1.124 383 1HZ LYS 50 HZ1 LYS 50 4.574 10.491 -3.004 384 2HZ LYS 50 HZ2 LYS 50 5.035 9.079 -3.813 385 3HZ LYS 50 HZ3 LYS 50 5.735 9.466 -2.323 386 H ALA 51 HN ALA 51 3.302 2.891 -1.218 387 HA ALA 51 HA ALA 51 2.808 2.323 1.470 388 1HB ALA 51 HB1 ALA 51 4.315 0.859 0.614 389 2HB ALA 51 HB2 ALA 51 5.140 2.091 -0.341 390 3HB ALA 51 HB3 ALA 51 5.437 1.972 1.392 391 H SER 52 HN SER 52 4.393 5.068 -0.024 392 HA SER 52 HA SER 52 5.599 6.013 2.395 393 1HB SER 52 HB2 SER 52 6.573 6.609 0.255 394 2HB SER 52 HB3 SER 52 5.081 7.407 -0.237 395 HG SER 52 HG SER 52 6.539 8.183 2.059 396 H ASP 53 HN ASP 53 2.969 7.425 0.417 397 HA ASP 53 HA ASP 53 2.166 9.256 2.403 398 1HB ASP 53 HB2 ASP 53 0.713 8.195 -0.022 399 2HB ASP 53 HB3 ASP 53 0.116 9.514 0.978 400 H ALA 54 HN ALA 54 0.678 6.192 1.352 401 HA ALA 54 HA ALA 54 -1.307 6.303 3.425 402 1HB ALA 54 HB1 ALA 54 -2.057 4.173 2.565 403 2HB ALA 54 HB2 ALA 54 -1.755 5.288 1.233 404 3HB ALA 54 HB3 ALA 54 -0.591 4.016 1.600 405 H GLY 55 HN GLY 55 1.581 4.304 2.830 406 1HA GLY 55 HA1 GLY 55 1.443 2.501 4.873 407 2HA GLY 55 HA2 GLY 55 2.952 3.205 4.336 408 H GLN 56 HN GLN 56 2.004 5.919 5.235 409 HA GLN 56 HA GLN 56 3.308 6.240 7.580 410 1HB GLN 56 HB2 GLN 56 1.823 8.178 8.037 411 2HB GLN 56 HB3 GLN 56 2.411 8.133 6.378 412 1HG GLN 56 HG2 GLN 56 0.257 7.159 5.686 413 2HG GLN 56 HG3 GLN 56 -0.313 7.297 7.347 414 1HE2 GLN 56 HE21 GLN 56 -1.594 8.958 7.640 415 2HE2 GLN 56 HE22 GLN 56 -1.476 10.494 6.858 416 H VAL 57 HN VAL 57 -0.009 5.143 7.223 417 HA VAL 57 HA VAL 57 -0.719 5.220 9.941 418 HB VAL 57 HB VAL 57 -2.590 3.745 9.296 419 1HG1 VAL 57 HG11 VAL 57 -3.118 5.365 7.159 420 2HG1 VAL 57 HG12 VAL 57 -3.344 5.814 8.849 421 3HG1 VAL 57 HG13 VAL 57 -1.863 6.275 8.004 422 1HG2 VAL 57 HG21 VAL 57 -0.909 2.718 7.424 423 2HG2 VAL 57 HG22 VAL 57 -2.660 2.539 7.394 424 3HG2 VAL 57 HG23 VAL 57 -1.889 3.803 6.441 425 H LEU 58 HN LEU 58 0.989 2.797 8.061 426 HA LEU 58 HA LEU 58 0.630 0.645 9.872 427 1HB LEU 58 HB2 LEU 58 3.041 1.009 8.101 428 2HB LEU 58 HB3 LEU 58 2.318 -0.491 8.657 429 HG LEU 58 HG LEU 58 1.139 1.417 6.635 430 1HD1 LEU 58 HD11 LEU 58 3.025 -0.613 6.332 431 2HD1 LEU 58 HD12 LEU 58 1.499 -1.314 5.794 432 3HD1 LEU 58 HD13 LEU 58 2.091 0.178 5.063 433 1HD2 LEU 58 HD21 LEU 58 -0.040 -0.786 8.200 434 2HD2 LEU 58 HD22 LEU 58 -0.807 0.613 7.448 435 3HD2 LEU 58 HD23 LEU 58 -0.387 -0.794 6.471 436 H THR 59 HN THR 59 1.425 0.407 11.852 437 HA THR 59 HA THR 59 3.310 2.263 12.939 438 HB THR 59 HB THR 59 3.122 0.954 15.015 439 HG1 THR 59 HG1 THR 59 2.875 -1.123 13.991 440 1HG2 THR 59 HG21 THR 59 1.032 1.723 15.534 441 2HG2 THR 59 HG22 THR 59 0.316 1.107 14.045 442 3HG2 THR 59 HG23 THR 59 1.282 2.583 14.015 443 H ALA 60 HN ALA 60 5.333 1.722 13.947 444 HA ALA 60 HA ALA 60 7.149 0.429 12.328 445 1HB ALA 60 HB1 ALA 60 8.416 0.215 14.678 446 2HB ALA 60 HB2 ALA 60 8.256 1.739 13.805 447 3HB ALA 60 HB3 ALA 60 7.157 1.363 15.131 448 H ASP 61 HN ASP 61 5.366 -0.878 15.092 449 HA ASP 61 HA ASP 61 6.614 -3.353 15.310 450 1HB ASP 61 HB2 ASP 61 3.695 -2.687 15.759 451 2HB ASP 61 HB3 ASP 61 4.513 -4.132 16.348 452 H ASP 62 HN ASP 62 4.490 -2.149 12.878 453 HA ASP 62 HA ASP 62 3.487 -4.592 11.874 454 1HB ASP 62 HB2 ASP 62 3.934 -1.994 10.397 455 2HB ASP 62 HB3 ASP 62 2.890 -3.312 9.887 456 H PHE 63 HN PHE 63 6.660 -3.766 12.027 457 HA PHE 63 HA PHE 63 7.826 -3.932 9.616 458 1HB PHE 63 HB2 PHE 63 8.618 -4.635 12.288 459 2HB PHE 63 HB3 PHE 63 9.311 -5.778 11.141 460 HD1 PHE 63 HD1 PHE 63 8.723 -2.095 11.282 461 HD2 PHE 63 HD2 PHE 63 11.435 -5.270 10.469 462 HE1 PHE 63 HE1 PHE 63 10.463 -0.456 10.709 463 HE2 PHE 63 HE2 PHE 63 13.183 -3.637 9.897 464 HZ PHE 63 HZ PHE 63 12.720 -1.240 10.038 465 HA PRO 64 HA PRO 64 7.296 -8.631 9.146 466 1HB PRO 64 HB2 PRO 64 5.847 -9.844 11.265 467 2HB PRO 64 HB3 PRO 64 7.576 -9.963 10.944 468 1HG PRO 64 HG2 PRO 64 6.404 -8.705 13.145 469 2HG PRO 64 HG3 PRO 64 8.079 -8.510 12.605 470 1HD PRO 64 HD2 PRO 64 5.725 -6.734 12.172 471 2HD PRO 64 HD3 PRO 64 7.436 -6.315 12.391 472 H PHE 65 HN PHE 65 5.772 -7.434 7.725 473 HA PHE 65 HA PHE 65 2.962 -7.526 8.285 474 1HB PHE 65 HB2 PHE 65 4.690 -6.408 6.258 475 2HB PHE 65 HB3 PHE 65 3.313 -7.221 5.522 476 HD1 PHE 65 HD1 PHE 65 4.395 -4.379 7.549 477 HD2 PHE 65 HD2 PHE 65 1.072 -6.461 5.924 478 HE1 PHE 65 HE1 PHE 65 2.954 -2.439 8.003 479 HE2 PHE 65 HE2 PHE 65 -0.374 -4.541 6.363 480 HZ PHE 65 HZ PHE 65 0.564 -2.515 7.409 481 H LYS 66 HN LYS 66 1.431 -8.908 7.493 482 HA LYS 66 HA LYS 66 2.241 -11.550 6.838 483 1HB LYS 66 HB2 LYS 66 -0.441 -10.195 6.909 484 2HB LYS 66 HB3 LYS 66 -0.263 -11.856 6.378 485 1HG LYS 66 HG2 LYS 66 -0.912 -11.793 8.697 486 2HG LYS 66 HG3 LYS 66 0.725 -12.428 8.552 487 1HD LYS 66 HD2 LYS 66 0.610 -10.891 10.412 488 2HD LYS 66 HD3 LYS 66 1.610 -10.197 9.137 489 1HE LYS 66 HE2 LYS 66 0.135 -8.509 10.064 490 2HE LYS 66 HE3 LYS 66 -0.304 -8.848 8.391 491 1HZ LYS 66 HZ1 LYS 66 -1.905 -9.030 10.694 492 2HZ LYS 66 HZ2 LYS 66 -1.778 -10.573 10.010 493 3HZ LYS 66 HZ3 LYS 66 -2.348 -9.281 9.080 494 H SER 67 HN SER 67 3.601 -10.683 5.024 495 HA SER 67 HA SER 67 4.081 -10.638 2.825 496 1HB SER 67 HB2 SER 67 1.386 -11.927 2.432 497 2HB SER 67 HB3 SER 67 2.755 -11.968 1.321 498 HG SER 67 HG SER 67 2.274 -13.461 3.570 499 H ALA 68 HN ALA 68 3.586 -9.668 0.766 500 HA ALA 68 HA ALA 68 2.725 -7.060 0.924 501 1HB ALA 68 HB1 ALA 68 2.425 -7.416 -1.669 502 2HB ALA 68 HB2 ALA 68 4.020 -7.440 -0.912 503 3HB ALA 68 HB3 ALA 68 3.208 -8.955 -1.307 504 H GLU 69 HN GLU 69 0.832 -9.928 0.250 505 HA GLU 69 HA GLU 69 -1.441 -8.701 -0.806 506 1HB GLU 69 HB2 GLU 69 -2.660 -10.718 -0.020 507 2HB GLU 69 HB3 GLU 69 -1.200 -11.087 -0.928 508 1HG GLU 69 HG2 GLU 69 -0.027 -11.439 1.200 509 2HG GLU 69 HG3 GLU 69 -1.546 -11.154 2.044 510 H GLU 70 HN GLU 70 -0.627 -9.403 2.628 511 HA GLU 70 HA GLU 70 -3.074 -8.339 3.568 512 1HB GLU 70 HB2 GLU 70 -2.413 -9.112 5.550 513 2HB GLU 70 HB3 GLU 70 -1.049 -9.793 4.688 514 1HG GLU 70 HG2 GLU 70 0.051 -8.704 6.337 515 2HG GLU 70 HG3 GLU 70 -0.024 -7.424 5.140 516 H VAL 71 HN VAL 71 0.035 -6.966 2.826 517 HA VAL 71 HA VAL 71 -0.342 -4.459 4.097 518 HB VAL 71 HB VAL 71 1.301 -5.088 1.644 519 1HG1 VAL 71 HG11 VAL 71 2.592 -3.043 2.733 520 2HG1 VAL 71 HG12 VAL 71 1.282 -2.809 1.575 521 3HG1 VAL 71 HG13 VAL 71 0.969 -2.648 3.303 522 1HG2 VAL 71 HG21 VAL 71 1.682 -6.245 3.984 523 2HG2 VAL 71 HG22 VAL 71 3.023 -5.695 2.991 524 3HG2 VAL 71 HG23 VAL 71 2.477 -4.711 4.339 525 H ALA 72 HN ALA 72 -1.022 -5.599 0.803 526 HA ALA 72 HA ALA 72 -1.856 -3.201 -0.321 527 1HB ALA 72 HB1 ALA 72 -2.068 -4.555 -2.069 528 2HB ALA 72 HB2 ALA 72 -1.944 -5.961 -1.013 529 3HB ALA 72 HB3 ALA 72 -3.521 -5.250 -1.351 530 H ASP 73 HN ASP 73 -3.799 -5.660 1.364 531 HA ASP 73 HA ASP 73 -6.228 -4.194 1.201 532 1HB ASP 73 HB2 ASP 73 -5.426 -6.415 3.092 533 2HB ASP 73 HB3 ASP 73 -7.069 -5.822 2.857 534 H THR 74 HN THR 74 -3.719 -4.468 3.669 535 HA THR 74 HA THR 74 -5.043 -3.097 5.730 536 HB THR 74 HB THR 74 -2.077 -3.324 5.195 537 HG1 THR 74 HG1 THR 74 -3.386 -5.298 5.530 538 1HG2 THR 74 HG21 THR 74 -3.520 -2.627 7.756 539 2HG2 THR 74 HG22 THR 74 -2.595 -1.501 6.764 540 3HG2 THR 74 HG23 THR 74 -1.780 -2.843 7.566 541 H ILE 75 HN ILE 75 -2.630 -1.870 3.401 542 HA ILE 75 HA ILE 75 -2.629 0.774 4.289 543 HB ILE 75 HB ILE 75 -2.070 -0.288 1.519 544 1HG1 ILE 75 HG12 ILE 75 -0.242 0.347 3.845 545 2HG1 ILE 75 HG13 ILE 75 -0.625 -1.260 3.234 546 1HG2 ILE 75 HG21 ILE 75 -0.874 1.778 1.111 547 2HG2 ILE 75 HG22 ILE 75 -2.549 2.133 1.529 548 3HG2 ILE 75 HG23 ILE 75 -1.276 2.358 2.727 549 1HD1 ILE 75 HD11 ILE 75 0.490 -0.756 1.145 550 2HD1 ILE 75 HD12 ILE 75 0.821 0.885 1.699 551 3HD1 ILE 75 HD13 ILE 75 1.577 -0.486 2.508 552 H VAL 76 HN VAL 76 -4.441 -0.646 1.550 553 HA VAL 76 HA VAL 76 -5.767 1.686 0.801 554 HB VAL 76 HB VAL 76 -7.506 0.157 -0.185 555 1HG1 VAL 76 HG11 VAL 76 -4.603 -0.406 -0.773 556 2HG1 VAL 76 HG12 VAL 76 -5.950 -0.811 -1.838 557 3HG1 VAL 76 HG13 VAL 76 -5.592 0.878 -1.472 558 1HG2 VAL 76 HG21 VAL 76 -7.705 -1.820 0.862 559 2HG2 VAL 76 HG22 VAL 76 -6.338 -2.304 -0.144 560 3HG2 VAL 76 HG23 VAL 76 -6.067 -1.751 1.508 561 H ASN 77 HN ASN 77 -6.690 -0.762 3.195 562 HA ASN 77 HA ASN 77 -9.262 0.229 3.742 563 1HB ASN 77 HB2 ASN 77 -7.322 -1.293 5.490 564 2HB ASN 77 HB3 ASN 77 -8.985 -0.948 5.951 565 1HD2 ASN 77 HD21 ASN 77 -9.048 -1.375 2.681 566 2HD2 ASN 77 HD22 ASN 77 -9.409 -3.060 2.626 567 H LYS 78 HN LYS 78 -6.181 0.839 5.422 568 HA LYS 78 HA LYS 78 -7.293 2.744 7.215 569 1HB LYS 78 HB2 LYS 78 -4.422 2.241 6.429 570 2HB LYS 78 HB3 LYS 78 -4.943 3.215 7.798 571 1HG LYS 78 HG2 LYS 78 -5.981 1.246 8.807 572 2HG LYS 78 HG3 LYS 78 -5.459 0.269 7.434 573 1HD LYS 78 HD2 LYS 78 -3.128 0.733 7.978 574 2HD LYS 78 HD3 LYS 78 -3.634 1.748 9.330 575 1HE LYS 78 HE2 LYS 78 -4.165 -1.207 9.028 576 2HE LYS 78 HE3 LYS 78 -2.961 -0.474 10.088 577 1HZ LYS 78 HZ1 LYS 78 -5.903 -0.116 10.281 578 2HZ LYS 78 HZ2 LYS 78 -4.764 0.636 11.278 579 3HZ LYS 78 HZ3 LYS 78 -4.942 -1.045 11.319 580 H ALA 79 HN ALA 79 -5.466 3.010 4.193 581 HA ALA 79 HA ALA 79 -5.200 5.825 4.247 582 1HB ALA 79 HB1 ALA 79 -4.222 5.641 2.178 583 2HB ALA 79 HB2 ALA 79 -3.992 4.009 2.804 584 3HB ALA 79 HB3 ALA 79 -5.296 4.340 1.663 585 H GLY 80 HN GLY 80 -7.765 3.711 3.143 586 1HA GLY 80 HA1 GLY 80 -9.867 5.360 3.272 587 2HA GLY 80 HA2 GLY 80 -9.125 5.881 1.764 588 H LEU 81 HN LEU 81 -8.395 3.753 0.477 589 HA LEU 81 HA LEU 81 -10.837 2.609 -0.413 590 1HB LEU 81 HB2 LEU 81 -8.033 1.745 -1.102 591 2HB LEU 81 HB3 LEU 81 -9.488 1.483 -2.050 592 HG LEU 81 HG LEU 81 -8.425 4.240 -1.440 593 1HD1 LEU 81 HD11 LEU 81 -7.565 4.152 -3.805 594 2HD1 LEU 81 HD12 LEU 81 -6.669 3.180 -2.638 595 3HD1 LEU 81 HD13 LEU 81 -7.799 2.405 -3.748 596 1HD2 LEU 81 HD21 LEU 81 -9.742 4.432 -3.764 597 2HD2 LEU 81 HD22 LEU 81 -10.633 3.095 -3.038 598 3HD2 LEU 81 HD23 LEU 81 -10.519 4.640 -2.195 Start of MODEL 5 1 1H GLY -3 HT1 GLY -3 -22.747 -6.441 3.940 2 2H GLY -3 HT2 GLY -3 -22.890 -6.472 5.625 3 3H GLY -3 HT3 GLY -3 -21.370 -6.636 4.903 4 1HA GLY -3 HA2 GLY -3 -22.919 -4.250 5.448 5 2HA GLY -3 HA1 GLY -3 -21.176 -4.460 5.364 6 H SER -2 HN SER -2 -23.344 -2.615 4.098 7 HA SER -2 HA SER -2 -22.975 -3.018 1.275 8 1HB SER -2 HB2 SER -2 -24.226 -0.897 1.048 9 2HB SER -2 HB3 SER -2 -25.051 -2.036 2.111 10 HG SER -2 HG SER -2 -24.301 -0.874 3.880 11 H HIS -1 HN HIS -1 -20.467 -2.947 2.187 12 HA HIS -1 HA HIS -1 -19.203 -0.491 2.484 13 1HB HIS -1 HB2 HIS -1 -17.142 -1.629 1.856 14 2HB HIS -1 HB3 HIS -1 -18.105 -2.658 2.909 15 HD1 HIS -1 HD1 HIS -1 -19.765 -4.352 1.296 16 HD2 HIS -1 HD2 HIS -1 -16.103 -3.049 -0.170 17 HE1 HIS -1 HE1 HIS -1 -19.158 -5.970 -0.526 18 HE2 HIS -1 HE2 HIS -1 -16.893 -5.220 -1.330 19 H MET 1 HN MET 1 -19.784 -2.357 -0.490 20 HA MET 1 HA MET 1 -19.693 -1.786 -2.692 21 1HB MET 1 HB2 MET 1 -20.586 0.874 -1.568 22 2HB MET 1 HB3 MET 1 -20.682 0.408 -3.261 23 1HG MET 1 HG2 MET 1 -22.208 -1.407 -2.672 24 2HG MET 1 HG3 MET 1 -22.115 -0.931 -0.978 25 1HE MET 1 HE1 MET 1 -24.928 -0.576 -0.831 26 2HE MET 1 HE2 MET 1 -25.736 0.034 -2.274 27 3HE MET 1 HE3 MET 1 -24.715 -1.401 -2.376 28 H LYS 2 HN LYS 2 -17.195 -1.799 -1.656 29 HA LYS 2 HA LYS 2 -15.846 0.685 -2.309 30 1HB LYS 2 HB2 LYS 2 -14.780 -1.996 -1.418 31 2HB LYS 2 HB3 LYS 2 -13.795 -0.562 -1.659 32 1HG LYS 2 HG2 LYS 2 -16.027 -0.854 0.341 33 2HG LYS 2 HG3 LYS 2 -14.300 -0.915 0.696 34 1HD LYS 2 HD2 LYS 2 -15.765 1.453 -0.469 35 2HD LYS 2 HD3 LYS 2 -15.280 1.280 1.218 36 1HE LYS 2 HE2 LYS 2 -12.928 1.150 0.507 37 2HE LYS 2 HE3 LYS 2 -13.433 1.375 -1.167 38 1HZ LYS 2 HZ1 LYS 2 -14.522 3.505 -0.273 39 2HZ LYS 2 HZ2 LYS 2 -12.845 3.490 -0.499 40 3HZ LYS 2 HZ3 LYS 2 -13.490 3.310 1.055 41 H MET 3 HN MET 3 -17.214 -0.555 -4.496 42 HA MET 3 HA MET 3 -15.296 -1.936 -6.122 43 1HB MET 3 HB2 MET 3 -16.996 -1.789 -7.885 44 2HB MET 3 HB3 MET 3 -17.683 -2.383 -6.380 45 1HG MET 3 HG2 MET 3 -18.596 -0.171 -5.915 46 2HG MET 3 HG3 MET 3 -17.896 0.436 -7.415 47 1HE MET 3 HE1 MET 3 -19.900 -1.383 -10.157 48 2HE MET 3 HE2 MET 3 -18.426 -0.519 -9.721 49 3HE MET 3 HE3 MET 3 -18.566 -2.246 -9.390 50 H GLY 4 HN GLY 4 -13.813 -1.106 -7.409 51 1HA GLY 4 HA1 GLY 4 -13.892 0.957 -9.137 52 2HA GLY 4 HA2 GLY 4 -13.555 1.768 -7.613 53 H VAL 5 HN VAL 5 -11.499 2.407 -7.912 54 HA VAL 5 HA VAL 5 -9.524 0.692 -9.082 55 HB VAL 5 HB VAL 5 -9.556 3.263 -9.114 56 1HG1 VAL 5 HG11 VAL 5 -7.900 2.918 -6.633 57 2HG1 VAL 5 HG12 VAL 5 -8.445 4.427 -7.379 58 3HG1 VAL 5 HG13 VAL 5 -9.608 3.372 -6.573 59 1HG2 VAL 5 HG21 VAL 5 -7.067 3.373 -9.201 60 2HG2 VAL 5 HG22 VAL 5 -7.053 1.691 -8.682 61 3HG2 VAL 5 HG23 VAL 5 -7.810 2.137 -10.212 62 H LYS 6 HN LYS 6 -10.894 0.740 -6.022 63 HA LYS 6 HA LYS 6 -8.844 0.593 -4.226 64 1HB LYS 6 HB2 LYS 6 -11.242 0.288 -3.657 65 2HB LYS 6 HB3 LYS 6 -11.190 -1.322 -4.355 66 1HG LYS 6 HG2 LYS 6 -9.430 -0.500 -2.064 67 2HG LYS 6 HG3 LYS 6 -11.053 -1.150 -1.833 68 1HD LYS 6 HD2 LYS 6 -10.336 -3.158 -3.154 69 2HD LYS 6 HD3 LYS 6 -8.694 -2.516 -3.122 70 1HE LYS 6 HE2 LYS 6 -8.721 -2.555 -0.680 71 2HE LYS 6 HE3 LYS 6 -10.363 -3.196 -0.707 72 1HZ LYS 6 HZ1 LYS 6 -9.639 -5.245 -1.195 73 2HZ LYS 6 HZ2 LYS 6 -8.154 -4.703 -0.593 74 3HZ LYS 6 HZ3 LYS 6 -8.441 -4.701 -2.260 75 H GLU 7 HN GLU 7 -9.964 -1.967 -6.394 76 HA GLU 7 HA GLU 7 -7.824 -3.744 -5.650 77 1HB GLU 7 HB2 GLU 7 -9.977 -4.654 -6.378 78 2HB GLU 7 HB3 GLU 7 -9.798 -3.872 -7.942 79 1HG GLU 7 HG2 GLU 7 -7.839 -5.254 -8.410 80 2HG GLU 7 HG3 GLU 7 -8.023 -6.041 -6.842 81 H ASP 8 HN ASP 8 -8.450 -1.390 -8.196 82 HA ASP 8 HA ASP 8 -6.413 -2.155 -9.953 83 1HB ASP 8 HB2 ASP 8 -7.976 0.311 -9.575 84 2HB ASP 8 HB3 ASP 8 -6.609 0.330 -10.680 85 H ILE 9 HN ILE 9 -6.362 0.420 -7.502 86 HA ILE 9 HA ILE 9 -3.636 1.076 -7.880 87 HB ILE 9 HB ILE 9 -5.597 1.629 -5.655 88 1HG1 ILE 9 HG12 ILE 9 -4.146 3.417 -7.616 89 2HG1 ILE 9 HG13 ILE 9 -5.823 2.906 -7.735 90 1HG2 ILE 9 HG21 ILE 9 -3.849 1.775 -4.250 91 2HG2 ILE 9 HG22 ILE 9 -2.669 1.811 -5.560 92 3HG2 ILE 9 HG23 ILE 9 -3.511 3.287 -5.091 93 1HD1 ILE 9 HD11 ILE 9 -4.649 5.068 -6.221 94 2HD1 ILE 9 HD12 ILE 9 -6.329 4.785 -6.676 95 3HD1 ILE 9 HD13 ILE 9 -5.669 4.030 -5.225 96 H ARG 10 HN ARG 10 -5.390 -0.958 -5.559 97 HA ARG 10 HA ARG 10 -3.220 -1.819 -4.017 98 1HB ARG 10 HB2 ARG 10 -5.760 -2.304 -3.713 99 2HB ARG 10 HB3 ARG 10 -5.496 -3.637 -4.822 100 1HG ARG 10 HG2 ARG 10 -3.717 -4.460 -3.251 101 2HG ARG 10 HG3 ARG 10 -4.278 -3.240 -2.105 102 1HD ARG 10 HD2 ARG 10 -5.295 -5.408 -1.647 103 2HD ARG 10 HD3 ARG 10 -6.508 -4.226 -2.134 104 HE ARG 10 HE ARG 10 -5.706 -5.585 -4.424 105 1HH1 ARG 10 HH12 ARG 10 -7.314 -6.302 -1.410 106 2HH1 ARG 10 HH11 ARG 10 -8.262 -7.588 -2.079 107 1HH2 ARG 10 HH22 ARG 10 -6.952 -7.274 -5.304 108 2HH2 ARG 10 HH21 ARG 10 -8.055 -8.142 -4.288 109 H GLY 11 HN GLY 11 -4.304 -2.649 -7.215 110 1HA GLY 11 HA1 GLY 11 -2.809 -5.051 -7.538 111 2HA GLY 11 HA2 GLY 11 -3.395 -4.015 -8.840 112 H GLN 12 HN GLN 12 -2.181 -1.657 -8.154 113 HA GLN 12 HA GLN 12 0.429 -2.005 -9.223 114 1HB GLN 12 HB2 GLN 12 -0.818 0.416 -7.905 115 2HB GLN 12 HB3 GLN 12 0.645 0.418 -8.873 116 1HG GLN 12 HG2 GLN 12 -0.652 -0.299 -10.822 117 2HG GLN 12 HG3 GLN 12 -2.117 -0.263 -9.842 118 1HE2 GLN 12 HE21 GLN 12 -3.291 1.474 -10.143 119 2HE2 GLN 12 HE22 GLN 12 -2.707 3.053 -10.532 120 H ILE 13 HN ILE 13 -0.913 -1.690 -6.019 121 HA ILE 13 HA ILE 13 1.519 -1.096 -4.667 122 HB ILE 13 HB ILE 13 -1.059 -2.245 -3.597 123 1HG1 ILE 13 HG12 ILE 13 0.020 0.582 -3.606 124 2HG1 ILE 13 HG13 ILE 13 -1.311 -0.015 -4.590 125 1HG2 ILE 13 HG21 ILE 13 -0.238 -1.497 -1.395 126 2HG2 ILE 13 HG22 ILE 13 0.768 -2.762 -2.097 127 3HG2 ILE 13 HG23 ILE 13 1.309 -1.084 -2.133 128 1HD1 ILE 13 HD11 ILE 13 -1.285 0.889 -1.833 129 2HD1 ILE 13 HD12 ILE 13 -2.628 0.739 -2.967 130 3HD1 ILE 13 HD13 ILE 13 -2.094 -0.664 -2.043 131 H ILE 14 HN ILE 14 -0.323 -4.085 -5.203 132 HA ILE 14 HA ILE 14 1.299 -5.791 -3.697 133 HB ILE 14 HB ILE 14 -0.506 -6.241 -6.051 134 1HG1 ILE 14 HG12 ILE 14 -1.546 -5.827 -3.884 135 2HG1 ILE 14 HG13 ILE 14 -1.816 -7.497 -4.369 136 1HG2 ILE 14 HG21 ILE 14 1.210 -7.887 -6.383 137 2HG2 ILE 14 HG22 ILE 14 1.185 -8.328 -4.675 138 3HG2 ILE 14 HG23 ILE 14 -0.203 -8.695 -5.702 139 1HD1 ILE 14 HD11 ILE 14 -1.293 -7.628 -2.118 140 2HD1 ILE 14 HD12 ILE 14 0.217 -8.045 -2.925 141 3HD1 ILE 14 HD13 ILE 14 -0.005 -6.434 -2.244 142 H GLY 15 HN GLY 15 1.429 -5.051 -7.188 143 1HA GLY 15 HA1 GLY 15 3.789 -6.555 -7.674 144 2HA GLY 15 HA2 GLY 15 3.152 -5.274 -8.704 145 H ALA 16 HN ALA 16 3.148 -3.247 -6.741 146 HA ALA 16 HA ALA 16 5.723 -2.171 -7.029 147 1HB ALA 16 HB1 ALA 16 4.787 -0.629 -5.102 148 2HB ALA 16 HB2 ALA 16 4.126 -0.545 -6.735 149 3HB ALA 16 HB3 ALA 16 3.273 -1.452 -5.482 150 H LEU 17 HN LEU 17 4.288 -4.166 -4.583 151 HA LEU 17 HA LEU 17 6.344 -3.704 -2.620 152 1HB LEU 17 HB2 LEU 17 3.958 -5.531 -2.781 153 2HB LEU 17 HB3 LEU 17 5.102 -5.603 -1.460 154 HG LEU 17 HG LEU 17 3.668 -3.055 -2.164 155 1HD1 LEU 17 HD11 LEU 17 2.708 -5.369 -0.526 156 2HD1 LEU 17 HD12 LEU 17 2.205 -3.722 -0.149 157 3HD1 LEU 17 HD13 LEU 17 1.841 -4.418 -1.728 158 1HD2 LEU 17 HD21 LEU 17 4.598 -2.200 -0.306 159 2HD2 LEU 17 HD22 LEU 17 4.416 -3.698 0.607 160 3HD2 LEU 17 HD23 LEU 17 5.767 -3.504 -0.510 161 H ALA 18 HN ALA 18 5.576 -5.990 -5.117 162 HA ALA 18 HA ALA 18 7.149 -8.162 -4.318 163 1HB ALA 18 HB1 ALA 18 7.178 -8.788 -6.704 164 2HB ALA 18 HB2 ALA 18 5.568 -8.346 -6.138 165 3HB ALA 18 HB3 ALA 18 6.505 -7.208 -7.106 166 H GLY 19 HN GLY 19 9.283 -8.440 -4.138 167 1HA GLY 19 HA1 GLY 19 11.439 -8.180 -5.390 168 2HA GLY 19 HA2 GLY 19 11.036 -6.473 -5.479 169 H ALA 20 HN ALA 20 10.009 -6.298 -2.778 170 HA ALA 20 HA ALA 20 12.266 -5.489 -1.393 171 1HB ALA 20 HB1 ALA 20 9.656 -5.245 -0.944 172 2HB ALA 20 HB2 ALA 20 10.007 -6.528 0.214 173 3HB ALA 20 HB3 ALA 20 10.861 -4.989 0.317 174 H ASP 21 HN ASP 21 12.498 -6.469 1.025 175 HA ASP 21 HA ASP 21 14.009 -8.841 0.742 176 1HB ASP 21 HB2 ASP 21 13.087 -7.117 3.000 177 2HB ASP 21 HB3 ASP 21 13.643 -8.744 3.401 178 H PHE 22 HN PHE 22 12.155 -9.490 3.491 179 HA PHE 22 HA PHE 22 10.979 -11.785 2.346 180 1HB PHE 22 HB2 PHE 22 9.906 -12.134 4.440 181 2HB PHE 22 HB3 PHE 22 11.407 -11.330 4.847 182 HD1 PHE 22 HD1 PHE 22 11.195 -9.923 6.615 183 HD2 PHE 22 HD2 PHE 22 7.977 -10.152 3.847 184 HE1 PHE 22 HE1 PHE 22 9.961 -8.218 7.884 185 HE2 PHE 22 HE2 PHE 22 6.753 -8.419 5.072 186 HZ PHE 22 HZ PHE 22 7.746 -7.483 7.123 187 HA PRO 23 HA PRO 23 7.305 -10.205 0.540 188 1HB PRO 23 HB2 PRO 23 5.138 -11.212 1.833 189 2HB PRO 23 HB3 PRO 23 6.130 -12.160 0.727 190 1HG PRO 23 HG2 PRO 23 6.203 -12.055 3.718 191 2HG PRO 23 HG3 PRO 23 6.280 -13.467 2.645 192 1HD PRO 23 HD2 PRO 23 8.482 -12.414 3.768 193 2HD PRO 23 HD3 PRO 23 8.517 -13.115 2.140 194 H ILE 24 HN ILE 24 8.236 -8.158 1.764 195 HA ILE 24 HA ILE 24 7.240 -6.055 2.140 196 HB ILE 24 HB ILE 24 5.269 -7.530 3.858 197 1HG1 ILE 24 HG12 ILE 24 4.915 -7.953 1.505 198 2HG1 ILE 24 HG13 ILE 24 3.696 -6.804 2.047 199 1HG2 ILE 24 HG21 ILE 24 4.503 -4.863 3.138 200 2HG2 ILE 24 HG22 ILE 24 4.638 -5.592 4.733 201 3HG2 ILE 24 HG23 ILE 24 6.044 -4.847 3.990 202 1HD1 ILE 24 HD11 ILE 24 5.837 -6.505 0.101 203 2HD1 ILE 24 HD12 ILE 24 4.315 -5.632 0.265 204 3HD1 ILE 24 HD13 ILE 24 5.708 -5.164 1.237 205 H ASN 25 HN ASN 25 9.530 -6.400 3.143 206 HA ASN 25 HA ASN 25 9.836 -6.596 5.952 207 1HB ASN 25 HB2 ASN 25 11.487 -5.646 3.679 208 2HB ASN 25 HB3 ASN 25 11.960 -5.125 5.298 209 1HD2 ASN 25 HD21 ASN 25 13.431 -6.327 6.171 210 2HD2 ASN 25 HD22 ASN 25 13.611 -8.038 5.987 211 H SER 26 HN SER 26 7.818 -5.098 6.284 212 HA SER 26 HA SER 26 6.985 -3.122 7.054 213 1HB SER 26 HB2 SER 26 8.425 -1.755 8.410 214 2HB SER 26 HB3 SER 26 8.934 -3.426 8.643 215 HG SER 26 HG SER 26 10.486 -1.503 8.020 216 HA PRO 27 HA PRO 27 6.940 -0.232 3.830 217 1HB PRO 27 HB2 PRO 27 7.328 1.976 5.786 218 2HB PRO 27 HB3 PRO 27 6.078 1.777 4.553 219 1HG PRO 27 HG2 PRO 27 5.545 1.328 7.133 220 2HG PRO 27 HG3 PRO 27 4.831 0.322 5.859 221 1HD PRO 27 HD2 PRO 27 7.059 -0.301 7.738 222 2HD PRO 27 HD3 PRO 27 5.819 -1.372 7.053 223 H GLU 28 HN GLU 28 9.518 0.295 6.192 224 HA GLU 28 HA GLU 28 11.136 1.982 4.711 225 1HB GLU 28 HB2 GLU 28 12.069 -0.369 6.380 226 2HB GLU 28 HB3 GLU 28 13.025 1.042 5.940 227 1HG GLU 28 HG2 GLU 28 11.527 2.468 7.239 228 2HG GLU 28 HG3 GLU 28 10.569 1.055 7.682 229 H GLU 29 HN GLU 29 11.283 -1.578 4.753 230 HA GLU 29 HA GLU 29 13.034 -1.721 2.508 231 1HB GLU 29 HB2 GLU 29 12.879 -3.353 4.374 232 2HB GLU 29 HB3 GLU 29 11.306 -3.828 3.704 233 1HG GLU 29 HG2 GLU 29 13.137 -5.330 3.015 234 2HG GLU 29 HG3 GLU 29 12.350 -4.533 1.656 235 H LEU 30 HN LEU 30 9.674 -2.896 2.944 236 HA LEU 30 HA LEU 30 9.225 -3.708 0.358 237 1HB LEU 30 HB2 LEU 30 6.891 -3.561 0.819 238 2HB LEU 30 HB3 LEU 30 7.687 -4.000 2.318 239 HG LEU 30 HG LEU 30 7.638 -1.430 2.761 240 1HD1 LEU 30 HD11 LEU 30 6.429 -0.129 1.432 241 2HD1 LEU 30 HD12 LEU 30 6.350 -1.479 0.301 242 3HD1 LEU 30 HD13 LEU 30 5.060 -1.242 1.482 243 1HD2 LEU 30 HD21 LEU 30 6.495 -3.103 4.109 244 2HD2 LEU 30 HD22 LEU 30 5.497 -1.666 3.894 245 3HD2 LEU 30 HD23 LEU 30 5.159 -3.120 2.958 246 H MET 31 HN MET 31 8.839 -0.454 1.720 247 HA MET 31 HA MET 31 7.922 0.779 -0.658 248 1HB MET 31 HB2 MET 31 8.077 1.676 1.838 249 2HB MET 31 HB3 MET 31 9.620 2.300 1.265 250 1HG MET 31 HG2 MET 31 8.413 3.453 -0.554 251 2HG MET 31 HG3 MET 31 6.897 2.927 0.170 252 1HE MET 31 HE1 MET 31 6.176 4.287 3.021 253 2HE MET 31 HE2 MET 31 7.244 2.888 2.942 254 3HE MET 31 HE3 MET 31 7.744 4.328 3.825 255 H ALA 32 HN ALA 32 11.074 -0.111 0.652 256 HA ALA 32 HA ALA 32 12.595 1.436 -1.212 257 1HB ALA 32 HB1 ALA 32 14.217 -0.666 -0.473 258 2HB ALA 32 HB2 ALA 32 14.083 0.891 0.344 259 3HB ALA 32 HB3 ALA 32 13.123 -0.481 0.899 260 H ALA 33 HN ALA 33 11.091 -1.707 -1.315 261 HA ALA 33 HA ALA 33 12.542 -2.763 -3.506 262 1HB ALA 33 HB1 ALA 33 11.078 -4.539 -3.440 263 2HB ALA 33 HB2 ALA 33 11.019 -3.937 -1.785 264 3HB ALA 33 HB3 ALA 33 9.724 -3.543 -2.910 265 H LEU 34 HN LEU 34 9.582 -0.872 -3.247 266 HA LEU 34 HA LEU 34 8.314 -1.046 -5.563 267 1HB LEU 34 HB2 LEU 34 9.099 1.398 -4.045 268 2HB LEU 34 HB3 LEU 34 8.245 1.575 -5.565 269 HG LEU 34 HG LEU 34 6.412 0.171 -4.681 270 1HD1 LEU 34 HD11 LEU 34 7.313 -1.237 -3.096 271 2HD1 LEU 34 HD12 LEU 34 8.218 0.056 -2.314 272 3HD1 LEU 34 HD13 LEU 34 6.471 -0.051 -2.100 273 1HD2 LEU 34 HD21 LEU 34 7.129 2.564 -3.002 274 2HD2 LEU 34 HD22 LEU 34 6.181 2.560 -4.487 275 3HD2 LEU 34 HD23 LEU 34 5.546 1.795 -3.033 276 HA PRO 35 HA PRO 35 10.705 -0.774 -9.200 277 1HB PRO 35 HB2 PRO 35 9.061 1.084 -10.564 278 2HB PRO 35 HB3 PRO 35 8.993 -0.677 -10.658 279 1HG PRO 35 HG2 PRO 35 7.360 1.199 -9.028 280 2HG PRO 35 HG3 PRO 35 6.904 -0.353 -9.754 281 1HD PRO 35 HD2 PRO 35 7.336 -0.135 -7.129 282 2HD PRO 35 HD3 PRO 35 7.860 -1.580 -8.023 283 H ASN 36 HN ASN 36 9.517 2.395 -8.041 284 HA ASN 36 HA ASN 36 11.559 3.825 -9.419 285 1HB ASN 36 HB2 ASN 36 10.757 5.791 -8.335 286 2HB ASN 36 HB3 ASN 36 9.355 4.809 -8.731 287 1HD2 ASN 36 HD21 ASN 36 10.169 3.011 -6.372 288 2HD2 ASN 36 HD22 ASN 36 9.586 3.857 -4.999 289 H GLY 37 HN GLY 37 11.528 2.087 -6.463 290 1HA GLY 37 HA1 GLY 37 13.661 1.555 -5.469 291 2HA GLY 37 HA2 GLY 37 14.188 3.186 -5.845 292 HA PRO 38 HA PRO 38 12.925 4.463 -1.819 293 1HB PRO 38 HB2 PRO 38 11.891 6.919 -2.114 294 2HB PRO 38 HB3 PRO 38 13.590 6.574 -2.455 295 1HG PRO 38 HG2 PRO 38 11.299 6.888 -4.356 296 2HG PRO 38 HG3 PRO 38 12.965 7.480 -4.496 297 1HD PRO 38 HD2 PRO 38 12.015 5.209 -5.727 298 2HD PRO 38 HD3 PRO 38 13.722 5.493 -5.344 299 H ASP 39 HN ASP 39 10.234 5.433 -3.941 300 HA ASP 39 HA ASP 39 8.276 3.871 -2.741 301 1HB ASP 39 HB2 ASP 39 7.069 5.663 -1.543 302 2HB ASP 39 HB3 ASP 39 8.614 5.280 -0.810 303 H THR 40 HN THR 40 7.754 3.640 -5.001 304 HA THR 40 HA THR 40 7.139 5.904 -6.612 305 HB THR 40 HB THR 40 7.830 3.730 -7.598 306 HG1 THR 40 HG1 THR 40 6.860 4.879 -9.133 307 1HG2 THR 40 HG21 THR 40 6.695 2.104 -6.303 308 2HG2 THR 40 HG22 THR 40 5.967 2.028 -7.904 309 3HG2 THR 40 HG23 THR 40 5.128 2.854 -6.594 310 H THR 41 HN THR 41 5.206 6.886 -7.034 311 HA THR 41 HA THR 41 3.026 6.253 -5.213 312 HB THR 41 HB THR 41 3.214 8.547 -7.173 313 HG1 THR 41 HG1 THR 41 4.794 9.017 -5.770 314 1HG2 THR 41 HG21 THR 41 1.365 7.863 -4.907 315 2HG2 THR 41 HG22 THR 41 0.965 8.341 -6.558 316 3HG2 THR 41 HG23 THR 41 1.599 9.534 -5.425 317 H CYS 42 HN CYS 42 1.270 5.162 -5.768 318 HA CYS 42 HA CYS 42 0.790 4.602 -8.609 319 1HB CYS 42 HB2 CYS 42 -0.355 3.241 -6.156 320 2HB CYS 42 HB3 CYS 42 -0.611 2.742 -7.826 321 HG CYS 42 HG CYS 42 1.221 1.046 -6.398 322 H LYS 43 HN LYS 43 0.128 7.109 -8.035 323 HA LYS 43 HA LYS 43 -2.549 7.421 -7.089 324 1HB LYS 43 HB2 LYS 43 -2.294 9.761 -7.834 325 2HB LYS 43 HB3 LYS 43 -0.948 9.227 -6.832 326 1HG LYS 43 HG2 LYS 43 0.413 8.899 -8.830 327 2HG LYS 43 HG3 LYS 43 -0.939 9.412 -9.841 328 1HD LYS 43 HD2 LYS 43 -0.909 11.609 -8.755 329 2HD LYS 43 HD3 LYS 43 0.450 11.094 -7.754 330 1HE LYS 43 HE2 LYS 43 1.806 10.773 -9.763 331 2HE LYS 43 HE3 LYS 43 0.447 11.277 -10.766 332 1HZ LYS 43 HZ1 LYS 43 2.345 12.934 -9.941 333 2HZ LYS 43 HZ2 LYS 43 1.246 13.125 -8.670 334 3HZ LYS 43 HZ3 LYS 43 0.760 13.435 -10.260 335 H SER 44 HN SER 44 -4.415 7.837 -8.214 336 HA SER 44 HA SER 44 -4.446 7.945 -11.097 337 1HB SER 44 HB2 SER 44 -5.691 5.590 -9.657 338 2HB SER 44 HB3 SER 44 -5.868 5.949 -11.375 339 HG SER 44 HG SER 44 -3.620 5.035 -9.964 340 H GLY 45 HN GLY 45 -6.242 8.979 -11.845 341 1HA GLY 45 HA1 GLY 45 -8.223 10.143 -11.806 342 2HA GLY 45 HA2 GLY 45 -8.762 8.997 -10.589 343 H ASP 46 HN ASP 46 -6.212 11.481 -10.608 344 HA ASP 46 HA ASP 46 -5.748 13.191 -9.182 345 1HB ASP 46 HB2 ASP 46 -8.748 13.175 -8.784 346 2HB ASP 46 HB3 ASP 46 -7.664 14.473 -8.291 347 H VAL 47 HN VAL 47 -5.976 10.363 -8.205 348 HA VAL 47 HA VAL 47 -6.103 10.989 -5.330 349 HB VAL 47 HB VAL 47 -6.918 8.356 -6.576 350 1HG1 VAL 47 HG11 VAL 47 -7.205 7.526 -4.491 351 2HG1 VAL 47 HG12 VAL 47 -5.975 8.726 -4.092 352 3HG1 VAL 47 HG13 VAL 47 -7.680 9.085 -3.816 353 1HG2 VAL 47 HG21 VAL 47 -8.936 9.964 -5.167 354 2HG2 VAL 47 HG22 VAL 47 -8.389 10.630 -6.705 355 3HG2 VAL 47 HG23 VAL 47 -9.072 9.005 -6.641 356 H GLU 48 HN GLU 48 -4.352 10.311 -4.145 357 HA GLU 48 HA GLU 48 -2.377 8.659 -5.580 358 1HB GLU 48 HB2 GLU 48 -1.650 10.701 -3.493 359 2HB GLU 48 HB3 GLU 48 -0.602 9.909 -4.663 360 1HG GLU 48 HG2 GLU 48 -1.681 11.130 -6.473 361 2HG GLU 48 HG3 GLU 48 -2.744 11.919 -5.311 362 H LEU 49 HN LEU 49 -1.671 6.878 -4.624 363 HA LEU 49 HA LEU 49 -1.913 6.559 -1.729 364 1HB LEU 49 HB2 LEU 49 -3.115 4.693 -3.771 365 2HB LEU 49 HB3 LEU 49 -2.800 4.217 -2.115 366 HG LEU 49 HG LEU 49 -5.115 4.757 -2.309 367 1HD1 LEU 49 HD11 LEU 49 -4.027 5.439 -0.243 368 2HD1 LEU 49 HD12 LEU 49 -3.668 7.018 -0.942 369 3HD1 LEU 49 HD13 LEU 49 -5.341 6.538 -0.662 370 1HD2 LEU 49 HD21 LEU 49 -4.296 6.594 -4.223 371 2HD2 LEU 49 HD22 LEU 49 -5.940 6.323 -3.647 372 3HD2 LEU 49 HD23 LEU 49 -4.944 7.577 -2.911 373 H LYS 50 HN LYS 50 -0.284 5.405 -0.845 374 HA LYS 50 HA LYS 50 1.229 3.442 -2.175 375 1HB LYS 50 HB2 LYS 50 3.363 4.649 -2.424 376 2HB LYS 50 HB3 LYS 50 2.113 5.295 -3.477 377 1HG LYS 50 HG2 LYS 50 1.744 7.133 -1.902 378 2HG LYS 50 HG3 LYS 50 3.013 6.482 -0.866 379 1HD LYS 50 HD2 LYS 50 4.664 6.832 -2.592 380 2HD LYS 50 HD3 LYS 50 3.416 7.356 -3.721 381 1HE LYS 50 HE2 LYS 50 2.932 9.284 -2.325 382 2HE LYS 50 HE3 LYS 50 4.120 8.747 -1.140 383 1HZ LYS 50 HZ1 LYS 50 5.794 9.565 -2.347 384 2HZ LYS 50 HZ2 LYS 50 4.614 10.463 -3.157 385 3HZ LYS 50 HZ3 LYS 50 5.163 9.005 -3.814 386 H ALA 51 HN ALA 51 3.462 3.193 -0.930 387 HA ALA 51 HA ALA 51 2.758 2.631 1.741 388 1HB ALA 51 HB1 ALA 51 5.554 2.602 1.583 389 2HB ALA 51 HB2 ALA 51 4.451 1.238 1.425 390 3HB ALA 51 HB3 ALA 51 4.971 2.122 -0.009 391 H SER 52 HN SER 52 4.650 5.263 0.308 392 HA SER 52 HA SER 52 5.548 6.342 2.761 393 1HB SER 52 HB2 SER 52 6.643 6.902 0.663 394 2HB SER 52 HB3 SER 52 5.174 7.678 0.074 395 HG SER 52 HG SER 52 6.562 9.243 0.887 396 H ASP 53 HN ASP 53 2.854 7.332 0.643 397 HA ASP 53 HA ASP 53 1.925 9.341 2.426 398 1HB ASP 53 HB2 ASP 53 0.567 7.997 0.086 399 2HB ASP 53 HB3 ASP 53 -0.063 9.407 0.932 400 H ALA 54 HN ALA 54 0.633 6.114 1.606 401 HA ALA 54 HA ALA 54 -1.310 6.322 3.751 402 1HB ALA 54 HB1 ALA 54 -2.193 5.353 1.812 403 2HB ALA 54 HB2 ALA 54 -0.813 4.272 1.619 404 3HB ALA 54 HB3 ALA 54 -1.963 4.009 2.930 405 H GLY 55 HN GLY 55 1.466 4.235 2.947 406 1HA GLY 55 HA1 GLY 55 1.387 2.395 4.957 407 2HA GLY 55 HA2 GLY 55 2.889 3.075 4.364 408 H GLN 56 HN GLN 56 2.086 5.788 5.340 409 HA GLN 56 HA GLN 56 3.463 5.996 7.672 410 1HB GLN 56 HB2 GLN 56 2.065 8.014 8.165 411 2HB GLN 56 HB3 GLN 56 2.720 7.973 6.532 412 1HG GLN 56 HG2 GLN 56 0.552 7.159 5.717 413 2HG GLN 56 HG3 GLN 56 -0.085 7.259 7.357 414 1HE2 GLN 56 HE21 GLN 56 -1.264 8.984 7.700 415 2HE2 GLN 56 HE22 GLN 56 -1.046 10.537 6.977 416 H VAL 57 HN VAL 57 0.124 5.045 7.287 417 HA VAL 57 HA VAL 57 -0.649 5.164 9.987 418 HB VAL 57 HB VAL 57 -2.552 3.774 9.306 419 1HG1 VAL 57 HG11 VAL 57 -1.667 6.199 7.920 420 2HG1 VAL 57 HG12 VAL 57 -2.916 5.294 7.060 421 3HG1 VAL 57 HG13 VAL 57 -3.204 5.840 8.713 422 1HG2 VAL 57 HG21 VAL 57 -0.774 3.213 6.993 423 2HG2 VAL 57 HG22 VAL 57 -1.884 2.148 7.852 424 3HG2 VAL 57 HG23 VAL 57 -2.509 3.319 6.693 425 H LEU 58 HN LEU 58 0.958 2.664 8.107 426 HA LEU 58 HA LEU 58 0.587 0.542 9.950 427 1HB LEU 58 HB2 LEU 58 2.990 0.818 8.156 428 2HB LEU 58 HB3 LEU 58 2.206 -0.649 8.710 429 HG LEU 58 HG LEU 58 1.072 1.305 6.706 430 1HD1 LEU 58 HD11 LEU 58 1.491 -1.433 5.851 431 2HD1 LEU 58 HD12 LEU 58 1.979 0.079 5.089 432 3HD1 LEU 58 HD13 LEU 58 2.992 -0.647 6.336 433 1HD2 LEU 58 HD21 LEU 58 -0.193 -0.700 8.337 434 2HD2 LEU 58 HD22 LEU 58 -0.911 0.435 7.196 435 3HD2 LEU 58 HD23 LEU 58 -0.313 -1.122 6.628 436 H THR 59 HN THR 59 1.384 0.393 11.957 437 HA THR 59 HA THR 59 3.447 2.174 12.866 438 HB THR 59 HB THR 59 3.185 1.099 15.053 439 HG1 THR 59 HG1 THR 59 2.737 -1.043 14.194 440 1HG2 THR 59 HG21 THR 59 0.512 1.623 13.752 441 2HG2 THR 59 HG22 THR 59 1.610 2.870 14.344 442 3HG2 THR 59 HG23 THR 59 0.883 1.726 15.473 443 H ALA 60 HN ALA 60 5.437 1.508 13.879 444 HA ALA 60 HA ALA 60 7.111 0.002 12.338 445 1HB ALA 60 HB1 ALA 60 7.455 1.491 14.542 446 2HB ALA 60 HB2 ALA 60 7.687 -0.116 15.231 447 3HB ALA 60 HB3 ALA 60 8.698 0.424 13.890 448 H ASP 61 HN ASP 61 5.147 -1.136 15.048 449 HA ASP 61 HA ASP 61 6.163 -3.696 15.346 450 1HB ASP 61 HB2 ASP 61 3.283 -2.804 15.596 451 2HB ASP 61 HB3 ASP 61 3.945 -4.300 16.248 452 H ASP 62 HN ASP 62 4.207 -2.386 12.802 453 HA ASP 62 HA ASP 62 3.194 -4.829 11.775 454 1HB ASP 62 HB2 ASP 62 3.643 -2.217 10.326 455 2HB ASP 62 HB3 ASP 62 2.626 -3.545 9.788 456 H PHE 63 HN PHE 63 6.364 -4.009 11.974 457 HA PHE 63 HA PHE 63 7.564 -4.150 9.574 458 1HB PHE 63 HB2 PHE 63 8.307 -4.921 12.246 459 2HB PHE 63 HB3 PHE 63 9.001 -6.045 11.083 460 HD1 PHE 63 HD1 PHE 63 8.468 -2.351 11.287 461 HD2 PHE 63 HD2 PHE 63 11.135 -5.561 10.463 462 HE1 PHE 63 HE1 PHE 63 10.251 -0.734 10.787 463 HE2 PHE 63 HE2 PHE 63 12.924 -3.951 9.965 464 HZ PHE 63 HZ PHE 63 12.485 -1.533 10.125 465 HA PRO 64 HA PRO 64 7.167 -8.875 9.018 466 1HB PRO 64 HB2 PRO 64 5.965 -10.379 10.898 467 2HB PRO 64 HB3 PRO 64 7.672 -9.929 11.006 468 1HG PRO 64 HG2 PRO 64 5.303 -8.720 12.385 469 2HG PRO 64 HG3 PRO 64 6.902 -9.110 13.045 470 1HD PRO 64 HD2 PRO 64 6.169 -6.596 12.277 471 2HD PRO 64 HD3 PRO 64 7.844 -7.182 12.232 472 H PHE 65 HN PHE 65 5.620 -7.651 7.647 473 HA PHE 65 HA PHE 65 2.814 -7.769 8.228 474 1HB PHE 65 HB2 PHE 65 4.535 -6.646 6.177 475 2HB PHE 65 HB3 PHE 65 3.096 -7.389 5.483 476 HD1 PHE 65 HD1 PHE 65 4.404 -4.566 7.354 477 HD2 PHE 65 HD2 PHE 65 0.881 -6.614 6.158 478 HE1 PHE 65 HE1 PHE 65 3.063 -2.576 7.885 479 HE2 PHE 65 HE2 PHE 65 -0.466 -4.645 6.680 480 HZ PHE 65 HZ PHE 65 0.623 -2.610 7.550 481 H LYS 66 HN LYS 66 1.270 -9.123 7.368 482 HA LYS 66 HA LYS 66 2.093 -11.757 6.669 483 1HB LYS 66 HB2 LYS 66 -0.639 -10.483 6.509 484 2HB LYS 66 HB3 LYS 66 -0.312 -12.199 6.348 485 1HG LYS 66 HG2 LYS 66 0.208 -10.532 8.801 486 2HG LYS 66 HG3 LYS 66 -1.134 -11.656 8.573 487 1HD LYS 66 HD2 LYS 66 0.458 -13.504 8.348 488 2HD LYS 66 HD3 LYS 66 1.797 -12.379 8.577 489 1HE LYS 66 HE2 LYS 66 0.958 -11.837 10.810 490 2HE LYS 66 HE3 LYS 66 -0.384 -12.957 10.579 491 1HZ LYS 66 HZ1 LYS 66 1.321 -14.732 10.279 492 2HZ LYS 66 HZ2 LYS 66 1.271 -14.067 11.835 493 3HZ LYS 66 HZ3 LYS 66 2.501 -13.619 10.763 494 H SER 67 HN SER 67 3.468 -10.873 4.896 495 HA SER 67 HA SER 67 3.975 -10.720 2.713 496 1HB SER 67 HB2 SER 67 1.313 -12.078 2.306 497 2HB SER 67 HB3 SER 67 2.621 -11.983 1.127 498 HG SER 67 HG SER 67 2.733 -13.258 3.659 499 H ALA 68 HN ALA 68 3.463 -9.713 0.661 500 HA ALA 68 HA ALA 68 2.580 -7.116 0.889 501 1HB ALA 68 HB1 ALA 68 2.968 -8.942 -1.440 502 2HB ALA 68 HB2 ALA 68 2.323 -7.318 -1.683 503 3HB ALA 68 HB3 ALA 68 3.913 -7.537 -0.949 504 H GLU 69 HN GLU 69 0.704 -9.984 0.384 505 HA GLU 69 HA GLU 69 -1.584 -8.866 -0.759 506 1HB GLU 69 HB2 GLU 69 -2.774 -10.820 0.123 507 2HB GLU 69 HB3 GLU 69 -1.250 -11.272 -0.630 508 1HG GLU 69 HG2 GLU 69 -0.244 -11.330 1.629 509 2HG GLU 69 HG3 GLU 69 -1.848 -11.041 2.293 510 H GLU 70 HN GLU 70 -0.802 -9.348 2.735 511 HA GLU 70 HA GLU 70 -3.243 -8.081 3.480 512 1HB GLU 70 HB2 GLU 70 -2.751 -8.549 5.666 513 2HB GLU 70 HB3 GLU 70 -1.819 -9.788 4.843 514 1HG GLU 70 HG2 GLU 70 0.125 -8.981 5.581 515 2HG GLU 70 HG3 GLU 70 -0.350 -7.314 5.281 516 H VAL 71 HN VAL 71 0.020 -6.982 2.954 517 HA VAL 71 HA VAL 71 -0.203 -4.488 4.253 518 HB VAL 71 HB VAL 71 1.418 -5.150 1.801 519 1HG1 VAL 71 HG11 VAL 71 2.841 -3.285 3.129 520 2HG1 VAL 71 HG12 VAL 71 1.713 -2.911 1.826 521 3HG1 VAL 71 HG13 VAL 71 1.201 -2.758 3.507 522 1HG2 VAL 71 HG21 VAL 71 1.589 -6.340 4.236 523 2HG2 VAL 71 HG22 VAL 71 2.923 -6.164 3.112 524 3HG2 VAL 71 HG23 VAL 71 2.724 -5.002 4.414 525 H ALA 72 HN ALA 72 -0.876 -5.444 0.895 526 HA ALA 72 HA ALA 72 -1.637 -2.922 -0.060 527 1HB ALA 72 HB1 ALA 72 -1.483 -5.487 -1.101 528 2HB ALA 72 HB2 ALA 72 -3.193 -5.077 -1.225 529 3HB ALA 72 HB3 ALA 72 -1.980 -4.033 -1.966 530 H ASP 73 HN ASP 73 -3.510 -5.518 1.452 531 HA ASP 73 HA ASP 73 -6.044 -4.296 1.281 532 1HB ASP 73 HB2 ASP 73 -5.570 -6.713 1.854 533 2HB ASP 73 HB3 ASP 73 -5.080 -6.169 3.454 534 H THR 74 HN THR 74 -3.534 -4.229 3.742 535 HA THR 74 HA THR 74 -4.903 -2.775 5.710 536 HB THR 74 HB THR 74 -1.934 -2.949 5.169 537 HG1 THR 74 HG1 THR 74 -3.744 -4.523 6.689 538 1HG2 THR 74 HG21 THR 74 -3.365 -2.207 7.719 539 2HG2 THR 74 HG22 THR 74 -2.537 -1.070 6.656 540 3HG2 THR 74 HG23 THR 74 -1.621 -2.328 7.486 541 H ILE 75 HN ILE 75 -2.571 -1.655 3.251 542 HA ILE 75 HA ILE 75 -2.580 1.042 3.954 543 HB ILE 75 HB ILE 75 -2.149 -0.210 1.239 544 1HG1 ILE 75 HG12 ILE 75 -0.193 0.681 3.369 545 2HG1 ILE 75 HG13 ILE 75 -0.600 -0.987 2.985 546 1HG2 ILE 75 HG21 ILE 75 -2.501 2.500 1.823 547 2HG2 ILE 75 HG22 ILE 75 -0.758 2.279 1.666 548 3HG2 ILE 75 HG23 ILE 75 -1.831 1.803 0.349 549 1HD1 ILE 75 HD11 ILE 75 1.564 0.056 2.039 550 2HD1 ILE 75 HD12 ILE 75 0.559 -0.948 0.995 551 3HD1 ILE 75 HD13 ILE 75 0.483 0.809 0.866 552 H VAL 76 HN VAL 76 -4.504 -0.584 1.424 553 HA VAL 76 HA VAL 76 -5.925 1.668 0.605 554 HB VAL 76 HB VAL 76 -7.680 0.013 -0.184 555 1HG1 VAL 76 HG11 VAL 76 -5.111 -0.985 -1.220 556 2HG1 VAL 76 HG12 VAL 76 -6.478 -0.266 -2.071 557 3HG1 VAL 76 HG13 VAL 76 -5.313 0.767 -1.242 558 1HG2 VAL 76 HG21 VAL 76 -6.021 -1.732 1.468 559 2HG2 VAL 76 HG22 VAL 76 -7.672 -1.953 0.893 560 3HG2 VAL 76 HG23 VAL 76 -6.310 -2.359 -0.153 561 H ASN 77 HN ASN 77 -6.758 -0.689 3.151 562 HA ASN 77 HA ASN 77 -9.309 0.357 3.698 563 1HB ASN 77 HB2 ASN 77 -7.375 -1.201 5.404 564 2HB ASN 77 HB3 ASN 77 -8.957 -0.705 5.995 565 1HD2 ASN 77 HD21 ASN 77 -7.459 -3.288 4.990 566 2HD2 ASN 77 HD22 ASN 77 -8.705 -4.099 4.110 567 H LYS 78 HN LYS 78 -6.227 0.965 5.402 568 HA LYS 78 HA LYS 78 -7.320 2.965 7.090 569 1HB LYS 78 HB2 LYS 78 -4.475 2.304 6.341 570 2HB LYS 78 HB3 LYS 78 -4.919 3.465 7.587 571 1HG LYS 78 HG2 LYS 78 -6.028 1.711 8.857 572 2HG LYS 78 HG3 LYS 78 -5.643 0.540 7.595 573 1HD LYS 78 HD2 LYS 78 -3.284 0.791 8.015 574 2HD LYS 78 HD3 LYS 78 -3.590 2.095 9.164 575 1HE LYS 78 HE2 LYS 78 -3.119 -0.027 10.298 576 2HE LYS 78 HE3 LYS 78 -4.749 0.552 10.640 577 1HZ LYS 78 HZ1 LYS 78 -3.980 -1.914 9.576 578 2HZ LYS 78 HZ2 LYS 78 -4.847 -1.096 8.375 579 3HZ LYS 78 HZ3 LYS 78 -5.545 -1.356 9.893 580 H ALA 79 HN ALA 79 -5.509 3.076 4.058 581 HA ALA 79 HA ALA 79 -5.183 5.886 3.997 582 1HB ALA 79 HB1 ALA 79 -3.904 4.180 2.645 583 2HB ALA 79 HB2 ALA 79 -5.304 4.105 1.576 584 3HB ALA 79 HB3 ALA 79 -4.425 5.622 1.773 585 H GLY 80 HN GLY 80 -7.818 3.792 3.017 586 1HA GLY 80 HA1 GLY 80 -9.879 5.487 3.122 587 2HA GLY 80 HA2 GLY 80 -9.148 5.956 1.592 588 H LEU 81 HN LEU 81 -8.472 3.761 0.370 589 HA LEU 81 HA LEU 81 -10.939 2.681 -0.511 590 1HB LEU 81 HB2 LEU 81 -8.169 1.658 -1.112 591 2HB LEU 81 HB3 LEU 81 -9.617 1.451 -2.085 592 HG LEU 81 HG LEU 81 -8.418 4.161 -1.525 593 1HD1 LEU 81 HD11 LEU 81 -6.883 2.479 -2.730 594 2HD1 LEU 81 HD12 LEU 81 -8.013 2.634 -4.076 595 3HD1 LEU 81 HD13 LEU 81 -7.154 4.052 -3.479 596 1HD2 LEU 81 HD21 LEU 81 -9.865 4.970 -3.127 597 2HD2 LEU 81 HD22 LEU 81 -10.077 3.394 -3.889 598 3HD2 LEU 81 HD23 LEU 81 -10.854 3.738 -2.344 Start of MODEL 6 1 1H GLY -3 HT1 GLY -3 -20.647 8.237 4.763 2 2H GLY -3 HT2 GLY -3 -21.265 9.188 6.017 3 3H GLY -3 HT3 GLY -3 -19.763 8.429 6.192 4 1HA GLY -3 HA2 GLY -3 -20.444 10.904 4.869 5 2HA GLY -3 HA1 GLY -3 -18.927 10.406 5.604 6 H SER -2 HN SER -2 -17.447 10.768 4.062 7 HA SER -2 HA SER -2 -17.869 10.544 1.298 8 1HB SER -2 HB2 SER -2 -15.272 10.375 2.849 9 2HB SER -2 HB3 SER -2 -15.406 10.639 1.109 10 HG SER -2 HG SER -2 -15.395 12.661 1.738 11 H HIS -1 HN HIS -1 -17.751 8.893 -0.106 12 HA HIS -1 HA HIS -1 -17.867 6.233 0.800 13 1HB HIS -1 HB2 HIS -1 -18.897 7.005 -1.307 14 2HB HIS -1 HB3 HIS -1 -17.294 7.242 -1.995 15 HD1 HIS -1 HD1 HIS -1 -18.921 4.292 -0.207 16 HD2 HIS -1 HD2 HIS -1 -16.822 5.191 -3.678 17 HE1 HIS -1 HE1 HIS -1 -18.659 2.105 -1.420 18 HE2 HIS -1 HE2 HIS -1 -17.306 2.659 -3.472 19 H MET 1 HN MET 1 -15.235 8.202 -0.412 20 HA MET 1 HA MET 1 -12.979 7.959 -0.285 21 1HB MET 1 HB2 MET 1 -13.566 5.420 1.246 22 2HB MET 1 HB3 MET 1 -12.001 6.207 1.120 23 1HG MET 1 HG2 MET 1 -14.459 7.373 2.405 24 2HG MET 1 HG3 MET 1 -13.075 6.681 3.248 25 1HE MET 1 HE1 MET 1 -10.740 7.383 2.819 26 2HE MET 1 HE2 MET 1 -10.530 8.213 1.278 27 3HE MET 1 HE3 MET 1 -10.251 9.077 2.789 28 H LYS 2 HN LYS 2 -14.462 4.746 -0.833 29 HA LYS 2 HA LYS 2 -12.402 3.892 -2.585 30 1HB LYS 2 HB2 LYS 2 -15.219 2.836 -2.279 31 2HB LYS 2 HB3 LYS 2 -13.897 2.016 -3.098 32 1HG LYS 2 HG2 LYS 2 -12.663 1.934 -0.968 33 2HG LYS 2 HG3 LYS 2 -14.043 2.684 -0.165 34 1HD LYS 2 HD2 LYS 2 -14.122 0.300 0.183 35 2HD LYS 2 HD3 LYS 2 -15.443 0.771 -0.888 36 1HE LYS 2 HE2 LYS 2 -14.187 0.022 -2.818 37 2HE LYS 2 HE3 LYS 2 -12.796 -0.351 -1.801 38 1HZ LYS 2 HZ1 LYS 2 -13.731 -2.398 -1.933 39 2HZ LYS 2 HZ2 LYS 2 -15.305 -1.810 -2.132 40 3HZ LYS 2 HZ3 LYS 2 -14.597 -1.828 -0.595 41 H MET 3 HN MET 3 -12.872 3.242 -4.886 42 HA MET 3 HA MET 3 -14.929 4.617 -6.285 43 1HB MET 3 HB2 MET 3 -13.360 6.489 -5.775 44 2HB MET 3 HB3 MET 3 -12.119 5.651 -6.695 45 1HG MET 3 HG2 MET 3 -13.168 7.422 -7.993 46 2HG MET 3 HG3 MET 3 -13.453 5.841 -8.713 47 1HE MET 3 HE1 MET 3 -14.989 8.742 -6.572 48 2HE MET 3 HE2 MET 3 -16.623 8.148 -6.281 49 3HE MET 3 HE3 MET 3 -15.245 7.335 -5.540 50 H GLY 4 HN GLY 4 -14.152 1.955 -6.193 51 1HA GLY 4 HA1 GLY 4 -14.013 0.227 -7.719 52 2HA GLY 4 HA2 GLY 4 -13.800 1.418 -8.989 53 H VAL 5 HN VAL 5 -11.463 2.689 -8.120 54 HA VAL 5 HA VAL 5 -9.512 0.935 -9.098 55 HB VAL 5 HB VAL 5 -9.485 3.504 -9.028 56 1HG1 VAL 5 HG11 VAL 5 -9.558 3.510 -6.483 57 2HG1 VAL 5 HG12 VAL 5 -7.856 3.028 -6.551 58 3HG1 VAL 5 HG13 VAL 5 -8.369 4.575 -7.239 59 1HG2 VAL 5 HG21 VAL 5 -6.991 3.556 -9.083 60 2HG2 VAL 5 HG22 VAL 5 -7.027 1.852 -8.642 61 3HG2 VAL 5 HG23 VAL 5 -7.757 2.388 -10.156 62 H LYS 6 HN LYS 6 -10.888 0.891 -6.018 63 HA LYS 6 HA LYS 6 -8.828 0.626 -4.248 64 1HB LYS 6 HB2 LYS 6 -11.217 0.337 -3.656 65 2HB LYS 6 HB3 LYS 6 -11.214 -1.233 -4.442 66 1HG LYS 6 HG2 LYS 6 -9.392 -0.590 -2.144 67 2HG LYS 6 HG3 LYS 6 -11.031 -1.194 -1.911 68 1HD LYS 6 HD2 LYS 6 -10.412 -3.152 -3.356 69 2HD LYS 6 HD3 LYS 6 -8.748 -2.573 -3.315 70 1HE LYS 6 HE2 LYS 6 -9.105 -4.301 -1.640 71 2HE LYS 6 HE3 LYS 6 -8.733 -2.753 -0.884 72 1HZ LYS 6 HZ1 LYS 6 -10.764 -4.291 -0.144 73 2HZ LYS 6 HZ2 LYS 6 -11.551 -3.329 -1.289 74 3HZ LYS 6 HZ3 LYS 6 -10.771 -2.608 0.027 75 H GLU 7 HN GLU 7 -9.994 -1.800 -6.542 76 HA GLU 7 HA GLU 7 -7.915 -3.670 -5.873 77 1HB GLU 7 HB2 GLU 7 -10.079 -4.475 -6.684 78 2HB GLU 7 HB3 GLU 7 -9.849 -3.614 -8.199 79 1HG GLU 7 HG2 GLU 7 -7.919 -5.024 -8.707 80 2HG GLU 7 HG3 GLU 7 -8.157 -5.891 -7.191 81 H ASP 8 HN ASP 8 -8.450 -1.189 -8.313 82 HA ASP 8 HA ASP 8 -6.385 -1.907 -10.054 83 1HB ASP 8 HB2 ASP 8 -7.966 0.531 -9.627 84 2HB ASP 8 HB3 ASP 8 -6.546 0.626 -10.661 85 H ILE 9 HN ILE 9 -6.358 0.556 -7.489 86 HA ILE 9 HA ILE 9 -3.636 1.233 -7.804 87 HB ILE 9 HB ILE 9 -5.600 1.653 -5.553 88 1HG1 ILE 9 HG12 ILE 9 -4.190 3.544 -7.448 89 2HG1 ILE 9 HG13 ILE 9 -5.868 3.033 -7.552 90 1HG2 ILE 9 HG21 ILE 9 -2.671 1.881 -5.477 91 2HG2 ILE 9 HG22 ILE 9 -3.539 3.306 -4.910 92 3HG2 ILE 9 HG23 ILE 9 -3.834 1.738 -4.160 93 1HD1 ILE 9 HD11 ILE 9 -6.475 4.699 -6.236 94 2HD1 ILE 9 HD12 ILE 9 -5.406 4.111 -4.961 95 3HD1 ILE 9 HD13 ILE 9 -4.798 5.238 -6.173 96 H ARG 10 HN ARG 10 -5.341 -0.881 -5.477 97 HA ARG 10 HA ARG 10 -3.066 -1.759 -4.086 98 1HB ARG 10 HB2 ARG 10 -5.783 -2.337 -3.980 99 2HB ARG 10 HB3 ARG 10 -5.079 -3.854 -4.512 100 1HG ARG 10 HG2 ARG 10 -3.536 -3.765 -2.580 101 2HG ARG 10 HG3 ARG 10 -4.379 -2.321 -2.021 102 1HD ARG 10 HD2 ARG 10 -5.267 -4.170 -0.817 103 2HD ARG 10 HD3 ARG 10 -6.487 -3.672 -1.985 104 HE ARG 10 HE ARG 10 -5.024 -6.164 -1.933 105 1HH1 ARG 10 HH12 ARG 10 -7.070 -4.034 -3.800 106 2HH1 ARG 10 HH11 ARG 10 -7.486 -5.256 -4.953 107 1HH2 ARG 10 HH22 ARG 10 -5.577 -7.758 -3.450 108 2HH2 ARG 10 HH21 ARG 10 -6.641 -7.364 -4.758 109 H GLY 11 HN GLY 11 -4.360 -2.582 -7.210 110 1HA GLY 11 HA1 GLY 11 -2.932 -5.007 -7.615 111 2HA GLY 11 HA2 GLY 11 -3.517 -3.935 -8.889 112 H GLN 12 HN GLN 12 -2.230 -1.626 -8.168 113 HA GLN 12 HA GLN 12 0.348 -1.992 -9.311 114 1HB GLN 12 HB2 GLN 12 -0.851 0.414 -7.917 115 2HB GLN 12 HB3 GLN 12 0.594 0.425 -8.913 116 1HG GLN 12 HG2 GLN 12 -0.687 -0.134 -10.868 117 2HG GLN 12 HG3 GLN 12 -2.145 -0.316 -9.898 118 1HE2 GLN 12 HE21 GLN 12 -0.511 1.710 -11.902 119 2HE2 GLN 12 HE22 GLN 12 -1.224 3.214 -11.437 120 H ILE 13 HN ILE 13 -0.921 -1.672 -6.069 121 HA ILE 13 HA ILE 13 1.551 -1.142 -4.766 122 HB ILE 13 HB ILE 13 -1.025 -2.245 -3.648 123 1HG1 ILE 13 HG12 ILE 13 0.103 0.563 -3.672 124 2HG1 ILE 13 HG13 ILE 13 -1.249 -0.009 -4.641 125 1HG2 ILE 13 HG21 ILE 13 0.117 -2.640 -1.782 126 2HG2 ILE 13 HG22 ILE 13 1.574 -1.904 -2.446 127 3HG2 ILE 13 HG23 ILE 13 0.367 -0.901 -1.641 128 1HD1 ILE 13 HD11 ILE 13 -2.304 1.068 -2.907 129 2HD1 ILE 13 HD12 ILE 13 -2.301 -0.604 -2.347 130 3HD1 ILE 13 HD13 ILE 13 -1.116 0.539 -1.715 131 H ILE 14 HN ILE 14 -0.362 -4.110 -5.213 132 HA ILE 14 HA ILE 14 1.295 -5.818 -3.746 133 HB ILE 14 HB ILE 14 -0.687 -6.230 -5.945 134 1HG1 ILE 14 HG12 ILE 14 -1.469 -5.927 -3.647 135 2HG1 ILE 14 HG13 ILE 14 -1.813 -7.565 -4.198 136 1HG2 ILE 14 HG21 ILE 14 -0.324 -8.733 -5.628 137 2HG2 ILE 14 HG22 ILE 14 0.869 -7.875 -6.603 138 3HG2 ILE 14 HG23 ILE 14 1.242 -8.309 -4.935 139 1HD1 ILE 14 HD11 ILE 14 -1.024 -7.925 -2.079 140 2HD1 ILE 14 HD12 ILE 14 0.436 -8.136 -3.043 141 3HD1 ILE 14 HD13 ILE 14 0.162 -6.624 -2.180 142 H GLY 15 HN GLY 15 1.279 -5.165 -7.262 143 1HA GLY 15 HA1 GLY 15 3.569 -6.735 -7.826 144 2HA GLY 15 HA2 GLY 15 2.938 -5.441 -8.839 145 H ALA 16 HN ALA 16 3.112 -3.401 -6.876 146 HA ALA 16 HA ALA 16 5.760 -2.505 -7.294 147 1HB ALA 16 HB1 ALA 16 3.387 -1.498 -5.778 148 2HB ALA 16 HB2 ALA 16 4.962 -0.735 -5.548 149 3HB ALA 16 HB3 ALA 16 4.239 -0.784 -7.154 150 H LEU 17 HN LEU 17 4.263 -4.318 -4.756 151 HA LEU 17 HA LEU 17 6.302 -3.773 -2.796 152 1HB LEU 17 HB2 LEU 17 3.914 -5.595 -2.901 153 2HB LEU 17 HB3 LEU 17 5.073 -5.682 -1.593 154 HG LEU 17 HG LEU 17 3.626 -3.134 -2.298 155 1HD1 LEU 17 HD11 LEU 17 1.816 -3.697 -1.095 156 2HD1 LEU 17 HD12 LEU 17 2.306 -5.346 -1.474 157 3HD1 LEU 17 HD13 LEU 17 2.749 -4.629 0.074 158 1HD2 LEU 17 HD21 LEU 17 4.716 -2.217 -0.577 159 2HD2 LEU 17 HD22 LEU 17 4.440 -3.614 0.463 160 3HD2 LEU 17 HD23 LEU 17 5.793 -3.609 -0.669 161 H ALA 18 HN ALA 18 5.582 -6.146 -5.217 162 HA ALA 18 HA ALA 18 7.155 -8.285 -4.353 163 1HB ALA 18 HB1 ALA 18 5.546 -8.166 -6.338 164 2HB ALA 18 HB2 ALA 18 6.914 -7.524 -7.247 165 3HB ALA 18 HB3 ALA 18 7.007 -9.133 -6.531 166 H GLY 19 HN GLY 19 9.299 -8.690 -4.305 167 1HA GLY 19 HA1 GLY 19 11.486 -8.411 -5.392 168 2HA GLY 19 HA2 GLY 19 11.080 -6.714 -5.595 169 H ALA 20 HN ALA 20 9.958 -6.418 -2.933 170 HA ALA 20 HA ALA 20 12.131 -5.475 -1.514 171 1HB ALA 20 HB1 ALA 20 9.806 -6.572 -0.007 172 2HB ALA 20 HB2 ALA 20 10.676 -5.054 0.211 173 3HB ALA 20 HB3 ALA 20 9.550 -5.239 -1.133 174 H ASP 21 HN ASP 21 12.469 -6.322 0.895 175 HA ASP 21 HA ASP 21 14.024 -8.661 0.747 176 1HB ASP 21 HB2 ASP 21 12.874 -7.068 3.042 177 2HB ASP 21 HB3 ASP 21 13.877 -8.493 3.320 178 H PHE 22 HN PHE 22 12.152 -9.231 3.506 179 HA PHE 22 HA PHE 22 11.031 -11.592 2.411 180 1HB PHE 22 HB2 PHE 22 10.010 -11.958 4.515 181 2HB PHE 22 HB3 PHE 22 11.473 -11.083 4.908 182 HD1 PHE 22 HD1 PHE 22 11.086 -9.766 6.794 183 HD2 PHE 22 HD2 PHE 22 8.096 -9.968 3.786 184 HE1 PHE 22 HE1 PHE 22 9.758 -8.156 8.065 185 HE2 PHE 22 HE2 PHE 22 6.758 -8.322 5.031 186 HZ PHE 22 HZ PHE 22 7.637 -7.415 7.199 187 HA PRO 23 HA PRO 23 7.325 -10.102 0.593 188 1HB PRO 23 HB2 PRO 23 5.176 -11.135 1.889 189 2HB PRO 23 HB3 PRO 23 6.199 -12.082 0.811 190 1HG PRO 23 HG2 PRO 23 6.250 -11.913 3.803 191 2HG PRO 23 HG3 PRO 23 6.360 -13.346 2.759 192 1HD PRO 23 HD2 PRO 23 8.535 -12.225 3.869 193 2HD PRO 23 HD3 PRO 23 8.592 -12.965 2.258 194 H ILE 24 HN ILE 24 8.242 -8.040 1.842 195 HA ILE 24 HA ILE 24 7.236 -5.935 2.177 196 HB ILE 24 HB ILE 24 5.235 -7.401 3.867 197 1HG1 ILE 24 HG12 ILE 24 4.847 -7.826 1.541 198 2HG1 ILE 24 HG13 ILE 24 3.685 -6.597 2.037 199 1HG2 ILE 24 HG21 ILE 24 6.013 -4.679 3.929 200 2HG2 ILE 24 HG22 ILE 24 4.403 -4.773 3.217 201 3HG2 ILE 24 HG23 ILE 24 4.710 -5.467 4.806 202 1HD1 ILE 24 HD11 ILE 24 5.659 -5.013 1.208 203 2HD1 ILE 24 HD12 ILE 24 5.973 -6.420 0.193 204 3HD1 ILE 24 HD13 ILE 24 4.399 -5.631 0.141 205 H ASN 25 HN ASN 25 9.510 -6.328 3.217 206 HA ASN 25 HA ASN 25 9.784 -6.508 6.025 207 1HB ASN 25 HB2 ASN 25 11.461 -5.586 3.761 208 2HB ASN 25 HB3 ASN 25 11.922 -5.041 5.375 209 1HD2 ASN 25 HD21 ASN 25 13.394 -6.220 6.266 210 2HD2 ASN 25 HD22 ASN 25 13.581 -7.934 6.110 211 H SER 26 HN SER 26 7.771 -4.978 6.338 212 HA SER 26 HA SER 26 6.970 -2.994 7.124 213 1HB SER 26 HB2 SER 26 8.428 -1.649 8.460 214 2HB SER 26 HB3 SER 26 8.996 -3.305 8.644 215 HG SER 26 HG SER 26 10.840 -2.595 7.980 216 HA PRO 27 HA PRO 27 6.837 -0.217 3.783 217 1HB PRO 27 HB2 PRO 27 7.158 2.023 5.723 218 2HB PRO 27 HB3 PRO 27 5.942 1.803 4.459 219 1HG PRO 27 HG2 PRO 27 5.357 1.356 7.033 220 2HG PRO 27 HG3 PRO 27 4.675 0.347 5.744 221 1HD PRO 27 HD2 PRO 27 6.830 -0.279 7.696 222 2HD PRO 27 HD3 PRO 27 5.646 -1.357 6.925 223 H GLU 28 HN GLU 28 9.367 0.342 6.162 224 HA GLU 28 HA GLU 28 10.995 2.054 4.711 225 1HB GLU 28 HB2 GLU 28 11.929 -0.272 6.412 226 2HB GLU 28 HB3 GLU 28 12.853 1.172 6.012 227 1HG GLU 28 HG2 GLU 28 10.335 1.108 7.663 228 2HG GLU 28 HG3 GLU 28 11.978 1.241 8.290 229 H GLU 29 HN GLU 29 11.180 -1.498 4.792 230 HA GLU 29 HA GLU 29 13.014 -1.667 2.618 231 1HB GLU 29 HB2 GLU 29 12.750 -3.275 4.506 232 2HB GLU 29 HB3 GLU 29 11.231 -3.771 3.739 233 1HG GLU 29 HG2 GLU 29 13.113 -5.267 3.192 234 2HG GLU 29 HG3 GLU 29 12.421 -4.490 1.770 235 H LEU 30 HN LEU 30 9.627 -2.817 2.922 236 HA LEU 30 HA LEU 30 9.275 -3.640 0.324 237 1HB LEU 30 HB2 LEU 30 6.934 -3.503 0.698 238 2HB LEU 30 HB3 LEU 30 7.657 -3.892 2.248 239 HG LEU 30 HG LEU 30 7.569 -1.291 2.593 240 1HD1 LEU 30 HD11 LEU 30 6.347 -0.063 1.203 241 2HD1 LEU 30 HD12 LEU 30 6.423 -1.428 0.090 242 3HD1 LEU 30 HD13 LEU 30 5.042 -1.252 1.174 243 1HD2 LEU 30 HD21 LEU 30 5.319 -1.534 3.584 244 2HD2 LEU 30 HD22 LEU 30 5.165 -3.091 2.777 245 3HD2 LEU 30 HD23 LEU 30 6.408 -2.855 4.006 246 H MET 31 HN MET 31 8.957 -0.395 1.673 247 HA MET 31 HA MET 31 8.114 0.904 -0.705 248 1HB MET 31 HB2 MET 31 7.957 1.891 1.593 249 2HB MET 31 HB3 MET 31 9.703 2.062 1.598 250 1HG MET 31 HG2 MET 31 9.451 3.521 -0.434 251 2HG MET 31 HG3 MET 31 7.715 3.495 -0.123 252 1HE MET 31 HE1 MET 31 7.839 4.850 3.657 253 2HE MET 31 HE2 MET 31 6.668 4.566 2.370 254 3HE MET 31 HE3 MET 31 7.699 3.249 2.930 255 H ALA 32 HN ALA 32 11.217 -0.086 0.653 256 HA ALA 32 HA ALA 32 12.797 1.416 -1.226 257 1HB ALA 32 HB1 ALA 32 13.347 0.158 1.108 258 2HB ALA 32 HB2 ALA 32 13.989 -1.002 -0.056 259 3HB ALA 32 HB3 ALA 32 14.568 0.663 -0.060 260 H ALA 33 HN ALA 33 11.119 -1.590 -1.299 261 HA ALA 33 HA ALA 33 12.628 -2.898 -3.310 262 1HB ALA 33 HB1 ALA 33 10.911 -3.799 -1.593 263 2HB ALA 33 HB2 ALA 33 9.739 -3.439 -2.861 264 3HB ALA 33 HB3 ALA 33 11.061 -4.560 -3.177 265 H LEU 34 HN LEU 34 9.525 -1.168 -3.420 266 HA LEU 34 HA LEU 34 8.509 -1.492 -5.777 267 1HB LEU 34 HB2 LEU 34 9.104 1.159 -4.528 268 2HB LEU 34 HB3 LEU 34 8.199 1.046 -6.027 269 HG LEU 34 HG LEU 34 6.637 -0.544 -4.770 270 1HD1 LEU 34 HD11 LEU 34 8.448 0.282 -2.613 271 2HD1 LEU 34 HD12 LEU 34 6.728 0.321 -2.230 272 3HD1 LEU 34 HD13 LEU 34 7.472 -1.176 -2.791 273 1HD2 LEU 34 HD21 LEU 34 6.263 1.918 -5.356 274 2HD2 LEU 34 HD22 LEU 34 5.248 1.199 -4.110 275 3HD2 LEU 34 HD23 LEU 34 6.602 2.228 -3.658 276 HA PRO 35 HA PRO 35 11.287 -1.531 -9.164 277 1HB PRO 35 HB2 PRO 35 9.493 -0.260 -10.949 278 2HB PRO 35 HB3 PRO 35 9.719 -1.994 -10.720 279 1HG PRO 35 HG2 PRO 35 7.659 -0.183 -9.557 280 2HG PRO 35 HG3 PRO 35 7.524 -1.887 -10.027 281 1HD PRO 35 HD2 PRO 35 7.672 -1.182 -7.468 282 2HD PRO 35 HD3 PRO 35 8.517 -2.630 -8.058 283 H ASN 36 HN ASN 36 9.547 1.460 -8.472 284 HA ASN 36 HA ASN 36 11.242 3.123 -10.039 285 1HB ASN 36 HB2 ASN 36 9.103 3.972 -9.679 286 2HB ASN 36 HB3 ASN 36 9.124 3.567 -7.968 287 1HD2 ASN 36 HD21 ASN 36 9.175 5.231 -6.727 288 2HD2 ASN 36 HD22 ASN 36 9.946 6.735 -7.035 289 H GLY 37 HN GLY 37 11.421 1.886 -6.798 290 1HA GLY 37 HA1 GLY 37 13.568 1.848 -5.686 291 2HA GLY 37 HA2 GLY 37 13.921 3.408 -6.418 292 HA PRO 38 HA PRO 38 12.276 5.291 -2.751 293 1HB PRO 38 HB2 PRO 38 11.504 7.702 -3.600 294 2HB PRO 38 HB3 PRO 38 13.207 7.224 -3.656 295 1HG PRO 38 HG2 PRO 38 11.187 7.302 -5.856 296 2HG PRO 38 HG3 PRO 38 12.891 7.789 -5.885 297 1HD PRO 38 HD2 PRO 38 11.925 5.365 -6.805 298 2HD PRO 38 HD3 PRO 38 13.603 5.656 -6.314 299 H ASP 39 HN ASP 39 10.438 3.543 -4.186 300 HA ASP 39 HA ASP 39 8.304 2.903 -4.119 301 1HB ASP 39 HB2 ASP 39 8.172 3.406 -1.850 302 2HB ASP 39 HB3 ASP 39 8.185 5.140 -2.117 303 H THR 40 HN THR 40 7.614 3.082 -6.086 304 HA THR 40 HA THR 40 7.100 5.461 -7.499 305 HB THR 40 HB THR 40 7.436 3.498 -8.785 306 HG1 THR 40 HG1 THR 40 5.338 3.347 -9.912 307 1HG2 THR 40 HG21 THR 40 5.718 1.601 -8.639 308 2HG2 THR 40 HG22 THR 40 5.265 2.304 -7.088 309 3HG2 THR 40 HG23 THR 40 6.909 1.719 -7.342 310 H THR 41 HN THR 41 5.370 6.774 -7.558 311 HA THR 41 HA THR 41 3.241 6.363 -5.678 312 HB THR 41 HB THR 41 3.379 8.498 -7.812 313 HG1 THR 41 HG1 THR 41 4.578 8.356 -5.233 314 1HG2 THR 41 HG21 THR 41 1.971 8.282 -5.155 315 2HG2 THR 41 HG22 THR 41 1.224 8.354 -6.752 316 3HG2 THR 41 HG23 THR 41 2.063 9.765 -6.105 317 H CYS 42 HN CYS 42 1.324 5.430 -6.033 318 HA CYS 42 HA CYS 42 0.565 4.859 -8.822 319 1HB CYS 42 HB2 CYS 42 -0.240 3.342 -6.330 320 2HB CYS 42 HB3 CYS 42 -0.623 2.898 -7.992 321 HG CYS 42 HG CYS 42 2.246 2.489 -6.273 322 H LYS 43 HN LYS 43 -0.083 7.336 -7.882 323 HA LYS 43 HA LYS 43 -2.697 7.395 -6.712 324 1HB LYS 43 HB2 LYS 43 -2.610 9.821 -7.204 325 2HB LYS 43 HB3 LYS 43 -1.192 9.258 -6.330 326 1HG LYS 43 HG2 LYS 43 0.061 9.200 -8.448 327 2HG LYS 43 HG3 LYS 43 -1.361 9.833 -9.282 328 1HD LYS 43 HD2 LYS 43 -1.281 11.845 -7.896 329 2HD LYS 43 HD3 LYS 43 0.128 11.208 -7.045 330 1HE LYS 43 HE2 LYS 43 1.388 11.203 -9.144 331 2HE LYS 43 HE3 LYS 43 -0.021 11.837 -9.993 332 1HZ LYS 43 HZ1 LYS 43 0.113 13.759 -8.375 333 2HZ LYS 43 HZ2 LYS 43 1.326 13.680 -9.550 334 3HZ LYS 43 HZ3 LYS 43 1.653 13.191 -7.964 335 H SER 44 HN SER 44 -4.593 7.193 -7.697 336 HA SER 44 HA SER 44 -4.652 7.232 -10.632 337 1HB SER 44 HB2 SER 44 -6.611 6.046 -8.652 338 2HB SER 44 HB3 SER 44 -6.763 5.962 -10.408 339 HG SER 44 HG SER 44 -4.723 4.846 -10.400 340 H GLY 45 HN GLY 45 -5.604 8.865 -11.663 341 1HA GLY 45 HA1 GLY 45 -6.992 10.642 -12.118 342 2HA GLY 45 HA2 GLY 45 -8.000 10.110 -10.782 343 H ASP 46 HN ASP 46 -6.553 10.449 -8.576 344 HA ASP 46 HA ASP 46 -5.022 12.828 -8.472 345 1HB ASP 46 HB2 ASP 46 -6.678 14.194 -7.178 346 2HB ASP 46 HB3 ASP 46 -7.095 13.976 -8.874 347 H VAL 47 HN VAL 47 -7.147 10.597 -6.741 348 HA VAL 47 HA VAL 47 -6.069 11.046 -4.162 349 HB VAL 47 HB VAL 47 -7.408 8.554 -5.233 350 1HG1 VAL 47 HG11 VAL 47 -7.904 9.069 -2.463 351 2HG1 VAL 47 HG12 VAL 47 -7.160 7.660 -3.218 352 3HG1 VAL 47 HG13 VAL 47 -6.165 9.039 -2.752 353 1HG2 VAL 47 HG21 VAL 47 -8.444 11.188 -4.405 354 2HG2 VAL 47 HG22 VAL 47 -9.122 9.995 -5.513 355 3HG2 VAL 47 HG23 VAL 47 -9.306 9.786 -3.771 356 H GLU 48 HN GLU 48 -3.993 10.707 -3.649 357 HA GLU 48 HA GLU 48 -2.475 8.653 -5.026 358 1HB GLU 48 HB2 GLU 48 -1.486 10.878 -4.764 359 2HB GLU 48 HB3 GLU 48 -1.591 10.723 -3.012 360 1HG GLU 48 HG2 GLU 48 0.001 8.950 -3.011 361 2HG GLU 48 HG3 GLU 48 -0.006 8.887 -4.771 362 H LEU 49 HN LEU 49 -1.861 6.789 -4.205 363 HA LEU 49 HA LEU 49 -2.022 6.335 -1.316 364 1HB LEU 49 HB2 LEU 49 -3.179 4.483 -3.405 365 2HB LEU 49 HB3 LEU 49 -3.055 4.126 -1.696 366 HG LEU 49 HG LEU 49 -5.318 4.719 -2.195 367 1HD1 LEU 49 HD11 LEU 49 -4.703 5.454 -0.056 368 2HD1 LEU 49 HD12 LEU 49 -3.798 6.825 -0.693 369 3HD1 LEU 49 HD13 LEU 49 -5.558 6.811 -0.787 370 1HD2 LEU 49 HD21 LEU 49 -5.929 6.237 -3.696 371 2HD2 LEU 49 HD22 LEU 49 -4.954 7.493 -2.935 372 3HD2 LEU 49 HD23 LEU 49 -4.224 6.399 -4.108 373 H LYS 50 HN LYS 50 -0.270 5.285 -0.568 374 HA LYS 50 HA LYS 50 1.130 3.306 -2.020 375 1HB LYS 50 HB2 LYS 50 3.210 4.535 -2.475 376 2HB LYS 50 HB3 LYS 50 1.855 5.220 -3.353 377 1HG LYS 50 HG2 LYS 50 1.663 6.974 -1.623 378 2HG LYS 50 HG3 LYS 50 3.107 6.319 -0.849 379 1HD LYS 50 HD2 LYS 50 4.400 6.755 -2.870 380 2HD LYS 50 HD3 LYS 50 2.957 7.367 -3.675 381 1HE LYS 50 HE2 LYS 50 2.800 9.159 -2.015 382 2HE LYS 50 HE3 LYS 50 4.247 8.546 -1.218 383 1HZ LYS 50 HZ1 LYS 50 4.946 10.303 -2.586 384 2HZ LYS 50 HZ2 LYS 50 4.031 9.771 -3.905 385 3HZ LYS 50 HZ3 LYS 50 5.394 8.899 -3.415 386 H ALA 51 HN ALA 51 3.707 3.683 -0.886 387 HA ALA 51 HA ALA 51 3.187 2.718 1.745 388 1HB ALA 51 HB1 ALA 51 5.841 3.419 0.508 389 2HB ALA 51 HB2 ALA 51 5.562 2.381 1.906 390 3HB ALA 51 HB3 ALA 51 5.013 1.876 0.308 391 H SER 52 HN SER 52 4.770 5.659 0.502 392 HA SER 52 HA SER 52 5.316 6.703 3.076 393 1HB SER 52 HB2 SER 52 6.602 7.410 1.151 394 2HB SER 52 HB3 SER 52 5.162 8.098 0.402 395 HG SER 52 HG SER 52 6.268 9.750 1.404 396 H ASP 53 HN ASP 53 2.761 7.564 0.704 397 HA ASP 53 HA ASP 53 1.560 9.468 2.421 398 1HB ASP 53 HB2 ASP 53 0.501 8.028 -0.008 399 2HB ASP 53 HB3 ASP 53 -0.377 9.307 0.829 400 H ALA 54 HN ALA 54 0.626 6.104 1.643 401 HA ALA 54 HA ALA 54 -1.407 6.246 3.735 402 1HB ALA 54 HB1 ALA 54 -0.864 4.264 1.553 403 2HB ALA 54 HB2 ALA 54 -2.001 3.935 2.858 404 3HB ALA 54 HB3 ALA 54 -2.270 5.302 1.779 405 H GLY 55 HN GLY 55 1.434 4.257 2.902 406 1HA GLY 55 HA1 GLY 55 1.379 2.393 4.909 407 2HA GLY 55 HA2 GLY 55 2.867 3.081 4.284 408 H GLN 56 HN GLN 56 2.090 5.789 5.240 409 HA GLN 56 HA GLN 56 3.491 6.018 7.557 410 1HB GLN 56 HB2 GLN 56 2.078 8.051 8.036 411 2HB GLN 56 HB3 GLN 56 2.787 7.998 6.425 412 1HG GLN 56 HG2 GLN 56 0.649 7.227 5.526 413 2HG GLN 56 HG3 GLN 56 -0.048 7.282 7.144 414 1HE2 GLN 56 HE21 GLN 56 -1.247 8.996 7.484 415 2HE2 GLN 56 HE22 GLN 56 -1.005 10.567 6.808 416 H VAL 57 HN VAL 57 0.162 5.046 7.206 417 HA VAL 57 HA VAL 57 -0.623 5.238 9.899 418 HB VAL 57 HB VAL 57 -2.504 3.814 9.253 419 1HG1 VAL 57 HG11 VAL 57 -3.168 5.847 8.567 420 2HG1 VAL 57 HG12 VAL 57 -1.627 6.186 7.772 421 3HG1 VAL 57 HG13 VAL 57 -2.863 5.233 6.942 422 1HG2 VAL 57 HG21 VAL 57 -0.698 3.165 6.987 423 2HG2 VAL 57 HG22 VAL 57 -1.817 2.133 7.873 424 3HG2 VAL 57 HG23 VAL 57 -2.428 3.254 6.657 425 H LEU 58 HN LEU 58 1.014 2.699 8.102 426 HA LEU 58 HA LEU 58 0.645 0.617 9.973 427 1HB LEU 58 HB2 LEU 58 3.029 0.956 8.158 428 2HB LEU 58 HB3 LEU 58 2.385 -0.543 8.809 429 HG LEU 58 HG LEU 58 1.074 1.218 6.735 430 1HD1 LEU 58 HD11 LEU 58 2.860 -1.074 6.609 431 2HD1 LEU 58 HD12 LEU 58 1.361 -1.316 5.713 432 3HD1 LEU 58 HD13 LEU 58 2.389 0.069 5.353 433 1HD2 LEU 58 HD21 LEU 58 -0.014 -0.813 8.509 434 2HD2 LEU 58 HD22 LEU 58 -0.842 0.348 7.472 435 3HD2 LEU 58 HD23 LEU 58 -0.275 -1.182 6.805 436 H THR 59 HN THR 59 1.497 0.317 11.928 437 HA THR 59 HA THR 59 3.390 2.191 13.000 438 HB THR 59 HB THR 59 3.198 0.908 15.090 439 HG1 THR 59 HG1 THR 59 2.906 -1.172 14.026 440 1HG2 THR 59 HG21 THR 59 0.907 2.007 13.618 441 2HG2 THR 59 HG22 THR 59 1.492 2.370 15.242 442 3HG2 THR 59 HG23 THR 59 0.475 0.956 14.967 443 H ALA 60 HN ALA 60 5.416 1.624 13.998 444 HA ALA 60 HA ALA 60 7.200 0.301 12.373 445 1HB ALA 60 HB1 ALA 60 8.456 0.065 14.745 446 2HB ALA 60 HB2 ALA 60 8.365 1.567 13.828 447 3HB ALA 60 HB3 ALA 60 7.238 1.274 15.153 448 H ASP 61 HN ASP 61 5.445 -0.992 15.168 449 HA ASP 61 HA ASP 61 6.675 -3.482 15.343 450 1HB ASP 61 HB2 ASP 61 3.779 -2.788 15.881 451 2HB ASP 61 HB3 ASP 61 4.599 -4.243 16.440 452 H ASP 62 HN ASP 62 4.515 -2.248 12.964 453 HA ASP 62 HA ASP 62 3.442 -4.678 11.999 454 1HB ASP 62 HB2 ASP 62 3.867 -2.086 10.508 455 2HB ASP 62 HB3 ASP 62 2.791 -3.392 10.037 456 H PHE 63 HN PHE 63 6.634 -3.909 12.028 457 HA PHE 63 HA PHE 63 7.701 -4.095 9.568 458 1HB PHE 63 HB2 PHE 63 8.568 -4.909 12.214 459 2HB PHE 63 HB3 PHE 63 9.249 -5.947 10.966 460 HD1 PHE 63 HD1 PHE 63 8.547 -2.286 11.228 461 HD2 PHE 63 HD2 PHE 63 11.379 -5.357 10.431 462 HE1 PHE 63 HE1 PHE 63 10.248 -0.581 10.738 463 HE2 PHE 63 HE2 PHE 63 13.088 -3.659 9.943 464 HZ PHE 63 HZ PHE 63 12.526 -1.266 10.095 465 HA PRO 64 HA PRO 64 7.321 -8.849 9.133 466 1HB PRO 64 HB2 PRO 64 6.079 -10.272 11.071 467 2HB PRO 64 HB3 PRO 64 7.806 -9.898 11.121 468 1HG PRO 64 HG2 PRO 64 5.534 -8.547 12.529 469 2HG PRO 64 HG3 PRO 64 7.130 -8.998 13.159 470 1HD PRO 64 HD2 PRO 64 6.522 -6.472 12.378 471 2HD PRO 64 HD3 PRO 64 8.155 -7.154 12.235 472 H PHE 65 HN PHE 65 5.767 -7.576 7.766 473 HA PHE 65 HA PHE 65 2.970 -7.722 8.380 474 1HB PHE 65 HB2 PHE 65 4.646 -6.481 6.385 475 2HB PHE 65 HB3 PHE 65 3.268 -7.272 5.624 476 HD1 PHE 65 HD1 PHE 65 4.387 -4.441 7.561 477 HD2 PHE 65 HD2 PHE 65 0.982 -6.666 6.340 478 HE1 PHE 65 HE1 PHE 65 2.935 -2.546 8.154 479 HE2 PHE 65 HE2 PHE 65 -0.478 -4.786 6.924 480 HZ PHE 65 HZ PHE 65 0.498 -2.716 7.834 481 H LYS 66 HN LYS 66 1.434 -9.072 7.566 482 HA LYS 66 HA LYS 66 2.205 -11.695 6.845 483 1HB LYS 66 HB2 LYS 66 0.122 -11.213 8.074 484 2HB LYS 66 HB3 LYS 66 -0.512 -10.391 6.657 485 1HG LYS 66 HG2 LYS 66 -1.522 -12.431 6.474 486 2HG LYS 66 HG3 LYS 66 -0.090 -12.667 5.475 487 1HD LYS 66 HD2 LYS 66 -0.380 -13.517 8.358 488 2HD LYS 66 HD3 LYS 66 -0.522 -14.581 6.959 489 1HE LYS 66 HE2 LYS 66 1.822 -13.937 6.348 490 2HE LYS 66 HE3 LYS 66 1.923 -13.090 7.892 491 1HZ LYS 66 HZ1 LYS 66 2.774 -15.104 8.466 492 2HZ LYS 66 HZ2 LYS 66 1.830 -15.967 7.360 493 3HZ LYS 66 HZ3 LYS 66 1.141 -15.400 8.795 494 H SER 67 HN SER 67 3.578 -10.865 5.032 495 HA SER 67 HA SER 67 4.044 -10.753 2.833 496 1HB SER 67 HB2 SER 67 1.379 -12.139 2.545 497 2HB SER 67 HB3 SER 67 2.627 -12.043 1.303 498 HG SER 67 HG SER 67 2.559 -14.004 2.669 499 H ALA 68 HN ALA 68 3.460 -9.827 0.748 500 HA ALA 68 HA ALA 68 2.595 -7.221 0.914 501 1HB ALA 68 HB1 ALA 68 2.157 -7.686 -1.678 502 2HB ALA 68 HB2 ALA 68 3.772 -7.525 -0.989 503 3HB ALA 68 HB3 ALA 68 3.093 -9.125 -1.280 504 H GLU 69 HN GLU 69 0.675 -10.088 0.559 505 HA GLU 69 HA GLU 69 -1.631 -8.964 -0.553 506 1HB GLU 69 HB2 GLU 69 -2.823 -10.882 0.451 507 2HB GLU 69 HB3 GLU 69 -1.366 -11.360 -0.410 508 1HG GLU 69 HG2 GLU 69 -0.194 -11.429 1.765 509 2HG GLU 69 HG3 GLU 69 -1.738 -11.104 2.548 510 H GLU 70 HN GLU 70 -0.792 -9.410 2.934 511 HA GLU 70 HA GLU 70 -3.182 -8.102 3.735 512 1HB GLU 70 HB2 GLU 70 -2.666 -8.656 5.855 513 2HB GLU 70 HB3 GLU 70 -1.508 -9.716 5.070 514 1HG GLU 70 HG2 GLU 70 0.290 -8.385 5.622 515 2HG GLU 70 HG3 GLU 70 -0.709 -6.944 5.811 516 H VAL 71 HN VAL 71 0.078 -7.056 3.142 517 HA VAL 71 HA VAL 71 -0.130 -4.483 4.278 518 HB VAL 71 HB VAL 71 1.557 -5.357 1.940 519 1HG1 VAL 71 HG11 VAL 71 2.963 -3.486 2.428 520 2HG1 VAL 71 HG12 VAL 71 1.313 -2.886 2.270 521 3HG1 VAL 71 HG13 VAL 71 2.027 -3.090 3.869 522 1HG2 VAL 71 HG21 VAL 71 2.774 -5.109 4.584 523 2HG2 VAL 71 HG22 VAL 71 1.571 -6.391 4.462 524 3HG2 VAL 71 HG23 VAL 71 2.949 -6.372 3.375 525 H ALA 72 HN ALA 72 -0.883 -5.717 1.055 526 HA ALA 72 HA ALA 72 -1.428 -3.262 -0.183 527 1HB ALA 72 HB1 ALA 72 -1.660 -6.028 -0.827 528 2HB ALA 72 HB2 ALA 72 -3.158 -5.214 -1.276 529 3HB ALA 72 HB3 ALA 72 -1.617 -4.639 -1.913 530 H ASP 73 HN ASP 73 -3.650 -5.580 1.373 531 HA ASP 73 HA ASP 73 -5.958 -3.966 1.057 532 1HB ASP 73 HB2 ASP 73 -5.417 -6.179 3.048 533 2HB ASP 73 HB3 ASP 73 -7.000 -5.502 2.681 534 H THR 74 HN THR 74 -3.667 -4.372 3.710 535 HA THR 74 HA THR 74 -4.980 -2.913 5.681 536 HB THR 74 HB THR 74 -2.010 -3.220 5.202 537 HG1 THR 74 HG1 THR 74 -2.438 -4.781 7.027 538 1HG2 THR 74 HG21 THR 74 -1.712 -2.647 7.547 539 2HG2 THR 74 HG22 THR 74 -3.447 -2.386 7.726 540 3HG2 THR 74 HG23 THR 74 -2.497 -1.319 6.693 541 H ILE 75 HN ILE 75 -2.563 -1.773 3.320 542 HA ILE 75 HA ILE 75 -2.515 0.897 4.152 543 HB ILE 75 HB ILE 75 -1.987 -0.261 1.411 544 1HG1 ILE 75 HG12 ILE 75 -0.096 0.533 3.633 545 2HG1 ILE 75 HG13 ILE 75 -0.550 -1.119 3.238 546 1HG2 ILE 75 HG21 ILE 75 -2.480 2.282 1.617 547 2HG2 ILE 75 HG22 ILE 75 -0.886 2.348 2.368 548 3HG2 ILE 75 HG23 ILE 75 -1.060 1.746 0.721 549 1HD1 ILE 75 HD11 ILE 75 0.854 0.758 1.356 550 2HD1 ILE 75 HD12 ILE 75 1.655 -0.453 2.356 551 3HD1 ILE 75 HD13 ILE 75 0.523 -0.955 1.099 552 H VAL 76 HN VAL 76 -4.435 -0.642 1.572 553 HA VAL 76 HA VAL 76 -5.774 1.693 0.760 554 HB VAL 76 HB VAL 76 -7.483 0.145 -0.210 555 1HG1 VAL 76 HG11 VAL 76 -5.631 0.787 -1.563 556 2HG1 VAL 76 HG12 VAL 76 -4.566 -0.362 -0.753 557 3HG1 VAL 76 HG13 VAL 76 -5.871 -0.946 -1.786 558 1HG2 VAL 76 HG21 VAL 76 -6.940 -2.279 -0.170 559 2HG2 VAL 76 HG22 VAL 76 -5.744 -1.948 1.079 560 3HG2 VAL 76 HG23 VAL 76 -7.450 -1.639 1.392 561 H ASN 77 HN ASN 77 -6.661 -0.759 3.168 562 HA ASN 77 HA ASN 77 -9.252 0.126 3.694 563 1HB ASN 77 HB2 ASN 77 -7.263 -1.180 5.556 564 2HB ASN 77 HB3 ASN 77 -8.973 -0.980 5.911 565 1HD2 ASN 77 HD21 ASN 77 -8.938 -1.498 2.691 566 2HD2 ASN 77 HD22 ASN 77 -9.080 -3.216 2.664 567 H LYS 78 HN LYS 78 -6.280 0.928 5.514 568 HA LYS 78 HA LYS 78 -7.587 2.870 7.128 569 1HB LYS 78 HB2 LYS 78 -4.647 2.468 6.590 570 2HB LYS 78 HB3 LYS 78 -5.329 3.423 7.901 571 1HG LYS 78 HG2 LYS 78 -6.432 1.344 8.741 572 2HG LYS 78 HG3 LYS 78 -5.529 0.445 7.523 573 1HD LYS 78 HD2 LYS 78 -4.358 0.309 9.619 574 2HD LYS 78 HD3 LYS 78 -3.428 1.318 8.511 575 1HE LYS 78 HE2 LYS 78 -3.476 2.311 10.728 576 2HE LYS 78 HE3 LYS 78 -4.347 3.325 9.579 577 1HZ LYS 78 HZ1 LYS 78 -5.636 1.394 11.429 578 2HZ LYS 78 HZ2 LYS 78 -6.421 2.488 10.406 579 3HZ LYS 78 HZ3 LYS 78 -5.510 3.059 11.712 580 H ALA 79 HN ALA 79 -5.619 3.038 4.210 581 HA ALA 79 HA ALA 79 -5.338 5.851 4.160 582 1HB ALA 79 HB1 ALA 79 -4.541 5.595 1.927 583 2HB ALA 79 HB2 ALA 79 -3.957 4.218 2.861 584 3HB ALA 79 HB3 ALA 79 -5.324 4.024 1.764 585 H GLY 80 HN GLY 80 -7.897 3.716 3.081 586 1HA GLY 80 HA1 GLY 80 -9.990 5.371 3.112 587 2HA GLY 80 HA2 GLY 80 -9.213 5.859 1.612 588 H LEU 81 HN LEU 81 -8.441 3.661 0.423 589 HA LEU 81 HA LEU 81 -10.877 2.531 -0.515 590 1HB LEU 81 HB2 LEU 81 -8.068 1.620 -1.116 591 2HB LEU 81 HB3 LEU 81 -9.504 1.369 -2.096 592 HG LEU 81 HG LEU 81 -8.403 4.112 -1.501 593 1HD1 LEU 81 HD11 LEU 81 -7.825 2.310 -3.854 594 2HD1 LEU 81 HD12 LEU 81 -7.406 4.020 -3.756 595 3HD1 LEU 81 HD13 LEU 81 -6.670 2.867 -2.642 596 1HD2 LEU 81 HD21 LEU 81 -10.512 4.486 -2.278 597 2HD2 LEU 81 HD22 LEU 81 -9.663 4.364 -3.819 598 3HD2 LEU 81 HD23 LEU 81 -10.565 2.983 -3.197 Start of MODEL 7 1 1H GLY -3 HT1 GLY -3 -20.940 2.135 -11.101 2 2H GLY -3 HT2 GLY -3 -21.362 0.710 -10.295 3 3H GLY -3 HT3 GLY -3 -19.772 0.943 -10.823 4 1HA GLY -3 HA2 GLY -3 -20.927 2.895 -8.966 5 2HA GLY -3 HA1 GLY -3 -20.428 1.333 -8.334 6 H SER -2 HN SER -2 -18.994 3.331 -10.896 7 HA SER -2 HA SER -2 -16.353 2.865 -10.094 8 1HB SER -2 HB2 SER -2 -17.471 5.178 -11.698 9 2HB SER -2 HB3 SER -2 -15.765 4.738 -11.599 10 HG SER -2 HG SER -2 -17.273 3.898 -13.403 11 H HIS -1 HN HIS -1 -18.527 5.581 -9.418 12 HA HIS -1 HA HIS -1 -16.666 7.142 -7.993 13 1HB HIS -1 HB2 HIS -1 -19.681 7.080 -7.717 14 2HB HIS -1 HB3 HIS -1 -18.620 8.379 -7.180 15 HD1 HIS -1 HD1 HIS -1 -17.009 9.220 -9.401 16 HD2 HIS -1 HD2 HIS -1 -20.839 7.745 -10.053 17 HE1 HIS -1 HE1 HIS -1 -17.691 10.094 -11.657 18 HE2 HIS -1 HE2 HIS -1 -20.045 9.261 -11.993 19 H MET 1 HN MET 1 -18.694 7.370 -5.624 20 HA MET 1 HA MET 1 -18.775 6.669 -3.475 21 1HB MET 1 HB2 MET 1 -19.797 4.679 -4.619 22 2HB MET 1 HB3 MET 1 -18.215 3.915 -4.592 23 1HG MET 1 HG2 MET 1 -18.217 4.037 -2.137 24 2HG MET 1 HG3 MET 1 -19.821 4.763 -2.191 25 1HE MET 1 HE1 MET 1 -21.292 2.359 -4.628 26 2HE MET 1 HE2 MET 1 -22.223 2.292 -3.132 27 3HE MET 1 HE3 MET 1 -21.556 3.827 -3.687 28 H LYS 2 HN LYS 2 -16.800 3.949 -3.345 29 HA LYS 2 HA LYS 2 -14.632 5.563 -2.246 30 1HB LYS 2 HB2 LYS 2 -15.662 3.680 -0.935 31 2HB LYS 2 HB3 LYS 2 -14.994 2.567 -2.119 32 1HG LYS 2 HG2 LYS 2 -12.740 3.268 -1.539 33 2HG LYS 2 HG3 LYS 2 -13.388 4.438 -0.389 34 1HD LYS 2 HD2 LYS 2 -12.659 2.460 0.791 35 2HD LYS 2 HD3 LYS 2 -14.417 2.577 0.869 36 1HE LYS 2 HE2 LYS 2 -14.619 0.942 -0.925 37 2HE LYS 2 HE3 LYS 2 -12.863 0.856 -1.060 38 1HZ LYS 2 HZ1 LYS 2 -13.955 0.346 1.581 39 2HZ LYS 2 HZ2 LYS 2 -12.703 -0.437 0.756 40 3HZ LYS 2 HZ3 LYS 2 -14.313 -0.820 0.408 41 H MET 3 HN MET 3 -15.036 5.336 -5.126 42 HA MET 3 HA MET 3 -13.827 5.078 -7.027 43 1HB MET 3 HB2 MET 3 -11.536 4.753 -5.082 44 2HB MET 3 HB3 MET 3 -11.365 5.024 -6.811 45 1HG MET 3 HG2 MET 3 -12.627 6.916 -4.840 46 2HG MET 3 HG3 MET 3 -11.023 7.072 -5.553 47 1HE MET 3 HE1 MET 3 -11.955 9.861 -7.139 48 2HE MET 3 HE2 MET 3 -13.615 9.755 -6.556 49 3HE MET 3 HE3 MET 3 -12.279 9.302 -5.498 50 H GLY 4 HN GLY 4 -13.771 3.423 -8.392 51 1HA GLY 4 HA1 GLY 4 -13.913 0.733 -7.475 52 2HA GLY 4 HA2 GLY 4 -13.797 1.251 -9.150 53 H VAL 5 HN VAL 5 -11.310 2.786 -8.431 54 HA VAL 5 HA VAL 5 -9.428 0.907 -9.261 55 HB VAL 5 HB VAL 5 -9.303 3.468 -9.329 56 1HG1 VAL 5 HG11 VAL 5 -9.415 3.628 -6.797 57 2HG1 VAL 5 HG12 VAL 5 -7.735 3.072 -6.801 58 3HG1 VAL 5 HG13 VAL 5 -8.168 4.596 -7.587 59 1HG2 VAL 5 HG21 VAL 5 -6.812 3.439 -9.353 60 2HG2 VAL 5 HG22 VAL 5 -6.904 1.766 -8.813 61 3HG2 VAL 5 HG23 VAL 5 -7.599 2.233 -10.367 62 H LYS 6 HN LYS 6 -10.824 1.045 -6.195 63 HA LYS 6 HA LYS 6 -8.810 0.814 -4.379 64 1HB LYS 6 HB2 LYS 6 -11.096 0.596 -3.660 65 2HB LYS 6 HB3 LYS 6 -11.316 -0.862 -4.615 66 1HG LYS 6 HG2 LYS 6 -9.657 -1.999 -3.154 67 2HG LYS 6 HG3 LYS 6 -9.617 -0.548 -2.149 68 1HD LYS 6 HD2 LYS 6 -11.965 -0.786 -1.641 69 2HD LYS 6 HD3 LYS 6 -12.104 -2.146 -2.755 70 1HE LYS 6 HE2 LYS 6 -10.566 -3.442 -1.366 71 2HE LYS 6 HE3 LYS 6 -10.412 -2.081 -0.257 72 1HZ LYS 6 HZ1 LYS 6 -12.138 -4.055 0.102 73 2HZ LYS 6 HZ2 LYS 6 -13.117 -3.007 -0.795 74 3HZ LYS 6 HZ3 LYS 6 -12.421 -2.479 0.654 75 H GLU 7 HN GLU 7 -9.982 -1.718 -6.557 76 HA GLU 7 HA GLU 7 -7.924 -3.566 -5.751 77 1HB GLU 7 HB2 GLU 7 -9.886 -3.641 -8.056 78 2HB GLU 7 HB3 GLU 7 -8.778 -4.945 -7.655 79 1HG GLU 7 HG2 GLU 7 -10.972 -5.433 -6.798 80 2HG GLU 7 HG3 GLU 7 -9.852 -5.169 -5.462 81 H ASP 8 HN ASP 8 -8.423 -1.233 -8.340 82 HA ASP 8 HA ASP 8 -6.373 -2.079 -10.040 83 1HB ASP 8 HB2 ASP 8 -7.886 0.423 -9.729 84 2HB ASP 8 HB3 ASP 8 -6.479 0.414 -10.785 85 H ILE 9 HN ILE 9 -6.291 0.509 -7.604 86 HA ILE 9 HA ILE 9 -3.542 1.089 -7.933 87 HB ILE 9 HB ILE 9 -5.534 1.704 -5.758 88 1HG1 ILE 9 HG12 ILE 9 -3.960 3.453 -7.655 89 2HG1 ILE 9 HG13 ILE 9 -5.642 2.983 -7.853 90 1HG2 ILE 9 HG21 ILE 9 -3.439 3.291 -5.101 91 2HG2 ILE 9 HG22 ILE 9 -3.815 1.762 -4.308 92 3HG2 ILE 9 HG23 ILE 9 -2.601 1.816 -5.586 93 1HD1 ILE 9 HD11 ILE 9 -6.119 4.132 -5.680 94 2HD1 ILE 9 HD12 ILE 9 -4.469 4.754 -5.734 95 3HD1 ILE 9 HD13 ILE 9 -5.618 5.189 -7.000 96 H ARG 10 HN ARG 10 -5.387 -0.878 -5.625 97 HA ARG 10 HA ARG 10 -3.267 -1.781 -4.042 98 1HB ARG 10 HB2 ARG 10 -5.832 -2.187 -3.791 99 2HB ARG 10 HB3 ARG 10 -5.571 -3.554 -4.855 100 1HG ARG 10 HG2 ARG 10 -3.924 -4.452 -3.249 101 2HG ARG 10 HG3 ARG 10 -4.313 -3.118 -2.158 102 1HD ARG 10 HD2 ARG 10 -5.534 -5.134 -1.540 103 2HD ARG 10 HD3 ARG 10 -6.637 -3.863 -2.069 104 HE ARG 10 HE ARG 10 -6.020 -5.471 -4.273 105 1HH1 ARG 10 HH12 ARG 10 -7.723 -5.684 -1.234 106 2HH1 ARG 10 HH11 ARG 10 -8.833 -6.887 -1.799 107 1HH2 ARG 10 HH22 ARG 10 -7.479 -7.053 -5.017 108 2HH2 ARG 10 HH21 ARG 10 -8.695 -7.664 -3.945 109 H GLY 11 HN GLY 11 -4.328 -2.638 -7.244 110 1HA GLY 11 HA1 GLY 11 -2.879 -5.080 -7.496 111 2HA GLY 11 HA2 GLY 11 -3.434 -4.065 -8.827 112 H GLN 12 HN GLN 12 -2.177 -1.716 -8.197 113 HA GLN 12 HA GLN 12 0.430 -2.145 -9.237 114 1HB GLN 12 HB2 GLN 12 -0.787 0.334 -8.001 115 2HB GLN 12 HB3 GLN 12 0.689 0.285 -8.948 116 1HG GLN 12 HG2 GLN 12 -0.591 -0.469 -10.894 117 2HG GLN 12 HG3 GLN 12 -2.069 -0.385 -9.937 118 1HE2 GLN 12 HE21 GLN 12 -3.216 1.353 -10.335 119 2HE2 GLN 12 HE22 GLN 12 -2.604 2.913 -10.752 120 H ILE 13 HN ILE 13 -0.920 -1.739 -6.050 121 HA ILE 13 HA ILE 13 1.513 -1.144 -4.698 122 HB ILE 13 HB ILE 13 -1.089 -2.239 -3.631 123 1HG1 ILE 13 HG12 ILE 13 0.055 0.564 -3.625 124 2HG1 ILE 13 HG13 ILE 13 -1.271 0.001 -4.635 125 1HG2 ILE 13 HG21 ILE 13 1.479 -1.572 -2.312 126 2HG2 ILE 13 HG22 ILE 13 -0.005 -1.091 -1.490 127 3HG2 ILE 13 HG23 ILE 13 0.270 -2.786 -1.893 128 1HD1 ILE 13 HD11 ILE 13 -2.002 -0.617 -2.009 129 2HD1 ILE 13 HD12 ILE 13 -1.323 1.011 -1.960 130 3HD1 ILE 13 HD13 ILE 13 -2.663 0.646 -3.048 131 H ILE 14 HN ILE 14 -0.351 -4.122 -5.218 132 HA ILE 14 HA ILE 14 1.228 -5.840 -3.681 133 HB ILE 14 HB ILE 14 -0.517 -6.285 -6.085 134 1HG1 ILE 14 HG12 ILE 14 -1.628 -5.840 -3.964 135 2HG1 ILE 14 HG13 ILE 14 -1.886 -7.518 -4.430 136 1HG2 ILE 14 HG21 ILE 14 1.104 -7.976 -6.406 137 2HG2 ILE 14 HG22 ILE 14 1.193 -8.327 -4.681 138 3HG2 ILE 14 HG23 ILE 14 -0.250 -8.761 -5.596 139 1HD1 ILE 14 HD11 ILE 14 -1.428 -7.654 -2.180 140 2HD1 ILE 14 HD12 ILE 14 0.131 -8.014 -2.917 141 3HD1 ILE 14 HD13 ILE 14 -0.179 -6.411 -2.248 142 H GLY 15 HN GLY 15 1.421 -5.143 -7.181 143 1HA GLY 15 HA1 GLY 15 3.790 -6.652 -7.599 144 2HA GLY 15 HA2 GLY 15 3.168 -5.396 -8.664 145 H ALA 16 HN ALA 16 3.135 -3.339 -6.709 146 HA ALA 16 HA ALA 16 5.694 -2.242 -7.011 147 1HB ALA 16 HB1 ALA 16 3.238 -1.545 -5.483 148 2HB ALA 16 HB2 ALA 16 4.741 -0.733 -5.044 149 3HB ALA 16 HB3 ALA 16 4.125 -0.612 -6.692 150 H LEU 17 HN LEU 17 4.265 -4.169 -4.484 151 HA LEU 17 HA LEU 17 6.373 -3.712 -2.583 152 1HB LEU 17 HB2 LEU 17 3.975 -5.529 -2.668 153 2HB LEU 17 HB3 LEU 17 5.150 -5.597 -1.374 154 HG LEU 17 HG LEU 17 3.705 -3.050 -2.068 155 1HD1 LEU 17 HD11 LEU 17 2.765 -4.518 0.284 156 2HD1 LEU 17 HD12 LEU 17 1.860 -3.629 -0.940 157 3HD1 LEU 17 HD13 LEU 17 2.374 -5.284 -1.256 158 1HD2 LEU 17 HD21 LEU 17 4.544 -3.658 0.685 159 2HD2 LEU 17 HD22 LEU 17 5.858 -3.478 -0.478 160 3HD2 LEU 17 HD23 LEU 17 4.697 -2.172 -0.252 161 H ALA 18 HN ALA 18 5.544 -6.009 -5.041 162 HA ALA 18 HA ALA 18 7.124 -8.186 -4.268 163 1HB ALA 18 HB1 ALA 18 5.460 -7.720 -6.335 164 2HB ALA 18 HB2 ALA 18 7.016 -7.617 -7.160 165 3HB ALA 18 HB3 ALA 18 6.583 -9.078 -6.271 166 H GLY 19 HN GLY 19 9.261 -8.521 -4.188 167 1HA GLY 19 HA1 GLY 19 11.396 -8.257 -5.448 168 2HA GLY 19 HA2 GLY 19 11.001 -6.547 -5.538 169 H ALA 20 HN ALA 20 10.027 -6.320 -2.839 170 HA ALA 20 HA ALA 20 12.312 -5.547 -1.479 171 1HB ALA 20 HB1 ALA 20 9.714 -5.240 -1.014 172 2HB ALA 20 HB2 ALA 20 10.040 -6.526 0.149 173 3HB ALA 20 HB3 ALA 20 10.932 -5.008 0.240 174 H ASP 21 HN ASP 21 12.551 -6.507 0.938 175 HA ASP 21 HA ASP 21 14.002 -8.918 0.687 176 1HB ASP 21 HB2 ASP 21 13.024 -7.226 2.982 177 2HB ASP 21 HB3 ASP 21 13.793 -8.787 3.302 178 H PHE 22 HN PHE 22 12.325 -9.683 3.443 179 HA PHE 22 HA PHE 22 10.983 -11.860 2.300 180 1HB PHE 22 HB2 PHE 22 9.982 -12.258 4.413 181 2HB PHE 22 HB3 PHE 22 11.486 -11.458 4.819 182 HD1 PHE 22 HD1 PHE 22 11.185 -10.257 6.749 183 HD2 PHE 22 HD2 PHE 22 8.137 -10.110 3.795 184 HE1 PHE 22 HE1 PHE 22 9.976 -8.564 8.056 185 HE2 PHE 22 HE2 PHE 22 6.938 -8.395 5.061 186 HZ PHE 22 HZ PHE 22 7.855 -7.647 7.219 187 HA PRO 23 HA PRO 23 7.327 -10.162 0.578 188 1HB PRO 23 HB2 PRO 23 5.174 -11.151 1.937 189 2HB PRO 23 HB3 PRO 23 6.085 -12.070 0.740 190 1HG PRO 23 HG2 PRO 23 6.308 -12.108 3.727 191 2HG PRO 23 HG3 PRO 23 6.292 -13.470 2.587 192 1HD PRO 23 HD2 PRO 23 8.581 -12.557 3.632 193 2HD PRO 23 HD3 PRO 23 8.506 -13.126 1.954 194 H ILE 24 HN ILE 24 8.295 -8.135 1.771 195 HA ILE 24 HA ILE 24 7.346 -6.031 2.223 196 HB ILE 24 HB ILE 24 5.404 -7.507 3.976 197 1HG1 ILE 24 HG12 ILE 24 5.005 -7.923 1.623 198 2HG1 ILE 24 HG13 ILE 24 3.791 -6.790 2.207 199 1HG2 ILE 24 HG21 ILE 24 4.517 -5.544 4.655 200 2HG2 ILE 24 HG22 ILE 24 6.152 -4.966 4.383 201 3HG2 ILE 24 HG23 ILE 24 4.917 -4.724 3.155 202 1HD1 ILE 24 HD11 ILE 24 5.907 -6.444 0.222 203 2HD1 ILE 24 HD12 ILE 24 4.358 -5.620 0.391 204 3HD1 ILE 24 HD13 ILE 24 5.741 -5.106 1.356 205 H ASN 25 HN ASN 25 9.663 -6.325 3.173 206 HA ASN 25 HA ASN 25 9.998 -6.586 5.992 207 1HB ASN 25 HB2 ASN 25 11.639 -5.558 3.733 208 2HB ASN 25 HB3 ASN 25 12.102 -5.063 5.357 209 1HD2 ASN 25 HD21 ASN 25 10.636 -8.126 4.714 210 2HD2 ASN 25 HD22 ASN 25 12.036 -9.083 5.043 211 H SER 26 HN SER 26 7.943 -5.074 6.284 212 HA SER 26 HA SER 26 7.107 -3.101 7.068 213 1HB SER 26 HB2 SER 26 8.503 -1.773 8.454 214 2HB SER 26 HB3 SER 26 9.162 -3.403 8.585 215 HG SER 26 HG SER 26 10.883 -2.832 7.436 216 HA PRO 27 HA PRO 27 7.057 -0.235 3.810 217 1HB PRO 27 HB2 PRO 27 7.429 2.010 5.721 218 2HB PRO 27 HB3 PRO 27 6.165 1.768 4.510 219 1HG PRO 27 HG2 PRO 27 5.672 1.369 7.109 220 2HG PRO 27 HG3 PRO 27 4.955 0.324 5.868 221 1HD PRO 27 HD2 PRO 27 7.232 -0.220 7.717 222 2HD PRO 27 HD3 PRO 27 5.983 -1.323 7.101 223 H GLU 28 HN GLU 28 9.639 0.326 6.155 224 HA GLU 28 HA GLU 28 11.229 2.005 4.629 225 1HB GLU 28 HB2 GLU 28 12.177 -0.275 6.375 226 2HB GLU 28 HB3 GLU 28 13.140 1.107 5.869 227 1HG GLU 28 HG2 GLU 28 10.693 1.213 7.619 228 2HG GLU 28 HG3 GLU 28 12.364 1.332 8.167 229 H GLU 29 HN GLU 29 11.413 -1.569 4.734 230 HA GLU 29 HA GLU 29 13.160 -1.725 2.483 231 1HB GLU 29 HB2 GLU 29 13.003 -3.324 4.378 232 2HB GLU 29 HB3 GLU 29 11.435 -3.813 3.709 233 1HG GLU 29 HG2 GLU 29 13.271 -5.329 3.055 234 2HG GLU 29 HG3 GLU 29 12.498 -4.549 1.675 235 H LEU 30 HN LEU 30 9.812 -2.932 2.954 236 HA LEU 30 HA LEU 30 9.338 -3.761 0.383 237 1HB LEU 30 HB2 LEU 30 7.002 -3.609 0.871 238 2HB LEU 30 HB3 LEU 30 7.824 -4.059 2.351 239 HG LEU 30 HG LEU 30 7.784 -1.497 2.824 240 1HD1 LEU 30 HD11 LEU 30 6.464 -1.511 0.380 241 2HD1 LEU 30 HD12 LEU 30 5.191 -1.283 1.579 242 3HD1 LEU 30 HD13 LEU 30 6.562 -0.174 1.524 243 1HD2 LEU 30 HD21 LEU 30 5.228 -3.060 3.026 244 2HD2 LEU 30 HD22 LEU 30 6.617 -3.289 4.088 245 3HD2 LEU 30 HD23 LEU 30 5.765 -1.747 4.069 246 H MET 31 HN MET 31 8.874 -0.502 1.724 247 HA MET 31 HA MET 31 7.942 0.678 -0.672 248 1HB MET 31 HB2 MET 31 7.965 1.608 1.786 249 2HB MET 31 HB3 MET 31 9.546 2.228 1.324 250 1HG MET 31 HG2 MET 31 8.541 3.465 -0.500 251 2HG MET 31 HG3 MET 31 6.956 2.833 -0.070 252 1HE MET 31 HE1 MET 31 5.937 4.239 3.065 253 2HE MET 31 HE2 MET 31 6.525 2.678 2.499 254 3HE MET 31 HE3 MET 31 7.460 3.597 3.677 255 H ALA 32 HN ALA 32 11.100 -0.109 0.658 256 HA ALA 32 HA ALA 32 12.604 1.482 -1.174 257 1HB ALA 32 HB1 ALA 32 13.145 -0.403 0.941 258 2HB ALA 32 HB2 ALA 32 14.222 -0.654 -0.433 259 3HB ALA 32 HB3 ALA 32 14.130 0.929 0.339 260 H ALA 33 HN ALA 33 11.178 -1.704 -1.306 261 HA ALA 33 HA ALA 33 12.646 -2.683 -3.525 262 1HB ALA 33 HB1 ALA 33 9.873 -3.598 -2.933 263 2HB ALA 33 HB2 ALA 33 11.289 -4.529 -3.423 264 3HB ALA 33 HB3 ALA 33 11.167 -3.909 -1.777 265 H LEU 34 HN LEU 34 9.621 -0.906 -3.219 266 HA LEU 34 HA LEU 34 8.337 -1.112 -5.531 267 1HB LEU 34 HB2 LEU 34 9.047 1.355 -4.004 268 2HB LEU 34 HB3 LEU 34 8.151 1.496 -5.504 269 HG LEU 34 HG LEU 34 6.365 0.092 -4.593 270 1HD1 LEU 34 HD11 LEU 34 6.481 -0.322 -2.067 271 2HD1 LEU 34 HD12 LEU 34 7.395 -1.392 -3.130 272 3HD1 LEU 34 HD13 LEU 34 8.219 -0.103 -2.260 273 1HD2 LEU 34 HD21 LEU 34 5.567 2.091 -4.016 274 2HD2 LEU 34 HD22 LEU 34 6.145 1.743 -2.387 275 3HD2 LEU 34 HD23 LEU 34 7.152 2.660 -3.503 276 HA PRO 35 HA PRO 35 10.835 -0.692 -9.124 277 1HB PRO 35 HB2 PRO 35 9.002 0.906 -10.567 278 2HB PRO 35 HB3 PRO 35 9.144 -0.852 -10.614 279 1HG PRO 35 HG2 PRO 35 7.266 0.858 -9.063 280 2HG PRO 35 HG3 PRO 35 7.010 -0.750 -9.764 281 1HD PRO 35 HD2 PRO 35 7.354 -0.433 -7.137 282 2HD PRO 35 HD3 PRO 35 8.059 -1.825 -7.988 283 H ASN 36 HN ASN 36 9.308 2.179 -7.776 284 HA ASN 36 HA ASN 36 10.962 4.046 -9.160 285 1HB ASN 36 HB2 ASN 36 8.841 4.816 -8.401 286 2HB ASN 36 HB3 ASN 36 9.144 4.251 -6.764 287 1HD2 ASN 36 HD21 ASN 36 9.300 5.866 -5.468 288 2HD2 ASN 36 HD22 ASN 36 10.136 7.342 -5.741 289 H GLY 37 HN GLY 37 11.283 2.172 -6.261 290 1HA GLY 37 HA1 GLY 37 13.503 1.764 -5.410 291 2HA GLY 37 HA2 GLY 37 13.914 3.421 -5.817 292 HA PRO 38 HA PRO 38 12.840 4.610 -1.705 293 1HB PRO 38 HB2 PRO 38 11.803 7.064 -1.936 294 2HB PRO 38 HB3 PRO 38 13.482 6.732 -2.382 295 1HG PRO 38 HG2 PRO 38 11.070 7.003 -4.138 296 2HG PRO 38 HG3 PRO 38 12.703 7.660 -4.371 297 1HD PRO 38 HD2 PRO 38 11.784 5.372 -5.574 298 2HD PRO 38 HD3 PRO 38 13.497 5.694 -5.248 299 H ASP 39 HN ASP 39 10.113 5.369 -3.863 300 HA ASP 39 HA ASP 39 8.230 3.841 -2.549 301 1HB ASP 39 HB2 ASP 39 6.931 5.637 -1.468 302 2HB ASP 39 HB3 ASP 39 8.486 5.373 -0.705 303 H THR 40 HN THR 40 8.030 3.560 -4.955 304 HA THR 40 HA THR 40 7.221 5.566 -6.694 305 HB THR 40 HB THR 40 7.788 3.196 -7.374 306 HG1 THR 40 HG1 THR 40 6.978 4.193 -9.082 307 1HG2 THR 40 HG21 THR 40 5.953 1.570 -7.474 308 2HG2 THR 40 HG22 THR 40 4.924 2.683 -6.574 309 3HG2 THR 40 HG23 THR 40 6.353 1.993 -5.813 310 H THR 41 HN THR 41 5.318 6.598 -7.119 311 HA THR 41 HA THR 41 3.135 6.129 -5.239 312 HB THR 41 HB THR 41 3.409 8.348 -7.275 313 HG1 THR 41 HG1 THR 41 5.071 8.388 -5.658 314 1HG2 THR 41 HG21 THR 41 1.545 7.876 -4.953 315 2HG2 THR 41 HG22 THR 41 1.131 8.158 -6.645 316 3HG2 THR 41 HG23 THR 41 1.789 9.470 -5.668 317 H CYS 42 HN CYS 42 1.553 4.793 -5.793 318 HA CYS 42 HA CYS 42 0.981 4.289 -8.613 319 1HB CYS 42 HB2 CYS 42 -0.117 2.952 -6.126 320 2HB CYS 42 HB3 CYS 42 -0.424 2.441 -7.784 321 HG CYS 42 HG CYS 42 1.382 0.653 -6.631 322 H LYS 43 HN LYS 43 0.327 6.818 -7.921 323 HA LYS 43 HA LYS 43 -2.371 7.080 -7.022 324 1HB LYS 43 HB2 LYS 43 -2.101 9.445 -7.657 325 2HB LYS 43 HB3 LYS 43 -0.782 8.868 -6.647 326 1HG LYS 43 HG2 LYS 43 0.626 8.624 -8.633 327 2HG LYS 43 HG3 LYS 43 -0.698 9.215 -9.638 328 1HD LYS 43 HD2 LYS 43 -0.665 11.342 -8.431 329 2HD LYS 43 HD3 LYS 43 0.652 10.749 -7.418 330 1HE LYS 43 HE2 LYS 43 0.745 11.134 -10.409 331 2HE LYS 43 HE3 LYS 43 1.487 12.188 -9.206 332 1HZ LYS 43 HZ1 LYS 43 2.549 9.851 -8.526 333 2HZ LYS 43 HZ2 LYS 43 3.269 10.906 -9.634 334 3HZ LYS 43 HZ3 LYS 43 2.353 9.594 -10.187 335 H SER 44 HN SER 44 -4.165 6.855 -8.132 336 HA SER 44 HA SER 44 -4.036 6.759 -11.061 337 1HB SER 44 HB2 SER 44 -6.238 5.881 -9.168 338 2HB SER 44 HB3 SER 44 -6.267 5.702 -10.923 339 HG SER 44 HG SER 44 -4.240 4.592 -9.285 340 H GLY 45 HN GLY 45 -4.642 8.530 -12.151 341 1HA GLY 45 HA1 GLY 45 -5.680 10.521 -12.655 342 2HA GLY 45 HA2 GLY 45 -6.971 10.016 -11.573 343 H ASP 46 HN ASP 46 -7.355 11.608 -10.171 344 HA ASP 46 HA ASP 46 -5.276 13.417 -9.335 345 1HB ASP 46 HB2 ASP 46 -7.071 14.504 -8.025 346 2HB ASP 46 HB3 ASP 46 -7.517 14.280 -9.713 347 H VAL 47 HN VAL 47 -7.071 10.747 -7.910 348 HA VAL 47 HA VAL 47 -6.196 11.101 -5.246 349 HB VAL 47 HB VAL 47 -7.047 8.524 -6.570 350 1HG1 VAL 47 HG11 VAL 47 -7.110 7.569 -4.544 351 2HG1 VAL 47 HG12 VAL 47 -5.999 8.858 -4.081 352 3HG1 VAL 47 HG13 VAL 47 -7.725 9.026 -3.764 353 1HG2 VAL 47 HG21 VAL 47 -9.273 9.244 -5.391 354 2HG2 VAL 47 HG22 VAL 47 -8.601 10.864 -5.570 355 3HG2 VAL 47 HG23 VAL 47 -8.869 9.857 -6.993 356 H GLU 48 HN GLU 48 -4.498 10.220 -4.104 357 HA GLU 48 HA GLU 48 -2.519 8.670 -5.629 358 1HB GLU 48 HB2 GLU 48 -1.822 10.814 -3.620 359 2HB GLU 48 HB3 GLU 48 -0.711 9.918 -4.645 360 1HG GLU 48 HG2 GLU 48 -1.641 10.993 -6.619 361 2HG GLU 48 HG3 GLU 48 -2.792 11.866 -5.612 362 H LEU 49 HN LEU 49 -1.867 6.854 -4.656 363 HA LEU 49 HA LEU 49 -1.951 6.655 -1.746 364 1HB LEU 49 HB2 LEU 49 -3.430 4.830 -3.629 365 2HB LEU 49 HB3 LEU 49 -2.962 4.321 -2.020 366 HG LEU 49 HG LEU 49 -5.237 4.988 -1.923 367 1HD1 LEU 49 HD11 LEU 49 -3.564 7.228 -0.799 368 2HD1 LEU 49 HD12 LEU 49 -5.186 6.765 -0.282 369 3HD1 LEU 49 HD13 LEU 49 -3.834 5.661 -0.034 370 1HD2 LEU 49 HD21 LEU 49 -4.569 6.766 -3.957 371 2HD2 LEU 49 HD22 LEU 49 -6.147 6.554 -3.200 372 3HD2 LEU 49 HD23 LEU 49 -5.039 7.784 -2.597 373 H LYS 50 HN LYS 50 -0.254 5.617 -0.951 374 HA LYS 50 HA LYS 50 1.080 3.487 -2.300 375 1HB LYS 50 HB2 LYS 50 3.276 4.670 -2.491 376 2HB LYS 50 HB3 LYS 50 2.051 5.252 -3.614 377 1HG LYS 50 HG2 LYS 50 1.642 7.184 -2.264 378 2HG LYS 50 HG3 LYS 50 2.697 6.567 -0.993 379 1HD LYS 50 HD2 LYS 50 4.621 6.763 -2.444 380 2HD LYS 50 HD3 LYS 50 3.589 7.268 -3.783 381 1HE LYS 50 HE2 LYS 50 3.832 8.758 -1.179 382 2HE LYS 50 HE3 LYS 50 4.766 9.142 -2.626 383 1HZ LYS 50 HZ1 LYS 50 1.801 9.166 -2.448 384 2HZ LYS 50 HZ2 LYS 50 2.720 9.598 -3.800 385 3HZ LYS 50 HZ3 LYS 50 2.790 10.537 -2.395 386 H ALA 51 HN ALA 51 3.182 2.952 -1.073 387 HA ALA 51 HA ALA 51 2.543 2.503 1.606 388 1HB ALA 51 HB1 ALA 51 4.228 1.299 0.079 389 2HB ALA 51 HB2 ALA 51 5.369 2.524 0.629 390 3HB ALA 51 HB3 ALA 51 4.603 1.447 1.796 391 H SER 52 HN SER 52 4.427 5.083 0.108 392 HA SER 52 HA SER 52 5.531 6.110 2.495 393 1HB SER 52 HB2 SER 52 6.468 6.674 0.326 394 2HB SER 52 HB3 SER 52 4.977 7.497 -0.134 395 HG SER 52 HG SER 52 7.018 8.590 1.002 396 H ASP 53 HN ASP 53 2.803 7.400 0.562 397 HA ASP 53 HA ASP 53 2.060 9.264 2.576 398 1HB ASP 53 HB2 ASP 53 0.587 8.272 0.132 399 2HB ASP 53 HB3 ASP 53 0.015 9.580 1.162 400 H ALA 54 HN ALA 54 0.460 6.291 1.418 401 HA ALA 54 HA ALA 54 -1.477 6.365 3.529 402 1HB ALA 54 HB1 ALA 54 -2.169 5.449 1.454 403 2HB ALA 54 HB2 ALA 54 -0.833 4.299 1.441 404 3HB ALA 54 HB3 ALA 54 -2.132 4.127 2.618 405 H GLY 55 HN GLY 55 1.351 4.314 2.830 406 1HA GLY 55 HA1 GLY 55 1.145 2.455 4.836 407 2HA GLY 55 HA2 GLY 55 2.677 3.073 4.254 408 H GLN 56 HN GLN 56 1.834 5.832 5.251 409 HA GLN 56 HA GLN 56 3.272 6.035 7.539 410 1HB GLN 56 HB2 GLN 56 1.989 8.042 8.096 411 2HB GLN 56 HB3 GLN 56 2.333 7.977 6.372 412 1HG GLN 56 HG2 GLN 56 0.071 7.222 5.935 413 2HG GLN 56 HG3 GLN 56 -0.269 7.193 7.662 414 1HE2 GLN 56 HE21 GLN 56 -0.830 8.896 4.981 415 2HE2 GLN 56 HE22 GLN 56 -0.996 10.484 5.641 416 H VAL 57 HN VAL 57 -0.007 4.886 7.254 417 HA VAL 57 HA VAL 57 -0.548 4.893 10.065 418 HB VAL 57 HB VAL 57 -2.612 3.713 9.466 419 1HG1 VAL 57 HG11 VAL 57 -3.293 5.812 9.154 420 2HG1 VAL 57 HG12 VAL 57 -1.740 6.275 8.454 421 3HG1 VAL 57 HG13 VAL 57 -3.000 5.581 7.431 422 1HG2 VAL 57 HG21 VAL 57 -2.227 2.261 7.741 423 2HG2 VAL 57 HG22 VAL 57 -2.922 3.607 6.840 424 3HG2 VAL 57 HG23 VAL 57 -1.174 3.382 6.883 425 H LEU 58 HN LEU 58 1.828 3.290 9.181 426 HA LEU 58 HA LEU 58 0.981 0.749 10.400 427 1HB LEU 58 HB2 LEU 58 3.148 0.976 8.307 428 2HB LEU 58 HB3 LEU 58 2.475 -0.492 8.994 429 HG LEU 58 HG LEU 58 0.988 1.438 7.206 430 1HD1 LEU 58 HD11 LEU 58 2.386 -1.157 6.702 431 2HD1 LEU 58 HD12 LEU 58 1.019 -0.657 5.708 432 3HD1 LEU 58 HD13 LEU 58 2.465 0.350 5.790 433 1HD2 LEU 58 HD21 LEU 58 -0.539 -0.716 7.161 434 2HD2 LEU 58 HD22 LEU 58 0.163 -0.958 8.761 435 3HD2 LEU 58 HD23 LEU 58 -0.728 0.521 8.403 436 H THR 59 HN THR 59 1.873 0.591 12.333 437 HA THR 59 HA THR 59 4.023 2.197 13.220 438 HB THR 59 HB THR 59 3.950 0.856 15.283 439 HG1 THR 59 HG1 THR 59 3.440 -1.166 14.185 440 1HG2 THR 59 HG21 THR 59 2.365 2.664 15.075 441 2HG2 THR 59 HG22 THR 59 1.571 1.299 15.859 442 3HG2 THR 59 HG23 THR 59 1.259 1.640 14.158 443 H ALA 60 HN ALA 60 6.084 1.517 14.028 444 HA ALA 60 HA ALA 60 7.658 0.125 12.236 445 1HB ALA 60 HB1 ALA 60 8.288 1.680 14.228 446 2HB ALA 60 HB2 ALA 60 8.405 0.168 15.128 447 3HB ALA 60 HB3 ALA 60 9.412 0.426 13.704 448 H ASP 61 HN ASP 61 6.035 -1.063 15.142 449 HA ASP 61 HA ASP 61 7.146 -3.605 15.296 450 1HB ASP 61 HB2 ASP 61 4.303 -2.773 15.920 451 2HB ASP 61 HB3 ASP 61 5.070 -4.259 16.467 452 H ASP 62 HN ASP 62 4.950 -2.281 12.997 453 HA ASP 62 HA ASP 62 3.756 -4.668 12.062 454 1HB ASP 62 HB2 ASP 62 4.222 -2.083 10.569 455 2HB ASP 62 HB3 ASP 62 3.074 -3.342 10.135 456 H PHE 63 HN PHE 63 6.969 -3.985 11.989 457 HA PHE 63 HA PHE 63 7.968 -4.182 9.509 458 1HB PHE 63 HB2 PHE 63 8.861 -5.089 12.120 459 2HB PHE 63 HB3 PHE 63 9.488 -6.105 10.827 460 HD1 PHE 63 HD1 PHE 63 8.841 -2.447 11.088 461 HD2 PHE 63 HD2 PHE 63 11.678 -5.541 10.410 462 HE1 PHE 63 HE1 PHE 63 10.562 -0.759 10.611 463 HE2 PHE 63 HE2 PHE 63 13.406 -3.860 9.931 464 HZ PHE 63 HZ PHE 63 12.886 -1.496 10.048 465 HA PRO 64 HA PRO 64 7.397 -8.911 9.018 466 1HB PRO 64 HB2 PRO 64 6.122 -10.305 10.955 467 2HB PRO 64 HB3 PRO 64 7.862 -9.999 10.991 468 1HG PRO 64 HG2 PRO 64 5.659 -8.576 12.439 469 2HG PRO 64 HG3 PRO 64 7.242 -9.098 13.045 470 1HD PRO 64 HD2 PRO 64 6.726 -6.541 12.299 471 2HD PRO 64 HD3 PRO 64 8.330 -7.284 12.133 472 H PHE 65 HN PHE 65 5.879 -7.569 7.680 473 HA PHE 65 HA PHE 65 3.083 -7.605 8.327 474 1HB PHE 65 HB2 PHE 65 4.774 -6.411 6.323 475 2HB PHE 65 HB3 PHE 65 3.394 -7.191 5.556 476 HD1 PHE 65 HD1 PHE 65 4.484 -4.451 7.711 477 HD2 PHE 65 HD2 PHE 65 1.146 -6.451 6.005 478 HE1 PHE 65 HE1 PHE 65 3.049 -2.542 8.286 479 HE2 PHE 65 HE2 PHE 65 -0.297 -4.548 6.570 480 HZ PHE 65 HZ PHE 65 0.654 -2.584 7.713 481 H LYS 66 HN LYS 66 1.511 -8.947 7.575 482 HA LYS 66 HA LYS 66 2.211 -11.581 6.836 483 1HB LYS 66 HB2 LYS 66 0.149 -10.984 8.086 484 2HB LYS 66 HB3 LYS 66 -0.490 -10.255 6.623 485 1HG LYS 66 HG2 LYS 66 -1.411 -12.471 6.963 486 2HG LYS 66 HG3 LYS 66 -0.428 -12.412 5.498 487 1HD LYS 66 HD2 LYS 66 1.443 -13.419 6.716 488 2HD LYS 66 HD3 LYS 66 0.459 -13.479 8.180 489 1HE LYS 66 HE2 LYS 66 -0.122 -14.910 5.588 490 2HE LYS 66 HE3 LYS 66 0.515 -15.648 7.057 491 1HZ LYS 66 HZ1 LYS 66 -2.192 -14.877 6.403 492 2HZ LYS 66 HZ2 LYS 66 -1.704 -14.444 7.963 493 3HZ LYS 66 HZ3 LYS 66 -1.631 -16.061 7.474 494 H SER 67 HN SER 67 3.585 -10.751 5.006 495 HA SER 67 HA SER 67 4.035 -10.665 2.804 496 1HB SER 67 HB2 SER 67 1.325 -11.958 2.512 497 2HB SER 67 HB3 SER 67 2.596 -11.925 1.288 498 HG SER 67 HG SER 67 3.684 -13.407 2.351 499 H ALA 68 HN ALA 68 3.520 -9.668 0.760 500 HA ALA 68 HA ALA 68 2.690 -7.052 0.962 501 1HB ALA 68 HB1 ALA 68 2.244 -7.612 -1.678 502 2HB ALA 68 HB2 ALA 68 3.809 -7.212 -0.965 503 3HB ALA 68 HB3 ALA 68 3.349 -8.899 -1.195 504 H GLU 69 HN GLU 69 0.763 -9.900 0.391 505 HA GLU 69 HA GLU 69 -1.523 -8.701 -0.665 506 1HB GLU 69 HB2 GLU 69 -2.739 -10.673 0.230 507 2HB GLU 69 HB3 GLU 69 -1.299 -11.095 -0.687 508 1HG GLU 69 HG2 GLU 69 -0.091 -11.347 1.443 509 2HG GLU 69 HG3 GLU 69 -1.603 -11.037 2.290 510 H GLU 70 HN GLU 70 -0.674 -9.302 2.787 511 HA GLU 70 HA GLU 70 -3.089 -8.127 3.683 512 1HB GLU 70 HB2 GLU 70 -2.464 -8.642 5.788 513 2HB GLU 70 HB3 GLU 70 -1.308 -9.660 4.948 514 1HG GLU 70 HG2 GLU 70 0.468 -8.352 5.511 515 2HG GLU 70 HG3 GLU 70 -0.502 -6.880 5.572 516 H VAL 71 HN VAL 71 0.094 -6.884 2.995 517 HA VAL 71 HA VAL 71 -0.234 -4.341 4.176 518 HB VAL 71 HB VAL 71 1.401 -5.069 1.744 519 1HG1 VAL 71 HG11 VAL 71 1.166 -2.582 3.366 520 2HG1 VAL 71 HG12 VAL 71 2.747 -3.033 2.728 521 3HG1 VAL 71 HG13 VAL 71 1.392 -2.778 1.628 522 1HG2 VAL 71 HG21 VAL 71 2.555 -4.655 4.452 523 2HG2 VAL 71 HG22 VAL 71 1.749 -6.184 4.100 524 3HG2 VAL 71 HG23 VAL 71 3.114 -5.662 3.125 525 H ALA 72 HN ALA 72 -0.961 -5.533 0.916 526 HA ALA 72 HA ALA 72 -1.742 -3.141 -0.263 527 1HB ALA 72 HB1 ALA 72 -3.454 -5.134 -1.272 528 2HB ALA 72 HB2 ALA 72 -1.940 -4.552 -1.965 529 3HB ALA 72 HB3 ALA 72 -1.936 -5.932 -0.867 530 H ASP 73 HN ASP 73 -3.742 -5.515 1.487 531 HA ASP 73 HA ASP 73 -6.130 -3.979 1.284 532 1HB ASP 73 HB2 ASP 73 -5.402 -6.198 3.207 533 2HB ASP 73 HB3 ASP 73 -7.023 -5.554 2.970 534 H THR 74 HN THR 74 -3.676 -4.340 3.795 535 HA THR 74 HA THR 74 -4.918 -2.903 5.836 536 HB THR 74 HB THR 74 -1.960 -3.139 5.250 537 HG1 THR 74 HG1 THR 74 -2.390 -5.156 5.740 538 1HG2 THR 74 HG21 THR 74 -3.261 -2.635 7.920 539 2HG2 THR 74 HG22 THR 74 -2.659 -1.335 6.891 540 3HG2 THR 74 HG23 THR 74 -1.548 -2.556 7.510 541 H ILE 75 HN ILE 75 -2.580 -1.743 3.401 542 HA ILE 75 HA ILE 75 -2.529 0.923 4.254 543 HB ILE 75 HB ILE 75 -2.049 -0.198 1.490 544 1HG1 ILE 75 HG12 ILE 75 -0.134 0.509 3.724 545 2HG1 ILE 75 HG13 ILE 75 -0.573 -1.121 3.230 546 1HG2 ILE 75 HG21 ILE 75 -0.924 1.839 0.945 547 2HG2 ILE 75 HG22 ILE 75 -2.529 2.260 1.543 548 3HG2 ILE 75 HG23 ILE 75 -1.121 2.449 2.588 549 1HD1 ILE 75 HD11 ILE 75 0.804 0.881 1.459 550 2HD1 ILE 75 HD12 ILE 75 1.622 -0.379 2.383 551 3HD1 ILE 75 HD13 ILE 75 0.491 -0.818 1.102 552 H VAL 76 HN VAL 76 -4.402 -0.545 1.590 553 HA VAL 76 HA VAL 76 -5.784 1.778 0.872 554 HB VAL 76 HB VAL 76 -7.488 0.213 -0.127 555 1HG1 VAL 76 HG11 VAL 76 -5.118 0.987 -1.050 556 2HG1 VAL 76 HG12 VAL 76 -4.824 -0.752 -1.001 557 3HG1 VAL 76 HG13 VAL 76 -6.166 -0.110 -1.949 558 1HG2 VAL 76 HG21 VAL 76 -7.592 -1.772 0.943 559 2HG2 VAL 76 HG22 VAL 76 -6.306 -2.209 -0.184 560 3HG2 VAL 76 HG23 VAL 76 -5.908 -1.703 1.457 561 H ASN 77 HN ASN 77 -6.603 -0.725 3.244 562 HA ASN 77 HA ASN 77 -9.213 0.122 3.810 563 1HB ASN 77 HB2 ASN 77 -7.163 -1.268 5.542 564 2HB ASN 77 HB3 ASN 77 -8.825 -0.992 6.050 565 1HD2 ASN 77 HD21 ASN 77 -8.928 -1.477 2.776 566 2HD2 ASN 77 HD22 ASN 77 -9.232 -3.174 2.760 567 H LYS 78 HN LYS 78 -6.199 0.894 5.543 568 HA LYS 78 HA LYS 78 -7.437 2.784 7.269 569 1HB LYS 78 HB2 LYS 78 -4.543 2.284 6.591 570 2HB LYS 78 HB3 LYS 78 -5.086 3.370 7.865 571 1HG LYS 78 HG2 LYS 78 -6.133 1.516 9.033 572 2HG LYS 78 HG3 LYS 78 -5.656 0.415 7.739 573 1HD LYS 78 HD2 LYS 78 -3.321 0.788 8.230 574 2HD LYS 78 HD3 LYS 78 -3.737 2.001 9.443 575 1HE LYS 78 HE2 LYS 78 -3.175 -0.135 10.483 576 2HE LYS 78 HE3 LYS 78 -4.859 0.295 10.775 577 1HZ LYS 78 HZ1 LYS 78 -3.914 -2.064 9.721 578 2HZ LYS 78 HZ2 LYS 78 -4.600 -1.251 8.405 579 3HZ LYS 78 HZ3 LYS 78 -5.527 -1.557 9.785 580 H ALA 79 HN ALA 79 -5.537 3.070 4.302 581 HA ALA 79 HA ALA 79 -5.326 5.890 4.339 582 1HB ALA 79 HB1 ALA 79 -4.007 4.164 2.955 583 2HB ALA 79 HB2 ALA 79 -5.333 4.300 1.801 584 3HB ALA 79 HB3 ALA 79 -4.381 5.724 2.224 585 H GLY 80 HN GLY 80 -7.840 3.730 3.199 586 1HA GLY 80 HA1 GLY 80 -9.967 5.347 3.279 587 2HA GLY 80 HA2 GLY 80 -9.202 5.878 1.786 588 H LEU 81 HN LEU 81 -8.415 3.769 0.516 589 HA LEU 81 HA LEU 81 -10.808 2.598 -0.448 590 1HB LEU 81 HB2 LEU 81 -7.966 1.769 -1.020 591 2HB LEU 81 HB3 LEU 81 -9.377 1.461 -2.017 592 HG LEU 81 HG LEU 81 -8.393 4.245 -1.406 593 1HD1 LEU 81 HD11 LEU 81 -7.358 4.203 -3.638 594 2HD1 LEU 81 HD12 LEU 81 -6.605 3.049 -2.536 595 3HD1 LEU 81 HD13 LEU 81 -7.732 2.484 -3.770 596 1HD2 LEU 81 HD21 LEU 81 -10.605 4.351 -2.150 597 2HD2 LEU 81 HD22 LEU 81 -9.651 4.622 -3.610 598 3HD2 LEU 81 HD23 LEU 81 -10.378 3.044 -3.311 Start of MODEL 8 1 1H GLY -3 HT1 GLY -3 -19.224 -6.498 -0.047 2 2H GLY -3 HT2 GLY -3 -18.625 -4.919 0.033 3 3H GLY -3 HT3 GLY -3 -20.176 -5.205 -0.579 4 1HA GLY -3 HA2 GLY -3 -20.173 -6.342 1.932 5 2HA GLY -3 HA1 GLY -3 -19.348 -4.800 2.109 6 H SER -2 HN SER -2 -22.014 -5.755 -0.031 7 HA SER -2 HA SER -2 -24.153 -5.023 -0.242 8 1HB SER -2 HB2 SER -2 -24.402 -5.517 2.149 9 2HB SER -2 HB3 SER -2 -23.769 -3.921 2.553 10 HG SER -2 HG SER -2 -25.572 -3.042 1.400 11 H HIS -1 HN HIS -1 -22.307 -2.483 1.482 12 HA HIS -1 HA HIS -1 -23.619 -0.325 0.255 13 1HB HIS -1 HB2 HIS -1 -20.867 -0.506 1.494 14 2HB HIS -1 HB3 HIS -1 -21.616 1.003 0.984 15 HD1 HIS -1 HD1 HIS -1 -22.625 -1.908 3.242 16 HD2 HIS -1 HD2 HIS -1 -22.806 2.238 3.055 17 HE1 HIS -1 HE1 HIS -1 -23.744 -1.188 5.374 18 HE2 HIS -1 HE2 HIS -1 -23.757 1.330 5.281 19 H MET 1 HN MET 1 -23.362 0.687 -1.642 20 HA MET 1 HA MET 1 -21.960 -0.553 -3.742 21 1HB MET 1 HB2 MET 1 -22.556 1.466 -5.056 22 2HB MET 1 HB3 MET 1 -23.924 0.758 -4.211 23 1HG MET 1 HG2 MET 1 -24.180 3.052 -3.932 24 2HG MET 1 HG3 MET 1 -23.505 2.497 -2.404 25 1HE MET 1 HE1 MET 1 -22.792 3.861 -5.850 26 2HE MET 1 HE2 MET 1 -21.359 4.874 -5.676 27 3HE MET 1 HE3 MET 1 -21.195 3.120 -5.762 28 H LYS 2 HN LYS 2 -20.089 -0.021 -4.828 29 HA LYS 2 HA LYS 2 -18.490 2.220 -4.346 30 1HB LYS 2 HB2 LYS 2 -18.215 1.256 -2.107 31 2HB LYS 2 HB3 LYS 2 -17.623 -0.240 -2.811 32 1HG LYS 2 HG2 LYS 2 -15.682 0.934 -3.703 33 2HG LYS 2 HG3 LYS 2 -16.289 2.452 -3.042 34 1HD LYS 2 HD2 LYS 2 -16.145 1.515 -0.780 35 2HD LYS 2 HD3 LYS 2 -15.524 0.006 -1.449 36 1HE LYS 2 HE2 LYS 2 -13.573 1.177 -2.319 37 2HE LYS 2 HE3 LYS 2 -14.204 2.706 -1.706 38 1HZ LYS 2 HZ1 LYS 2 -13.193 0.393 -0.168 39 2HZ LYS 2 HZ2 LYS 2 -14.161 1.579 0.550 40 3HZ LYS 2 HZ3 LYS 2 -12.666 2.000 -0.120 41 H MET 3 HN MET 3 -16.621 -0.672 -4.326 42 HA MET 3 HA MET 3 -15.222 -1.562 -5.865 43 1HB MET 3 HB2 MET 3 -16.295 -2.447 -7.884 44 2HB MET 3 HB3 MET 3 -17.251 -2.757 -6.443 45 1HG MET 3 HG2 MET 3 -18.775 -0.988 -7.018 46 2HG MET 3 HG3 MET 3 -17.775 -0.529 -8.396 47 1HE MET 3 HE1 MET 3 -20.192 -0.461 -9.065 48 2HE MET 3 HE2 MET 3 -20.310 -1.457 -10.516 49 3HE MET 3 HE3 MET 3 -21.283 -1.846 -9.097 50 H GLY 4 HN GLY 4 -13.612 -0.837 -7.065 51 1HA GLY 4 HA1 GLY 4 -13.815 0.716 -9.373 52 2HA GLY 4 HA2 GLY 4 -13.566 1.819 -8.029 53 H VAL 5 HN VAL 5 -11.521 2.495 -8.302 54 HA VAL 5 HA VAL 5 -9.426 0.799 -9.217 55 HB VAL 5 HB VAL 5 -9.583 3.368 -9.344 56 1HG1 VAL 5 HG11 VAL 5 -8.535 4.622 -7.614 57 2HG1 VAL 5 HG12 VAL 5 -9.719 3.578 -6.825 58 3HG1 VAL 5 HG13 VAL 5 -8.004 3.144 -6.797 59 1HG2 VAL 5 HG21 VAL 5 -7.763 2.280 -10.353 60 2HG2 VAL 5 HG22 VAL 5 -7.106 3.590 -9.378 61 3HG2 VAL 5 HG23 VAL 5 -7.023 1.933 -8.787 62 H LYS 6 HN LYS 6 -10.938 0.953 -6.215 63 HA LYS 6 HA LYS 6 -8.947 0.940 -4.341 64 1HB LYS 6 HB2 LYS 6 -11.279 0.639 -3.713 65 2HB LYS 6 HB3 LYS 6 -11.328 -0.924 -4.516 66 1HG LYS 6 HG2 LYS 6 -9.728 -1.810 -2.898 67 2HG LYS 6 HG3 LYS 6 -9.672 -0.241 -2.094 68 1HD LYS 6 HD2 LYS 6 -12.059 -0.412 -1.592 69 2HD LYS 6 HD3 LYS 6 -12.121 -1.977 -2.406 70 1HE LYS 6 HE2 LYS 6 -10.528 -2.880 -0.781 71 2HE LYS 6 HE3 LYS 6 -10.471 -1.317 0.032 72 1HZ LYS 6 HZ1 LYS 6 -12.098 -3.287 0.756 73 2HZ LYS 6 HZ2 LYS 6 -13.113 -2.468 -0.320 74 3HZ LYS 6 HZ3 LYS 6 -12.455 -1.653 1.008 75 H GLU 7 HN GLU 7 -10.031 -1.798 -6.310 76 HA GLU 7 HA GLU 7 -7.827 -3.447 -5.473 77 1HB GLU 7 HB2 GLU 7 -9.854 -3.847 -7.686 78 2HB GLU 7 HB3 GLU 7 -8.701 -5.056 -7.138 79 1HG GLU 7 HG2 GLU 7 -9.744 -5.051 -4.930 80 2HG GLU 7 HG3 GLU 7 -10.899 -3.838 -5.480 81 H ASP 8 HN ASP 8 -8.488 -1.227 -8.102 82 HA ASP 8 HA ASP 8 -6.557 -2.178 -9.905 83 1HB ASP 8 HB2 ASP 8 -8.324 -0.764 -10.669 84 2HB ASP 8 HB3 ASP 8 -7.742 0.539 -9.661 85 H ILE 9 HN ILE 9 -6.366 0.546 -7.632 86 HA ILE 9 HA ILE 9 -3.610 1.060 -8.118 87 HB ILE 9 HB ILE 9 -5.575 1.970 -6.032 88 1HG1 ILE 9 HG12 ILE 9 -3.854 3.450 -8.029 89 2HG1 ILE 9 HG13 ILE 9 -5.550 3.048 -8.244 90 1HG2 ILE 9 HG21 ILE 9 -2.631 1.995 -5.805 91 2HG2 ILE 9 HG22 ILE 9 -3.457 3.504 -5.419 92 3HG2 ILE 9 HG23 ILE 9 -3.870 2.027 -4.549 93 1HD1 ILE 9 HD11 ILE 9 -4.920 5.416 -7.487 94 2HD1 ILE 9 HD12 ILE 9 -6.247 4.593 -6.668 95 3HD1 ILE 9 HD13 ILE 9 -4.659 4.677 -5.908 96 H ARG 10 HN ARG 10 -5.445 -0.631 -5.615 97 HA ARG 10 HA ARG 10 -3.328 -1.438 -3.969 98 1HB ARG 10 HB2 ARG 10 -5.881 -1.715 -3.623 99 2HB ARG 10 HB3 ARG 10 -5.742 -3.147 -4.621 100 1HG ARG 10 HG2 ARG 10 -4.063 -2.809 -2.169 101 2HG ARG 10 HG3 ARG 10 -5.715 -3.418 -2.079 102 1HD ARG 10 HD2 ARG 10 -3.427 -4.612 -3.635 103 2HD ARG 10 HD3 ARG 10 -4.172 -5.265 -2.181 104 HE ARG 10 HE ARG 10 -5.073 -5.619 -4.836 105 1HH1 ARG 10 HH12 ARG 10 -6.236 -5.180 -1.574 106 2HH1 ARG 10 HH11 ARG 10 -7.758 -5.942 -1.882 107 1HH2 ARG 10 HH22 ARG 10 -7.073 -6.628 -5.239 108 2HH2 ARG 10 HH21 ARG 10 -8.233 -6.767 -3.960 109 H GLY 11 HN GLY 11 -4.508 -2.564 -7.049 110 1HA GLY 11 HA1 GLY 11 -3.102 -5.036 -7.154 111 2HA GLY 11 HA2 GLY 11 -3.644 -4.099 -8.548 112 H GLN 12 HN GLN 12 -2.347 -1.744 -8.103 113 HA GLN 12 HA GLN 12 0.227 -2.232 -9.153 114 1HB GLN 12 HB2 GLN 12 -0.851 0.275 -7.844 115 2HB GLN 12 HB3 GLN 12 0.570 0.179 -8.869 116 1HG GLN 12 HG2 GLN 12 -0.858 -0.523 -10.744 117 2HG GLN 12 HG3 GLN 12 -2.270 -0.337 -9.703 118 1HE2 GLN 12 HE21 GLN 12 -3.322 1.467 -10.054 119 2HE2 GLN 12 HE22 GLN 12 -2.635 2.984 -10.512 120 H ILE 13 HN ILE 13 -1.042 -1.821 -5.935 121 HA ILE 13 HA ILE 13 1.421 -1.310 -4.613 122 HB ILE 13 HB ILE 13 -1.149 -2.433 -3.495 123 1HG1 ILE 13 HG12 ILE 13 -0.086 0.399 -3.568 124 2HG1 ILE 13 HG13 ILE 13 -1.433 -0.220 -4.516 125 1HG2 ILE 13 HG21 ILE 13 0.137 -1.078 -1.474 126 2HG2 ILE 13 HG22 ILE 13 0.080 -2.829 -1.673 127 3HG2 ILE 13 HG23 ILE 13 1.453 -1.915 -2.298 128 1HD1 ILE 13 HD11 ILE 13 -2.230 -0.840 -2.002 129 2HD1 ILE 13 HD12 ILE 13 -1.332 0.653 -1.728 130 3HD1 ILE 13 HD13 ILE 13 -2.678 0.630 -2.868 131 H ILE 14 HN ILE 14 -0.464 -4.249 -5.234 132 HA ILE 14 HA ILE 14 1.068 -6.031 -3.725 133 HB ILE 14 HB ILE 14 -0.674 -6.352 -6.143 134 1HG1 ILE 14 HG12 ILE 14 -1.658 -6.073 -3.880 135 2HG1 ILE 14 HG13 ILE 14 -2.066 -7.623 -4.609 136 1HG2 ILE 14 HG21 ILE 14 1.003 -7.981 -6.597 137 2HG2 ILE 14 HG22 ILE 14 1.039 -8.506 -4.913 138 3HG2 ILE 14 HG23 ILE 14 -0.377 -8.838 -5.910 139 1HD1 ILE 14 HD11 ILE 14 0.340 -7.801 -3.027 140 2HD1 ILE 14 HD12 ILE 14 -1.022 -7.194 -2.086 141 3HD1 ILE 14 HD13 ILE 14 -1.151 -8.736 -2.931 142 H GLY 15 HN GLY 15 1.338 -5.228 -7.197 143 1HA GLY 15 HA1 GLY 15 3.718 -6.741 -7.592 144 2HA GLY 15 HA2 GLY 15 3.101 -5.487 -8.663 145 H ALA 16 HN ALA 16 3.056 -3.399 -6.770 146 HA ALA 16 HA ALA 16 5.646 -2.356 -7.029 147 1HB ALA 16 HB1 ALA 16 4.004 -0.743 -6.873 148 2HB ALA 16 HB2 ALA 16 3.188 -1.543 -5.524 149 3HB ALA 16 HB3 ALA 16 4.710 -0.686 -5.258 150 H LEU 17 HN LEU 17 4.149 -4.244 -4.531 151 HA LEU 17 HA LEU 17 6.179 -3.698 -2.559 152 1HB LEU 17 HB2 LEU 17 3.770 -5.489 -2.682 153 2HB LEU 17 HB3 LEU 17 4.924 -5.606 -1.371 154 HG LEU 17 HG LEU 17 3.495 -3.046 -2.071 155 1HD1 LEU 17 HD11 LEU 17 2.321 -3.793 0.214 156 2HD1 LEU 17 HD12 LEU 17 1.661 -4.169 -1.377 157 3HD1 LEU 17 HD13 LEU 17 2.594 -5.380 -0.502 158 1HD2 LEU 17 HD21 LEU 17 5.703 -3.488 -0.504 159 2HD2 LEU 17 HD22 LEU 17 4.613 -2.108 -0.376 160 3HD2 LEU 17 HD23 LEU 17 4.389 -3.511 0.673 161 H ALA 18 HN ALA 18 5.452 -6.076 -4.978 162 HA ALA 18 HA ALA 18 7.078 -8.185 -4.070 163 1HB ALA 18 HB1 ALA 18 6.930 -7.790 -6.988 164 2HB ALA 18 HB2 ALA 18 6.543 -9.206 -6.010 165 3HB ALA 18 HB3 ALA 18 5.383 -7.884 -6.144 166 H GLY 19 HN GLY 19 9.230 -8.482 -4.038 167 1HA GLY 19 HA1 GLY 19 11.337 -8.206 -5.337 168 2HA GLY 19 HA2 GLY 19 10.890 -6.514 -5.495 169 H ALA 20 HN ALA 20 9.935 -6.265 -2.764 170 HA ALA 20 HA ALA 20 12.196 -5.312 -1.481 171 1HB ALA 20 HB1 ALA 20 10.021 -6.383 0.223 172 2HB ALA 20 HB2 ALA 20 10.823 -4.812 0.259 173 3HB ALA 20 HB3 ALA 20 9.596 -5.147 -0.962 174 H ASP 21 HN ASP 21 12.519 -6.193 0.967 175 HA ASP 21 HA ASP 21 14.137 -8.495 0.749 176 1HB ASP 21 HB2 ASP 21 13.003 -6.925 3.061 177 2HB ASP 21 HB3 ASP 21 13.958 -8.383 3.346 178 H PHE 22 HN PHE 22 12.305 -9.161 3.513 179 HA PHE 22 HA PHE 22 11.219 -11.521 2.384 180 1HB PHE 22 HB2 PHE 22 10.191 -11.922 4.486 181 2HB PHE 22 HB3 PHE 22 11.655 -11.049 4.885 182 HD1 PHE 22 HD1 PHE 22 11.280 -9.752 6.783 183 HD2 PHE 22 HD2 PHE 22 8.267 -9.935 3.797 184 HE1 PHE 22 HE1 PHE 22 9.956 -8.161 8.082 185 HE2 PHE 22 HE2 PHE 22 6.932 -8.308 5.069 186 HZ PHE 22 HZ PHE 22 7.820 -7.414 7.231 187 HA PRO 23 HA PRO 23 7.487 -10.038 0.610 188 1HB PRO 23 HB2 PRO 23 5.347 -11.114 1.896 189 2HB PRO 23 HB3 PRO 23 6.367 -12.021 0.780 190 1HG PRO 23 HG2 PRO 23 6.410 -11.964 3.769 191 2HG PRO 23 HG3 PRO 23 6.569 -13.348 2.672 192 1HD PRO 23 HD2 PRO 23 8.698 -12.190 3.863 193 2HD PRO 23 HD3 PRO 23 8.801 -12.918 2.250 194 H ILE 24 HN ILE 24 8.374 -7.983 1.879 195 HA ILE 24 HA ILE 24 7.325 -5.899 2.246 196 HB ILE 24 HB ILE 24 5.377 -7.429 3.945 197 1HG1 ILE 24 HG12 ILE 24 5.091 -7.798 1.551 198 2HG1 ILE 24 HG13 ILE 24 3.794 -6.770 2.152 199 1HG2 ILE 24 HG21 ILE 24 4.541 -4.779 3.270 200 2HG2 ILE 24 HG22 ILE 24 4.734 -5.509 4.857 201 3HG2 ILE 24 HG23 ILE 24 6.098 -4.715 4.086 202 1HD1 ILE 24 HD11 ILE 24 5.664 -4.942 1.415 203 2HD1 ILE 24 HD12 ILE 24 5.899 -6.216 0.218 204 3HD1 ILE 24 HD13 ILE 24 4.312 -5.480 0.420 205 H ASN 25 HN ASN 25 9.623 -6.256 3.260 206 HA ASN 25 HA ASN 25 9.929 -6.460 6.064 207 1HB ASN 25 HB2 ASN 25 11.560 -5.471 3.793 208 2HB ASN 25 HB3 ASN 25 12.023 -4.933 5.411 209 1HD2 ASN 25 HD21 ASN 25 13.535 -6.088 6.270 210 2HD2 ASN 25 HD22 ASN 25 13.755 -7.796 6.098 211 H SER 26 HN SER 26 7.902 -4.996 6.457 212 HA SER 26 HA SER 26 7.055 -3.040 7.266 213 1HB SER 26 HB2 SER 26 8.508 -1.640 8.567 214 2HB SER 26 HB3 SER 26 9.083 -3.294 8.770 215 HG SER 26 HG SER 26 10.208 -1.206 7.253 216 HA PRO 27 HA PRO 27 6.795 -0.241 3.953 217 1HB PRO 27 HB2 PRO 27 7.100 2.003 5.889 218 2HB PRO 27 HB3 PRO 27 5.860 1.751 4.655 219 1HG PRO 27 HG2 PRO 27 5.352 1.292 7.245 220 2HG PRO 27 HG3 PRO 27 4.658 0.273 5.972 221 1HD PRO 27 HD2 PRO 27 6.873 -0.314 7.867 222 2HD PRO 27 HD3 PRO 27 5.695 -1.415 7.122 223 H GLU 28 HN GLU 28 9.357 0.378 6.291 224 HA GLU 28 HA GLU 28 10.911 2.135 4.821 225 1HB GLU 28 HB2 GLU 28 11.937 -0.185 6.475 226 2HB GLU 28 HB3 GLU 28 12.823 1.279 6.063 227 1HG GLU 28 HG2 GLU 28 11.236 2.608 7.366 228 2HG GLU 28 HG3 GLU 28 10.358 1.138 7.788 229 H GLU 29 HN GLU 29 11.189 -1.414 4.847 230 HA GLU 29 HA GLU 29 12.985 -1.499 2.642 231 1HB GLU 29 HB2 GLU 29 12.790 -3.156 4.497 232 2HB GLU 29 HB3 GLU 29 11.269 -3.670 3.748 233 1HG GLU 29 HG2 GLU 29 13.134 -5.126 3.119 234 2HG GLU 29 HG3 GLU 29 12.458 -4.287 1.726 235 H LEU 30 HN LEU 30 9.627 -2.733 2.958 236 HA LEU 30 HA LEU 30 9.266 -3.504 0.342 237 1HB LEU 30 HB2 LEU 30 6.921 -3.407 0.744 238 2HB LEU 30 HB3 LEU 30 7.677 -3.851 2.264 239 HG LEU 30 HG LEU 30 7.559 -1.276 2.732 240 1HD1 LEU 30 HD11 LEU 30 6.345 0.004 1.389 241 2HD1 LEU 30 HD12 LEU 30 6.362 -1.327 0.233 242 3HD1 LEU 30 HD13 LEU 30 5.019 -1.161 1.364 243 1HD2 LEU 30 HD21 LEU 30 5.185 -3.117 2.847 244 2HD2 LEU 30 HD22 LEU 30 6.428 -2.906 4.081 245 3HD2 LEU 30 HD23 LEU 30 5.311 -1.592 3.718 246 H MET 31 HN MET 31 8.932 -0.312 1.780 247 HA MET 31 HA MET 31 8.006 1.063 -0.521 248 1HB MET 31 HB2 MET 31 7.915 1.978 1.797 249 2HB MET 31 HB3 MET 31 9.666 2.111 1.790 250 1HG MET 31 HG2 MET 31 9.467 3.696 -0.115 251 2HG MET 31 HG3 MET 31 7.717 3.637 0.093 252 1HE MET 31 HE1 MET 31 7.621 3.265 3.253 253 2HE MET 31 HE2 MET 31 7.476 4.915 3.859 254 3HE MET 31 HE3 MET 31 6.511 4.395 2.477 255 H ALA 32 HN ALA 32 11.161 0.049 0.700 256 HA ALA 32 HA ALA 32 12.646 1.605 -1.229 257 1HB ALA 32 HB1 ALA 32 13.484 0.764 1.019 258 2HB ALA 32 HB2 ALA 32 13.661 -0.810 0.243 259 3HB ALA 32 HB3 ALA 32 14.574 0.576 -0.354 260 H ALA 33 HN ALA 33 10.990 -1.400 -1.278 261 HA ALA 33 HA ALA 33 12.509 -2.680 -3.319 262 1HB ALA 33 HB1 ALA 33 10.896 -3.641 -1.530 263 2HB ALA 33 HB2 ALA 33 9.671 -3.363 -2.768 264 3HB ALA 33 HB3 ALA 33 11.044 -4.414 -3.108 265 H LEU 34 HN LEU 34 9.448 -0.883 -3.323 266 HA LEU 34 HA LEU 34 8.285 -1.323 -5.612 267 1HB LEU 34 HB2 LEU 34 8.940 1.356 -4.479 268 2HB LEU 34 HB3 LEU 34 7.992 1.208 -5.946 269 HG LEU 34 HG LEU 34 6.525 -0.416 -4.540 270 1HD1 LEU 34 HD11 LEU 34 7.245 -0.762 -2.478 271 2HD1 LEU 34 HD12 LEU 34 8.376 0.588 -2.556 272 3HD1 LEU 34 HD13 LEU 34 6.693 0.872 -2.114 273 1HD2 LEU 34 HD21 LEU 34 5.233 1.539 -3.625 274 2HD2 LEU 34 HD22 LEU 34 6.522 2.570 -4.230 275 3HD2 LEU 34 HD23 LEU 34 5.585 1.590 -5.351 276 HA PRO 35 HA PRO 35 10.521 -1.412 -9.311 277 1HB PRO 35 HB2 PRO 35 8.473 0.522 -10.308 278 2HB PRO 35 HB3 PRO 35 9.048 -0.983 -11.033 279 1HG PRO 35 HG2 PRO 35 6.709 -0.888 -9.754 280 2HG PRO 35 HG3 PRO 35 7.766 -2.306 -9.626 281 1HD PRO 35 HD2 PRO 35 7.195 -0.184 -7.638 282 2HD PRO 35 HD3 PRO 35 7.636 -1.882 -7.388 283 H ASN 36 HN ASN 36 9.373 1.958 -8.755 284 HA ASN 36 HA ASN 36 11.521 3.028 -10.285 285 1HB ASN 36 HB2 ASN 36 10.699 5.185 -9.738 286 2HB ASN 36 HB3 ASN 36 9.294 4.148 -9.928 287 1HD2 ASN 36 HD21 ASN 36 10.033 2.966 -7.184 288 2HD2 ASN 36 HD22 ASN 36 9.437 4.125 -6.071 289 H GLY 37 HN GLY 37 11.411 1.882 -7.089 290 1HA GLY 37 HA1 GLY 37 13.483 1.636 -5.890 291 2HA GLY 37 HA2 GLY 37 14.008 3.170 -6.567 292 HA PRO 38 HA PRO 38 12.425 5.151 -2.939 293 1HB PRO 38 HB2 PRO 38 11.683 7.580 -3.769 294 2HB PRO 38 HB3 PRO 38 13.367 7.052 -3.859 295 1HG PRO 38 HG2 PRO 38 11.316 7.230 -6.019 296 2HG PRO 38 HG3 PRO 38 13.048 7.602 -6.081 297 1HD PRO 38 HD2 PRO 38 11.875 5.236 -6.960 298 2HD PRO 38 HD3 PRO 38 13.594 5.443 -6.578 299 H ASP 39 HN ASP 39 10.450 3.405 -4.018 300 HA ASP 39 HA ASP 39 8.265 2.903 -3.824 301 1HB ASP 39 HB2 ASP 39 8.356 3.535 -1.589 302 2HB ASP 39 HB3 ASP 39 8.433 5.249 -1.955 303 H THR 40 HN THR 40 7.573 3.102 -5.845 304 HA THR 40 HA THR 40 6.978 5.554 -7.149 305 HB THR 40 HB THR 40 7.528 3.605 -8.469 306 HG1 THR 40 HG1 THR 40 6.101 5.008 -9.499 307 1HG2 THR 40 HG21 THR 40 6.725 1.839 -7.029 308 2HG2 THR 40 HG22 THR 40 5.946 1.685 -8.602 309 3HG2 THR 40 HG23 THR 40 5.058 2.370 -7.243 310 H THR 41 HN THR 41 5.135 6.713 -7.207 311 HA THR 41 HA THR 41 3.038 6.073 -5.360 312 HB THR 41 HB THR 41 2.974 8.254 -7.448 313 HG1 THR 41 HG1 THR 41 4.896 8.401 -6.164 314 1HG2 THR 41 HG21 THR 41 1.679 9.348 -5.493 315 2HG2 THR 41 HG22 THR 41 1.527 7.701 -4.879 316 3HG2 THR 41 HG23 THR 41 0.864 8.118 -6.460 317 H CYS 42 HN CYS 42 1.270 4.898 -5.753 318 HA CYS 42 HA CYS 42 0.668 4.112 -8.495 319 1HB CYS 42 HB2 CYS 42 -0.572 3.184 -5.894 320 2HB CYS 42 HB3 CYS 42 -0.869 2.486 -7.484 321 HG CYS 42 HG CYS 42 1.773 1.586 -7.808 322 H LYS 43 HN LYS 43 0.185 6.774 -8.093 323 HA LYS 43 HA LYS 43 -2.534 7.279 -7.368 324 1HB LYS 43 HB2 LYS 43 -2.093 9.556 -8.192 325 2HB LYS 43 HB3 LYS 43 -0.842 9.006 -7.083 326 1HG LYS 43 HG2 LYS 43 0.617 8.506 -8.977 327 2HG LYS 43 HG3 LYS 43 -0.639 9.051 -10.090 328 1HD LYS 43 HD2 LYS 43 -0.543 11.287 -9.095 329 2HD LYS 43 HD3 LYS 43 0.713 10.739 -7.985 330 1HE LYS 43 HE2 LYS 43 0.913 10.813 -10.994 331 2HE LYS 43 HE3 LYS 43 1.665 11.954 -9.880 332 1HZ LYS 43 HZ1 LYS 43 2.808 9.937 -8.898 333 2HZ LYS 43 HZ2 LYS 43 3.330 10.428 -10.430 334 3HZ LYS 43 HZ3 LYS 43 2.304 9.092 -10.275 335 H SER 44 HN SER 44 -4.245 7.886 -8.722 336 HA SER 44 HA SER 44 -3.946 7.508 -11.597 337 1HB SER 44 HB2 SER 44 -5.892 5.897 -9.926 338 2HB SER 44 HB3 SER 44 -5.846 5.923 -11.690 339 HG SER 44 HG SER 44 -3.736 5.058 -11.571 340 H GLY 45 HN GLY 45 -5.110 8.979 -12.675 341 1HA GLY 45 HA1 GLY 45 -6.745 10.524 -13.170 342 2HA GLY 45 HA2 GLY 45 -7.706 9.840 -11.868 343 H ASP 46 HN ASP 46 -6.268 10.325 -9.642 344 HA ASP 46 HA ASP 46 -5.130 12.901 -9.464 345 1HB ASP 46 HB2 ASP 46 -6.943 14.020 -8.199 346 2HB ASP 46 HB3 ASP 46 -7.397 13.682 -9.866 347 H VAL 47 HN VAL 47 -6.908 10.329 -7.836 348 HA VAL 47 HA VAL 47 -5.914 10.818 -5.230 349 HB VAL 47 HB VAL 47 -6.853 8.186 -6.386 350 1HG1 VAL 47 HG11 VAL 47 -5.660 8.613 -3.984 351 2HG1 VAL 47 HG12 VAL 47 -7.359 8.835 -3.567 352 3HG1 VAL 47 HG13 VAL 47 -6.823 7.328 -4.310 353 1HG2 VAL 47 HG21 VAL 47 -8.624 9.671 -6.781 354 2HG2 VAL 47 HG22 VAL 47 -9.037 8.886 -5.256 355 3HG2 VAL 47 HG23 VAL 47 -8.371 10.520 -5.256 356 H GLU 48 HN GLU 48 -4.103 10.086 -4.191 357 HA GLU 48 HA GLU 48 -2.233 8.452 -5.783 358 1HB GLU 48 HB2 GLU 48 -1.383 10.525 -3.765 359 2HB GLU 48 HB3 GLU 48 -0.390 9.702 -4.960 360 1HG GLU 48 HG2 GLU 48 -1.554 10.883 -6.750 361 2HG GLU 48 HG3 GLU 48 -2.557 11.704 -5.557 362 H LEU 49 HN LEU 49 -1.334 6.719 -4.811 363 HA LEU 49 HA LEU 49 -1.527 6.442 -1.907 364 1HB LEU 49 HB2 LEU 49 -2.643 4.488 -3.909 365 2HB LEU 49 HB3 LEU 49 -2.259 4.033 -2.261 366 HG LEU 49 HG LEU 49 -4.604 4.443 -2.381 367 1HD1 LEU 49 HD11 LEU 49 -3.495 5.211 -0.356 368 2HD1 LEU 49 HD12 LEU 49 -3.237 6.797 -1.084 369 3HD1 LEU 49 HD13 LEU 49 -4.876 6.236 -0.749 370 1HD2 LEU 49 HD21 LEU 49 -4.614 7.262 -3.011 371 2HD2 LEU 49 HD22 LEU 49 -3.948 6.307 -4.336 372 3HD2 LEU 49 HD23 LEU 49 -5.557 5.945 -3.710 373 H LYS 50 HN LYS 50 0.129 5.377 -0.988 374 HA LYS 50 HA LYS 50 1.791 3.503 -2.256 375 1HB LYS 50 HB2 LYS 50 3.858 4.894 -2.428 376 2HB LYS 50 HB3 LYS 50 2.615 5.311 -3.599 377 1HG LYS 50 HG2 LYS 50 1.925 7.175 -2.093 378 2HG LYS 50 HG3 LYS 50 3.327 6.802 -1.089 379 1HD LYS 50 HD2 LYS 50 4.826 7.280 -2.902 380 2HD LYS 50 HD3 LYS 50 3.474 7.476 -4.017 381 1HE LYS 50 HE2 LYS 50 4.344 9.642 -3.327 382 2HE LYS 50 HE3 LYS 50 2.698 9.410 -2.739 383 1HZ LYS 50 HZ1 LYS 50 3.679 8.727 -0.585 384 2HZ LYS 50 HZ2 LYS 50 3.997 10.337 -0.993 385 3HZ LYS 50 HZ3 LYS 50 5.204 9.166 -1.171 386 H ALA 51 HN ALA 51 3.782 3.055 -0.947 387 HA ALA 51 HA ALA 51 3.180 2.531 1.665 388 1HB ALA 51 HB1 ALA 51 5.880 2.972 0.414 389 2HB ALA 51 HB2 ALA 51 5.642 2.310 2.032 390 3HB ALA 51 HB3 ALA 51 5.023 1.445 0.625 391 H SER 52 HN SER 52 4.775 5.442 0.422 392 HA SER 52 HA SER 52 5.303 6.519 3.003 393 1HB SER 52 HB2 SER 52 6.635 7.201 1.103 394 2HB SER 52 HB3 SER 52 5.210 7.854 0.294 395 HG SER 52 HG SER 52 6.105 8.765 2.822 396 H ASP 53 HN ASP 53 2.723 7.087 0.621 397 HA ASP 53 HA ASP 53 1.453 9.146 2.098 398 1HB ASP 53 HB2 ASP 53 1.102 8.837 -0.320 399 2HB ASP 53 HB3 ASP 53 0.296 7.305 -0.006 400 H ALA 54 HN ALA 54 0.572 5.723 1.643 401 HA ALA 54 HA ALA 54 -1.320 5.936 3.854 402 1HB ALA 54 HB1 ALA 54 -0.858 3.826 1.769 403 2HB ALA 54 HB2 ALA 54 -1.988 3.634 3.110 404 3HB ALA 54 HB3 ALA 54 -2.232 4.920 1.928 405 H GLY 55 HN GLY 55 1.475 3.938 2.900 406 1HA GLY 55 HA1 GLY 55 1.583 2.120 4.921 407 2HA GLY 55 HA2 GLY 55 3.022 2.849 4.238 408 H GLN 56 HN GLN 56 2.268 5.543 5.242 409 HA GLN 56 HA GLN 56 3.704 5.598 7.600 410 1HB GLN 56 HB2 GLN 56 2.601 7.806 8.024 411 2HB GLN 56 HB3 GLN 56 3.320 7.643 6.428 412 1HG GLN 56 HG2 GLN 56 1.162 7.306 5.438 413 2HG GLN 56 HG3 GLN 56 0.396 7.261 7.025 414 1HE2 GLN 56 HE21 GLN 56 0.959 9.155 4.407 415 2HE2 GLN 56 HE22 GLN 56 0.780 10.715 5.130 416 H VAL 57 HN VAL 57 0.346 4.859 7.105 417 HA VAL 57 HA VAL 57 -0.418 5.140 9.855 418 HB VAL 57 HB VAL 57 -2.550 4.162 9.169 419 1HG1 VAL 57 HG11 VAL 57 -1.282 6.449 7.846 420 2HG1 VAL 57 HG12 VAL 57 -2.703 5.822 7.005 421 3HG1 VAL 57 HG13 VAL 57 -2.830 6.336 8.689 422 1HG2 VAL 57 HG21 VAL 57 -0.976 2.994 7.111 423 2HG2 VAL 57 HG22 VAL 57 -2.678 2.726 7.479 424 3HG2 VAL 57 HG23 VAL 57 -2.211 3.999 6.354 425 H LEU 58 HN LEU 58 1.838 3.271 9.264 426 HA LEU 58 HA LEU 58 0.672 0.876 10.516 427 1HB LEU 58 HB2 LEU 58 3.044 0.862 8.650 428 2HB LEU 58 HB3 LEU 58 2.201 -0.528 9.310 429 HG LEU 58 HG LEU 58 1.032 1.438 7.336 430 1HD1 LEU 58 HD11 LEU 58 2.715 -0.873 6.982 431 2HD1 LEU 58 HD12 LEU 58 1.141 -1.116 6.224 432 3HD1 LEU 58 HD13 LEU 58 2.123 0.283 5.789 433 1HD2 LEU 58 HD21 LEU 58 -0.733 -0.351 7.144 434 2HD2 LEU 58 HD22 LEU 58 -0.061 -1.055 8.616 435 3HD2 LEU 58 HD23 LEU 58 -0.739 0.573 8.646 436 H THR 59 HN THR 59 1.507 0.421 12.452 437 HA THR 59 HA THR 59 3.533 2.022 13.614 438 HB THR 59 HB THR 59 3.376 0.515 15.553 439 HG1 THR 59 HG1 THR 59 3.049 -1.456 14.430 440 1HG2 THR 59 HG21 THR 59 0.700 1.230 14.349 441 2HG2 THR 59 HG22 THR 59 1.727 2.298 15.307 442 3HG2 THR 59 HG23 THR 59 0.998 0.874 16.051 443 H ALA 60 HN ALA 60 5.569 1.335 14.487 444 HA ALA 60 HA ALA 60 7.272 0.123 12.669 445 1HB ALA 60 HB1 ALA 60 7.643 1.515 14.937 446 2HB ALA 60 HB2 ALA 60 8.051 -0.104 15.506 447 3HB ALA 60 HB3 ALA 60 8.919 0.596 14.140 448 H ASP 61 HN ASP 61 5.601 -1.295 15.445 449 HA ASP 61 HA ASP 61 6.812 -3.795 15.489 450 1HB ASP 61 HB2 ASP 61 3.922 -3.111 16.074 451 2HB ASP 61 HB3 ASP 61 4.732 -4.598 16.556 452 H ASP 62 HN ASP 62 4.660 -2.440 13.172 453 HA ASP 62 HA ASP 62 3.565 -4.814 12.099 454 1HB ASP 62 HB2 ASP 62 4.024 -2.161 10.733 455 2HB ASP 62 HB3 ASP 62 2.940 -3.432 10.189 456 H PHE 63 HN PHE 63 6.769 -4.062 12.160 457 HA PHE 63 HA PHE 63 7.815 -4.158 9.682 458 1HB PHE 63 HB2 PHE 63 8.707 -5.075 12.289 459 2HB PHE 63 HB3 PHE 63 9.386 -6.047 10.989 460 HD1 PHE 63 HD1 PHE 63 8.625 -2.421 11.405 461 HD2 PHE 63 HD2 PHE 63 11.526 -5.396 10.498 462 HE1 PHE 63 HE1 PHE 63 10.288 -0.662 10.974 463 HE2 PHE 63 HE2 PHE 63 13.196 -3.644 10.066 464 HZ PHE 63 HZ PHE 63 12.607 -1.296 10.311 465 HA PRO 64 HA PRO 64 7.406 -8.886 9.096 466 1HB PRO 64 HB2 PRO 64 6.179 -10.373 10.990 467 2HB PRO 64 HB3 PRO 64 7.905 -9.993 11.047 468 1HG PRO 64 HG2 PRO 64 5.633 -8.701 12.509 469 2HG PRO 64 HG3 PRO 64 7.233 -9.164 13.116 470 1HD PRO 64 HD2 PRO 64 6.603 -6.616 12.413 471 2HD PRO 64 HD3 PRO 64 8.242 -7.281 12.260 472 H PHE 65 HN PHE 65 5.850 -7.591 7.767 473 HA PHE 65 HA PHE 65 3.050 -7.726 8.385 474 1HB PHE 65 HB2 PHE 65 4.726 -6.462 6.412 475 2HB PHE 65 HB3 PHE 65 3.370 -7.266 5.627 476 HD1 PHE 65 HD1 PHE 65 4.408 -4.571 7.796 477 HD2 PHE 65 HD2 PHE 65 1.058 -6.565 6.117 478 HE1 PHE 65 HE1 PHE 65 2.990 -2.671 8.408 479 HE2 PHE 65 HE2 PHE 65 -0.376 -4.661 6.714 480 HZ PHE 65 HZ PHE 65 0.503 -2.745 7.775 481 H LYS 66 HN LYS 66 1.499 -9.055 7.517 482 HA LYS 66 HA LYS 66 2.299 -11.665 6.745 483 1HB LYS 66 HB2 LYS 66 -0.346 -10.282 6.970 484 2HB LYS 66 HB3 LYS 66 -0.243 -11.863 6.212 485 1HG LYS 66 HG2 LYS 66 -0.839 -12.075 8.546 486 2HG LYS 66 HG3 LYS 66 0.753 -12.773 8.252 487 1HD LYS 66 HD2 LYS 66 0.807 -11.503 10.300 488 2HD LYS 66 HD3 LYS 66 1.777 -10.676 9.081 489 1HE LYS 66 HE2 LYS 66 0.419 -9.082 10.311 490 2HE LYS 66 HE3 LYS 66 -0.098 -9.165 8.629 491 1HZ LYS 66 HZ1 LYS 66 -1.924 -9.149 10.317 492 2HZ LYS 66 HZ2 LYS 66 -1.422 -10.692 10.795 493 3HZ LYS 66 HZ3 LYS 66 -1.981 -10.435 9.220 494 H SER 67 HN SER 67 3.667 -10.798 4.970 495 HA SER 67 HA SER 67 4.162 -10.642 2.779 496 1HB SER 67 HB2 SER 67 1.498 -11.998 2.377 497 2HB SER 67 HB3 SER 67 2.829 -11.939 1.221 498 HG SER 67 HG SER 67 2.951 -13.124 3.796 499 H ALA 68 HN ALA 68 3.636 -9.666 0.716 500 HA ALA 68 HA ALA 68 2.747 -7.068 0.903 501 1HB ALA 68 HB1 ALA 68 2.411 -7.438 -1.698 502 2HB ALA 68 HB2 ALA 68 4.012 -7.383 -0.957 503 3HB ALA 68 HB3 ALA 68 3.267 -8.936 -1.334 504 H GLU 69 HN GLU 69 0.881 -9.952 0.270 505 HA GLU 69 HA GLU 69 -1.406 -8.780 -0.810 506 1HB GLU 69 HB2 GLU 69 -2.600 -10.780 -0.012 507 2HB GLU 69 HB3 GLU 69 -1.087 -11.186 -0.810 508 1HG GLU 69 HG2 GLU 69 -0.046 -11.395 1.420 509 2HG GLU 69 HG3 GLU 69 -1.632 -11.117 2.134 510 H GLU 70 HN GLU 70 -0.581 -9.372 2.642 511 HA GLU 70 HA GLU 70 -3.037 -8.269 3.538 512 1HB GLU 70 HB2 GLU 70 -2.419 -8.951 5.587 513 2HB GLU 70 HB3 GLU 70 -1.184 -9.830 4.707 514 1HG GLU 70 HG2 GLU 70 0.116 -8.836 6.262 515 2HG GLU 70 HG3 GLU 70 0.138 -7.571 5.045 516 H VAL 71 HN VAL 71 0.164 -6.974 3.008 517 HA VAL 71 HA VAL 71 -0.217 -4.468 4.247 518 HB VAL 71 HB VAL 71 1.525 -5.077 1.867 519 1HG1 VAL 71 HG11 VAL 71 1.116 -2.663 2.391 520 2HG1 VAL 71 HG12 VAL 71 1.857 -2.944 3.967 521 3HG1 VAL 71 HG13 VAL 71 2.805 -3.162 2.495 522 1HG2 VAL 71 HG21 VAL 71 1.645 -6.344 4.247 523 2HG2 VAL 71 HG22 VAL 71 3.030 -6.046 3.216 524 3HG2 VAL 71 HG23 VAL 71 2.695 -4.961 4.555 525 H ALA 72 HN ALA 72 -0.673 -5.498 0.875 526 HA ALA 72 HA ALA 72 -1.409 -3.037 -0.190 527 1HB ALA 72 HB1 ALA 72 -0.930 -5.234 -1.394 528 2HB ALA 72 HB2 ALA 72 -2.624 -5.624 -1.101 529 3HB ALA 72 HB3 ALA 72 -2.197 -4.205 -2.058 530 H ASP 73 HN ASP 73 -3.482 -5.582 1.201 531 HA ASP 73 HA ASP 73 -5.910 -4.177 0.831 532 1HB ASP 73 HB2 ASP 73 -5.180 -6.370 2.781 533 2HB ASP 73 HB3 ASP 73 -6.819 -5.779 2.525 534 H THR 74 HN THR 74 -3.723 -4.446 3.610 535 HA THR 74 HA THR 74 -5.236 -2.963 5.436 536 HB THR 74 HB THR 74 -2.257 -3.399 5.228 537 HG1 THR 74 HG1 THR 74 -3.142 -5.269 5.845 538 1HG2 THR 74 HG21 THR 74 -1.975 -1.761 6.714 539 2HG2 THR 74 HG22 THR 74 -2.836 -2.778 7.868 540 3HG2 THR 74 HG23 THR 74 -3.712 -1.561 6.939 541 H ILE 75 HN ILE 75 -2.747 -1.901 3.140 542 HA ILE 75 HA ILE 75 -2.588 0.768 3.910 543 HB ILE 75 HB ILE 75 -2.172 -0.542 1.229 544 1HG1 ILE 75 HG12 ILE 75 -0.240 0.582 3.266 545 2HG1 ILE 75 HG13 ILE 75 -0.606 -1.124 3.047 546 1HG2 ILE 75 HG21 ILE 75 -2.140 1.438 0.230 547 2HG2 ILE 75 HG22 ILE 75 -2.463 2.256 1.756 548 3HG2 ILE 75 HG23 ILE 75 -0.803 1.913 1.276 549 1HD1 ILE 75 HD11 ILE 75 0.442 0.514 0.779 550 2HD1 ILE 75 HD12 ILE 75 1.528 -0.161 1.995 551 3HD1 ILE 75 HD13 ILE 75 0.516 -1.231 1.024 552 H VAL 76 HN VAL 76 -4.652 -0.674 1.373 553 HA VAL 76 HA VAL 76 -5.924 1.704 0.634 554 HB VAL 76 HB VAL 76 -7.755 0.222 -0.239 555 1HG1 VAL 76 HG11 VAL 76 -4.904 0.134 -0.949 556 2HG1 VAL 76 HG12 VAL 76 -5.909 -1.129 -1.661 557 3HG1 VAL 76 HG13 VAL 76 -6.310 0.569 -1.922 558 1HG2 VAL 76 HG21 VAL 76 -7.507 -1.542 1.486 559 2HG2 VAL 76 HG22 VAL 76 -7.482 -2.165 -0.163 560 3HG2 VAL 76 HG23 VAL 76 -5.978 -2.003 0.742 561 H ASN 77 HN ASN 77 -6.723 -0.590 3.204 562 HA ASN 77 HA ASN 77 -9.280 0.419 3.795 563 1HB ASN 77 HB2 ASN 77 -7.273 -1.023 5.532 564 2HB ASN 77 HB3 ASN 77 -8.912 -0.637 6.055 565 1HD2 ASN 77 HD21 ASN 77 -7.143 -3.085 5.051 566 2HD2 ASN 77 HD22 ASN 77 -8.307 -4.006 4.168 567 H LYS 78 HN LYS 78 -6.217 1.038 5.532 568 HA LYS 78 HA LYS 78 -7.319 3.076 7.162 569 1HB LYS 78 HB2 LYS 78 -4.464 2.391 6.482 570 2HB LYS 78 HB3 LYS 78 -4.932 3.555 7.715 571 1HG LYS 78 HG2 LYS 78 -6.127 1.768 8.919 572 2HG LYS 78 HG3 LYS 78 -5.576 0.613 7.704 573 1HD LYS 78 HD2 LYS 78 -3.273 1.013 8.305 574 2HD LYS 78 HD3 LYS 78 -3.753 2.288 9.426 575 1HE LYS 78 HE2 LYS 78 -3.250 0.228 10.621 576 2HE LYS 78 HE3 LYS 78 -4.955 0.646 10.782 577 1HZ LYS 78 HZ1 LYS 78 -3.752 -1.468 9.096 578 2HZ LYS 78 HZ2 LYS 78 -5.341 -0.936 8.879 579 3HZ LYS 78 HZ3 LYS 78 -4.879 -1.645 10.344 580 H ALA 79 HN ALA 79 -5.484 3.128 4.157 581 HA ALA 79 HA ALA 79 -5.029 5.913 4.095 582 1HB ALA 79 HB1 ALA 79 -4.210 5.609 1.934 583 2HB ALA 79 HB2 ALA 79 -3.899 4.070 2.734 584 3HB ALA 79 HB3 ALA 79 -5.262 4.228 1.629 585 H GLY 80 HN GLY 80 -7.793 3.982 3.093 586 1HA GLY 80 HA1 GLY 80 -9.717 5.850 3.194 587 2HA GLY 80 HA2 GLY 80 -8.956 6.222 1.653 588 H LEU 81 HN LEU 81 -8.498 3.984 0.445 589 HA LEU 81 HA LEU 81 -11.035 3.135 -0.433 590 1HB LEU 81 HB2 LEU 81 -8.379 1.802 -0.943 591 2HB LEU 81 HB3 LEU 81 -9.825 1.703 -1.934 592 HG LEU 81 HG LEU 81 -8.373 4.301 -1.445 593 1HD1 LEU 81 HD11 LEU 81 -7.789 3.634 -4.018 594 2HD1 LEU 81 HD12 LEU 81 -6.700 3.399 -2.651 595 3HD1 LEU 81 HD13 LEU 81 -7.695 2.061 -3.226 596 1HD2 LEU 81 HD21 LEU 81 -9.909 3.805 -3.904 597 2HD2 LEU 81 HD22 LEU 81 -10.860 3.868 -2.420 598 3HD2 LEU 81 HD23 LEU 81 -9.839 5.233 -2.872 Start of MODEL 9 1 1H GLY -3 HT1 GLY -3 -14.735 -1.233 5.893 2 2H GLY -3 HT2 GLY -3 -13.781 -0.475 7.065 3 3H GLY -3 HT3 GLY -3 -14.171 -2.114 7.223 4 1HA GLY -3 HA2 GLY -3 -11.878 -1.148 6.161 5 2HA GLY -3 HA1 GLY -3 -12.500 -2.776 5.937 6 H SER -2 HN SER -2 -14.626 -2.381 4.270 7 HA SER -2 HA SER -2 -14.212 -0.668 2.100 8 1HB SER -2 HB2 SER -2 -13.321 -2.246 0.420 9 2HB SER -2 HB3 SER -2 -12.165 -1.955 1.720 10 HG SER -2 HG SER -2 -12.534 -3.945 2.516 11 H HIS -1 HN HIS -1 -16.378 -1.678 3.633 12 HA HIS -1 HA HIS -1 -17.823 -3.523 1.923 13 1HB HIS -1 HB2 HIS -1 -18.616 -2.127 4.484 14 2HB HIS -1 HB3 HIS -1 -19.638 -3.269 3.620 15 HD1 HIS -1 HD1 HIS -1 -16.095 -3.292 5.026 16 HD2 HIS -1 HD2 HIS -1 -19.424 -5.746 4.653 17 HE1 HIS -1 HE1 HIS -1 -15.475 -5.442 6.174 18 HE2 HIS -1 HE2 HIS -1 -17.539 -6.878 6.016 19 H MET 1 HN MET 1 -19.503 -3.041 0.600 20 HA MET 1 HA MET 1 -20.918 -1.832 -0.700 21 1HB MET 1 HB2 MET 1 -21.861 -1.157 1.493 22 2HB MET 1 HB3 MET 1 -20.774 0.225 1.510 23 1HG MET 1 HG2 MET 1 -23.009 0.866 0.816 24 2HG MET 1 HG3 MET 1 -21.845 1.114 -0.483 25 1HE MET 1 HE1 MET 1 -25.141 0.134 -2.383 26 2HE MET 1 HE2 MET 1 -24.970 1.123 -0.933 27 3HE MET 1 HE3 MET 1 -23.835 1.313 -2.269 28 H LYS 2 HN LYS 2 -18.559 -1.729 -1.740 29 HA LYS 2 HA LYS 2 -18.446 0.697 -3.139 30 1HB LYS 2 HB2 LYS 2 -16.356 1.644 -2.345 31 2HB LYS 2 HB3 LYS 2 -17.524 1.577 -1.034 32 1HG LYS 2 HG2 LYS 2 -16.433 -0.455 -0.187 33 2HG LYS 2 HG3 LYS 2 -15.238 -0.333 -1.479 34 1HD LYS 2 HD2 LYS 2 -15.734 1.771 0.628 35 2HD LYS 2 HD3 LYS 2 -14.433 0.582 0.676 36 1HE LYS 2 HE2 LYS 2 -13.518 1.488 -1.401 37 2HE LYS 2 HE3 LYS 2 -14.829 2.666 -1.470 38 1HZ LYS 2 HZ1 LYS 2 -12.722 2.488 0.612 39 2HZ LYS 2 HZ2 LYS 2 -14.031 3.557 0.664 40 3HZ LYS 2 HZ3 LYS 2 -12.879 3.692 -0.567 41 H MET 3 HN MET 3 -17.162 0.550 -4.943 42 HA MET 3 HA MET 3 -15.121 -1.471 -5.165 43 1HB MET 3 HB2 MET 3 -17.266 -2.721 -5.522 44 2HB MET 3 HB3 MET 3 -17.578 -1.696 -6.914 45 1HG MET 3 HG2 MET 3 -15.133 -3.424 -6.652 46 2HG MET 3 HG3 MET 3 -16.629 -3.967 -7.404 47 1HE MET 3 HE1 MET 3 -17.862 -2.413 -8.908 48 2HE MET 3 HE2 MET 3 -17.197 -0.875 -9.460 49 3HE MET 3 HE3 MET 3 -17.107 -2.298 -10.499 50 H GLY 4 HN GLY 4 -13.616 -0.872 -6.595 51 1HA GLY 4 HA1 GLY 4 -14.026 0.475 -9.013 52 2HA GLY 4 HA2 GLY 4 -13.685 1.684 -7.782 53 H VAL 5 HN VAL 5 -11.642 2.334 -8.126 54 HA VAL 5 HA VAL 5 -9.624 0.618 -9.153 55 HB VAL 5 HB VAL 5 -9.713 3.181 -9.277 56 1HG1 VAL 5 HG11 VAL 5 -8.064 2.971 -6.776 57 2HG1 VAL 5 HG12 VAL 5 -8.643 4.438 -7.581 58 3HG1 VAL 5 HG13 VAL 5 -9.785 3.384 -6.743 59 1HG2 VAL 5 HG21 VAL 5 -7.228 3.357 -9.355 60 2HG2 VAL 5 HG22 VAL 5 -7.169 1.698 -8.766 61 3HG2 VAL 5 HG23 VAL 5 -7.927 2.059 -10.319 62 H LYS 6 HN LYS 6 -10.973 0.754 -6.081 63 HA LYS 6 HA LYS 6 -8.911 0.694 -4.294 64 1HB LYS 6 HB2 LYS 6 -11.320 0.378 -3.731 65 2HB LYS 6 HB3 LYS 6 -11.222 -1.266 -4.339 66 1HG LYS 6 HG2 LYS 6 -9.585 -0.224 -2.041 67 2HG LYS 6 HG3 LYS 6 -11.130 -1.051 -1.860 68 1HD LYS 6 HD2 LYS 6 -10.062 -2.959 -3.182 69 2HD LYS 6 HD3 LYS 6 -8.526 -2.143 -2.888 70 1HE LYS 6 HE2 LYS 6 -8.863 -3.828 -1.200 71 2HE LYS 6 HE3 LYS 6 -8.981 -2.229 -0.467 72 1HZ LYS 6 HZ1 LYS 6 -10.937 -2.842 0.330 73 2HZ LYS 6 HZ2 LYS 6 -10.906 -4.299 -0.527 74 3HZ LYS 6 HZ3 LYS 6 -11.543 -2.907 -1.248 75 H GLU 7 HN GLU 7 -10.022 -1.952 -6.369 76 HA GLU 7 HA GLU 7 -7.852 -3.669 -5.572 77 1HB GLU 7 HB2 GLU 7 -9.790 -3.949 -7.884 78 2HB GLU 7 HB3 GLU 7 -8.685 -5.192 -7.320 79 1HG GLU 7 HG2 GLU 7 -10.813 -5.733 -6.465 80 2HG GLU 7 HG3 GLU 7 -9.873 -5.107 -5.112 81 H ASP 8 HN ASP 8 -8.504 -1.392 -8.166 82 HA ASP 8 HA ASP 8 -6.492 -2.214 -9.931 83 1HB ASP 8 HB2 ASP 8 -8.047 0.266 -9.609 84 2HB ASP 8 HB3 ASP 8 -6.707 0.235 -10.747 85 H ILE 9 HN ILE 9 -6.430 0.441 -7.571 86 HA ILE 9 HA ILE 9 -3.701 1.086 -7.997 87 HB ILE 9 HB ILE 9 -5.693 1.778 -5.844 88 1HG1 ILE 9 HG12 ILE 9 -4.163 3.449 -7.847 89 2HG1 ILE 9 HG13 ILE 9 -5.836 2.932 -8.008 90 1HG2 ILE 9 HG21 ILE 9 -3.968 1.951 -4.407 91 2HG2 ILE 9 HG22 ILE 9 -2.760 1.975 -5.691 92 3HG2 ILE 9 HG23 ILE 9 -3.640 3.447 -5.279 93 1HD1 ILE 9 HD11 ILE 9 -6.313 4.190 -5.888 94 2HD1 ILE 9 HD12 ILE 9 -4.687 4.861 -6.020 95 3HD1 ILE 9 HD13 ILE 9 -5.877 5.174 -7.285 96 H ARG 10 HN ARG 10 -5.463 -0.805 -5.579 97 HA ARG 10 HA ARG 10 -3.293 -1.579 -3.979 98 1HB ARG 10 HB2 ARG 10 -5.884 -1.971 -3.702 99 2HB ARG 10 HB3 ARG 10 -5.581 -3.438 -4.601 100 1HG ARG 10 HG2 ARG 10 -3.806 -2.975 -2.307 101 2HG ARG 10 HG3 ARG 10 -5.502 -3.262 -1.923 102 1HD ARG 10 HD2 ARG 10 -3.782 -5.057 -3.632 103 2HD ARG 10 HD3 ARG 10 -4.146 -5.321 -1.930 104 HE ARG 10 HE ARG 10 -6.324 -5.913 -2.490 105 1HH1 ARG 10 HH12 ARG 10 -4.495 -5.064 -5.342 106 2HH1 ARG 10 HH11 ARG 10 -5.698 -5.652 -6.436 107 1HH2 ARG 10 HH22 ARG 10 -7.896 -6.689 -3.931 108 2HH2 ARG 10 HH21 ARG 10 -7.625 -6.576 -5.637 109 H GLY 11 HN GLY 11 -4.432 -2.619 -7.095 110 1HA GLY 11 HA1 GLY 11 -2.982 -5.064 -7.267 111 2HA GLY 11 HA2 GLY 11 -3.550 -4.103 -8.633 112 H GLN 12 HN GLN 12 -2.299 -1.734 -8.141 113 HA GLN 12 HA GLN 12 0.279 -2.155 -9.211 114 1HB GLN 12 HB2 GLN 12 -0.874 0.304 -7.876 115 2HB GLN 12 HB3 GLN 12 0.571 0.266 -8.872 116 1HG GLN 12 HG2 GLN 12 -0.759 -0.390 -10.801 117 2HG GLN 12 HG3 GLN 12 -2.212 -0.386 -9.804 118 1HE2 GLN 12 HE21 GLN 12 -0.552 1.341 -12.007 119 2HE2 GLN 12 HE22 GLN 12 -1.092 2.935 -11.613 120 H ILE 13 HN ILE 13 -0.982 -1.802 -5.982 121 HA ILE 13 HA ILE 13 1.484 -1.267 -4.670 122 HB ILE 13 HB ILE 13 -1.075 -2.418 -3.552 123 1HG1 ILE 13 HG12 ILE 13 -0.016 0.418 -3.590 124 2HG1 ILE 13 HG13 ILE 13 -1.363 -0.190 -4.545 125 1HG2 ILE 13 HG21 ILE 13 1.524 -1.977 -2.361 126 2HG2 ILE 13 HG22 ILE 13 0.267 -1.050 -1.541 127 3HG2 ILE 13 HG23 ILE 13 0.109 -2.799 -1.706 128 1HD1 ILE 13 HD11 ILE 13 -1.997 -0.823 -1.909 129 2HD1 ILE 13 HD12 ILE 13 -1.329 0.809 -1.855 130 3HD1 ILE 13 HD13 ILE 13 -2.700 0.451 -2.906 131 H ILE 14 HN ILE 14 -0.378 -4.217 -5.302 132 HA ILE 14 HA ILE 14 1.171 -6.005 -3.820 133 HB ILE 14 HB ILE 14 -0.550 -6.324 -6.257 134 1HG1 ILE 14 HG12 ILE 14 -1.606 -6.017 -4.053 135 2HG1 ILE 14 HG13 ILE 14 -1.946 -7.614 -4.712 136 1HG2 ILE 14 HG21 ILE 14 0.811 -8.066 -6.818 137 2HG2 ILE 14 HG22 ILE 14 1.390 -8.291 -5.167 138 3HG2 ILE 14 HG23 ILE 14 -0.204 -8.887 -5.633 139 1HD1 ILE 14 HD11 ILE 14 0.150 -8.287 -3.289 140 2HD1 ILE 14 HD12 ILE 14 -0.281 -6.835 -2.385 141 3HD1 ILE 14 HD13 ILE 14 -1.448 -8.145 -2.560 142 H GLY 15 HN GLY 15 1.440 -5.140 -7.278 143 1HA GLY 15 HA1 GLY 15 3.832 -6.637 -7.688 144 2HA GLY 15 HA2 GLY 15 3.201 -5.383 -8.750 145 H ALA 16 HN ALA 16 3.128 -3.314 -6.832 146 HA ALA 16 HA ALA 16 5.696 -2.222 -7.085 147 1HB ALA 16 HB1 ALA 16 4.055 -0.622 -6.868 148 2HB ALA 16 HB2 ALA 16 3.227 -1.485 -5.567 149 3HB ALA 16 HB3 ALA 16 4.733 -0.623 -5.242 150 H LEU 17 HN LEU 17 4.263 -4.207 -4.629 151 HA LEU 17 HA LEU 17 6.315 -3.674 -2.667 152 1HB LEU 17 HB2 LEU 17 3.924 -5.499 -2.763 153 2HB LEU 17 HB3 LEU 17 5.077 -5.535 -1.446 154 HG LEU 17 HG LEU 17 3.617 -3.018 -2.220 155 1HD1 LEU 17 HD11 LEU 17 2.355 -3.776 0.019 156 2HD1 LEU 17 HD12 LEU 17 1.760 -4.143 -1.600 157 3HD1 LEU 17 HD13 LEU 17 2.662 -5.357 -0.695 158 1HD2 LEU 17 HD21 LEU 17 4.637 -2.069 -0.468 159 2HD2 LEU 17 HD22 LEU 17 4.401 -3.482 0.561 160 3HD2 LEU 17 HD23 LEU 17 5.759 -3.425 -0.565 161 H ALA 18 HN ALA 18 5.541 -6.031 -5.097 162 HA ALA 18 HA ALA 18 7.066 -8.205 -4.254 163 1HB ALA 18 HB1 ALA 18 6.650 -7.290 -7.097 164 2HB ALA 18 HB2 ALA 18 7.097 -8.913 -6.572 165 3HB ALA 18 HB3 ALA 18 5.511 -8.257 -6.161 166 H GLY 19 HN GLY 19 9.189 -8.592 -4.082 167 1HA GLY 19 HA1 GLY 19 11.392 -8.385 -5.202 168 2HA GLY 19 HA2 GLY 19 11.034 -6.673 -5.369 169 H ALA 20 HN ALA 20 9.914 -6.387 -2.705 170 HA ALA 20 HA ALA 20 12.129 -5.558 -1.277 171 1HB ALA 20 HB1 ALA 20 9.527 -5.264 -0.899 172 2HB ALA 20 HB2 ALA 20 9.801 -6.554 0.274 173 3HB ALA 20 HB3 ALA 20 10.688 -5.035 0.410 174 H ASP 21 HN ASP 21 12.388 -6.445 1.140 175 HA ASP 21 HA ASP 21 13.840 -8.863 0.961 176 1HB ASP 21 HB2 ASP 21 12.896 -7.087 3.196 177 2HB ASP 21 HB3 ASP 21 13.613 -8.657 3.581 178 H PHE 22 HN PHE 22 11.974 -9.340 3.752 179 HA PHE 22 HA PHE 22 10.723 -11.642 2.691 180 1HB PHE 22 HB2 PHE 22 9.628 -11.892 4.773 181 2HB PHE 22 HB3 PHE 22 11.109 -11.058 5.198 182 HD1 PHE 22 HD1 PHE 22 10.872 -9.501 6.825 183 HD2 PHE 22 HD2 PHE 22 7.653 -10.034 4.096 184 HE1 PHE 22 HE1 PHE 22 9.588 -7.752 7.974 185 HE2 PHE 22 HE2 PHE 22 6.370 -8.247 5.211 186 HZ PHE 22 HZ PHE 22 7.355 -7.144 7.177 187 HA PRO 23 HA PRO 23 7.205 -9.956 0.682 188 1HB PRO 23 HB2 PRO 23 4.963 -10.919 1.884 189 2HB PRO 23 HB3 PRO 23 5.976 -11.879 0.807 190 1HG PRO 23 HG2 PRO 23 5.952 -11.796 3.804 191 2HG PRO 23 HG3 PRO 23 6.020 -13.204 2.723 192 1HD PRO 23 HD2 PRO 23 8.226 -12.242 3.907 193 2HD PRO 23 HD3 PRO 23 8.279 -12.892 2.257 194 H ILE 24 HN ILE 24 8.128 -7.943 1.947 195 HA ILE 24 HA ILE 24 7.160 -5.812 2.264 196 HB ILE 24 HB ILE 24 5.143 -7.226 3.980 197 1HG1 ILE 24 HG12 ILE 24 4.657 -7.637 1.684 198 2HG1 ILE 24 HG13 ILE 24 3.601 -6.320 2.168 199 1HG2 ILE 24 HG21 ILE 24 4.412 -4.552 3.322 200 2HG2 ILE 24 HG22 ILE 24 4.633 -5.281 4.911 201 3HG2 ILE 24 HG23 ILE 24 5.997 -4.541 4.083 202 1HD1 ILE 24 HD11 ILE 24 5.864 -6.348 0.295 203 2HD1 ILE 24 HD12 ILE 24 4.349 -5.450 0.249 204 3HD1 ILE 24 HD13 ILE 24 5.664 -4.900 1.282 205 H ASN 25 HN ASN 25 9.440 -6.248 3.290 206 HA ASN 25 HA ASN 25 9.714 -6.391 6.107 207 1HB ASN 25 HB2 ASN 25 11.414 -5.555 3.826 208 2HB ASN 25 HB3 ASN 25 11.879 -4.969 5.425 209 1HD2 ASN 25 HD21 ASN 25 13.323 -6.143 6.365 210 2HD2 ASN 25 HD22 ASN 25 13.487 -7.862 6.259 211 H SER 26 HN SER 26 7.738 -4.832 6.397 212 HA SER 26 HA SER 26 6.949 -2.819 7.113 213 1HB SER 26 HB2 SER 26 8.428 -1.428 8.415 214 2HB SER 26 HB3 SER 26 8.870 -3.106 8.724 215 HG SER 26 HG SER 26 10.186 -1.267 7.017 216 HA PRO 27 HA PRO 27 6.926 -0.055 3.771 217 1HB PRO 27 HB2 PRO 27 7.367 2.213 5.645 218 2HB PRO 27 HB3 PRO 27 6.114 2.000 4.419 219 1HG PRO 27 HG2 PRO 27 5.590 1.655 7.025 220 2HG PRO 27 HG3 PRO 27 4.819 0.657 5.780 221 1HD PRO 27 HD2 PRO 27 6.990 -0.040 7.687 222 2HD PRO 27 HD3 PRO 27 5.737 -1.073 6.967 223 H GLU 28 HN GLU 28 9.501 0.520 6.112 224 HA GLU 28 HA GLU 28 11.153 2.123 4.579 225 1HB GLU 28 HB2 GLU 28 12.051 -0.156 6.358 226 2HB GLU 28 HB3 GLU 28 13.009 1.243 5.883 227 1HG GLU 28 HG2 GLU 28 11.403 2.699 7.071 228 2HG GLU 28 HG3 GLU 28 10.550 1.255 7.621 229 H GLU 29 HN GLU 29 11.246 -1.434 4.765 230 HA GLU 29 HA GLU 29 13.048 -1.699 2.572 231 1HB GLU 29 HB2 GLU 29 12.777 -3.257 4.503 232 2HB GLU 29 HB3 GLU 29 11.236 -3.736 3.765 233 1HG GLU 29 HG2 GLU 29 13.089 -5.279 3.220 234 2HG GLU 29 HG3 GLU 29 12.380 -4.519 1.795 235 H LEU 30 HN LEU 30 9.643 -2.762 2.980 236 HA LEU 30 HA LEU 30 9.234 -3.665 0.420 237 1HB LEU 30 HB2 LEU 30 6.898 -3.436 0.796 238 2HB LEU 30 HB3 LEU 30 7.626 -3.822 2.343 239 HG LEU 30 HG LEU 30 7.626 -1.211 2.631 240 1HD1 LEU 30 HD11 LEU 30 5.064 -1.171 1.258 241 2HD1 LEU 30 HD12 LEU 30 6.371 0.016 1.259 242 3HD1 LEU 30 HD13 LEU 30 6.435 -1.361 0.160 243 1HD2 LEU 30 HD21 LEU 30 5.159 -2.910 2.904 244 2HD2 LEU 30 HD22 LEU 30 6.460 -2.759 4.085 245 3HD2 LEU 30 HD23 LEU 30 5.433 -1.374 3.719 246 H MET 31 HN MET 31 9.041 -0.338 1.627 247 HA MET 31 HA MET 31 8.231 0.812 -0.843 248 1HB MET 31 HB2 MET 31 9.618 1.992 1.559 249 2HB MET 31 HB3 MET 31 9.268 2.933 0.129 250 1HG MET 31 HG2 MET 31 6.879 2.366 0.395 251 2HG MET 31 HG3 MET 31 7.278 1.596 1.931 252 1HE MET 31 HE1 MET 31 8.838 4.764 3.801 253 2HE MET 31 HE2 MET 31 8.276 3.122 4.113 254 3HE MET 31 HE3 MET 31 9.562 3.406 2.941 255 H ALA 32 HN ALA 32 11.305 -0.121 0.609 256 HA ALA 32 HA ALA 32 12.952 1.240 -1.277 257 1HB ALA 32 HB1 ALA 32 13.633 0.264 0.965 258 2HB ALA 32 HB2 ALA 32 13.703 -1.297 0.145 259 3HB ALA 32 HB3 ALA 32 14.750 0.023 -0.379 260 H ALA 33 HN ALA 33 11.204 -1.755 -1.334 261 HA ALA 33 HA ALA 33 12.597 -2.966 -3.494 262 1HB ALA 33 HB1 ALA 33 11.001 -3.955 -1.677 263 2HB ALA 33 HB2 ALA 33 9.765 -3.627 -2.892 264 3HB ALA 33 HB3 ALA 33 11.120 -4.686 -3.279 265 H LEU 34 HN LEU 34 9.644 -1.012 -3.284 266 HA LEU 34 HA LEU 34 8.449 -1.303 -5.643 267 1HB LEU 34 HB2 LEU 34 9.020 1.212 -4.137 268 2HB LEU 34 HB3 LEU 34 8.182 1.291 -5.675 269 HG LEU 34 HG LEU 34 6.502 -0.337 -4.747 270 1HD1 LEU 34 HD11 LEU 34 6.546 -0.085 -2.097 271 2HD1 LEU 34 HD12 LEU 34 7.312 -1.427 -2.947 272 3HD1 LEU 34 HD13 LEU 34 8.278 -0.054 -2.416 273 1HD2 LEU 34 HD21 LEU 34 6.723 2.247 -3.216 274 2HD2 LEU 34 HD22 LEU 34 6.090 2.097 -4.854 275 3HD2 LEU 34 HD23 LEU 34 5.262 1.311 -3.513 276 HA PRO 35 HA PRO 35 10.888 -0.927 -9.220 277 1HB PRO 35 HB2 PRO 35 9.185 0.852 -10.618 278 2HB PRO 35 HB3 PRO 35 9.195 -0.910 -10.705 279 1HG PRO 35 HG2 PRO 35 7.458 0.898 -9.098 280 2HG PRO 35 HG3 PRO 35 7.079 -0.673 -9.830 281 1HD PRO 35 HD2 PRO 35 7.462 -0.444 -7.206 282 2HD PRO 35 HD3 PRO 35 8.076 -1.857 -8.093 283 H ASN 36 HN ASN 36 9.552 2.197 -8.117 284 HA ASN 36 HA ASN 36 11.530 3.715 -9.490 285 1HB ASN 36 HB2 ASN 36 10.648 5.642 -8.342 286 2HB ASN 36 HB3 ASN 36 9.312 4.626 -8.864 287 1HD2 ASN 36 HD21 ASN 36 10.175 2.787 -6.498 288 2HD2 ASN 36 HD22 ASN 36 9.422 3.526 -5.152 289 H GLY 37 HN GLY 37 11.626 1.984 -6.538 290 1HA GLY 37 HA1 GLY 37 13.815 1.635 -5.553 291 2HA GLY 37 HA2 GLY 37 14.171 3.322 -5.886 292 HA PRO 38 HA PRO 38 12.720 4.375 -1.854 293 1HB PRO 38 HB2 PRO 38 11.344 6.680 -2.148 294 2HB PRO 38 HB3 PRO 38 13.093 6.582 -2.372 295 1HG PRO 38 HG2 PRO 38 10.922 6.697 -4.410 296 2HG PRO 38 HG3 PRO 38 12.531 7.437 -4.437 297 1HD PRO 38 HD2 PRO 38 11.844 5.115 -5.768 298 2HD PRO 38 HD3 PRO 38 13.499 5.565 -5.320 299 H ASP 39 HN ASP 39 9.983 5.069 -4.033 300 HA ASP 39 HA ASP 39 8.249 3.140 -3.198 301 1HB ASP 39 HB2 ASP 39 6.718 4.685 -1.802 302 2HB ASP 39 HB3 ASP 39 8.060 3.890 -0.998 303 H THR 40 HN THR 40 7.601 3.214 -5.339 304 HA THR 40 HA THR 40 6.869 5.600 -6.680 305 HB THR 40 HB THR 40 7.573 3.638 -7.945 306 HG1 THR 40 HG1 THR 40 5.716 3.625 -9.430 307 1HG2 THR 40 HG21 THR 40 5.205 2.384 -6.622 308 2HG2 THR 40 HG22 THR 40 6.821 1.733 -6.880 309 3HG2 THR 40 HG23 THR 40 5.691 1.839 -8.226 310 H THR 41 HN THR 41 4.955 6.619 -6.904 311 HA THR 41 HA THR 41 2.843 5.903 -5.078 312 HB THR 41 HB THR 41 2.716 8.097 -7.141 313 HG1 THR 41 HG1 THR 41 3.565 9.413 -5.360 314 1HG2 THR 41 HG21 THR 41 1.100 9.070 -5.737 315 2HG2 THR 41 HG22 THR 41 1.548 8.047 -4.370 316 3HG2 THR 41 HG23 THR 41 0.695 7.354 -5.750 317 H CYS 42 HN CYS 42 1.056 4.778 -5.529 318 HA CYS 42 HA CYS 42 0.567 3.998 -8.306 319 1HB CYS 42 HB2 CYS 42 -0.646 2.939 -5.743 320 2HB CYS 42 HB3 CYS 42 -0.937 2.296 -7.357 321 HG CYS 42 HG CYS 42 1.888 1.698 -7.667 322 H LYS 43 HN LYS 43 -0.020 6.629 -7.783 323 HA LYS 43 HA LYS 43 -2.774 6.985 -7.100 324 1HB LYS 43 HB2 LYS 43 -2.414 9.320 -7.776 325 2HB LYS 43 HB3 LYS 43 -1.170 8.757 -6.669 326 1HG LYS 43 HG2 LYS 43 0.055 9.924 -8.224 327 2HG LYS 43 HG3 LYS 43 0.173 8.275 -8.838 328 1HD LYS 43 HD2 LYS 43 -1.586 8.717 -10.447 329 2HD LYS 43 HD3 LYS 43 -1.818 10.334 -9.782 330 1HE LYS 43 HE2 LYS 43 0.461 10.927 -10.448 331 2HE LYS 43 HE3 LYS 43 0.691 9.307 -11.105 332 1HZ LYS 43 HZ1 LYS 43 0.138 10.914 -12.830 333 2HZ LYS 43 HZ2 LYS 43 -1.320 11.277 -12.056 334 3HZ LYS 43 HZ3 LYS 43 -1.066 9.733 -12.698 335 H SER 44 HN SER 44 -4.425 7.823 -8.522 336 HA SER 44 HA SER 44 -4.053 7.487 -11.379 337 1HB SER 44 HB2 SER 44 -6.000 5.765 -9.827 338 2HB SER 44 HB3 SER 44 -5.912 5.864 -11.587 339 HG SER 44 HG SER 44 -4.095 4.734 -11.580 340 H GLY 45 HN GLY 45 -5.235 8.939 -12.459 341 1HA GLY 45 HA1 GLY 45 -6.884 10.456 -12.973 342 2HA GLY 45 HA2 GLY 45 -7.882 9.693 -11.746 343 H ASP 46 HN ASP 46 -6.635 10.168 -9.427 344 HA ASP 46 HA ASP 46 -5.626 12.805 -9.125 345 1HB ASP 46 HB2 ASP 46 -7.973 13.382 -9.599 346 2HB ASP 46 HB3 ASP 46 -8.497 12.334 -8.284 347 H VAL 47 HN VAL 47 -7.335 10.097 -7.646 348 HA VAL 47 HA VAL 47 -6.460 10.541 -4.993 349 HB VAL 47 HB VAL 47 -7.230 7.910 -6.271 350 1HG1 VAL 47 HG11 VAL 47 -7.270 6.988 -4.218 351 2HG1 VAL 47 HG12 VAL 47 -6.150 8.290 -3.819 352 3HG1 VAL 47 HG13 VAL 47 -7.866 8.460 -3.451 353 1HG2 VAL 47 HG21 VAL 47 -9.211 9.382 -4.666 354 2HG2 VAL 47 HG22 VAL 47 -8.814 10.103 -6.225 355 3HG2 VAL 47 HG23 VAL 47 -9.414 8.447 -6.148 356 H GLU 48 HN GLU 48 -4.623 9.936 -3.943 357 HA GLU 48 HA GLU 48 -2.659 8.362 -5.477 358 1HB GLU 48 HB2 GLU 48 -1.963 10.558 -3.528 359 2HB GLU 48 HB3 GLU 48 -0.879 9.713 -4.627 360 1HG GLU 48 HG2 GLU 48 -1.980 10.740 -6.536 361 2HG GLU 48 HG3 GLU 48 -3.112 11.554 -5.457 362 H LEU 49 HN LEU 49 -1.806 6.643 -4.489 363 HA LEU 49 HA LEU 49 -1.892 6.441 -1.573 364 1HB LEU 49 HB2 LEU 49 -3.126 4.469 -3.485 365 2HB LEU 49 HB3 LEU 49 -2.656 4.023 -1.857 366 HG LEU 49 HG LEU 49 -5.000 4.455 -1.859 367 1HD1 LEU 49 HD11 LEU 49 -5.176 6.214 -0.202 368 2HD1 LEU 49 HD12 LEU 49 -3.747 5.223 0.093 369 3HD1 LEU 49 HD13 LEU 49 -3.577 6.817 -0.642 370 1HD2 LEU 49 HD21 LEU 49 -5.018 7.273 -2.503 371 2HD2 LEU 49 HD22 LEU 49 -4.433 6.301 -3.854 372 3HD2 LEU 49 HD23 LEU 49 -6.008 5.962 -3.139 373 H LYS 50 HN LYS 50 -0.223 5.331 -0.695 374 HA LYS 50 HA LYS 50 1.350 3.409 -1.980 375 1HB LYS 50 HB2 LYS 50 3.412 4.689 -2.382 376 2HB LYS 50 HB3 LYS 50 2.093 5.227 -3.413 377 1HG LYS 50 HG2 LYS 50 1.725 7.152 -1.995 378 2HG LYS 50 HG3 LYS 50 2.975 6.592 -0.882 379 1HD LYS 50 HD2 LYS 50 4.673 6.874 -2.555 380 2HD LYS 50 HD3 LYS 50 3.461 7.241 -3.780 381 1HE LYS 50 HE2 LYS 50 2.848 9.273 -2.586 382 2HE LYS 50 HE3 LYS 50 4.017 8.897 -1.321 383 1HZ LYS 50 HZ1 LYS 50 5.736 9.561 -2.590 384 2HZ LYS 50 HZ2 LYS 50 4.554 10.474 -3.384 385 3HZ LYS 50 HZ3 LYS 50 5.058 8.995 -4.033 386 H ALA 51 HN ALA 51 3.103 2.675 -0.700 387 HA ALA 51 HA ALA 51 2.656 2.566 1.994 388 1HB ALA 51 HB1 ALA 51 4.116 0.951 1.362 389 2HB ALA 51 HB2 ALA 51 5.011 2.023 0.286 390 3HB ALA 51 HB3 ALA 51 5.271 2.105 2.029 391 H SER 52 HN SER 52 4.287 5.105 0.243 392 HA SER 52 HA SER 52 5.649 6.243 2.451 393 1HB SER 52 HB2 SER 52 6.292 6.810 0.178 394 2HB SER 52 HB3 SER 52 4.704 7.509 -0.128 395 HG SER 52 HG SER 52 6.848 8.519 1.332 396 H ASP 53 HN ASP 53 2.709 7.434 0.790 397 HA ASP 53 HA ASP 53 2.038 9.199 2.926 398 1HB ASP 53 HB2 ASP 53 0.441 8.246 0.543 399 2HB ASP 53 HB3 ASP 53 -0.101 9.498 1.656 400 H ALA 54 HN ALA 54 0.492 6.226 1.718 401 HA ALA 54 HA ALA 54 -1.366 6.071 3.867 402 1HB ALA 54 HB1 ALA 54 -2.193 4.974 2.057 403 2HB ALA 54 HB2 ALA 54 -0.617 4.350 1.571 404 3HB ALA 54 HB3 ALA 54 -1.485 3.606 2.914 405 H GLY 55 HN GLY 55 1.668 4.348 3.143 406 1HA GLY 55 HA1 GLY 55 1.727 2.457 5.115 407 2HA GLY 55 HA2 GLY 55 3.158 3.328 4.605 408 H GLN 56 HN GLN 56 1.990 5.901 5.564 409 HA GLN 56 HA GLN 56 3.202 6.278 7.964 410 1HB GLN 56 HB2 GLN 56 1.990 8.011 6.586 411 2HB GLN 56 HB3 GLN 56 0.493 7.429 7.277 412 1HG GLN 56 HG2 GLN 56 1.223 8.054 9.490 413 2HG GLN 56 HG3 GLN 56 2.779 8.585 8.851 414 1HE2 GLN 56 HE21 GLN 56 2.938 10.689 8.638 415 2HE2 GLN 56 HE22 GLN 56 1.651 11.785 8.279 416 H VAL 57 HN VAL 57 0.074 4.910 7.351 417 HA VAL 57 HA VAL 57 -0.676 4.672 10.113 418 HB VAL 57 HB VAL 57 -2.722 3.710 9.240 419 1HG1 VAL 57 HG11 VAL 57 -1.561 6.148 7.939 420 2HG1 VAL 57 HG12 VAL 57 -3.161 5.578 7.443 421 3HG1 VAL 57 HG13 VAL 57 -2.865 6.015 9.126 422 1HG2 VAL 57 HG21 VAL 57 -2.340 3.909 6.434 423 2HG2 VAL 57 HG22 VAL 57 -1.037 2.913 7.080 424 3HG2 VAL 57 HG23 VAL 57 -2.715 2.475 7.385 425 H LEU 58 HN LEU 58 1.760 3.230 9.196 426 HA LEU 58 HA LEU 58 0.996 0.571 10.160 427 1HB LEU 58 HB2 LEU 58 2.943 0.982 7.892 428 2HB LEU 58 HB3 LEU 58 2.337 -0.541 8.513 429 HG LEU 58 HG LEU 58 0.735 1.525 7.004 430 1HD1 LEU 58 HD11 LEU 58 0.924 0.234 5.142 431 2HD1 LEU 58 HD12 LEU 58 2.480 -0.123 5.894 432 3HD1 LEU 58 HD13 LEU 58 1.140 -1.257 6.059 433 1HD2 LEU 58 HD21 LEU 58 -0.163 -0.386 8.859 434 2HD2 LEU 58 HD22 LEU 58 -1.131 0.561 7.728 435 3HD2 LEU 58 HD23 LEU 58 -0.536 -1.032 7.262 436 H THR 59 HN THR 59 1.860 1.546 12.136 437 HA THR 59 HA THR 59 4.361 2.573 12.567 438 HB THR 59 HB THR 59 4.219 1.722 14.874 439 HG1 THR 59 HG1 THR 59 3.059 0.004 15.282 440 1HG2 THR 59 HG21 THR 59 1.413 2.467 14.411 441 2HG2 THR 59 HG22 THR 59 2.596 3.554 13.685 442 3HG2 THR 59 HG23 THR 59 2.639 3.235 15.420 443 H ALA 60 HN ALA 60 6.086 1.408 13.967 444 HA ALA 60 HA ALA 60 7.516 -0.333 12.342 445 1HB ALA 60 HB1 ALA 60 8.922 0.670 13.805 446 2HB ALA 60 HB2 ALA 60 7.759 0.621 15.128 447 3HB ALA 60 HB3 ALA 60 8.668 -0.828 14.701 448 H ASP 61 HN ASP 61 5.349 -1.039 15.045 449 HA ASP 61 HA ASP 61 5.896 -3.707 15.470 450 1HB ASP 61 HB2 ASP 61 4.297 -2.417 16.822 451 2HB ASP 61 HB3 ASP 61 3.172 -2.384 15.467 452 H ASP 62 HN ASP 62 4.293 -2.202 12.788 453 HA ASP 62 HA ASP 62 3.115 -4.580 11.727 454 1HB ASP 62 HB2 ASP 62 3.694 -1.934 10.384 455 2HB ASP 62 HB3 ASP 62 2.667 -3.211 9.741 456 H PHE 63 HN PHE 63 6.309 -3.904 12.023 457 HA PHE 63 HA PHE 63 7.518 -4.089 9.602 458 1HB PHE 63 HB2 PHE 63 8.252 -4.857 12.305 459 2HB PHE 63 HB3 PHE 63 9.004 -5.900 11.103 460 HD1 PHE 63 HD1 PHE 63 8.279 -2.242 11.371 461 HD2 PHE 63 HD2 PHE 63 11.130 -5.300 10.589 462 HE1 PHE 63 HE1 PHE 63 9.992 -0.529 10.952 463 HE2 PHE 63 HE2 PHE 63 12.850 -3.594 10.173 464 HZ PHE 63 HZ PHE 63 12.284 -1.206 10.355 465 HA PRO 64 HA PRO 64 7.212 -8.834 9.162 466 1HB PRO 64 HB2 PRO 64 5.977 -10.287 11.086 467 2HB PRO 64 HB3 PRO 64 7.702 -9.902 11.137 468 1HG PRO 64 HG2 PRO 64 5.424 -8.576 12.562 469 2HG PRO 64 HG3 PRO 64 7.022 -9.027 13.186 470 1HD PRO 64 HD2 PRO 64 6.416 -6.497 12.440 471 2HD PRO 64 HD3 PRO 64 8.045 -7.179 12.262 472 H PHE 65 HN PHE 65 5.692 -7.607 7.796 473 HA PHE 65 HA PHE 65 2.898 -7.666 8.375 474 1HB PHE 65 HB2 PHE 65 4.629 -6.473 6.428 475 2HB PHE 65 HB3 PHE 65 3.297 -7.287 5.608 476 HD1 PHE 65 HD1 PHE 65 4.288 -4.247 6.972 477 HD2 PHE 65 HD2 PHE 65 0.985 -6.892 6.794 478 HE1 PHE 65 HE1 PHE 65 2.766 -2.370 7.451 479 HE2 PHE 65 HE2 PHE 65 -0.556 -5.043 7.256 480 HZ PHE 65 HZ PHE 65 0.336 -2.765 7.594 481 H LYS 66 HN LYS 66 1.308 -8.904 7.497 482 HA LYS 66 HA LYS 66 1.962 -11.587 6.827 483 1HB LYS 66 HB2 LYS 66 -0.642 -10.080 6.805 484 2HB LYS 66 HB3 LYS 66 -0.518 -11.798 6.463 485 1HG LYS 66 HG2 LYS 66 0.416 -12.164 8.696 486 2HG LYS 66 HG3 LYS 66 0.273 -10.438 9.032 487 1HD LYS 66 HD2 LYS 66 -2.154 -10.583 8.731 488 2HD LYS 66 HD3 LYS 66 -2.008 -12.311 8.396 489 1HE LYS 66 HE2 LYS 66 -2.697 -11.914 10.704 490 2HE LYS 66 HE3 LYS 66 -1.108 -12.675 10.635 491 1HZ LYS 66 HZ1 LYS 66 -1.599 -9.773 11.038 492 2HZ LYS 66 HZ2 LYS 66 -0.088 -10.532 11.022 493 3HZ LYS 66 HZ3 LYS 66 -1.192 -10.874 12.258 494 H SER 67 HN SER 67 3.369 -10.691 5.002 495 HA SER 67 HA SER 67 3.826 -10.693 2.797 496 1HB SER 67 HB2 SER 67 1.082 -11.920 2.571 497 2HB SER 67 HB3 SER 67 2.281 -11.865 1.284 498 HG SER 67 HG SER 67 2.072 -13.594 3.338 499 H ALA 68 HN ALA 68 3.354 -9.720 0.735 500 HA ALA 68 HA ALA 68 2.603 -7.074 0.877 501 1HB ALA 68 HB1 ALA 68 3.045 -9.001 -1.327 502 2HB ALA 68 HB2 ALA 68 2.236 -7.486 -1.725 503 3HB ALA 68 HB3 ALA 68 3.839 -7.464 -0.988 504 H GLU 69 HN GLU 69 0.576 -9.861 0.434 505 HA GLU 69 HA GLU 69 -1.663 -8.537 -0.676 506 1HB GLU 69 HB2 GLU 69 -2.947 -10.504 0.115 507 2HB GLU 69 HB3 GLU 69 -1.505 -10.953 -0.785 508 1HG GLU 69 HG2 GLU 69 -0.356 -11.331 1.361 509 2HG GLU 69 HG3 GLU 69 -1.870 -10.977 2.188 510 H GLU 70 HN GLU 70 -0.577 -9.145 2.623 511 HA GLU 70 HA GLU 70 -2.891 -8.182 3.925 512 1HB GLU 70 HB2 GLU 70 -1.500 -9.539 5.201 513 2HB GLU 70 HB3 GLU 70 -0.044 -8.728 4.646 514 1HG GLU 70 HG2 GLU 70 -0.326 -8.192 6.903 515 2HG GLU 70 HG3 GLU 70 -0.721 -6.754 5.964 516 H VAL 71 HN VAL 71 0.203 -6.729 3.087 517 HA VAL 71 HA VAL 71 -0.296 -4.197 4.243 518 HB VAL 71 HB VAL 71 1.579 -4.864 1.986 519 1HG1 VAL 71 HG11 VAL 71 1.810 -2.622 1.993 520 2HG1 VAL 71 HG12 VAL 71 1.068 -2.449 3.583 521 3HG1 VAL 71 HG13 VAL 71 2.765 -2.910 3.447 522 1HG2 VAL 71 HG21 VAL 71 2.770 -4.622 4.592 523 2HG2 VAL 71 HG22 VAL 71 1.514 -5.856 4.592 524 3HG2 VAL 71 HG23 VAL 71 2.840 -5.958 3.447 525 H ALA 72 HN ALA 72 -0.642 -5.368 0.906 526 HA ALA 72 HA ALA 72 -1.353 -2.959 -0.276 527 1HB ALA 72 HB1 ALA 72 -2.473 -5.657 -1.015 528 2HB ALA 72 HB2 ALA 72 -2.296 -4.247 -2.061 529 3HB ALA 72 HB3 ALA 72 -0.867 -5.093 -1.470 530 H ASP 73 HN ASP 73 -3.380 -5.381 1.326 531 HA ASP 73 HA ASP 73 -5.829 -3.993 0.917 532 1HB ASP 73 HB2 ASP 73 -5.045 -6.172 2.863 533 2HB ASP 73 HB3 ASP 73 -6.687 -5.553 2.700 534 H THR 74 HN THR 74 -3.536 -4.190 3.609 535 HA THR 74 HA THR 74 -4.966 -2.722 5.497 536 HB THR 74 HB THR 74 -1.964 -2.788 5.123 537 HG1 THR 74 HG1 THR 74 -3.656 -4.421 6.737 538 1HG2 THR 74 HG21 THR 74 -3.704 -2.023 7.463 539 2HG2 THR 74 HG22 THR 74 -2.506 -1.028 6.636 540 3HG2 THR 74 HG23 THR 74 -1.988 -2.402 7.613 541 H ILE 75 HN ILE 75 -2.633 -1.598 3.061 542 HA ILE 75 HA ILE 75 -2.619 1.105 3.748 543 HB ILE 75 HB ILE 75 -2.228 -0.197 1.050 544 1HG1 ILE 75 HG12 ILE 75 -0.255 0.841 3.095 545 2HG1 ILE 75 HG13 ILE 75 -0.610 -0.853 2.782 546 1HG2 ILE 75 HG21 ILE 75 -2.146 1.805 0.102 547 2HG2 ILE 75 HG22 ILE 75 -2.565 2.560 1.638 548 3HG2 ILE 75 HG23 ILE 75 -0.874 2.291 1.222 549 1HD1 ILE 75 HD11 ILE 75 0.756 -0.922 1.026 550 2HD1 ILE 75 HD12 ILE 75 0.177 0.623 0.399 551 3HD1 ILE 75 HD13 ILE 75 1.413 0.589 1.656 552 H VAL 76 HN VAL 76 -4.554 -0.514 1.211 553 HA VAL 76 HA VAL 76 -6.036 1.733 0.473 554 HB VAL 76 HB VAL 76 -7.748 0.093 -0.363 555 1HG1 VAL 76 HG11 VAL 76 -4.934 0.315 -1.116 556 2HG1 VAL 76 HG12 VAL 76 -5.718 -1.145 -1.722 557 3HG1 VAL 76 HG13 VAL 76 -6.389 0.441 -2.105 558 1HG2 VAL 76 HG21 VAL 76 -7.043 -2.305 -0.327 559 2HG2 VAL 76 HG22 VAL 76 -5.824 -1.874 0.868 560 3HG2 VAL 76 HG23 VAL 76 -7.535 -1.669 1.243 561 H ASN 77 HN ASN 77 -6.757 -0.729 2.934 562 HA ASN 77 HA ASN 77 -9.318 0.212 3.602 563 1HB ASN 77 HB2 ASN 77 -7.276 -1.369 5.160 564 2HB ASN 77 HB3 ASN 77 -8.866 -0.978 5.812 565 1HD2 ASN 77 HD21 ASN 77 -10.204 -2.610 5.656 566 2HD2 ASN 77 HD22 ASN 77 -10.303 -3.733 4.348 567 H LYS 78 HN LYS 78 -6.210 0.808 5.261 568 HA LYS 78 HA LYS 78 -7.335 2.685 7.077 569 1HB LYS 78 HB2 LYS 78 -4.471 2.130 6.311 570 2HB LYS 78 HB3 LYS 78 -4.962 3.163 7.649 571 1HG LYS 78 HG2 LYS 78 -6.083 1.246 8.701 572 2HG LYS 78 HG3 LYS 78 -5.535 0.217 7.376 573 1HD LYS 78 HD2 LYS 78 -3.219 0.649 7.970 574 2HD LYS 78 HD3 LYS 78 -3.733 1.751 9.250 575 1HE LYS 78 HE2 LYS 78 -4.847 -0.094 10.397 576 2HE LYS 78 HE3 LYS 78 -4.364 -1.197 9.110 577 1HZ LYS 78 HZ1 LYS 78 -2.930 -1.265 11.118 578 2HZ LYS 78 HZ2 LYS 78 -2.442 0.320 10.786 579 3HZ LYS 78 HZ3 LYS 78 -2.087 -0.920 9.692 580 H ALA 79 HN ALA 79 -5.500 3.008 4.069 581 HA ALA 79 HA ALA 79 -5.185 5.813 4.207 582 1HB ALA 79 HB1 ALA 79 -5.279 4.222 1.657 583 2HB ALA 79 HB2 ALA 79 -4.392 5.711 1.989 584 3HB ALA 79 HB3 ALA 79 -3.894 4.201 2.751 585 H GLY 80 HN GLY 80 -7.822 3.804 3.042 586 1HA GLY 80 HA1 GLY 80 -9.841 5.578 3.242 587 2HA GLY 80 HA2 GLY 80 -9.108 6.038 1.711 588 H LEU 81 HN LEU 81 -8.558 3.864 0.413 589 HA LEU 81 HA LEU 81 -11.085 2.893 -0.416 590 1HB LEU 81 HB2 LEU 81 -8.394 1.739 -1.122 591 2HB LEU 81 HB3 LEU 81 -9.878 1.658 -2.058 592 HG LEU 81 HG LEU 81 -8.522 4.280 -1.454 593 1HD1 LEU 81 HD11 LEU 81 -7.965 2.295 -3.637 594 2HD1 LEU 81 HD12 LEU 81 -7.702 4.022 -3.875 595 3HD1 LEU 81 HD13 LEU 81 -6.827 3.163 -2.608 596 1HD2 LEU 81 HD21 LEU 81 -10.991 3.775 -2.434 597 2HD2 LEU 81 HD22 LEU 81 -10.041 5.207 -2.829 598 3HD2 LEU 81 HD23 LEU 81 -10.052 3.827 -3.926 Start of MODEL 10 1 1H GLY -3 HT1 GLY -3 -21.221 1.498 6.147 2 2H GLY -3 HT2 GLY -3 -19.635 1.513 5.559 3 3H GLY -3 HT3 GLY -3 -20.930 1.774 4.503 4 1HA GLY -3 HA2 GLY -3 -21.434 3.745 6.134 5 2HA GLY -3 HA1 GLY -3 -19.713 3.592 6.450 6 H SER -2 HN SER -2 -18.767 2.904 3.945 7 HA SER -2 HA SER -2 -18.522 5.401 2.706 8 1HB SER -2 HB2 SER -2 -16.842 3.637 2.449 9 2HB SER -2 HB3 SER -2 -17.997 2.650 1.553 10 HG SER -2 HG SER -2 -16.784 3.696 0.042 11 H HIS -1 HN HIS -1 -19.570 6.397 1.070 12 HA HIS -1 HA HIS -1 -22.213 5.660 0.452 13 1HB HIS -1 HB2 HIS -1 -20.347 7.623 -0.889 14 2HB HIS -1 HB3 HIS -1 -22.052 7.460 -1.295 15 HD1 HIS -1 HD1 HIS -1 -20.071 8.011 1.925 16 HD2 HIS -1 HD2 HIS -1 -23.524 9.296 0.006 17 HE1 HIS -1 HE1 HIS -1 -21.086 9.730 3.450 18 HE2 HIS -1 HE2 HIS -1 -23.126 10.559 2.227 19 H MET 1 HN MET 1 -19.183 5.293 -1.336 20 HA MET 1 HA MET 1 -20.032 2.981 -2.686 21 1HB MET 1 HB2 MET 1 -21.479 4.521 -3.920 22 2HB MET 1 HB3 MET 1 -20.088 5.508 -4.346 23 1HG MET 1 HG2 MET 1 -19.155 3.639 -5.618 24 2HG MET 1 HG3 MET 1 -20.561 2.662 -5.202 25 1HE MET 1 HE1 MET 1 -22.804 3.823 -5.251 26 2HE MET 1 HE2 MET 1 -23.184 5.263 -6.198 27 3HE MET 1 HE3 MET 1 -23.373 3.661 -6.912 28 H LYS 2 HN LYS 2 -18.306 1.928 -3.517 29 HA LYS 2 HA LYS 2 -15.706 3.013 -3.087 30 1HB LYS 2 HB2 LYS 2 -16.616 0.454 -4.413 31 2HB LYS 2 HB3 LYS 2 -14.935 0.854 -4.106 32 1HG LYS 2 HG2 LYS 2 -17.080 0.500 -2.023 33 2HG LYS 2 HG3 LYS 2 -15.810 -0.658 -2.418 34 1HD LYS 2 HD2 LYS 2 -15.312 2.135 -1.391 35 2HD LYS 2 HD3 LYS 2 -15.356 0.696 -0.375 36 1HE LYS 2 HE2 LYS 2 -13.073 1.131 -0.826 37 2HE LYS 2 HE3 LYS 2 -13.525 -0.247 -1.823 38 1HZ LYS 2 HZ1 LYS 2 -12.294 2.018 -2.688 39 2HZ LYS 2 HZ2 LYS 2 -13.898 2.255 -3.166 40 3HZ LYS 2 HZ3 LYS 2 -13.060 0.874 -3.671 41 H MET 3 HN MET 3 -14.316 3.902 -4.511 42 HA MET 3 HA MET 3 -15.277 4.989 -6.892 43 1HB MET 3 HB2 MET 3 -12.405 4.515 -6.070 44 2HB MET 3 HB3 MET 3 -12.927 5.586 -7.363 45 1HG MET 3 HG2 MET 3 -14.110 6.974 -5.750 46 2HG MET 3 HG3 MET 3 -13.615 5.892 -4.449 47 1HE MET 3 HE1 MET 3 -12.368 7.503 -7.507 48 2HE MET 3 HE2 MET 3 -11.507 8.909 -6.881 49 3HE MET 3 HE3 MET 3 -10.623 7.431 -7.264 50 H GLY 4 HN GLY 4 -13.221 2.146 -6.339 51 1HA GLY 4 HA1 GLY 4 -13.877 0.243 -7.866 52 2HA GLY 4 HA2 GLY 4 -13.656 1.405 -9.166 53 H VAL 5 HN VAL 5 -11.331 2.672 -8.215 54 HA VAL 5 HA VAL 5 -9.373 0.878 -9.179 55 HB VAL 5 HB VAL 5 -9.359 3.450 -9.238 56 1HG1 VAL 5 HG11 VAL 5 -9.426 3.583 -6.698 57 2HG1 VAL 5 HG12 VAL 5 -7.724 3.100 -6.745 58 3HG1 VAL 5 HG13 VAL 5 -8.240 4.610 -7.507 59 1HG2 VAL 5 HG21 VAL 5 -7.630 2.283 -10.316 60 2HG2 VAL 5 HG22 VAL 5 -6.865 3.507 -9.306 61 3HG2 VAL 5 HG23 VAL 5 -6.894 1.828 -8.778 62 H LYS 6 HN LYS 6 -10.767 0.982 -6.116 63 HA LYS 6 HA LYS 6 -8.720 0.814 -4.317 64 1HB LYS 6 HB2 LYS 6 -11.095 0.559 -3.706 65 2HB LYS 6 HB3 LYS 6 -11.120 -1.031 -4.450 66 1HG LYS 6 HG2 LYS 6 -9.285 -0.362 -2.170 67 2HG LYS 6 HG3 LYS 6 -10.937 -0.923 -1.920 68 1HD LYS 6 HD2 LYS 6 -10.366 -2.938 -3.300 69 2HD LYS 6 HD3 LYS 6 -8.690 -2.392 -3.293 70 1HE LYS 6 HE2 LYS 6 -9.064 -4.059 -1.562 71 2HE LYS 6 HE3 LYS 6 -8.654 -2.496 -0.857 72 1HZ LYS 6 HZ1 LYS 6 -10.893 -2.128 -0.257 73 2HZ LYS 6 HZ2 LYS 6 -10.535 -3.709 0.228 74 3HZ LYS 6 HZ3 LYS 6 -11.445 -3.440 -1.172 75 H GLU 7 HN GLU 7 -9.884 -1.748 -6.462 76 HA GLU 7 HA GLU 7 -7.775 -3.553 -5.701 77 1HB GLU 7 HB2 GLU 7 -9.946 -4.430 -6.417 78 2HB GLU 7 HB3 GLU 7 -9.752 -3.673 -7.991 79 1HG GLU 7 HG2 GLU 7 -7.819 -5.099 -8.439 80 2HG GLU 7 HG3 GLU 7 -8.018 -5.860 -6.860 81 H ASP 8 HN ASP 8 -8.347 -1.203 -8.259 82 HA ASP 8 HA ASP 8 -6.321 -2.032 -10.008 83 1HB ASP 8 HB2 ASP 8 -7.843 0.464 -9.667 84 2HB ASP 8 HB3 ASP 8 -6.469 0.449 -10.763 85 H ILE 9 HN ILE 9 -6.243 0.560 -7.582 86 HA ILE 9 HA ILE 9 -3.515 1.201 -7.939 87 HB ILE 9 HB ILE 9 -5.490 1.727 -5.720 88 1HG1 ILE 9 HG12 ILE 9 -4.033 3.531 -7.660 89 2HG1 ILE 9 HG13 ILE 9 -5.714 3.031 -7.771 90 1HG2 ILE 9 HG21 ILE 9 -2.564 1.921 -5.597 91 2HG2 ILE 9 HG22 ILE 9 -3.422 3.380 -5.104 92 3HG2 ILE 9 HG23 ILE 9 -3.755 1.848 -4.298 93 1HD1 ILE 9 HD11 ILE 9 -6.085 5.009 -6.788 94 2HD1 ILE 9 HD12 ILE 9 -5.706 4.120 -5.313 95 3HD1 ILE 9 HD13 ILE 9 -4.464 5.090 -6.101 96 H ARG 10 HN ARG 10 -5.281 -0.842 -5.642 97 HA ARG 10 HA ARG 10 -3.103 -1.736 -4.113 98 1HB ARG 10 HB2 ARG 10 -5.660 -2.144 -3.782 99 2HB ARG 10 HB3 ARG 10 -5.439 -3.496 -4.877 100 1HG ARG 10 HG2 ARG 10 -3.739 -4.420 -3.333 101 2HG ARG 10 HG3 ARG 10 -4.109 -3.110 -2.207 102 1HD ARG 10 HD2 ARG 10 -5.313 -5.146 -1.608 103 2HD ARG 10 HD3 ARG 10 -6.427 -3.863 -2.081 104 HE ARG 10 HE ARG 10 -5.852 -5.423 -4.335 105 1HH1 ARG 10 HH12 ARG 10 -7.517 -5.681 -1.278 106 2HH1 ARG 10 HH11 ARG 10 -8.645 -6.863 -1.851 107 1HH2 ARG 10 HH22 ARG 10 -7.334 -6.979 -5.088 108 2HH2 ARG 10 HH21 ARG 10 -8.540 -7.601 -4.014 109 H GLY 11 HN GLY 11 -4.234 -2.533 -7.303 110 1HA GLY 11 HA1 GLY 11 -2.823 -4.986 -7.626 111 2HA GLY 11 HA2 GLY 11 -3.376 -3.932 -8.928 112 H GLN 12 HN GLN 12 -2.085 -1.615 -8.241 113 HA GLN 12 HA GLN 12 0.508 -2.045 -9.318 114 1HB GLN 12 HB2 GLN 12 -0.581 0.429 -7.958 115 2HB GLN 12 HB3 GLN 12 0.795 0.350 -9.045 116 1HG GLN 12 HG2 GLN 12 -0.718 -0.353 -10.860 117 2HG GLN 12 HG3 GLN 12 -2.077 -0.161 -9.757 118 1HE2 GLN 12 HE21 GLN 12 0.087 2.195 -8.948 119 2HE2 GLN 12 HE22 GLN 12 -0.529 3.485 -9.915 120 H ILE 13 HN ILE 13 -0.819 -1.630 -6.111 121 HA ILE 13 HA ILE 13 1.631 -1.140 -4.761 122 HB ILE 13 HB ILE 13 -0.991 -2.185 -3.691 123 1HG1 ILE 13 HG12 ILE 13 0.208 0.594 -3.684 124 2HG1 ILE 13 HG13 ILE 13 -1.135 0.060 -4.688 125 1HG2 ILE 13 HG21 ILE 13 -0.147 -1.485 -1.487 126 2HG2 ILE 13 HG22 ILE 13 0.819 -2.781 -2.193 127 3HG2 ILE 13 HG23 ILE 13 1.416 -1.122 -2.218 128 1HD1 ILE 13 HD11 ILE 13 -1.128 1.008 -1.967 129 2HD1 ILE 13 HD12 ILE 13 -2.475 0.792 -3.086 130 3HD1 ILE 13 HD13 ILE 13 -1.918 -0.563 -2.105 131 H ILE 14 HN ILE 14 -0.320 -4.075 -5.257 132 HA ILE 14 HA ILE 14 1.248 -5.816 -3.738 133 HB ILE 14 HB ILE 14 -0.626 -6.191 -6.036 134 1HG1 ILE 14 HG12 ILE 14 -1.527 -5.880 -3.786 135 2HG1 ILE 14 HG13 ILE 14 -1.856 -7.515 -4.351 136 1HG2 ILE 14 HG21 ILE 14 1.372 -8.182 -5.081 137 2HG2 ILE 14 HG22 ILE 14 -0.251 -8.747 -5.475 138 3HG2 ILE 14 HG23 ILE 14 0.718 -7.925 -6.698 139 1HD1 ILE 14 HD11 ILE 14 -0.319 -6.603 -2.066 140 2HD1 ILE 14 HD12 ILE 14 -1.055 -8.171 -2.391 141 3HD1 ILE 14 HD13 ILE 14 0.536 -7.793 -3.047 142 H GLY 15 HN GLY 15 1.410 -5.128 -7.240 143 1HA GLY 15 HA1 GLY 15 3.719 -6.712 -7.701 144 2HA GLY 15 HA2 GLY 15 3.131 -5.421 -8.744 145 H ALA 16 HN ALA 16 3.206 -3.375 -6.786 146 HA ALA 16 HA ALA 16 5.851 -2.451 -7.086 147 1HB ALA 16 HB1 ALA 16 4.442 -0.681 -6.907 148 2HB ALA 16 HB2 ALA 16 3.379 -1.495 -5.748 149 3HB ALA 16 HB3 ALA 16 4.906 -0.795 -5.210 150 H LEU 17 HN LEU 17 4.287 -4.321 -4.627 151 HA LEU 17 HA LEU 17 6.293 -3.837 -2.609 152 1HB LEU 17 HB2 LEU 17 3.900 -5.655 -2.793 153 2HB LEU 17 HB3 LEU 17 5.017 -5.724 -1.447 154 HG LEU 17 HG LEU 17 3.542 -3.209 -2.221 155 1HD1 LEU 17 HD11 LEU 17 2.268 -3.904 -0.020 156 2HD1 LEU 17 HD12 LEU 17 1.738 -4.464 -1.607 157 3HD1 LEU 17 HD13 LEU 17 2.688 -5.526 -0.567 158 1HD2 LEU 17 HD21 LEU 17 4.559 -2.230 -0.483 159 2HD2 LEU 17 HD22 LEU 17 4.381 -3.648 0.550 160 3HD2 LEU 17 HD23 LEU 17 5.713 -3.556 -0.601 161 H ALA 18 HN ALA 18 5.590 -6.158 -5.085 162 HA ALA 18 HA ALA 18 7.114 -8.335 -4.223 163 1HB ALA 18 HB1 ALA 18 5.524 -8.083 -6.256 164 2HB ALA 18 HB2 ALA 18 6.985 -7.600 -7.119 165 3HB ALA 18 HB3 ALA 18 6.893 -9.190 -6.362 166 H GLY 19 HN GLY 19 9.251 -8.898 -4.360 167 1HA GLY 19 HA1 GLY 19 11.448 -8.644 -5.330 168 2HA GLY 19 HA2 GLY 19 11.086 -6.944 -5.588 169 H ALA 20 HN ALA 20 9.938 -6.631 -2.900 170 HA ALA 20 HA ALA 20 12.100 -5.625 -1.515 171 1HB ALA 20 HB1 ALA 20 9.796 -6.746 0.011 172 2HB ALA 20 HB2 ALA 20 10.654 -5.220 0.225 173 3HB ALA 20 HB3 ALA 20 9.528 -5.417 -1.118 174 H ASP 21 HN ASP 21 12.385 -6.443 0.934 175 HA ASP 21 HA ASP 21 14.040 -8.714 0.839 176 1HB ASP 21 HB2 ASP 21 12.843 -7.019 3.018 177 2HB ASP 21 HB3 ASP 21 13.708 -8.505 3.443 178 H PHE 22 HN PHE 22 12.176 -9.363 3.575 179 HA PHE 22 HA PHE 22 11.174 -11.770 2.474 180 1HB PHE 22 HB2 PHE 22 10.144 -12.174 4.588 181 2HB PHE 22 HB3 PHE 22 11.605 -11.289 4.961 182 HD1 PHE 22 HD1 PHE 22 11.014 -10.334 7.044 183 HD2 PHE 22 HD2 PHE 22 8.421 -9.841 3.729 184 HE1 PHE 22 HE1 PHE 22 9.733 -8.740 8.348 185 HE2 PHE 22 HE2 PHE 22 7.103 -8.218 5.031 186 HZ PHE 22 HZ PHE 22 7.768 -7.653 7.325 187 HA PRO 23 HA PRO 23 7.353 -10.345 0.809 188 1HB PRO 23 HB2 PRO 23 5.198 -11.236 2.168 189 2HB PRO 23 HB3 PRO 23 6.198 -12.287 1.167 190 1HG PRO 23 HG2 PRO 23 6.173 -11.952 4.129 191 2HG PRO 23 HG3 PRO 23 6.364 -13.427 3.165 192 1HD PRO 23 HD2 PRO 23 8.441 -12.076 4.335 193 2HD PRO 23 HD3 PRO 23 8.619 -13.100 2.896 194 H ILE 24 HN ILE 24 8.402 -8.253 2.010 195 HA ILE 24 HA ILE 24 7.435 -6.088 2.214 196 HB ILE 24 HB ILE 24 5.410 -7.427 3.983 197 1HG1 ILE 24 HG12 ILE 24 5.170 -7.873 1.570 198 2HG1 ILE 24 HG13 ILE 24 3.862 -6.853 2.165 199 1HG2 ILE 24 HG21 ILE 24 6.259 -4.745 3.994 200 2HG2 ILE 24 HG22 ILE 24 4.702 -4.778 3.176 201 3HG2 ILE 24 HG23 ILE 24 4.859 -5.435 4.798 202 1HD1 ILE 24 HD11 ILE 24 5.683 -5.005 1.396 203 2HD1 ILE 24 HD12 ILE 24 5.976 -6.293 0.228 204 3HD1 ILE 24 HD13 ILE 24 4.363 -5.601 0.390 205 H ASN 25 HN ASN 25 9.713 -6.298 3.276 206 HA ASN 25 HA ASN 25 9.962 -6.408 6.105 207 1HB ASN 25 HB2 ASN 25 11.646 -5.401 3.860 208 2HB ASN 25 HB3 ASN 25 12.047 -4.865 5.491 209 1HD2 ASN 25 HD21 ASN 25 10.628 -7.969 5.174 210 2HD2 ASN 25 HD22 ASN 25 12.066 -8.886 5.442 211 H SER 26 HN SER 26 7.882 -4.962 6.341 212 HA SER 26 HA SER 26 6.979 -3.001 7.070 213 1HB SER 26 HB2 SER 26 8.340 -1.543 8.362 214 2HB SER 26 HB3 SER 26 9.068 -3.135 8.561 215 HG SER 26 HG SER 26 10.120 -0.888 7.478 216 HA PRO 27 HA PRO 27 6.697 -0.347 3.647 217 1HB PRO 27 HB2 PRO 27 6.963 2.008 5.447 218 2HB PRO 27 HB3 PRO 27 5.709 1.647 4.255 219 1HG PRO 27 HG2 PRO 27 5.263 1.347 6.878 220 2HG PRO 27 HG3 PRO 27 4.565 0.238 5.683 221 1HD PRO 27 HD2 PRO 27 6.837 -0.184 7.559 222 2HD PRO 27 HD3 PRO 27 5.656 -1.351 6.929 223 H GLU 28 HN GLU 28 9.229 0.494 5.953 224 HA GLU 28 HA GLU 28 10.740 2.180 4.359 225 1HB GLU 28 HB2 GLU 28 11.793 0.074 6.256 226 2HB GLU 28 HB3 GLU 28 12.669 1.490 5.693 227 1HG GLU 28 HG2 GLU 28 10.178 1.515 7.382 228 2HG GLU 28 HG3 GLU 28 11.822 1.795 7.954 229 H GLU 29 HN GLU 29 11.094 -1.368 4.647 230 HA GLU 29 HA GLU 29 12.965 -1.547 2.510 231 1HB GLU 29 HB2 GLU 29 12.746 -3.106 4.435 232 2HB GLU 29 HB3 GLU 29 11.241 -3.673 3.684 233 1HG GLU 29 HG2 GLU 29 13.179 -5.124 3.168 234 2HG GLU 29 HG3 GLU 29 12.453 -4.403 1.731 235 H LEU 30 HN LEU 30 9.611 -2.794 2.814 236 HA LEU 30 HA LEU 30 9.334 -3.735 0.252 237 1HB LEU 30 HB2 LEU 30 6.967 -3.584 0.552 238 2HB LEU 30 HB3 LEU 30 7.677 -3.983 2.103 239 HG LEU 30 HG LEU 30 7.567 -1.436 2.546 240 1HD1 LEU 30 HD11 LEU 30 6.412 -1.551 -0.039 241 2HD1 LEU 30 HD12 LEU 30 5.157 -1.073 1.104 242 3HD1 LEU 30 HD13 LEU 30 6.656 -0.148 0.998 243 1HD2 LEU 30 HD21 LEU 30 5.182 -1.669 3.289 244 2HD2 LEU 30 HD22 LEU 30 5.166 -3.241 2.495 245 3HD2 LEU 30 HD23 LEU 30 6.268 -2.943 3.839 246 H MET 31 HN MET 31 9.029 -0.428 1.444 247 HA MET 31 HA MET 31 8.168 0.733 -0.991 248 1HB MET 31 HB2 MET 31 9.571 1.852 1.419 249 2HB MET 31 HB3 MET 31 9.345 2.829 -0.015 250 1HG MET 31 HG2 MET 31 6.923 2.464 0.139 251 2HG MET 31 HG3 MET 31 7.173 1.578 1.643 252 1HE MET 31 HE1 MET 31 9.397 2.957 2.991 253 2HE MET 31 HE2 MET 31 8.911 4.465 3.763 254 3HE MET 31 HE3 MET 31 7.995 2.988 4.060 255 H ALA 32 HN ALA 32 11.315 -0.095 0.410 256 HA ALA 32 HA ALA 32 12.855 1.208 -1.610 257 1HB ALA 32 HB1 ALA 32 14.261 0.767 0.072 258 2HB ALA 32 HB2 ALA 32 13.363 -0.659 0.591 259 3HB ALA 32 HB3 ALA 32 14.490 -0.771 -0.760 260 H ALA 33 HN ALA 33 11.170 -1.794 -1.438 261 HA ALA 33 HA ALA 33 12.505 -3.218 -3.477 262 1HB ALA 33 HB1 ALA 33 10.818 -4.784 -3.257 263 2HB ALA 33 HB2 ALA 33 10.869 -4.019 -1.668 264 3HB ALA 33 HB3 ALA 33 9.613 -3.571 -2.824 265 H LEU 34 HN LEU 34 9.633 -1.168 -3.480 266 HA LEU 34 HA LEU 34 8.451 -1.548 -5.806 267 1HB LEU 34 HB2 LEU 34 9.140 1.052 -4.506 268 2HB LEU 34 HB3 LEU 34 8.250 1.024 -6.018 269 HG LEU 34 HG LEU 34 6.560 -0.462 -4.911 270 1HD1 LEU 34 HD11 LEU 34 6.665 -0.080 -2.305 271 2HD1 LEU 34 HD12 LEU 34 7.452 -1.454 -3.080 272 3HD1 LEU 34 HD13 LEU 34 8.395 -0.035 -2.634 273 1HD2 LEU 34 HD21 LEU 34 5.710 1.640 -5.042 274 2HD2 LEU 34 HD22 LEU 34 5.803 1.487 -3.289 275 3HD2 LEU 34 HD23 LEU 34 7.057 2.357 -4.164 276 HA PRO 35 HA PRO 35 10.790 -1.463 -9.453 277 1HB PRO 35 HB2 PRO 35 8.858 0.613 -10.389 278 2HB PRO 35 HB3 PRO 35 9.374 -0.880 -11.178 279 1HG PRO 35 HG2 PRO 35 6.995 -0.698 -9.947 280 2HG PRO 35 HG3 PRO 35 7.946 -2.194 -9.925 281 1HD PRO 35 HD2 PRO 35 7.452 -0.233 -7.771 282 2HD PRO 35 HD3 PRO 35 7.820 -1.964 -7.664 283 H ASN 36 HN ASN 36 9.699 1.809 -8.543 284 HA ASN 36 HA ASN 36 11.853 3.119 -9.873 285 1HB ASN 36 HB2 ASN 36 11.030 5.115 -8.584 286 2HB ASN 36 HB3 ASN 36 9.790 4.297 -9.538 287 1HD2 ASN 36 HD21 ASN 36 10.321 5.695 -6.664 288 2HD2 ASN 36 HD22 ASN 36 9.190 4.835 -5.706 289 H GLY 37 HN GLY 37 11.436 1.786 -6.683 290 1HA GLY 37 HA1 GLY 37 13.563 1.244 -5.544 291 2HA GLY 37 HA2 GLY 37 14.090 2.867 -5.954 292 HA PRO 38 HA PRO 38 12.728 4.461 -2.085 293 1HB PRO 38 HB2 PRO 38 11.227 6.669 -2.825 294 2HB PRO 38 HB3 PRO 38 12.986 6.642 -2.677 295 1HG PRO 38 HG2 PRO 38 11.284 6.395 -5.117 296 2HG PRO 38 HG3 PRO 38 12.823 7.249 -4.902 297 1HD PRO 38 HD2 PRO 38 12.696 4.866 -6.138 298 2HD PRO 38 HD3 PRO 38 14.074 5.304 -5.105 299 H ASP 39 HN ASP 39 9.939 5.416 -4.046 300 HA ASP 39 HA ASP 39 8.233 3.360 -3.311 301 1HB ASP 39 HB2 ASP 39 6.783 4.793 -1.754 302 2HB ASP 39 HB3 ASP 39 8.211 4.031 -1.074 303 H THR 40 HN THR 40 7.652 3.585 -5.486 304 HA THR 40 HA THR 40 6.743 5.947 -6.697 305 HB THR 40 HB THR 40 7.343 4.160 -8.143 306 HG1 THR 40 HG1 THR 40 5.592 5.401 -8.907 307 1HG2 THR 40 HG21 THR 40 6.930 2.260 -6.674 308 2HG2 THR 40 HG22 THR 40 6.105 2.021 -8.212 309 3HG2 THR 40 HG23 THR 40 5.190 2.526 -6.793 310 H THR 41 HN THR 41 4.808 6.924 -6.835 311 HA THR 41 HA THR 41 2.755 6.117 -4.966 312 HB THR 41 HB THR 41 2.727 8.451 -6.886 313 HG1 THR 41 HG1 THR 41 4.351 9.013 -5.591 314 1HG2 THR 41 HG21 THR 41 1.046 7.638 -4.540 315 2HG2 THR 41 HG22 THR 41 0.538 8.184 -6.139 316 3HG2 THR 41 HG23 THR 41 1.209 9.336 -4.986 317 H CYS 42 HN CYS 42 1.003 4.952 -5.456 318 HA CYS 42 HA CYS 42 0.496 4.273 -8.240 319 1HB CYS 42 HB2 CYS 42 -0.851 3.260 -5.724 320 2HB CYS 42 HB3 CYS 42 -1.067 2.607 -7.347 321 HG CYS 42 HG CYS 42 1.638 1.789 -7.557 322 H LYS 43 HN LYS 43 -0.010 6.908 -7.825 323 HA LYS 43 HA LYS 43 -2.742 7.414 -7.154 324 1HB LYS 43 HB2 LYS 43 -2.280 9.694 -7.961 325 2HB LYS 43 HB3 LYS 43 -1.059 9.138 -6.823 326 1HG LYS 43 HG2 LYS 43 0.449 8.644 -8.679 327 2HG LYS 43 HG3 LYS 43 -0.778 9.190 -9.822 328 1HD LYS 43 HD2 LYS 43 -0.708 11.425 -8.828 329 2HD LYS 43 HD3 LYS 43 0.515 10.877 -7.680 330 1HE LYS 43 HE2 LYS 43 2.033 10.387 -9.534 331 2HE LYS 43 HE3 LYS 43 0.810 10.930 -10.682 332 1HZ LYS 43 HZ1 LYS 43 1.590 12.789 -8.568 333 2HZ LYS 43 HZ2 LYS 43 1.165 13.098 -10.175 334 3HZ LYS 43 HZ3 LYS 43 2.709 12.515 -9.807 335 H SER 44 HN SER 44 -4.438 7.970 -8.524 336 HA SER 44 HA SER 44 -4.055 7.579 -11.397 337 1HB SER 44 HB2 SER 44 -6.139 6.110 -9.760 338 2HB SER 44 HB3 SER 44 -6.019 6.086 -11.520 339 HG SER 44 HG SER 44 -4.234 5.008 -9.615 340 H GLY 45 HN GLY 45 -5.069 9.104 -12.524 341 1HA GLY 45 HA1 GLY 45 -6.567 10.745 -13.114 342 2HA GLY 45 HA2 GLY 45 -7.658 10.093 -11.903 343 H ASP 46 HN ASP 46 -6.677 10.551 -9.545 344 HA ASP 46 HA ASP 46 -5.430 13.144 -9.310 345 1HB ASP 46 HB2 ASP 46 -8.287 12.745 -8.391 346 2HB ASP 46 HB3 ASP 46 -7.288 14.140 -8.006 347 H VAL 47 HN VAL 47 -7.180 10.528 -7.691 348 HA VAL 47 HA VAL 47 -6.187 11.027 -5.093 349 HB VAL 47 HB VAL 47 -7.104 8.378 -6.222 350 1HG1 VAL 47 HG11 VAL 47 -5.934 8.798 -3.838 351 2HG1 VAL 47 HG12 VAL 47 -7.614 9.126 -3.416 352 3HG1 VAL 47 HG13 VAL 47 -7.170 7.570 -4.116 353 1HG2 VAL 47 HG21 VAL 47 -8.839 9.935 -6.673 354 2HG2 VAL 47 HG22 VAL 47 -9.319 9.044 -5.228 355 3HG2 VAL 47 HG23 VAL 47 -8.675 10.680 -5.083 356 H GLU 48 HN GLU 48 -4.405 10.288 -4.020 357 HA GLU 48 HA GLU 48 -2.499 8.647 -5.560 358 1HB GLU 48 HB2 GLU 48 -1.702 10.783 -3.585 359 2HB GLU 48 HB3 GLU 48 -0.676 9.933 -4.731 360 1HG GLU 48 HG2 GLU 48 -1.809 11.048 -6.582 361 2HG GLU 48 HG3 GLU 48 -2.845 11.896 -5.437 362 H LEU 49 HN LEU 49 -1.695 6.893 -4.549 363 HA LEU 49 HA LEU 49 -1.786 6.722 -1.636 364 1HB LEU 49 HB2 LEU 49 -3.178 4.815 -3.499 365 2HB LEU 49 HB3 LEU 49 -2.696 4.345 -1.883 366 HG LEU 49 HG LEU 49 -4.994 4.918 -1.795 367 1HD1 LEU 49 HD11 LEU 49 -3.417 7.245 -0.709 368 2HD1 LEU 49 HD12 LEU 49 -5.023 6.732 -0.191 369 3HD1 LEU 49 HD13 LEU 49 -3.632 5.684 0.084 370 1HD2 LEU 49 HD21 LEU 49 -4.934 7.705 -2.517 371 2HD2 LEU 49 HD22 LEU 49 -4.393 6.695 -3.859 372 3HD2 LEU 49 HD23 LEU 49 -5.965 6.407 -3.117 373 H LYS 50 HN LYS 50 -0.230 5.459 -0.741 374 HA LYS 50 HA LYS 50 1.225 3.443 -2.017 375 1HB LYS 50 HB2 LYS 50 3.401 4.609 -2.320 376 2HB LYS 50 HB3 LYS 50 2.156 5.145 -3.440 377 1HG LYS 50 HG2 LYS 50 1.833 7.170 -2.245 378 2HG LYS 50 HG3 LYS 50 2.821 6.600 -0.899 379 1HD LYS 50 HD2 LYS 50 4.804 6.671 -2.241 380 2HD LYS 50 HD3 LYS 50 3.868 7.017 -3.693 381 1HE LYS 50 HE2 LYS 50 3.188 9.162 -2.759 382 2HE LYS 50 HE3 LYS 50 4.078 8.813 -1.278 383 1HZ LYS 50 HZ1 LYS 50 5.429 8.852 -3.905 384 2HZ LYS 50 HZ2 LYS 50 6.110 9.015 -2.365 385 3HZ LYS 50 HZ3 LYS 50 5.192 10.275 -3.021 386 H ALA 51 HN ALA 51 3.217 2.846 -0.774 387 HA ALA 51 HA ALA 51 2.652 2.606 1.929 388 1HB ALA 51 HB1 ALA 51 5.017 2.103 0.230 389 2HB ALA 51 HB2 ALA 51 5.290 2.197 1.971 390 3HB ALA 51 HB3 ALA 51 4.148 1.023 1.319 391 H SER 52 HN SER 52 4.432 5.123 0.251 392 HA SER 52 HA SER 52 5.676 6.248 2.525 393 1HB SER 52 HB2 SER 52 6.464 6.759 0.285 394 2HB SER 52 HB3 SER 52 4.925 7.523 -0.112 395 HG SER 52 HG SER 52 7.071 8.575 1.120 396 H ASP 53 HN ASP 53 2.886 7.538 0.690 397 HA ASP 53 HA ASP 53 2.193 9.372 2.752 398 1HB ASP 53 HB2 ASP 53 0.669 8.439 0.317 399 2HB ASP 53 HB3 ASP 53 0.140 9.746 1.371 400 H ALA 54 HN ALA 54 0.548 6.447 1.551 401 HA ALA 54 HA ALA 54 -1.404 6.471 3.626 402 1HB ALA 54 HB1 ALA 54 -1.735 5.494 1.359 403 2HB ALA 54 HB2 ALA 54 -0.675 4.167 1.834 404 3HB ALA 54 HB3 ALA 54 -2.196 4.429 2.687 405 H GLY 55 HN GLY 55 1.532 4.542 3.063 406 1HA GLY 55 HA1 GLY 55 1.364 2.663 5.035 407 2HA GLY 55 HA2 GLY 55 2.874 3.423 4.582 408 H GLN 56 HN GLN 56 1.782 6.078 5.529 409 HA GLN 56 HA GLN 56 2.993 6.389 7.920 410 1HB GLN 56 HB2 GLN 56 1.423 8.236 8.395 411 2HB GLN 56 HB3 GLN 56 1.996 8.262 6.731 412 1HG GLN 56 HG2 GLN 56 -0.102 7.257 6.001 413 2HG GLN 56 HG3 GLN 56 -0.657 7.198 7.671 414 1HE2 GLN 56 HE21 GLN 56 -1.013 8.836 4.909 415 2HE2 GLN 56 HE22 GLN 56 -1.424 10.399 5.521 416 H VAL 57 HN VAL 57 -0.241 5.123 7.419 417 HA VAL 57 HA VAL 57 -1.042 5.064 10.111 418 HB VAL 57 HB VAL 57 -2.811 3.539 9.356 419 1HG1 VAL 57 HG11 VAL 57 -2.158 6.125 8.169 420 2HG1 VAL 57 HG12 VAL 57 -3.280 5.173 7.191 421 3HG1 VAL 57 HG13 VAL 57 -3.673 5.548 8.869 422 1HG2 VAL 57 HG21 VAL 57 -0.929 3.116 7.158 423 2HG2 VAL 57 HG22 VAL 57 -2.234 2.088 7.747 424 3HG2 VAL 57 HG23 VAL 57 -2.587 3.402 6.628 425 H LEU 58 HN LEU 58 0.782 2.745 8.172 426 HA LEU 58 HA LEU 58 0.534 0.591 10.028 427 1HB LEU 58 HB2 LEU 58 2.862 0.927 8.153 428 2HB LEU 58 HB3 LEU 58 2.122 -0.558 8.725 429 HG LEU 58 HG LEU 58 0.902 1.381 6.755 430 1HD1 LEU 58 HD11 LEU 58 2.262 0.308 5.342 431 2HD1 LEU 58 HD12 LEU 58 2.587 -0.997 6.483 432 3HD1 LEU 58 HD13 LEU 58 1.120 -1.025 5.504 433 1HD2 LEU 58 HD21 LEU 58 -0.398 -1.143 6.796 434 2HD2 LEU 58 HD22 LEU 58 -0.343 -0.529 8.448 435 3HD2 LEU 58 HD23 LEU 58 -1.067 0.444 7.168 436 H THR 59 HN THR 59 1.411 0.490 11.993 437 HA THR 59 HA THR 59 3.320 2.403 12.900 438 HB THR 59 HB THR 59 3.297 1.158 15.021 439 HG1 THR 59 HG1 THR 59 3.064 -0.958 14.107 440 1HG2 THR 59 HG21 THR 59 1.151 2.490 13.819 441 2HG2 THR 59 HG22 THR 59 1.399 2.206 15.542 442 3HG2 THR 59 HG23 THR 59 0.447 1.068 14.588 443 H ALA 60 HN ALA 60 5.416 1.956 13.799 444 HA ALA 60 HA ALA 60 7.167 0.652 12.110 445 1HB ALA 60 HB1 ALA 60 7.318 1.777 14.822 446 2HB ALA 60 HB2 ALA 60 8.550 0.576 14.437 447 3HB ALA 60 HB3 ALA 60 8.376 2.014 13.431 448 H ASP 61 HN ASP 61 5.583 -0.581 15.019 449 HA ASP 61 HA ASP 61 6.932 -3.009 15.260 450 1HB ASP 61 HB2 ASP 61 4.040 -2.391 15.902 451 2HB ASP 61 HB3 ASP 61 4.934 -3.794 16.482 452 H ASP 62 HN ASP 62 4.663 -1.960 12.903 453 HA ASP 62 HA ASP 62 3.619 -4.465 12.106 454 1HB ASP 62 HB2 ASP 62 3.923 -1.929 10.491 455 2HB ASP 62 HB3 ASP 62 2.888 -3.289 10.085 456 H PHE 63 HN PHE 63 6.790 -3.602 11.986 457 HA PHE 63 HA PHE 63 7.820 -3.876 9.534 458 1HB PHE 63 HB2 PHE 63 8.723 -4.639 12.185 459 2HB PHE 63 HB3 PHE 63 9.396 -5.689 10.944 460 HD1 PHE 63 HD1 PHE 63 8.631 -2.045 11.077 461 HD2 PHE 63 HD2 PHE 63 11.554 -5.074 10.471 462 HE1 PHE 63 HE1 PHE 63 10.298 -0.322 10.535 463 HE2 PHE 63 HE2 PHE 63 13.229 -3.357 9.930 464 HZ PHE 63 HZ PHE 63 12.627 -0.995 9.972 465 HA PRO 64 HA PRO 64 7.393 -8.636 9.248 466 1HB PRO 64 HB2 PRO 64 6.122 -9.983 11.213 467 2HB PRO 64 HB3 PRO 64 7.848 -9.609 11.282 468 1HG PRO 64 HG2 PRO 64 5.553 -8.211 12.605 469 2HG PRO 64 HG3 PRO 64 7.139 -8.637 13.275 470 1HD PRO 64 HD2 PRO 64 6.526 -6.141 12.382 471 2HD PRO 64 HD3 PRO 64 8.167 -6.813 12.324 472 H PHE 65 HN PHE 65 5.885 -7.433 7.803 473 HA PHE 65 HA PHE 65 3.079 -7.447 8.381 474 1HB PHE 65 HB2 PHE 65 4.830 -6.424 6.318 475 2HB PHE 65 HB3 PHE 65 3.404 -7.179 5.613 476 HD1 PHE 65 HD1 PHE 65 4.623 -4.438 7.726 477 HD2 PHE 65 HD2 PHE 65 1.235 -6.251 5.929 478 HE1 PHE 65 HE1 PHE 65 3.290 -2.437 8.224 479 HE2 PHE 65 HE2 PHE 65 -0.108 -4.265 6.410 480 HZ PHE 65 HZ PHE 65 0.921 -2.345 7.566 481 H LYS 66 HN LYS 66 1.502 -8.788 7.630 482 HA LYS 66 HA LYS 66 2.201 -11.474 7.029 483 1HB LYS 66 HB2 LYS 66 0.161 -10.925 8.269 484 2HB LYS 66 HB3 LYS 66 -0.475 -10.074 6.873 485 1HG LYS 66 HG2 LYS 66 -1.567 -12.051 6.654 486 2HG LYS 66 HG3 LYS 66 -0.123 -12.405 5.706 487 1HD LYS 66 HD2 LYS 66 -0.585 -13.161 8.592 488 2HD LYS 66 HD3 LYS 66 -0.673 -14.251 7.210 489 1HE LYS 66 HE2 LYS 66 1.768 -12.787 8.201 490 2HE LYS 66 HE3 LYS 66 1.447 -14.512 8.342 491 1HZ LYS 66 HZ1 LYS 66 1.548 -14.727 5.964 492 2HZ LYS 66 HZ2 LYS 66 2.963 -13.978 6.510 493 3HZ LYS 66 HZ3 LYS 66 1.751 -13.059 5.771 494 H SER 67 HN SER 67 3.581 -10.682 5.184 495 HA SER 67 HA SER 67 4.050 -10.664 2.987 496 1HB SER 67 HB2 SER 67 1.337 -11.935 2.652 497 2HB SER 67 HB3 SER 67 2.673 -11.983 1.501 498 HG SER 67 HG SER 67 2.899 -12.974 4.139 499 H ALA 68 HN ALA 68 3.528 -9.761 0.887 500 HA ALA 68 HA ALA 68 2.750 -7.123 0.976 501 1HB ALA 68 HB1 ALA 68 3.963 -7.570 -0.893 502 2HB ALA 68 HB2 ALA 68 3.146 -9.104 -1.188 503 3HB ALA 68 HB3 ALA 68 2.346 -7.588 -1.601 504 H GLU 69 HN GLU 69 0.764 -9.954 0.475 505 HA GLU 69 HA GLU 69 -1.503 -8.731 -0.588 506 1HB GLU 69 HB2 GLU 69 -2.750 -10.663 0.345 507 2HB GLU 69 HB3 GLU 69 -1.314 -11.132 -0.554 508 1HG GLU 69 HG2 GLU 69 -0.120 -11.351 1.591 509 2HG GLU 69 HG3 GLU 69 -1.633 -11.000 2.420 510 H GLU 70 HN GLU 70 -0.615 -9.237 2.870 511 HA GLU 70 HA GLU 70 -3.022 -8.033 3.759 512 1HB GLU 70 HB2 GLU 70 -2.323 -8.395 5.908 513 2HB GLU 70 HB3 GLU 70 -1.391 -9.608 5.045 514 1HG GLU 70 HG2 GLU 70 0.478 -8.754 5.824 515 2HG GLU 70 HG3 GLU 70 0.105 -7.201 5.108 516 H VAL 71 HN VAL 71 0.149 -6.821 2.976 517 HA VAL 71 HA VAL 71 -0.120 -4.262 4.153 518 HB VAL 71 HB VAL 71 1.438 -4.992 1.679 519 1HG1 VAL 71 HG11 VAL 71 1.506 -2.703 1.641 520 2HG1 VAL 71 HG12 VAL 71 1.303 -2.559 3.386 521 3HG1 VAL 71 HG13 VAL 71 2.864 -3.031 2.716 522 1HG2 VAL 71 HG21 VAL 71 1.778 -6.146 4.060 523 2HG2 VAL 71 HG22 VAL 71 3.110 -5.774 2.978 524 3HG2 VAL 71 HG23 VAL 71 2.744 -4.692 4.312 525 H ALA 72 HN ALA 72 -0.904 -5.466 0.911 526 HA ALA 72 HA ALA 72 -1.703 -3.063 -0.245 527 1HB ALA 72 HB1 ALA 72 -1.934 -4.426 -1.980 528 2HB ALA 72 HB2 ALA 72 -1.795 -5.824 -0.914 529 3HB ALA 72 HB3 ALA 72 -3.378 -5.121 -1.244 530 H ASP 73 HN ASP 73 -3.683 -5.496 1.450 531 HA ASP 73 HA ASP 73 -6.093 -4.006 1.263 532 1HB ASP 73 HB2 ASP 73 -5.322 -6.205 3.193 533 2HB ASP 73 HB3 ASP 73 -6.957 -5.601 2.940 534 H THR 74 HN THR 74 -3.641 -4.324 3.781 535 HA THR 74 HA THR 74 -4.923 -2.904 5.813 536 HB THR 74 HB THR 74 -1.964 -3.147 5.238 537 HG1 THR 74 HG1 THR 74 -2.221 -5.092 6.013 538 1HG2 THR 74 HG21 THR 74 -2.473 -1.282 6.777 539 2HG2 THR 74 HG22 THR 74 -1.605 -2.596 7.571 540 3HG2 THR 74 HG23 THR 74 -3.340 -2.408 7.822 541 H ILE 75 HN ILE 75 -2.621 -1.721 3.359 542 HA ILE 75 HA ILE 75 -2.595 0.950 4.214 543 HB ILE 75 HB ILE 75 -2.085 -0.195 1.467 544 1HG1 ILE 75 HG12 ILE 75 -0.196 0.655 3.673 545 2HG1 ILE 75 HG13 ILE 75 -0.577 -1.006 3.241 546 1HG2 ILE 75 HG21 ILE 75 -2.319 2.538 2.308 547 2HG2 ILE 75 HG22 ILE 75 -0.667 2.201 1.792 548 3HG2 ILE 75 HG23 ILE 75 -2.014 1.886 0.699 549 1HD1 ILE 75 HD11 ILE 75 1.582 -0.248 2.352 550 2HD1 ILE 75 HD12 ILE 75 0.455 -0.725 1.084 551 3HD1 ILE 75 HD13 ILE 75 0.740 0.984 1.412 552 H VAL 76 HN VAL 76 -4.432 -0.520 1.522 553 HA VAL 76 HA VAL 76 -5.848 1.796 0.839 554 HB VAL 76 HB VAL 76 -7.507 0.211 -0.217 555 1HG1 VAL 76 HG11 VAL 76 -5.023 1.015 -1.011 556 2HG1 VAL 76 HG12 VAL 76 -4.918 -0.736 -1.204 557 3HG1 VAL 76 HG13 VAL 76 -6.188 0.168 -2.029 558 1HG2 VAL 76 HG21 VAL 76 -7.571 -1.839 0.675 559 2HG2 VAL 76 HG22 VAL 76 -6.130 -2.160 -0.291 560 3HG2 VAL 76 HG23 VAL 76 -5.971 -1.674 1.397 561 H ASN 77 HN ASN 77 -6.748 -0.856 3.028 562 HA ASN 77 HA ASN 77 -9.348 0.002 3.584 563 1HB ASN 77 HB2 ASN 77 -7.367 -1.640 5.146 564 2HB ASN 77 HB3 ASN 77 -8.968 -1.273 5.788 565 1HD2 ASN 77 HD21 ASN 77 -10.268 -2.927 5.552 566 2HD2 ASN 77 HD22 ASN 77 -10.366 -3.965 4.174 567 H LYS 78 HN LYS 78 -6.363 0.623 5.445 568 HA LYS 78 HA LYS 78 -7.667 2.360 7.286 569 1HB LYS 78 HB2 LYS 78 -4.725 2.070 6.680 570 2HB LYS 78 HB3 LYS 78 -5.417 2.842 8.101 571 1HG LYS 78 HG2 LYS 78 -6.448 0.665 8.714 572 2HG LYS 78 HG3 LYS 78 -5.587 -0.072 7.362 573 1HD LYS 78 HD2 LYS 78 -4.334 -0.456 9.375 574 2HD LYS 78 HD3 LYS 78 -3.453 0.702 8.376 575 1HE LYS 78 HE2 LYS 78 -4.385 2.538 9.730 576 2HE LYS 78 HE3 LYS 78 -5.203 1.353 10.746 577 1HZ LYS 78 HZ1 LYS 78 -3.068 0.464 11.396 578 2HZ LYS 78 HZ2 LYS 78 -3.121 2.121 11.725 579 3HZ LYS 78 HZ3 LYS 78 -2.261 1.554 10.384 580 H ALA 79 HN ALA 79 -5.683 2.876 4.405 581 HA ALA 79 HA ALA 79 -5.497 5.688 4.656 582 1HB ALA 79 HB1 ALA 79 -5.373 4.167 2.064 583 2HB ALA 79 HB2 ALA 79 -4.588 5.693 2.475 584 3HB ALA 79 HB3 ALA 79 -4.050 4.194 3.231 585 H GLY 80 HN GLY 80 -7.957 3.600 3.281 586 1HA GLY 80 HA1 GLY 80 -10.084 5.236 3.415 587 2HA GLY 80 HA2 GLY 80 -9.285 5.817 1.960 588 H LEU 81 HN LEU 81 -8.508 3.757 0.608 589 HA LEU 81 HA LEU 81 -10.898 2.661 -0.441 590 1HB LEU 81 HB2 LEU 81 -8.072 1.770 -0.996 591 2HB LEU 81 HB3 LEU 81 -9.474 1.572 -2.034 592 HG LEU 81 HG LEU 81 -8.420 4.289 -1.266 593 1HD1 LEU 81 HD11 LEU 81 -6.589 3.196 -2.351 594 2HD1 LEU 81 HD12 LEU 81 -7.647 2.537 -3.599 595 3HD1 LEU 81 HD13 LEU 81 -7.345 4.273 -3.526 596 1HD2 LEU 81 HD21 LEU 81 -10.194 3.288 -3.493 597 2HD2 LEU 81 HD22 LEU 81 -10.681 4.268 -2.110 598 3HD2 LEU 81 HD23 LEU 81 -9.606 4.944 -3.334 Start of MODEL 11 1 1H GLY -3 HT1 GLY -3 -22.069 12.405 -6.335 2 2H GLY -3 HT2 GLY -3 -20.849 11.377 -6.897 3 3H GLY -3 HT3 GLY -3 -21.890 10.861 -5.667 4 1HA GLY -3 HA2 GLY -3 -23.645 11.485 -7.598 5 2HA GLY -3 HA1 GLY -3 -22.279 10.894 -8.531 6 H SER -2 HN SER -2 -22.927 8.926 -9.182 7 HA SER -2 HA SER -2 -24.304 7.141 -7.358 8 1HB SER -2 HB2 SER -2 -23.440 6.749 -10.233 9 2HB SER -2 HB3 SER -2 -24.440 5.628 -9.309 10 HG SER -2 HG SER -2 -25.069 8.151 -10.342 11 H HIS -1 HN HIS -1 -21.765 7.708 -6.405 12 HA HIS -1 HA HIS -1 -20.070 5.444 -7.121 13 1HB HIS -1 HB2 HIS -1 -19.577 7.741 -5.214 14 2HB HIS -1 HB3 HIS -1 -18.397 6.515 -5.662 15 HD1 HIS -1 HD1 HIS -1 -20.630 8.909 -7.621 16 HD2 HIS -1 HD2 HIS -1 -16.723 7.499 -7.526 17 HE1 HIS -1 HE1 HIS -1 -19.444 10.090 -9.497 18 HE2 HIS -1 HE2 HIS -1 -17.102 9.161 -9.472 19 H MET 1 HN MET 1 -19.951 3.629 -5.950 20 HA MET 1 HA MET 1 -21.341 3.575 -3.362 21 1HB MET 1 HB2 MET 1 -20.640 1.339 -5.269 22 2HB MET 1 HB3 MET 1 -21.353 1.089 -3.684 23 1HG MET 1 HG2 MET 1 -23.084 0.961 -5.307 24 2HG MET 1 HG3 MET 1 -23.294 2.458 -4.402 25 1HE MET 1 HE1 MET 1 -24.651 1.987 -7.632 26 2HE MET 1 HE2 MET 1 -24.991 2.879 -6.149 27 3HE MET 1 HE3 MET 1 -24.648 3.750 -7.644 28 H LYS 2 HN LYS 2 -18.524 2.044 -4.922 29 HA LYS 2 HA LYS 2 -16.622 2.807 -3.054 30 1HB LYS 2 HB2 LYS 2 -17.906 1.484 -1.432 31 2HB LYS 2 HB3 LYS 2 -17.772 0.069 -2.469 32 1HG LYS 2 HG2 LYS 2 -16.188 -0.063 -0.647 33 2HG LYS 2 HG3 LYS 2 -15.336 0.106 -2.184 34 1HD LYS 2 HD2 LYS 2 -15.066 2.510 -1.753 35 2HD LYS 2 HD3 LYS 2 -15.887 2.316 -0.204 36 1HE LYS 2 HE2 LYS 2 -14.114 0.732 0.488 37 2HE LYS 2 HE3 LYS 2 -13.277 1.046 -1.033 38 1HZ LYS 2 HZ1 LYS 2 -12.928 3.293 -0.418 39 2HZ LYS 2 HZ2 LYS 2 -12.464 2.354 0.911 40 3HZ LYS 2 HZ3 LYS 2 -13.946 3.169 0.927 41 H MET 3 HN MET 3 -17.720 0.072 -5.015 42 HA MET 3 HA MET 3 -15.252 -1.038 -5.645 43 1HB MET 3 HB2 MET 3 -17.383 -2.122 -6.170 44 2HB MET 3 HB3 MET 3 -17.732 -0.882 -7.366 45 1HG MET 3 HG2 MET 3 -15.812 -1.602 -8.684 46 2HG MET 3 HG3 MET 3 -15.448 -2.839 -7.481 47 1HE MET 3 HE1 MET 3 -16.514 -5.235 -10.080 48 2HE MET 3 HE2 MET 3 -16.247 -3.688 -10.885 49 3HE MET 3 HE3 MET 3 -15.218 -4.170 -9.535 50 H GLY 4 HN GLY 4 -13.631 -0.523 -6.981 51 1HA GLY 4 HA1 GLY 4 -13.784 0.959 -9.334 52 2HA GLY 4 HA2 GLY 4 -13.429 2.094 -8.040 53 H VAL 5 HN VAL 5 -11.346 2.612 -8.298 54 HA VAL 5 HA VAL 5 -9.394 0.781 -9.251 55 HB VAL 5 HB VAL 5 -9.347 3.351 -9.371 56 1HG1 VAL 5 HG11 VAL 5 -9.449 3.549 -6.838 57 2HG1 VAL 5 HG12 VAL 5 -7.755 3.036 -6.844 58 3HG1 VAL 5 HG13 VAL 5 -8.233 4.536 -7.651 59 1HG2 VAL 5 HG21 VAL 5 -7.617 2.132 -10.394 60 2HG2 VAL 5 HG22 VAL 5 -6.855 3.378 -9.410 61 3HG2 VAL 5 HG23 VAL 5 -6.906 1.715 -8.833 62 H LYS 6 HN LYS 6 -10.843 0.965 -6.234 63 HA LYS 6 HA LYS 6 -8.857 0.830 -4.369 64 1HB LYS 6 HB2 LYS 6 -11.191 0.615 -3.752 65 2HB LYS 6 HB3 LYS 6 -11.316 -0.921 -4.596 66 1HG LYS 6 HG2 LYS 6 -9.821 -1.950 -2.982 67 2HG LYS 6 HG3 LYS 6 -9.629 -0.403 -2.156 68 1HD LYS 6 HD2 LYS 6 -11.994 -0.369 -1.611 69 2HD LYS 6 HD3 LYS 6 -12.245 -1.867 -2.509 70 1HE LYS 6 HE2 LYS 6 -10.812 -3.062 -0.959 71 2HE LYS 6 HE3 LYS 6 -10.477 -1.568 -0.084 72 1HZ LYS 6 HZ1 LYS 6 -12.146 -2.810 1.074 73 2HZ LYS 6 HZ2 LYS 6 -13.100 -2.939 -0.316 74 3HZ LYS 6 HZ3 LYS 6 -12.873 -1.431 0.416 75 H GLU 7 HN GLU 7 -9.973 -1.796 -6.462 76 HA GLU 7 HA GLU 7 -7.875 -3.578 -5.610 77 1HB GLU 7 HB2 GLU 7 -10.036 -4.479 -6.330 78 2HB GLU 7 HB3 GLU 7 -9.818 -3.770 -7.925 79 1HG GLU 7 HG2 GLU 7 -7.880 -5.208 -8.301 80 2HG GLU 7 HG3 GLU 7 -8.099 -5.918 -6.701 81 H ASP 8 HN ASP 8 -8.428 -1.323 -8.263 82 HA ASP 8 HA ASP 8 -6.384 -2.192 -9.962 83 1HB ASP 8 HB2 ASP 8 -7.869 0.341 -9.689 84 2HB ASP 8 HB3 ASP 8 -6.515 0.247 -10.805 85 H ILE 9 HN ILE 9 -6.313 0.460 -7.601 86 HA ILE 9 HA ILE 9 -3.593 1.099 -7.954 87 HB ILE 9 HB ILE 9 -5.570 1.641 -5.746 88 1HG1 ILE 9 HG12 ILE 9 -4.072 3.438 -7.660 89 2HG1 ILE 9 HG13 ILE 9 -5.751 2.942 -7.812 90 1HG2 ILE 9 HG21 ILE 9 -3.837 1.733 -4.314 91 2HG2 ILE 9 HG22 ILE 9 -2.639 1.826 -5.604 92 3HG2 ILE 9 HG23 ILE 9 -3.506 3.277 -5.098 93 1HD1 ILE 9 HD11 ILE 9 -4.531 4.761 -5.769 94 2HD1 ILE 9 HD12 ILE 9 -5.798 5.117 -6.943 95 3HD1 ILE 9 HD13 ILE 9 -6.137 4.057 -5.576 96 H ARG 10 HN ARG 10 -5.340 -0.957 -5.634 97 HA ARG 10 HA ARG 10 -3.121 -1.810 -4.137 98 1HB ARG 10 HB2 ARG 10 -5.656 -2.285 -3.742 99 2HB ARG 10 HB3 ARG 10 -5.424 -3.630 -4.845 100 1HG ARG 10 HG2 ARG 10 -3.620 -4.475 -3.362 101 2HG ARG 10 HG3 ARG 10 -4.034 -3.200 -2.214 102 1HD ARG 10 HD2 ARG 10 -5.882 -5.376 -3.185 103 2HD ARG 10 HD3 ARG 10 -5.082 -5.324 -1.615 104 HE ARG 10 HE ARG 10 -6.603 -2.978 -2.013 105 1HH1 ARG 10 HH12 ARG 10 -6.966 -6.383 -1.342 106 2HH1 ARG 10 HH11 ARG 10 -8.458 -6.184 -0.487 107 1HH2 ARG 10 HH22 ARG 10 -8.565 -2.714 -0.885 108 2HH2 ARG 10 HH21 ARG 10 -9.363 -4.102 -0.224 109 H GLY 11 HN GLY 11 -4.271 -2.614 -7.313 110 1HA GLY 11 HA1 GLY 11 -2.836 -5.049 -7.662 111 2HA GLY 11 HA2 GLY 11 -3.399 -3.988 -8.954 112 H GLN 12 HN GLN 12 -2.127 -1.666 -8.212 113 HA GLN 12 HA GLN 12 0.474 -2.060 -9.300 114 1HB GLN 12 HB2 GLN 12 -0.680 0.390 -7.951 115 2HB GLN 12 HB3 GLN 12 0.730 0.345 -8.994 116 1HG GLN 12 HG2 GLN 12 -0.702 -0.359 -10.864 117 2HG GLN 12 HG3 GLN 12 -2.105 -0.227 -9.805 118 1HE2 GLN 12 HE21 GLN 12 -3.203 1.563 -10.081 119 2HE2 GLN 12 HE22 GLN 12 -2.560 3.101 -10.531 120 H ILE 13 HN ILE 13 -0.868 -1.707 -6.093 121 HA ILE 13 HA ILE 13 1.579 -1.163 -4.748 122 HB ILE 13 HB ILE 13 -1.018 -2.253 -3.665 123 1HG1 ILE 13 HG12 ILE 13 0.115 0.554 -3.691 124 2HG1 ILE 13 HG13 ILE 13 -1.228 -0.023 -4.673 125 1HG2 ILE 13 HG21 ILE 13 1.351 -1.101 -2.198 126 2HG2 ILE 13 HG22 ILE 13 -0.190 -1.550 -1.470 127 3HG2 ILE 13 HG23 ILE 13 0.840 -2.789 -2.186 128 1HD1 ILE 13 HD11 ILE 13 -1.242 1.018 -2.013 129 2HD1 ILE 13 HD12 ILE 13 -2.599 0.614 -3.064 130 3HD1 ILE 13 HD13 ILE 13 -1.896 -0.619 -2.020 131 H ILE 14 HN ILE 14 -0.363 -4.123 -5.145 132 HA ILE 14 HA ILE 14 1.276 -5.826 -3.666 133 HB ILE 14 HB ILE 14 -0.653 -6.271 -5.912 134 1HG1 ILE 14 HG12 ILE 14 -1.542 -5.841 -3.680 135 2HG1 ILE 14 HG13 ILE 14 -1.878 -7.505 -4.150 136 1HG2 ILE 14 HG21 ILE 14 -0.273 -8.804 -5.180 137 2HG2 ILE 14 HG22 ILE 14 0.626 -8.063 -6.504 138 3HG2 ILE 14 HG23 ILE 14 1.365 -8.205 -4.908 139 1HD1 ILE 14 HD11 ILE 14 -1.206 -7.689 -1.953 140 2HD1 ILE 14 HD12 ILE 14 0.263 -8.073 -2.849 141 3HD1 ILE 14 HD13 ILE 14 0.060 -6.477 -2.127 142 H GLY 15 HN GLY 15 1.305 -5.206 -7.186 143 1HA GLY 15 HA1 GLY 15 3.589 -6.800 -7.709 144 2HA GLY 15 HA2 GLY 15 2.975 -5.513 -8.744 145 H ALA 16 HN ALA 16 3.130 -3.454 -6.807 146 HA ALA 16 HA ALA 16 5.758 -2.527 -7.208 147 1HB ALA 16 HB1 ALA 16 4.972 -0.819 -5.397 148 2HB ALA 16 HB2 ALA 16 4.205 -0.834 -6.985 149 3HB ALA 16 HB3 ALA 16 3.402 -1.601 -5.609 150 H LEU 17 HN LEU 17 4.263 -4.329 -4.646 151 HA LEU 17 HA LEU 17 6.335 -3.860 -2.711 152 1HB LEU 17 HB2 LEU 17 3.952 -5.699 -2.821 153 2HB LEU 17 HB3 LEU 17 5.087 -5.708 -1.488 154 HG LEU 17 HG LEU 17 3.597 -3.223 -2.315 155 1HD1 LEU 17 HD11 LEU 17 2.716 -5.504 -0.622 156 2HD1 LEU 17 HD12 LEU 17 2.276 -3.869 -0.137 157 3HD1 LEU 17 HD13 LEU 17 1.786 -4.484 -1.716 158 1HD2 LEU 17 HD21 LEU 17 4.571 -2.222 -0.565 159 2HD2 LEU 17 HD22 LEU 17 4.407 -3.639 0.472 160 3HD2 LEU 17 HD23 LEU 17 5.745 -3.532 -0.673 161 H ALA 18 HN ALA 18 5.562 -6.191 -5.152 162 HA ALA 18 HA ALA 18 7.098 -8.371 -4.324 163 1HB ALA 18 HB1 ALA 18 5.881 -8.981 -6.129 164 2HB ALA 18 HB2 ALA 18 6.036 -7.405 -6.904 165 3HB ALA 18 HB3 ALA 18 7.362 -8.563 -6.988 166 H GLY 19 HN GLY 19 9.233 -8.833 -4.299 167 1HA GLY 19 HA1 GLY 19 11.424 -8.597 -5.366 168 2HA GLY 19 HA2 GLY 19 11.056 -6.894 -5.587 169 H ALA 20 HN ALA 20 9.943 -6.560 -2.919 170 HA ALA 20 HA ALA 20 12.137 -5.641 -1.518 171 1HB ALA 20 HB1 ALA 20 9.781 -6.669 -0.009 172 2HB ALA 20 HB2 ALA 20 10.694 -5.176 0.208 173 3HB ALA 20 HB3 ALA 20 9.571 -5.334 -1.142 174 H ASP 21 HN ASP 21 12.373 -6.470 0.929 175 HA ASP 21 HA ASP 21 13.945 -8.801 0.842 176 1HB ASP 21 HB2 ASP 21 12.792 -7.074 3.023 177 2HB ASP 21 HB3 ASP 21 13.634 -8.573 3.439 178 H PHE 22 HN PHE 22 12.115 -9.443 3.576 179 HA PHE 22 HA PHE 22 11.004 -11.785 2.468 180 1HB PHE 22 HB2 PHE 22 9.957 -12.170 4.569 181 2HB PHE 22 HB3 PHE 22 11.425 -11.307 4.969 182 HD1 PHE 22 HD1 PHE 22 10.941 -10.260 6.978 183 HD2 PHE 22 HD2 PHE 22 8.170 -9.914 3.788 184 HE1 PHE 22 HE1 PHE 22 9.647 -8.598 8.251 185 HE2 PHE 22 HE2 PHE 22 6.889 -8.250 5.018 186 HZ PHE 22 HZ PHE 22 7.622 -7.602 7.272 187 HA PRO 23 HA PRO 23 7.279 -10.286 0.705 188 1HB PRO 23 HB2 PRO 23 5.099 -11.199 2.027 189 2HB PRO 23 HB3 PRO 23 6.091 -12.219 0.988 190 1HG PRO 23 HG2 PRO 23 6.093 -11.976 3.966 191 2HG PRO 23 HG3 PRO 23 6.226 -13.429 2.957 192 1HD PRO 23 HD2 PRO 23 8.364 -12.232 4.125 193 2HD PRO 23 HD3 PRO 23 8.481 -13.120 2.594 194 H ILE 24 HN ILE 24 8.307 -8.227 1.949 195 HA ILE 24 HA ILE 24 7.350 -6.071 2.180 196 HB ILE 24 HB ILE 24 5.302 -7.424 3.908 197 1HG1 ILE 24 HG12 ILE 24 5.042 -7.850 1.515 198 2HG1 ILE 24 HG13 ILE 24 3.781 -6.749 2.068 199 1HG2 ILE 24 HG21 ILE 24 4.833 -5.443 4.793 200 2HG2 ILE 24 HG22 ILE 24 6.159 -4.717 3.896 201 3HG2 ILE 24 HG23 ILE 24 4.550 -4.793 3.183 202 1HD1 ILE 24 HD11 ILE 24 4.392 -5.578 0.272 203 2HD1 ILE 24 HD12 ILE 24 5.689 -5.001 1.317 204 3HD1 ILE 24 HD13 ILE 24 5.985 -6.324 0.189 205 H ASN 25 HN ASN 25 9.618 -6.302 3.238 206 HA ASN 25 HA ASN 25 9.864 -6.424 6.072 207 1HB ASN 25 HB2 ASN 25 11.562 -5.454 3.824 208 2HB ASN 25 HB3 ASN 25 11.970 -4.908 5.449 209 1HD2 ASN 25 HD21 ASN 25 10.523 -7.998 5.065 210 2HD2 ASN 25 HD22 ASN 25 11.942 -8.932 5.376 211 H SER 26 HN SER 26 7.808 -4.940 6.309 212 HA SER 26 HA SER 26 6.932 -2.953 7.006 213 1HB SER 26 HB2 SER 26 8.293 -1.548 8.340 214 2HB SER 26 HB3 SER 26 9.012 -3.144 8.517 215 HG SER 26 HG SER 26 10.223 -2.097 6.468 216 HA PRO 27 HA PRO 27 6.747 -0.276 3.588 217 1HB PRO 27 HB2 PRO 27 7.050 2.062 5.409 218 2HB PRO 27 HB3 PRO 27 5.805 1.741 4.196 219 1HG PRO 27 HG2 PRO 27 5.305 1.428 6.808 220 2HG PRO 27 HG3 PRO 27 4.614 0.334 5.597 221 1HD PRO 27 HD2 PRO 27 6.856 -0.124 7.501 222 2HD PRO 27 HD3 PRO 27 5.659 -1.270 6.863 223 H GLU 28 HN GLU 28 9.276 0.508 5.922 224 HA GLU 28 HA GLU 28 10.835 2.158 4.341 225 1HB GLU 28 HB2 GLU 28 11.822 0.020 6.239 226 2HB GLU 28 HB3 GLU 28 12.743 1.409 5.678 227 1HG GLU 28 HG2 GLU 28 11.171 2.906 6.792 228 2HG GLU 28 HG3 GLU 28 10.242 1.515 7.352 229 H GLU 29 HN GLU 29 11.087 -1.402 4.618 230 HA GLU 29 HA GLU 29 12.949 -1.612 2.472 231 1HB GLU 29 HB2 GLU 29 12.694 -3.149 4.426 232 2HB GLU 29 HB3 GLU 29 11.208 -3.721 3.645 233 1HG GLU 29 HG2 GLU 29 13.150 -5.180 3.191 234 2HG GLU 29 HG3 GLU 29 12.467 -4.470 1.728 235 H LEU 30 HN LEU 30 9.584 -2.835 2.796 236 HA LEU 30 HA LEU 30 9.269 -3.771 0.236 237 1HB LEU 30 HB2 LEU 30 6.911 -3.594 0.567 238 2HB LEU 30 HB3 LEU 30 7.633 -3.977 2.116 239 HG LEU 30 HG LEU 30 7.560 -1.406 2.497 240 1HD1 LEU 30 HD11 LEU 30 6.516 -0.130 1.021 241 2HD1 LEU 30 HD12 LEU 30 6.401 -1.527 -0.048 242 3HD1 LEU 30 HD13 LEU 30 5.087 -1.165 1.072 243 1HD2 LEU 30 HD21 LEU 30 5.222 -1.612 3.348 244 2HD2 LEU 30 HD22 LEU 30 5.146 -3.193 2.575 245 3HD2 LEU 30 HD23 LEU 30 6.310 -2.898 3.867 246 H MET 31 HN MET 31 8.871 -0.468 1.428 247 HA MET 31 HA MET 31 8.042 0.652 -1.041 248 1HB MET 31 HB2 MET 31 7.892 1.715 1.293 249 2HB MET 31 HB3 MET 31 9.585 2.140 1.070 250 1HG MET 31 HG2 MET 31 8.872 3.289 -1.061 251 2HG MET 31 HG3 MET 31 7.213 3.070 -0.508 252 1HE MET 31 HE1 MET 31 6.447 4.074 2.076 253 2HE MET 31 HE2 MET 31 7.872 3.185 2.613 254 3HE MET 31 HE3 MET 31 7.657 4.873 3.078 255 H ALA 32 HN ALA 32 11.129 -0.141 0.458 256 HA ALA 32 HA ALA 32 12.757 1.326 -1.378 257 1HB ALA 32 HB1 ALA 32 13.571 -1.157 0.116 258 2HB ALA 32 HB2 ALA 32 14.597 0.167 -0.435 259 3HB ALA 32 HB3 ALA 32 13.452 0.427 0.881 260 H ALA 33 HN ALA 33 11.230 -1.795 -1.411 261 HA ALA 33 HA ALA 33 12.710 -2.985 -3.500 262 1HB ALA 33 HB1 ALA 33 11.240 -4.729 -3.325 263 2HB ALA 33 HB2 ALA 33 11.054 -3.974 -1.740 264 3HB ALA 33 HB3 ALA 33 9.860 -3.679 -3.005 265 H LEU 34 HN LEU 34 9.727 -1.100 -3.443 266 HA LEU 34 HA LEU 34 8.479 -1.350 -5.706 267 1HB LEU 34 HB2 LEU 34 9.427 1.177 -4.448 268 2HB LEU 34 HB3 LEU 34 8.578 1.258 -5.980 269 HG LEU 34 HG LEU 34 6.621 0.212 -5.020 270 1HD1 LEU 34 HD11 LEU 34 8.377 -0.138 -2.622 271 2HD1 LEU 34 HD12 LEU 34 6.620 -0.165 -2.501 272 3HD1 LEU 34 HD13 LEU 34 7.456 -1.356 -3.497 273 1HD2 LEU 34 HD21 LEU 34 7.775 2.525 -3.512 274 2HD2 LEU 34 HD22 LEU 34 6.502 2.518 -4.731 275 3HD2 LEU 34 HD23 LEU 34 6.183 1.883 -3.119 276 HA PRO 35 HA PRO 35 11.075 -1.708 -9.223 277 1HB PRO 35 HB2 PRO 35 9.259 -0.627 -11.053 278 2HB PRO 35 HB3 PRO 35 9.367 -2.319 -10.561 279 1HG PRO 35 HG2 PRO 35 7.544 -0.168 -9.571 280 2HG PRO 35 HG3 PRO 35 7.206 -1.885 -9.859 281 1HD PRO 35 HD2 PRO 35 7.556 -0.962 -7.389 282 2HD PRO 35 HD3 PRO 35 8.214 -2.542 -7.868 283 H ASN 36 HN ASN 36 9.466 1.428 -8.714 284 HA ASN 36 HA ASN 36 11.068 2.819 -10.615 285 1HB ASN 36 HB2 ASN 36 10.109 4.832 -9.640 286 2HB ASN 36 HB3 ASN 36 8.854 3.602 -9.800 287 1HD2 ASN 36 HD21 ASN 36 10.040 5.869 -7.774 288 2HD2 ASN 36 HD22 ASN 36 9.557 5.218 -6.273 289 H GLY 37 HN GLY 37 11.480 2.042 -7.230 290 1HA GLY 37 HA1 GLY 37 13.656 2.024 -6.234 291 2HA GLY 37 HA2 GLY 37 14.129 3.315 -7.325 292 HA PRO 38 HA PRO 38 13.069 6.224 -4.145 293 1HB PRO 38 HB2 PRO 38 12.184 8.389 -5.422 294 2HB PRO 38 HB3 PRO 38 13.831 7.793 -5.666 295 1HG PRO 38 HG2 PRO 38 11.417 7.460 -7.399 296 2HG PRO 38 HG3 PRO 38 13.092 7.810 -7.866 297 1HD PRO 38 HD2 PRO 38 11.924 5.306 -7.937 298 2HD PRO 38 HD3 PRO 38 13.670 5.596 -7.857 299 H ASP 39 HN ASP 39 10.951 4.335 -4.396 300 HA ASP 39 HA ASP 39 8.843 3.986 -3.697 301 1HB ASP 39 HB2 ASP 39 8.640 6.823 -2.755 302 2HB ASP 39 HB3 ASP 39 7.994 5.362 -2.013 303 H THR 40 HN THR 40 7.815 3.686 -5.629 304 HA THR 40 HA THR 40 6.882 5.863 -7.245 305 HB THR 40 HB THR 40 7.349 3.802 -8.386 306 HG1 THR 40 HG1 THR 40 4.519 4.041 -8.296 307 1HG2 THR 40 HG21 THR 40 5.941 1.771 -7.961 308 2HG2 THR 40 HG22 THR 40 5.334 2.569 -6.511 309 3HG2 THR 40 HG23 THR 40 7.047 2.176 -6.651 310 H THR 41 HN THR 41 4.893 6.784 -7.348 311 HA THR 41 HA THR 41 3.027 6.124 -5.190 312 HB THR 41 HB THR 41 2.926 8.476 -7.091 313 HG1 THR 41 HG1 THR 41 3.741 9.590 -5.136 314 1HG2 THR 41 HG21 THR 41 0.780 8.095 -6.110 315 2HG2 THR 41 HG22 THR 41 1.514 9.442 -5.240 316 3HG2 THR 41 HG23 THR 41 1.488 7.834 -4.516 317 H CYS 42 HN CYS 42 1.346 4.827 -5.629 318 HA CYS 42 HA CYS 42 0.546 4.385 -8.394 319 1HB CYS 42 HB2 CYS 42 -0.491 3.103 -5.853 320 2HB CYS 42 HB3 CYS 42 -0.859 2.586 -7.497 321 HG CYS 42 HG CYS 42 1.766 1.806 -8.076 322 H LYS 43 HN LYS 43 0.046 6.952 -7.601 323 HA LYS 43 HA LYS 43 -2.610 7.301 -6.621 324 1HB LYS 43 HB2 LYS 43 -2.241 9.685 -7.299 325 2HB LYS 43 HB3 LYS 43 -1.037 9.043 -6.189 326 1HG LYS 43 HG2 LYS 43 0.544 8.774 -7.985 327 2HG LYS 43 HG3 LYS 43 -0.672 9.246 -9.173 328 1HD LYS 43 HD2 LYS 43 0.289 11.028 -6.937 329 2HD LYS 43 HD3 LYS 43 0.955 11.048 -8.571 330 1HE LYS 43 HE2 LYS 43 -1.237 11.627 -9.468 331 2HE LYS 43 HE3 LYS 43 -1.927 11.572 -7.847 332 1HZ LYS 43 HZ1 LYS 43 0.058 13.298 -7.475 333 2HZ LYS 43 HZ2 LYS 43 -1.503 13.767 -7.926 334 3HZ LYS 43 HZ3 LYS 43 -0.293 13.620 -9.098 335 H SER 44 HN SER 44 -4.465 7.484 -7.674 336 HA SER 44 HA SER 44 -4.402 7.480 -10.620 337 1HB SER 44 HB2 SER 44 -6.542 6.406 -8.758 338 2HB SER 44 HB3 SER 44 -6.623 6.395 -10.519 339 HG SER 44 HG SER 44 -4.988 4.925 -10.588 340 H GLY 45 HN GLY 45 -4.894 9.433 -11.418 341 1HA GLY 45 HA1 GLY 45 -5.923 11.474 -11.683 342 2HA GLY 45 HA2 GLY 45 -7.275 10.805 -10.779 343 H ASP 46 HN ASP 46 -7.772 12.198 -9.205 344 HA ASP 46 HA ASP 46 -5.858 13.935 -7.995 345 1HB ASP 46 HB2 ASP 46 -8.218 14.574 -8.239 346 2HB ASP 46 HB3 ASP 46 -8.688 13.271 -7.153 347 H VAL 47 HN VAL 47 -7.387 10.907 -7.083 348 HA VAL 47 HA VAL 47 -6.519 10.834 -4.396 349 HB VAL 47 HB VAL 47 -7.179 8.512 -6.213 350 1HG1 VAL 47 HG11 VAL 47 -6.394 8.681 -3.423 351 2HG1 VAL 47 HG12 VAL 47 -7.949 7.879 -3.639 352 3HG1 VAL 47 HG13 VAL 47 -6.522 7.276 -4.481 353 1HG2 VAL 47 HG21 VAL 47 -9.434 8.665 -5.236 354 2HG2 VAL 47 HG22 VAL 47 -8.953 10.139 -4.396 355 3HG2 VAL 47 HG23 VAL 47 -9.003 10.105 -6.159 356 H GLU 48 HN GLU 48 -4.789 9.801 -3.414 357 HA GLU 48 HA GLU 48 -2.705 8.642 -5.108 358 1HB GLU 48 HB2 GLU 48 -2.096 10.749 -3.029 359 2HB GLU 48 HB3 GLU 48 -0.964 9.992 -4.141 360 1HG GLU 48 HG2 GLU 48 -2.070 11.070 -6.018 361 2HG GLU 48 HG3 GLU 48 -3.232 11.810 -4.921 362 H LEU 49 HN LEU 49 -1.905 6.829 -4.222 363 HA LEU 49 HA LEU 49 -1.914 6.515 -1.311 364 1HB LEU 49 HB2 LEU 49 -3.176 4.596 -3.264 365 2HB LEU 49 HB3 LEU 49 -2.728 4.138 -1.634 366 HG LEU 49 HG LEU 49 -5.071 4.591 -1.670 367 1HD1 LEU 49 HD11 LEU 49 -3.865 5.308 0.318 368 2HD1 LEU 49 HD12 LEU 49 -3.617 6.902 -0.395 369 3HD1 LEU 49 HD13 LEU 49 -5.247 6.355 -0.003 370 1HD2 LEU 49 HD21 LEU 49 -4.476 6.432 -3.641 371 2HD2 LEU 49 HD22 LEU 49 -6.056 6.152 -2.911 372 3HD2 LEU 49 HD23 LEU 49 -5.008 7.425 -2.286 373 H LYS 50 HN LYS 50 -0.125 5.568 -0.555 374 HA LYS 50 HA LYS 50 1.374 3.618 -1.947 375 1HB LYS 50 HB2 LYS 50 3.414 4.965 -2.308 376 2HB LYS 50 HB3 LYS 50 2.071 5.494 -3.313 377 1HG LYS 50 HG2 LYS 50 1.639 7.345 -1.808 378 2HG LYS 50 HG3 LYS 50 2.927 6.792 -0.738 379 1HD LYS 50 HD2 LYS 50 3.264 7.705 -3.586 380 2HD LYS 50 HD3 LYS 50 3.690 8.631 -2.144 381 1HE LYS 50 HE2 LYS 50 5.267 6.845 -1.512 382 2HE LYS 50 HE3 LYS 50 4.881 6.002 -3.009 383 1HZ LYS 50 HZ1 LYS 50 6.823 7.181 -3.469 384 2HZ LYS 50 HZ2 LYS 50 6.296 8.575 -2.670 385 3HZ LYS 50 HZ3 LYS 50 5.605 8.138 -4.150 386 H ALA 51 HN ALA 51 3.286 2.954 -0.754 387 HA ALA 51 HA ALA 51 2.895 2.613 1.927 388 1HB ALA 51 HB1 ALA 51 5.487 2.657 0.396 389 2HB ALA 51 HB2 ALA 51 5.332 2.081 2.056 390 3HB ALA 51 HB3 ALA 51 4.470 1.262 0.754 391 H SER 52 HN SER 52 4.363 5.379 0.355 392 HA SER 52 HA SER 52 5.563 6.449 2.708 393 1HB SER 52 HB2 SER 52 6.355 7.063 0.475 394 2HB SER 52 HB3 SER 52 4.805 7.827 0.124 395 HG SER 52 HG SER 52 5.233 9.281 1.847 396 H ASP 53 HN ASP 53 2.719 7.583 0.860 397 HA ASP 53 HA ASP 53 1.902 9.379 2.906 398 1HB ASP 53 HB2 ASP 53 0.391 8.323 0.511 399 2HB ASP 53 HB3 ASP 53 -0.133 9.663 1.526 400 H ALA 54 HN ALA 54 0.460 6.332 1.734 401 HA ALA 54 HA ALA 54 -1.478 6.255 3.830 402 1HB ALA 54 HB1 ALA 54 -2.189 5.191 1.905 403 2HB ALA 54 HB2 ALA 54 -0.651 4.361 1.672 404 3HB ALA 54 HB3 ALA 54 -1.748 3.842 2.952 405 H GLY 55 HN GLY 55 1.565 4.525 3.224 406 1HA GLY 55 HA1 GLY 55 1.564 2.637 5.192 407 2HA GLY 55 HA2 GLY 55 3.008 3.512 4.724 408 H GLN 56 HN GLN 56 1.791 6.078 5.686 409 HA GLN 56 HA GLN 56 2.979 6.415 8.096 410 1HB GLN 56 HB2 GLN 56 1.354 8.227 8.540 411 2HB GLN 56 HB3 GLN 56 1.970 8.267 6.892 412 1HG GLN 56 HG2 GLN 56 -0.099 7.128 6.152 413 2HG GLN 56 HG3 GLN 56 -0.700 7.222 7.804 414 1HE2 GLN 56 HE21 GLN 56 -2.088 8.794 8.091 415 2HE2 GLN 56 HE22 GLN 56 -2.070 10.335 7.310 416 H VAL 57 HN VAL 57 -0.245 5.132 7.543 417 HA VAL 57 HA VAL 57 -1.051 5.014 10.233 418 HB VAL 57 HB VAL 57 -2.799 3.450 9.427 419 1HG1 VAL 57 HG11 VAL 57 -2.222 6.126 8.366 420 2HG1 VAL 57 HG12 VAL 57 -3.406 5.208 7.431 421 3HG1 VAL 57 HG13 VAL 57 -3.677 5.503 9.149 422 1HG2 VAL 57 HG21 VAL 57 -2.626 2.311 7.515 423 2HG2 VAL 57 HG22 VAL 57 -2.217 3.766 6.607 424 3HG2 VAL 57 HG23 VAL 57 -0.952 2.857 7.432 425 H LEU 58 HN LEU 58 0.854 2.808 8.276 426 HA LEU 58 HA LEU 58 0.587 0.571 10.031 427 1HB LEU 58 HB2 LEU 58 2.951 1.021 8.226 428 2HB LEU 58 HB3 LEU 58 2.219 -0.496 8.719 429 HG LEU 58 HG LEU 58 1.052 1.506 6.785 430 1HD1 LEU 58 HD11 LEU 58 1.242 -0.909 5.519 431 2HD1 LEU 58 HD12 LEU 58 2.388 0.422 5.362 432 3HD1 LEU 58 HD13 LEU 58 2.704 -0.885 6.504 433 1HD2 LEU 58 HD21 LEU 58 -0.905 0.673 7.509 434 2HD2 LEU 58 HD22 LEU 58 -0.455 -0.727 6.538 435 3HD2 LEU 58 HD23 LEU 58 -0.147 -0.723 8.274 436 H THR 59 HN THR 59 1.427 0.384 12.001 437 HA THR 59 HA THR 59 3.317 2.281 13.011 438 HB THR 59 HB THR 59 3.208 1.002 15.108 439 HG1 THR 59 HG1 THR 59 1.461 -0.751 13.693 440 1HG2 THR 59 HG21 THR 59 1.315 2.587 14.143 441 2HG2 THR 59 HG22 THR 59 1.118 1.738 15.677 442 3HG2 THR 59 HG23 THR 59 0.373 1.097 14.213 443 H ALA 60 HN ALA 60 5.380 1.776 13.957 444 HA ALA 60 HA ALA 60 7.159 0.488 12.295 445 1HB ALA 60 HB1 ALA 60 8.303 1.818 13.722 446 2HB ALA 60 HB2 ALA 60 7.244 1.455 15.083 447 3HB ALA 60 HB3 ALA 60 8.498 0.309 14.611 448 H ASP 61 HN ASP 61 5.429 -0.818 15.080 449 HA ASP 61 HA ASP 61 6.730 -3.284 15.274 450 1HB ASP 61 HB2 ASP 61 5.144 -2.385 16.958 451 2HB ASP 61 HB3 ASP 61 3.818 -2.688 15.840 452 H ASP 62 HN ASP 62 4.549 -2.087 12.903 453 HA ASP 62 HA ASP 62 3.473 -4.543 11.988 454 1HB ASP 62 HB2 ASP 62 3.827 -1.952 10.478 455 2HB ASP 62 HB3 ASP 62 2.776 -3.284 10.018 456 H PHE 63 HN PHE 63 6.661 -3.725 11.931 457 HA PHE 63 HA PHE 63 7.660 -3.931 9.438 458 1HB PHE 63 HB2 PHE 63 8.602 -4.807 12.067 459 2HB PHE 63 HB3 PHE 63 9.312 -5.711 10.734 460 HD1 PHE 63 HD1 PHE 63 8.336 -2.139 11.086 461 HD2 PHE 63 HD2 PHE 63 11.458 -4.945 10.407 462 HE1 PHE 63 HE1 PHE 63 9.906 -0.289 10.684 463 HE2 PHE 63 HE2 PHE 63 13.035 -3.104 10.003 464 HZ PHE 63 HZ PHE 63 12.291 -0.795 10.146 465 HA PRO 64 HA PRO 64 7.247 -8.700 9.137 466 1HB PRO 64 HB2 PRO 64 5.983 -10.046 11.111 467 2HB PRO 64 HB3 PRO 64 7.712 -9.682 11.164 468 1HG PRO 64 HG2 PRO 64 5.438 -8.271 12.509 469 2HG PRO 64 HG3 PRO 64 7.026 -8.710 13.164 470 1HD PRO 64 HD2 PRO 64 6.430 -6.208 12.288 471 2HD PRO 64 HD3 PRO 64 8.064 -6.896 12.199 472 H PHE 65 HN PHE 65 5.699 -7.424 7.735 473 HA PHE 65 HA PHE 65 2.896 -7.543 8.337 474 1HB PHE 65 HB2 PHE 65 4.589 -6.423 6.259 475 2HB PHE 65 HB3 PHE 65 3.145 -7.178 5.589 476 HD1 PHE 65 HD1 PHE 65 4.467 -4.454 7.554 477 HD2 PHE 65 HD2 PHE 65 0.908 -6.309 6.175 478 HE1 PHE 65 HE1 PHE 65 3.217 -2.449 8.161 479 HE2 PHE 65 HE2 PHE 65 -0.367 -4.293 6.770 480 HZ PHE 65 HZ PHE 65 0.678 -2.391 7.643 481 H LYS 66 HN LYS 66 1.387 -8.967 7.615 482 HA LYS 66 HA LYS 66 2.195 -11.582 6.903 483 1HB LYS 66 HB2 LYS 66 -0.512 -10.259 6.915 484 2HB LYS 66 HB3 LYS 66 -0.272 -11.962 6.554 485 1HG LYS 66 HG2 LYS 66 0.743 -12.262 8.778 486 2HG LYS 66 HG3 LYS 66 0.407 -10.566 9.134 487 1HD LYS 66 HD2 LYS 66 -1.683 -12.624 8.426 488 2HD LYS 66 HD3 LYS 66 -1.282 -12.123 10.069 489 1HE LYS 66 HE2 LYS 66 -2.310 -10.316 7.882 490 2HE LYS 66 HE3 LYS 66 -3.271 -10.968 9.209 491 1HZ LYS 66 HZ1 LYS 66 -0.971 -9.105 9.440 492 2HZ LYS 66 HZ2 LYS 66 -1.768 -9.806 10.756 493 3HZ LYS 66 HZ3 LYS 66 -2.598 -8.745 9.733 494 H SER 67 HN SER 67 3.521 -10.798 5.074 495 HA SER 67 HA SER 67 3.978 -10.717 2.877 496 1HB SER 67 HB2 SER 67 1.287 -12.046 2.587 497 2HB SER 67 HB3 SER 67 2.556 -12.002 1.362 498 HG SER 67 HG SER 67 3.285 -13.726 2.289 499 H ALA 68 HN ALA 68 3.442 -9.782 0.800 500 HA ALA 68 HA ALA 68 2.618 -7.160 0.940 501 1HB ALA 68 HB1 ALA 68 3.860 -7.597 -0.931 502 2HB ALA 68 HB2 ALA 68 2.999 -9.094 -1.284 503 3HB ALA 68 HB3 ALA 68 2.243 -7.540 -1.636 504 H GLU 69 HN GLU 69 0.685 -10.014 0.558 505 HA GLU 69 HA GLU 69 -1.608 -8.907 -0.573 506 1HB GLU 69 HB2 GLU 69 -2.809 -10.807 0.414 507 2HB GLU 69 HB3 GLU 69 -1.307 -11.310 -0.353 508 1HG GLU 69 HG2 GLU 69 -0.252 -11.288 1.885 509 2HG GLU 69 HG3 GLU 69 -1.839 -10.956 2.570 510 H GLU 70 HN GLU 70 -0.777 -9.258 2.932 511 HA GLU 70 HA GLU 70 -3.193 -7.915 3.641 512 1HB GLU 70 HB2 GLU 70 -2.635 -8.203 5.872 513 2HB GLU 70 HB3 GLU 70 -1.901 -9.593 5.090 514 1HG GLU 70 HG2 GLU 70 0.166 -8.965 5.650 515 2HG GLU 70 HG3 GLU 70 -0.140 -7.277 5.289 516 H VAL 71 HN VAL 71 0.089 -6.903 3.052 517 HA VAL 71 HA VAL 71 -0.069 -4.367 4.272 518 HB VAL 71 HB VAL 71 1.518 -5.157 1.837 519 1HG1 VAL 71 HG11 VAL 71 2.012 -2.900 3.773 520 2HG1 VAL 71 HG12 VAL 71 2.931 -3.276 2.316 521 3HG1 VAL 71 HG13 VAL 71 1.268 -2.703 2.186 522 1HG2 VAL 71 HG21 VAL 71 3.024 -6.129 3.187 523 2HG2 VAL 71 HG22 VAL 71 2.825 -4.926 4.450 524 3HG2 VAL 71 HG23 VAL 71 1.680 -6.257 4.307 525 H ALA 72 HN ALA 72 -0.841 -5.432 0.974 526 HA ALA 72 HA ALA 72 -1.550 -2.913 -0.052 527 1HB ALA 72 HB1 ALA 72 -1.857 -4.083 -1.922 528 2HB ALA 72 HB2 ALA 72 -1.484 -5.541 -1.001 529 3HB ALA 72 HB3 ALA 72 -3.159 -5.020 -1.188 530 H ASP 73 HN ASP 73 -3.486 -5.456 1.492 531 HA ASP 73 HA ASP 73 -5.985 -4.169 1.305 532 1HB ASP 73 HB2 ASP 73 -5.504 -6.605 1.936 533 2HB ASP 73 HB3 ASP 73 -5.140 -6.003 3.548 534 H THR 74 HN THR 74 -3.473 -4.132 3.754 535 HA THR 74 HA THR 74 -4.804 -2.652 5.724 536 HB THR 74 HB THR 74 -1.838 -2.822 5.162 537 HG1 THR 74 HG1 THR 74 -3.094 -4.834 5.570 538 1HG2 THR 74 HG21 THR 74 -3.248 -2.179 7.748 539 2HG2 THR 74 HG22 THR 74 -2.503 -0.979 6.694 540 3HG2 THR 74 HG23 THR 74 -1.509 -2.217 7.462 541 H ILE 75 HN ILE 75 -2.522 -1.578 3.198 542 HA ILE 75 HA ILE 75 -2.520 1.137 3.880 543 HB ILE 75 HB ILE 75 -2.094 -0.158 1.182 544 1HG1 ILE 75 HG12 ILE 75 -0.135 0.825 3.267 545 2HG1 ILE 75 HG13 ILE 75 -0.514 -0.861 2.935 546 1HG2 ILE 75 HG21 ILE 75 -2.502 2.553 1.695 547 2HG2 ILE 75 HG22 ILE 75 -0.756 2.372 1.551 548 3HG2 ILE 75 HG23 ILE 75 -1.809 1.837 0.241 549 1HD1 ILE 75 HD11 ILE 75 0.447 0.820 0.690 550 2HD1 ILE 75 HD12 ILE 75 1.607 0.313 1.917 551 3HD1 ILE 75 HD13 ILE 75 0.698 -0.896 1.012 552 H VAL 76 HN VAL 76 -4.404 -0.509 1.329 553 HA VAL 76 HA VAL 76 -5.906 1.732 0.581 554 HB VAL 76 HB VAL 76 -7.553 0.040 -0.326 555 1HG1 VAL 76 HG11 VAL 76 -5.591 -1.002 -1.807 556 2HG1 VAL 76 HG12 VAL 76 -6.134 0.669 -1.969 557 3HG1 VAL 76 HG13 VAL 76 -4.693 0.297 -1.021 558 1HG2 VAL 76 HG21 VAL 76 -7.516 -1.979 0.630 559 2HG2 VAL 76 HG22 VAL 76 -6.051 -2.276 -0.306 560 3HG2 VAL 76 HG23 VAL 76 -5.934 -1.694 1.352 561 H ASN 77 HN ASN 77 -6.627 -0.814 2.949 562 HA ASN 77 HA ASN 77 -9.232 0.050 3.565 563 1HB ASN 77 HB2 ASN 77 -7.209 -1.594 5.073 564 2HB ASN 77 HB3 ASN 77 -8.800 -1.234 5.741 565 1HD2 ASN 77 HD21 ASN 77 -9.944 -3.026 5.605 566 2HD2 ASN 77 HD22 ASN 77 -10.120 -4.014 4.199 567 H LYS 78 HN LYS 78 -6.152 0.680 5.252 568 HA LYS 78 HA LYS 78 -7.352 2.429 7.159 569 1HB LYS 78 HB2 LYS 78 -4.471 1.964 6.403 570 2HB LYS 78 HB3 LYS 78 -4.987 2.964 7.755 571 1HG LYS 78 HG2 LYS 78 -6.080 1.009 8.766 572 2HG LYS 78 HG3 LYS 78 -5.498 0.014 7.430 573 1HD LYS 78 HD2 LYS 78 -3.200 0.476 8.048 574 2HD LYS 78 HD3 LYS 78 -3.738 1.562 9.330 575 1HE LYS 78 HE2 LYS 78 -4.821 -0.303 10.467 576 2HE LYS 78 HE3 LYS 78 -4.326 -1.393 9.174 577 1HZ LYS 78 HZ1 LYS 78 -2.182 -1.414 9.884 578 2HZ LYS 78 HZ2 LYS 78 -2.936 -1.146 11.374 579 3HZ LYS 78 HZ3 LYS 78 -2.244 0.148 10.532 580 H ALA 79 HN ALA 79 -5.481 2.938 4.196 581 HA ALA 79 HA ALA 79 -5.253 5.740 4.466 582 1HB ALA 79 HB1 ALA 79 -5.246 4.253 1.854 583 2HB ALA 79 HB2 ALA 79 -4.427 5.763 2.254 584 3HB ALA 79 HB3 ALA 79 -3.880 4.247 2.971 585 H GLY 80 HN GLY 80 -7.814 3.719 3.160 586 1HA GLY 80 HA1 GLY 80 -9.865 5.474 3.389 587 2HA GLY 80 HA2 GLY 80 -9.122 5.953 1.868 588 H LEU 81 HN LEU 81 -8.529 3.796 0.572 589 HA LEU 81 HA LEU 81 -11.010 2.828 -0.347 590 1HB LEU 81 HB2 LEU 81 -8.275 1.683 -0.903 591 2HB LEU 81 HB3 LEU 81 -9.714 1.535 -1.902 592 HG LEU 81 HG LEU 81 -8.447 4.204 -1.304 593 1HD1 LEU 81 HD11 LEU 81 -7.827 2.244 -3.505 594 2HD1 LEU 81 HD12 LEU 81 -7.484 3.969 -3.633 595 3HD1 LEU 81 HD13 LEU 81 -6.710 3.007 -2.376 596 1HD2 LEU 81 HD21 LEU 81 -10.655 3.194 -2.986 597 2HD2 LEU 81 HD22 LEU 81 -10.447 4.758 -2.197 598 3HD2 LEU 81 HD23 LEU 81 -9.614 4.418 -3.713 Start of MODEL 12 1 1H GLY -3 HT1 GLY -3 -25.517 1.053 -0.003 2 2H GLY -3 HT2 GLY -3 -26.018 2.626 -0.369 3 3H GLY -3 HT3 GLY -3 -27.006 1.621 0.566 4 1HA GLY -3 HA2 GLY -3 -24.819 3.292 1.364 5 2HA GLY -3 HA1 GLY -3 -26.118 2.612 2.333 6 H SER -2 HN SER -2 -23.030 2.810 2.489 7 HA SER -2 HA SER -2 -21.350 1.603 3.425 8 1HB SER -2 HB2 SER -2 -23.572 -0.307 4.206 9 2HB SER -2 HB3 SER -2 -21.960 -0.240 4.920 10 HG SER -2 HG SER -2 -23.537 0.894 6.156 11 H HIS -1 HN HIS -1 -21.748 -1.513 3.561 12 HA HIS -1 HA HIS -1 -20.860 -3.239 2.383 13 1HB HIS -1 HB2 HIS -1 -21.979 -3.720 0.255 14 2HB HIS -1 HB3 HIS -1 -23.131 -3.202 1.477 15 HD1 HIS -1 HD1 HIS -1 -21.108 -1.461 -1.247 16 HD2 HIS -1 HD2 HIS -1 -24.908 -1.472 0.431 17 HE1 HIS -1 HE1 HIS -1 -22.421 0.241 -2.550 18 HE2 HIS -1 HE2 HIS -1 -24.748 0.135 -1.590 19 H MET 1 HN MET 1 -20.034 -3.746 -0.103 20 HA MET 1 HA MET 1 -17.602 -2.278 -0.268 21 1HB MET 1 HB2 MET 1 -18.792 -4.287 -2.188 22 2HB MET 1 HB3 MET 1 -17.137 -3.696 -2.234 23 1HG MET 1 HG2 MET 1 -16.724 -4.669 -0.036 24 2HG MET 1 HG3 MET 1 -18.385 -5.255 0.018 25 1HE MET 1 HE1 MET 1 -15.724 -8.123 -0.317 26 2HE MET 1 HE2 MET 1 -16.492 -6.980 0.784 27 3HE MET 1 HE3 MET 1 -17.437 -8.286 0.070 28 H LYS 2 HN LYS 2 -17.152 -0.491 -1.368 29 HA LYS 2 HA LYS 2 -19.163 0.807 -2.942 30 1HB LYS 2 HB2 LYS 2 -17.477 2.577 -3.236 31 2HB LYS 2 HB3 LYS 2 -17.666 2.124 -1.549 32 1HG LYS 2 HG2 LYS 2 -15.639 0.756 -1.696 33 2HG LYS 2 HG3 LYS 2 -15.444 1.245 -3.380 34 1HD LYS 2 HD2 LYS 2 -15.245 3.580 -2.683 35 2HD LYS 2 HD3 LYS 2 -15.457 3.099 -0.998 36 1HE LYS 2 HE2 LYS 2 -13.416 1.750 -1.134 37 2HE LYS 2 HE3 LYS 2 -13.204 2.246 -2.812 38 1HZ LYS 2 HZ1 LYS 2 -12.641 3.695 -0.377 39 2HZ LYS 2 HZ2 LYS 2 -13.426 4.610 -1.563 40 3HZ LYS 2 HZ3 LYS 2 -11.956 3.853 -1.915 41 H MET 3 HN MET 3 -16.215 -0.976 -3.575 42 HA MET 3 HA MET 3 -15.371 -1.921 -5.459 43 1HB MET 3 HB2 MET 3 -18.053 -1.209 -6.661 44 2HB MET 3 HB3 MET 3 -16.860 -2.274 -7.391 45 1HG MET 3 HG2 MET 3 -18.278 -2.748 -4.779 46 2HG MET 3 HG3 MET 3 -18.655 -3.522 -6.318 47 1HE MET 3 HE1 MET 3 -15.224 -4.280 -7.260 48 2HE MET 3 HE2 MET 3 -15.938 -5.881 -7.069 49 3HE MET 3 HE3 MET 3 -16.903 -4.557 -7.722 50 H GLY 4 HN GLY 4 -13.909 -1.176 -6.827 51 1HA GLY 4 HA1 GLY 4 -14.167 0.715 -8.802 52 2HA GLY 4 HA2 GLY 4 -13.738 1.626 -7.361 53 H VAL 5 HN VAL 5 -11.687 2.227 -7.808 54 HA VAL 5 HA VAL 5 -9.800 0.424 -8.991 55 HB VAL 5 HB VAL 5 -9.803 2.992 -9.159 56 1HG1 VAL 5 HG11 VAL 5 -8.562 4.223 -7.554 57 2HG1 VAL 5 HG12 VAL 5 -9.714 3.250 -6.637 58 3HG1 VAL 5 HG13 VAL 5 -8.024 2.739 -6.752 59 1HG2 VAL 5 HG21 VAL 5 -8.134 1.782 -10.290 60 2HG2 VAL 5 HG22 VAL 5 -7.324 3.063 -9.394 61 3HG2 VAL 5 HG23 VAL 5 -7.296 1.412 -8.781 62 H LYS 6 HN LYS 6 -10.993 0.659 -5.867 63 HA LYS 6 HA LYS 6 -8.849 0.588 -4.182 64 1HB LYS 6 HB2 LYS 6 -11.183 0.358 -3.429 65 2HB LYS 6 HB3 LYS 6 -11.242 -1.269 -4.089 66 1HG LYS 6 HG2 LYS 6 -9.269 -0.494 -1.969 67 2HG LYS 6 HG3 LYS 6 -10.908 -1.009 -1.576 68 1HD LYS 6 HD2 LYS 6 -10.460 -3.107 -2.883 69 2HD LYS 6 HD3 LYS 6 -8.775 -2.595 -3.001 70 1HE LYS 6 HE2 LYS 6 -8.612 -2.562 -0.564 71 2HE LYS 6 HE3 LYS 6 -10.294 -3.072 -0.443 72 1HZ LYS 6 HZ1 LYS 6 -8.263 -4.673 -1.879 73 2HZ LYS 6 HZ2 LYS 6 -9.788 -5.163 -1.336 74 3HZ LYS 6 HZ3 LYS 6 -8.550 -4.861 -0.223 75 H GLU 7 HN GLU 7 -10.098 -2.074 -6.145 76 HA GLU 7 HA GLU 7 -7.936 -3.828 -5.408 77 1HB GLU 7 HB2 GLU 7 -9.982 -4.082 -7.628 78 2HB GLU 7 HB3 GLU 7 -8.891 -5.352 -7.090 79 1HG GLU 7 HG2 GLU 7 -11.048 -4.071 -5.428 80 2HG GLU 7 HG3 GLU 7 -11.143 -5.649 -6.208 81 H ASP 8 HN ASP 8 -8.687 -1.627 -8.058 82 HA ASP 8 HA ASP 8 -6.741 -2.494 -9.864 83 1HB ASP 8 HB2 ASP 8 -8.281 -0.010 -9.545 84 2HB ASP 8 HB3 ASP 8 -6.959 -0.041 -10.703 85 H ILE 9 HN ILE 9 -6.558 0.202 -7.561 86 HA ILE 9 HA ILE 9 -3.857 0.839 -8.098 87 HB ILE 9 HB ILE 9 -5.706 1.464 -5.796 88 1HG1 ILE 9 HG12 ILE 9 -4.375 3.183 -7.898 89 2HG1 ILE 9 HG13 ILE 9 -6.058 2.678 -7.888 90 1HG2 ILE 9 HG21 ILE 9 -3.538 3.145 -5.470 91 2HG2 ILE 9 HG22 ILE 9 -3.945 1.760 -4.457 92 3HG2 ILE 9 HG23 ILE 9 -2.800 1.575 -5.785 93 1HD1 ILE 9 HD11 ILE 9 -4.844 4.324 -5.693 94 2HD1 ILE 9 HD12 ILE 9 -5.601 5.026 -7.122 95 3HD1 ILE 9 HD13 ILE 9 -6.552 4.031 -6.019 96 H ARG 10 HN ARG 10 -5.481 -1.080 -5.593 97 HA ARG 10 HA ARG 10 -3.239 -1.882 -4.134 98 1HB ARG 10 HB2 ARG 10 -5.750 -2.318 -3.656 99 2HB ARG 10 HB3 ARG 10 -5.583 -3.696 -4.727 100 1HG ARG 10 HG2 ARG 10 -3.803 -4.579 -3.267 101 2HG ARG 10 HG3 ARG 10 -4.087 -3.235 -2.159 102 1HD ARG 10 HD2 ARG 10 -5.251 -5.237 -1.407 103 2HD ARG 10 HD3 ARG 10 -6.396 -3.971 -1.851 104 HE ARG 10 HE ARG 10 -7.244 -5.396 -3.406 105 1HH1 ARG 10 HH12 ARG 10 -3.973 -6.398 -2.709 106 2HH1 ARG 10 HH11 ARG 10 -4.033 -7.761 -3.774 107 1HH2 ARG 10 HH22 ARG 10 -7.325 -7.193 -4.800 108 2HH2 ARG 10 HH21 ARG 10 -5.935 -8.215 -4.959 109 H GLY 11 HN GLY 11 -4.461 -2.870 -7.237 110 1HA GLY 11 HA1 GLY 11 -3.024 -5.321 -7.466 111 2HA GLY 11 HA2 GLY 11 -3.638 -4.355 -8.808 112 H GLN 12 HN GLN 12 -2.379 -2.014 -8.475 113 HA GLN 12 HA GLN 12 0.200 -2.516 -9.534 114 1HB GLN 12 HB2 GLN 12 -1.017 0.046 -8.485 115 2HB GLN 12 HB3 GLN 12 0.448 -0.064 -9.446 116 1HG GLN 12 HG2 GLN 12 -0.892 -1.060 -11.277 117 2HG GLN 12 HG3 GLN 12 -2.335 -0.787 -10.308 118 1HE2 GLN 12 HE21 GLN 12 -0.191 1.712 -9.735 119 2HE2 GLN 12 HE22 GLN 12 -0.821 2.856 -10.860 120 H ILE 13 HN ILE 13 -1.054 -1.925 -6.344 121 HA ILE 13 HA ILE 13 1.397 -1.185 -5.101 122 HB ILE 13 HB ILE 13 -1.145 -2.300 -3.915 123 1HG1 ILE 13 HG12 ILE 13 -0.036 0.514 -3.993 124 2HG1 ILE 13 HG13 ILE 13 -1.362 -0.086 -4.982 125 1HG2 ILE 13 HG21 ILE 13 0.351 -2.804 -2.246 126 2HG2 ILE 13 HG22 ILE 13 1.426 -1.469 -2.659 127 3HG2 ILE 13 HG23 ILE 13 -0.086 -1.152 -1.810 128 1HD1 ILE 13 HD11 ILE 13 -2.041 -0.655 -2.320 129 2HD1 ILE 13 HD12 ILE 13 -1.421 0.996 -2.344 130 3HD1 ILE 13 HD13 ILE 13 -2.762 0.542 -3.395 131 H ILE 14 HN ILE 14 -0.381 -4.245 -5.414 132 HA ILE 14 HA ILE 14 1.296 -5.846 -3.865 133 HB ILE 14 HB ILE 14 -0.480 -6.442 -6.214 134 1HG1 ILE 14 HG12 ILE 14 -1.529 -5.976 -4.048 135 2HG1 ILE 14 HG13 ILE 14 -1.779 -7.657 -4.511 136 1HG2 ILE 14 HG21 ILE 14 -0.098 -8.869 -5.768 137 2HG2 ILE 14 HG22 ILE 14 1.288 -8.041 -6.476 138 3HG2 ILE 14 HG23 ILE 14 1.271 -8.417 -4.753 139 1HD1 ILE 14 HD11 ILE 14 0.246 -8.171 -3.053 140 2HD1 ILE 14 HD12 ILE 14 0.028 -6.546 -2.403 141 3HD1 ILE 14 HD13 ILE 14 -1.261 -7.738 -2.250 142 H GLY 15 HN GLY 15 1.427 -5.145 -7.359 143 1HA GLY 15 HA1 GLY 15 3.823 -6.613 -7.816 144 2HA GLY 15 HA2 GLY 15 3.154 -5.371 -8.872 145 H ALA 16 HN ALA 16 3.110 -3.301 -6.938 146 HA ALA 16 HA ALA 16 5.670 -2.191 -7.267 147 1HB ALA 16 HB1 ALA 16 3.155 -1.436 -5.913 148 2HB ALA 16 HB2 ALA 16 4.623 -0.661 -5.312 149 3HB ALA 16 HB3 ALA 16 4.182 -0.510 -7.013 150 H LEU 17 HN LEU 17 4.293 -4.154 -4.760 151 HA LEU 17 HA LEU 17 6.347 -3.559 -2.820 152 1HB LEU 17 HB2 LEU 17 3.999 -5.440 -2.889 153 2HB LEU 17 HB3 LEU 17 5.172 -5.469 -1.590 154 HG LEU 17 HG LEU 17 3.697 -2.947 -2.300 155 1HD1 LEU 17 HD11 LEU 17 1.817 -4.069 -1.759 156 2HD1 LEU 17 HD12 LEU 17 2.691 -5.343 -0.912 157 3HD1 LEU 17 HD13 LEU 17 2.390 -3.801 -0.112 158 1HD2 LEU 17 HD21 LEU 17 4.632 -2.080 -0.450 159 2HD2 LEU 17 HD22 LEU 17 4.452 -3.572 0.473 160 3HD2 LEU 17 HD23 LEU 17 5.804 -3.382 -0.644 161 H ALA 18 HN ALA 18 5.614 -5.947 -5.230 162 HA ALA 18 HA ALA 18 7.185 -8.084 -4.407 163 1HB ALA 18 HB1 ALA 18 7.489 -8.267 -7.064 164 2HB ALA 18 HB2 ALA 18 5.994 -8.696 -6.232 165 3HB ALA 18 HB3 ALA 18 6.154 -7.117 -7.001 166 H GLY 19 HN GLY 19 9.320 -8.507 -4.343 167 1HA GLY 19 HA1 GLY 19 11.518 -8.217 -5.415 168 2HA GLY 19 HA2 GLY 19 11.131 -6.508 -5.553 169 H ALA 20 HN ALA 20 9.983 -6.308 -2.889 170 HA ALA 20 HA ALA 20 12.169 -5.459 -1.421 171 1HB ALA 20 HB1 ALA 20 9.818 -6.541 0.045 172 2HB ALA 20 HB2 ALA 20 10.702 -5.034 0.282 173 3HB ALA 20 HB3 ALA 20 9.576 -5.193 -1.066 174 H ASP 21 HN ASP 21 12.406 -6.412 0.984 175 HA ASP 21 HA ASP 21 13.916 -8.784 0.754 176 1HB ASP 21 HB2 ASP 21 12.881 -7.122 3.032 177 2HB ASP 21 HB3 ASP 21 13.624 -8.688 3.373 178 H PHE 22 HN PHE 22 12.005 -9.391 3.479 179 HA PHE 22 HA PHE 22 10.848 -11.695 2.313 180 1HB PHE 22 HB2 PHE 22 9.772 -12.069 4.398 181 2HB PHE 22 HB3 PHE 22 11.268 -11.262 4.822 182 HD1 PHE 22 HD1 PHE 22 10.992 -9.951 6.663 183 HD2 PHE 22 HD2 PHE 22 7.885 -10.024 3.771 184 HE1 PHE 22 HE1 PHE 22 9.734 -8.273 7.948 185 HE2 PHE 22 HE2 PHE 22 6.641 -8.321 5.006 186 HZ PHE 22 HZ PHE 22 7.561 -7.473 7.126 187 HA PRO 23 HA PRO 23 7.192 -10.097 0.488 188 1HB PRO 23 HB2 PRO 23 5.007 -11.100 1.756 189 2HB PRO 23 HB3 PRO 23 6.007 -12.045 0.653 190 1HG PRO 23 HG2 PRO 23 6.042 -11.966 3.646 191 2HG PRO 23 HG3 PRO 23 6.143 -13.366 2.560 192 1HD PRO 23 HD2 PRO 23 8.318 -12.304 3.735 193 2HD PRO 23 HD3 PRO 23 8.387 -13.013 2.111 194 H ILE 24 HN ILE 24 8.137 -8.074 1.770 195 HA ILE 24 HA ILE 24 7.162 -5.955 2.125 196 HB ILE 24 HB ILE 24 5.123 -7.416 3.776 197 1HG1 ILE 24 HG12 ILE 24 4.754 -7.792 1.440 198 2HG1 ILE 24 HG13 ILE 24 3.606 -6.554 1.945 199 1HG2 ILE 24 HG21 ILE 24 5.944 -4.715 3.917 200 2HG2 ILE 24 HG22 ILE 24 4.355 -4.753 3.156 201 3HG2 ILE 24 HG23 ILE 24 4.596 -5.493 4.736 202 1HD1 ILE 24 HD11 ILE 24 5.862 -6.403 0.083 203 2HD1 ILE 24 HD12 ILE 24 4.347 -5.505 0.118 204 3HD1 ILE 24 HD13 ILE 24 5.682 -5.024 1.165 205 H ASN 25 HN ASN 25 9.425 -6.371 3.175 206 HA ASN 25 HA ASN 25 9.677 -6.587 5.988 207 1HB ASN 25 HB2 ASN 25 11.381 -5.667 3.744 208 2HB ASN 25 HB3 ASN 25 11.831 -5.128 5.363 209 1HD2 ASN 25 HD21 ASN 25 13.267 -6.317 6.287 210 2HD2 ASN 25 HD22 ASN 25 13.455 -8.030 6.121 211 H SER 26 HN SER 26 7.679 -5.055 6.305 212 HA SER 26 HA SER 26 6.869 -3.073 7.083 213 1HB SER 26 HB2 SER 26 8.303 -1.734 8.453 214 2HB SER 26 HB3 SER 26 8.844 -3.400 8.656 215 HG SER 26 HG SER 26 10.436 -1.581 8.173 216 HA PRO 27 HA PRO 27 6.837 -0.218 3.819 217 1HB PRO 27 HB2 PRO 27 7.197 1.995 5.781 218 2HB PRO 27 HB3 PRO 27 5.970 1.802 4.523 219 1HG PRO 27 HG2 PRO 27 5.385 1.348 7.092 220 2HG PRO 27 HG3 PRO 27 4.695 0.346 5.802 221 1HD PRO 27 HD2 PRO 27 6.875 -0.288 7.730 222 2HD PRO 27 HD3 PRO 27 5.656 -1.357 7.003 223 H GLU 28 HN GLU 28 9.376 0.309 6.214 224 HA GLU 28 HA GLU 28 11.022 1.989 4.754 225 1HB GLU 28 HB2 GLU 28 11.920 -0.333 6.480 226 2HB GLU 28 HB3 GLU 28 12.880 1.079 6.044 227 1HG GLU 28 HG2 GLU 28 11.239 2.503 7.241 228 2HG GLU 28 HG3 GLU 28 10.419 1.035 7.774 229 H GLU 29 HN GLU 29 11.151 -1.570 4.822 230 HA GLU 29 HA GLU 29 12.993 -1.745 2.653 231 1HB GLU 29 HB2 GLU 29 12.704 -3.370 4.524 232 2HB GLU 29 HB3 GLU 29 11.181 -3.839 3.744 233 1HG GLU 29 HG2 GLU 29 13.060 -5.341 3.180 234 2HG GLU 29 HG3 GLU 29 12.366 -4.541 1.768 235 H LEU 30 HN LEU 30 9.598 -2.861 2.951 236 HA LEU 30 HA LEU 30 9.236 -3.678 0.354 237 1HB LEU 30 HB2 LEU 30 6.892 -3.483 0.722 238 2HB LEU 30 HB3 LEU 30 7.613 -3.916 2.259 239 HG LEU 30 HG LEU 30 7.586 -1.329 2.669 240 1HD1 LEU 30 HD11 LEU 30 6.437 -0.036 1.283 241 2HD1 LEU 30 HD12 LEU 30 6.418 -1.392 0.157 242 3HD1 LEU 30 HD13 LEU 30 5.068 -1.150 1.267 243 1HD2 LEU 30 HD21 LEU 30 6.376 -2.901 4.033 244 2HD2 LEU 30 HD22 LEU 30 5.325 -1.539 3.645 245 3HD2 LEU 30 HD23 LEU 30 5.133 -3.069 2.792 246 H MET 31 HN MET 31 8.992 -0.436 1.705 247 HA MET 31 HA MET 31 8.177 0.868 -0.682 248 1HB MET 31 HB2 MET 31 7.996 1.880 1.587 249 2HB MET 31 HB3 MET 31 9.750 2.001 1.640 250 1HG MET 31 HG2 MET 31 9.573 3.416 -0.446 251 2HG MET 31 HG3 MET 31 7.838 3.475 -0.134 252 1HE MET 31 HE1 MET 31 7.916 3.224 2.932 253 2HE MET 31 HE2 MET 31 8.193 4.791 3.692 254 3HE MET 31 HE3 MET 31 6.916 4.609 2.491 255 H ALA 32 HN ALA 32 11.244 -0.136 0.735 256 HA ALA 32 HA ALA 32 12.914 1.344 -1.042 257 1HB ALA 32 HB1 ALA 32 13.245 -0.616 1.057 258 2HB ALA 32 HB2 ALA 32 14.338 -0.927 -0.291 259 3HB ALA 32 HB3 ALA 32 14.351 0.644 0.510 260 H ALA 33 HN ALA 33 11.233 -1.694 -1.247 261 HA ALA 33 HA ALA 33 12.666 -2.793 -3.429 262 1HB ALA 33 HB1 ALA 33 11.206 -4.528 -3.301 263 2HB ALA 33 HB2 ALA 33 10.996 -3.835 -1.691 264 3HB ALA 33 HB3 ALA 33 9.822 -3.492 -2.962 265 H LEU 34 HN LEU 34 9.740 -0.817 -3.205 266 HA LEU 34 HA LEU 34 8.516 -0.955 -5.534 267 1HB LEU 34 HB2 LEU 34 9.326 1.473 -4.012 268 2HB LEU 34 HB3 LEU 34 8.519 1.671 -5.556 269 HG LEU 34 HG LEU 34 6.606 0.369 -4.746 270 1HD1 LEU 34 HD11 LEU 34 6.576 -0.007 -2.198 271 2HD1 LEU 34 HD12 LEU 34 7.437 -1.160 -3.218 272 3HD1 LEU 34 HD13 LEU 34 8.332 0.069 -2.327 273 1HD2 LEU 34 HD21 LEU 34 6.199 2.606 -4.405 274 2HD2 LEU 34 HD22 LEU 34 6.020 1.965 -2.772 275 3HD2 LEU 34 HD23 LEU 34 7.512 2.774 -3.241 276 HA PRO 35 HA PRO 35 11.080 -0.824 -9.056 277 1HB PRO 35 HB2 PRO 35 9.378 0.657 -10.706 278 2HB PRO 35 HB3 PRO 35 9.370 -1.096 -10.493 279 1HG PRO 35 HG2 PRO 35 7.668 0.982 -9.189 280 2HG PRO 35 HG3 PRO 35 7.228 -0.643 -9.748 281 1HD PRO 35 HD2 PRO 35 7.588 -0.149 -7.160 282 2HD PRO 35 HD3 PRO 35 8.162 -1.669 -7.879 283 H ASN 36 HN ASN 36 9.500 2.379 -8.584 284 HA ASN 36 HA ASN 36 11.572 3.699 -10.011 285 1HB ASN 36 HB2 ASN 36 10.497 5.754 -9.465 286 2HB ASN 36 HB3 ASN 36 9.240 4.571 -9.791 287 1HD2 ASN 36 HD21 ASN 36 9.788 3.367 -7.050 288 2HD2 ASN 36 HD22 ASN 36 9.012 4.439 -5.958 289 H GLY 37 HN GLY 37 11.238 2.900 -6.627 290 1HA GLY 37 HA1 GLY 37 13.190 2.876 -5.237 291 2HA GLY 37 HA2 GLY 37 13.828 4.215 -6.176 292 HA PRO 38 HA PRO 38 12.090 7.041 -3.236 293 1HB PRO 38 HB2 PRO 38 11.018 9.071 -4.617 294 2HB PRO 38 HB3 PRO 38 12.754 8.736 -4.651 295 1HG PRO 38 HG2 PRO 38 10.651 8.066 -6.665 296 2HG PRO 38 HG3 PRO 38 12.302 8.662 -6.922 297 1HD PRO 38 HD2 PRO 38 11.548 6.028 -7.142 298 2HD PRO 38 HD3 PRO 38 13.202 6.559 -6.797 299 H ASP 39 HN ASP 39 10.336 4.930 -3.469 300 HA ASP 39 HA ASP 39 8.259 4.221 -3.115 301 1HB ASP 39 HB2 ASP 39 6.932 5.595 -1.571 302 2HB ASP 39 HB3 ASP 39 8.587 5.379 -1.051 303 H THR 40 HN THR 40 7.451 3.981 -5.128 304 HA THR 40 HA THR 40 6.211 6.153 -6.555 305 HB THR 40 HB THR 40 7.219 4.372 -7.860 306 HG1 THR 40 HG1 THR 40 5.613 5.049 -9.093 307 1HG2 THR 40 HG21 THR 40 5.407 2.621 -6.249 308 2HG2 THR 40 HG22 THR 40 7.118 2.418 -6.618 309 3HG2 THR 40 HG23 THR 40 5.907 2.128 -7.864 310 H THR 41 HN THR 41 4.075 6.688 -6.603 311 HA THR 41 HA THR 41 2.303 5.076 -4.899 312 HB THR 41 HB THR 41 2.403 7.258 -3.981 313 HG1 THR 41 HG1 THR 41 0.068 7.324 -5.592 314 1HG2 THR 41 HG21 THR 41 1.516 9.127 -5.721 315 2HG2 THR 41 HG22 THR 41 2.462 8.096 -6.797 316 3HG2 THR 41 HG23 THR 41 3.219 8.819 -5.377 317 H CYS 42 HN CYS 42 0.796 3.942 -5.826 318 HA CYS 42 HA CYS 42 0.252 4.109 -8.626 319 1HB CYS 42 HB2 CYS 42 -1.290 2.598 -6.506 320 2HB CYS 42 HB3 CYS 42 -1.262 2.261 -8.235 321 HG CYS 42 HG CYS 42 1.305 1.802 -6.019 322 H LYS 43 HN LYS 43 -0.236 6.544 -8.068 323 HA LYS 43 HA LYS 43 -2.818 7.130 -7.020 324 1HB LYS 43 HB2 LYS 43 -2.338 9.429 -7.751 325 2HB LYS 43 HB3 LYS 43 -1.001 8.737 -6.843 326 1HG LYS 43 HG2 LYS 43 0.175 8.276 -8.944 327 2HG LYS 43 HG3 LYS 43 -1.159 9.006 -9.838 328 1HD LYS 43 HD2 LYS 43 -0.761 11.134 -8.694 329 2HD LYS 43 HD3 LYS 43 0.573 10.403 -7.798 330 1HE LYS 43 HE2 LYS 43 1.747 9.978 -9.903 331 2HE LYS 43 HE3 LYS 43 0.413 10.708 -10.796 332 1HZ LYS 43 HZ1 LYS 43 0.866 12.768 -9.445 333 2HZ LYS 43 HZ2 LYS 43 2.046 12.362 -10.588 334 3HZ LYS 43 HZ3 LYS 43 2.308 12.036 -8.949 335 H SER 44 HN SER 44 -4.693 7.003 -7.995 336 HA SER 44 HA SER 44 -4.789 6.815 -10.920 337 1HB SER 44 HB2 SER 44 -6.932 6.212 -8.858 338 2HB SER 44 HB3 SER 44 -7.075 5.951 -10.595 339 HG SER 44 HG SER 44 -5.521 4.370 -10.476 340 H GLY 45 HN GLY 45 -4.508 9.029 -11.356 341 1HA GLY 45 HA1 GLY 45 -5.566 11.003 -12.054 342 2HA GLY 45 HA2 GLY 45 -6.943 10.595 -11.039 343 H ASP 46 HN ASP 46 -7.223 12.115 -9.546 344 HA ASP 46 HA ASP 46 -5.123 13.827 -8.664 345 1HB ASP 46 HB2 ASP 46 -7.926 13.461 -7.589 346 2HB ASP 46 HB3 ASP 46 -6.834 14.771 -7.150 347 H VAL 47 HN VAL 47 -6.884 11.145 -7.145 348 HA VAL 47 HA VAL 47 -5.610 11.383 -4.615 349 HB VAL 47 HB VAL 47 -7.015 9.001 -5.830 350 1HG1 VAL 47 HG11 VAL 47 -5.524 9.197 -3.446 351 2HG1 VAL 47 HG12 VAL 47 -7.225 9.155 -2.984 352 3HG1 VAL 47 HG13 VAL 47 -6.551 7.867 -3.982 353 1HG2 VAL 47 HG21 VAL 47 -8.347 11.115 -5.683 354 2HG2 VAL 47 HG22 VAL 47 -8.998 9.767 -4.752 355 3HG2 VAL 47 HG23 VAL 47 -8.124 11.062 -3.935 356 H GLU 48 HN GLU 48 -3.821 10.419 -3.768 357 HA GLU 48 HA GLU 48 -2.329 8.548 -5.479 358 1HB GLU 48 HB2 GLU 48 -0.996 10.546 -3.653 359 2HB GLU 48 HB3 GLU 48 -0.242 9.525 -4.865 360 1HG GLU 48 HG2 GLU 48 -0.235 11.610 -5.851 361 2HG GLU 48 HG3 GLU 48 -1.656 10.841 -6.556 362 H LEU 49 HN LEU 49 -1.492 6.776 -4.492 363 HA LEU 49 HA LEU 49 -1.582 6.626 -1.563 364 1HB LEU 49 HB2 LEU 49 -2.723 4.576 -3.462 365 2HB LEU 49 HB3 LEU 49 -2.465 4.297 -1.752 366 HG LEU 49 HG LEU 49 -4.782 4.775 -2.112 367 1HD1 LEU 49 HD11 LEU 49 -3.366 7.133 -0.881 368 2HD1 LEU 49 HD12 LEU 49 -5.078 6.755 -0.682 369 3HD1 LEU 49 HD13 LEU 49 -3.853 5.646 -0.066 370 1HD2 LEU 49 HD21 LEU 49 -4.563 7.532 -2.985 371 2HD2 LEU 49 HD22 LEU 49 -3.907 6.402 -4.168 372 3HD2 LEU 49 HD23 LEU 49 -5.568 6.224 -3.607 373 H LYS 50 HN LYS 50 0.118 5.583 -0.659 374 HA LYS 50 HA LYS 50 1.669 3.635 -2.037 375 1HB LYS 50 HB2 LYS 50 3.766 4.912 -2.203 376 2HB LYS 50 HB3 LYS 50 2.505 5.595 -3.203 377 1HG LYS 50 HG2 LYS 50 2.122 7.365 -1.637 378 2HG LYS 50 HG3 LYS 50 3.242 6.631 -0.489 379 1HD LYS 50 HD2 LYS 50 5.107 7.060 -1.909 380 2HD LYS 50 HD3 LYS 50 4.057 7.542 -3.242 381 1HE LYS 50 HE2 LYS 50 3.309 9.479 -1.964 382 2HE LYS 50 HE3 LYS 50 4.320 8.988 -0.606 383 1HZ LYS 50 HZ1 LYS 50 5.353 9.665 -3.307 384 2HZ LYS 50 HZ2 LYS 50 6.273 9.337 -1.926 385 3HZ LYS 50 HZ3 LYS 50 5.325 10.736 -1.997 386 H ALA 51 HN ALA 51 4.082 3.889 -0.690 387 HA ALA 51 HA ALA 51 3.308 2.941 1.903 388 1HB ALA 51 HB1 ALA 51 5.098 1.863 0.652 389 2HB ALA 51 HB2 ALA 51 6.053 3.343 0.725 390 3HB ALA 51 HB3 ALA 51 5.680 2.459 2.206 391 H SER 52 HN SER 52 5.185 5.726 0.721 392 HA SER 52 HA SER 52 5.772 6.755 3.281 393 1HB SER 52 HB2 SER 52 7.046 7.427 1.323 394 2HB SER 52 HB3 SER 52 5.614 8.175 0.614 395 HG SER 52 HG SER 52 6.720 8.948 3.107 396 H ASP 53 HN ASP 53 3.257 7.712 0.932 397 HA ASP 53 HA ASP 53 2.070 9.604 2.687 398 1HB ASP 53 HB2 ASP 53 1.022 8.291 0.178 399 2HB ASP 53 HB3 ASP 53 0.212 9.609 1.018 400 H ALA 54 HN ALA 54 1.025 6.352 1.639 401 HA ALA 54 HA ALA 54 -1.138 6.380 3.561 402 1HB ALA 54 HB1 ALA 54 -1.083 5.330 1.174 403 2HB ALA 54 HB2 ALA 54 -0.394 3.946 2.023 404 3HB ALA 54 HB3 ALA 54 -1.986 4.553 2.474 405 H GLY 55 HN GLY 55 1.828 4.463 3.077 406 1HA GLY 55 HA1 GLY 55 1.626 2.602 5.051 407 2HA GLY 55 HA2 GLY 55 3.145 3.364 4.630 408 H GLN 56 HN GLN 56 2.063 6.022 5.573 409 HA GLN 56 HA GLN 56 3.221 6.266 8.002 410 1HB GLN 56 HB2 GLN 56 1.692 8.157 8.467 411 2HB GLN 56 HB3 GLN 56 2.351 8.199 6.836 412 1HG GLN 56 HG2 GLN 56 0.281 7.415 5.927 413 2HG GLN 56 HG3 GLN 56 -0.370 7.128 7.538 414 1HE2 GLN 56 HE21 GLN 56 -0.603 9.125 5.021 415 2HE2 GLN 56 HE22 GLN 56 -1.034 10.596 5.818 416 H VAL 57 HN VAL 57 -0.048 5.122 7.408 417 HA VAL 57 HA VAL 57 -0.898 5.069 10.086 418 HB VAL 57 HB VAL 57 -2.717 3.624 9.299 419 1HG1 VAL 57 HG11 VAL 57 -3.088 5.293 7.137 420 2HG1 VAL 57 HG12 VAL 57 -3.501 5.660 8.812 421 3HG1 VAL 57 HG13 VAL 57 -1.953 6.190 8.150 422 1HG2 VAL 57 HG21 VAL 57 -1.010 2.535 7.564 423 2HG2 VAL 57 HG22 VAL 57 -2.753 2.529 7.304 424 3HG2 VAL 57 HG23 VAL 57 -1.746 3.731 6.500 425 H LEU 58 HN LEU 58 0.898 2.717 8.177 426 HA LEU 58 HA LEU 58 0.496 0.532 9.951 427 1HB LEU 58 HB2 LEU 58 2.897 0.910 8.168 428 2HB LEU 58 HB3 LEU 58 2.204 -0.596 8.741 429 HG LEU 58 HG LEU 58 0.984 1.281 6.716 430 1HD1 LEU 58 HD11 LEU 58 1.405 -1.496 5.976 431 2HD1 LEU 58 HD12 LEU 58 1.846 -0.016 5.127 432 3HD1 LEU 58 HD13 LEU 58 2.905 -0.662 6.379 433 1HD2 LEU 58 HD21 LEU 58 -0.434 -1.105 6.715 434 2HD2 LEU 58 HD22 LEU 58 -0.236 -0.713 8.423 435 3HD2 LEU 58 HD23 LEU 58 -0.987 0.450 7.333 436 H THR 59 HN THR 59 1.295 0.232 11.916 437 HA THR 59 HA THR 59 3.183 2.054 13.055 438 HB THR 59 HB THR 59 2.986 0.702 15.096 439 HG1 THR 59 HG1 THR 59 1.434 -1.088 14.976 440 1HG2 THR 59 HG21 THR 59 1.087 2.295 14.021 441 2HG2 THR 59 HG22 THR 59 0.954 1.554 15.615 442 3HG2 THR 59 HG23 THR 59 0.168 0.804 14.226 443 H ALA 60 HN ALA 60 5.206 1.474 14.046 444 HA ALA 60 HA ALA 60 7.012 0.218 12.389 445 1HB ALA 60 HB1 ALA 60 8.591 0.335 14.184 446 2HB ALA 60 HB2 ALA 60 7.559 1.764 14.267 447 3HB ALA 60 HB3 ALA 60 7.298 0.423 15.382 448 H ASP 61 HN ASP 61 5.247 -1.165 15.141 449 HA ASP 61 HA ASP 61 6.508 -3.635 15.243 450 1HB ASP 61 HB2 ASP 61 4.499 -4.384 16.406 451 2HB ASP 61 HB3 ASP 61 4.983 -2.796 16.969 452 H ASP 62 HN ASP 62 4.369 -2.345 12.885 453 HA ASP 62 HA ASP 62 3.243 -4.750 11.906 454 1HB ASP 62 HB2 ASP 62 3.721 -2.143 10.454 455 2HB ASP 62 HB3 ASP 62 2.673 -3.444 9.914 456 H PHE 63 HN PHE 63 6.443 -4.032 11.970 457 HA PHE 63 HA PHE 63 7.556 -4.223 9.538 458 1HB PHE 63 HB2 PHE 63 8.337 -5.109 12.186 459 2HB PHE 63 HB3 PHE 63 9.012 -6.147 10.937 460 HD1 PHE 63 HD1 PHE 63 8.412 -2.483 11.252 461 HD2 PHE 63 HD2 PHE 63 11.192 -5.607 10.480 462 HE1 PHE 63 HE1 PHE 63 10.163 -0.812 10.818 463 HE2 PHE 63 HE2 PHE 63 12.950 -3.944 10.048 464 HZ PHE 63 HZ PHE 63 12.484 -1.580 10.271 465 HA PRO 64 HA PRO 64 7.071 -8.950 9.006 466 1HB PRO 64 HB2 PRO 64 5.803 -10.395 10.907 467 2HB PRO 64 HB3 PRO 64 7.535 -10.047 10.969 468 1HG PRO 64 HG2 PRO 64 5.281 -8.690 12.400 469 2HG PRO 64 HG3 PRO 64 6.866 -9.183 13.025 470 1HD PRO 64 HD2 PRO 64 6.307 -6.631 12.298 471 2HD PRO 64 HD3 PRO 64 7.927 -7.340 12.141 472 H PHE 65 HN PHE 65 5.543 -7.639 7.654 473 HA PHE 65 HA PHE 65 2.739 -7.746 8.251 474 1HB PHE 65 HB2 PHE 65 4.442 -6.543 6.242 475 2HB PHE 65 HB3 PHE 65 3.027 -7.295 5.508 476 HD1 PHE 65 HD1 PHE 65 4.278 -4.563 7.446 477 HD2 PHE 65 HD2 PHE 65 0.733 -6.554 6.231 478 HE1 PHE 65 HE1 PHE 65 2.982 -2.599 8.098 479 HE2 PHE 65 HE2 PHE 65 -0.590 -4.583 6.875 480 HZ PHE 65 HZ PHE 65 0.419 -2.637 7.677 481 H LYS 66 HN LYS 66 1.199 -9.088 7.417 482 HA LYS 66 HA LYS 66 1.974 -11.708 6.673 483 1HB LYS 66 HB2 LYS 66 -0.716 -10.347 6.609 484 2HB LYS 66 HB3 LYS 66 -0.479 -12.053 6.295 485 1HG LYS 66 HG2 LYS 66 0.156 -10.619 8.863 486 2HG LYS 66 HG3 LYS 66 -1.232 -11.666 8.572 487 1HD LYS 66 HD2 LYS 66 1.645 -12.557 8.391 488 2HD LYS 66 HD3 LYS 66 0.631 -12.757 9.817 489 1HE LYS 66 HE2 LYS 66 0.569 -14.820 8.663 490 2HE LYS 66 HE3 LYS 66 -0.976 -14.033 8.354 491 1HZ LYS 66 HZ1 LYS 66 0.721 -15.045 6.475 492 2HZ LYS 66 HZ2 LYS 66 0.988 -13.379 6.380 493 3HZ LYS 66 HZ3 LYS 66 -0.574 -13.997 6.182 494 H SER 67 HN SER 67 3.357 -10.893 4.887 495 HA SER 67 HA SER 67 3.854 -10.751 2.698 496 1HB SER 67 HB2 SER 67 1.175 -12.095 2.364 497 2HB SER 67 HB3 SER 67 2.425 -11.986 1.125 498 HG SER 67 HG SER 67 2.519 -13.974 2.236 499 H ALA 68 HN ALA 68 3.321 -9.783 0.621 500 HA ALA 68 HA ALA 68 2.501 -7.164 0.810 501 1HB ALA 68 HB1 ALA 68 2.181 -7.420 -1.753 502 2HB ALA 68 HB2 ALA 68 3.783 -7.642 -1.047 503 3HB ALA 68 HB3 ALA 68 2.809 -9.045 -1.484 504 H GLU 69 HN GLU 69 0.552 -10.000 0.341 505 HA GLU 69 HA GLU 69 -1.724 -8.845 -0.772 506 1HB GLU 69 HB2 GLU 69 -2.951 -10.757 0.201 507 2HB GLU 69 HB3 GLU 69 -1.483 -11.244 -0.637 508 1HG GLU 69 HG2 GLU 69 -0.350 -11.334 1.558 509 2HG GLU 69 HG3 GLU 69 -1.904 -10.998 2.316 510 H GLU 70 HN GLU 70 -0.940 -9.308 2.728 511 HA GLU 70 HA GLU 70 -3.332 -7.957 3.466 512 1HB GLU 70 HB2 GLU 70 -2.832 -8.377 5.663 513 2HB GLU 70 HB3 GLU 70 -1.981 -9.681 4.852 514 1HG GLU 70 HG2 GLU 70 0.013 -8.958 5.535 515 2HG GLU 70 HG3 GLU 70 -0.382 -7.276 5.214 516 H VAL 71 HN VAL 71 -0.056 -6.972 2.902 517 HA VAL 71 HA VAL 71 -0.217 -4.430 4.134 518 HB VAL 71 HB VAL 71 1.486 -5.299 1.805 519 1HG1 VAL 71 HG11 VAL 71 2.898 -3.402 3.165 520 2HG1 VAL 71 HG12 VAL 71 1.959 -3.102 1.703 521 3HG1 VAL 71 HG13 VAL 71 1.252 -2.779 3.286 522 1HG2 VAL 71 HG21 VAL 71 2.853 -6.318 3.263 523 2HG2 VAL 71 HG22 VAL 71 2.673 -5.048 4.464 524 3HG2 VAL 71 HG23 VAL 71 1.462 -6.320 4.333 525 H ALA 72 HN ALA 72 -0.995 -5.581 0.890 526 HA ALA 72 HA ALA 72 -1.495 -3.067 -0.278 527 1HB ALA 72 HB1 ALA 72 -1.463 -5.672 -1.154 528 2HB ALA 72 HB2 ALA 72 -3.160 -5.222 -1.309 529 3HB ALA 72 HB3 ALA 72 -1.917 -4.265 -2.115 530 H ASP 73 HN ASP 73 -3.703 -5.441 1.205 531 HA ASP 73 HA ASP 73 -6.028 -3.839 0.894 532 1HB ASP 73 HB2 ASP 73 -5.484 -6.114 2.815 533 2HB ASP 73 HB3 ASP 73 -7.071 -5.431 2.471 534 H THR 74 HN THR 74 -3.751 -4.301 3.547 535 HA THR 74 HA THR 74 -5.093 -2.890 5.544 536 HB THR 74 HB THR 74 -2.123 -3.230 5.094 537 HG1 THR 74 HG1 THR 74 -4.091 -4.678 6.537 538 1HG2 THR 74 HG21 THR 74 -1.837 -2.690 7.451 539 2HG2 THR 74 HG22 THR 74 -3.567 -2.377 7.606 540 3HG2 THR 74 HG23 THR 74 -2.569 -1.334 6.593 541 H ILE 75 HN ILE 75 -2.596 -1.721 3.285 542 HA ILE 75 HA ILE 75 -2.551 0.933 4.157 543 HB ILE 75 HB ILE 75 -1.956 -0.222 1.432 544 1HG1 ILE 75 HG12 ILE 75 -0.145 0.650 3.694 545 2HG1 ILE 75 HG13 ILE 75 -0.530 -1.017 3.284 546 1HG2 ILE 75 HG21 ILE 75 -1.932 2.560 2.405 547 2HG2 ILE 75 HG22 ILE 75 -0.520 2.044 1.483 548 3HG2 ILE 75 HG23 ILE 75 -2.130 1.930 0.770 549 1HD1 ILE 75 HD11 ILE 75 1.669 -0.306 2.460 550 2HD1 ILE 75 HD12 ILE 75 0.582 -0.786 1.157 551 3HD1 ILE 75 HD13 ILE 75 0.882 0.923 1.470 552 H VAL 76 HN VAL 76 -4.328 -0.464 1.397 553 HA VAL 76 HA VAL 76 -5.654 1.879 0.653 554 HB VAL 76 HB VAL 76 -7.343 0.333 -0.415 555 1HG1 VAL 76 HG11 VAL 76 -5.800 0.885 -1.966 556 2HG1 VAL 76 HG12 VAL 76 -4.442 0.445 -0.929 557 3HG1 VAL 76 HG13 VAL 76 -5.337 -0.809 -1.788 558 1HG2 VAL 76 HG21 VAL 76 -7.461 -1.637 0.714 559 2HG2 VAL 76 HG22 VAL 76 -6.254 -2.091 -0.491 560 3HG2 VAL 76 HG23 VAL 76 -5.750 -1.627 1.132 561 H ASN 77 HN ASN 77 -6.638 -0.666 2.924 562 HA ASN 77 HA ASN 77 -9.241 0.270 3.397 563 1HB ASN 77 HB2 ASN 77 -7.362 -1.286 5.180 564 2HB ASN 77 HB3 ASN 77 -9.053 -0.993 5.562 565 1HD2 ASN 77 HD21 ASN 77 -8.947 -1.288 2.282 566 2HD2 ASN 77 HD22 ASN 77 -9.261 -2.978 2.142 567 H LYS 78 HN LYS 78 -6.275 0.829 5.302 568 HA LYS 78 HA LYS 78 -7.530 2.670 7.069 569 1HB LYS 78 HB2 LYS 78 -4.592 2.287 6.501 570 2HB LYS 78 HB3 LYS 78 -5.285 3.077 7.913 571 1HG LYS 78 HG2 LYS 78 -6.388 0.904 8.482 572 2HG LYS 78 HG3 LYS 78 -5.459 0.165 7.177 573 1HD LYS 78 HD2 LYS 78 -4.301 -0.215 9.243 574 2HD LYS 78 HD3 LYS 78 -3.380 0.954 8.296 575 1HE LYS 78 HE2 LYS 78 -3.474 1.650 10.616 576 2HE LYS 78 HE3 LYS 78 -4.381 2.777 9.609 577 1HZ LYS 78 HZ1 LYS 78 -6.130 2.431 10.894 578 2HZ LYS 78 HZ2 LYS 78 -5.280 1.302 11.821 579 3HZ LYS 78 HZ3 LYS 78 -6.148 0.795 10.460 580 H ALA 79 HN ALA 79 -5.536 3.015 4.180 581 HA ALA 79 HA ALA 79 -5.195 5.816 4.348 582 1HB ALA 79 HB1 ALA 79 -3.849 4.210 2.949 583 2HB ALA 79 HB2 ALA 79 -5.190 4.212 1.801 584 3HB ALA 79 HB3 ALA 79 -4.324 5.709 2.150 585 H GLY 80 HN GLY 80 -7.786 3.833 3.063 586 1HA GLY 80 HA1 GLY 80 -9.816 5.591 3.175 587 2HA GLY 80 HA2 GLY 80 -9.007 6.081 1.692 588 H LEU 81 HN LEU 81 -8.350 3.922 0.417 589 HA LEU 81 HA LEU 81 -10.808 2.931 -0.580 590 1HB LEU 81 HB2 LEU 81 -8.044 1.862 -1.127 591 2HB LEU 81 HB3 LEU 81 -9.460 1.727 -2.155 592 HG LEU 81 HG LEU 81 -8.196 4.375 -1.456 593 1HD1 LEU 81 HD11 LEU 81 -7.226 4.242 -3.764 594 2HD1 LEU 81 HD12 LEU 81 -6.496 3.149 -2.587 595 3HD1 LEU 81 HD13 LEU 81 -7.645 2.529 -3.775 596 1HD2 LEU 81 HD21 LEU 81 -10.360 3.445 -3.284 597 2HD2 LEU 81 HD22 LEU 81 -10.286 4.874 -2.252 598 3HD2 LEU 81 HD23 LEU 81 -9.372 4.828 -3.759 Start of MODEL 13 1 1H GLY -3 HT1 GLY -3 -15.179 7.500 0.706 2 2H GLY -3 HT2 GLY -3 -14.857 5.945 1.287 3 3H GLY -3 HT3 GLY -3 -14.863 7.259 2.352 4 1HA GLY -3 HA2 GLY -3 -17.236 7.604 1.919 5 2HA GLY -3 HA1 GLY -3 -17.209 6.183 0.885 6 H SER -2 HN SER -2 -18.404 4.722 1.948 7 HA SER -2 HA SER -2 -17.388 3.373 4.181 8 1HB SER -2 HB2 SER -2 -19.060 3.986 5.894 9 2HB SER -2 HB3 SER -2 -18.054 5.363 5.444 10 HG SER -2 HG SER -2 -19.879 6.322 5.066 11 H HIS -1 HN HIS -1 -20.449 4.329 2.643 12 HA HIS -1 HA HIS -1 -21.793 1.895 3.140 13 1HB HIS -1 HB2 HIS -1 -22.992 3.953 2.579 14 2HB HIS -1 HB3 HIS -1 -22.259 3.960 0.978 15 HD1 HIS -1 HD1 HIS -1 -24.295 1.429 2.982 16 HD2 HIS -1 HD2 HIS -1 -24.010 3.031 -0.842 17 HE1 HIS -1 HE1 HIS -1 -26.107 0.307 1.646 18 HE2 HIS -1 HE2 HIS -1 -25.973 1.358 -0.640 19 H MET 1 HN MET 1 -20.219 3.126 0.192 20 HA MET 1 HA MET 1 -18.993 0.741 -0.540 21 1HB MET 1 HB2 MET 1 -21.256 -0.154 -0.819 22 2HB MET 1 HB3 MET 1 -21.658 1.165 -1.909 23 1HG MET 1 HG2 MET 1 -19.992 0.364 -3.499 24 2HG MET 1 HG3 MET 1 -19.580 -0.955 -2.404 25 1HE MET 1 HE1 MET 1 -23.028 -0.127 -5.029 26 2HE MET 1 HE2 MET 1 -23.774 -0.188 -3.432 27 3HE MET 1 HE3 MET 1 -22.441 0.924 -3.740 28 H LYS 2 HN LYS 2 -17.571 1.130 -2.174 29 HA LYS 2 HA LYS 2 -17.987 3.593 -3.734 30 1HB LYS 2 HB2 LYS 2 -15.548 3.946 -3.690 31 2HB LYS 2 HB3 LYS 2 -16.254 3.982 -2.083 32 1HG LYS 2 HG2 LYS 2 -14.454 2.691 -1.637 33 2HG LYS 2 HG3 LYS 2 -15.565 1.419 -2.139 34 1HD LYS 2 HD2 LYS 2 -13.684 0.899 -3.370 35 2HD LYS 2 HD3 LYS 2 -14.583 1.897 -4.514 36 1HE LYS 2 HE2 LYS 2 -12.356 2.850 -2.721 37 2HE LYS 2 HE3 LYS 2 -12.210 2.502 -4.442 38 1HZ LYS 2 HZ1 LYS 2 -13.956 4.239 -4.792 39 2HZ LYS 2 HZ2 LYS 2 -12.476 4.823 -4.220 40 3HZ LYS 2 HZ3 LYS 2 -13.786 4.662 -3.163 41 H MET 3 HN MET 3 -16.215 0.499 -3.704 42 HA MET 3 HA MET 3 -15.476 -0.848 -5.388 43 1HB MET 3 HB2 MET 3 -18.110 0.026 -6.584 44 2HB MET 3 HB3 MET 3 -17.173 -1.366 -7.108 45 1HG MET 3 HG2 MET 3 -17.444 -2.372 -4.893 46 2HG MET 3 HG3 MET 3 -18.408 -0.985 -4.391 47 1HE MET 3 HE1 MET 3 -19.193 -4.413 -7.084 48 2HE MET 3 HE2 MET 3 -19.286 -3.016 -8.156 49 3HE MET 3 HE3 MET 3 -17.835 -3.293 -7.193 50 H GLY 4 HN GLY 4 -13.787 -0.389 -6.650 51 1HA GLY 4 HA1 GLY 4 -13.957 0.766 -9.163 52 2HA GLY 4 HA2 GLY 4 -13.552 2.071 -8.061 53 H VAL 5 HN VAL 5 -11.490 2.528 -8.351 54 HA VAL 5 HA VAL 5 -9.554 0.678 -9.235 55 HB VAL 5 HB VAL 5 -9.526 3.245 -9.406 56 1HG1 VAL 5 HG11 VAL 5 -8.371 4.469 -7.742 57 2HG1 VAL 5 HG12 VAL 5 -9.562 3.494 -6.878 58 3HG1 VAL 5 HG13 VAL 5 -7.869 2.985 -6.916 59 1HG2 VAL 5 HG21 VAL 5 -7.818 2.016 -10.451 60 2HG2 VAL 5 HG22 VAL 5 -7.035 3.283 -9.511 61 3HG2 VAL 5 HG23 VAL 5 -7.064 1.630 -8.903 62 H LYS 6 HN LYS 6 -10.923 0.915 -6.173 63 HA LYS 6 HA LYS 6 -8.875 0.820 -4.373 64 1HB LYS 6 HB2 LYS 6 -11.131 0.595 -3.590 65 2HB LYS 6 HB3 LYS 6 -11.364 -0.892 -4.498 66 1HG LYS 6 HG2 LYS 6 -9.682 -1.985 -3.038 67 2HG LYS 6 HG3 LYS 6 -9.606 -0.501 -2.086 68 1HD LYS 6 HD2 LYS 6 -11.912 -0.707 -1.465 69 2HD LYS 6 HD3 LYS 6 -12.140 -2.061 -2.574 70 1HE LYS 6 HE2 LYS 6 -10.352 -2.050 -0.143 71 2HE LYS 6 HE3 LYS 6 -11.935 -2.816 -0.254 72 1HZ LYS 6 HZ1 LYS 6 -10.269 -4.466 -0.588 73 2HZ LYS 6 HZ2 LYS 6 -9.489 -3.541 -1.770 74 3HZ LYS 6 HZ3 LYS 6 -11.018 -4.194 -2.081 75 H GLU 7 HN GLU 7 -10.041 -1.836 -6.397 76 HA GLU 7 HA GLU 7 -7.921 -3.601 -5.572 77 1HB GLU 7 HB2 GLU 7 -10.122 -4.487 -6.222 78 2HB GLU 7 HB3 GLU 7 -9.915 -3.838 -7.841 79 1HG GLU 7 HG2 GLU 7 -7.851 -5.709 -6.822 80 2HG GLU 7 HG3 GLU 7 -9.428 -6.368 -7.255 81 H ASP 8 HN ASP 8 -8.550 -1.404 -8.255 82 HA ASP 8 HA ASP 8 -6.541 -2.288 -9.981 83 1HB ASP 8 HB2 ASP 8 -8.038 0.235 -9.715 84 2HB ASP 8 HB3 ASP 8 -6.695 0.149 -10.847 85 H ILE 9 HN ILE 9 -6.410 0.402 -7.660 86 HA ILE 9 HA ILE 9 -3.682 1.003 -8.105 87 HB ILE 9 HB ILE 9 -5.610 1.673 -5.886 88 1HG1 ILE 9 HG12 ILE 9 -4.143 3.356 -7.926 89 2HG1 ILE 9 HG13 ILE 9 -5.830 2.873 -8.007 90 1HG2 ILE 9 HG21 ILE 9 -2.676 1.830 -5.819 91 2HG2 ILE 9 HG22 ILE 9 -3.511 3.319 -5.376 92 3HG2 ILE 9 HG23 ILE 9 -3.846 1.826 -4.499 93 1HD1 ILE 9 HD11 ILE 9 -4.550 5.004 -6.463 94 2HD1 ILE 9 HD12 ILE 9 -6.187 4.889 -7.108 95 3HD1 ILE 9 HD13 ILE 9 -5.777 4.080 -5.596 96 H ARG 10 HN ARG 10 -5.411 -0.880 -5.638 97 HA ARG 10 HA ARG 10 -3.212 -1.703 -4.114 98 1HB ARG 10 HB2 ARG 10 -5.782 -2.104 -3.763 99 2HB ARG 10 HB3 ARG 10 -5.524 -3.538 -4.737 100 1HG ARG 10 HG2 ARG 10 -3.845 -4.319 -3.118 101 2HG ARG 10 HG3 ARG 10 -4.182 -2.901 -2.120 102 1HD ARG 10 HD2 ARG 10 -5.395 -4.851 -1.303 103 2HD ARG 10 HD3 ARG 10 -6.504 -3.610 -1.881 104 HE ARG 10 HE ARG 10 -5.994 -5.389 -3.980 105 1HH1 ARG 10 HH12 ARG 10 -7.580 -5.340 -0.872 106 2HH1 ARG 10 HH11 ARG 10 -8.729 -6.564 -1.299 107 1HH2 ARG 10 HH22 ARG 10 -7.503 -6.998 -4.543 108 2HH2 ARG 10 HH21 ARG 10 -8.685 -7.505 -3.383 109 H GLY 11 HN GLY 11 -4.381 -2.671 -7.240 110 1HA GLY 11 HA1 GLY 11 -2.951 -5.127 -7.457 111 2HA GLY 11 HA2 GLY 11 -3.546 -4.155 -8.803 112 H GLN 12 HN GLN 12 -2.270 -1.794 -8.329 113 HA GLN 12 HA GLN 12 0.302 -2.257 -9.425 114 1HB GLN 12 HB2 GLN 12 -0.840 0.261 -8.195 115 2HB GLN 12 HB3 GLN 12 0.582 0.172 -9.218 116 1HG GLN 12 HG2 GLN 12 -0.814 -0.613 -11.075 117 2HG GLN 12 HG3 GLN 12 -2.236 -0.477 -10.042 118 1HE2 GLN 12 HE21 GLN 12 -3.370 1.279 -10.397 119 2HE2 GLN 12 HE22 GLN 12 -2.754 2.815 -10.896 120 H ILE 13 HN ILE 13 -0.954 -1.744 -6.215 121 HA ILE 13 HA ILE 13 1.518 -1.157 -4.937 122 HB ILE 13 HB ILE 13 -1.065 -2.203 -3.778 123 1HG1 ILE 13 HG12 ILE 13 0.081 0.594 -3.898 124 2HG1 ILE 13 HG13 ILE 13 -1.271 -0.003 -4.854 125 1HG2 ILE 13 HG21 ILE 13 0.091 -2.553 -1.910 126 2HG2 ILE 13 HG22 ILE 13 1.538 -1.806 -2.584 127 3HG2 ILE 13 HG23 ILE 13 0.309 -0.807 -1.810 128 1HD1 ILE 13 HD11 ILE 13 -1.196 0.965 -2.112 129 2HD1 ILE 13 HD12 ILE 13 -2.542 0.862 -3.246 130 3HD1 ILE 13 HD13 ILE 13 -2.075 -0.552 -2.303 131 H ILE 14 HN ILE 14 -0.373 -4.116 -5.408 132 HA ILE 14 HA ILE 14 1.175 -5.835 -3.841 133 HB ILE 14 HB ILE 14 -0.553 -6.287 -6.255 134 1HG1 ILE 14 HG12 ILE 14 -1.676 -5.791 -4.151 135 2HG1 ILE 14 HG13 ILE 14 -1.962 -7.470 -4.598 136 1HG2 ILE 14 HG21 ILE 14 1.093 -8.342 -4.790 137 2HG2 ILE 14 HG22 ILE 14 -0.329 -8.755 -5.749 138 3HG2 ILE 14 HG23 ILE 14 1.066 -8.001 -6.520 139 1HD1 ILE 14 HD11 ILE 14 0.041 -7.976 -3.061 140 2HD1 ILE 14 HD12 ILE 14 -0.263 -6.365 -2.410 141 3HD1 ILE 14 HD13 ILE 14 -1.524 -7.596 -2.343 142 H GLY 15 HN GLY 15 1.395 -5.194 -7.350 143 1HA GLY 15 HA1 GLY 15 3.756 -6.732 -7.722 144 2HA GLY 15 HA2 GLY 15 3.140 -5.504 -8.825 145 H ALA 16 HN ALA 16 3.126 -3.369 -6.978 146 HA ALA 16 HA ALA 16 5.704 -2.328 -7.301 147 1HB ALA 16 HB1 ALA 16 4.783 -0.681 -5.463 148 2HB ALA 16 HB2 ALA 16 4.114 -0.686 -7.094 149 3HB ALA 16 HB3 ALA 16 3.260 -1.516 -5.788 150 H LEU 17 HN LEU 17 4.241 -4.140 -4.714 151 HA LEU 17 HA LEU 17 6.325 -3.607 -2.807 152 1HB LEU 17 HB2 LEU 17 3.930 -5.427 -2.855 153 2HB LEU 17 HB3 LEU 17 5.100 -5.466 -1.553 154 HG LEU 17 HG LEU 17 3.653 -2.938 -2.317 155 1HD1 LEU 17 HD11 LEU 17 1.824 -3.472 -1.124 156 2HD1 LEU 17 HD12 LEU 17 2.305 -5.128 -1.482 157 3HD1 LEU 17 HD13 LEU 17 2.736 -4.399 0.064 158 1HD2 LEU 17 HD21 LEU 17 4.390 -3.333 0.464 159 2HD2 LEU 17 HD22 LEU 17 5.783 -3.448 -0.612 160 3HD2 LEU 17 HD23 LEU 17 4.774 -2.003 -0.632 161 H ALA 18 HN ALA 18 5.530 -5.995 -5.190 162 HA ALA 18 HA ALA 18 7.088 -8.146 -4.332 163 1HB ALA 18 HB1 ALA 18 6.877 -7.458 -7.237 164 2HB ALA 18 HB2 ALA 18 6.830 -9.040 -6.457 165 3HB ALA 18 HB3 ALA 18 5.448 -7.952 -6.328 166 H GLY 19 HN GLY 19 9.214 -8.419 -4.099 167 1HA GLY 19 HA1 GLY 19 11.392 -8.207 -5.335 168 2HA GLY 19 HA2 GLY 19 11.002 -6.499 -5.461 169 H ALA 20 HN ALA 20 9.930 -6.262 -2.788 170 HA ALA 20 HA ALA 20 12.160 -5.446 -1.367 171 1HB ALA 20 HB1 ALA 20 10.721 -4.919 0.310 172 2HB ALA 20 HB2 ALA 20 9.541 -5.188 -0.973 173 3HB ALA 20 HB3 ALA 20 9.864 -6.457 0.208 174 H ASP 21 HN ASP 21 12.395 -6.390 1.051 175 HA ASP 21 HA ASP 21 13.856 -8.796 0.826 176 1HB ASP 21 HB2 ASP 21 12.866 -7.094 3.098 177 2HB ASP 21 HB3 ASP 21 13.588 -8.670 3.447 178 H PHE 22 HN PHE 22 11.941 -9.352 3.570 179 HA PHE 22 HA PHE 22 10.719 -11.627 2.418 180 1HB PHE 22 HB2 PHE 22 9.599 -11.947 4.485 181 2HB PHE 22 HB3 PHE 22 11.094 -11.156 4.939 182 HD1 PHE 22 HD1 PHE 22 10.857 -9.714 6.670 183 HD2 PHE 22 HD2 PHE 22 7.684 -9.981 3.854 184 HE1 PHE 22 HE1 PHE 22 9.602 -7.995 7.896 185 HE2 PHE 22 HE2 PHE 22 6.433 -8.225 5.043 186 HZ PHE 22 HZ PHE 22 7.407 -7.269 7.088 187 HA PRO 23 HA PRO 23 7.167 -9.895 0.494 188 1HB PRO 23 HB2 PRO 23 4.929 -10.876 1.665 189 2HB PRO 23 HB3 PRO 23 5.961 -11.839 0.608 190 1HG PRO 23 HG2 PRO 23 5.912 -11.727 3.607 191 2HG PRO 23 HG3 PRO 23 5.964 -13.149 2.543 192 1HD PRO 23 HD2 PRO 23 8.177 -12.200 3.718 193 2HD PRO 23 HD3 PRO 23 8.227 -12.868 2.074 194 H ILE 24 HN ILE 24 8.117 -7.916 1.828 195 HA ILE 24 HA ILE 24 7.160 -5.783 2.189 196 HB ILE 24 HB ILE 24 5.114 -7.223 3.847 197 1HG1 ILE 24 HG12 ILE 24 4.667 -7.556 1.522 198 2HG1 ILE 24 HG13 ILE 24 3.594 -6.269 2.052 199 1HG2 ILE 24 HG21 ILE 24 4.607 -5.298 4.825 200 2HG2 ILE 24 HG22 ILE 24 5.998 -4.554 4.045 201 3HG2 ILE 24 HG23 ILE 24 4.426 -4.519 3.254 202 1HD1 ILE 24 HD11 ILE 24 5.545 -4.736 1.238 203 2HD1 ILE 24 HD12 ILE 24 5.962 -6.153 0.278 204 3HD1 ILE 24 HD13 ILE 24 4.376 -5.411 0.106 205 H ASN 25 HN ASN 25 9.426 -6.244 3.217 206 HA ASN 25 HA ASN 25 9.673 -6.482 6.029 207 1HB ASN 25 HB2 ASN 25 11.405 -5.580 3.797 208 2HB ASN 25 HB3 ASN 25 11.859 -5.070 5.424 209 1HD2 ASN 25 HD21 ASN 25 13.273 -6.314 6.333 210 2HD2 ASN 25 HD22 ASN 25 13.410 -8.029 6.146 211 H SER 26 HN SER 26 7.696 -4.918 6.340 212 HA SER 26 HA SER 26 6.918 -2.928 7.131 213 1HB SER 26 HB2 SER 26 8.374 -1.628 8.518 214 2HB SER 26 HB3 SER 26 8.876 -3.306 8.707 215 HG SER 26 HG SER 26 10.758 -2.749 8.005 216 HA PRO 27 HA PRO 27 6.924 -0.074 3.859 217 1HB PRO 27 HB2 PRO 27 7.290 2.124 5.840 218 2HB PRO 27 HB3 PRO 27 6.082 1.961 4.561 219 1HG PRO 27 HG2 PRO 27 5.461 1.493 7.127 220 2HG PRO 27 HG3 PRO 27 4.751 0.539 5.811 221 1HD PRO 27 HD2 PRO 27 6.857 -0.215 7.770 222 2HD PRO 27 HD3 PRO 27 5.647 -1.231 6.956 223 H GLU 28 HN GLU 28 9.442 0.353 6.275 224 HA GLU 28 HA GLU 28 11.136 2.042 4.874 225 1HB GLU 28 HB2 GLU 28 11.981 -0.344 6.535 226 2HB GLU 28 HB3 GLU 28 12.951 1.081 6.177 227 1HG GLU 28 HG2 GLU 28 10.420 1.034 7.811 228 2HG GLU 28 HG3 GLU 28 12.064 1.155 8.439 229 H GLU 29 HN GLU 29 11.210 -1.518 4.878 230 HA GLU 29 HA GLU 29 13.054 -1.688 2.708 231 1HB GLU 29 HB2 GLU 29 12.738 -3.329 4.566 232 2HB GLU 29 HB3 GLU 29 11.218 -3.776 3.769 233 1HG GLU 29 HG2 GLU 29 13.085 -5.292 3.202 234 2HG GLU 29 HG3 GLU 29 12.419 -4.466 1.793 235 H LEU 30 HN LEU 30 9.642 -2.766 2.998 236 HA LEU 30 HA LEU 30 9.272 -3.541 0.385 237 1HB LEU 30 HB2 LEU 30 6.940 -3.361 0.758 238 2HB LEU 30 HB3 LEU 30 7.644 -3.766 2.314 239 HG LEU 30 HG LEU 30 7.609 -1.138 2.623 240 1HD1 LEU 30 HD11 LEU 30 6.319 0.063 1.267 241 2HD1 LEU 30 HD12 LEU 30 6.444 -1.295 0.150 242 3HD1 LEU 30 HD13 LEU 30 5.053 -1.167 1.229 243 1HD2 LEU 30 HD21 LEU 30 5.426 -1.361 3.714 244 2HD2 LEU 30 HD22 LEU 30 5.169 -2.886 2.875 245 3HD2 LEU 30 HD23 LEU 30 6.467 -2.741 4.058 246 H MET 31 HN MET 31 9.269 -0.337 1.780 247 HA MET 31 HA MET 31 8.393 1.086 -0.526 248 1HB MET 31 HB2 MET 31 8.330 2.153 1.652 249 2HB MET 31 HB3 MET 31 10.060 1.928 1.855 250 1HG MET 31 HG2 MET 31 10.460 3.477 -0.003 251 2HG MET 31 HG3 MET 31 8.725 3.737 -0.130 252 1HE MET 31 HE1 MET 31 8.141 3.420 3.094 253 2HE MET 31 HE2 MET 31 8.041 5.121 3.555 254 3HE MET 31 HE3 MET 31 7.265 4.563 2.073 255 H ALA 32 HN ALA 32 11.487 -0.060 0.746 256 HA ALA 32 HA ALA 32 13.108 1.304 -1.174 257 1HB ALA 32 HB1 ALA 32 13.781 -1.253 0.271 258 2HB ALA 32 HB2 ALA 32 14.901 -0.063 -0.393 259 3HB ALA 32 HB3 ALA 32 13.904 0.347 1.002 260 H ALA 33 HN ALA 33 11.188 -1.555 -1.251 261 HA ALA 33 HA ALA 33 12.501 -2.873 -3.399 262 1HB ALA 33 HB1 ALA 33 10.954 -3.829 -1.616 263 2HB ALA 33 HB2 ALA 33 9.638 -3.281 -2.654 264 3HB ALA 33 HB3 ALA 33 10.812 -4.449 -3.260 265 H LEU 34 HN LEU 34 9.534 -0.884 -3.250 266 HA LEU 34 HA LEU 34 8.470 -1.181 -5.669 267 1HB LEU 34 HB2 LEU 34 8.902 1.414 -4.224 268 2HB LEU 34 HB3 LEU 34 7.964 1.312 -5.703 269 HG LEU 34 HG LEU 34 6.725 -0.610 -4.337 270 1HD1 LEU 34 HD11 LEU 34 7.100 -0.695 -2.170 271 2HD1 LEU 34 HD12 LEU 34 8.424 0.449 -2.390 272 3HD1 LEU 34 HD13 LEU 34 6.808 1.037 -2.002 273 1HD2 LEU 34 HD21 LEU 34 5.076 1.100 -3.599 274 2HD2 LEU 34 HD22 LEU 34 6.212 2.344 -4.098 275 3HD2 LEU 34 HD23 LEU 34 5.552 1.232 -5.290 276 HA PRO 35 HA PRO 35 11.049 -0.679 -9.113 277 1HB PRO 35 HB2 PRO 35 9.350 1.041 -10.586 278 2HB PRO 35 HB3 PRO 35 9.427 -0.719 -10.670 279 1HG PRO 35 HG2 PRO 35 7.562 1.025 -9.140 280 2HG PRO 35 HG3 PRO 35 7.265 -0.551 -9.896 281 1HD PRO 35 HD2 PRO 35 7.523 -0.334 -7.258 282 2HD PRO 35 HD3 PRO 35 8.229 -1.716 -8.126 283 H ASN 36 HN ASN 36 9.489 2.473 -8.352 284 HA ASN 36 HA ASN 36 11.640 3.920 -9.526 285 1HB ASN 36 HB2 ASN 36 10.529 5.905 -8.855 286 2HB ASN 36 HB3 ASN 36 9.273 4.758 -9.293 287 1HD2 ASN 36 HD21 ASN 36 9.857 3.345 -6.636 288 2HD2 ASN 36 HD22 ASN 36 9.048 4.306 -5.471 289 H GLY 37 HN GLY 37 11.314 2.445 -6.472 290 1HA GLY 37 HA1 GLY 37 13.263 2.258 -5.074 291 2HA GLY 37 HA2 GLY 37 13.711 3.887 -5.554 292 HA PRO 38 HA PRO 38 11.578 5.373 -1.972 293 1HB PRO 38 HB2 PRO 38 10.714 7.803 -2.667 294 2HB PRO 38 HB3 PRO 38 12.439 7.421 -2.618 295 1HG PRO 38 HG2 PRO 38 10.609 7.641 -4.964 296 2HG PRO 38 HG3 PRO 38 12.298 8.153 -4.805 297 1HD PRO 38 HD2 PRO 38 11.435 5.794 -6.006 298 2HD PRO 38 HD3 PRO 38 13.081 6.102 -5.427 299 H ASP 39 HN ASP 39 9.883 3.574 -3.363 300 HA ASP 39 HA ASP 39 7.735 2.885 -3.426 301 1HB ASP 39 HB2 ASP 39 7.541 3.444 -1.141 302 2HB ASP 39 HB3 ASP 39 7.467 5.168 -1.479 303 H THR 40 HN THR 40 7.261 3.169 -5.531 304 HA THR 40 HA THR 40 6.673 5.628 -6.784 305 HB THR 40 HB THR 40 7.353 3.770 -8.139 306 HG1 THR 40 HG1 THR 40 5.457 3.681 -9.592 307 1HG2 THR 40 HG21 THR 40 4.943 2.382 -6.981 308 2HG2 THR 40 HG22 THR 40 6.632 1.884 -6.894 309 3HG2 THR 40 HG23 THR 40 5.770 1.810 -8.430 310 H THR 41 HN THR 41 4.829 6.768 -6.973 311 HA THR 41 HA THR 41 2.576 6.021 -5.346 312 HB THR 41 HB THR 41 2.747 8.368 -7.239 313 HG1 THR 41 HG1 THR 41 3.985 9.339 -5.810 314 1HG2 THR 41 HG21 THR 41 1.261 9.269 -5.263 315 2HG2 THR 41 HG22 THR 41 0.952 7.552 -4.997 316 3HG2 THR 41 HG23 THR 41 0.551 8.292 -6.548 317 H CYS 42 HN CYS 42 0.799 4.991 -5.973 318 HA CYS 42 HA CYS 42 0.382 4.532 -8.844 319 1HB CYS 42 HB2 CYS 42 -0.815 3.092 -6.463 320 2HB CYS 42 HB3 CYS 42 -1.048 2.656 -8.154 321 HG CYS 42 HG CYS 42 1.779 2.178 -8.491 322 H LYS 43 HN LYS 43 -0.281 7.049 -7.910 323 HA LYS 43 HA LYS 43 -3.043 7.192 -7.198 324 1HB LYS 43 HB2 LYS 43 -2.778 9.619 -7.460 325 2HB LYS 43 HB3 LYS 43 -1.503 8.921 -6.476 326 1HG LYS 43 HG2 LYS 43 0.021 9.004 -8.378 327 2HG LYS 43 HG3 LYS 43 -1.260 9.713 -9.365 328 1HD LYS 43 HD2 LYS 43 -1.366 11.638 -7.876 329 2HD LYS 43 HD3 LYS 43 -0.132 10.924 -6.837 330 1HE LYS 43 HE2 LYS 43 0.829 12.618 -8.305 331 2HE LYS 43 HE3 LYS 43 1.476 11.020 -8.675 332 1HZ LYS 43 HZ1 LYS 43 -0.779 12.234 -10.168 333 2HZ LYS 43 HZ2 LYS 43 0.129 10.872 -10.593 334 3HZ LYS 43 HZ3 LYS 43 0.838 12.408 -10.638 335 H SER 44 HN SER 44 -4.772 7.974 -8.417 336 HA SER 44 HA SER 44 -4.412 8.156 -11.315 337 1HB SER 44 HB2 SER 44 -6.391 6.303 -9.965 338 2HB SER 44 HB3 SER 44 -6.321 6.626 -11.698 339 HG SER 44 HG SER 44 -4.420 5.565 -11.834 340 H GLY 45 HN GLY 45 -5.728 9.617 -12.277 341 1HA GLY 45 HA1 GLY 45 -7.350 11.223 -12.542 342 2HA GLY 45 HA2 GLY 45 -8.257 10.425 -11.267 343 H ASP 46 HN ASP 46 -7.140 10.764 -9.010 344 HA ASP 46 HA ASP 46 -5.675 13.115 -8.526 345 1HB ASP 46 HB2 ASP 46 -7.441 14.536 -7.556 346 2HB ASP 46 HB3 ASP 46 -7.694 14.265 -9.278 347 H VAL 47 HN VAL 47 -6.035 10.304 -7.673 348 HA VAL 47 HA VAL 47 -6.179 10.786 -4.773 349 HB VAL 47 HB VAL 47 -7.103 8.277 -6.188 350 1HG1 VAL 47 HG11 VAL 47 -6.181 8.573 -3.601 351 2HG1 VAL 47 HG12 VAL 47 -7.933 8.662 -3.429 352 3HG1 VAL 47 HG13 VAL 47 -7.194 7.262 -4.204 353 1HG2 VAL 47 HG21 VAL 47 -8.670 10.071 -6.595 354 2HG2 VAL 47 HG22 VAL 47 -9.361 8.940 -5.430 355 3HG2 VAL 47 HG23 VAL 47 -8.698 10.478 -4.879 356 H GLU 48 HN GLU 48 -4.321 10.252 -3.748 357 HA GLU 48 HA GLU 48 -2.529 8.376 -5.132 358 1HB GLU 48 HB2 GLU 48 -0.695 9.627 -3.782 359 2HB GLU 48 HB3 GLU 48 -1.335 10.347 -5.252 360 1HG GLU 48 HG2 GLU 48 -1.129 12.032 -3.580 361 2HG GLU 48 HG3 GLU 48 -2.839 11.733 -3.881 362 H LEU 49 HN LEU 49 -1.834 6.662 -4.141 363 HA LEU 49 HA LEU 49 -1.891 6.463 -1.230 364 1HB LEU 49 HB2 LEU 49 -3.334 4.588 -3.107 365 2HB LEU 49 HB3 LEU 49 -2.927 4.163 -1.456 366 HG LEU 49 HG LEU 49 -5.217 4.813 -1.506 367 1HD1 LEU 49 HD11 LEU 49 -5.241 6.666 0.066 368 2HD1 LEU 49 HD12 LEU 49 -3.939 5.534 0.432 369 3HD1 LEU 49 HD13 LEU 49 -3.576 7.064 -0.364 370 1HD2 LEU 49 HD21 LEU 49 -4.458 6.521 -3.563 371 2HD2 LEU 49 HD22 LEU 49 -6.068 6.345 -2.866 372 3HD2 LEU 49 HD23 LEU 49 -4.978 7.589 -2.260 373 H LYS 50 HN LYS 50 -0.161 5.344 -0.474 374 HA LYS 50 HA LYS 50 1.081 3.241 -1.902 375 1HB LYS 50 HB2 LYS 50 3.228 4.351 -2.408 376 2HB LYS 50 HB3 LYS 50 1.890 5.006 -3.336 377 1HG LYS 50 HG2 LYS 50 1.758 6.898 -1.761 378 2HG LYS 50 HG3 LYS 50 3.166 6.253 -0.912 379 1HD LYS 50 HD2 LYS 50 4.484 6.448 -2.982 380 2HD LYS 50 HD3 LYS 50 3.075 7.120 -3.802 381 1HE LYS 50 HE2 LYS 50 3.071 9.023 -2.304 382 2HE LYS 50 HE3 LYS 50 4.409 8.334 -1.388 383 1HZ LYS 50 HZ1 LYS 50 5.893 9.040 -2.881 384 2HZ LYS 50 HZ2 LYS 50 4.673 10.087 -3.408 385 3HZ LYS 50 HZ3 LYS 50 4.932 8.620 -4.209 386 H ALA 51 HN ALA 51 3.598 3.218 -0.921 387 HA ALA 51 HA ALA 51 3.218 2.352 1.706 388 1HB ALA 51 HB1 ALA 51 5.839 3.072 0.416 389 2HB ALA 51 HB2 ALA 51 5.586 1.981 1.778 390 3HB ALA 51 HB3 ALA 51 4.983 1.548 0.178 391 H SER 52 HN SER 52 4.961 5.281 0.595 392 HA SER 52 HA SER 52 5.436 6.144 3.263 393 1HB SER 52 HB2 SER 52 6.347 8.150 2.290 394 2HB SER 52 HB3 SER 52 6.870 6.766 1.335 395 HG SER 52 HG SER 52 5.954 7.661 -0.313 396 H ASP 53 HN ASP 53 3.177 7.360 0.758 397 HA ASP 53 HA ASP 53 2.023 9.293 2.481 398 1HB ASP 53 HB2 ASP 53 1.140 8.105 -0.139 399 2HB ASP 53 HB3 ASP 53 0.177 9.308 0.715 400 H ALA 54 HN ALA 54 0.830 6.099 1.416 401 HA ALA 54 HA ALA 54 -1.371 6.303 3.309 402 1HB ALA 54 HB1 ALA 54 -1.821 5.447 1.070 403 2HB ALA 54 HB2 ALA 54 -0.714 4.106 1.357 404 3HB ALA 54 HB3 ALA 54 -2.190 4.247 2.306 405 H GLY 55 HN GLY 55 1.434 4.184 2.746 406 1HA GLY 55 HA1 GLY 55 1.015 2.351 4.786 407 2HA GLY 55 HA2 GLY 55 2.596 2.817 4.189 408 H GLN 56 HN GLN 56 1.918 5.674 5.067 409 HA GLN 56 HA GLN 56 3.370 5.869 7.358 410 1HB GLN 56 HB2 GLN 56 2.151 7.984 7.818 411 2HB GLN 56 HB3 GLN 56 2.672 7.839 6.143 412 1HG GLN 56 HG2 GLN 56 0.402 7.138 5.525 413 2HG GLN 56 HG3 GLN 56 -0.100 7.339 7.201 414 1HE2 GLN 56 HE21 GLN 56 -1.144 9.149 7.552 415 2HE2 GLN 56 HE22 GLN 56 -0.882 10.657 6.750 416 H VAL 57 HN VAL 57 0.034 4.927 7.058 417 HA VAL 57 HA VAL 57 -0.580 5.101 9.848 418 HB VAL 57 HB VAL 57 -2.680 3.975 9.239 419 1HG1 VAL 57 HG11 VAL 57 -1.654 6.420 7.988 420 2HG1 VAL 57 HG12 VAL 57 -3.074 5.737 7.193 421 3HG1 VAL 57 HG13 VAL 57 -3.137 6.149 8.907 422 1HG2 VAL 57 HG21 VAL 57 -2.476 2.478 7.569 423 2HG2 VAL 57 HG22 VAL 57 -2.797 3.868 6.532 424 3HG2 VAL 57 HG23 VAL 57 -1.137 3.344 6.817 425 H LEU 58 HN LEU 58 1.745 3.367 9.100 426 HA LEU 58 HA LEU 58 0.783 0.919 10.411 427 1HB LEU 58 HB2 LEU 58 2.946 0.960 8.304 428 2HB LEU 58 HB3 LEU 58 2.196 -0.448 9.041 429 HG LEU 58 HG LEU 58 0.809 1.506 7.200 430 1HD1 LEU 58 HD11 LEU 58 1.380 0.235 5.469 431 2HD1 LEU 58 HD12 LEU 58 2.588 -0.489 6.528 432 3HD1 LEU 58 HD13 LEU 58 1.011 -1.255 6.337 433 1HD2 LEU 58 HD21 LEU 58 -0.503 0.258 9.064 434 2HD2 LEU 58 HD22 LEU 58 -1.129 0.277 7.416 435 3HD2 LEU 58 HD23 LEU 58 -0.284 -1.145 8.022 436 H THR 59 HN THR 59 1.701 0.724 12.323 437 HA THR 59 HA THR 59 3.974 2.239 13.127 438 HB THR 59 HB THR 59 3.792 1.026 15.262 439 HG1 THR 59 HG1 THR 59 1.679 -0.406 13.989 440 1HG2 THR 59 HG21 THR 59 1.397 2.265 13.985 441 2HG2 THR 59 HG22 THR 59 2.395 2.855 15.313 442 3HG2 THR 59 HG23 THR 59 1.238 1.554 15.592 443 H ALA 60 HN ALA 60 5.951 1.367 14.025 444 HA ALA 60 HA ALA 60 7.414 -0.200 12.298 445 1HB ALA 60 HB1 ALA 60 9.067 -0.411 14.097 446 2HB ALA 60 HB2 ALA 60 8.441 1.233 13.971 447 3HB ALA 60 HB3 ALA 60 7.871 0.168 15.256 448 H ASP 61 HN ASP 61 5.575 -1.218 15.142 449 HA ASP 61 HA ASP 61 6.427 -3.827 15.412 450 1HB ASP 61 HB2 ASP 61 4.847 -2.763 16.958 451 2HB ASP 61 HB3 ASP 61 3.604 -2.777 15.712 452 H ASP 62 HN ASP 62 4.472 -2.411 12.929 453 HA ASP 62 HA ASP 62 3.345 -4.799 11.888 454 1HB ASP 62 HB2 ASP 62 3.804 -2.109 10.591 455 2HB ASP 62 HB3 ASP 62 2.840 -3.404 9.897 456 H PHE 63 HN PHE 63 6.539 -4.086 12.031 457 HA PHE 63 HA PHE 63 7.658 -4.232 9.581 458 1HB PHE 63 HB2 PHE 63 8.477 -5.040 12.237 459 2HB PHE 63 HB3 PHE 63 9.167 -6.099 11.013 460 HD1 PHE 63 HD1 PHE 63 8.500 -2.439 11.270 461 HD2 PHE 63 HD2 PHE 63 11.319 -5.523 10.470 462 HE1 PHE 63 HE1 PHE 63 10.213 -0.744 10.783 463 HE2 PHE 63 HE2 PHE 63 13.037 -3.835 9.982 464 HZ PHE 63 HZ PHE 63 12.519 -1.469 10.153 465 HA PRO 64 HA PRO 64 7.314 -8.983 9.060 466 1HB PRO 64 HB2 PRO 64 6.042 -10.432 10.970 467 2HB PRO 64 HB3 PRO 64 7.776 -10.092 11.019 468 1HG PRO 64 HG2 PRO 64 5.539 -8.732 12.472 469 2HG PRO 64 HG3 PRO 64 7.132 -9.222 13.079 470 1HD PRO 64 HD2 PRO 64 6.571 -6.671 12.371 471 2HD PRO 64 HD3 PRO 64 8.185 -7.383 12.171 472 H PHE 65 HN PHE 65 5.793 -7.684 7.719 473 HA PHE 65 HA PHE 65 3.003 -7.764 8.312 474 1HB PHE 65 HB2 PHE 65 4.712 -6.489 6.397 475 2HB PHE 65 HB3 PHE 65 3.381 -7.284 5.556 476 HD1 PHE 65 HD1 PHE 65 4.406 -4.417 7.194 477 HD2 PHE 65 HD2 PHE 65 0.992 -6.857 6.611 478 HE1 PHE 65 HE1 PHE 65 2.977 -2.521 7.816 479 HE2 PHE 65 HE2 PHE 65 -0.466 -4.970 7.221 480 HZ PHE 65 HZ PHE 65 0.395 -2.882 7.764 481 H LYS 66 HN LYS 66 1.419 -9.006 7.459 482 HA LYS 66 HA LYS 66 2.089 -11.654 6.688 483 1HB LYS 66 HB2 LYS 66 0.106 -11.159 8.013 484 2HB LYS 66 HB3 LYS 66 -0.570 -10.232 6.688 485 1HG LYS 66 HG2 LYS 66 -0.691 -12.254 5.323 486 2HG LYS 66 HG3 LYS 66 0.007 -13.185 6.648 487 1HD LYS 66 HD2 LYS 66 -1.912 -12.616 8.057 488 2HD LYS 66 HD3 LYS 66 -2.610 -11.684 6.732 489 1HE LYS 66 HE2 LYS 66 -2.731 -13.714 5.370 490 2HE LYS 66 HE3 LYS 66 -2.032 -14.645 6.695 491 1HZ LYS 66 HZ1 LYS 66 -4.471 -13.085 7.184 492 2HZ LYS 66 HZ2 LYS 66 -3.946 -14.517 7.917 493 3HZ LYS 66 HZ3 LYS 66 -4.596 -14.556 6.356 494 H SER 67 HN SER 67 3.433 -10.718 4.849 495 HA SER 67 HA SER 67 3.831 -10.672 2.633 496 1HB SER 67 HB2 SER 67 1.086 -11.901 2.467 497 2HB SER 67 HB3 SER 67 2.229 -11.801 1.133 498 HG SER 67 HG SER 67 2.265 -13.823 2.298 499 H ALA 68 HN ALA 68 3.283 -9.675 0.589 500 HA ALA 68 HA ALA 68 2.536 -7.026 0.809 501 1HB ALA 68 HB1 ALA 68 3.057 -8.892 -1.395 502 2HB ALA 68 HB2 ALA 68 2.071 -7.491 -1.814 503 3HB ALA 68 HB3 ALA 68 3.674 -7.265 -1.113 504 H GLU 69 HN GLU 69 0.520 -9.818 0.347 505 HA GLU 69 HA GLU 69 -1.755 -8.490 -0.681 506 1HB GLU 69 HB2 GLU 69 -3.004 -10.484 0.106 507 2HB GLU 69 HB3 GLU 69 -1.587 -10.901 -0.846 508 1HG GLU 69 HG2 GLU 69 -0.369 -11.316 1.255 509 2HG GLU 69 HG3 GLU 69 -1.860 -10.993 2.136 510 H GLU 70 HN GLU 70 -0.579 -9.176 2.563 511 HA GLU 70 HA GLU 70 -2.841 -8.253 3.971 512 1HB GLU 70 HB2 GLU 70 -1.346 -9.628 5.130 513 2HB GLU 70 HB3 GLU 70 0.051 -8.717 4.585 514 1HG GLU 70 HG2 GLU 70 -0.205 -8.292 6.864 515 2HG GLU 70 HG3 GLU 70 -0.708 -6.841 6.001 516 H VAL 71 HN VAL 71 0.156 -6.733 2.940 517 HA VAL 71 HA VAL 71 -0.325 -4.223 4.165 518 HB VAL 71 HB VAL 71 1.461 -4.903 1.839 519 1HG1 VAL 71 HG11 VAL 71 2.609 -2.796 3.127 520 2HG1 VAL 71 HG12 VAL 71 1.621 -2.663 1.673 521 3HG1 VAL 71 HG13 VAL 71 0.897 -2.396 3.259 522 1HG2 VAL 71 HG21 VAL 71 1.545 -5.679 4.526 523 2HG2 VAL 71 HG22 VAL 71 2.812 -5.848 3.324 524 3HG2 VAL 71 HG23 VAL 71 2.762 -4.417 4.350 525 H ALA 72 HN ALA 72 -0.969 -5.466 0.912 526 HA ALA 72 HA ALA 72 -1.762 -3.082 -0.286 527 1HB ALA 72 HB1 ALA 72 -3.447 -5.154 -1.251 528 2HB ALA 72 HB2 ALA 72 -2.006 -4.473 -2.004 529 3HB ALA 72 HB3 ALA 72 -1.864 -5.852 -0.916 530 H ASP 73 HN ASP 73 -3.610 -5.422 1.606 531 HA ASP 73 HA ASP 73 -6.084 -4.013 1.423 532 1HB ASP 73 HB2 ASP 73 -5.128 -6.205 3.280 533 2HB ASP 73 HB3 ASP 73 -6.779 -5.583 3.261 534 H THR 74 HN THR 74 -3.607 -4.325 3.945 535 HA THR 74 HA THR 74 -4.830 -2.835 5.944 536 HB THR 74 HB THR 74 -1.868 -2.985 5.345 537 HG1 THR 74 HG1 THR 74 -3.606 -4.656 6.864 538 1HG2 THR 74 HG21 THR 74 -2.353 -1.228 6.942 539 2HG2 THR 74 HG22 THR 74 -1.625 -2.599 7.779 540 3HG2 THR 74 HG23 THR 74 -3.363 -2.324 7.884 541 H ILE 75 HN ILE 75 -2.597 -1.711 3.410 542 HA ILE 75 HA ILE 75 -2.545 0.983 4.193 543 HB ILE 75 HB ILE 75 -2.111 -0.219 1.456 544 1HG1 ILE 75 HG12 ILE 75 -0.160 0.588 3.624 545 2HG1 ILE 75 HG13 ILE 75 -0.580 -1.064 3.189 546 1HG2 ILE 75 HG21 ILE 75 -2.620 2.198 1.371 547 2HG2 ILE 75 HG22 ILE 75 -1.279 2.488 2.482 548 3HG2 ILE 75 HG23 ILE 75 -0.968 1.828 0.877 549 1HD1 ILE 75 HD11 ILE 75 0.697 0.898 1.305 550 2HD1 ILE 75 HD12 ILE 75 1.586 -0.276 2.275 551 3HD1 ILE 75 HD13 ILE 75 0.446 -0.828 1.047 552 H VAL 76 HN VAL 76 -4.441 -0.556 1.576 553 HA VAL 76 HA VAL 76 -5.850 1.749 0.859 554 HB VAL 76 HB VAL 76 -7.557 0.168 -0.111 555 1HG1 VAL 76 HG11 VAL 76 -6.267 -0.077 -1.951 556 2HG1 VAL 76 HG12 VAL 76 -5.157 0.941 -1.030 557 3HG1 VAL 76 HG13 VAL 76 -4.936 -0.810 -1.054 558 1HG2 VAL 76 HG21 VAL 76 -6.320 -2.240 -0.172 559 2HG2 VAL 76 HG22 VAL 76 -5.961 -1.723 1.474 560 3HG2 VAL 76 HG23 VAL 76 -7.636 -1.826 0.930 561 H ASN 77 HN ASN 77 -6.676 -0.762 3.238 562 HA ASN 77 HA ASN 77 -9.262 0.189 3.808 563 1HB ASN 77 HB2 ASN 77 -7.311 -1.418 5.454 564 2HB ASN 77 HB3 ASN 77 -8.927 -1.015 6.027 565 1HD2 ASN 77 HD21 ASN 77 -7.294 -3.469 4.885 566 2HD2 ASN 77 HD22 ASN 77 -8.490 -4.269 3.929 567 H LYS 78 HN LYS 78 -6.177 0.812 5.481 568 HA LYS 78 HA LYS 78 -7.324 2.649 7.328 569 1HB LYS 78 HB2 LYS 78 -4.450 2.183 6.531 570 2HB LYS 78 HB3 LYS 78 -4.963 3.182 7.884 571 1HG LYS 78 HG2 LYS 78 -5.992 1.226 8.936 572 2HG LYS 78 HG3 LYS 78 -5.458 0.226 7.583 573 1HD LYS 78 HD2 LYS 78 -3.137 0.701 8.115 574 2HD LYS 78 HD3 LYS 78 -3.635 1.780 9.420 575 1HE LYS 78 HE2 LYS 78 -4.185 -1.181 9.268 576 2HE LYS 78 HE3 LYS 78 -2.955 -0.413 10.269 577 1HZ LYS 78 HZ1 LYS 78 -5.860 -0.468 10.606 578 2HZ LYS 78 HZ2 LYS 78 -5.037 0.917 11.120 579 3HZ LYS 78 HZ3 LYS 78 -4.635 -0.593 11.767 580 H ALA 79 HN ALA 79 -5.481 3.036 4.325 581 HA ALA 79 HA ALA 79 -5.288 5.854 4.466 582 1HB ALA 79 HB1 ALA 79 -4.317 5.768 2.376 583 2HB ALA 79 HB2 ALA 79 -3.981 4.158 3.011 584 3HB ALA 79 HB3 ALA 79 -5.296 4.393 1.859 585 H GLY 80 HN GLY 80 -7.798 3.725 3.252 586 1HA GLY 80 HA1 GLY 80 -9.920 5.363 3.394 587 2HA GLY 80 HA2 GLY 80 -9.162 5.905 1.902 588 H LEU 81 HN LEU 81 -8.421 3.822 0.581 589 HA LEU 81 HA LEU 81 -10.827 2.699 -0.386 590 1HB LEU 81 HB2 LEU 81 -8.007 1.801 -0.960 591 2HB LEU 81 HB3 LEU 81 -9.422 1.552 -1.968 592 HG LEU 81 HG LEU 81 -8.353 4.296 -1.311 593 1HD1 LEU 81 HD11 LEU 81 -7.390 4.214 -3.622 594 2HD1 LEU 81 HD12 LEU 81 -6.580 3.169 -2.454 595 3HD1 LEU 81 HD13 LEU 81 -7.698 2.478 -3.630 596 1HD2 LEU 81 HD21 LEU 81 -10.508 4.579 -2.079 597 2HD2 LEU 81 HD22 LEU 81 -9.585 4.663 -3.580 598 3HD2 LEU 81 HD23 LEU 81 -10.430 3.177 -3.146 Start of MODEL 14 1 1H GLY -3 HT1 GLY -3 -20.778 13.935 1.732 2 2H GLY -3 HT2 GLY -3 -19.479 14.076 0.660 3 3H GLY -3 HT3 GLY -3 -19.377 14.760 2.203 4 1HA GLY -3 HA2 GLY -3 -18.100 12.690 2.030 5 2HA GLY -3 HA1 GLY -3 -19.370 12.620 3.244 6 H SER -2 HN SER -2 -19.548 12.315 -0.291 7 HA SER -2 HA SER -2 -19.782 9.529 -0.396 8 1HB SER -2 HB2 SER -2 -21.844 9.846 0.891 9 2HB SER -2 HB3 SER -2 -22.441 10.978 -0.323 10 HG SER -2 HG SER -2 -22.362 9.235 -1.833 11 H HIS -1 HN HIS -1 -19.686 8.855 -2.471 12 HA HIS -1 HA HIS -1 -20.835 10.143 -4.681 13 1HB HIS -1 HB2 HIS -1 -18.834 11.100 -5.747 14 2HB HIS -1 HB3 HIS -1 -19.207 11.912 -4.230 15 HD1 HIS -1 HD1 HIS -1 -17.787 10.581 -2.115 16 HD2 HIS -1 HD2 HIS -1 -16.182 10.691 -5.947 17 HE1 HIS -1 HE1 HIS -1 -15.322 10.173 -1.824 18 HE2 HIS -1 HE2 HIS -1 -14.360 10.331 -4.147 19 H MET 1 HN MET 1 -20.729 7.540 -3.866 20 HA MET 1 HA MET 1 -20.389 5.434 -4.649 21 1HB MET 1 HB2 MET 1 -19.340 6.866 -7.096 22 2HB MET 1 HB3 MET 1 -19.742 5.157 -7.012 23 1HG MET 1 HG2 MET 1 -22.071 5.724 -6.555 24 2HG MET 1 HG3 MET 1 -21.669 7.439 -6.638 25 1HE MET 1 HE1 MET 1 -20.205 4.705 -9.496 26 2HE MET 1 HE2 MET 1 -21.367 4.125 -8.303 27 3HE MET 1 HE3 MET 1 -21.870 4.373 -9.975 28 H LYS 2 HN LYS 2 -18.859 3.929 -4.288 29 HA LYS 2 HA LYS 2 -16.260 4.763 -3.475 30 1HB LYS 2 HB2 LYS 2 -17.433 2.881 -2.406 31 2HB LYS 2 HB3 LYS 2 -17.352 1.976 -3.910 32 1HG LYS 2 HG2 LYS 2 -15.651 1.239 -2.335 33 2HG LYS 2 HG3 LYS 2 -14.923 1.946 -3.779 34 1HD LYS 2 HD2 LYS 2 -14.555 4.039 -2.583 35 2HD LYS 2 HD3 LYS 2 -15.323 3.364 -1.144 36 1HE LYS 2 HE2 LYS 2 -12.808 2.333 -2.455 37 2HE LYS 2 HE3 LYS 2 -12.880 3.301 -0.982 38 1HZ LYS 2 HZ1 LYS 2 -14.376 1.419 -0.129 39 2HZ LYS 2 HZ2 LYS 2 -12.709 1.142 -0.207 40 3HZ LYS 2 HZ3 LYS 2 -13.728 0.507 -1.398 41 H MET 3 HN MET 3 -14.338 4.631 -4.529 42 HA MET 3 HA MET 3 -14.388 4.476 -7.356 43 1HB MET 3 HB2 MET 3 -12.137 4.658 -5.362 44 2HB MET 3 HB3 MET 3 -11.840 4.545 -7.091 45 1HG MET 3 HG2 MET 3 -11.744 6.841 -6.398 46 2HG MET 3 HG3 MET 3 -13.145 6.594 -7.436 47 1HE MET 3 HE1 MET 3 -11.912 7.115 -3.720 48 2HE MET 3 HE2 MET 3 -13.434 6.950 -2.843 49 3HE MET 3 HE3 MET 3 -12.744 5.560 -3.685 50 H GLY 4 HN GLY 4 -14.047 2.837 -8.704 51 1HA GLY 4 HA1 GLY 4 -13.984 0.167 -7.736 52 2HA GLY 4 HA2 GLY 4 -13.847 0.662 -9.415 53 H VAL 5 HN VAL 5 -11.499 2.385 -8.760 54 HA VAL 5 HA VAL 5 -9.482 0.562 -9.402 55 HB VAL 5 HB VAL 5 -9.515 3.138 -9.633 56 1HG1 VAL 5 HG11 VAL 5 -8.408 4.388 -7.936 57 2HG1 VAL 5 HG12 VAL 5 -9.648 3.428 -7.125 58 3HG1 VAL 5 HG13 VAL 5 -7.959 2.908 -7.073 59 1HG2 VAL 5 HG21 VAL 5 -7.740 1.938 -10.606 60 2HG2 VAL 5 HG22 VAL 5 -7.017 3.226 -9.647 61 3HG2 VAL 5 HG23 VAL 5 -7.037 1.579 -9.027 62 H LYS 6 HN LYS 6 -10.944 0.949 -6.365 63 HA LYS 6 HA LYS 6 -8.909 0.944 -4.543 64 1HB LYS 6 HB2 LYS 6 -11.175 0.789 -3.774 65 2HB LYS 6 HB3 LYS 6 -11.414 -0.747 -4.595 66 1HG LYS 6 HG2 LYS 6 -9.937 -1.853 -3.045 67 2HG LYS 6 HG3 LYS 6 -9.546 -0.315 -2.272 68 1HD LYS 6 HD2 LYS 6 -11.826 -0.063 -1.524 69 2HD LYS 6 HD3 LYS 6 -12.314 -1.509 -2.409 70 1HE LYS 6 HE2 LYS 6 -10.916 -2.882 -0.989 71 2HE LYS 6 HE3 LYS 6 -10.329 -1.452 -0.140 72 1HZ LYS 6 HZ1 LYS 6 -11.971 -1.996 1.277 73 2HZ LYS 6 HZ2 LYS 6 -12.852 -2.862 0.123 74 3HZ LYS 6 HZ3 LYS 6 -12.956 -1.176 0.172 75 H GLU 7 HN GLU 7 -10.029 -1.725 -6.530 76 HA GLU 7 HA GLU 7 -8.000 -3.537 -5.597 77 1HB GLU 7 HB2 GLU 7 -8.898 -5.070 -7.246 78 2HB GLU 7 HB3 GLU 7 -10.216 -4.314 -6.366 79 1HG GLU 7 HG2 GLU 7 -10.950 -4.307 -8.560 80 2HG GLU 7 HG3 GLU 7 -10.334 -2.673 -8.325 81 H ASP 8 HN ASP 8 -8.492 -1.406 -8.377 82 HA ASP 8 HA ASP 8 -6.392 -2.335 -9.958 83 1HB ASP 8 HB2 ASP 8 -7.946 0.158 -9.874 84 2HB ASP 8 HB3 ASP 8 -6.515 0.096 -10.892 85 H ILE 9 HN ILE 9 -6.402 0.428 -7.726 86 HA ILE 9 HA ILE 9 -3.676 1.066 -8.042 87 HB ILE 9 HB ILE 9 -5.709 1.698 -5.908 88 1HG1 ILE 9 HG12 ILE 9 -4.179 3.410 -7.876 89 2HG1 ILE 9 HG13 ILE 9 -5.851 2.891 -8.044 90 1HG2 ILE 9 HG21 ILE 9 -3.677 3.380 -5.293 91 2HG2 ILE 9 HG22 ILE 9 -4.006 1.869 -4.446 92 3HG2 ILE 9 HG23 ILE 9 -2.781 1.921 -5.715 93 1HD1 ILE 9 HD11 ILE 9 -6.171 4.984 -7.227 94 2HD1 ILE 9 HD12 ILE 9 -6.087 4.090 -5.709 95 3HD1 ILE 9 HD13 ILE 9 -4.674 4.969 -6.294 96 H ARG 10 HN ARG 10 -5.466 -0.913 -5.690 97 HA ARG 10 HA ARG 10 -3.299 -1.669 -4.079 98 1HB ARG 10 HB2 ARG 10 -5.819 -2.173 -3.738 99 2HB ARG 10 HB3 ARG 10 -5.562 -3.532 -4.820 100 1HG ARG 10 HG2 ARG 10 -3.815 -4.379 -3.289 101 2HG ARG 10 HG3 ARG 10 -4.210 -3.070 -2.173 102 1HD ARG 10 HD2 ARG 10 -6.133 -5.188 -3.123 103 2HD ARG 10 HD3 ARG 10 -5.298 -5.195 -1.571 104 HE ARG 10 HE ARG 10 -6.724 -2.780 -1.898 105 1HH1 ARG 10 HH12 ARG 10 -7.220 -6.177 -1.272 106 2HH1 ARG 10 HH11 ARG 10 -8.683 -5.929 -0.379 107 1HH2 ARG 10 HH22 ARG 10 -8.647 -2.451 -0.720 108 2HH2 ARG 10 HH21 ARG 10 -9.488 -3.814 -0.061 109 H GLY 11 HN GLY 11 -4.341 -2.655 -7.248 110 1HA GLY 11 HA1 GLY 11 -2.817 -5.049 -7.458 111 2HA GLY 11 HA2 GLY 11 -3.386 -4.065 -8.808 112 H GLN 12 HN GLN 12 -2.197 -1.671 -8.136 113 HA GLN 12 HA GLN 12 0.426 -2.018 -9.172 114 1HB GLN 12 HB2 GLN 12 -0.835 0.417 -7.889 115 2HB GLN 12 HB3 GLN 12 0.623 0.407 -8.865 116 1HG GLN 12 HG2 GLN 12 -0.688 -0.347 -10.795 117 2HG GLN 12 HG3 GLN 12 -2.147 -0.281 -9.808 118 1HE2 GLN 12 HE21 GLN 12 -3.312 1.458 -10.138 119 2HE2 GLN 12 HE22 GLN 12 -2.719 3.025 -10.559 120 H ILE 13 HN ILE 13 -0.969 -1.695 -5.995 121 HA ILE 13 HA ILE 13 1.433 -1.072 -4.602 122 HB ILE 13 HB ILE 13 -1.142 -2.268 -3.577 123 1HG1 ILE 13 HG12 ILE 13 -0.121 0.582 -3.541 124 2HG1 ILE 13 HG13 ILE 13 -1.401 -0.032 -4.581 125 1HG2 ILE 13 HG21 ILE 13 0.244 -2.765 -1.838 126 2HG2 ILE 13 HG22 ILE 13 1.378 -1.473 -2.228 127 3HG2 ILE 13 HG23 ILE 13 -0.142 -1.097 -1.418 128 1HD1 ILE 13 HD11 ILE 13 -2.011 -0.635 -1.855 129 2HD1 ILE 13 HD12 ILE 13 -1.642 1.082 -2.026 130 3HD1 ILE 13 HD13 ILE 13 -2.907 0.349 -3.013 131 H ILE 14 HN ILE 14 -0.372 -4.082 -5.167 132 HA ILE 14 HA ILE 14 1.258 -5.781 -3.658 133 HB ILE 14 HB ILE 14 -0.524 -6.234 -6.031 134 1HG1 ILE 14 HG12 ILE 14 -1.581 -5.855 -3.865 135 2HG1 ILE 14 HG13 ILE 14 -1.828 -7.523 -4.371 136 1HG2 ILE 14 HG21 ILE 14 1.208 -8.298 -4.675 137 2HG2 ILE 14 HG22 ILE 14 -0.189 -8.694 -5.675 138 3HG2 ILE 14 HG23 ILE 14 1.195 -7.860 -6.383 139 1HD1 ILE 14 HD11 ILE 14 -1.307 -7.707 -2.135 140 2HD1 ILE 14 HD12 ILE 14 0.232 -8.036 -2.927 141 3HD1 ILE 14 HD13 ILE 14 -0.070 -6.455 -2.209 142 H GLY 15 HN GLY 15 1.402 -5.036 -7.150 143 1HA GLY 15 HA1 GLY 15 3.777 -6.507 -7.632 144 2HA GLY 15 HA2 GLY 15 3.140 -5.221 -8.652 145 H ALA 16 HN ALA 16 3.117 -3.205 -6.680 146 HA ALA 16 HA ALA 16 5.684 -2.115 -6.945 147 1HB ALA 16 HB1 ALA 16 3.244 -1.432 -5.358 148 2HB ALA 16 HB2 ALA 16 4.758 -0.591 -5.016 149 3HB ALA 16 HB3 ALA 16 4.054 -0.516 -6.632 150 H LEU 17 HN LEU 17 4.225 -4.095 -4.487 151 HA LEU 17 HA LEU 17 6.300 -3.684 -2.537 152 1HB LEU 17 HB2 LEU 17 3.937 -5.545 -2.716 153 2HB LEU 17 HB3 LEU 17 5.078 -5.594 -1.390 154 HG LEU 17 HG LEU 17 3.546 -3.101 -2.109 155 1HD1 LEU 17 HD11 LEU 17 1.745 -3.732 -0.927 156 2HD1 LEU 17 HD12 LEU 17 2.302 -5.364 -1.297 157 3HD1 LEU 17 HD13 LEU 17 2.700 -4.626 0.254 158 1HD2 LEU 17 HD21 LEU 17 4.405 -3.615 0.650 159 2HD2 LEU 17 HD22 LEU 17 5.720 -3.427 -0.510 160 3HD2 LEU 17 HD23 LEU 17 4.519 -2.151 -0.326 161 H ALA 18 HN ALA 18 5.539 -5.905 -5.081 162 HA ALA 18 HA ALA 18 7.085 -8.114 -4.375 163 1HB ALA 18 HB1 ALA 18 5.483 -7.697 -6.397 164 2HB ALA 18 HB2 ALA 18 6.973 -7.241 -7.226 165 3HB ALA 18 HB3 ALA 18 6.806 -8.855 -6.536 166 H GLY 19 HN GLY 19 9.222 -8.645 -4.518 167 1HA GLY 19 HA1 GLY 19 11.414 -8.335 -5.495 168 2HA GLY 19 HA2 GLY 19 11.045 -6.625 -5.658 169 H ALA 20 HN ALA 20 9.923 -6.396 -2.978 170 HA ALA 20 HA ALA 20 12.110 -5.516 -1.544 171 1HB ALA 20 HB1 ALA 20 9.758 -6.617 -0.078 172 2HB ALA 20 HB2 ALA 20 10.668 -5.133 0.204 173 3HB ALA 20 HB3 ALA 20 9.546 -5.234 -1.153 174 H ASP 21 HN ASP 21 12.391 -6.429 0.856 175 HA ASP 21 HA ASP 21 13.968 -8.747 0.663 176 1HB ASP 21 HB2 ASP 21 12.830 -7.128 2.936 177 2HB ASP 21 HB3 ASP 21 13.727 -8.620 3.261 178 H PHE 22 HN PHE 22 12.173 -9.470 3.407 179 HA PHE 22 HA PHE 22 11.086 -11.802 2.252 180 1HB PHE 22 HB2 PHE 22 10.095 -12.263 4.364 181 2HB PHE 22 HB3 PHE 22 11.555 -11.384 4.752 182 HD1 PHE 22 HD1 PHE 22 10.988 -10.471 6.862 183 HD2 PHE 22 HD2 PHE 22 8.343 -9.935 3.598 184 HE1 PHE 22 HE1 PHE 22 9.704 -8.921 8.226 185 HE2 PHE 22 HE2 PHE 22 7.025 -8.360 4.956 186 HZ PHE 22 HZ PHE 22 7.727 -7.840 7.266 187 HA PRO 23 HA PRO 23 7.276 -10.294 0.651 188 1HB PRO 23 HB2 PRO 23 5.133 -11.234 1.996 189 2HB PRO 23 HB3 PRO 23 6.127 -12.255 0.960 190 1HG PRO 23 HG2 PRO 23 6.165 -11.973 3.935 191 2HG PRO 23 HG3 PRO 23 6.279 -13.440 2.946 192 1HD PRO 23 HD2 PRO 23 8.437 -12.220 4.058 193 2HD PRO 23 HD3 PRO 23 8.528 -13.145 2.547 194 H ILE 24 HN ILE 24 8.349 -8.256 1.903 195 HA ILE 24 HA ILE 24 7.411 -6.097 2.209 196 HB ILE 24 HB ILE 24 5.402 -7.478 3.962 197 1HG1 ILE 24 HG12 ILE 24 5.090 -7.851 1.557 198 2HG1 ILE 24 HG13 ILE 24 3.831 -6.789 2.186 199 1HG2 ILE 24 HG21 ILE 24 6.281 -4.812 4.061 200 2HG2 ILE 24 HG22 ILE 24 4.715 -4.793 3.257 201 3HG2 ILE 24 HG23 ILE 24 4.878 -5.512 4.852 202 1HD1 ILE 24 HD11 ILE 24 5.995 -6.258 0.273 203 2HD1 ILE 24 HD12 ILE 24 4.373 -5.576 0.381 204 3HD1 ILE 24 HD13 ILE 24 5.654 -4.973 1.432 205 H ASN 25 HN ASN 25 9.705 -6.381 3.212 206 HA ASN 25 HA ASN 25 10.015 -6.609 6.026 207 1HB ASN 25 HB2 ASN 25 11.665 -5.578 3.777 208 2HB ASN 25 HB3 ASN 25 12.106 -5.053 5.401 209 1HD2 ASN 25 HD21 ASN 25 10.653 -8.141 5.041 210 2HD2 ASN 25 HD22 ASN 25 12.079 -9.076 5.300 211 H SER 26 HN SER 26 7.967 -5.133 6.369 212 HA SER 26 HA SER 26 7.131 -3.188 7.220 213 1HB SER 26 HB2 SER 26 8.564 -1.822 8.530 214 2HB SER 26 HB3 SER 26 9.280 -3.430 8.622 215 HG SER 26 HG SER 26 10.603 -1.399 8.041 216 HA PRO 27 HA PRO 27 6.775 -0.419 3.889 217 1HB PRO 27 HB2 PRO 27 7.078 1.849 5.797 218 2HB PRO 27 HB3 PRO 27 5.812 1.555 4.599 219 1HG PRO 27 HG2 PRO 27 5.386 1.126 7.208 220 2HG PRO 27 HG3 PRO 27 4.672 0.082 5.964 221 1HD PRO 27 HD2 PRO 27 6.952 -0.447 7.802 222 2HD PRO 27 HD3 PRO 27 5.768 -1.576 7.111 223 H GLU 28 HN GLU 28 9.352 0.281 6.186 224 HA GLU 28 HA GLU 28 10.842 2.038 4.642 225 1HB GLU 28 HB2 GLU 28 11.912 -0.153 6.431 226 2HB GLU 28 HB3 GLU 28 12.785 1.285 5.919 227 1HG GLU 28 HG2 GLU 28 11.197 2.687 7.129 228 2HG GLU 28 HG3 GLU 28 10.310 1.250 7.636 229 H GLU 29 HN GLU 29 11.155 -1.525 4.773 230 HA GLU 29 HA GLU 29 12.989 -1.628 2.601 231 1HB GLU 29 HB2 GLU 29 12.755 -3.261 4.483 232 2HB GLU 29 HB3 GLU 29 11.270 -3.807 3.681 233 1HG GLU 29 HG2 GLU 29 13.226 -5.223 3.145 234 2HG GLU 29 HG3 GLU 29 12.528 -4.447 1.723 235 H LEU 30 HN LEU 30 9.629 -2.870 2.895 236 HA LEU 30 HA LEU 30 9.298 -3.677 0.289 237 1HB LEU 30 HB2 LEU 30 6.943 -3.542 0.653 238 2HB LEU 30 HB3 LEU 30 7.680 -3.993 2.178 239 HG LEU 30 HG LEU 30 7.583 -1.451 2.695 240 1HD1 LEU 30 HD11 LEU 30 6.410 -1.461 0.140 241 2HD1 LEU 30 HD12 LEU 30 5.124 -1.107 1.295 242 3HD1 LEU 30 HD13 LEU 30 6.578 -0.108 1.258 243 1HD2 LEU 30 HD21 LEU 30 5.248 -1.706 3.527 244 2HD2 LEU 30 HD22 LEU 30 5.164 -3.233 2.654 245 3HD2 LEU 30 HD23 LEU 30 6.325 -3.029 3.965 246 H MET 31 HN MET 31 8.905 -0.450 1.669 247 HA MET 31 HA MET 31 8.043 0.836 -0.700 248 1HB MET 31 HB2 MET 31 7.881 1.807 1.610 249 2HB MET 31 HB3 MET 31 9.621 2.056 1.569 250 1HG MET 31 HG2 MET 31 9.303 3.510 -0.416 251 2HG MET 31 HG3 MET 31 7.562 3.349 -0.199 252 1HE MET 31 HE1 MET 31 7.357 4.775 3.562 253 2HE MET 31 HE2 MET 31 6.369 4.105 2.266 254 3HE MET 31 HE3 MET 31 7.620 3.117 3.020 255 H ALA 32 HN ALA 32 11.158 -0.105 0.646 256 HA ALA 32 HA ALA 32 12.737 1.444 -1.179 257 1HB ALA 32 HB1 ALA 32 14.213 0.847 0.382 258 2HB ALA 32 HB2 ALA 32 13.195 -0.480 0.941 259 3HB ALA 32 HB3 ALA 32 14.292 -0.722 -0.419 260 H ALA 33 HN ALA 33 11.158 -1.644 -1.298 261 HA ALA 33 HA ALA 33 12.599 -2.750 -3.473 262 1HB ALA 33 HB1 ALA 33 9.788 -3.528 -2.889 263 2HB ALA 33 HB2 ALA 33 11.177 -4.531 -3.307 264 3HB ALA 33 HB3 ALA 33 11.044 -3.841 -1.689 265 H LEU 34 HN LEU 34 9.685 -0.783 -3.256 266 HA LEU 34 HA LEU 34 8.346 -1.028 -5.503 267 1HB LEU 34 HB2 LEU 34 9.292 1.485 -4.203 268 2HB LEU 34 HB3 LEU 34 8.375 1.584 -5.696 269 HG LEU 34 HG LEU 34 6.488 0.449 -4.679 270 1HD1 LEU 34 HD11 LEU 34 6.582 -0.010 -2.194 271 2HD1 LEU 34 HD12 LEU 34 7.483 -1.116 -3.230 272 3HD1 LEU 34 HD13 LEU 34 8.334 0.139 -2.335 273 1HD2 LEU 34 HD21 LEU 34 5.976 2.564 -4.154 274 2HD2 LEU 34 HD22 LEU 34 6.430 2.114 -2.512 275 3HD2 LEU 34 HD23 LEU 34 7.597 2.906 -3.562 276 HA PRO 35 HA PRO 35 10.669 -1.282 -9.178 277 1HB PRO 35 HB2 PRO 35 8.950 0.322 -10.747 278 2HB PRO 35 HB3 PRO 35 8.914 -1.433 -10.566 279 1HG PRO 35 HG2 PRO 35 7.310 0.651 -9.173 280 2HG PRO 35 HG3 PRO 35 6.850 -0.993 -9.653 281 1HD PRO 35 HD2 PRO 35 7.363 -0.409 -7.107 282 2HD PRO 35 HD3 PRO 35 7.896 -1.953 -7.807 283 H ASN 36 HN ASN 36 9.474 2.069 -8.619 284 HA ASN 36 HA ASN 36 11.478 3.157 -10.317 285 1HB ASN 36 HB2 ASN 36 10.662 5.294 -9.767 286 2HB ASN 36 HB3 ASN 36 9.254 4.244 -9.725 287 1HD2 ASN 36 HD21 ASN 36 10.081 3.109 -7.107 288 2HD2 ASN 36 HD22 ASN 36 9.745 4.329 -5.944 289 H GLY 37 HN GLY 37 11.474 2.325 -6.945 290 1HA GLY 37 HA1 GLY 37 13.579 2.029 -5.824 291 2HA GLY 37 HA2 GLY 37 14.221 3.363 -6.770 292 HA PRO 38 HA PRO 38 13.117 6.114 -3.483 293 1HB PRO 38 HB2 PRO 38 12.327 8.381 -4.658 294 2HB PRO 38 HB3 PRO 38 13.976 7.773 -4.844 295 1HG PRO 38 HG2 PRO 38 11.666 7.600 -6.733 296 2HG PRO 38 HG3 PRO 38 13.373 7.943 -7.076 297 1HD PRO 38 HD2 PRO 38 12.176 5.480 -7.393 298 2HD PRO 38 HD3 PRO 38 13.916 5.721 -7.165 299 H ASP 39 HN ASP 39 10.993 4.301 -3.853 300 HA ASP 39 HA ASP 39 8.846 3.986 -3.180 301 1HB ASP 39 HB2 ASP 39 8.660 6.882 -2.401 302 2HB ASP 39 HB3 ASP 39 7.904 5.481 -1.644 303 H THR 40 HN THR 40 8.016 3.660 -5.291 304 HA THR 40 HA THR 40 7.183 5.865 -6.926 305 HB THR 40 HB THR 40 7.858 3.741 -7.964 306 HG1 THR 40 HG1 THR 40 6.126 3.665 -9.434 307 1HG2 THR 40 HG21 THR 40 5.469 2.223 -7.615 308 2HG2 THR 40 HG22 THR 40 6.133 2.607 -6.028 309 3HG2 THR 40 HG23 THR 40 7.129 1.775 -7.221 310 H THR 41 HN THR 41 5.216 6.805 -7.089 311 HA THR 41 HA THR 41 3.197 6.026 -5.130 312 HB THR 41 HB THR 41 3.193 8.425 -6.972 313 HG1 THR 41 HG1 THR 41 4.969 8.394 -5.449 314 1HG2 THR 41 HG21 THR 41 1.292 9.116 -5.953 315 2HG2 THR 41 HG22 THR 41 1.771 8.467 -4.386 316 3HG2 THR 41 HG23 THR 41 1.089 7.399 -5.612 317 H CYS 42 HN CYS 42 1.441 4.885 -5.655 318 HA CYS 42 HA CYS 42 0.853 4.410 -8.481 319 1HB CYS 42 HB2 CYS 42 -0.333 3.112 -6.014 320 2HB CYS 42 HB3 CYS 42 -0.602 2.606 -7.680 321 HG CYS 42 HG CYS 42 1.371 1.170 -5.827 322 H LYS 43 HN LYS 43 0.323 6.976 -7.586 323 HA LYS 43 HA LYS 43 -2.401 7.290 -6.796 324 1HB LYS 43 HB2 LYS 43 -1.993 9.687 -7.224 325 2HB LYS 43 HB3 LYS 43 -0.773 8.966 -6.184 326 1HG LYS 43 HG2 LYS 43 0.764 8.823 -8.069 327 2HG LYS 43 HG3 LYS 43 -0.465 9.517 -9.129 328 1HD LYS 43 HD2 LYS 43 -0.462 11.565 -7.794 329 2HD LYS 43 HD3 LYS 43 0.755 10.871 -6.723 330 1HE LYS 43 HE2 LYS 43 2.316 10.716 -8.600 331 2HE LYS 43 HE3 LYS 43 1.098 11.406 -9.673 332 1HZ LYS 43 HZ1 LYS 43 1.971 12.859 -7.259 333 2HZ LYS 43 HZ2 LYS 43 1.270 13.471 -8.670 334 3HZ LYS 43 HZ3 LYS 43 2.876 12.943 -8.687 335 H SER 44 HN SER 44 -4.165 7.420 -7.982 336 HA SER 44 HA SER 44 -3.889 7.570 -10.908 337 1HB SER 44 HB2 SER 44 -6.188 6.515 -9.234 338 2HB SER 44 HB3 SER 44 -6.145 6.556 -10.996 339 HG SER 44 HG SER 44 -4.543 5.044 -10.992 340 H GLY 45 HN GLY 45 -4.357 9.507 -11.758 341 1HA GLY 45 HA1 GLY 45 -5.319 11.575 -12.052 342 2HA GLY 45 HA2 GLY 45 -6.710 10.945 -11.178 343 H ASP 46 HN ASP 46 -7.212 12.368 -9.633 344 HA ASP 46 HA ASP 46 -5.252 14.024 -8.367 345 1HB ASP 46 HB2 ASP 46 -7.173 14.787 -6.966 346 2HB ASP 46 HB3 ASP 46 -7.463 14.915 -8.698 347 H VAL 47 HN VAL 47 -7.001 11.105 -7.483 348 HA VAL 47 HA VAL 47 -6.284 11.058 -4.749 349 HB VAL 47 HB VAL 47 -6.970 8.729 -6.547 350 1HG1 VAL 47 HG11 VAL 47 -7.881 8.266 -3.945 351 2HG1 VAL 47 HG12 VAL 47 -6.548 7.463 -4.773 352 3HG1 VAL 47 HG13 VAL 47 -6.235 8.878 -3.768 353 1HG2 VAL 47 HG21 VAL 47 -9.153 9.238 -6.380 354 2HG2 VAL 47 HG22 VAL 47 -9.001 9.802 -4.716 355 3HG2 VAL 47 HG23 VAL 47 -8.564 10.867 -6.052 356 H GLU 48 HN GLU 48 -4.631 10.025 -3.657 357 HA GLU 48 HA GLU 48 -2.531 8.734 -5.239 358 1HB GLU 48 HB2 GLU 48 -1.942 10.795 -3.110 359 2HB GLU 48 HB3 GLU 48 -0.785 9.994 -4.164 360 1HG GLU 48 HG2 GLU 48 -1.711 11.142 -6.090 361 2HG GLU 48 HG3 GLU 48 -2.923 11.910 -5.068 362 H LEU 49 HN LEU 49 -1.878 6.881 -4.352 363 HA LEU 49 HA LEU 49 -2.001 6.525 -1.453 364 1HB LEU 49 HB2 LEU 49 -3.334 4.717 -3.463 365 2HB LEU 49 HB3 LEU 49 -2.949 4.204 -1.833 366 HG LEU 49 HG LEU 49 -5.256 4.796 -1.895 367 1HD1 LEU 49 HD11 LEU 49 -4.016 5.447 0.111 368 2HD1 LEU 49 HD12 LEU 49 -3.722 7.037 -0.591 369 3HD1 LEU 49 HD13 LEU 49 -5.368 6.534 -0.210 370 1HD2 LEU 49 HD21 LEU 49 -5.053 7.621 -2.480 371 2HD2 LEU 49 HD22 LEU 49 -4.510 6.630 -3.834 372 3HD2 LEU 49 HD23 LEU 49 -6.123 6.398 -3.163 373 H LYS 50 HN LYS 50 -0.324 5.376 -0.658 374 HA LYS 50 HA LYS 50 1.096 3.398 -2.097 375 1HB LYS 50 HB2 LYS 50 3.264 4.748 -2.189 376 2HB LYS 50 HB3 LYS 50 2.052 5.095 -3.411 377 1HG LYS 50 HG2 LYS 50 1.387 7.086 -2.311 378 2HG LYS 50 HG3 LYS 50 2.333 6.683 -0.880 379 1HD LYS 50 HD2 LYS 50 3.486 7.230 -3.607 380 2HD LYS 50 HD3 LYS 50 3.391 8.413 -2.302 381 1HE LYS 50 HE2 LYS 50 5.553 7.597 -2.100 382 2HE LYS 50 HE3 LYS 50 4.655 6.642 -0.921 383 1HZ LYS 50 HZ1 LYS 50 4.625 5.375 -3.456 384 2HZ LYS 50 HZ2 LYS 50 5.203 4.791 -1.978 385 3HZ LYS 50 HZ3 LYS 50 6.218 5.694 -2.983 386 H ALA 51 HN ALA 51 3.522 3.371 -0.913 387 HA ALA 51 HA ALA 51 2.908 2.578 1.736 388 1HB ALA 51 HB1 ALA 51 5.603 2.946 0.440 389 2HB ALA 51 HB2 ALA 51 5.276 2.056 1.928 390 3HB ALA 51 HB3 ALA 51 4.626 1.479 0.393 391 H SER 52 HN SER 52 4.879 5.289 0.490 392 HA SER 52 HA SER 52 5.484 6.325 3.049 393 1HB SER 52 HB2 SER 52 6.805 6.883 1.046 394 2HB SER 52 HB3 SER 52 5.432 7.775 0.392 395 HG SER 52 HG SER 52 6.300 9.386 1.425 396 H ASP 53 HN ASP 53 3.042 7.288 0.651 397 HA ASP 53 HA ASP 53 1.944 9.356 2.250 398 1HB ASP 53 HB2 ASP 53 0.753 7.873 -0.099 399 2HB ASP 53 HB3 ASP 53 0.105 9.354 0.598 400 H ALA 54 HN ALA 54 0.676 6.104 1.453 401 HA ALA 54 HA ALA 54 -1.304 6.405 3.575 402 1HB ALA 54 HB1 ALA 54 -2.310 5.589 1.647 403 2HB ALA 54 HB2 ALA 54 -0.992 4.469 1.313 404 3HB ALA 54 HB3 ALA 54 -2.100 4.153 2.646 405 H GLY 55 HN GLY 55 1.282 4.129 2.651 406 1HA GLY 55 HA1 GLY 55 1.064 2.250 4.631 407 2HA GLY 55 HA2 GLY 55 2.604 2.776 3.975 408 H GLN 56 HN GLN 56 2.089 5.548 5.015 409 HA GLN 56 HA GLN 56 3.603 5.591 7.269 410 1HB GLN 56 HB2 GLN 56 2.433 7.733 7.848 411 2HB GLN 56 HB3 GLN 56 3.016 7.642 6.190 412 1HG GLN 56 HG2 GLN 56 0.756 7.080 5.441 413 2HG GLN 56 HG3 GLN 56 0.184 7.190 7.105 414 1HE2 GLN 56 HE21 GLN 56 -0.805 9.014 7.538 415 2HE2 GLN 56 HE22 GLN 56 -0.462 10.558 6.845 416 H VAL 57 HN VAL 57 0.228 4.777 7.049 417 HA VAL 57 HA VAL 57 -0.350 4.972 9.831 418 HB VAL 57 HB VAL 57 -2.454 3.865 9.279 419 1HG1 VAL 57 HG11 VAL 57 -1.398 6.208 7.871 420 2HG1 VAL 57 HG12 VAL 57 -2.823 5.491 7.112 421 3HG1 VAL 57 HG13 VAL 57 -2.890 6.014 8.796 422 1HG2 VAL 57 HG21 VAL 57 -1.016 3.256 6.728 423 2HG2 VAL 57 HG22 VAL 57 -1.997 2.199 7.739 424 3HG2 VAL 57 HG23 VAL 57 -2.772 3.422 6.734 425 H LEU 58 HN LEU 58 1.978 3.228 9.135 426 HA LEU 58 HA LEU 58 1.058 0.839 10.576 427 1HB LEU 58 HB2 LEU 58 3.135 0.744 8.393 428 2HB LEU 58 HB3 LEU 58 2.370 -0.612 9.206 429 HG LEU 58 HG LEU 58 0.938 1.310 7.364 430 1HD1 LEU 58 HD11 LEU 58 2.447 -1.175 6.862 431 2HD1 LEU 58 HD12 LEU 58 0.884 -1.026 6.060 432 3HD1 LEU 58 HD13 LEU 58 2.127 0.197 5.805 433 1HD2 LEU 58 HD21 LEU 58 0.073 -0.899 9.104 434 2HD2 LEU 58 HD22 LEU 58 -0.831 0.482 8.482 435 3HD2 LEU 58 HD23 LEU 58 -0.568 -0.931 7.461 436 H THR 59 HN THR 59 2.082 0.791 12.471 437 HA THR 59 HA THR 59 4.395 2.354 13.012 438 HB THR 59 HB THR 59 4.373 1.306 15.240 439 HG1 THR 59 HG1 THR 59 3.661 -0.791 14.590 440 1HG2 THR 59 HG21 THR 59 2.132 2.067 15.927 441 2HG2 THR 59 HG22 THR 59 1.651 2.138 14.231 442 3HG2 THR 59 HG23 THR 59 2.915 3.209 14.835 443 H ALA 60 HN ALA 60 6.450 1.603 13.778 444 HA ALA 60 HA ALA 60 7.818 -0.066 12.091 445 1HB ALA 60 HB1 ALA 60 9.632 0.339 13.381 446 2HB ALA 60 HB2 ALA 60 8.556 1.535 14.102 447 3HB ALA 60 HB3 ALA 60 8.785 -0.029 14.883 448 H ASP 61 HN ASP 61 6.187 -0.927 15.106 449 HA ASP 61 HA ASP 61 7.105 -3.502 15.486 450 1HB ASP 61 HB2 ASP 61 5.599 -2.355 17.055 451 2HB ASP 61 HB3 ASP 61 4.281 -2.488 15.895 452 H ASP 62 HN ASP 62 4.963 -2.273 13.056 453 HA ASP 62 HA ASP 62 3.837 -4.750 12.228 454 1HB ASP 62 HB2 ASP 62 4.152 -2.176 10.676 455 2HB ASP 62 HB3 ASP 62 3.079 -3.504 10.266 456 H PHE 63 HN PHE 63 6.997 -3.898 12.118 457 HA PHE 63 HA PHE 63 8.042 -4.072 9.677 458 1HB PHE 63 HB2 PHE 63 8.943 -4.814 12.288 459 2HB PHE 63 HB3 PHE 63 9.534 -5.994 11.123 460 HD1 PHE 63 HD1 PHE 63 9.080 -2.284 11.155 461 HD2 PHE 63 HD2 PHE 63 11.666 -5.586 10.437 462 HE1 PHE 63 HE1 PHE 63 10.869 -0.733 10.491 463 HE2 PHE 63 HE2 PHE 63 13.461 -4.041 9.775 464 HZ PHE 63 HZ PHE 63 13.065 -1.610 9.801 465 HA PRO 64 HA PRO 64 7.416 -8.746 9.119 466 1HB PRO 64 HB2 PRO 64 6.013 -9.998 11.236 467 2HB PRO 64 HB3 PRO 64 7.737 -10.110 10.882 468 1HG PRO 64 HG2 PRO 64 6.590 -8.891 13.126 469 2HG PRO 64 HG3 PRO 64 8.264 -8.713 12.581 470 1HD PRO 64 HD2 PRO 64 5.943 -6.885 12.212 471 2HD PRO 64 HD3 PRO 64 7.667 -6.503 12.405 472 H PHE 65 HN PHE 65 5.866 -7.515 7.752 473 HA PHE 65 HA PHE 65 3.073 -7.598 8.392 474 1HB PHE 65 HB2 PHE 65 4.747 -6.435 6.349 475 2HB PHE 65 HB3 PHE 65 3.339 -7.213 5.628 476 HD1 PHE 65 HD1 PHE 65 4.448 -4.572 7.944 477 HD2 PHE 65 HD2 PHE 65 1.180 -6.340 5.909 478 HE1 PHE 65 HE1 PHE 65 3.040 -2.648 8.544 479 HE2 PHE 65 HE2 PHE 65 -0.243 -4.431 6.492 480 HZ PHE 65 HZ PHE 65 0.686 -2.576 7.818 481 H LYS 66 HN LYS 66 1.497 -8.907 7.572 482 HA LYS 66 HA LYS 66 2.215 -11.566 6.894 483 1HB LYS 66 HB2 LYS 66 -0.438 -10.139 6.893 484 2HB LYS 66 HB3 LYS 66 -0.267 -11.835 6.487 485 1HG LYS 66 HG2 LYS 66 -0.969 -11.544 8.795 486 2HG LYS 66 HG3 LYS 66 0.622 -12.298 8.702 487 1HD LYS 66 HD2 LYS 66 1.685 -10.179 9.220 488 2HD LYS 66 HD3 LYS 66 0.119 -9.367 9.219 489 1HE LYS 66 HE2 LYS 66 0.867 -9.827 11.493 490 2HE LYS 66 HE3 LYS 66 -0.595 -10.736 11.111 491 1HZ LYS 66 HZ1 LYS 66 2.174 -11.814 11.074 492 2HZ LYS 66 HZ2 LYS 66 0.773 -12.689 10.704 493 3HZ LYS 66 HZ3 LYS 66 1.016 -12.106 12.273 494 H SER 67 HN SER 67 3.589 -10.729 5.070 495 HA SER 67 HA SER 67 4.048 -10.665 2.868 496 1HB SER 67 HB2 SER 67 1.345 -11.967 2.576 497 2HB SER 67 HB3 SER 67 2.619 -11.938 1.357 498 HG SER 67 HG SER 67 2.312 -13.789 3.064 499 H ALA 68 HN ALA 68 3.515 -9.708 0.794 500 HA ALA 68 HA ALA 68 2.692 -7.085 0.957 501 1HB ALA 68 HB1 ALA 68 2.214 -7.677 -1.664 502 2HB ALA 68 HB2 ALA 68 3.794 -7.295 -0.980 503 3HB ALA 68 HB3 ALA 68 3.305 -8.976 -1.184 504 H GLU 69 HN GLU 69 0.765 -9.944 0.413 505 HA GLU 69 HA GLU 69 -1.534 -8.768 -0.625 506 1HB GLU 69 HB2 GLU 69 -2.736 -10.727 0.323 507 2HB GLU 69 HB3 GLU 69 -1.308 -11.159 -0.609 508 1HG GLU 69 HG2 GLU 69 -0.069 -11.375 1.506 509 2HG GLU 69 HG3 GLU 69 -1.567 -11.051 2.371 510 H GLU 70 HN GLU 70 -0.637 -9.288 2.828 511 HA GLU 70 HA GLU 70 -3.056 -8.107 3.718 512 1HB GLU 70 HB2 GLU 70 -2.423 -8.598 5.829 513 2HB GLU 70 HB3 GLU 70 -1.278 -9.634 4.996 514 1HG GLU 70 HG2 GLU 70 0.505 -8.388 5.604 515 2HG GLU 70 HG3 GLU 70 -0.395 -6.875 5.518 516 H VAL 71 HN VAL 71 0.130 -6.872 3.007 517 HA VAL 71 HA VAL 71 -0.178 -4.318 4.167 518 HB VAL 71 HB VAL 71 1.427 -5.058 1.724 519 1HG1 VAL 71 HG11 VAL 71 2.530 -2.935 3.310 520 2HG1 VAL 71 HG12 VAL 71 2.094 -2.941 1.601 521 3HG1 VAL 71 HG13 VAL 71 0.887 -2.529 2.818 522 1HG2 VAL 71 HG21 VAL 71 2.633 -4.694 4.408 523 2HG2 VAL 71 HG22 VAL 71 1.756 -6.190 4.087 524 3HG2 VAL 71 HG23 VAL 71 3.118 -5.733 3.078 525 H ALA 72 HN ALA 72 -0.892 -5.499 0.894 526 HA ALA 72 HA ALA 72 -1.688 -3.092 -0.252 527 1HB ALA 72 HB1 ALA 72 -3.350 -5.123 -1.303 528 2HB ALA 72 HB2 ALA 72 -1.872 -4.457 -1.993 529 3HB ALA 72 HB3 ALA 72 -1.793 -5.859 -0.927 530 H ASP 73 HN ASP 73 -3.680 -5.534 1.411 531 HA ASP 73 HA ASP 73 -6.094 -4.052 1.202 532 1HB ASP 73 HB2 ASP 73 -5.331 -6.259 3.126 533 2HB ASP 73 HB3 ASP 73 -6.966 -5.657 2.870 534 H THR 74 HN THR 74 -3.601 -4.280 3.673 535 HA THR 74 HA THR 74 -4.935 -2.897 5.722 536 HB THR 74 HB THR 74 -1.968 -3.130 5.189 537 HG1 THR 74 HG1 THR 74 -2.234 -4.785 6.873 538 1HG2 THR 74 HG21 THR 74 -2.502 -1.283 6.733 539 2HG2 THR 74 HG22 THR 74 -1.656 -2.603 7.539 540 3HG2 THR 74 HG23 THR 74 -3.397 -2.412 7.750 541 H ILE 75 HN ILE 75 -2.553 -1.703 3.343 542 HA ILE 75 HA ILE 75 -2.537 0.959 4.188 543 HB ILE 75 HB ILE 75 -2.054 -0.153 1.422 544 1HG1 ILE 75 HG12 ILE 75 -0.138 0.569 3.649 545 2HG1 ILE 75 HG13 ILE 75 -0.567 -1.065 3.159 546 1HG2 ILE 75 HG21 ILE 75 -1.114 2.494 2.504 547 2HG2 ILE 75 HG22 ILE 75 -0.975 1.888 0.854 548 3HG2 ILE 75 HG23 ILE 75 -2.557 2.313 1.506 549 1HD1 ILE 75 HD11 ILE 75 0.996 0.977 1.615 550 2HD1 ILE 75 HD12 ILE 75 1.534 -0.595 2.205 551 3HD1 ILE 75 HD13 ILE 75 0.362 -0.500 0.890 552 H VAL 76 HN VAL 76 -4.418 -0.531 1.546 553 HA VAL 76 HA VAL 76 -5.811 1.773 0.802 554 HB VAL 76 HB VAL 76 -7.541 0.157 -0.110 555 1HG1 VAL 76 HG11 VAL 76 -6.119 0.728 -1.765 556 2HG1 VAL 76 HG12 VAL 76 -4.683 0.333 -0.819 557 3HG1 VAL 76 HG13 VAL 76 -5.609 -0.953 -1.595 558 1HG2 VAL 76 HG21 VAL 76 -6.133 -2.214 -0.124 559 2HG2 VAL 76 HG22 VAL 76 -5.974 -1.653 1.538 560 3HG2 VAL 76 HG23 VAL 76 -7.575 -1.867 0.834 561 H ASN 77 HN ASN 77 -6.594 -0.668 3.250 562 HA ASN 77 HA ASN 77 -9.200 0.215 3.821 563 1HB ASN 77 HB2 ASN 77 -7.168 -1.210 5.545 564 2HB ASN 77 HB3 ASN 77 -8.827 -0.913 6.050 565 1HD2 ASN 77 HD21 ASN 77 -8.941 -1.390 2.778 566 2HD2 ASN 77 HD22 ASN 77 -9.262 -3.084 2.759 567 H LYS 78 HN LYS 78 -6.183 0.897 5.595 568 HA LYS 78 HA LYS 78 -7.369 2.800 7.324 569 1HB LYS 78 HB2 LYS 78 -4.484 2.311 6.597 570 2HB LYS 78 HB3 LYS 78 -5.016 3.355 7.910 571 1HG LYS 78 HG2 LYS 78 -6.058 1.450 9.020 572 2HG LYS 78 HG3 LYS 78 -5.549 0.398 7.698 573 1HD LYS 78 HD2 LYS 78 -3.221 0.822 8.215 574 2HD LYS 78 HD3 LYS 78 -3.683 1.968 9.475 575 1HE LYS 78 HE2 LYS 78 -4.791 0.155 10.699 576 2HE LYS 78 HE3 LYS 78 -4.313 -0.983 9.441 577 1HZ LYS 78 HZ1 LYS 78 -2.738 0.187 11.577 578 2HZ LYS 78 HZ2 LYS 78 -1.958 0.088 10.079 579 3HZ LYS 78 HZ3 LYS 78 -2.576 -1.310 10.805 580 H ALA 79 HN ALA 79 -5.540 3.078 4.324 581 HA ALA 79 HA ALA 79 -5.257 5.888 4.378 582 1HB ALA 79 HB1 ALA 79 -5.353 4.251 1.866 583 2HB ALA 79 HB2 ALA 79 -4.438 5.724 2.187 584 3HB ALA 79 HB3 ALA 79 -3.976 4.211 2.966 585 H GLY 80 HN GLY 80 -7.882 3.822 3.280 586 1HA GLY 80 HA1 GLY 80 -9.923 5.563 3.436 587 2HA GLY 80 HA2 GLY 80 -9.185 6.025 1.907 588 H LEU 81 HN LEU 81 -8.578 3.845 0.648 589 HA LEU 81 HA LEU 81 -11.061 2.860 -0.257 590 1HB LEU 81 HB2 LEU 81 -8.317 1.737 -0.816 591 2HB LEU 81 HB3 LEU 81 -9.759 1.559 -1.805 592 HG LEU 81 HG LEU 81 -8.495 4.240 -1.243 593 1HD1 LEU 81 HD11 LEU 81 -6.804 2.992 -2.365 594 2HD1 LEU 81 HD12 LEU 81 -7.970 2.299 -3.491 595 3HD1 LEU 81 HD13 LEU 81 -7.578 4.017 -3.574 596 1HD2 LEU 81 HD21 LEU 81 -10.028 3.698 -3.700 597 2HD2 LEU 81 HD22 LEU 81 -10.955 3.675 -2.201 598 3HD2 LEU 81 HD23 LEU 81 -10.030 5.109 -2.643 Start of MODEL 15 1 1H GLY -3 HT1 GLY -3 -28.295 3.733 -10.099 2 2H GLY -3 HT2 GLY -3 -29.826 4.379 -10.414 3 3H GLY -3 HT3 GLY -3 -29.677 2.780 -9.880 4 1HA GLY -3 HA2 GLY -3 -28.867 5.147 -8.285 5 2HA GLY -3 HA1 GLY -3 -30.425 4.350 -8.130 6 H SER -2 HN SER -2 -27.177 2.982 -8.577 7 HA SER -2 HA SER -2 -26.745 2.207 -5.923 8 1HB SER -2 HB2 SER -2 -27.258 -0.206 -6.049 9 2HB SER -2 HB3 SER -2 -28.713 0.776 -6.224 10 HG SER -2 HG SER -2 -27.235 -0.472 -8.303 11 H HIS -1 HN HIS -1 -24.704 1.437 -5.678 12 HA HIS -1 HA HIS -1 -23.286 -0.045 -7.615 13 1HB HIS -1 HB2 HIS -1 -21.653 1.673 -8.314 14 2HB HIS -1 HB3 HIS -1 -23.281 2.040 -8.875 15 HD1 HIS -1 HD1 HIS -1 -24.581 3.664 -6.894 16 HD2 HIS -1 HD2 HIS -1 -20.464 3.909 -7.404 17 HE1 HIS -1 HE1 HIS -1 -23.915 5.889 -5.931 18 HE2 HIS -1 HE2 HIS -1 -21.409 5.979 -6.175 19 H MET 1 HN MET 1 -21.748 -1.114 -6.574 20 HA MET 1 HA MET 1 -21.154 -0.513 -3.841 21 1HB MET 1 HB2 MET 1 -21.329 -2.827 -4.758 22 2HB MET 1 HB3 MET 1 -19.842 -2.548 -5.652 23 1HG MET 1 HG2 MET 1 -18.654 -2.195 -3.535 24 2HG MET 1 HG3 MET 1 -20.145 -2.526 -2.659 25 1HE MET 1 HE1 MET 1 -18.735 -4.097 -1.294 26 2HE MET 1 HE2 MET 1 -18.260 -5.724 -1.780 27 3HE MET 1 HE3 MET 1 -17.263 -4.342 -2.233 28 H LYS 2 HN LYS 2 -19.114 -0.018 -2.939 29 HA LYS 2 HA LYS 2 -17.697 2.038 -4.101 30 1HB LYS 2 HB2 LYS 2 -17.599 1.491 -1.705 31 2HB LYS 2 HB3 LYS 2 -16.663 0.051 -2.077 32 1HG LYS 2 HG2 LYS 2 -14.869 1.447 -2.978 33 2HG LYS 2 HG3 LYS 2 -15.806 2.890 -2.595 34 1HD LYS 2 HD2 LYS 2 -14.257 2.659 -0.836 35 2HD LYS 2 HD3 LYS 2 -15.793 2.084 -0.187 36 1HE LYS 2 HE2 LYS 2 -13.663 0.279 -1.327 37 2HE LYS 2 HE3 LYS 2 -13.802 0.673 0.385 38 1HZ LYS 2 HZ1 LYS 2 -15.076 -1.150 0.431 39 2HZ LYS 2 HZ2 LYS 2 -15.390 -1.124 -1.230 40 3HZ LYS 2 HZ3 LYS 2 -16.288 -0.143 -0.184 41 H MET 3 HN MET 3 -17.371 -1.360 -4.648 42 HA MET 3 HA MET 3 -14.856 -1.874 -5.389 43 1HB MET 3 HB2 MET 3 -16.684 -3.472 -5.665 44 2HB MET 3 HB3 MET 3 -17.298 -2.555 -7.033 45 1HG MET 3 HG2 MET 3 -15.254 -3.038 -8.277 46 2HG MET 3 HG3 MET 3 -14.637 -3.956 -6.904 47 1HE MET 3 HE1 MET 3 -14.325 -5.076 -9.292 48 2HE MET 3 HE2 MET 3 -14.628 -6.673 -8.607 49 3HE MET 3 HE3 MET 3 -15.515 -6.144 -10.037 50 H GLY 4 HN GLY 4 -13.375 -1.223 -6.789 51 1HA GLY 4 HA1 GLY 4 -13.847 -0.201 -9.365 52 2HA GLY 4 HA2 GLY 4 -13.638 1.148 -8.257 53 H VAL 5 HN VAL 5 -11.643 1.930 -8.636 54 HA VAL 5 HA VAL 5 -9.477 0.246 -9.405 55 HB VAL 5 HB VAL 5 -9.781 2.764 -9.896 56 1HG1 VAL 5 HG11 VAL 5 -8.743 4.303 -8.416 57 2HG1 VAL 5 HG12 VAL 5 -9.821 3.321 -7.422 58 3HG1 VAL 5 HG13 VAL 5 -8.083 2.990 -7.428 59 1HG2 VAL 5 HG21 VAL 5 -7.940 1.612 -10.819 60 2HG2 VAL 5 HG22 VAL 5 -7.319 3.085 -10.080 61 3HG2 VAL 5 HG23 VAL 5 -7.127 1.543 -9.254 62 H LYS 6 HN LYS 6 -10.897 0.720 -6.401 63 HA LYS 6 HA LYS 6 -8.858 1.094 -4.617 64 1HB LYS 6 HB2 LYS 6 -11.082 0.753 -3.787 65 2HB LYS 6 HB3 LYS 6 -11.168 -0.853 -4.496 66 1HG LYS 6 HG2 LYS 6 -9.469 -1.635 -2.918 67 2HG LYS 6 HG3 LYS 6 -9.395 -0.025 -2.206 68 1HD LYS 6 HD2 LYS 6 -11.737 -0.189 -1.554 69 2HD LYS 6 HD3 LYS 6 -11.845 -1.782 -2.306 70 1HE LYS 6 HE2 LYS 6 -10.166 -2.631 -0.740 71 2HE LYS 6 HE3 LYS 6 -10.058 -1.040 0.009 72 1HZ LYS 6 HZ1 LYS 6 -12.106 -3.079 0.277 73 2HZ LYS 6 HZ2 LYS 6 -12.672 -1.488 0.184 74 3HZ LYS 6 HZ3 LYS 6 -11.573 -1.924 1.394 75 H GLU 7 HN GLU 7 -9.802 -1.959 -6.142 76 HA GLU 7 HA GLU 7 -7.457 -3.330 -5.184 77 1HB GLU 7 HB2 GLU 7 -9.620 -4.495 -5.537 78 2HB GLU 7 HB3 GLU 7 -9.503 -4.175 -7.259 79 1HG GLU 7 HG2 GLU 7 -7.462 -5.770 -5.733 80 2HG GLU 7 HG3 GLU 7 -8.863 -6.486 -6.525 81 H ASP 8 HN ASP 8 -8.381 -1.559 -8.078 82 HA ASP 8 HA ASP 8 -6.441 -2.599 -9.821 83 1HB ASP 8 HB2 ASP 8 -8.285 -1.446 -10.739 84 2HB ASP 8 HB3 ASP 8 -7.888 -0.004 -9.836 85 H ILE 9 HN ILE 9 -6.377 0.401 -7.927 86 HA ILE 9 HA ILE 9 -3.706 1.090 -8.567 87 HB ILE 9 HB ILE 9 -5.656 1.963 -6.448 88 1HG1 ILE 9 HG12 ILE 9 -4.155 3.447 -8.613 89 2HG1 ILE 9 HG13 ILE 9 -5.822 2.898 -8.712 90 1HG2 ILE 9 HG21 ILE 9 -3.661 3.713 -6.021 91 2HG2 ILE 9 HG22 ILE 9 -3.918 2.269 -5.042 92 3HG2 ILE 9 HG23 ILE 9 -2.721 2.255 -6.338 93 1HD1 ILE 9 HD11 ILE 9 -6.037 4.353 -6.512 94 2HD1 ILE 9 HD12 ILE 9 -4.659 5.181 -7.238 95 3HD1 ILE 9 HD13 ILE 9 -6.179 5.054 -8.125 96 H ARG 10 HN ARG 10 -5.274 -0.669 -5.944 97 HA ARG 10 HA ARG 10 -2.983 -1.159 -4.376 98 1HB ARG 10 HB2 ARG 10 -5.534 -1.634 -3.913 99 2HB ARG 10 HB3 ARG 10 -5.181 -3.192 -4.651 100 1HG ARG 10 HG2 ARG 10 -4.980 -3.435 -2.303 101 2HG ARG 10 HG3 ARG 10 -3.343 -3.454 -2.973 102 1HD ARG 10 HD2 ARG 10 -3.942 -0.769 -2.481 103 2HD ARG 10 HD3 ARG 10 -4.530 -1.655 -1.079 104 HE ARG 10 HE ARG 10 -1.989 -2.608 -1.596 105 1HH1 ARG 10 HH12 ARG 10 -3.391 0.492 -0.844 106 2HH1 ARG 10 HH11 ARG 10 -2.051 1.011 0.118 107 1HH2 ARG 10 HH22 ARG 10 -0.220 -1.928 -0.307 108 2HH2 ARG 10 HH21 ARG 10 -0.251 -0.353 0.407 109 H GLY 11 HN GLY 11 -4.173 -2.437 -7.357 110 1HA GLY 11 HA1 GLY 11 -2.721 -4.887 -7.398 111 2HA GLY 11 HA2 GLY 11 -3.318 -4.016 -8.812 112 H GLN 12 HN GLN 12 -2.072 -1.628 -8.532 113 HA GLN 12 HA GLN 12 0.500 -2.110 -9.595 114 1HB GLN 12 HB2 GLN 12 -0.647 0.435 -8.415 115 2HB GLN 12 HB3 GLN 12 0.775 0.332 -9.443 116 1HG GLN 12 HG2 GLN 12 -0.650 -0.540 -11.259 117 2HG GLN 12 HG3 GLN 12 -2.053 -0.321 -10.220 118 1HE2 GLN 12 HE21 GLN 12 0.029 2.153 -9.516 119 2HE2 GLN 12 HE22 GLN 12 -0.601 3.354 -10.581 120 H ILE 13 HN ILE 13 -0.748 -1.629 -6.402 121 HA ILE 13 HA ILE 13 1.724 -0.977 -5.136 122 HB ILE 13 HB ILE 13 -0.917 -1.890 -4.011 123 1HG1 ILE 13 HG12 ILE 13 0.414 0.822 -4.163 124 2HG1 ILE 13 HG13 ILE 13 -0.964 0.289 -5.121 125 1HG2 ILE 13 HG21 ILE 13 0.545 -0.538 -2.038 126 2HG2 ILE 13 HG22 ILE 13 0.094 -2.245 -2.069 127 3HG2 ILE 13 HG23 ILE 13 1.646 -1.728 -2.732 128 1HD1 ILE 13 HD11 ILE 13 -0.864 0.828 -2.171 129 2HD1 ILE 13 HD12 ILE 13 -1.807 1.665 -3.405 130 3HD1 ILE 13 HD13 ILE 13 -2.210 0.007 -2.959 131 H ILE 14 HN ILE 14 -0.238 -3.960 -5.337 132 HA ILE 14 HA ILE 14 1.388 -5.564 -3.735 133 HB ILE 14 HB ILE 14 -0.529 -6.149 -5.954 134 1HG1 ILE 14 HG12 ILE 14 -1.382 -5.697 -3.704 135 2HG1 ILE 14 HG13 ILE 14 -1.694 -7.371 -4.151 136 1HG2 ILE 14 HG21 ILE 14 1.302 -8.184 -4.688 137 2HG2 ILE 14 HG22 ILE 14 -0.172 -8.595 -5.562 138 3HG2 ILE 14 HG23 ILE 14 1.154 -7.791 -6.400 139 1HD1 ILE 14 HD11 ILE 14 0.223 -6.275 -2.153 140 2HD1 ILE 14 HD12 ILE 14 -0.966 -7.567 -1.986 141 3HD1 ILE 14 HD13 ILE 14 0.517 -7.848 -2.896 142 H GLY 15 HN GLY 15 1.474 -5.143 -7.280 143 1HA GLY 15 HA1 GLY 15 3.781 -6.732 -7.692 144 2HA GLY 15 HA2 GLY 15 3.179 -5.493 -8.791 145 H ALA 16 HN ALA 16 3.277 -3.350 -6.953 146 HA ALA 16 HA ALA 16 5.897 -2.411 -7.328 147 1HB ALA 16 HB1 ALA 16 4.420 -0.678 -7.142 148 2HB ALA 16 HB2 ALA 16 3.473 -1.471 -5.880 149 3HB ALA 16 HB3 ALA 16 5.018 -0.715 -5.484 150 H LEU 17 HN LEU 17 4.400 -4.204 -4.770 151 HA LEU 17 HA LEU 17 6.441 -3.690 -2.809 152 1HB LEU 17 HB2 LEU 17 4.082 -5.559 -2.944 153 2HB LEU 17 HB3 LEU 17 5.216 -5.584 -1.611 154 HG LEU 17 HG LEU 17 3.758 -3.066 -2.376 155 1HD1 LEU 17 HD11 LEU 17 1.873 -3.654 -1.308 156 2HD1 LEU 17 HD12 LEU 17 2.394 -5.297 -1.676 157 3HD1 LEU 17 HD13 LEU 17 2.729 -4.599 -0.092 158 1HD2 LEU 17 HD21 LEU 17 4.427 -3.644 0.421 159 2HD2 LEU 17 HD22 LEU 17 5.822 -3.511 -0.650 160 3HD2 LEU 17 HD23 LEU 17 4.674 -2.181 -0.532 161 H ALA 18 HN ALA 18 5.717 -6.030 -5.259 162 HA ALA 18 HA ALA 18 7.269 -8.194 -4.446 163 1HB ALA 18 HB1 ALA 18 6.863 -9.052 -6.496 164 2HB ALA 18 HB2 ALA 18 5.733 -7.700 -6.597 165 3HB ALA 18 HB3 ALA 18 7.333 -7.569 -7.329 166 H GLY 19 HN GLY 19 9.408 -8.629 -4.389 167 1HA GLY 19 HA1 GLY 19 11.617 -8.336 -5.413 168 2HA GLY 19 HA2 GLY 19 11.228 -6.631 -5.586 169 H ALA 20 HN ALA 20 10.046 -6.387 -2.945 170 HA ALA 20 HA ALA 20 12.196 -5.503 -1.454 171 1HB ALA 20 HB1 ALA 20 9.600 -5.254 -1.134 172 2HB ALA 20 HB2 ALA 20 9.830 -6.597 -0.015 173 3HB ALA 20 HB3 ALA 20 10.703 -5.084 0.232 174 H ASP 21 HN ASP 21 12.453 -6.412 0.946 175 HA ASP 21 HA ASP 21 13.967 -8.786 0.760 176 1HB ASP 21 HB2 ASP 21 12.885 -7.157 3.056 177 2HB ASP 21 HB3 ASP 21 13.792 -8.645 3.345 178 H PHE 22 HN PHE 22 12.111 -9.357 3.515 179 HA PHE 22 HA PHE 22 10.944 -11.687 2.430 180 1HB PHE 22 HB2 PHE 22 9.912 -12.019 4.534 181 2HB PHE 22 HB3 PHE 22 11.382 -11.155 4.923 182 HD1 PHE 22 HD1 PHE 22 11.045 -9.855 6.771 183 HD2 PHE 22 HD2 PHE 22 7.987 -9.994 3.830 184 HE1 PHE 22 HE1 PHE 22 9.738 -8.191 8.024 185 HE2 PHE 22 HE2 PHE 22 6.696 -8.305 5.033 186 HZ PHE 22 HZ PHE 22 7.564 -7.431 7.160 187 HA PRO 23 HA PRO 23 7.248 -10.192 0.588 188 1HB PRO 23 HB2 PRO 23 5.089 -11.173 1.905 189 2HB PRO 23 HB3 PRO 23 6.104 -12.159 0.855 190 1HG PRO 23 HG2 PRO 23 6.165 -11.900 3.842 191 2HG PRO 23 HG3 PRO 23 6.236 -13.368 2.845 192 1HD PRO 23 HD2 PRO 23 8.446 -12.273 3.898 193 2HD PRO 23 HD3 PRO 23 8.471 -13.038 2.297 194 H ILE 24 HN ILE 24 8.207 -8.126 1.837 195 HA ILE 24 HA ILE 24 7.224 -6.000 2.125 196 HB ILE 24 HB ILE 24 5.196 -7.422 3.821 197 1HG1 ILE 24 HG12 ILE 24 4.827 -7.843 1.484 198 2HG1 ILE 24 HG13 ILE 24 3.664 -6.618 1.986 199 1HG2 ILE 24 HG21 ILE 24 4.400 -4.788 3.166 200 2HG2 ILE 24 HG22 ILE 24 4.712 -5.477 4.757 201 3HG2 ILE 24 HG23 ILE 24 6.016 -4.709 3.862 202 1HD1 ILE 24 HD11 ILE 24 4.372 -5.609 0.117 203 2HD1 ILE 24 HD12 ILE 24 5.673 -5.046 1.167 204 3HD1 ILE 24 HD13 ILE 24 5.926 -6.443 0.122 205 H ASN 25 HN ASN 25 9.492 -6.407 3.169 206 HA ASN 25 HA ASN 25 9.763 -6.565 5.974 207 1HB ASN 25 HB2 ASN 25 11.453 -5.689 3.708 208 2HB ASN 25 HB3 ASN 25 11.914 -5.117 5.313 209 1HD2 ASN 25 HD21 ASN 25 13.373 -6.295 6.233 210 2HD2 ASN 25 HD22 ASN 25 13.542 -8.013 6.111 211 H SER 26 HN SER 26 7.774 -5.025 6.296 212 HA SER 26 HA SER 26 6.983 -3.032 7.066 213 1HB SER 26 HB2 SER 26 8.463 -1.669 8.379 214 2HB SER 26 HB3 SER 26 8.965 -3.339 8.613 215 HG SER 26 HG SER 26 10.321 -1.251 7.497 216 HA PRO 27 HA PRO 27 6.875 -0.246 3.737 217 1HB PRO 27 HB2 PRO 27 7.214 1.994 5.672 218 2HB PRO 27 HB3 PRO 27 5.989 1.776 4.415 219 1HG PRO 27 HG2 PRO 27 5.411 1.336 6.992 220 2HG PRO 27 HG3 PRO 27 4.728 0.318 5.710 221 1HD PRO 27 HD2 PRO 27 6.904 -0.286 7.648 222 2HD PRO 27 HD3 PRO 27 5.705 -1.371 6.910 223 H GLU 28 HN GLU 28 9.421 0.291 6.103 224 HA GLU 28 HA GLU 28 11.057 1.988 4.643 225 1HB GLU 28 HB2 GLU 28 11.962 -0.341 6.354 226 2HB GLU 28 HB3 GLU 28 12.918 1.074 5.928 227 1HG GLU 28 HG2 GLU 28 11.383 2.499 7.181 228 2HG GLU 28 HG3 GLU 28 10.417 1.086 7.605 229 H GLU 29 HN GLU 29 11.205 -1.567 4.728 230 HA GLU 29 HA GLU 29 13.013 -1.746 2.531 231 1HB GLU 29 HB2 GLU 29 12.793 -3.364 4.415 232 2HB GLU 29 HB3 GLU 29 11.250 -3.849 3.689 233 1HG GLU 29 HG2 GLU 29 13.061 -5.370 3.059 234 2HG GLU 29 HG3 GLU 29 12.404 -4.525 1.659 235 H LEU 30 HN LEU 30 9.633 -2.886 2.902 236 HA LEU 30 HA LEU 30 9.236 -3.743 0.323 237 1HB LEU 30 HB2 LEU 30 6.898 -3.568 0.724 238 2HB LEU 30 HB3 LEU 30 7.641 -3.958 2.263 239 HG LEU 30 HG LEU 30 7.596 -1.366 2.607 240 1HD1 LEU 30 HD11 LEU 30 6.401 -0.110 1.220 241 2HD1 LEU 30 HD12 LEU 30 6.416 -1.482 0.113 242 3HD1 LEU 30 HD13 LEU 30 5.058 -1.258 1.220 243 1HD2 LEU 30 HD21 LEU 30 5.354 -1.557 3.619 244 2HD2 LEU 30 HD22 LEU 30 5.150 -3.104 2.804 245 3HD2 LEU 30 HD23 LEU 30 6.409 -2.911 4.023 246 H MET 31 HN MET 31 8.909 -0.473 1.629 247 HA MET 31 HA MET 31 8.094 0.743 -0.802 248 1HB MET 31 HB2 MET 31 7.858 1.788 1.471 249 2HB MET 31 HB3 MET 31 9.598 2.039 1.476 250 1HG MET 31 HG2 MET 31 9.367 3.421 -0.553 251 2HG MET 31 HG3 MET 31 7.617 3.237 -0.438 252 1HE MET 31 HE1 MET 31 7.285 3.185 2.687 253 2HE MET 31 HE2 MET 31 7.043 4.868 3.155 254 3HE MET 31 HE3 MET 31 6.187 4.209 1.761 255 H ALA 32 HN ALA 32 11.159 -0.183 0.651 256 HA ALA 32 HA ALA 32 12.827 1.331 -1.097 257 1HB ALA 32 HB1 ALA 32 14.442 0.532 0.211 258 2HB ALA 32 HB2 ALA 32 13.198 -0.343 1.104 259 3HB ALA 32 HB3 ALA 32 14.051 -1.133 -0.222 260 H ALA 33 HN ALA 33 11.213 -1.747 -1.329 261 HA ALA 33 HA ALA 33 12.664 -2.791 -3.524 262 1HB ALA 33 HB1 ALA 33 9.832 -3.552 -3.050 263 2HB ALA 33 HB2 ALA 33 11.230 -4.560 -3.426 264 3HB ALA 33 HB3 ALA 33 11.029 -3.901 -1.801 265 H LEU 34 HN LEU 34 9.705 -0.870 -3.275 266 HA LEU 34 HA LEU 34 8.471 -1.005 -5.598 267 1HB LEU 34 HB2 LEU 34 9.271 1.434 -4.081 268 2HB LEU 34 HB3 LEU 34 8.427 1.615 -5.609 269 HG LEU 34 HG LEU 34 6.531 0.356 -4.775 270 1HD1 LEU 34 HD11 LEU 34 6.523 -0.251 -2.310 271 2HD1 LEU 34 HD12 LEU 34 7.474 -1.278 -3.382 272 3HD1 LEU 34 HD13 LEU 34 8.274 -0.073 -2.378 273 1HD2 LEU 34 HD21 LEU 34 6.518 2.730 -4.301 274 2HD2 LEU 34 HD22 LEU 34 5.784 1.844 -2.968 275 3HD2 LEU 34 HD23 LEU 34 7.427 2.460 -2.814 276 HA PRO 35 HA PRO 35 11.029 -0.961 -9.137 277 1HB PRO 35 HB2 PRO 35 8.868 0.781 -10.239 278 2HB PRO 35 HB3 PRO 35 9.634 -0.646 -10.943 279 1HG PRO 35 HG2 PRO 35 7.230 -0.825 -9.825 280 2HG PRO 35 HG3 PRO 35 8.428 -2.115 -9.612 281 1HD PRO 35 HD2 PRO 35 7.509 -0.044 -7.689 282 2HD PRO 35 HD3 PRO 35 8.066 -1.701 -7.388 283 H ASN 36 HN ASN 36 9.538 2.278 -8.629 284 HA ASN 36 HA ASN 36 11.637 3.560 -10.048 285 1HB ASN 36 HB2 ASN 36 10.589 5.622 -9.533 286 2HB ASN 36 HB3 ASN 36 9.298 4.457 -9.783 287 1HD2 ASN 36 HD21 ASN 36 9.880 3.293 -7.055 288 2HD2 ASN 36 HD22 ASN 36 9.202 4.412 -5.945 289 H GLY 37 HN GLY 37 11.293 2.708 -6.690 290 1HA GLY 37 HA1 GLY 37 13.251 2.618 -5.302 291 2HA GLY 37 HA2 GLY 37 13.890 3.997 -6.187 292 HA PRO 38 HA PRO 38 12.074 6.662 -3.143 293 1HB PRO 38 HB2 PRO 38 11.247 8.833 -4.469 294 2HB PRO 38 HB3 PRO 38 12.958 8.391 -4.400 295 1HG PRO 38 HG2 PRO 38 10.986 8.008 -6.607 296 2HG PRO 38 HG3 PRO 38 12.697 8.470 -6.694 297 1HD PRO 38 HD2 PRO 38 11.709 5.916 -7.118 298 2HD PRO 38 HD3 PRO 38 13.389 6.293 -6.702 299 H ASP 39 HN ASP 39 10.273 4.678 -3.578 300 HA ASP 39 HA ASP 39 8.151 4.034 -3.446 301 1HB ASP 39 HB2 ASP 39 6.697 5.443 -2.061 302 2HB ASP 39 HB3 ASP 39 8.275 5.194 -1.353 303 H THR 40 HN THR 40 7.540 3.792 -5.505 304 HA THR 40 HA THR 40 6.694 5.913 -7.200 305 HB THR 40 HB THR 40 7.478 3.837 -8.184 306 HG1 THR 40 HG1 THR 40 6.139 4.440 -9.705 307 1HG2 THR 40 HG21 THR 40 5.074 2.553 -6.883 308 2HG2 THR 40 HG22 THR 40 6.762 2.272 -6.458 309 3HG2 THR 40 HG23 THR 40 6.154 1.768 -8.033 310 H THR 41 HN THR 41 4.781 6.919 -7.289 311 HA THR 41 HA THR 41 2.694 6.108 -5.457 312 HB THR 41 HB THR 41 2.563 8.407 -7.407 313 HG1 THR 41 HG1 THR 41 4.450 8.650 -6.151 314 1HG2 THR 41 HG21 THR 41 0.464 8.192 -6.468 315 2HG2 THR 41 HG22 THR 41 1.240 9.292 -5.329 316 3HG2 THR 41 HG23 THR 41 1.095 7.577 -4.940 317 H CYS 42 HN CYS 42 0.967 4.929 -5.960 318 HA CYS 42 HA CYS 42 0.463 4.274 -8.760 319 1HB CYS 42 HB2 CYS 42 -0.788 3.136 -6.246 320 2HB CYS 42 HB3 CYS 42 -1.020 2.524 -7.883 321 HG CYS 42 HG CYS 42 1.375 1.850 -5.711 322 H LYS 43 HN LYS 43 -0.120 6.874 -8.238 323 HA LYS 43 HA LYS 43 -2.851 7.267 -7.492 324 1HB LYS 43 HB2 LYS 43 -2.479 9.590 -8.218 325 2HB LYS 43 HB3 LYS 43 -1.206 9.030 -7.139 326 1HG LYS 43 HG2 LYS 43 0.256 8.651 -9.060 327 2HG LYS 43 HG3 LYS 43 -1.021 9.212 -10.142 328 1HD LYS 43 HD2 LYS 43 -0.981 11.403 -9.050 329 2HD LYS 43 HD3 LYS 43 0.295 10.841 -7.968 330 1HE LYS 43 HE2 LYS 43 1.216 12.159 -9.800 331 2HE LYS 43 HE3 LYS 43 1.770 10.487 -9.880 332 1HZ LYS 43 HZ1 LYS 43 0.091 10.057 -11.572 333 2HZ LYS 43 HZ2 LYS 43 1.133 11.298 -12.057 334 3HZ LYS 43 HZ3 LYS 43 -0.421 11.668 -11.501 335 H SER 44 HN SER 44 -4.608 7.745 -8.786 336 HA SER 44 HA SER 44 -4.282 7.437 -11.685 337 1HB SER 44 HB2 SER 44 -6.313 5.955 -9.995 338 2HB SER 44 HB3 SER 44 -6.256 5.945 -11.759 339 HG SER 44 HG SER 44 -4.345 4.844 -11.690 340 H GLY 45 HN GLY 45 -5.350 8.959 -12.788 341 1HA GLY 45 HA1 GLY 45 -6.898 10.574 -13.328 342 2HA GLY 45 HA2 GLY 45 -7.919 9.938 -12.049 343 H ASP 46 HN ASP 46 -6.536 10.387 -9.782 344 HA ASP 46 HA ASP 46 -5.318 12.939 -9.609 345 1HB ASP 46 HB2 ASP 46 -7.612 13.706 -10.049 346 2HB ASP 46 HB3 ASP 46 -8.196 12.753 -8.689 347 H VAL 47 HN VAL 47 -7.199 10.442 -7.969 348 HA VAL 47 HA VAL 47 -6.216 10.932 -5.361 349 HB VAL 47 HB VAL 47 -7.221 8.308 -6.477 350 1HG1 VAL 47 HG11 VAL 47 -7.192 7.500 -4.391 351 2HG1 VAL 47 HG12 VAL 47 -6.099 8.835 -4.028 352 3HG1 VAL 47 HG13 VAL 47 -7.824 8.996 -3.705 353 1HG2 VAL 47 HG21 VAL 47 -8.730 10.658 -5.343 354 2HG2 VAL 47 HG22 VAL 47 -8.881 9.953 -6.953 355 3HG2 VAL 47 HG23 VAL 47 -9.423 9.048 -5.540 356 H GLU 48 HN GLU 48 -4.404 10.243 -4.333 357 HA GLU 48 HA GLU 48 -2.574 8.508 -5.863 358 1HB GLU 48 HB2 GLU 48 -1.702 10.538 -3.814 359 2HB GLU 48 HB3 GLU 48 -0.718 9.705 -5.008 360 1HG GLU 48 HG2 GLU 48 -1.821 10.939 -6.796 361 2HG GLU 48 HG3 GLU 48 -2.822 11.770 -5.608 362 H LEU 49 HN LEU 49 -1.735 6.748 -4.878 363 HA LEU 49 HA LEU 49 -2.004 6.469 -1.978 364 1HB LEU 49 HB2 LEU 49 -3.078 4.501 -3.995 365 2HB LEU 49 HB3 LEU 49 -2.823 4.113 -2.306 366 HG LEU 49 HG LEU 49 -5.143 4.567 -2.630 367 1HD1 LEU 49 HD11 LEU 49 -3.765 6.872 -1.269 368 2HD1 LEU 49 HD12 LEU 49 -5.480 6.497 -1.122 369 3HD1 LEU 49 HD13 LEU 49 -4.274 5.351 -0.537 370 1HD2 LEU 49 HD21 LEU 49 -4.279 6.368 -4.572 371 2HD2 LEU 49 HD22 LEU 49 -5.941 6.028 -4.093 372 3HD2 LEU 49 HD23 LEU 49 -5.061 7.356 -3.339 373 H LYS 50 HN LYS 50 -0.257 5.629 -1.082 374 HA LYS 50 HA LYS 50 1.301 3.568 -2.231 375 1HB LYS 50 HB2 LYS 50 3.418 4.858 -2.476 376 2HB LYS 50 HB3 LYS 50 2.195 5.266 -3.669 377 1HG LYS 50 HG2 LYS 50 1.629 7.277 -2.426 378 2HG LYS 50 HG3 LYS 50 2.823 6.858 -1.195 379 1HD LYS 50 HD2 LYS 50 4.618 7.099 -2.750 380 2HD LYS 50 HD3 LYS 50 3.496 7.263 -4.100 381 1HE LYS 50 HE2 LYS 50 4.366 9.435 -3.495 382 2HE LYS 50 HE3 LYS 50 2.648 9.348 -3.111 383 1HZ LYS 50 HZ1 LYS 50 4.943 9.259 -1.249 384 2HZ LYS 50 HZ2 LYS 50 3.401 8.741 -0.786 385 3HZ LYS 50 HZ3 LYS 50 3.644 10.344 -1.265 386 H ALA 51 HN ALA 51 3.081 2.927 -0.870 387 HA ALA 51 HA ALA 51 2.474 2.734 1.783 388 1HB ALA 51 HB1 ALA 51 4.084 1.272 0.830 389 2HB ALA 51 HB2 ALA 51 5.168 2.609 0.447 390 3HB ALA 51 HB3 ALA 51 4.889 2.154 2.129 391 H SER 52 HN SER 52 4.405 5.273 0.253 392 HA SER 52 HA SER 52 5.361 6.430 2.630 393 1HB SER 52 HB2 SER 52 6.380 6.954 0.510 394 2HB SER 52 HB3 SER 52 4.881 7.668 -0.084 395 HG SER 52 HG SER 52 6.256 8.622 2.202 396 H ASP 53 HN ASP 53 2.552 7.386 0.616 397 HA ASP 53 HA ASP 53 1.715 9.392 2.458 398 1HB ASP 53 HB2 ASP 53 0.238 8.059 0.185 399 2HB ASP 53 HB3 ASP 53 -0.374 9.437 1.094 400 H ALA 54 HN ALA 54 0.420 6.158 1.695 401 HA ALA 54 HA ALA 54 -1.391 6.334 3.962 402 1HB ALA 54 HB1 ALA 54 -1.065 4.193 1.874 403 2HB ALA 54 HB2 ALA 54 -2.317 4.232 3.115 404 3HB ALA 54 HB3 ALA 54 -2.265 5.485 1.875 405 H GLY 55 HN GLY 55 1.252 4.191 2.879 406 1HA GLY 55 HA1 GLY 55 1.262 2.295 4.836 407 2HA GLY 55 HA2 GLY 55 2.738 2.941 4.143 408 H GLN 56 HN GLN 56 2.181 5.641 5.233 409 HA GLN 56 HA GLN 56 3.703 5.661 7.498 410 1HB GLN 56 HB2 GLN 56 2.576 7.815 8.070 411 2HB GLN 56 HB3 GLN 56 3.128 7.720 6.402 412 1HG GLN 56 HG2 GLN 56 0.842 7.173 5.702 413 2HG GLN 56 HG3 GLN 56 0.309 7.315 7.377 414 1HE2 GLN 56 HE21 GLN 56 -0.646 9.158 7.803 415 2HE2 GLN 56 HE22 GLN 56 -0.290 10.688 7.085 416 H VAL 57 HN VAL 57 0.319 4.910 7.222 417 HA VAL 57 HA VAL 57 -0.278 5.053 10.008 418 HB VAL 57 HB VAL 57 -2.405 3.986 9.391 419 1HG1 VAL 57 HG11 VAL 57 -2.786 6.180 9.074 420 2HG1 VAL 57 HG12 VAL 57 -1.303 6.404 8.141 421 3HG1 VAL 57 HG13 VAL 57 -2.753 5.769 7.359 422 1HG2 VAL 57 HG21 VAL 57 -0.862 3.158 7.089 423 2HG2 VAL 57 HG22 VAL 57 -2.422 2.573 7.666 424 3HG2 VAL 57 HG23 VAL 57 -2.347 3.977 6.603 425 H LEU 58 HN LEU 58 2.003 3.283 9.259 426 HA LEU 58 HA LEU 58 1.030 0.863 10.609 427 1HB LEU 58 HB2 LEU 58 3.080 0.858 8.390 428 2HB LEU 58 HB3 LEU 58 2.392 -0.541 9.200 429 HG LEU 58 HG LEU 58 0.831 1.367 7.451 430 1HD1 LEU 58 HD11 LEU 58 2.487 -0.952 6.820 431 2HD1 LEU 58 HD12 LEU 58 0.841 -1.062 6.196 432 3HD1 LEU 58 HD13 LEU 58 1.856 0.316 5.770 433 1HD2 LEU 58 HD21 LEU 58 -0.840 0.462 8.678 434 2HD2 LEU 58 HD22 LEU 58 -0.634 -0.876 7.549 435 3HD2 LEU 58 HD23 LEU 58 0.113 -0.945 9.146 436 H THR 59 HN THR 59 2.035 0.724 12.501 437 HA THR 59 HA THR 59 4.387 2.214 13.113 438 HB THR 59 HB THR 59 4.273 1.134 15.323 439 HG1 THR 59 HG1 THR 59 2.503 -0.331 15.686 440 1HG2 THR 59 HG21 THR 59 1.428 1.734 14.881 441 2HG2 THR 59 HG22 THR 59 2.545 2.962 14.285 442 3HG2 THR 59 HG23 THR 59 2.587 2.479 15.981 443 H ALA 60 HN ALA 60 6.393 1.372 13.913 444 HA ALA 60 HA ALA 60 7.742 -0.342 12.249 445 1HB ALA 60 HB1 ALA 60 8.747 1.196 13.949 446 2HB ALA 60 HB2 ALA 60 8.381 -0.016 15.177 447 3HB ALA 60 HB3 ALA 60 9.498 -0.398 13.865 448 H ASP 61 HN ASP 61 5.912 -1.143 15.156 449 HA ASP 61 HA ASP 61 6.681 -3.764 15.576 450 1HB ASP 61 HB2 ASP 61 3.891 -2.610 15.808 451 2HB ASP 61 HB3 ASP 61 4.435 -4.115 16.543 452 H ASP 62 HN ASP 62 4.725 -2.396 13.061 453 HA ASP 62 HA ASP 62 3.589 -4.820 12.085 454 1HB ASP 62 HB2 ASP 62 4.040 -2.201 10.640 455 2HB ASP 62 HB3 ASP 62 2.953 -3.487 10.142 456 H PHE 63 HN PHE 63 6.745 -4.019 12.217 457 HA PHE 63 HA PHE 63 7.960 -4.112 9.842 458 1HB PHE 63 HB2 PHE 63 8.851 -4.456 12.347 459 2HB PHE 63 HB3 PHE 63 9.019 -6.108 11.764 460 HD1 PHE 63 HD1 PHE 63 9.832 -2.616 10.742 461 HD2 PHE 63 HD2 PHE 63 10.960 -6.720 10.721 462 HE1 PHE 63 HE1 PHE 63 11.948 -2.023 9.639 463 HE2 PHE 63 HE2 PHE 63 13.083 -6.132 9.623 464 HZ PHE 63 HZ PHE 63 13.594 -3.761 9.120 465 HA PRO 64 HA PRO 64 7.301 -8.768 9.141 466 1HB PRO 64 HB2 PRO 64 6.118 -10.309 10.962 467 2HB PRO 64 HB3 PRO 64 7.789 -9.777 11.180 468 1HG PRO 64 HG2 PRO 64 5.296 -8.777 12.476 469 2HG PRO 64 HG3 PRO 64 6.918 -8.970 13.161 470 1HD PRO 64 HD2 PRO 64 5.804 -6.584 12.197 471 2HD PRO 64 HD3 PRO 64 7.519 -6.872 12.540 472 H PHE 65 HN PHE 65 5.743 -7.517 7.755 473 HA PHE 65 HA PHE 65 2.949 -7.657 8.375 474 1HB PHE 65 HB2 PHE 65 4.610 -6.417 6.363 475 2HB PHE 65 HB3 PHE 65 3.220 -7.206 5.622 476 HD1 PHE 65 HD1 PHE 65 4.338 -4.429 7.697 477 HD2 PHE 65 HD2 PHE 65 0.961 -6.548 6.226 478 HE1 PHE 65 HE1 PHE 65 2.883 -2.549 8.324 479 HE2 PHE 65 HE2 PHE 65 -0.501 -4.678 6.839 480 HZ PHE 65 HZ PHE 65 0.460 -2.667 7.893 481 H LYS 66 HN LYS 66 1.418 -9.017 7.608 482 HA LYS 66 HA LYS 66 2.173 -11.643 6.883 483 1HB LYS 66 HB2 LYS 66 0.089 -11.054 8.127 484 2HB LYS 66 HB3 LYS 66 -0.557 -10.384 6.637 485 1HG LYS 66 HG2 LYS 66 -1.423 -12.611 7.029 486 2HG LYS 66 HG3 LYS 66 -0.425 -12.568 5.575 487 1HD LYS 66 HD2 LYS 66 1.454 -13.499 6.835 488 2HD LYS 66 HD3 LYS 66 0.461 -13.534 8.294 489 1HE LYS 66 HE2 LYS 66 0.564 -15.737 7.253 490 2HE LYS 66 HE3 LYS 66 -1.078 -15.094 7.215 491 1HZ LYS 66 HZ1 LYS 66 -1.064 -14.948 4.983 492 2HZ LYS 66 HZ2 LYS 66 0.128 -16.142 5.098 493 3HZ LYS 66 HZ3 LYS 66 0.571 -14.523 4.891 494 H SER 67 HN SER 67 3.527 -10.872 5.045 495 HA SER 67 HA SER 67 3.965 -10.765 2.839 496 1HB SER 67 HB2 SER 67 1.272 -12.094 2.572 497 2HB SER 67 HB3 SER 67 2.528 -12.046 1.335 498 HG SER 67 HG SER 67 2.472 -13.456 3.764 499 H ALA 68 HN ALA 68 3.375 -9.817 0.765 500 HA ALA 68 HA ALA 68 2.544 -7.200 0.953 501 1HB ALA 68 HB1 ALA 68 2.156 -7.490 -1.600 502 2HB ALA 68 HB2 ALA 68 3.777 -7.668 -0.932 503 3HB ALA 68 HB3 ALA 68 2.823 -9.098 -1.327 504 H GLU 69 HN GLU 69 0.597 -10.049 0.466 505 HA GLU 69 HA GLU 69 -1.708 -8.876 -0.556 506 1HB GLU 69 HB2 GLU 69 -2.906 -10.813 0.451 507 2HB GLU 69 HB3 GLU 69 -1.499 -11.265 -0.501 508 1HG GLU 69 HG2 GLU 69 -0.217 -11.452 1.590 509 2HG GLU 69 HG3 GLU 69 -1.697 -11.110 2.480 510 H GLU 70 HN GLU 70 -0.803 -9.356 2.910 511 HA GLU 70 HA GLU 70 -3.206 -8.088 3.755 512 1HB GLU 70 HB2 GLU 70 -2.682 -8.721 5.844 513 2HB GLU 70 HB3 GLU 70 -1.465 -9.700 5.045 514 1HG GLU 70 HG2 GLU 70 0.261 -8.308 5.670 515 2HG GLU 70 HG3 GLU 70 -0.802 -6.916 5.878 516 H VAL 71 HN VAL 71 0.071 -7.010 3.221 517 HA VAL 71 HA VAL 71 -0.142 -4.460 4.380 518 HB VAL 71 HB VAL 71 1.481 -5.216 1.962 519 1HG1 VAL 71 HG11 VAL 71 2.959 -3.410 3.303 520 2HG1 VAL 71 HG12 VAL 71 1.842 -2.986 2.005 521 3HG1 VAL 71 HG13 VAL 71 1.338 -2.831 3.690 522 1HG2 VAL 71 HG21 VAL 71 2.782 -5.134 4.575 523 2HG2 VAL 71 HG22 VAL 71 1.583 -6.413 4.408 524 3HG2 VAL 71 HG23 VAL 71 2.923 -6.312 3.280 525 H ALA 72 HN ALA 72 -1.132 -5.701 1.254 526 HA ALA 72 HA ALA 72 -1.653 -3.193 0.060 527 1HB ALA 72 HB1 ALA 72 -2.174 -6.012 -0.590 528 2HB ALA 72 HB2 ALA 72 -3.288 -4.847 -1.307 529 3HB ALA 72 HB3 ALA 72 -1.554 -4.707 -1.601 530 H ASP 73 HN ASP 73 -3.889 -5.631 1.411 531 HA ASP 73 HA ASP 73 -6.190 -4.001 1.199 532 1HB ASP 73 HB2 ASP 73 -5.671 -6.374 3.003 533 2HB ASP 73 HB3 ASP 73 -7.253 -5.670 2.679 534 H THR 74 HN THR 74 -3.836 -4.458 3.746 535 HA THR 74 HA THR 74 -5.219 -3.241 5.858 536 HB THR 74 HB THR 74 -2.248 -3.459 5.346 537 HG1 THR 74 HG1 THR 74 -2.550 -5.433 6.015 538 1HG2 THR 74 HG21 THR 74 -3.650 -2.829 7.945 539 2HG2 THR 74 HG22 THR 74 -2.771 -1.656 6.963 540 3HG2 THR 74 HG23 THR 74 -1.913 -3.011 7.698 541 H ILE 75 HN ILE 75 -2.836 -1.847 3.596 542 HA ILE 75 HA ILE 75 -2.925 0.745 4.680 543 HB ILE 75 HB ILE 75 -2.129 -0.154 1.910 544 1HG1 ILE 75 HG12 ILE 75 -0.503 0.502 4.379 545 2HG1 ILE 75 HG13 ILE 75 -0.813 -1.116 3.765 546 1HG2 ILE 75 HG21 ILE 75 -1.496 2.462 3.268 547 2HG2 ILE 75 HG22 ILE 75 -1.034 1.967 1.640 548 3HG2 ILE 75 HG23 ILE 75 -2.730 2.260 2.024 549 1HD1 ILE 75 HD11 ILE 75 0.429 0.796 1.892 550 2HD1 ILE 75 HD12 ILE 75 1.415 0.238 3.244 551 3HD1 ILE 75 HD13 ILE 75 0.720 -0.929 2.119 552 H VAL 76 HN VAL 76 -4.610 -0.567 1.789 553 HA VAL 76 HA VAL 76 -5.932 1.753 1.047 554 HB VAL 76 HB VAL 76 -7.845 0.120 0.321 555 1HG1 VAL 76 HG11 VAL 76 -5.120 0.486 -0.763 556 2HG1 VAL 76 HG12 VAL 76 -6.125 -0.759 -1.503 557 3HG1 VAL 76 HG13 VAL 76 -6.681 0.914 -1.455 558 1HG2 VAL 76 HG21 VAL 76 -7.649 -2.008 0.905 559 2HG2 VAL 76 HG22 VAL 76 -6.118 -2.102 0.032 560 3HG2 VAL 76 HG23 VAL 76 -6.138 -1.660 1.739 561 H ASN 77 HN ASN 77 -6.792 -0.571 3.553 562 HA ASN 77 HA ASN 77 -9.358 0.389 4.146 563 1HB ASN 77 HB2 ASN 77 -7.310 -0.919 5.950 564 2HB ASN 77 HB3 ASN 77 -8.998 -0.667 6.380 565 1HD2 ASN 77 HD21 ASN 77 -9.095 -1.283 3.167 566 2HD2 ASN 77 HD22 ASN 77 -9.295 -2.994 3.204 567 H LYS 78 HN LYS 78 -6.275 1.116 5.774 568 HA LYS 78 HA LYS 78 -7.381 3.154 7.420 569 1HB LYS 78 HB2 LYS 78 -4.526 2.506 6.696 570 2HB LYS 78 HB3 LYS 78 -5.002 3.643 7.951 571 1HG LYS 78 HG2 LYS 78 -6.120 1.835 9.166 572 2HG LYS 78 HG3 LYS 78 -5.628 0.697 7.913 573 1HD LYS 78 HD2 LYS 78 -3.305 1.055 8.431 574 2HD LYS 78 HD3 LYS 78 -3.717 2.333 9.577 575 1HE LYS 78 HE2 LYS 78 -3.195 0.239 10.724 576 2HE LYS 78 HE3 LYS 78 -4.874 0.712 10.981 577 1HZ LYS 78 HZ1 LYS 78 -4.290 -1.723 10.360 578 2HZ LYS 78 HZ2 LYS 78 -4.219 -1.121 8.781 579 3HZ LYS 78 HZ3 LYS 78 -5.649 -0.986 9.673 580 H ALA 79 HN ALA 79 -5.605 3.159 4.382 581 HA ALA 79 HA ALA 79 -5.161 5.941 4.250 582 1HB ALA 79 HB1 ALA 79 -4.213 3.891 2.853 583 2HB ALA 79 HB2 ALA 79 -5.454 4.429 1.723 584 3HB ALA 79 HB3 ALA 79 -4.191 5.544 2.241 585 H GLY 80 HN GLY 80 -7.941 3.984 3.333 586 1HA GLY 80 HA1 GLY 80 -9.862 5.858 3.423 587 2HA GLY 80 HA2 GLY 80 -9.123 6.195 1.864 588 H LEU 81 HN LEU 81 -8.689 3.925 0.699 589 HA LEU 81 HA LEU 81 -11.233 3.081 -0.151 590 1HB LEU 81 HB2 LEU 81 -8.634 1.629 -0.597 591 2HB LEU 81 HB3 LEU 81 -10.064 1.610 -1.616 592 HG LEU 81 HG LEU 81 -8.484 4.131 -1.132 593 1HD1 LEU 81 HD11 LEU 81 -7.983 1.881 -3.034 594 2HD1 LEU 81 HD12 LEU 81 -7.661 3.537 -3.546 595 3HD1 LEU 81 HD13 LEU 81 -6.834 2.873 -2.137 596 1HD2 LEU 81 HD21 LEU 81 -10.767 3.305 -2.812 597 2HD2 LEU 81 HD22 LEU 81 -10.379 4.876 -2.111 598 3HD2 LEU 81 HD23 LEU 81 -9.566 4.340 -3.582 Start of MODEL 16 1 1H GLY -3 HT1 GLY -3 -15.376 13.520 -10.463 2 2H GLY -3 HT2 GLY -3 -15.502 11.837 -10.576 3 3H GLY -3 HT3 GLY -3 -14.511 12.533 -9.396 4 1HA GLY -3 HA2 GLY -3 -16.893 13.676 -8.855 5 2HA GLY -3 HA1 GLY -3 -17.355 12.063 -9.376 6 H SER -2 HN SER -2 -17.132 13.626 -6.702 7 HA SER -2 HA SER -2 -15.252 12.343 -5.072 8 1HB SER -2 HB2 SER -2 -17.957 13.476 -4.319 9 2HB SER -2 HB3 SER -2 -16.668 13.076 -3.184 10 HG SER -2 HG SER -2 -16.462 15.224 -3.607 11 H HIS -1 HN HIS -1 -18.614 11.507 -5.818 12 HA HIS -1 HA HIS -1 -18.779 9.286 -4.088 13 1HB HIS -1 HB2 HIS -1 -20.313 9.945 -6.608 14 2HB HIS -1 HB3 HIS -1 -20.715 8.609 -5.535 15 HD1 HIS -1 HD1 HIS -1 -20.144 12.361 -5.098 16 HD2 HIS -1 HD2 HIS -1 -22.661 9.314 -3.818 17 HE1 HIS -1 HE1 HIS -1 -21.811 13.463 -3.576 18 HE2 HIS -1 HE2 HIS -1 -23.271 11.586 -2.744 19 H MET 1 HN MET 1 -18.188 7.209 -4.297 20 HA MET 1 HA MET 1 -17.185 5.334 -5.100 21 1HB MET 1 HB2 MET 1 -18.035 6.445 -7.782 22 2HB MET 1 HB3 MET 1 -17.461 4.808 -7.498 23 1HG MET 1 HG2 MET 1 -19.947 6.036 -6.331 24 2HG MET 1 HG3 MET 1 -19.883 4.886 -7.665 25 1HE MET 1 HE1 MET 1 -21.728 4.523 -5.309 26 2HE MET 1 HE2 MET 1 -21.593 3.099 -6.342 27 3HE MET 1 HE3 MET 1 -21.440 2.936 -4.593 28 H LYS 2 HN LYS 2 -15.091 4.851 -5.300 29 HA LYS 2 HA LYS 2 -13.306 6.917 -6.334 30 1HB LYS 2 HB2 LYS 2 -11.533 5.422 -5.293 31 2HB LYS 2 HB3 LYS 2 -12.619 6.274 -4.211 32 1HG LYS 2 HG2 LYS 2 -12.265 4.017 -3.435 33 2HG LYS 2 HG3 LYS 2 -13.940 4.224 -3.940 34 1HD LYS 2 HD2 LYS 2 -13.471 3.113 -6.043 35 2HD LYS 2 HD3 LYS 2 -11.763 2.978 -5.620 36 1HE LYS 2 HE2 LYS 2 -12.899 0.869 -5.227 37 2HE LYS 2 HE3 LYS 2 -12.367 1.574 -3.700 38 1HZ LYS 2 HZ1 LYS 2 -14.473 1.894 -3.010 39 2HZ LYS 2 HZ2 LYS 2 -14.816 0.643 -4.096 40 3HZ LYS 2 HZ3 LYS 2 -15.062 2.252 -4.556 41 H MET 3 HN MET 3 -14.686 5.610 -8.264 42 HA MET 3 HA MET 3 -14.513 4.437 -10.215 43 1HB MET 3 HB2 MET 3 -11.602 5.159 -9.847 44 2HB MET 3 HB3 MET 3 -12.338 4.632 -11.354 45 1HG MET 3 HG2 MET 3 -13.765 6.606 -11.356 46 2HG MET 3 HG3 MET 3 -13.047 7.132 -9.835 47 1HE MET 3 HE1 MET 3 -10.692 5.661 -12.981 48 2HE MET 3 HE2 MET 3 -12.401 5.945 -13.313 49 3HE MET 3 HE3 MET 3 -11.180 7.030 -13.980 50 H GLY 4 HN GLY 4 -14.321 2.867 -7.772 51 1HA GLY 4 HA1 GLY 4 -13.688 0.779 -7.022 52 2HA GLY 4 HA2 GLY 4 -13.941 0.341 -8.702 53 H VAL 5 HN VAL 5 -11.418 2.534 -7.637 54 HA VAL 5 HA VAL 5 -9.430 0.911 -8.905 55 HB VAL 5 HB VAL 5 -9.454 3.473 -8.729 56 1HG1 VAL 5 HG11 VAL 5 -7.832 2.926 -6.263 57 2HG1 VAL 5 HG12 VAL 5 -8.375 4.491 -6.887 58 3HG1 VAL 5 HG13 VAL 5 -9.543 3.369 -6.185 59 1HG2 VAL 5 HG21 VAL 5 -6.972 3.587 -8.786 60 2HG2 VAL 5 HG22 VAL 5 -6.952 1.876 -8.369 61 3HG2 VAL 5 HG23 VAL 5 -7.692 2.410 -9.881 62 H LYS 6 HN LYS 6 -10.831 0.697 -5.868 63 HA LYS 6 HA LYS 6 -8.802 0.410 -4.067 64 1HB LYS 6 HB2 LYS 6 -11.142 0.046 -3.460 65 2HB LYS 6 HB3 LYS 6 -11.181 -1.431 -4.413 66 1HG LYS 6 HG2 LYS 6 -9.523 -2.432 -2.908 67 2HG LYS 6 HG3 LYS 6 -9.525 -0.955 -1.943 68 1HD LYS 6 HD2 LYS 6 -11.896 -1.267 -1.456 69 2HD LYS 6 HD3 LYS 6 -11.915 -2.727 -2.447 70 1HE LYS 6 HE2 LYS 6 -11.759 -3.296 -0.088 71 2HE LYS 6 HE3 LYS 6 -10.291 -3.768 -0.941 72 1HZ LYS 6 HZ1 LYS 6 -10.560 -2.059 1.276 73 2HZ LYS 6 HZ2 LYS 6 -9.906 -1.174 -0.008 74 3HZ LYS 6 HZ3 LYS 6 -9.144 -2.589 0.518 75 H GLU 7 HN GLU 7 -9.919 -2.019 -6.390 76 HA GLU 7 HA GLU 7 -7.749 -3.808 -5.777 77 1HB GLU 7 HB2 GLU 7 -9.737 -3.846 -8.062 78 2HB GLU 7 HB3 GLU 7 -8.621 -5.145 -7.665 79 1HG GLU 7 HG2 GLU 7 -10.817 -4.126 -5.876 80 2HG GLU 7 HG3 GLU 7 -10.892 -5.583 -6.867 81 H ASP 8 HN ASP 8 -8.393 -1.271 -8.104 82 HA ASP 8 HA ASP 8 -6.431 -1.926 -9.990 83 1HB ASP 8 HB2 ASP 8 -7.875 0.565 -9.341 84 2HB ASP 8 HB3 ASP 8 -6.600 0.576 -10.549 85 H ILE 9 HN ILE 9 -6.263 0.429 -7.333 86 HA ILE 9 HA ILE 9 -3.520 1.042 -7.746 87 HB ILE 9 HB ILE 9 -5.466 1.594 -5.518 88 1HG1 ILE 9 HG12 ILE 9 -3.855 3.387 -7.344 89 2HG1 ILE 9 HG13 ILE 9 -5.550 2.970 -7.552 90 1HG2 ILE 9 HG21 ILE 9 -3.357 3.099 -4.772 91 2HG2 ILE 9 HG22 ILE 9 -3.723 1.517 -4.085 92 3HG2 ILE 9 HG23 ILE 9 -2.521 1.665 -5.367 93 1HD1 ILE 9 HD11 ILE 9 -6.103 4.713 -6.318 94 2HD1 ILE 9 HD12 ILE 9 -5.264 3.993 -4.943 95 3HD1 ILE 9 HD13 ILE 9 -4.401 5.075 -6.035 96 H ARG 10 HN ARG 10 -5.280 -0.990 -5.417 97 HA ARG 10 HA ARG 10 -3.072 -1.966 -3.991 98 1HB ARG 10 HB2 ARG 10 -5.737 -2.356 -3.776 99 2HB ARG 10 HB3 ARG 10 -5.318 -3.837 -4.613 100 1HG ARG 10 HG2 ARG 10 -3.683 -4.342 -2.833 101 2HG ARG 10 HG3 ARG 10 -4.235 -2.906 -1.965 102 1HD ARG 10 HD2 ARG 10 -5.321 -4.890 -1.090 103 2HD ARG 10 HD3 ARG 10 -6.499 -3.842 -1.880 104 HE ARG 10 HE ARG 10 -5.597 -5.715 -3.748 105 1HH1 ARG 10 HH12 ARG 10 -7.461 -5.605 -0.799 106 2HH1 ARG 10 HH11 ARG 10 -8.413 -6.996 -1.201 107 1HH2 ARG 10 HH22 ARG 10 -6.847 -7.544 -4.277 108 2HH2 ARG 10 HH21 ARG 10 -8.063 -8.096 -3.175 109 H GLY 11 HN GLY 11 -4.335 -2.679 -7.145 110 1HA GLY 11 HA1 GLY 11 -2.989 -5.158 -7.562 111 2HA GLY 11 HA2 GLY 11 -3.580 -4.077 -8.823 112 H GLN 12 HN GLN 12 -2.223 -1.795 -8.230 113 HA GLN 12 HA GLN 12 0.307 -2.254 -9.418 114 1HB GLN 12 HB2 GLN 12 -0.699 0.199 -7.957 115 2HB GLN 12 HB3 GLN 12 0.673 0.138 -9.047 116 1HG GLN 12 HG2 GLN 12 -0.845 -0.469 -10.886 117 2HG GLN 12 HG3 GLN 12 -2.205 -0.321 -9.776 118 1HE2 GLN 12 HE21 GLN 12 -3.254 1.509 -9.972 119 2HE2 GLN 12 HE22 GLN 12 -2.575 3.039 -10.399 120 H ILE 13 HN ILE 13 -0.841 -1.900 -6.137 121 HA ILE 13 HA ILE 13 1.690 -1.499 -4.912 122 HB ILE 13 HB ILE 13 -0.901 -2.499 -3.731 123 1HG1 ILE 13 HG12 ILE 13 0.375 0.247 -3.711 124 2HG1 ILE 13 HG13 ILE 13 -1.024 -0.225 -4.670 125 1HG2 ILE 13 HG21 ILE 13 1.769 -2.182 -2.587 126 2HG2 ILE 13 HG22 ILE 13 0.504 -1.346 -1.686 127 3HG2 ILE 13 HG23 ILE 13 0.375 -3.080 -1.986 128 1HD1 ILE 13 HD11 ILE 13 -0.888 0.683 -1.952 129 2HD1 ILE 13 HD12 ILE 13 -2.292 0.460 -2.994 130 3HD1 ILE 13 HD13 ILE 13 -1.678 -0.893 -2.046 131 H ILE 14 HN ILE 14 -0.386 -4.374 -5.294 132 HA ILE 14 HA ILE 14 1.194 -6.199 -3.926 133 HB ILE 14 HB ILE 14 -0.740 -6.463 -6.193 134 1HG1 ILE 14 HG12 ILE 14 -1.570 -6.141 -3.905 135 2HG1 ILE 14 HG13 ILE 14 -2.012 -7.732 -4.515 136 1HG2 ILE 14 HG21 ILE 14 0.856 -8.159 -6.757 137 2HG2 ILE 14 HG22 ILE 14 0.949 -8.702 -5.081 138 3HG2 ILE 14 HG23 ILE 14 -0.531 -8.949 -6.009 139 1HD1 ILE 14 HD11 ILE 14 -0.417 -7.002 -2.217 140 2HD1 ILE 14 HD12 ILE 14 -1.202 -8.530 -2.616 141 3HD1 ILE 14 HD13 ILE 14 0.400 -8.167 -3.258 142 H GLY 15 HN GLY 15 1.261 -5.484 -7.433 143 1HA GLY 15 HA1 GLY 15 3.526 -7.109 -7.967 144 2HA GLY 15 HA2 GLY 15 2.931 -5.806 -8.992 145 H ALA 16 HN ALA 16 3.102 -3.775 -7.027 146 HA ALA 16 HA ALA 16 5.733 -2.856 -7.415 147 1HB ALA 16 HB1 ALA 16 3.380 -1.951 -5.801 148 2HB ALA 16 HB2 ALA 16 4.952 -1.180 -5.566 149 3HB ALA 16 HB3 ALA 16 4.192 -1.160 -7.157 150 H LEU 17 HN LEU 17 4.328 -4.853 -4.989 151 HA LEU 17 HA LEU 17 6.425 -4.362 -3.044 152 1HB LEU 17 HB2 LEU 17 3.981 -6.122 -3.059 153 2HB LEU 17 HB3 LEU 17 5.133 -6.090 -1.739 154 HG LEU 17 HG LEU 17 3.720 -3.603 -2.676 155 1HD1 LEU 17 HD11 LEU 17 2.066 -5.335 -2.012 156 2HD1 LEU 17 HD12 LEU 17 2.835 -5.403 -0.427 157 3HD1 LEU 17 HD13 LEU 17 2.069 -3.913 -0.972 158 1HD2 LEU 17 HD21 LEU 17 4.410 -3.811 0.120 159 2HD2 LEU 17 HD22 LEU 17 5.821 -4.047 -0.913 160 3HD2 LEU 17 HD23 LEU 17 4.853 -2.581 -1.064 161 H ALA 18 HN ALA 18 5.515 -6.738 -5.415 162 HA ALA 18 HA ALA 18 6.975 -8.944 -4.519 163 1HB ALA 18 HB1 ALA 18 5.534 -9.420 -6.256 164 2HB ALA 18 HB2 ALA 18 6.067 -8.040 -7.217 165 3HB ALA 18 HB3 ALA 18 7.103 -9.459 -7.062 166 H GLY 19 HN GLY 19 8.964 -8.081 -3.644 167 1HA GLY 19 HA1 GLY 19 11.201 -8.460 -5.212 168 2HA GLY 19 HA2 GLY 19 10.854 -6.744 -5.323 169 H ALA 20 HN ALA 20 9.912 -6.393 -2.656 170 HA ALA 20 HA ALA 20 12.203 -5.679 -1.308 171 1HB ALA 20 HB1 ALA 20 9.575 -5.342 -0.868 172 2HB ALA 20 HB2 ALA 20 9.959 -6.499 0.406 173 3HB ALA 20 HB3 ALA 20 10.825 -4.965 0.317 174 H ASP 21 HN ASP 21 12.479 -6.515 1.108 175 HA ASP 21 HA ASP 21 13.859 -8.954 0.999 176 1HB ASP 21 HB2 ASP 21 12.889 -7.139 3.194 177 2HB ASP 21 HB3 ASP 21 13.606 -8.702 3.610 178 H PHE 22 HN PHE 22 11.984 -9.390 3.772 179 HA PHE 22 HA PHE 22 10.728 -11.695 2.735 180 1HB PHE 22 HB2 PHE 22 9.647 -11.929 4.828 181 2HB PHE 22 HB3 PHE 22 11.142 -11.109 5.227 182 HD1 PHE 22 HD1 PHE 22 10.858 -9.586 6.950 183 HD2 PHE 22 HD2 PHE 22 7.777 -10.001 4.053 184 HE1 PHE 22 HE1 PHE 22 9.563 -7.873 8.130 185 HE2 PHE 22 HE2 PHE 22 6.483 -8.256 5.202 186 HZ PHE 22 HZ PHE 22 7.447 -7.143 7.219 187 HA PRO 23 HA PRO 23 7.183 -10.096 0.733 188 1HB PRO 23 HB2 PRO 23 4.961 -11.043 1.980 189 2HB PRO 23 HB3 PRO 23 5.977 -12.023 0.926 190 1HG PRO 23 HG2 PRO 23 5.970 -11.854 3.918 191 2HG PRO 23 HG3 PRO 23 6.051 -13.291 2.878 192 1HD PRO 23 HD2 PRO 23 8.244 -12.265 4.024 193 2HD PRO 23 HD3 PRO 23 8.301 -12.969 2.397 194 H ILE 24 HN ILE 24 8.104 -8.039 1.973 195 HA ILE 24 HA ILE 24 7.123 -5.909 2.199 196 HB ILE 24 HB ILE 24 5.064 -7.287 3.891 197 1HG1 ILE 24 HG12 ILE 24 4.566 -7.772 1.650 198 2HG1 ILE 24 HG13 ILE 24 3.606 -6.330 1.971 199 1HG2 ILE 24 HG21 ILE 24 4.297 -4.658 3.192 200 2HG2 ILE 24 HG22 ILE 24 4.577 -5.335 4.796 201 3HG2 ILE 24 HG23 ILE 24 5.901 -4.585 3.918 202 1HD1 ILE 24 HD11 ILE 24 4.559 -5.901 -0.082 203 2HD1 ILE 24 HD12 ILE 24 5.636 -5.053 1.026 204 3HD1 ILE 24 HD13 ILE 24 6.105 -6.617 0.361 205 H ASN 25 HN ASN 25 9.372 -6.270 3.262 206 HA ASN 25 HA ASN 25 9.590 -6.310 6.094 207 1HB ASN 25 HB2 ASN 25 11.353 -5.612 3.811 208 2HB ASN 25 HB3 ASN 25 11.813 -5.009 5.403 209 1HD2 ASN 25 HD21 ASN 25 13.137 -6.227 6.458 210 2HD2 ASN 25 HD22 ASN 25 13.265 -7.951 6.354 211 H SER 26 HN SER 26 7.627 -4.667 6.215 212 HA SER 26 HA SER 26 6.889 -2.600 6.819 213 1HB SER 26 HB2 SER 26 8.389 -1.190 8.099 214 2HB SER 26 HB3 SER 26 8.695 -2.871 8.529 215 HG SER 26 HG SER 26 10.587 -2.816 7.492 216 HA PRO 27 HA PRO 27 6.990 0.002 3.327 217 1HB PRO 27 HB2 PRO 27 7.258 2.276 5.245 218 2HB PRO 27 HB3 PRO 27 6.136 2.074 3.896 219 1HG PRO 27 HG2 PRO 27 5.312 1.678 6.400 220 2HG PRO 27 HG3 PRO 27 4.750 0.626 5.086 221 1HD PRO 27 HD2 PRO 27 6.737 0.073 7.230 222 2HD PRO 27 HD3 PRO 27 5.605 -1.030 6.414 223 H GLU 28 HN GLU 28 9.434 0.451 5.780 224 HA GLU 28 HA GLU 28 11.184 2.089 4.350 225 1HB GLU 28 HB2 GLU 28 11.949 -0.218 6.160 226 2HB GLU 28 HB3 GLU 28 12.939 1.185 5.765 227 1HG GLU 28 HG2 GLU 28 11.334 2.637 6.908 228 2HG GLU 28 HG3 GLU 28 10.357 1.227 7.318 229 H GLU 29 HN GLU 29 11.150 -1.457 4.586 230 HA GLU 29 HA GLU 29 12.980 -1.819 2.430 231 1HB GLU 29 HB2 GLU 29 12.606 -3.302 4.439 232 2HB GLU 29 HB3 GLU 29 11.136 -3.830 3.604 233 1HG GLU 29 HG2 GLU 29 13.030 -5.361 3.235 234 2HG GLU 29 HG3 GLU 29 12.457 -4.630 1.734 235 H LEU 30 HN LEU 30 9.536 -2.805 2.822 236 HA LEU 30 HA LEU 30 9.191 -3.784 0.289 237 1HB LEU 30 HB2 LEU 30 6.844 -3.573 0.551 238 2HB LEU 30 HB3 LEU 30 7.514 -3.948 2.124 239 HG LEU 30 HG LEU 30 7.376 -1.167 2.087 240 1HD1 LEU 30 HD11 LEU 30 5.961 -1.389 0.041 241 2HD1 LEU 30 HD12 LEU 30 4.793 -2.267 1.030 242 3HD1 LEU 30 HD13 LEU 30 5.173 -0.592 1.405 243 1HD2 LEU 30 HD21 LEU 30 5.208 -2.922 3.170 244 2HD2 LEU 30 HD22 LEU 30 6.824 -2.933 3.871 245 3HD2 LEU 30 HD23 LEU 30 5.867 -1.453 3.864 246 H MET 31 HN MET 31 9.231 -0.419 1.301 247 HA MET 31 HA MET 31 8.502 0.505 -1.338 248 1HB MET 31 HB2 MET 31 9.067 1.812 1.227 249 2HB MET 31 HB3 MET 31 9.684 2.682 -0.165 250 1HG MET 31 HG2 MET 31 7.388 3.330 0.559 251 2HG MET 31 HG3 MET 31 7.527 2.845 -1.131 252 1HE MET 31 HE1 MET 31 4.514 1.475 -1.398 253 2HE MET 31 HE2 MET 31 4.090 2.124 0.183 254 3HE MET 31 HE3 MET 31 5.136 3.048 -0.898 255 H ALA 32 HN ALA 32 11.383 -0.304 0.470 256 HA ALA 32 HA ALA 32 13.262 0.981 -1.220 257 1HB ALA 32 HB1 ALA 32 14.821 -0.041 0.052 258 2HB ALA 32 HB2 ALA 32 13.446 -0.466 1.072 259 3HB ALA 32 HB3 ALA 32 14.059 -1.624 -0.109 260 H ALA 33 HN ALA 33 11.337 -1.890 -1.487 261 HA ALA 33 HA ALA 33 12.804 -3.018 -3.689 262 1HB ALA 33 HB1 ALA 33 11.567 -4.849 -3.334 263 2HB ALA 33 HB2 ALA 33 11.168 -4.050 -1.811 264 3HB ALA 33 HB3 ALA 33 10.064 -3.938 -3.185 265 H LEU 34 HN LEU 34 9.877 -1.098 -3.249 266 HA LEU 34 HA LEU 34 8.455 -1.304 -5.475 267 1HB LEU 34 HB2 LEU 34 9.244 1.040 -3.871 268 2HB LEU 34 HB3 LEU 34 8.565 1.397 -5.447 269 HG LEU 34 HG LEU 34 6.501 0.300 -4.897 270 1HD1 LEU 34 HD11 LEU 34 6.236 -1.271 -3.345 271 2HD1 LEU 34 HD12 LEU 34 7.991 -1.285 -3.215 272 3HD1 LEU 34 HD13 LEU 34 7.034 -0.304 -2.104 273 1HD2 LEU 34 HD21 LEU 34 6.190 2.386 -4.079 274 2HD2 LEU 34 HD22 LEU 34 6.110 1.515 -2.553 275 3HD2 LEU 34 HD23 LEU 34 7.607 2.305 -3.036 276 HA PRO 35 HA PRO 35 11.006 -1.185 -9.081 277 1HB PRO 35 HB2 PRO 35 8.560 0.024 -10.277 278 2HB PRO 35 HB3 PRO 35 9.533 -1.340 -10.837 279 1HG PRO 35 HG2 PRO 35 7.186 -1.741 -9.642 280 2HG PRO 35 HG3 PRO 35 8.562 -2.819 -9.340 281 1HD PRO 35 HD2 PRO 35 7.395 -0.698 -7.610 282 2HD PRO 35 HD3 PRO 35 8.154 -2.237 -7.159 283 H ASN 36 HN ASN 36 9.132 1.684 -8.194 284 HA ASN 36 HA ASN 36 10.483 3.439 -9.977 285 1HB ASN 36 HB2 ASN 36 8.339 4.103 -9.296 286 2HB ASN 36 HB3 ASN 36 8.690 3.794 -7.602 287 1HD2 ASN 36 HD21 ASN 36 8.829 5.510 -6.444 288 2HD2 ASN 36 HD22 ASN 36 9.400 7.055 -6.941 289 H GLY 37 HN GLY 37 11.182 2.336 -6.734 290 1HA GLY 37 HA1 GLY 37 13.406 2.472 -5.867 291 2HA GLY 37 HA2 GLY 37 13.657 3.922 -6.824 292 HA PRO 38 HA PRO 38 12.597 6.277 -3.215 293 1HB PRO 38 HB2 PRO 38 11.671 8.574 -4.189 294 2HB PRO 38 HB3 PRO 38 13.332 8.059 -4.515 295 1HG PRO 38 HG2 PRO 38 10.912 7.883 -6.269 296 2HG PRO 38 HG3 PRO 38 12.566 8.369 -6.691 297 1HD PRO 38 HD2 PRO 38 11.516 5.856 -7.113 298 2HD PRO 38 HD3 PRO 38 13.249 6.199 -6.971 299 H ASP 39 HN ASP 39 10.570 4.375 -3.789 300 HA ASP 39 HA ASP 39 8.483 3.852 -3.106 301 1HB ASP 39 HB2 ASP 39 8.240 6.677 -2.071 302 2HB ASP 39 HB3 ASP 39 7.322 5.263 -1.553 303 H THR 40 HN THR 40 7.505 3.522 -5.029 304 HA THR 40 HA THR 40 6.698 5.603 -6.786 305 HB THR 40 HB THR 40 7.070 3.402 -7.706 306 HG1 THR 40 HG1 THR 40 5.503 4.583 -8.804 307 1HG2 THR 40 HG21 THR 40 5.025 2.563 -5.697 308 2HG2 THR 40 HG22 THR 40 6.583 1.832 -6.082 309 3HG2 THR 40 HG23 THR 40 5.223 1.644 -7.188 310 H THR 41 HN THR 41 4.780 6.632 -7.029 311 HA THR 41 HA THR 41 2.791 6.215 -4.913 312 HB THR 41 HB THR 41 3.079 8.557 -6.807 313 HG1 THR 41 HG1 THR 41 4.804 8.338 -5.248 314 1HG2 THR 41 HG21 THR 41 0.837 8.522 -6.107 315 2HG2 THR 41 HG22 THR 41 1.624 9.639 -4.991 316 3HG2 THR 41 HG23 THR 41 1.262 7.990 -4.480 317 H CYS 42 HN CYS 42 1.543 4.539 -5.698 318 HA CYS 42 HA CYS 42 0.631 4.413 -8.401 319 1HB CYS 42 HB2 CYS 42 -0.402 2.956 -5.955 320 2HB CYS 42 HB3 CYS 42 -0.767 2.544 -7.629 321 HG CYS 42 HG CYS 42 2.002 2.023 -8.200 322 H LYS 43 HN LYS 43 -0.032 6.868 -7.928 323 HA LYS 43 HA LYS 43 -2.603 7.228 -6.730 324 1HB LYS 43 HB2 LYS 43 -2.449 9.519 -7.575 325 2HB LYS 43 HB3 LYS 43 -0.965 9.044 -6.758 326 1HG LYS 43 HG2 LYS 43 0.106 8.654 -8.910 327 2HG LYS 43 HG3 LYS 43 -1.389 9.081 -9.742 328 1HD LYS 43 HD2 LYS 43 0.140 10.965 -9.754 329 2HD LYS 43 HD3 LYS 43 -1.271 11.335 -8.761 330 1HE LYS 43 HE2 LYS 43 0.731 12.097 -7.646 331 2HE LYS 43 HE3 LYS 43 0.025 10.755 -6.749 332 1HZ LYS 43 HZ1 LYS 43 2.353 10.408 -6.860 333 2HZ LYS 43 HZ2 LYS 43 2.395 10.674 -8.530 334 3HZ LYS 43 HZ3 LYS 43 1.645 9.289 -7.914 335 H SER 44 HN SER 44 -4.547 7.775 -7.757 336 HA SER 44 HA SER 44 -4.797 7.558 -10.622 337 1HB SER 44 HB2 SER 44 -6.093 5.488 -8.830 338 2HB SER 44 HB3 SER 44 -6.392 5.673 -10.559 339 HG SER 44 HG SER 44 -4.076 5.306 -10.817 340 H GLY 45 HN GLY 45 -6.409 8.843 -11.296 341 1HA GLY 45 HA1 GLY 45 -8.206 10.270 -11.225 342 2HA GLY 45 HA2 GLY 45 -8.912 9.134 -10.084 343 H ASP 46 HN ASP 46 -6.077 11.275 -9.896 344 HA ASP 46 HA ASP 46 -5.619 13.072 -8.562 345 1HB ASP 46 HB2 ASP 46 -8.414 12.762 -7.444 346 2HB ASP 46 HB3 ASP 46 -7.339 14.131 -7.197 347 H VAL 47 HN VAL 47 -7.330 10.390 -6.986 348 HA VAL 47 HA VAL 47 -6.190 10.758 -4.429 349 HB VAL 47 HB VAL 47 -7.190 8.174 -5.637 350 1HG1 VAL 47 HG11 VAL 47 -6.881 7.228 -3.645 351 2HG1 VAL 47 HG12 VAL 47 -5.933 8.648 -3.204 352 3HG1 VAL 47 HG13 VAL 47 -7.650 8.576 -2.808 353 1HG2 VAL 47 HG21 VAL 47 -8.598 10.578 -4.665 354 2HG2 VAL 47 HG22 VAL 47 -9.108 9.352 -5.826 355 3HG2 VAL 47 HG23 VAL 47 -9.225 9.031 -4.096 356 H GLU 48 HN GLU 48 -4.362 9.958 -3.495 357 HA GLU 48 HA GLU 48 -2.569 8.340 -5.183 358 1HB GLU 48 HB2 GLU 48 -1.560 10.426 -3.260 359 2HB GLU 48 HB3 GLU 48 -0.691 9.626 -4.564 360 1HG GLU 48 HG2 GLU 48 -1.985 10.837 -6.211 361 2HG GLU 48 HG3 GLU 48 -2.938 11.593 -4.937 362 H LEU 49 HN LEU 49 -1.695 6.576 -4.200 363 HA LEU 49 HA LEU 49 -1.869 6.408 -1.270 364 1HB LEU 49 HB2 LEU 49 -2.685 4.255 -3.220 365 2HB LEU 49 HB3 LEU 49 -2.559 4.037 -1.487 366 HG LEU 49 HG LEU 49 -4.868 4.304 -2.072 367 1HD1 LEU 49 HD11 LEU 49 -4.259 5.262 0.033 368 2HD1 LEU 49 HD12 LEU 49 -3.738 6.758 -0.740 369 3HD1 LEU 49 HD13 LEU 49 -5.445 6.313 -0.738 370 1HD2 LEU 49 HD21 LEU 49 -3.960 5.954 -4.082 371 2HD2 LEU 49 HD22 LEU 49 -5.645 5.680 -3.643 372 3HD2 LEU 49 HD23 LEU 49 -4.777 7.065 -2.982 373 H LYS 50 HN LYS 50 -0.221 5.391 -0.248 374 HA LYS 50 HA LYS 50 1.543 3.542 -1.355 375 1HB LYS 50 HB2 LYS 50 3.579 4.932 -1.630 376 2HB LYS 50 HB3 LYS 50 2.324 5.315 -2.793 377 1HG LYS 50 HG2 LYS 50 1.714 7.291 -1.542 378 2HG LYS 50 HG3 LYS 50 2.898 6.892 -0.295 379 1HD LYS 50 HD2 LYS 50 4.713 7.194 -1.824 380 2HD LYS 50 HD3 LYS 50 3.606 7.353 -3.188 381 1HE LYS 50 HE2 LYS 50 2.748 9.429 -2.295 382 2HE LYS 50 HE3 LYS 50 3.746 9.255 -0.853 383 1HZ LYS 50 HZ1 LYS 50 5.149 9.194 -3.398 384 2HZ LYS 50 HZ2 LYS 50 5.586 9.929 -1.940 385 3HZ LYS 50 HZ3 LYS 50 4.472 10.683 -2.964 386 H ALA 51 HN ALA 51 3.912 4.146 0.031 387 HA ALA 51 HA ALA 51 3.102 3.483 2.695 388 1HB ALA 51 HB1 ALA 51 5.664 3.616 1.216 389 2HB ALA 51 HB2 ALA 51 5.734 3.750 2.971 390 3HB ALA 51 HB3 ALA 51 5.005 2.329 2.225 391 H SER 52 HN SER 52 4.753 6.214 1.181 392 HA SER 52 HA SER 52 5.297 7.653 3.500 393 1HB SER 52 HB2 SER 52 6.244 8.095 1.253 394 2HB SER 52 HB3 SER 52 4.687 8.761 0.756 395 HG SER 52 HG SER 52 6.487 9.767 2.691 396 H ASP 53 HN ASP 53 2.565 8.116 1.234 397 HA ASP 53 HA ASP 53 1.242 9.952 2.968 398 1HB ASP 53 HB2 ASP 53 0.301 8.470 0.515 399 2HB ASP 53 HB3 ASP 53 -0.679 9.657 1.370 400 H ALA 54 HN ALA 54 0.442 6.600 2.011 401 HA ALA 54 HA ALA 54 -1.536 6.477 4.141 402 1HB ALA 54 HB1 ALA 54 -0.913 4.809 1.761 403 2HB ALA 54 HB2 ALA 54 -1.794 4.083 3.104 404 3HB ALA 54 HB3 ALA 54 -2.443 5.505 2.288 405 H GLY 55 HN GLY 55 1.478 4.810 3.244 406 1HA GLY 55 HA1 GLY 55 1.585 2.798 5.086 407 2HA GLY 55 HA2 GLY 55 3.001 3.706 4.593 408 H GLN 56 HN GLN 56 1.785 6.203 5.775 409 HA GLN 56 HA GLN 56 3.105 6.384 8.147 410 1HB GLN 56 HB2 GLN 56 1.435 8.146 8.784 411 2HB GLN 56 HB3 GLN 56 2.121 8.341 7.175 412 1HG GLN 56 HG2 GLN 56 0.104 7.361 6.205 413 2HG GLN 56 HG3 GLN 56 -0.576 7.168 7.819 414 1HE2 GLN 56 HE21 GLN 56 -2.009 8.654 8.301 415 2HE2 GLN 56 HE22 GLN 56 -1.997 10.299 7.774 416 H VAL 57 HN VAL 57 -0.140 5.138 7.631 417 HA VAL 57 HA VAL 57 -0.843 4.790 10.341 418 HB VAL 57 HB VAL 57 -2.617 3.302 9.481 419 1HG1 VAL 57 HG11 VAL 57 -3.298 5.113 7.578 420 2HG1 VAL 57 HG12 VAL 57 -3.486 5.374 9.312 421 3HG1 VAL 57 HG13 VAL 57 -2.070 6.012 8.473 422 1HG2 VAL 57 HG21 VAL 57 -2.541 3.443 6.770 423 2HG2 VAL 57 HG22 VAL 57 -0.832 3.242 7.149 424 3HG2 VAL 57 HG23 VAL 57 -2.003 2.055 7.714 425 H LEU 58 HN LEU 58 0.922 2.814 8.058 426 HA LEU 58 HA LEU 58 0.861 0.406 9.578 427 1HB LEU 58 HB2 LEU 58 2.911 1.214 7.518 428 2HB LEU 58 HB3 LEU 58 2.507 -0.414 8.034 429 HG LEU 58 HG LEU 58 0.749 1.452 6.442 430 1HD1 LEU 58 HD11 LEU 58 1.370 0.345 4.595 431 2HD1 LEU 58 HD12 LEU 58 2.791 -0.086 5.545 432 3HD1 LEU 58 HD13 LEU 58 1.438 -1.210 5.424 433 1HD2 LEU 58 HD21 LEU 58 0.092 -0.841 8.091 434 2HD2 LEU 58 HD22 LEU 58 -0.968 0.326 7.304 435 3HD2 LEU 58 HD23 LEU 58 -0.379 -1.072 6.407 436 H THR 59 HN THR 59 1.396 1.580 11.654 437 HA THR 59 HA THR 59 3.783 2.754 12.308 438 HB THR 59 HB THR 59 3.473 1.918 14.604 439 HG1 THR 59 HG1 THR 59 2.343 0.162 14.956 440 1HG2 THR 59 HG21 THR 59 1.304 3.152 13.021 441 2HG2 THR 59 HG22 THR 59 2.141 3.746 14.456 442 3HG2 THR 59 HG23 THR 59 0.855 2.550 14.617 443 H ALA 60 HN ALA 60 5.699 1.968 13.369 444 HA ALA 60 HA ALA 60 7.200 0.170 12.004 445 1HB ALA 60 HB1 ALA 60 8.802 0.547 13.541 446 2HB ALA 60 HB2 ALA 60 7.662 1.759 14.123 447 3HB ALA 60 HB3 ALA 60 7.740 0.176 14.900 448 H ASP 61 HN ASP 61 5.108 -0.580 14.764 449 HA ASP 61 HA ASP 61 5.847 -3.186 15.274 450 1HB ASP 61 HB2 ASP 61 4.201 -1.965 16.623 451 2HB ASP 61 HB3 ASP 61 3.045 -2.041 15.297 452 H ASP 62 HN ASP 62 4.094 -1.907 12.567 453 HA ASP 62 HA ASP 62 3.010 -4.374 11.643 454 1HB ASP 62 HB2 ASP 62 3.496 -1.783 10.171 455 2HB ASP 62 HB3 ASP 62 2.550 -3.133 9.562 456 H PHE 63 HN PHE 63 6.185 -3.601 11.863 457 HA PHE 63 HA PHE 63 7.415 -3.867 9.480 458 1HB PHE 63 HB2 PHE 63 8.112 -4.543 12.203 459 2HB PHE 63 HB3 PHE 63 8.842 -5.679 11.072 460 HD1 PHE 63 HD1 PHE 63 8.230 -1.990 11.110 461 HD2 PHE 63 HD2 PHE 63 10.999 -5.174 10.563 462 HE1 PHE 63 HE1 PHE 63 10.000 -0.360 10.610 463 HE2 PHE 63 HE2 PHE 63 12.774 -3.549 10.064 464 HZ PHE 63 HZ PHE 63 12.277 -1.138 10.086 465 HA PRO 64 HA PRO 64 7.007 -8.618 9.161 466 1HB PRO 64 HB2 PRO 64 5.771 -10.015 11.106 467 2HB PRO 64 HB3 PRO 64 7.483 -9.583 11.201 468 1HG PRO 64 HG2 PRO 64 5.125 -8.270 12.499 469 2HG PRO 64 HG3 PRO 64 6.711 -8.655 13.192 470 1HD PRO 64 HD2 PRO 64 6.038 -6.170 12.307 471 2HD PRO 64 HD3 PRO 64 7.700 -6.793 12.277 472 H PHE 65 HN PHE 65 5.452 -7.388 7.743 473 HA PHE 65 HA PHE 65 2.653 -7.543 8.338 474 1HB PHE 65 HB2 PHE 65 4.320 -6.300 6.353 475 2HB PHE 65 HB3 PHE 65 3.017 -7.183 5.562 476 HD1 PHE 65 HD1 PHE 65 3.937 -4.154 7.006 477 HD2 PHE 65 HD2 PHE 65 0.605 -6.776 6.634 478 HE1 PHE 65 HE1 PHE 65 2.428 -2.288 7.513 479 HE2 PHE 65 HE2 PHE 65 -0.913 -4.908 7.132 480 HZ PHE 65 HZ PHE 65 -0.103 -2.725 7.489 481 H LYS 66 HN LYS 66 1.129 -8.925 7.532 482 HA LYS 66 HA LYS 66 1.946 -11.564 6.899 483 1HB LYS 66 HB2 LYS 66 -0.194 -10.925 8.069 484 2HB LYS 66 HB3 LYS 66 -0.804 -10.402 6.507 485 1HG LYS 66 HG2 LYS 66 -0.539 -12.659 5.631 486 2HG LYS 66 HG3 LYS 66 0.073 -13.194 7.197 487 1HD LYS 66 HD2 LYS 66 -2.058 -12.588 8.237 488 2HD LYS 66 HD3 LYS 66 -2.669 -12.046 6.672 489 1HE LYS 66 HE2 LYS 66 -2.414 -14.316 5.790 490 2HE LYS 66 HE3 LYS 66 -1.803 -14.854 7.354 491 1HZ LYS 66 HZ1 LYS 66 -3.994 -15.421 7.519 492 2HZ LYS 66 HZ2 LYS 66 -4.536 -14.125 6.578 493 3HZ LYS 66 HZ3 LYS 66 -4.056 -13.864 8.179 494 H SER 67 HN SER 67 3.329 -10.861 5.079 495 HA SER 67 HA SER 67 3.819 -10.832 2.882 496 1HB SER 67 HB2 SER 67 1.098 -12.105 2.614 497 2HB SER 67 HB3 SER 67 2.344 -12.084 1.367 498 HG SER 67 HG SER 67 2.216 -13.542 3.741 499 H ALA 68 HN ALA 68 3.322 -9.912 0.781 500 HA ALA 68 HA ALA 68 2.556 -7.272 0.881 501 1HB ALA 68 HB1 ALA 68 3.034 -9.237 -1.263 502 2HB ALA 68 HB2 ALA 68 2.135 -7.788 -1.715 503 3HB ALA 68 HB3 ALA 68 3.743 -7.644 -1.004 504 H GLU 69 HN GLU 69 0.567 -10.090 0.392 505 HA GLU 69 HA GLU 69 -1.683 -8.889 -0.721 506 1HB GLU 69 HB2 GLU 69 -2.943 -10.798 0.219 507 2HB GLU 69 HB3 GLU 69 -1.480 -11.292 -0.622 508 1HG GLU 69 HG2 GLU 69 -0.355 -11.451 1.568 509 2HG GLU 69 HG3 GLU 69 -1.895 -11.081 2.336 510 H GLU 70 HN GLU 70 -0.894 -9.362 2.768 511 HA GLU 70 HA GLU 70 -3.300 -8.035 3.522 512 1HB GLU 70 HB2 GLU 70 -2.913 -8.757 5.599 513 2HB GLU 70 HB3 GLU 70 -1.648 -9.719 4.857 514 1HG GLU 70 HG2 GLU 70 0.034 -8.381 5.654 515 2HG GLU 70 HG3 GLU 70 -1.010 -6.963 5.784 516 H VAL 71 HN VAL 71 -0.041 -6.997 2.959 517 HA VAL 71 HA VAL 71 -0.274 -4.485 4.254 518 HB VAL 71 HB VAL 71 1.482 -5.236 1.923 519 1HG1 VAL 71 HG11 VAL 71 2.811 -3.360 3.424 520 2HG1 VAL 71 HG12 VAL 71 1.958 -3.048 1.913 521 3HG1 VAL 71 HG13 VAL 71 1.148 -2.777 3.455 522 1HG2 VAL 71 HG21 VAL 71 1.442 -6.290 4.473 523 2HG2 VAL 71 HG22 VAL 71 2.784 -6.357 3.343 524 3HG2 VAL 71 HG23 VAL 71 2.708 -5.068 4.535 525 H ALA 72 HN ALA 72 -0.605 -5.412 0.829 526 HA ALA 72 HA ALA 72 -1.296 -2.908 -0.176 527 1HB ALA 72 HB1 ALA 72 -2.652 -5.291 -1.315 528 2HB ALA 72 HB2 ALA 72 -1.789 -3.984 -2.126 529 3HB ALA 72 HB3 ALA 72 -0.889 -5.270 -1.324 530 H ASP 73 HN ASP 73 -3.277 -5.453 1.250 531 HA ASP 73 HA ASP 73 -5.797 -4.239 0.853 532 1HB ASP 73 HB2 ASP 73 -5.312 -6.661 1.514 533 2HB ASP 73 HB3 ASP 73 -5.045 -6.060 3.144 534 H THR 74 HN THR 74 -3.541 -4.245 3.567 535 HA THR 74 HA THR 74 -5.018 -2.753 5.393 536 HB THR 74 HB THR 74 -2.020 -2.924 5.047 537 HG1 THR 74 HG1 THR 74 -3.302 -4.897 5.480 538 1HG2 THR 74 HG21 THR 74 -2.390 -1.047 6.431 539 2HG2 THR 74 HG22 THR 74 -2.041 -2.383 7.527 540 3HG2 THR 74 HG23 THR 74 -3.704 -1.845 7.295 541 H ILE 75 HN ILE 75 -2.617 -1.638 3.006 542 HA ILE 75 HA ILE 75 -2.616 1.056 3.698 543 HB ILE 75 HB ILE 75 -2.206 -0.196 0.982 544 1HG1 ILE 75 HG12 ILE 75 -0.242 0.693 3.105 545 2HG1 ILE 75 HG13 ILE 75 -0.642 -0.974 2.709 546 1HG2 ILE 75 HG21 ILE 75 -0.746 2.121 1.005 547 2HG2 ILE 75 HG22 ILE 75 -2.312 1.908 0.221 548 3HG2 ILE 75 HG23 ILE 75 -2.223 2.596 1.843 549 1HD1 ILE 75 HD11 ILE 75 1.493 0.282 1.739 550 2HD1 ILE 75 HD12 ILE 75 0.639 -0.980 0.851 551 3HD1 ILE 75 HD13 ILE 75 0.323 0.718 0.492 552 H VAL 76 HN VAL 76 -4.618 -0.604 1.255 553 HA VAL 76 HA VAL 76 -6.022 1.691 0.446 554 HB VAL 76 HB VAL 76 -7.739 0.081 -0.431 555 1HG1 VAL 76 HG11 VAL 76 -4.849 0.049 -1.095 556 2HG1 VAL 76 HG12 VAL 76 -5.893 -1.133 -1.886 557 3HG1 VAL 76 HG13 VAL 76 -6.229 0.590 -2.052 558 1HG2 VAL 76 HG21 VAL 76 -5.831 -2.024 0.565 559 2HG2 VAL 76 HG22 VAL 76 -7.380 -1.648 1.320 560 3HG2 VAL 76 HG23 VAL 76 -7.329 -2.277 -0.326 561 H ASN 77 HN ASN 77 -6.753 -0.688 2.978 562 HA ASN 77 HA ASN 77 -9.347 0.257 3.546 563 1HB ASN 77 HB2 ASN 77 -7.369 -1.230 5.276 564 2HB ASN 77 HB3 ASN 77 -9.029 -0.896 5.757 565 1HD2 ASN 77 HD21 ASN 77 -7.193 -3.276 4.746 566 2HD2 ASN 77 HD22 ASN 77 -8.304 -4.179 3.777 567 H LYS 78 HN LYS 78 -6.301 0.878 5.322 568 HA LYS 78 HA LYS 78 -7.479 2.789 7.051 569 1HB LYS 78 HB2 LYS 78 -4.587 2.270 6.368 570 2HB LYS 78 HB3 LYS 78 -5.142 3.272 7.704 571 1HG LYS 78 HG2 LYS 78 -6.224 1.340 8.722 572 2HG LYS 78 HG3 LYS 78 -5.701 0.329 7.374 573 1HD LYS 78 HD2 LYS 78 -3.374 0.729 7.953 574 2HD LYS 78 HD3 LYS 78 -3.867 1.802 9.263 575 1HE LYS 78 HE2 LYS 78 -5.006 -0.071 10.358 576 2HE LYS 78 HE3 LYS 78 -4.501 -1.139 9.050 577 1HZ LYS 78 HZ1 LYS 78 -2.155 -0.457 9.670 578 2HZ LYS 78 HZ2 LYS 78 -2.959 -1.477 10.754 579 3HZ LYS 78 HZ3 LYS 78 -2.815 0.173 11.095 580 H ALA 79 HN ALA 79 -5.581 3.070 4.086 581 HA ALA 79 HA ALA 79 -5.256 5.874 4.192 582 1HB ALA 79 HB1 ALA 79 -3.926 4.266 2.798 583 2HB ALA 79 HB2 ALA 79 -5.293 4.219 1.683 584 3HB ALA 79 HB3 ALA 79 -4.444 5.737 1.974 585 H GLY 80 HN GLY 80 -7.888 3.875 2.987 586 1HA GLY 80 HA1 GLY 80 -9.883 5.697 3.102 587 2HA GLY 80 HA2 GLY 80 -9.101 6.093 1.575 588 H LEU 81 HN LEU 81 -8.552 3.886 0.375 589 HA LEU 81 HA LEU 81 -11.021 2.960 -0.589 590 1HB LEU 81 HB2 LEU 81 -8.307 1.700 -0.960 591 2HB LEU 81 HB3 LEU 81 -9.701 1.532 -2.013 592 HG LEU 81 HG LEU 81 -8.332 4.174 -1.501 593 1HD1 LEU 81 HD11 LEU 81 -6.683 2.795 -2.530 594 2HD1 LEU 81 HD12 LEU 81 -7.855 2.122 -3.663 595 3HD1 LEU 81 HD13 LEU 81 -7.368 3.811 -3.798 596 1HD2 LEU 81 HD21 LEU 81 -10.476 4.591 -2.314 597 2HD2 LEU 81 HD22 LEU 81 -9.466 4.623 -3.759 598 3HD2 LEU 81 HD23 LEU 81 -10.443 3.200 -3.397 Start of MODEL 17 1 1H GLY -3 HT1 GLY -3 -19.523 2.013 5.668 2 2H GLY -3 HT2 GLY -3 -18.183 1.029 5.353 3 3H GLY -3 HT3 GLY -3 -18.661 2.193 4.223 4 1HA GLY -3 HA2 GLY -3 -18.082 3.215 6.872 5 2HA GLY -3 HA1 GLY -3 -16.702 2.557 6.004 6 H SER -2 HN SER -2 -15.597 4.311 5.373 7 HA SER -2 HA SER -2 -16.701 6.791 4.679 8 1HB SER -2 HB2 SER -2 -14.045 5.596 3.848 9 2HB SER -2 HB3 SER -2 -14.478 7.302 3.727 10 HG SER -2 HG SER -2 -14.563 5.885 6.174 11 H HIS -1 HN HIS -1 -17.515 7.609 2.844 12 HA HIS -1 HA HIS -1 -18.143 5.833 0.692 13 1HB HIS -1 HB2 HIS -1 -18.562 8.821 0.962 14 2HB HIS -1 HB3 HIS -1 -19.261 7.810 -0.298 15 HD1 HIS -1 HD1 HIS -1 -19.251 7.772 3.522 16 HD2 HIS -1 HD2 HIS -1 -21.789 7.129 0.295 17 HE1 HIS -1 HE1 HIS -1 -21.489 7.227 4.527 18 HE2 HIS -1 HE2 HIS -1 -23.031 6.940 2.556 19 H MET 1 HN MET 1 -17.830 8.171 -1.296 20 HA MET 1 HA MET 1 -16.372 8.775 -2.925 21 1HB MET 1 HB2 MET 1 -14.335 8.474 -0.711 22 2HB MET 1 HB3 MET 1 -14.055 9.281 -2.248 23 1HG MET 1 HG2 MET 1 -15.761 10.936 -1.694 24 2HG MET 1 HG3 MET 1 -16.046 10.125 -0.154 25 1HE MET 1 HE1 MET 1 -13.087 9.279 0.648 26 2HE MET 1 HE2 MET 1 -12.584 10.645 1.641 27 3HE MET 1 HE3 MET 1 -14.213 9.990 1.803 28 H LYS 2 HN LYS 2 -17.038 5.987 -2.627 29 HA LYS 2 HA LYS 2 -14.589 4.553 -3.291 30 1HB LYS 2 HB2 LYS 2 -16.592 3.690 -1.837 31 2HB LYS 2 HB3 LYS 2 -17.327 3.334 -3.395 32 1HG LYS 2 HG2 LYS 2 -16.260 1.355 -2.626 33 2HG LYS 2 HG3 LYS 2 -15.294 1.996 -3.959 34 1HD LYS 2 HD2 LYS 2 -13.759 3.020 -2.344 35 2HD LYS 2 HD3 LYS 2 -14.721 2.365 -1.018 36 1HE LYS 2 HE2 LYS 2 -14.263 0.082 -1.916 37 2HE LYS 2 HE3 LYS 2 -13.169 0.818 -3.087 38 1HZ LYS 2 HZ1 LYS 2 -12.724 1.533 -0.308 39 2HZ LYS 2 HZ2 LYS 2 -11.608 1.190 -1.532 40 3HZ LYS 2 HZ3 LYS 2 -12.383 -0.074 -0.717 41 H MET 3 HN MET 3 -14.158 3.650 -5.315 42 HA MET 3 HA MET 3 -16.020 4.395 -7.472 43 1HB MET 3 HB2 MET 3 -13.006 4.608 -7.548 44 2HB MET 3 HB3 MET 3 -14.079 4.899 -8.911 45 1HG MET 3 HG2 MET 3 -15.102 6.763 -7.714 46 2HG MET 3 HG3 MET 3 -14.031 6.471 -6.344 47 1HE MET 3 HE1 MET 3 -10.790 6.337 -8.362 48 2HE MET 3 HE2 MET 3 -10.800 7.466 -7.007 49 3HE MET 3 HE3 MET 3 -11.627 5.915 -6.868 50 H GLY 4 HN GLY 4 -13.021 2.492 -7.004 51 1HA GLY 4 HA1 GLY 4 -13.952 -0.033 -7.332 52 2HA GLY 4 HA2 GLY 4 -13.888 0.571 -8.980 53 H VAL 5 HN VAL 5 -11.559 2.235 -8.516 54 HA VAL 5 HA VAL 5 -9.556 0.412 -9.198 55 HB VAL 5 HB VAL 5 -9.647 2.955 -9.603 56 1HG1 VAL 5 HG11 VAL 5 -8.490 4.366 -8.097 57 2HG1 VAL 5 HG12 VAL 5 -9.605 3.426 -7.104 58 3HG1 VAL 5 HG13 VAL 5 -7.894 2.983 -7.166 59 1HG2 VAL 5 HG21 VAL 5 -7.924 1.682 -10.588 60 2HG2 VAL 5 HG22 VAL 5 -7.172 3.078 -9.819 61 3HG2 VAL 5 HG23 VAL 5 -7.096 1.501 -9.039 62 H LYS 6 HN LYS 6 -10.849 0.857 -6.133 63 HA LYS 6 HA LYS 6 -8.764 1.041 -4.394 64 1HB LYS 6 HB2 LYS 6 -11.037 0.761 -3.603 65 2HB LYS 6 HB3 LYS 6 -11.119 -0.857 -4.280 66 1HG LYS 6 HG2 LYS 6 -9.127 -0.171 -2.151 67 2HG LYS 6 HG3 LYS 6 -10.790 -0.596 -1.751 68 1HD LYS 6 HD2 LYS 6 -10.445 -2.704 -3.105 69 2HD LYS 6 HD3 LYS 6 -8.730 -2.292 -3.146 70 1HE LYS 6 HE2 LYS 6 -9.187 -3.855 -1.347 71 2HE LYS 6 HE3 LYS 6 -8.669 -2.299 -0.704 72 1HZ LYS 6 HZ1 LYS 6 -11.534 -2.659 -1.018 73 2HZ LYS 6 HZ2 LYS 6 -10.666 -1.915 0.228 74 3HZ LYS 6 HZ3 LYS 6 -10.800 -3.601 0.181 75 H GLU 7 HN GLU 7 -9.854 -1.905 -6.036 76 HA GLU 7 HA GLU 7 -7.556 -3.398 -5.145 77 1HB GLU 7 HB2 GLU 7 -9.649 -4.070 -7.233 78 2HB GLU 7 HB3 GLU 7 -8.436 -5.183 -6.616 79 1HG GLU 7 HG2 GLU 7 -9.402 -5.005 -4.383 80 2HG GLU 7 HG3 GLU 7 -10.612 -3.879 -4.995 81 H ASP 8 HN ASP 8 -8.442 -1.518 -7.981 82 HA ASP 8 HA ASP 8 -6.525 -2.529 -9.757 83 1HB ASP 8 HB2 ASP 8 -8.050 -0.004 -9.644 84 2HB ASP 8 HB3 ASP 8 -6.825 -0.236 -10.879 85 H ILE 9 HN ILE 9 -6.376 0.380 -7.735 86 HA ILE 9 HA ILE 9 -3.714 1.065 -8.371 87 HB ILE 9 HB ILE 9 -5.578 1.792 -6.120 88 1HG1 ILE 9 HG12 ILE 9 -4.221 3.386 -8.300 89 2HG1 ILE 9 HG13 ILE 9 -5.908 2.888 -8.266 90 1HG2 ILE 9 HG21 ILE 9 -2.686 2.625 -6.331 91 2HG2 ILE 9 HG22 ILE 9 -3.878 3.358 -5.257 92 3HG2 ILE 9 HG23 ILE 9 -3.421 1.669 -5.042 93 1HD1 ILE 9 HD11 ILE 9 -5.175 4.372 -5.897 94 2HD1 ILE 9 HD12 ILE 9 -4.879 5.283 -7.377 95 3HD1 ILE 9 HD13 ILE 9 -6.488 4.643 -7.043 96 H ARG 10 HN ARG 10 -5.239 -0.813 -5.798 97 HA ARG 10 HA ARG 10 -2.916 -1.436 -4.333 98 1HB ARG 10 HB2 ARG 10 -5.553 -1.954 -3.994 99 2HB ARG 10 HB3 ARG 10 -5.023 -3.522 -4.584 100 1HG ARG 10 HG2 ARG 10 -4.996 -3.482 -2.178 101 2HG ARG 10 HG3 ARG 10 -3.341 -3.593 -2.791 102 1HD ARG 10 HD2 ARG 10 -3.983 -0.855 -2.594 103 2HD ARG 10 HD3 ARG 10 -4.514 -1.620 -1.100 104 HE ARG 10 HE ARG 10 -1.943 -2.536 -1.661 105 1HH1 ARG 10 HH12 ARG 10 -3.477 0.502 -0.918 106 2HH1 ARG 10 HH11 ARG 10 -2.134 1.106 -0.012 107 1HH2 ARG 10 HH22 ARG 10 -0.174 -1.746 -0.445 108 2HH2 ARG 10 HH21 ARG 10 -0.259 -0.162 0.244 109 H GLY 11 HN GLY 11 -4.179 -2.552 -7.359 110 1HA GLY 11 HA1 GLY 11 -2.740 -5.011 -7.519 111 2HA GLY 11 HA2 GLY 11 -3.367 -4.090 -8.886 112 H GLN 12 HN GLN 12 -2.109 -1.718 -8.564 113 HA GLN 12 HA GLN 12 0.441 -2.171 -9.698 114 1HB GLN 12 HB2 GLN 12 -0.686 0.350 -8.452 115 2HB GLN 12 HB3 GLN 12 0.700 0.266 -9.527 116 1HG GLN 12 HG2 GLN 12 -0.721 -0.495 -11.338 117 2HG GLN 12 HG3 GLN 12 -2.115 -0.483 -10.260 118 1HE2 GLN 12 HE21 GLN 12 -0.520 1.210 -12.586 119 2HE2 GLN 12 HE22 GLN 12 -1.136 2.791 -12.262 120 H ILE 13 HN ILE 13 -0.726 -1.660 -6.466 121 HA ILE 13 HA ILE 13 1.793 -1.044 -5.278 122 HB ILE 13 HB ILE 13 -0.831 -1.898 -4.066 123 1HG1 ILE 13 HG12 ILE 13 0.534 0.796 -4.261 124 2HG1 ILE 13 HG13 ILE 13 -0.838 0.273 -5.230 125 1HG2 ILE 13 HG21 ILE 13 1.784 -1.707 -2.866 126 2HG2 ILE 13 HG22 ILE 13 0.670 -0.547 -2.141 127 3HG2 ILE 13 HG23 ILE 13 0.262 -2.265 -2.167 128 1HD1 ILE 13 HD11 ILE 13 -2.120 0.025 -3.094 129 2HD1 ILE 13 HD12 ILE 13 -0.768 0.815 -2.281 130 3HD1 ILE 13 HD13 ILE 13 -1.673 1.675 -3.527 131 H ILE 14 HN ILE 14 -0.210 -3.996 -5.419 132 HA ILE 14 HA ILE 14 1.380 -5.618 -3.812 133 HB ILE 14 HB ILE 14 -0.518 -6.181 -6.053 134 1HG1 ILE 14 HG12 ILE 14 -1.395 -5.699 -3.819 135 2HG1 ILE 14 HG13 ILE 14 -1.731 -7.371 -4.263 136 1HG2 ILE 14 HG21 ILE 14 0.981 -7.900 -6.546 137 2HG2 ILE 14 HG22 ILE 14 1.395 -8.156 -4.851 138 3HG2 ILE 14 HG23 ILE 14 -0.180 -8.664 -5.461 139 1HD1 ILE 14 HD11 ILE 14 0.437 -7.896 -2.968 140 2HD1 ILE 14 HD12 ILE 14 0.192 -6.303 -2.251 141 3HD1 ILE 14 HD13 ILE 14 -1.044 -7.549 -2.077 142 H GLY 15 HN GLY 15 1.501 -5.240 -7.364 143 1HA GLY 15 HA1 GLY 15 3.787 -6.862 -7.736 144 2HA GLY 15 HA2 GLY 15 3.222 -5.619 -8.849 145 H ALA 16 HN ALA 16 3.333 -3.494 -6.956 146 HA ALA 16 HA ALA 16 5.985 -2.607 -7.323 147 1HB ALA 16 HB1 ALA 16 4.633 -0.803 -7.192 148 2HB ALA 16 HB2 ALA 16 3.516 -1.581 -6.064 149 3HB ALA 16 HB3 ALA 16 5.034 -0.894 -5.478 150 H LEU 17 HN LEU 17 4.435 -4.380 -4.790 151 HA LEU 17 HA LEU 17 6.436 -3.814 -2.794 152 1HB LEU 17 HB2 LEU 17 4.033 -5.619 -2.919 153 2HB LEU 17 HB3 LEU 17 5.160 -5.682 -1.581 154 HG LEU 17 HG LEU 17 3.787 -3.121 -2.368 155 1HD1 LEU 17 HD11 LEU 17 1.905 -3.616 -1.231 156 2HD1 LEU 17 HD12 LEU 17 2.338 -5.271 -1.655 157 3HD1 LEU 17 HD13 LEU 17 2.746 -4.633 -0.062 158 1HD2 LEU 17 HD21 LEU 17 5.851 -3.620 -0.646 159 2HD2 LEU 17 HD22 LEU 17 4.761 -2.237 -0.559 160 3HD2 LEU 17 HD23 LEU 17 4.455 -3.666 0.432 161 H ALA 18 HN ALA 18 5.725 -6.228 -5.185 162 HA ALA 18 HA ALA 18 7.321 -8.331 -4.215 163 1HB ALA 18 HB1 ALA 18 7.387 -9.070 -6.611 164 2HB ALA 18 HB2 ALA 18 5.771 -8.771 -5.973 165 3HB ALA 18 HB3 ALA 18 6.537 -7.582 -7.027 166 H GLY 19 HN GLY 19 9.436 -8.323 -3.825 167 1HA GLY 19 HA1 GLY 19 11.579 -8.155 -5.257 168 2HA GLY 19 HA2 GLY 19 11.136 -6.456 -5.335 169 H ALA 20 HN ALA 20 10.154 -6.270 -2.644 170 HA ALA 20 HA ALA 20 12.430 -5.459 -1.277 171 1HB ALA 20 HB1 ALA 20 10.964 -4.746 0.241 172 2HB ALA 20 HB2 ALA 20 9.715 -5.393 -0.822 173 3HB ALA 20 HB3 ALA 20 10.329 -6.369 0.512 174 H ASP 21 HN ASP 21 12.561 -6.429 1.176 175 HA ASP 21 HA ASP 21 14.077 -8.806 0.941 176 1HB ASP 21 HB2 ASP 21 13.090 -7.079 3.168 177 2HB ASP 21 HB3 ASP 21 13.632 -8.706 3.587 178 H PHE 22 HN PHE 22 12.122 -9.429 3.628 179 HA PHE 22 HA PHE 22 10.967 -11.717 2.438 180 1HB PHE 22 HB2 PHE 22 9.856 -12.081 4.510 181 2HB PHE 22 HB3 PHE 22 11.357 -11.292 4.949 182 HD1 PHE 22 HD1 PHE 22 11.085 -9.873 6.759 183 HD2 PHE 22 HD2 PHE 22 7.996 -10.096 3.851 184 HE1 PHE 22 HE1 PHE 22 9.815 -8.219 8.037 185 HE2 PHE 22 HE2 PHE 22 6.720 -8.407 5.100 186 HZ PHE 22 HZ PHE 22 7.691 -7.423 7.177 187 HA PRO 23 HA PRO 23 7.327 -10.114 0.576 188 1HB PRO 23 HB2 PRO 23 5.136 -11.119 1.826 189 2HB PRO 23 HB3 PRO 23 6.147 -12.066 0.735 190 1HG PRO 23 HG2 PRO 23 6.165 -11.972 3.729 191 2HG PRO 23 HG3 PRO 23 6.260 -13.380 2.652 192 1HD PRO 23 HD2 PRO 23 8.440 -12.333 3.820 193 2HD PRO 23 HD3 PRO 23 8.506 -13.031 2.190 194 H ILE 24 HN ILE 24 8.232 -8.072 1.836 195 HA ILE 24 HA ILE 24 7.219 -5.970 2.182 196 HB ILE 24 HB ILE 24 5.229 -7.449 3.874 197 1HG1 ILE 24 HG12 ILE 24 4.816 -7.862 1.552 198 2HG1 ILE 24 HG13 ILE 24 3.669 -6.624 2.057 199 1HG2 ILE 24 HG21 ILE 24 4.685 -5.527 4.818 200 2HG2 ILE 24 HG22 ILE 24 6.005 -4.739 3.971 201 3HG2 ILE 24 HG23 ILE 24 4.408 -4.808 3.234 202 1HD1 ILE 24 HD11 ILE 24 5.930 -6.473 0.185 203 2HD1 ILE 24 HD12 ILE 24 4.375 -5.643 0.168 204 3HD1 ILE 24 HD13 ILE 24 5.671 -5.067 1.215 205 H ASN 25 HN ASN 25 9.501 -6.329 3.209 206 HA ASN 25 HA ASN 25 9.760 -6.514 6.028 207 1HB ASN 25 HB2 ASN 25 11.462 -5.626 3.770 208 2HB ASN 25 HB3 ASN 25 11.913 -5.069 5.384 209 1HD2 ASN 25 HD21 ASN 25 13.331 -6.266 6.343 210 2HD2 ASN 25 HD22 ASN 25 13.510 -7.980 6.190 211 H SER 26 HN SER 26 7.749 -4.984 6.288 212 HA SER 26 HA SER 26 6.932 -2.997 7.046 213 1HB SER 26 HB2 SER 26 8.364 -1.630 8.394 214 2HB SER 26 HB3 SER 26 8.903 -3.292 8.622 215 HG SER 26 HG SER 26 10.086 -1.331 6.952 216 HA PRO 27 HA PRO 27 6.867 -0.215 3.722 217 1HB PRO 27 HB2 PRO 27 7.178 2.029 5.657 218 2HB PRO 27 HB3 PRO 27 5.973 1.805 4.383 219 1HG PRO 27 HG2 PRO 27 5.351 1.370 6.947 220 2HG PRO 27 HG3 PRO 27 4.700 0.337 5.659 221 1HD PRO 27 HD2 PRO 27 6.859 -0.232 7.631 222 2HD PRO 27 HD3 PRO 27 5.671 -1.331 6.895 223 H GLU 28 HN GLU 28 9.392 0.328 6.109 224 HA GLU 28 HA GLU 28 11.034 2.026 4.658 225 1HB GLU 28 HB2 GLU 28 11.941 -0.305 6.366 226 2HB GLU 28 HB3 GLU 28 12.888 1.122 5.955 227 1HG GLU 28 HG2 GLU 28 10.382 1.089 7.626 228 2HG GLU 28 HG3 GLU 28 12.034 1.246 8.227 229 H GLU 29 HN GLU 29 11.187 -1.531 4.744 230 HA GLU 29 HA GLU 29 12.995 -1.705 2.543 231 1HB GLU 29 HB2 GLU 29 12.819 -3.324 4.411 232 2HB GLU 29 HB3 GLU 29 11.246 -3.797 3.739 233 1HG GLU 29 HG2 GLU 29 13.059 -5.319 3.062 234 2HG GLU 29 HG3 GLU 29 12.300 -4.511 1.691 235 H LEU 30 HN LEU 30 9.628 -2.870 2.927 236 HA LEU 30 HA LEU 30 9.230 -3.732 0.350 237 1HB LEU 30 HB2 LEU 30 6.893 -3.571 0.756 238 2HB LEU 30 HB3 LEU 30 7.647 -3.962 2.288 239 HG LEU 30 HG LEU 30 7.587 -1.361 2.626 240 1HD1 LEU 30 HD11 LEU 30 6.285 -0.127 1.305 241 2HD1 LEU 30 HD12 LEU 30 6.400 -1.464 0.161 242 3HD1 LEU 30 HD13 LEU 30 5.018 -1.357 1.255 243 1HD2 LEU 30 HD21 LEU 30 6.461 -2.967 4.050 244 2HD2 LEU 30 HD22 LEU 30 5.410 -1.589 3.727 245 3HD2 LEU 30 HD23 LEU 30 5.153 -3.110 2.878 246 H MET 31 HN MET 31 8.923 -0.460 1.642 247 HA MET 31 HA MET 31 8.068 0.743 -0.786 248 1HB MET 31 HB2 MET 31 7.871 1.805 1.484 249 2HB MET 31 HB3 MET 31 9.613 2.049 1.459 250 1HG MET 31 HG2 MET 31 9.327 3.397 -0.608 251 2HG MET 31 HG3 MET 31 7.582 3.258 -0.395 252 1HE MET 31 HE1 MET 31 6.320 4.317 1.949 253 2HE MET 31 HE2 MET 31 7.451 3.207 2.723 254 3HE MET 31 HE3 MET 31 7.342 4.880 3.269 255 H ALA 32 HN ALA 32 11.152 -0.152 0.654 256 HA ALA 32 HA ALA 32 12.803 1.333 -1.130 257 1HB ALA 32 HB1 ALA 32 14.471 0.494 0.099 258 2HB ALA 32 HB2 ALA 32 13.216 -0.235 1.100 259 3HB ALA 32 HB3 ALA 32 13.963 -1.169 -0.195 260 H ALA 33 HN ALA 33 11.173 -1.741 -1.327 261 HA ALA 33 HA ALA 33 12.607 -2.809 -3.524 262 1HB ALA 33 HB1 ALA 33 11.064 -3.963 -1.816 263 2HB ALA 33 HB2 ALA 33 9.771 -3.514 -2.925 264 3HB ALA 33 HB3 ALA 33 11.090 -4.543 -3.482 265 H LEU 34 HN LEU 34 9.621 -0.923 -3.276 266 HA LEU 34 HA LEU 34 8.373 -1.059 -5.578 267 1HB LEU 34 HB2 LEU 34 9.217 1.394 -4.107 268 2HB LEU 34 HB3 LEU 34 8.362 1.563 -5.631 269 HG LEU 34 HG LEU 34 6.453 0.351 -4.757 270 1HD1 LEU 34 HD11 LEU 34 6.465 -0.216 -2.279 271 2HD1 LEU 34 HD12 LEU 34 7.377 -1.280 -3.350 272 3HD1 LEU 34 HD13 LEU 34 8.219 -0.079 -2.375 273 1HD2 LEU 34 HD21 LEU 34 5.762 1.883 -2.959 274 2HD2 LEU 34 HD22 LEU 34 7.418 2.475 -2.851 275 3HD2 LEU 34 HD23 LEU 34 6.486 2.729 -4.325 276 HA PRO 35 HA PRO 35 11.195 -1.072 -8.983 277 1HB PRO 35 HB2 PRO 35 8.815 -0.053 -10.445 278 2HB PRO 35 HB3 PRO 35 9.853 -1.437 -10.804 279 1HG PRO 35 HG2 PRO 35 7.411 -1.765 -9.762 280 2HG PRO 35 HG3 PRO 35 8.765 -2.811 -9.297 281 1HD PRO 35 HD2 PRO 35 7.472 -0.596 -7.794 282 2HD PRO 35 HD3 PRO 35 8.210 -2.095 -7.194 283 H ASN 36 HN ASN 36 9.169 1.736 -8.334 284 HA ASN 36 HA ASN 36 10.479 3.476 -10.158 285 1HB ASN 36 HB2 ASN 36 8.274 4.024 -9.516 286 2HB ASN 36 HB3 ASN 36 8.649 3.871 -7.808 287 1HD2 ASN 36 HD21 ASN 36 8.688 5.688 -6.794 288 2HD2 ASN 36 HD22 ASN 36 9.164 7.218 -7.424 289 H GLY 37 HN GLY 37 11.138 2.561 -6.849 290 1HA GLY 37 HA1 GLY 37 13.312 2.873 -5.898 291 2HA GLY 37 HA2 GLY 37 13.522 4.285 -6.926 292 HA PRO 38 HA PRO 38 12.073 6.739 -3.520 293 1HB PRO 38 HB2 PRO 38 11.070 8.920 -4.703 294 2HB PRO 38 HB3 PRO 38 12.793 8.536 -4.789 295 1HG PRO 38 HG2 PRO 38 10.663 8.178 -6.840 296 2HG PRO 38 HG3 PRO 38 12.357 8.653 -7.050 297 1HD PRO 38 HD2 PRO 38 11.328 6.100 -7.448 298 2HD PRO 38 HD3 PRO 38 13.042 6.484 -7.218 299 H ASP 39 HN ASP 39 10.328 4.710 -3.876 300 HA ASP 39 HA ASP 39 8.258 3.962 -3.638 301 1HB ASP 39 HB2 ASP 39 6.899 5.082 -1.999 302 2HB ASP 39 HB3 ASP 39 8.576 5.106 -1.497 303 H THR 40 HN THR 40 7.456 3.780 -5.594 304 HA THR 40 HA THR 40 6.493 5.804 -7.262 305 HB THR 40 HB THR 40 6.879 3.632 -8.195 306 HG1 THR 40 HG1 THR 40 5.264 3.943 -9.507 307 1HG2 THR 40 HG21 THR 40 5.219 1.761 -7.574 308 2HG2 THR 40 HG22 THR 40 4.930 2.708 -6.114 309 3HG2 THR 40 HG23 THR 40 6.549 2.100 -6.465 310 H THR 41 HN THR 41 4.576 6.846 -7.444 311 HA THR 41 HA THR 41 2.585 6.318 -5.352 312 HB THR 41 HB THR 41 2.819 8.769 -7.107 313 HG1 THR 41 HG1 THR 41 4.603 8.738 -5.760 314 1HG2 THR 41 HG21 THR 41 1.157 8.081 -4.691 315 2HG2 THR 41 HG22 THR 41 0.601 8.587 -6.288 316 3HG2 THR 41 HG23 THR 41 1.415 9.740 -5.230 317 H CYS 42 HN CYS 42 1.457 4.626 -6.307 318 HA CYS 42 HA CYS 42 0.517 4.690 -8.992 319 1HB CYS 42 HB2 CYS 42 -0.497 3.032 -6.670 320 2HB CYS 42 HB3 CYS 42 -0.784 2.712 -8.378 321 HG CYS 42 HG CYS 42 1.276 1.119 -6.854 322 H LYS 43 HN LYS 43 -0.222 7.085 -8.355 323 HA LYS 43 HA LYS 43 -2.790 7.286 -7.115 324 1HB LYS 43 HB2 LYS 43 -2.704 9.643 -7.866 325 2HB LYS 43 HB3 LYS 43 -1.252 9.157 -6.996 326 1HG LYS 43 HG2 LYS 43 -0.069 8.892 -9.115 327 2HG LYS 43 HG3 LYS 43 -1.526 9.363 -9.991 328 1HD LYS 43 HD2 LYS 43 -1.475 11.552 -8.903 329 2HD LYS 43 HD3 LYS 43 -0.029 11.079 -8.010 330 1HE LYS 43 HE2 LYS 43 0.538 12.455 -9.945 331 2HE LYS 43 HE3 LYS 43 1.194 10.827 -10.104 332 1HZ LYS 43 HZ1 LYS 43 -1.410 11.040 -11.252 333 2HZ LYS 43 HZ2 LYS 43 0.032 10.497 -11.952 334 3HZ LYS 43 HZ3 LYS 43 -0.335 12.148 -11.946 335 H SER 44 HN SER 44 -4.745 7.141 -7.996 336 HA SER 44 HA SER 44 -4.994 6.379 -10.767 337 1HB SER 44 HB2 SER 44 -7.423 6.135 -10.182 338 2HB SER 44 HB3 SER 44 -6.340 5.181 -9.170 339 HG SER 44 HG SER 44 -8.076 7.110 -8.457 340 H GLY 45 HN GLY 45 -4.431 8.275 -11.895 341 1HA GLY 45 HA1 GLY 45 -4.965 10.161 -13.094 342 2HA GLY 45 HA2 GLY 45 -6.610 9.984 -12.506 343 H ASP 46 HN ASP 46 -6.607 10.470 -9.931 344 HA ASP 46 HA ASP 46 -5.105 12.961 -9.517 345 1HB ASP 46 HB2 ASP 46 -7.399 13.531 -10.193 346 2HB ASP 46 HB3 ASP 46 -8.035 12.526 -8.894 347 H VAL 47 HN VAL 47 -7.061 10.421 -7.990 348 HA VAL 47 HA VAL 47 -6.234 10.972 -5.335 349 HB VAL 47 HB VAL 47 -7.213 8.342 -6.468 350 1HG1 VAL 47 HG11 VAL 47 -7.854 9.116 -3.704 351 2HG1 VAL 47 HG12 VAL 47 -7.376 7.554 -4.367 352 3HG1 VAL 47 HG13 VAL 47 -6.153 8.773 -4.013 353 1HG2 VAL 47 HG21 VAL 47 -8.584 10.665 -6.602 354 2HG2 VAL 47 HG22 VAL 47 -9.342 9.083 -6.422 355 3HG2 VAL 47 HG23 VAL 47 -9.071 10.098 -5.005 356 H GLU 48 HN GLU 48 -4.407 10.406 -4.256 357 HA GLU 48 HA GLU 48 -2.557 8.575 -5.638 358 1HB GLU 48 HB2 GLU 48 -1.654 10.595 -3.611 359 2HB GLU 48 HB3 GLU 48 -0.720 9.788 -4.860 360 1HG GLU 48 HG2 GLU 48 -0.925 11.977 -5.610 361 2HG GLU 48 HG3 GLU 48 -2.132 11.082 -6.532 362 H LEU 49 HN LEU 49 -1.797 6.840 -4.612 363 HA LEU 49 HA LEU 49 -2.015 6.626 -1.710 364 1HB LEU 49 HB2 LEU 49 -3.321 4.730 -3.656 365 2HB LEU 49 HB3 LEU 49 -2.950 4.279 -2.004 366 HG LEU 49 HG LEU 49 -5.252 4.858 -2.097 367 1HD1 LEU 49 HD11 LEU 49 -3.717 7.146 -0.881 368 2HD1 LEU 49 HD12 LEU 49 -5.384 6.704 -0.513 369 3HD1 LEU 49 HD13 LEU 49 -4.069 5.600 -0.111 370 1HD2 LEU 49 HD21 LEU 49 -4.496 6.624 -4.111 371 2HD2 LEU 49 HD22 LEU 49 -6.118 6.365 -3.473 372 3HD2 LEU 49 HD23 LEU 49 -5.106 7.646 -2.811 373 H LYS 50 HN LYS 50 -0.373 5.507 -0.819 374 HA LYS 50 HA LYS 50 1.043 3.433 -2.094 375 1HB LYS 50 HB2 LYS 50 3.229 4.581 -2.378 376 2HB LYS 50 HB3 LYS 50 1.994 5.139 -3.496 377 1HG LYS 50 HG2 LYS 50 1.661 7.142 -2.212 378 2HG LYS 50 HG3 LYS 50 2.766 6.565 -0.962 379 1HD LYS 50 HD2 LYS 50 4.623 6.648 -2.499 380 2HD LYS 50 HD3 LYS 50 3.548 7.068 -3.832 381 1HE LYS 50 HE2 LYS 50 3.006 9.175 -2.768 382 2HE LYS 50 HE3 LYS 50 3.995 8.751 -1.371 383 1HZ LYS 50 HZ1 LYS 50 4.796 9.707 -3.992 384 2HZ LYS 50 HZ2 LYS 50 5.768 8.488 -3.336 385 3HZ LYS 50 HZ3 LYS 50 5.532 9.931 -2.485 386 H ALA 51 HN ALA 51 3.381 3.310 -0.894 387 HA ALA 51 HA ALA 51 2.722 2.736 1.790 388 1HB ALA 51 HB1 ALA 51 5.128 2.207 2.033 389 2HB ALA 51 HB2 ALA 51 4.374 1.429 0.642 390 3HB ALA 51 HB3 ALA 51 5.397 2.847 0.412 391 H SER 52 HN SER 52 4.580 5.385 0.333 392 HA SER 52 HA SER 52 5.477 6.497 2.753 393 1HB SER 52 HB2 SER 52 6.496 7.082 0.630 394 2HB SER 52 HB3 SER 52 4.995 7.832 0.084 395 HG SER 52 HG SER 52 6.904 9.056 1.264 396 H ASP 53 HN ASP 53 2.753 7.572 0.689 397 HA ASP 53 HA ASP 53 1.838 9.448 2.623 398 1HB ASP 53 HB2 ASP 53 0.515 8.317 0.158 399 2HB ASP 53 HB3 ASP 53 -0.182 9.598 1.144 400 H ALA 54 HN ALA 54 0.702 6.212 1.676 401 HA ALA 54 HA ALA 54 -1.354 6.299 3.730 402 1HB ALA 54 HB1 ALA 54 -0.721 3.965 1.954 403 2HB ALA 54 HB2 ALA 54 -2.235 4.341 2.774 404 3HB ALA 54 HB3 ALA 54 -1.696 5.333 1.418 405 H GLY 55 HN GLY 55 1.467 4.243 2.969 406 1HA GLY 55 HA1 GLY 55 1.374 2.419 4.991 407 2HA GLY 55 HA2 GLY 55 2.880 3.089 4.394 408 H GLN 56 HN GLN 56 2.123 5.809 5.356 409 HA GLN 56 HA GLN 56 3.501 6.006 7.683 410 1HB GLN 56 HB2 GLN 56 2.134 8.049 8.174 411 2HB GLN 56 HB3 GLN 56 2.795 7.990 6.544 412 1HG GLN 56 HG2 GLN 56 0.621 7.228 5.714 413 2HG GLN 56 HG3 GLN 56 -0.025 7.319 7.351 414 1HE2 GLN 56 HE21 GLN 56 -1.184 9.055 7.702 415 2HE2 GLN 56 HE22 GLN 56 -0.938 10.614 6.998 416 H VAL 57 HN VAL 57 0.138 5.101 7.338 417 HA VAL 57 HA VAL 57 -0.599 5.265 10.047 418 HB VAL 57 HB VAL 57 -2.535 3.924 9.423 419 1HG1 VAL 57 HG11 VAL 57 -2.860 5.345 7.097 420 2HG1 VAL 57 HG12 VAL 57 -3.158 5.960 8.723 421 3HG1 VAL 57 HG13 VAL 57 -1.605 6.263 7.936 422 1HG2 VAL 57 HG21 VAL 57 -2.638 3.220 6.946 423 2HG2 VAL 57 HG22 VAL 57 -0.878 3.320 6.997 424 3HG2 VAL 57 HG23 VAL 57 -1.727 2.208 8.066 425 H LEU 58 HN LEU 58 0.941 2.707 8.186 426 HA LEU 58 HA LEU 58 0.537 0.609 10.027 427 1HB LEU 58 HB2 LEU 58 2.919 0.918 8.202 428 2HB LEU 58 HB3 LEU 58 2.254 -0.571 8.844 429 HG LEU 58 HG LEU 58 0.950 1.229 6.801 430 1HD1 LEU 58 HD11 LEU 58 2.923 -0.633 6.430 431 2HD1 LEU 58 HD12 LEU 58 1.455 -1.565 6.136 432 3HD1 LEU 58 HD13 LEU 58 1.770 -0.099 5.207 433 1HD2 LEU 58 HD21 LEU 58 -0.411 -1.179 6.870 434 2HD2 LEU 58 HD22 LEU 58 -0.159 -0.783 8.571 435 3HD2 LEU 58 HD23 LEU 58 -0.975 0.363 7.509 436 H THR 59 HN THR 59 1.368 0.282 11.983 437 HA THR 59 HA THR 59 3.284 2.094 13.095 438 HB THR 59 HB THR 59 3.089 0.754 15.147 439 HG1 THR 59 HG1 THR 59 1.345 -0.903 13.617 440 1HG2 THR 59 HG21 THR 59 1.263 2.423 14.187 441 2HG2 THR 59 HG22 THR 59 1.011 1.538 15.691 442 3HG2 THR 59 HG23 THR 59 0.280 0.959 14.195 443 H ALA 60 HN ALA 60 5.306 1.501 14.078 444 HA ALA 60 HA ALA 60 7.091 0.214 12.420 445 1HB ALA 60 HB1 ALA 60 7.725 0.097 15.301 446 2HB ALA 60 HB2 ALA 60 8.665 0.740 13.954 447 3HB ALA 60 HB3 ALA 60 7.348 1.690 14.645 448 H ASP 61 HN ASP 61 5.310 -1.131 15.169 449 HA ASP 61 HA ASP 61 6.553 -3.623 15.307 450 1HB ASP 61 HB2 ASP 61 3.657 -2.940 15.857 451 2HB ASP 61 HB3 ASP 61 4.477 -4.405 16.390 452 H ASP 62 HN ASP 62 4.417 -2.339 12.940 453 HA ASP 62 HA ASP 62 3.334 -4.751 11.935 454 1HB ASP 62 HB2 ASP 62 3.758 -2.131 10.495 455 2HB ASP 62 HB3 ASP 62 2.685 -3.431 9.997 456 H PHE 63 HN PHE 63 6.528 -3.987 11.974 457 HA PHE 63 HA PHE 63 7.572 -4.149 9.492 458 1HB PHE 63 HB2 PHE 63 8.468 -5.031 12.128 459 2HB PHE 63 HB3 PHE 63 9.186 -5.958 10.816 460 HD1 PHE 63 HD1 PHE 63 8.295 -2.353 11.192 461 HD2 PHE 63 HD2 PHE 63 11.313 -5.247 10.425 462 HE1 PHE 63 HE1 PHE 63 9.917 -0.548 10.805 463 HE2 PHE 63 HE2 PHE 63 12.944 -3.450 10.038 464 HZ PHE 63 HZ PHE 63 12.249 -1.094 10.226 465 HA PRO 64 HA PRO 64 7.225 -8.909 9.075 466 1HB PRO 64 HB2 PRO 64 5.990 -10.324 11.027 467 2HB PRO 64 HB3 PRO 64 7.719 -9.957 11.058 468 1HG PRO 64 HG2 PRO 64 5.469 -8.592 12.487 469 2HG PRO 64 HG3 PRO 64 7.070 -9.049 13.100 470 1HD PRO 64 HD2 PRO 64 6.468 -6.523 12.323 471 2HD PRO 64 HD3 PRO 64 8.094 -7.214 12.151 472 H PHE 65 HN PHE 65 5.657 -7.613 7.729 473 HA PHE 65 HA PHE 65 2.862 -7.784 8.349 474 1HB PHE 65 HB2 PHE 65 4.523 -6.542 6.327 475 2HB PHE 65 HB3 PHE 65 3.123 -7.329 5.602 476 HD1 PHE 65 HD1 PHE 65 4.289 -4.465 7.468 477 HD2 PHE 65 HD2 PHE 65 0.861 -6.717 6.378 478 HE1 PHE 65 HE1 PHE 65 2.848 -2.560 8.053 479 HE2 PHE 65 HE2 PHE 65 -0.589 -4.835 6.953 480 HZ PHE 65 HZ PHE 65 0.403 -2.742 7.796 481 H LYS 66 HN LYS 66 1.330 -9.137 7.501 482 HA LYS 66 HA LYS 66 2.148 -11.747 6.747 483 1HB LYS 66 HB2 LYS 66 -0.570 -10.440 6.702 484 2HB LYS 66 HB3 LYS 66 -0.291 -12.144 6.391 485 1HG LYS 66 HG2 LYS 66 0.340 -10.695 8.954 486 2HG LYS 66 HG3 LYS 66 -1.039 -11.760 8.676 487 1HD LYS 66 HD2 LYS 66 1.869 -12.559 8.541 488 2HD LYS 66 HD3 LYS 66 0.761 -12.913 9.869 489 1HE LYS 66 HE2 LYS 66 0.503 -13.881 7.023 490 2HE LYS 66 HE3 LYS 66 1.011 -14.845 8.408 491 1HZ LYS 66 HZ1 LYS 66 -1.650 -13.568 8.080 492 2HZ LYS 66 HZ2 LYS 66 -1.162 -14.504 9.401 493 3HZ LYS 66 HZ3 LYS 66 -1.315 -15.214 7.873 494 H SER 67 HN SER 67 3.503 -10.923 4.954 495 HA SER 67 HA SER 67 3.978 -10.761 2.760 496 1HB SER 67 HB2 SER 67 1.298 -12.103 2.427 497 2HB SER 67 HB3 SER 67 2.555 -11.996 1.194 498 HG SER 67 HG SER 67 3.148 -13.830 2.053 499 H ALA 68 HN ALA 68 3.453 -9.746 0.719 500 HA ALA 68 HA ALA 68 2.590 -7.143 0.955 501 1HB ALA 68 HB1 ALA 68 2.188 -7.601 -1.682 502 2HB ALA 68 HB2 ALA 68 3.766 -7.315 -0.947 503 3HB ALA 68 HB3 ALA 68 3.221 -8.963 -1.253 504 H GLU 69 HN GLU 69 0.686 -9.995 0.414 505 HA GLU 69 HA GLU 69 -1.594 -8.833 -0.695 506 1HB GLU 69 HB2 GLU 69 -2.809 -10.784 0.229 507 2HB GLU 69 HB3 GLU 69 -1.345 -11.228 -0.636 508 1HG GLU 69 HG2 GLU 69 -0.192 -11.393 1.537 509 2HG GLU 69 HG3 GLU 69 -1.732 -11.076 2.329 510 H GLU 70 HN GLU 70 -0.798 -9.353 2.795 511 HA GLU 70 HA GLU 70 -3.225 -8.077 3.563 512 1HB GLU 70 HB2 GLU 70 -2.730 -8.555 5.741 513 2HB GLU 70 HB3 GLU 70 -1.806 -9.795 4.910 514 1HG GLU 70 HG2 GLU 70 0.144 -8.995 5.636 515 2HG GLU 70 HG3 GLU 70 -0.330 -7.324 5.361 516 H VAL 71 HN VAL 71 0.061 -7.016 3.114 517 HA VAL 71 HA VAL 71 -0.175 -4.495 4.355 518 HB VAL 71 HB VAL 71 1.537 -5.227 1.988 519 1HG1 VAL 71 HG11 VAL 71 1.313 -2.832 3.688 520 2HG1 VAL 71 HG12 VAL 71 2.953 -3.410 3.393 521 3HG1 VAL 71 HG13 VAL 71 1.906 -3.000 2.035 522 1HG2 VAL 71 HG21 VAL 71 2.775 -5.128 4.617 523 2HG2 VAL 71 HG22 VAL 71 1.548 -6.385 4.473 524 3HG2 VAL 71 HG23 VAL 71 2.903 -6.345 3.357 525 H ALA 72 HN ALA 72 -0.995 -5.649 1.144 526 HA ALA 72 HA ALA 72 -1.492 -3.130 -0.016 527 1HB ALA 72 HB1 ALA 72 -1.498 -4.503 -1.768 528 2HB ALA 72 HB2 ALA 72 -1.811 -5.910 -0.752 529 3HB ALA 72 HB3 ALA 72 -3.153 -4.924 -1.331 530 H ASP 73 HN ASP 73 -3.798 -5.585 1.187 531 HA ASP 73 HA ASP 73 -6.077 -3.945 0.950 532 1HB ASP 73 HB2 ASP 73 -5.611 -6.322 2.760 533 2HB ASP 73 HB3 ASP 73 -7.182 -5.614 2.397 534 H THR 74 HN THR 74 -3.930 -4.585 3.673 535 HA THR 74 HA THR 74 -5.318 -3.328 5.709 536 HB THR 74 HB THR 74 -2.334 -3.543 5.275 537 HG1 THR 74 HG1 THR 74 -3.528 -5.523 5.499 538 1HG2 THR 74 HG21 THR 74 -3.790 -2.917 7.844 539 2HG2 THR 74 HG22 THR 74 -2.891 -1.741 6.886 540 3HG2 THR 74 HG23 THR 74 -2.049 -3.099 7.633 541 H ILE 75 HN ILE 75 -2.920 -1.893 3.497 542 HA ILE 75 HA ILE 75 -3.009 0.683 4.622 543 HB ILE 75 HB ILE 75 -2.199 -0.201 1.853 544 1HG1 ILE 75 HG12 ILE 75 -0.569 0.532 4.296 545 2HG1 ILE 75 HG13 ILE 75 -0.882 -1.109 3.751 546 1HG2 ILE 75 HG21 ILE 75 -1.051 1.964 1.682 547 2HG2 ILE 75 HG22 ILE 75 -2.800 2.152 1.802 548 3HG2 ILE 75 HG23 ILE 75 -1.781 2.461 3.208 549 1HD1 ILE 75 HD11 ILE 75 0.381 0.802 1.860 550 2HD1 ILE 75 HD12 ILE 75 1.352 0.117 3.164 551 3HD1 ILE 75 HD13 ILE 75 0.567 -0.947 1.995 552 H VAL 76 HN VAL 76 -4.690 -0.594 1.717 553 HA VAL 76 HA VAL 76 -5.985 1.736 0.982 554 HB VAL 76 HB VAL 76 -7.916 0.141 0.231 555 1HG1 VAL 76 HG11 VAL 76 -6.114 -0.774 -1.546 556 2HG1 VAL 76 HG12 VAL 76 -6.764 0.865 -1.561 557 3HG1 VAL 76 HG13 VAL 76 -5.200 0.546 -0.820 558 1HG2 VAL 76 HG21 VAL 76 -6.782 -2.176 -0.190 559 2HG2 VAL 76 HG22 VAL 76 -5.847 -1.758 1.241 560 3HG2 VAL 76 HG23 VAL 76 -7.604 -1.851 1.338 561 H ASN 77 HN ASN 77 -6.888 -0.555 3.508 562 HA ASN 77 HA ASN 77 -9.434 0.523 4.057 563 1HB ASN 77 HB2 ASN 77 -7.514 -0.976 5.849 564 2HB ASN 77 HB3 ASN 77 -9.177 -0.594 6.283 565 1HD2 ASN 77 HD21 ASN 77 -7.339 -3.023 5.335 566 2HD2 ASN 77 HD22 ASN 77 -8.458 -3.940 4.390 567 H LYS 78 HN LYS 78 -6.295 1.086 5.648 568 HA LYS 78 HA LYS 78 -7.288 3.094 7.393 569 1HB LYS 78 HB2 LYS 78 -4.462 2.476 6.526 570 2HB LYS 78 HB3 LYS 78 -4.902 3.530 7.864 571 1HG LYS 78 HG2 LYS 78 -5.957 1.642 9.006 572 2HG LYS 78 HG3 LYS 78 -5.507 0.587 7.665 573 1HD LYS 78 HD2 LYS 78 -3.166 0.945 8.106 574 2HD LYS 78 HD3 LYS 78 -3.546 2.134 9.354 575 1HE LYS 78 HE2 LYS 78 -2.954 -0.022 10.335 576 2HE LYS 78 HE3 LYS 78 -4.628 0.403 10.688 577 1HZ LYS 78 HZ1 LYS 78 -3.721 -1.936 9.565 578 2HZ LYS 78 HZ2 LYS 78 -4.437 -1.099 8.281 579 3HZ LYS 78 HZ3 LYS 78 -5.330 -1.426 9.680 580 H ALA 79 HN ALA 79 -5.562 3.192 4.307 581 HA ALA 79 HA ALA 79 -5.203 5.994 4.247 582 1HB ALA 79 HB1 ALA 79 -4.202 3.984 2.797 583 2HB ALA 79 HB2 ALA 79 -5.434 4.560 1.675 584 3HB ALA 79 HB3 ALA 79 -4.186 5.662 2.255 585 H GLY 80 HN GLY 80 -7.887 3.941 3.298 586 1HA GLY 80 HA1 GLY 80 -9.920 5.665 3.435 587 2HA GLY 80 HA2 GLY 80 -9.193 6.140 1.905 588 H LEU 81 HN LEU 81 -8.560 3.941 0.659 589 HA LEU 81 HA LEU 81 -11.040 2.942 -0.258 590 1HB LEU 81 HB2 LEU 81 -8.311 1.787 -0.793 591 2HB LEU 81 HB3 LEU 81 -9.741 1.664 -1.804 592 HG LEU 81 HG LEU 81 -8.435 4.313 -1.202 593 1HD1 LEU 81 HD11 LEU 81 -6.822 2.728 -2.273 594 2HD1 LEU 81 HD12 LEU 81 -7.941 2.586 -3.626 595 3HD1 LEU 81 HD13 LEU 81 -7.209 4.143 -3.251 596 1HD2 LEU 81 HD21 LEU 81 -9.563 4.500 -3.645 597 2HD2 LEU 81 HD22 LEU 81 -10.651 3.339 -2.881 598 3HD2 LEU 81 HD23 LEU 81 -10.389 4.920 -2.144 Start of MODEL 18 1 1H GLY -3 HT1 GLY -3 -26.776 -10.852 -2.393 2 2H GLY -3 HT2 GLY -3 -25.423 -11.776 -2.811 3 3H GLY -3 HT3 GLY -3 -25.954 -10.541 -3.838 4 1HA GLY -3 HA2 GLY -3 -25.488 -8.922 -2.019 5 2HA GLY -3 HA1 GLY -3 -24.723 -10.248 -1.157 6 H SER -2 HN SER -2 -23.843 -7.627 -2.579 7 HA SER -2 HA SER -2 -21.236 -8.437 -3.185 8 1HB SER -2 HB2 SER -2 -22.219 -9.472 -5.173 9 2HB SER -2 HB3 SER -2 -22.961 -7.938 -5.623 10 HG SER -2 HG SER -2 -20.166 -8.294 -5.314 11 H HIS -1 HN HIS -1 -23.769 -6.107 -4.035 12 HA HIS -1 HA HIS -1 -22.111 -3.913 -4.549 13 1HB HIS -1 HB2 HIS -1 -24.924 -3.950 -3.435 14 2HB HIS -1 HB3 HIS -1 -24.119 -2.535 -4.104 15 HD1 HIS -1 HD1 HIS -1 -23.138 -3.201 -6.721 16 HD2 HIS -1 HD2 HIS -1 -26.579 -5.022 -5.267 17 HE1 HIS -1 HE1 HIS -1 -24.370 -4.027 -8.751 18 HE2 HIS -1 HE2 HIS -1 -26.489 -5.052 -7.852 19 H MET 1 HN MET 1 -21.000 -2.557 -3.297 20 HA MET 1 HA MET 1 -21.636 -1.749 -0.707 21 1HB MET 1 HB2 MET 1 -21.158 -4.063 -0.060 22 2HB MET 1 HB3 MET 1 -19.568 -3.956 -0.802 23 1HG MET 1 HG2 MET 1 -18.931 -2.236 0.810 24 2HG MET 1 HG3 MET 1 -20.526 -2.345 1.554 25 1HE MET 1 HE1 MET 1 -17.269 -4.210 0.660 26 2HE MET 1 HE2 MET 1 -17.362 -5.697 1.604 27 3HE MET 1 HE3 MET 1 -18.413 -5.472 0.205 28 H LYS 2 HN LYS 2 -18.904 -2.617 -2.789 29 HA LYS 2 HA LYS 2 -18.045 0.014 -3.201 30 1HB LYS 2 HB2 LYS 2 -17.426 -0.100 -0.810 31 2HB LYS 2 HB3 LYS 2 -16.409 -1.492 -1.150 32 1HG LYS 2 HG2 LYS 2 -15.048 -0.074 -2.656 33 2HG LYS 2 HG3 LYS 2 -16.024 1.313 -2.169 34 1HD LYS 2 HD2 LYS 2 -15.353 0.915 0.178 35 2HD LYS 2 HD3 LYS 2 -14.315 -0.402 -0.368 36 1HE LYS 2 HE2 LYS 2 -14.067 2.516 -1.084 37 2HE LYS 2 HE3 LYS 2 -12.988 1.587 -0.045 38 1HZ LYS 2 HZ1 LYS 2 -11.811 1.151 -1.846 39 2HZ LYS 2 HZ2 LYS 2 -12.967 1.845 -2.867 40 3HZ LYS 2 HZ3 LYS 2 -13.093 0.216 -2.432 41 H MET 3 HN MET 3 -17.099 -0.127 -5.118 42 HA MET 3 HA MET 3 -15.075 -2.133 -5.649 43 1HB MET 3 HB2 MET 3 -17.655 -1.994 -7.216 44 2HB MET 3 HB3 MET 3 -16.209 -2.787 -7.816 45 1HG MET 3 HG2 MET 3 -17.333 -3.598 -5.179 46 2HG MET 3 HG3 MET 3 -18.103 -4.150 -6.660 47 1HE MET 3 HE1 MET 3 -14.840 -3.854 -4.694 48 2HE MET 3 HE2 MET 3 -13.838 -5.180 -5.276 49 3HE MET 3 HE3 MET 3 -14.032 -3.727 -6.255 50 H GLY 4 HN GLY 4 -13.535 -1.397 -6.976 51 1HA GLY 4 HA1 GLY 4 -13.816 0.295 -9.146 52 2HA GLY 4 HA2 GLY 4 -13.560 1.336 -7.755 53 H VAL 5 HN VAL 5 -11.562 2.083 -8.174 54 HA VAL 5 HA VAL 5 -9.447 0.377 -9.073 55 HB VAL 5 HB VAL 5 -9.711 2.907 -9.490 56 1HG1 VAL 5 HG11 VAL 5 -9.706 3.369 -6.981 57 2HG1 VAL 5 HG12 VAL 5 -7.963 3.076 -7.057 58 3HG1 VAL 5 HG13 VAL 5 -8.682 4.403 -7.980 59 1HG2 VAL 5 HG21 VAL 5 -7.257 3.201 -9.708 60 2HG2 VAL 5 HG22 VAL 5 -7.063 1.648 -8.904 61 3HG2 VAL 5 HG23 VAL 5 -7.898 1.742 -10.456 62 H LYS 6 HN LYS 6 -10.826 0.761 -6.050 63 HA LYS 6 HA LYS 6 -8.794 1.082 -4.254 64 1HB LYS 6 HB2 LYS 6 -11.050 0.663 -3.496 65 2HB LYS 6 HB3 LYS 6 -11.047 -0.942 -4.210 66 1HG LYS 6 HG2 LYS 6 -9.164 -1.490 -2.592 67 2HG LYS 6 HG3 LYS 6 -9.584 0.016 -1.775 68 1HD LYS 6 HD2 LYS 6 -11.790 -0.763 -1.310 69 2HD LYS 6 HD3 LYS 6 -11.562 -2.185 -2.329 70 1HE LYS 6 HE2 LYS 6 -10.045 -1.580 0.208 71 2HE LYS 6 HE3 LYS 6 -11.382 -2.720 0.062 72 1HZ LYS 6 HZ1 LYS 6 -9.963 -3.857 -1.679 73 2HZ LYS 6 HZ2 LYS 6 -9.445 -4.000 -0.076 74 3HZ LYS 6 HZ3 LYS 6 -8.676 -2.913 -1.118 75 H GLU 7 HN GLU 7 -9.725 -1.946 -5.840 76 HA GLU 7 HA GLU 7 -7.349 -3.304 -4.939 77 1HB GLU 7 HB2 GLU 7 -9.478 -4.122 -6.935 78 2HB GLU 7 HB3 GLU 7 -8.180 -5.165 -6.369 79 1HG GLU 7 HG2 GLU 7 -9.040 -4.981 -4.083 80 2HG GLU 7 HG3 GLU 7 -10.355 -3.964 -4.669 81 H ASP 8 HN ASP 8 -8.307 -1.459 -7.752 82 HA ASP 8 HA ASP 8 -6.426 -2.498 -9.572 83 1HB ASP 8 HB2 ASP 8 -8.328 -1.320 -10.384 84 2HB ASP 8 HB3 ASP 8 -7.838 0.121 -9.529 85 H ILE 9 HN ILE 9 -6.317 0.482 -7.644 86 HA ILE 9 HA ILE 9 -3.667 1.190 -8.347 87 HB ILE 9 HB ILE 9 -5.555 2.007 -6.151 88 1HG1 ILE 9 HG12 ILE 9 -4.119 3.549 -8.318 89 2HG1 ILE 9 HG13 ILE 9 -5.786 3.002 -8.382 90 1HG2 ILE 9 HG21 ILE 9 -3.335 1.876 -5.094 91 2HG2 ILE 9 HG22 ILE 9 -2.700 2.957 -6.333 92 3HG2 ILE 9 HG23 ILE 9 -3.933 3.530 -5.210 93 1HD1 ILE 9 HD11 ILE 9 -4.577 5.227 -6.842 94 2HD1 ILE 9 HD12 ILE 9 -6.091 5.163 -7.746 95 3HD1 ILE 9 HD13 ILE 9 -5.978 4.396 -6.162 96 H ARG 10 HN ARG 10 -5.152 -0.568 -5.670 97 HA ARG 10 HA ARG 10 -2.800 -1.116 -4.214 98 1HB ARG 10 HB2 ARG 10 -5.431 -1.585 -3.801 99 2HB ARG 10 HB3 ARG 10 -4.939 -3.186 -4.330 100 1HG ARG 10 HG2 ARG 10 -4.715 -3.331 -2.066 101 2HG ARG 10 HG3 ARG 10 -3.072 -2.900 -2.550 102 1HD ARG 10 HD2 ARG 10 -5.111 -1.388 -1.072 103 2HD ARG 10 HD3 ARG 10 -3.372 -1.427 -0.853 104 HE ARG 10 HE ARG 10 -3.999 -0.077 -3.253 105 1HH1 ARG 10 HH12 ARG 10 -4.124 0.333 0.194 106 2HH1 ARG 10 HH11 ARG 10 -4.103 2.061 0.115 107 1HH2 ARG 10 HH22 ARG 10 -3.959 2.195 -3.361 108 2HH2 ARG 10 HH21 ARG 10 -4.001 3.113 -1.896 109 H GLY 11 HN GLY 11 -4.148 -2.386 -7.141 110 1HA GLY 11 HA1 GLY 11 -2.738 -4.853 -7.248 111 2HA GLY 11 HA2 GLY 11 -3.348 -3.954 -8.641 112 H GLN 12 HN GLN 12 -2.053 -1.582 -8.295 113 HA GLN 12 HA GLN 12 0.486 -2.072 -9.444 114 1HB GLN 12 HB2 GLN 12 -0.627 0.448 -8.182 115 2HB GLN 12 HB3 GLN 12 0.804 0.370 -9.200 116 1HG GLN 12 HG2 GLN 12 -0.617 -0.438 -11.055 117 2HG GLN 12 HG3 GLN 12 -2.026 -0.224 -10.017 118 1HE2 GLN 12 HE21 GLN 12 -3.089 1.570 -10.392 119 2HE2 GLN 12 HE22 GLN 12 -2.415 3.070 -10.922 120 H ILE 13 HN ILE 13 -0.677 -1.657 -6.205 121 HA ILE 13 HA ILE 13 1.835 -1.069 -4.978 122 HB ILE 13 HB ILE 13 -0.733 -2.078 -3.754 123 1HG1 ILE 13 HG12 ILE 13 0.383 0.723 -3.993 124 2HG1 ILE 13 HG13 ILE 13 -0.998 0.083 -4.879 125 1HG2 ILE 13 HG21 ILE 13 0.264 -2.146 -1.773 126 2HG2 ILE 13 HG22 ILE 13 1.807 -1.939 -2.603 127 3HG2 ILE 13 HG23 ILE 13 0.936 -0.531 -1.994 128 1HD1 ILE 13 HD11 ILE 13 -1.745 -0.392 -2.315 129 2HD1 ILE 13 HD12 ILE 13 -0.819 1.101 -2.145 130 3HD1 ILE 13 HD13 ILE 13 -2.191 1.035 -3.253 131 H ILE 14 HN ILE 14 -0.160 -3.996 -5.295 132 HA ILE 14 HA ILE 14 1.401 -5.710 -3.751 133 HB ILE 14 HB ILE 14 -0.398 -6.211 -6.108 134 1HG1 ILE 14 HG12 ILE 14 -1.508 -5.541 -4.063 135 2HG1 ILE 14 HG13 ILE 14 -1.820 -7.251 -4.347 136 1HG2 ILE 14 HG21 ILE 14 -0.190 -8.671 -5.039 137 2HG2 ILE 14 HG22 ILE 14 0.776 -8.125 -6.410 138 3HG2 ILE 14 HG23 ILE 14 1.457 -8.092 -4.782 139 1HD1 ILE 14 HD11 ILE 14 0.192 -7.632 -2.779 140 2HD1 ILE 14 HD12 ILE 14 -0.101 -5.966 -2.279 141 3HD1 ILE 14 HD13 ILE 14 -1.369 -7.177 -2.094 142 H GLY 15 HN GLY 15 1.517 -5.223 -7.294 143 1HA GLY 15 HA1 GLY 15 3.788 -6.863 -7.702 144 2HA GLY 15 HA2 GLY 15 3.216 -5.613 -8.802 145 H ALA 16 HN ALA 16 3.366 -3.478 -6.950 146 HA ALA 16 HA ALA 16 6.024 -2.624 -7.333 147 1HB ALA 16 HB1 ALA 16 5.187 -0.824 -5.602 148 2HB ALA 16 HB2 ALA 16 4.556 -0.867 -7.247 149 3HB ALA 16 HB3 ALA 16 3.618 -1.566 -5.923 150 H LEU 17 HN LEU 17 4.478 -4.365 -4.777 151 HA LEU 17 HA LEU 17 6.492 -3.793 -2.793 152 1HB LEU 17 HB2 LEU 17 4.069 -5.574 -2.887 153 2HB LEU 17 HB3 LEU 17 5.191 -5.611 -1.545 154 HG LEU 17 HG LEU 17 3.804 -3.078 -2.402 155 1HD1 LEU 17 HD11 LEU 17 1.903 -3.665 -1.405 156 2HD1 LEU 17 HD12 LEU 17 2.505 -5.321 -1.409 157 3HD1 LEU 17 HD13 LEU 17 2.753 -4.295 0.004 158 1HD2 LEU 17 HD21 LEU 17 4.811 -2.114 -0.649 159 2HD2 LEU 17 HD22 LEU 17 4.530 -3.503 0.402 160 3HD2 LEU 17 HD23 LEU 17 5.906 -3.494 -0.701 161 H ALA 18 HN ALA 18 5.734 -6.246 -5.133 162 HA ALA 18 HA ALA 18 7.235 -8.384 -4.140 163 1HB ALA 18 HB1 ALA 18 5.878 -8.944 -5.926 164 2HB ALA 18 HB2 ALA 18 6.395 -7.561 -6.889 165 3HB ALA 18 HB3 ALA 18 7.476 -8.936 -6.669 166 H GLY 19 HN GLY 19 9.350 -8.656 -3.819 167 1HA GLY 19 HA1 GLY 19 11.552 -8.543 -5.046 168 2HA GLY 19 HA2 GLY 19 11.198 -6.833 -5.233 169 H ALA 20 HN ALA 20 10.094 -6.517 -2.563 170 HA ALA 20 HA ALA 20 12.333 -5.683 -1.161 171 1HB ALA 20 HB1 ALA 20 9.724 -5.361 -0.791 172 2HB ALA 20 HB2 ALA 20 10.010 -6.600 0.431 173 3HB ALA 20 HB3 ALA 20 10.900 -5.078 0.492 174 H ASP 21 HN ASP 21 12.468 -6.550 1.313 175 HA ASP 21 HA ASP 21 13.947 -8.958 1.185 176 1HB ASP 21 HB2 ASP 21 12.929 -7.183 3.377 177 2HB ASP 21 HB3 ASP 21 13.567 -8.775 3.805 178 H PHE 22 HN PHE 22 11.944 -9.423 3.890 179 HA PHE 22 HA PHE 22 10.786 -11.758 2.798 180 1HB PHE 22 HB2 PHE 22 9.590 -11.986 4.839 181 2HB PHE 22 HB3 PHE 22 11.073 -11.180 5.301 182 HD1 PHE 22 HD1 PHE 22 10.733 -9.633 7.014 183 HD2 PHE 22 HD2 PHE 22 7.765 -10.053 3.999 184 HE1 PHE 22 HE1 PHE 22 9.402 -7.894 8.132 185 HE2 PHE 22 HE2 PHE 22 6.439 -8.291 5.084 186 HZ PHE 22 HZ PHE 22 7.345 -7.183 7.170 187 HA PRO 23 HA PRO 23 7.258 -10.138 0.713 188 1HB PRO 23 HB2 PRO 23 4.990 -11.047 1.884 189 2HB PRO 23 HB3 PRO 23 6.042 -12.074 0.912 190 1HG PRO 23 HG2 PRO 23 5.914 -11.787 3.895 191 2HG PRO 23 HG3 PRO 23 5.996 -13.267 2.917 192 1HD PRO 23 HD2 PRO 23 8.172 -12.238 4.103 193 2HD PRO 23 HD3 PRO 23 8.272 -13.022 2.515 194 H ILE 24 HN ILE 24 8.181 -8.079 1.954 195 HA ILE 24 HA ILE 24 7.208 -5.932 2.194 196 HB ILE 24 HB ILE 24 5.134 -7.309 3.880 197 1HG1 ILE 24 HG12 ILE 24 4.847 -7.747 1.513 198 2HG1 ILE 24 HG13 ILE 24 3.641 -6.578 2.018 199 1HG2 ILE 24 HG21 ILE 24 4.877 -4.493 2.987 200 2HG2 ILE 24 HG22 ILE 24 4.181 -5.289 4.390 201 3HG2 ILE 24 HG23 ILE 24 5.878 -4.823 4.389 202 1HD1 ILE 24 HD11 ILE 24 5.622 -4.933 1.246 203 2HD1 ILE 24 HD12 ILE 24 5.894 -6.301 0.169 204 3HD1 ILE 24 HD13 ILE 24 4.329 -5.492 0.188 205 H ASN 25 HN ASN 25 9.459 -6.339 3.291 206 HA ASN 25 HA ASN 25 9.647 -6.456 6.114 207 1HB ASN 25 HB2 ASN 25 11.426 -5.674 3.884 208 2HB ASN 25 HB3 ASN 25 11.838 -5.043 5.481 209 1HD2 ASN 25 HD21 ASN 25 13.234 -6.200 6.517 210 2HD2 ASN 25 HD22 ASN 25 13.392 -7.922 6.463 211 H SER 26 HN SER 26 7.677 -4.900 6.340 212 HA SER 26 HA SER 26 6.874 -2.885 7.031 213 1HB SER 26 HB2 SER 26 8.293 -1.505 8.369 214 2HB SER 26 HB3 SER 26 8.829 -3.162 8.641 215 HG SER 26 HG SER 26 10.632 -2.792 7.525 216 HA PRO 27 HA PRO 27 6.899 -0.183 3.643 217 1HB PRO 27 HB2 PRO 27 7.224 2.107 5.517 218 2HB PRO 27 HB3 PRO 27 6.025 1.864 4.241 219 1HG PRO 27 HG2 PRO 27 5.379 1.514 6.811 220 2HG PRO 27 HG3 PRO 27 4.722 0.456 5.548 221 1HD PRO 27 HD2 PRO 27 6.859 -0.088 7.550 222 2HD PRO 27 HD3 PRO 27 5.658 -1.190 6.842 223 H GLU 28 HN GLU 28 9.403 0.410 6.042 224 HA GLU 28 HA GLU 28 11.082 2.040 4.554 225 1HB GLU 28 HB2 GLU 28 11.934 -0.224 6.378 226 2HB GLU 28 HB3 GLU 28 12.908 1.169 5.919 227 1HG GLU 28 HG2 GLU 28 10.363 1.274 7.525 228 2HG GLU 28 HG3 GLU 28 11.998 1.379 8.177 229 H GLU 29 HN GLU 29 11.208 -1.513 4.779 230 HA GLU 29 HA GLU 29 13.076 -1.784 2.648 231 1HB GLU 29 HB2 GLU 29 12.782 -3.351 4.555 232 2HB GLU 29 HB3 GLU 29 11.240 -3.819 3.814 233 1HG GLU 29 HG2 GLU 29 13.051 -5.388 3.264 234 2HG GLU 29 HG3 GLU 29 12.395 -4.592 1.835 235 H LEU 30 HN LEU 30 9.656 -2.832 2.933 236 HA LEU 30 HA LEU 30 9.360 -3.751 0.364 237 1HB LEU 30 HB2 LEU 30 7.010 -3.516 0.631 238 2HB LEU 30 HB3 LEU 30 7.668 -3.903 2.209 239 HG LEU 30 HG LEU 30 7.648 -1.338 2.567 240 1HD1 LEU 30 HD11 LEU 30 6.589 -1.458 -0.033 241 2HD1 LEU 30 HD12 LEU 30 5.260 -1.004 1.034 242 3HD1 LEU 30 HD13 LEU 30 6.742 -0.048 1.012 243 1HD2 LEU 30 HD21 LEU 30 5.449 -1.471 3.523 244 2HD2 LEU 30 HD22 LEU 30 5.032 -2.819 2.471 245 3HD2 LEU 30 HD23 LEU 30 6.248 -3.029 3.730 246 H MET 31 HN MET 31 9.095 -0.392 1.522 247 HA MET 31 HA MET 31 8.446 0.707 -1.022 248 1HB MET 31 HB2 MET 31 9.475 1.860 1.529 249 2HB MET 31 HB3 MET 31 9.687 2.792 0.064 250 1HG MET 31 HG2 MET 31 7.281 2.717 -0.345 251 2HG MET 31 HG3 MET 31 7.066 1.795 1.147 252 1HE MET 31 HE1 MET 31 7.832 2.795 3.556 253 2HE MET 31 HE2 MET 31 9.377 3.348 2.915 254 3HE MET 31 HE3 MET 31 8.335 4.467 3.795 255 H ALA 32 HN ALA 32 11.397 -0.281 0.606 256 HA ALA 32 HA ALA 32 13.212 1.010 -1.165 257 1HB ALA 32 HB1 ALA 32 14.828 0.020 0.064 258 2HB ALA 32 HB2 ALA 32 13.490 -0.329 1.158 259 3HB ALA 32 HB3 ALA 32 14.042 -1.558 0.020 260 H ALA 33 HN ALA 33 11.349 -1.916 -1.337 261 HA ALA 33 HA ALA 33 12.829 -3.161 -3.429 262 1HB ALA 33 HB1 ALA 33 9.964 -3.777 -2.951 263 2HB ALA 33 HB2 ALA 33 11.320 -4.857 -3.278 264 3HB ALA 33 HB3 ALA 33 11.142 -4.124 -1.684 265 H LEU 34 HN LEU 34 9.935 -1.121 -3.346 266 HA LEU 34 HA LEU 34 8.768 -1.405 -5.702 267 1HB LEU 34 HB2 LEU 34 9.484 1.125 -4.287 268 2HB LEU 34 HB3 LEU 34 8.664 1.201 -5.837 269 HG LEU 34 HG LEU 34 6.814 -0.136 -4.941 270 1HD1 LEU 34 HD11 LEU 34 6.786 -0.375 -2.388 271 2HD1 LEU 34 HD12 LEU 34 7.730 -1.527 -3.330 272 3HD1 LEU 34 HD13 LEU 34 8.534 -0.196 -2.506 273 1HD2 LEU 34 HD21 LEU 34 5.919 1.508 -3.339 274 2HD2 LEU 34 HD22 LEU 34 7.507 2.264 -3.260 275 3HD2 LEU 34 HD23 LEU 34 6.605 2.260 -4.775 276 HA PRO 35 HA PRO 35 11.625 -1.476 -9.030 277 1HB PRO 35 HB2 PRO 35 9.850 -0.488 -10.952 278 2HB PRO 35 HB3 PRO 35 10.063 -2.179 -10.492 279 1HG PRO 35 HG2 PRO 35 8.015 -0.207 -9.572 280 2HG PRO 35 HG3 PRO 35 7.832 -1.935 -9.925 281 1HD PRO 35 HD2 PRO 35 7.948 -1.069 -7.417 282 2HD PRO 35 HD3 PRO 35 8.771 -2.572 -7.892 283 H ASN 36 HN ASN 36 9.758 1.519 -8.573 284 HA ASN 36 HA ASN 36 11.365 3.062 -10.344 285 1HB ASN 36 HB2 ASN 36 10.203 4.982 -9.387 286 2HB ASN 36 HB3 ASN 36 9.059 3.673 -9.685 287 1HD2 ASN 36 HD21 ASN 36 9.933 5.942 -7.509 288 2HD2 ASN 36 HD22 ASN 36 9.370 5.220 -6.069 289 H GLY 37 HN GLY 37 11.652 2.221 -6.969 290 1HA GLY 37 HA1 GLY 37 13.802 2.347 -5.890 291 2HA GLY 37 HA2 GLY 37 14.157 3.767 -6.862 292 HA PRO 38 HA PRO 38 12.630 6.282 -3.546 293 1HB PRO 38 HB2 PRO 38 11.527 8.410 -4.738 294 2HB PRO 38 HB3 PRO 38 13.255 8.066 -4.874 295 1HG PRO 38 HG2 PRO 38 11.060 7.571 -6.838 296 2HG PRO 38 HG3 PRO 38 12.713 8.147 -7.123 297 1HD PRO 38 HD2 PRO 38 11.868 5.537 -7.475 298 2HD PRO 38 HD3 PRO 38 13.552 6.022 -7.218 299 H ASP 39 HN ASP 39 10.772 4.171 -4.254 300 HA ASP 39 HA ASP 39 8.696 3.467 -3.785 301 1HB ASP 39 HB2 ASP 39 8.192 6.056 -2.336 302 2HB ASP 39 HB3 ASP 39 7.545 4.455 -1.970 303 H THR 40 HN THR 40 7.799 3.389 -5.749 304 HA THR 40 HA THR 40 6.860 5.565 -7.256 305 HB THR 40 HB THR 40 7.301 3.529 -8.404 306 HG1 THR 40 HG1 THR 40 5.277 3.212 -9.462 307 1HG2 THR 40 HG21 THR 40 7.035 1.842 -6.786 308 2HG2 THR 40 HG22 THR 40 5.776 1.518 -7.977 309 3HG2 THR 40 HG23 THR 40 5.366 2.308 -6.455 310 H THR 41 HN THR 41 4.921 6.547 -7.450 311 HA THR 41 HA THR 41 2.954 6.023 -5.354 312 HB THR 41 HB THR 41 2.943 8.274 -7.372 313 HG1 THR 41 HG1 THR 41 3.882 9.497 -5.626 314 1HG2 THR 41 HG21 THR 41 1.530 7.824 -4.744 315 2HG2 THR 41 HG22 THR 41 0.801 7.981 -6.343 316 3HG2 THR 41 HG23 THR 41 1.569 9.375 -5.583 317 H CYS 42 HN CYS 42 1.162 4.872 -5.766 318 HA CYS 42 HA CYS 42 0.493 4.244 -8.533 319 1HB CYS 42 HB2 CYS 42 -0.727 3.176 -5.976 320 2HB CYS 42 HB3 CYS 42 -1.006 2.555 -7.603 321 HG CYS 42 HG CYS 42 0.626 0.718 -6.370 322 H LYS 43 HN LYS 43 0.035 6.873 -8.014 323 HA LYS 43 HA LYS 43 -2.655 7.366 -7.180 324 1HB LYS 43 HB2 LYS 43 -2.223 9.673 -7.896 325 2HB LYS 43 HB3 LYS 43 -0.937 9.060 -6.867 326 1HG LYS 43 HG2 LYS 43 0.244 10.149 -8.505 327 2HG LYS 43 HG3 LYS 43 0.230 8.496 -9.122 328 1HD LYS 43 HD2 LYS 43 -1.612 9.037 -10.605 329 2HD LYS 43 HD3 LYS 43 -1.703 10.665 -9.932 330 1HE LYS 43 HE2 LYS 43 0.634 9.492 -11.436 331 2HE LYS 43 HE3 LYS 43 -0.534 10.645 -12.079 332 1HZ LYS 43 HZ1 LYS 43 1.791 11.131 -10.526 333 2HZ LYS 43 HZ2 LYS 43 0.429 11.774 -9.756 334 3HZ LYS 43 HZ3 LYS 43 0.801 12.234 -11.341 335 H SER 44 HN SER 44 -4.357 8.229 -8.508 336 HA SER 44 HA SER 44 -4.151 7.833 -11.382 337 1HB SER 44 HB2 SER 44 -6.132 6.297 -9.685 338 2HB SER 44 HB3 SER 44 -6.119 6.337 -11.449 339 HG SER 44 HG SER 44 -4.954 4.564 -10.145 340 H GLY 45 HN GLY 45 -5.269 9.355 -12.430 341 1HA GLY 45 HA1 GLY 45 -6.830 10.977 -12.899 342 2HA GLY 45 HA2 GLY 45 -7.823 10.302 -11.618 343 H ASP 46 HN ASP 46 -6.475 10.720 -9.361 344 HA ASP 46 HA ASP 46 -5.261 13.280 -9.142 345 1HB ASP 46 HB2 ASP 46 -7.585 14.012 -9.523 346 2HB ASP 46 HB3 ASP 46 -8.117 13.023 -8.166 347 H VAL 47 HN VAL 47 -7.111 10.736 -7.543 348 HA VAL 47 HA VAL 47 -6.069 11.137 -4.944 349 HB VAL 47 HB VAL 47 -7.117 8.561 -6.127 350 1HG1 VAL 47 HG11 VAL 47 -7.211 7.707 -4.036 351 2HG1 VAL 47 HG12 VAL 47 -5.897 8.850 -3.758 352 3HG1 VAL 47 HG13 VAL 47 -7.544 9.270 -3.292 353 1HG2 VAL 47 HG21 VAL 47 -8.499 11.022 -5.190 354 2HG2 VAL 47 HG22 VAL 47 -8.920 9.915 -6.496 355 3HG2 VAL 47 HG23 VAL 47 -9.232 9.461 -4.820 356 H GLU 48 HN GLU 48 -4.177 10.518 -4.051 357 HA GLU 48 HA GLU 48 -2.441 8.754 -5.650 358 1HB GLU 48 HB2 GLU 48 -1.519 10.845 -3.677 359 2HB GLU 48 HB3 GLU 48 -0.529 9.934 -4.811 360 1HG GLU 48 HG2 GLU 48 -1.592 11.072 -6.681 361 2HG GLU 48 HG3 GLU 48 -2.623 11.962 -5.562 362 H LEU 49 HN LEU 49 -1.655 6.956 -4.739 363 HA LEU 49 HA LEU 49 -1.776 6.653 -1.824 364 1HB LEU 49 HB2 LEU 49 -2.961 4.768 -3.853 365 2HB LEU 49 HB3 LEU 49 -2.577 4.278 -2.217 366 HG LEU 49 HG LEU 49 -4.935 4.756 -2.396 367 1HD1 LEU 49 HD11 LEU 49 -3.892 5.277 -0.283 368 2HD1 LEU 49 HD12 LEU 49 -3.465 6.890 -0.857 369 3HD1 LEU 49 HD13 LEU 49 -5.159 6.451 -0.634 370 1HD2 LEU 49 HD21 LEU 49 -5.815 6.448 -3.542 371 2HD2 LEU 49 HD22 LEU 49 -4.738 7.627 -2.794 372 3HD2 LEU 49 HD23 LEU 49 -4.196 6.702 -4.194 373 H LYS 50 HN LYS 50 -0.152 5.474 -0.947 374 HA LYS 50 HA LYS 50 1.391 3.543 -2.225 375 1HB LYS 50 HB2 LYS 50 3.505 4.758 -2.586 376 2HB LYS 50 HB3 LYS 50 2.222 5.317 -3.650 377 1HG LYS 50 HG2 LYS 50 1.887 7.277 -2.289 378 2HG LYS 50 HG3 LYS 50 3.068 6.693 -1.113 379 1HD LYS 50 HD2 LYS 50 4.843 6.880 -2.715 380 2HD LYS 50 HD3 LYS 50 3.699 7.265 -4.000 381 1HE LYS 50 HE2 LYS 50 3.115 9.344 -2.881 382 2HE LYS 50 HE3 LYS 50 4.201 8.951 -1.550 383 1HZ LYS 50 HZ1 LYS 50 6.043 9.390 -2.803 384 2HZ LYS 50 HZ2 LYS 50 4.965 10.501 -3.485 385 3HZ LYS 50 HZ3 LYS 50 5.284 9.039 -4.275 386 H ALA 51 HN ALA 51 3.203 2.827 -0.960 387 HA ALA 51 HA ALA 51 2.724 2.607 1.719 388 1HB ALA 51 HB1 ALA 51 5.237 2.330 0.119 389 2HB ALA 51 HB2 ALA 51 5.245 2.091 1.867 390 3HB ALA 51 HB3 ALA 51 4.228 1.078 0.843 391 H SER 52 HN SER 52 4.321 5.243 0.087 392 HA SER 52 HA SER 52 5.572 6.329 2.403 393 1HB SER 52 HB2 SER 52 6.402 6.875 0.187 394 2HB SER 52 HB3 SER 52 4.863 7.624 -0.237 395 HG SER 52 HG SER 52 5.281 9.284 1.113 396 H ASP 53 HN ASP 53 2.780 7.556 0.529 397 HA ASP 53 HA ASP 53 2.021 9.377 2.580 398 1HB ASP 53 HB2 ASP 53 0.555 8.414 0.122 399 2HB ASP 53 HB3 ASP 53 -0.032 9.695 1.179 400 H ALA 54 HN ALA 54 0.448 6.408 1.370 401 HA ALA 54 HA ALA 54 -1.515 6.412 3.439 402 1HB ALA 54 HB1 ALA 54 -1.927 5.418 1.240 403 2HB ALA 54 HB2 ALA 54 -0.722 4.177 1.582 404 3HB ALA 54 HB3 ALA 54 -2.197 4.263 2.546 405 H GLY 55 HN GLY 55 1.471 4.571 2.899 406 1HA GLY 55 HA1 GLY 55 1.321 2.715 4.919 407 2HA GLY 55 HA2 GLY 55 2.821 3.456 4.404 408 H GLN 56 HN GLN 56 1.671 6.139 5.303 409 HA GLN 56 HA GLN 56 2.976 6.552 7.630 410 1HB GLN 56 HB2 GLN 56 1.403 8.386 8.108 411 2HB GLN 56 HB3 GLN 56 1.881 8.357 6.415 412 1HG GLN 56 HG2 GLN 56 -0.237 7.273 5.849 413 2HG GLN 56 HG3 GLN 56 -0.699 7.303 7.548 414 1HE2 GLN 56 HE21 GLN 56 -1.234 8.776 4.727 415 2HE2 GLN 56 HE22 GLN 56 -1.630 10.367 5.269 416 H VAL 57 HN VAL 57 -0.282 5.255 7.324 417 HA VAL 57 HA VAL 57 -0.908 5.227 10.065 418 HB VAL 57 HB VAL 57 -2.727 3.694 9.451 419 1HG1 VAL 57 HG11 VAL 57 -2.171 6.272 8.209 420 2HG1 VAL 57 HG12 VAL 57 -3.353 5.312 7.314 421 3HG1 VAL 57 HG13 VAL 57 -3.631 5.692 9.014 422 1HG2 VAL 57 HG21 VAL 57 -1.064 2.753 7.517 423 2HG2 VAL 57 HG22 VAL 57 -2.805 2.485 7.556 424 3HG2 VAL 57 HG23 VAL 57 -2.134 3.788 6.576 425 H LEU 58 HN LEU 58 0.850 2.944 8.061 426 HA LEU 58 HA LEU 58 0.686 0.772 9.909 427 1HB LEU 58 HB2 LEU 58 2.890 1.130 7.892 428 2HB LEU 58 HB3 LEU 58 2.203 -0.361 8.508 429 HG LEU 58 HG LEU 58 0.814 1.575 6.651 430 1HD1 LEU 58 HD11 LEU 58 2.475 -0.814 6.226 431 2HD1 LEU 58 HD12 LEU 58 0.964 -0.763 5.317 432 3HD1 LEU 58 HD13 LEU 58 2.136 0.545 5.156 433 1HD2 LEU 58 HD21 LEU 58 -0.963 0.644 7.762 434 2HD2 LEU 58 HD22 LEU 58 -0.718 -0.559 6.497 435 3HD2 LEU 58 HD23 LEU 58 -0.098 -0.850 8.122 436 H THR 59 HN THR 59 1.569 0.812 11.869 437 HA THR 59 HA THR 59 3.734 2.592 12.520 438 HB THR 59 HB THR 59 3.551 1.689 14.800 439 HG1 THR 59 HG1 THR 59 1.514 0.012 13.718 440 1HG2 THR 59 HG21 THR 59 1.951 3.443 13.798 441 2HG2 THR 59 HG22 THR 59 1.500 2.678 15.323 442 3HG2 THR 59 HG23 THR 59 0.754 2.147 13.814 443 H ALA 60 HN ALA 60 5.721 1.898 13.565 444 HA ALA 60 HA ALA 60 7.293 0.225 12.084 445 1HB ALA 60 HB1 ALA 60 7.751 0.467 15.034 446 2HB ALA 60 HB2 ALA 60 8.931 0.433 13.724 447 3HB ALA 60 HB3 ALA 60 7.927 1.862 13.969 448 H ASP 61 HN ASP 61 5.332 -0.637 14.896 449 HA ASP 61 HA ASP 61 6.217 -3.223 15.345 450 1HB ASP 61 HB2 ASP 61 4.619 -2.083 16.814 451 2HB ASP 61 HB3 ASP 61 3.389 -2.165 15.557 452 H ASP 62 HN ASP 62 4.293 -1.955 12.756 453 HA ASP 62 HA ASP 62 3.187 -4.408 11.842 454 1HB ASP 62 HB2 ASP 62 3.683 -1.840 10.326 455 2HB ASP 62 HB3 ASP 62 2.655 -3.165 9.793 456 H PHE 63 HN PHE 63 6.374 -3.644 11.985 457 HA PHE 63 HA PHE 63 7.565 -3.890 9.598 458 1HB PHE 63 HB2 PHE 63 8.295 -4.603 12.286 459 2HB PHE 63 HB3 PHE 63 8.958 -5.780 11.156 460 HD1 PHE 63 HD1 PHE 63 8.496 -2.072 11.186 461 HD2 PHE 63 HD2 PHE 63 11.118 -5.366 10.573 462 HE1 PHE 63 HE1 PHE 63 10.314 -0.515 10.627 463 HE2 PHE 63 HE2 PHE 63 12.942 -3.815 10.018 464 HZ PHE 63 HZ PHE 63 12.543 -1.384 10.043 465 HA PRO 64 HA PRO 64 7.076 -8.638 9.188 466 1HB PRO 64 HB2 PRO 64 5.667 -9.994 11.055 467 2HB PRO 64 HB3 PRO 64 7.397 -9.672 11.223 468 1HG PRO 64 HG2 PRO 64 5.077 -8.238 12.459 469 2HG PRO 64 HG3 PRO 64 6.612 -8.724 13.199 470 1HD PRO 64 HD2 PRO 64 6.121 -6.192 12.342 471 2HD PRO 64 HD3 PRO 64 7.744 -6.912 12.337 472 H PHE 65 HN PHE 65 5.680 -7.415 7.676 473 HA PHE 65 HA PHE 65 2.859 -7.328 8.127 474 1HB PHE 65 HB2 PHE 65 4.708 -6.306 6.179 475 2HB PHE 65 HB3 PHE 65 3.375 -7.120 5.360 476 HD1 PHE 65 HD1 PHE 65 4.304 -4.297 7.515 477 HD2 PHE 65 HD2 PHE 65 1.152 -6.300 5.490 478 HE1 PHE 65 HE1 PHE 65 2.849 -2.349 7.867 479 HE2 PHE 65 HE2 PHE 65 -0.312 -4.352 5.825 480 HZ PHE 65 HZ PHE 65 0.537 -2.374 7.017 481 H LYS 66 HN LYS 66 1.296 -8.625 7.380 482 HA LYS 66 HA LYS 66 1.888 -11.333 6.830 483 1HB LYS 66 HB2 LYS 66 -0.613 -9.695 6.873 484 2HB LYS 66 HB3 LYS 66 -0.656 -11.349 6.282 485 1HG LYS 66 HG2 LYS 66 -1.290 -11.278 8.606 486 2HG LYS 66 HG3 LYS 66 0.250 -12.118 8.430 487 1HD LYS 66 HD2 LYS 66 0.375 -10.658 10.334 488 2HD LYS 66 HD3 LYS 66 1.408 -10.013 9.059 489 1HE LYS 66 HE2 LYS 66 -0.352 -8.426 8.442 490 2HE LYS 66 HE3 LYS 66 -1.384 -9.077 9.714 491 1HZ LYS 66 HZ1 LYS 66 0.159 -6.963 10.059 492 2HZ LYS 66 HZ2 LYS 66 1.260 -8.160 10.519 493 3HZ LYS 66 HZ3 LYS 66 -0.223 -8.025 11.320 494 H SER 67 HN SER 67 3.349 -10.509 4.969 495 HA SER 67 HA SER 67 3.841 -10.652 2.777 496 1HB SER 67 HB2 SER 67 1.089 -11.863 2.557 497 2HB SER 67 HB3 SER 67 2.329 -11.910 1.309 498 HG SER 67 HG SER 67 3.665 -12.986 2.928 499 H ALA 68 HN ALA 68 3.365 -9.820 0.633 500 HA ALA 68 HA ALA 68 2.667 -7.156 0.608 501 1HB ALA 68 HB1 ALA 68 3.977 -7.972 -1.159 502 2HB ALA 68 HB2 ALA 68 2.779 -9.192 -1.591 503 3HB ALA 68 HB3 ALA 68 2.449 -7.487 -1.897 504 H GLU 69 HN GLU 69 0.595 -9.938 0.314 505 HA GLU 69 HA GLU 69 -1.647 -8.637 -0.818 506 1HB GLU 69 HB2 GLU 69 -2.937 -10.558 0.058 507 2HB GLU 69 HB3 GLU 69 -1.504 -11.060 -0.828 508 1HG GLU 69 HG2 GLU 69 -0.348 -11.348 1.331 509 2HG GLU 69 HG3 GLU 69 -1.860 -10.953 2.145 510 H GLU 70 HN GLU 70 -0.513 -9.143 2.475 511 HA GLU 70 HA GLU 70 -2.771 -8.128 3.821 512 1HB GLU 70 HB2 GLU 70 -1.261 -9.336 5.135 513 2HB GLU 70 HB3 GLU 70 0.130 -8.490 4.478 514 1HG GLU 70 HG2 GLU 70 -0.104 -7.758 6.676 515 2HG GLU 70 HG3 GLU 70 -0.677 -6.450 5.656 516 H VAL 71 HN VAL 71 0.197 -6.640 2.629 517 HA VAL 71 HA VAL 71 -0.175 -4.074 3.688 518 HB VAL 71 HB VAL 71 1.127 -4.823 1.072 519 1HG1 VAL 71 HG11 VAL 71 2.425 -2.606 1.897 520 2HG1 VAL 71 HG12 VAL 71 1.071 -2.586 0.768 521 3HG1 VAL 71 HG13 VAL 71 0.796 -2.254 2.477 522 1HG2 VAL 71 HG21 VAL 71 3.190 -4.817 2.305 523 2HG2 VAL 71 HG22 VAL 71 2.353 -4.355 3.785 524 3HG2 VAL 71 HG23 VAL 71 2.065 -5.940 3.063 525 H ALA 72 HN ALA 72 -1.228 -5.416 0.581 526 HA ALA 72 HA ALA 72 -2.343 -3.153 -0.541 527 1HB ALA 72 HB1 ALA 72 -2.439 -4.783 -2.087 528 2HB ALA 72 HB2 ALA 72 -2.641 -6.051 -0.878 529 3HB ALA 72 HB3 ALA 72 -4.033 -5.108 -1.406 530 H ASP 73 HN ASP 73 -4.050 -5.639 1.366 531 HA ASP 73 HA ASP 73 -6.492 -4.233 1.481 532 1HB ASP 73 HB2 ASP 73 -5.370 -6.426 3.244 533 2HB ASP 73 HB3 ASP 73 -7.036 -5.848 3.325 534 H THR 74 HN THR 74 -3.813 -4.473 3.769 535 HA THR 74 HA THR 74 -4.905 -3.111 5.919 536 HB THR 74 HB THR 74 -2.023 -3.147 5.009 537 HG1 THR 74 HG1 THR 74 -2.210 -5.171 5.582 538 1HG2 THR 74 HG21 THR 74 -2.530 -1.370 6.678 539 2HG2 THR 74 HG22 THR 74 -1.430 -2.609 7.282 540 3HG2 THR 74 HG23 THR 74 -3.126 -2.620 7.770 541 H ILE 75 HN ILE 75 -3.031 -1.775 3.198 542 HA ILE 75 HA ILE 75 -3.068 0.881 4.143 543 HB ILE 75 HB ILE 75 -2.687 -0.137 1.327 544 1HG1 ILE 75 HG12 ILE 75 -0.697 0.637 3.469 545 2HG1 ILE 75 HG13 ILE 75 -1.049 -1.004 2.945 546 1HG2 ILE 75 HG21 ILE 75 -1.529 2.435 2.210 547 2HG2 ILE 75 HG22 ILE 75 -2.130 1.949 0.627 548 3HG2 ILE 75 HG23 ILE 75 -3.262 2.414 1.894 549 1HD1 ILE 75 HD11 ILE 75 0.043 1.130 1.134 550 2HD1 ILE 75 HD12 ILE 75 1.040 -0.031 2.010 551 3HD1 ILE 75 HD13 ILE 75 -0.109 -0.593 0.795 552 H VAL 76 HN VAL 76 -5.099 -0.666 1.606 553 HA VAL 76 HA VAL 76 -6.609 1.601 1.021 554 HB VAL 76 HB VAL 76 -8.485 -0.135 0.456 555 1HG1 VAL 76 HG11 VAL 76 -6.508 -0.843 -1.428 556 2HG1 VAL 76 HG12 VAL 76 -7.733 0.418 -1.555 557 3HG1 VAL 76 HG13 VAL 76 -6.150 0.801 -0.892 558 1HG2 VAL 76 HG21 VAL 76 -6.568 -2.206 -0.037 559 2HG2 VAL 76 HG22 VAL 76 -6.599 -1.831 1.686 560 3HG2 VAL 76 HG23 VAL 76 -8.086 -2.284 0.858 561 H ASN 77 HN ASN 77 -7.165 -0.848 3.528 562 HA ASN 77 HA ASN 77 -9.683 0.104 4.346 563 1HB ASN 77 HB2 ASN 77 -7.564 -1.456 5.825 564 2HB ASN 77 HB3 ASN 77 -9.143 -1.085 6.515 565 1HD2 ASN 77 HD21 ASN 77 -7.530 -3.502 5.252 566 2HD2 ASN 77 HD22 ASN 77 -8.779 -4.345 4.404 567 H LYS 78 HN LYS 78 -6.479 0.683 5.816 568 HA LYS 78 HA LYS 78 -7.504 2.589 7.673 569 1HB LYS 78 HB2 LYS 78 -4.641 2.123 6.853 570 2HB LYS 78 HB3 LYS 78 -5.199 2.910 8.324 571 1HG LYS 78 HG2 LYS 78 -6.281 0.757 8.978 572 2HG LYS 78 HG3 LYS 78 -5.502 0.011 7.581 573 1HD LYS 78 HD2 LYS 78 -4.148 -0.424 9.507 574 2HD LYS 78 HD3 LYS 78 -3.304 0.757 8.500 575 1HE LYS 78 HE2 LYS 78 -4.165 2.560 9.945 576 2HE LYS 78 HE3 LYS 78 -4.935 1.350 10.967 577 1HZ LYS 78 HZ1 LYS 78 -2.602 2.287 11.571 578 2HZ LYS 78 HZ2 LYS 78 -2.053 1.148 10.448 579 3HZ LYS 78 HZ3 LYS 78 -2.939 0.644 11.798 580 H ALA 79 HN ALA 79 -5.736 2.842 4.620 581 HA ALA 79 HA ALA 79 -5.292 5.625 4.751 582 1HB ALA 79 HB1 ALA 79 -5.464 3.905 2.284 583 2HB ALA 79 HB2 ALA 79 -4.689 5.483 2.420 584 3HB ALA 79 HB3 ALA 79 -4.030 4.100 3.292 585 H GLY 80 HN GLY 80 -8.064 3.762 3.637 586 1HA GLY 80 HA1 GLY 80 -9.997 5.595 3.886 587 2HA GLY 80 HA2 GLY 80 -9.230 6.119 2.392 588 H LEU 81 HN LEU 81 -8.717 3.935 1.042 589 HA LEU 81 HA LEU 81 -11.208 3.225 -0.040 590 1HB LEU 81 HB2 LEU 81 -8.592 1.786 -0.430 591 2HB LEU 81 HB3 LEU 81 -9.951 1.850 -1.541 592 HG LEU 81 HG LEU 81 -8.417 4.322 -0.746 593 1HD1 LEU 81 HD11 LEU 81 -6.745 2.981 -1.728 594 2HD1 LEU 81 HD12 LEU 81 -7.853 2.328 -2.934 595 3HD1 LEU 81 HD13 LEU 81 -7.331 4.011 -3.034 596 1HD2 LEU 81 HD21 LEU 81 -9.655 4.106 -3.390 597 2HD2 LEU 81 HD22 LEU 81 -10.802 4.021 -2.052 598 3HD2 LEU 81 HD23 LEU 81 -9.724 5.408 -2.202 Start of MODEL 19 1 1H GLY -3 HT1 GLY -3 -26.347 1.623 6.426 2 2H GLY -3 HT2 GLY -3 -26.704 1.045 4.876 3 3H GLY -3 HT3 GLY -3 -25.209 1.776 5.182 4 1HA GLY -3 HA2 GLY -3 -25.535 -0.335 7.000 5 2HA GLY -3 HA1 GLY -3 -25.893 -0.931 5.386 6 H SER -2 HN SER -2 -24.155 0.608 3.869 7 HA SER -2 HA SER -2 -21.499 0.568 4.897 8 1HB SER -2 HB2 SER -2 -22.267 -1.638 2.969 9 2HB SER -2 HB3 SER -2 -20.620 -1.243 3.456 10 HG SER -2 HG SER -2 -21.388 -1.652 5.662 11 H HIS -1 HN HIS -1 -20.171 1.789 3.658 12 HA HIS -1 HA HIS -1 -21.248 3.420 1.666 13 1HB HIS -1 HB2 HIS -1 -18.862 4.074 1.209 14 2HB HIS -1 HB3 HIS -1 -19.372 4.227 2.885 15 HD1 HIS -1 HD1 HIS -1 -16.441 4.127 2.446 16 HD2 HIS -1 HD2 HIS -1 -18.710 0.679 2.924 17 HE1 HIS -1 HE1 HIS -1 -14.829 2.362 3.222 18 HE2 HIS -1 HE2 HIS -1 -16.236 0.301 3.563 19 H MET 1 HN MET 1 -19.587 0.347 1.417 20 HA MET 1 HA MET 1 -19.250 -1.066 -0.336 21 1HB MET 1 HB2 MET 1 -21.248 0.714 -1.743 22 2HB MET 1 HB3 MET 1 -20.726 -0.870 -2.293 23 1HG MET 1 HG2 MET 1 -22.182 -0.337 0.284 24 2HG MET 1 HG3 MET 1 -22.936 -0.883 -1.209 25 1HE MET 1 HE1 MET 1 -20.751 -3.042 1.985 26 2HE MET 1 HE2 MET 1 -19.508 -2.670 0.791 27 3HE MET 1 HE3 MET 1 -20.491 -1.374 1.474 28 H LYS 2 HN LYS 2 -17.852 -1.286 -2.054 29 HA LYS 2 HA LYS 2 -17.109 0.900 -3.735 30 1HB LYS 2 HB2 LYS 2 -15.935 1.556 -1.666 31 2HB LYS 2 HB3 LYS 2 -15.107 0.005 -1.653 32 1HG LYS 2 HG2 LYS 2 -14.214 0.648 -3.950 33 2HG LYS 2 HG3 LYS 2 -14.783 2.277 -3.583 34 1HD LYS 2 HD2 LYS 2 -12.776 0.666 -2.012 35 2HD LYS 2 HD3 LYS 2 -12.445 2.085 -3.005 36 1HE LYS 2 HE2 LYS 2 -14.168 2.032 -0.532 37 2HE LYS 2 HE3 LYS 2 -12.508 2.617 -0.611 38 1HZ LYS 2 HZ1 LYS 2 -13.538 4.577 -0.935 39 2HZ LYS 2 HZ2 LYS 2 -14.962 3.877 -1.519 40 3HZ LYS 2 HZ3 LYS 2 -13.629 4.058 -2.543 41 H MET 3 HN MET 3 -16.102 0.197 -5.547 42 HA MET 3 HA MET 3 -14.609 -2.251 -5.626 43 1HB MET 3 HB2 MET 3 -17.254 -2.101 -7.090 44 2HB MET 3 HB3 MET 3 -16.047 -3.359 -7.315 45 1HG MET 3 HG2 MET 3 -16.321 -4.012 -4.960 46 2HG MET 3 HG3 MET 3 -17.577 -2.788 -4.787 47 1HE MET 3 HE1 MET 3 -19.916 -5.538 -4.530 48 2HE MET 3 HE2 MET 3 -18.360 -6.360 -4.412 49 3HE MET 3 HE3 MET 3 -18.569 -4.759 -3.699 50 H GLY 4 HN GLY 4 -14.179 0.512 -6.199 51 1HA GLY 4 HA1 GLY 4 -14.037 0.687 -9.101 52 2HA GLY 4 HA2 GLY 4 -13.592 1.946 -7.955 53 H VAL 5 HN VAL 5 -11.533 2.404 -8.034 54 HA VAL 5 HA VAL 5 -9.608 0.583 -9.121 55 HB VAL 5 HB VAL 5 -9.590 3.150 -9.298 56 1HG1 VAL 5 HG11 VAL 5 -8.426 4.383 -7.645 57 2HG1 VAL 5 HG12 VAL 5 -9.604 3.404 -6.769 58 3HG1 VAL 5 HG13 VAL 5 -7.909 2.904 -6.822 59 1HG2 VAL 5 HG21 VAL 5 -7.885 1.925 -10.354 60 2HG2 VAL 5 HG22 VAL 5 -7.103 3.202 -9.429 61 3HG2 VAL 5 HG23 VAL 5 -7.113 1.553 -8.810 62 H LYS 6 HN LYS 6 -10.944 0.827 -6.052 63 HA LYS 6 HA LYS 6 -8.882 0.746 -4.264 64 1HB LYS 6 HB2 LYS 6 -11.203 0.508 -3.558 65 2HB LYS 6 HB3 LYS 6 -11.309 -1.069 -4.330 66 1HG LYS 6 HG2 LYS 6 -9.439 -1.771 -2.731 67 2HG LYS 6 HG3 LYS 6 -9.818 -0.286 -1.853 68 1HD LYS 6 HD2 LYS 6 -12.075 -1.005 -1.485 69 2HD LYS 6 HD3 LYS 6 -11.850 -2.407 -2.532 70 1HE LYS 6 HE2 LYS 6 -11.755 -3.081 -0.209 71 2HE LYS 6 HE3 LYS 6 -10.175 -3.284 -0.962 72 1HZ LYS 6 HZ1 LYS 6 -9.561 -2.244 0.941 73 2HZ LYS 6 HZ2 LYS 6 -11.021 -1.407 1.109 74 3HZ LYS 6 HZ3 LYS 6 -9.861 -0.866 0.005 75 H GLU 7 HN GLU 7 -10.067 -1.919 -6.265 76 HA GLU 7 HA GLU 7 -7.941 -3.685 -5.459 77 1HB GLU 7 HB2 GLU 7 -9.908 -3.939 -7.748 78 2HB GLU 7 HB3 GLU 7 -8.862 -5.216 -7.141 79 1HG GLU 7 HG2 GLU 7 -11.082 -3.874 -5.614 80 2HG GLU 7 HG3 GLU 7 -11.142 -5.477 -6.345 81 H ASP 8 HN ASP 8 -8.580 -1.474 -8.128 82 HA ASP 8 HA ASP 8 -6.599 -2.383 -9.881 83 1HB ASP 8 HB2 ASP 8 -8.083 0.147 -9.610 84 2HB ASP 8 HB3 ASP 8 -6.759 0.047 -10.761 85 H ILE 9 HN ILE 9 -6.442 0.324 -7.585 86 HA ILE 9 HA ILE 9 -3.717 0.911 -8.057 87 HB ILE 9 HB ILE 9 -5.625 1.607 -5.827 88 1HG1 ILE 9 HG12 ILE 9 -4.153 3.272 -7.879 89 2HG1 ILE 9 HG13 ILE 9 -5.843 2.797 -7.958 90 1HG2 ILE 9 HG21 ILE 9 -3.469 3.238 -5.385 91 2HG2 ILE 9 HG22 ILE 9 -3.881 1.810 -4.436 92 3HG2 ILE 9 HG23 ILE 9 -2.703 1.690 -5.742 93 1HD1 ILE 9 HD11 ILE 9 -4.604 5.000 -6.566 94 2HD1 ILE 9 HD12 ILE 9 -6.298 4.727 -6.972 95 3HD1 ILE 9 HD13 ILE 9 -5.620 4.031 -5.500 96 H ARG 10 HN ARG 10 -5.440 -0.965 -5.582 97 HA ARG 10 HA ARG 10 -3.236 -1.786 -4.067 98 1HB ARG 10 HB2 ARG 10 -5.782 -2.192 -3.670 99 2HB ARG 10 HB3 ARG 10 -5.562 -3.607 -4.683 100 1HG ARG 10 HG2 ARG 10 -3.841 -4.430 -3.130 101 2HG ARG 10 HG3 ARG 10 -4.147 -3.037 -2.090 102 1HD ARG 10 HD2 ARG 10 -5.344 -4.971 -1.263 103 2HD ARG 10 HD3 ARG 10 -6.482 -3.756 -1.842 104 HE ARG 10 HE ARG 10 -5.958 -5.532 -3.935 105 1HH1 ARG 10 HH12 ARG 10 -7.502 -5.517 -0.804 106 2HH1 ARG 10 HH11 ARG 10 -8.621 -6.773 -1.212 107 1HH2 ARG 10 HH22 ARG 10 -7.432 -7.183 -4.473 108 2HH2 ARG 10 HH21 ARG 10 -8.582 -7.719 -3.295 109 H GLY 11 HN GLY 11 -4.435 -2.768 -7.182 110 1HA GLY 11 HA1 GLY 11 -3.023 -5.226 -7.419 111 2HA GLY 11 HA2 GLY 11 -3.585 -4.227 -8.761 112 H GLN 12 HN GLN 12 -2.294 -1.897 -8.261 113 HA GLN 12 HA GLN 12 0.302 -2.387 -9.299 114 1HB GLN 12 HB2 GLN 12 -0.937 0.123 -8.154 115 2HB GLN 12 HB3 GLN 12 0.586 0.067 -9.024 116 1HG GLN 12 HG2 GLN 12 -0.604 -0.752 -11.011 117 2HG GLN 12 HG3 GLN 12 -2.123 -0.628 -10.126 118 1HE2 GLN 12 HE21 GLN 12 -3.237 1.108 -10.613 119 2HE2 GLN 12 HE22 GLN 12 -2.593 2.650 -11.052 120 H ILE 13 HN ILE 13 -1.031 -1.925 -6.120 121 HA ILE 13 HA ILE 13 1.395 -1.304 -4.770 122 HB ILE 13 HB ILE 13 -1.184 -2.451 -3.695 123 1HG1 ILE 13 HG12 ILE 13 -0.104 0.376 -3.691 124 2HG1 ILE 13 HG13 ILE 13 -1.412 -0.217 -4.706 125 1HG2 ILE 13 HG21 ILE 13 1.387 -1.821 -2.409 126 2HG2 ILE 13 HG22 ILE 13 -0.047 -1.205 -1.588 127 3HG2 ILE 13 HG23 ILE 13 0.110 -2.930 -1.914 128 1HD1 ILE 13 HD11 ILE 13 -2.720 0.611 -3.097 129 2HD1 ILE 13 HD12 ILE 13 -2.320 -0.879 -2.241 130 3HD1 ILE 13 HD13 ILE 13 -1.424 0.601 -1.900 131 H ILE 14 HN ILE 14 -0.415 -4.295 -5.352 132 HA ILE 14 HA ILE 14 1.174 -6.015 -3.820 133 HB ILE 14 HB ILE 14 -0.534 -6.457 -6.254 134 1HG1 ILE 14 HG12 ILE 14 -1.687 -6.030 -4.149 135 2HG1 ILE 14 HG13 ILE 14 -1.928 -7.705 -4.634 136 1HG2 ILE 14 HG21 ILE 14 1.077 -8.538 -4.778 137 2HG2 ILE 14 HG22 ILE 14 -0.249 -8.906 -5.881 138 3HG2 ILE 14 HG23 ILE 14 1.201 -8.103 -6.483 139 1HD1 ILE 14 HD11 ILE 14 0.036 -8.230 -3.085 140 2HD1 ILE 14 HD12 ILE 14 -0.240 -6.618 -2.424 141 3HD1 ILE 14 HD13 ILE 14 -1.521 -7.826 -2.364 142 H GLY 15 HN GLY 15 1.410 -5.113 -7.257 143 1HA GLY 15 HA1 GLY 15 3.762 -6.625 -7.769 144 2HA GLY 15 HA2 GLY 15 3.163 -5.286 -8.745 145 H ALA 16 HN ALA 16 3.152 -3.336 -6.712 146 HA ALA 16 HA ALA 16 5.759 -2.317 -6.887 147 1HB ALA 16 HB1 ALA 16 4.723 -0.922 -4.813 148 2HB ALA 16 HB2 ALA 16 4.347 -0.591 -6.504 149 3HB ALA 16 HB3 ALA 16 3.243 -1.569 -5.530 150 H LEU 17 HN LEU 17 4.141 -4.239 -4.467 151 HA LEU 17 HA LEU 17 6.263 -4.021 -2.523 152 1HB LEU 17 HB2 LEU 17 3.709 -5.616 -2.656 153 2HB LEU 17 HB3 LEU 17 4.849 -5.766 -1.338 154 HG LEU 17 HG LEU 17 3.522 -3.162 -2.087 155 1HD1 LEU 17 HD11 LEU 17 2.599 -5.406 -0.372 156 2HD1 LEU 17 HD12 LEU 17 2.305 -3.758 0.178 157 3HD1 LEU 17 HD13 LEU 17 1.673 -4.292 -1.379 158 1HD2 LEU 17 HD21 LEU 17 5.735 -3.621 -0.549 159 2HD2 LEU 17 HD22 LEU 17 4.670 -2.224 -0.406 160 3HD2 LEU 17 HD23 LEU 17 4.446 -3.615 0.656 161 H ALA 18 HN ALA 18 5.216 -6.167 -5.030 162 HA ALA 18 HA ALA 18 6.607 -8.495 -4.253 163 1HB ALA 18 HB1 ALA 18 6.220 -7.993 -7.140 164 2HB ALA 18 HB2 ALA 18 5.821 -9.409 -6.166 165 3HB ALA 18 HB3 ALA 18 4.777 -7.988 -6.125 166 H GLY 19 HN GLY 19 8.587 -6.964 -3.638 167 1HA GLY 19 HA1 GLY 19 10.738 -7.788 -5.236 168 2HA GLY 19 HA2 GLY 19 10.357 -6.129 -5.662 169 H ALA 20 HN ALA 20 9.965 -7.411 -2.420 170 HA ALA 20 HA ALA 20 12.188 -5.681 -1.523 171 1HB ALA 20 HB1 ALA 20 10.865 -4.826 0.049 172 2HB ALA 20 HB2 ALA 20 9.519 -5.577 -0.806 173 3HB ALA 20 HB3 ALA 20 10.290 -6.420 0.538 174 H ASP 21 HN ASP 21 12.444 -6.519 1.009 175 HA ASP 21 HA ASP 21 14.046 -8.827 0.826 176 1HB ASP 21 HB2 ASP 21 12.834 -7.303 3.130 177 2HB ASP 21 HB3 ASP 21 13.831 -8.736 3.402 178 H PHE 22 HN PHE 22 12.156 -9.511 3.542 179 HA PHE 22 HA PHE 22 11.100 -11.865 2.372 180 1HB PHE 22 HB2 PHE 22 10.069 -12.308 4.465 181 2HB PHE 22 HB3 PHE 22 11.523 -11.430 4.880 182 HD1 PHE 22 HD1 PHE 22 10.935 -10.574 6.976 183 HD2 PHE 22 HD2 PHE 22 8.339 -9.926 3.690 184 HE1 PHE 22 HE1 PHE 22 9.607 -8.987 8.310 185 HE2 PHE 22 HE2 PHE 22 7.015 -8.345 4.984 186 HZ PHE 22 HZ PHE 22 7.646 -7.880 7.312 187 HA PRO 23 HA PRO 23 7.335 -10.305 0.701 188 1HB PRO 23 HB2 PRO 23 5.159 -11.246 1.988 189 2HB PRO 23 HB3 PRO 23 6.170 -12.262 0.962 190 1HG PRO 23 HG2 PRO 23 6.124 -12.024 3.939 191 2HG PRO 23 HG3 PRO 23 6.283 -13.474 2.930 192 1HD PRO 23 HD2 PRO 23 8.390 -12.232 4.139 193 2HD PRO 23 HD3 PRO 23 8.544 -13.171 2.641 194 H ILE 24 HN ILE 24 8.358 -8.264 1.949 195 HA ILE 24 HA ILE 24 7.404 -6.112 2.259 196 HB ILE 24 HB ILE 24 5.396 -7.502 4.012 197 1HG1 ILE 24 HG12 ILE 24 5.099 -7.909 1.601 198 2HG1 ILE 24 HG13 ILE 24 3.815 -6.880 2.230 199 1HG2 ILE 24 HG21 ILE 24 6.218 -4.930 4.311 200 2HG2 ILE 24 HG22 ILE 24 4.912 -4.744 3.148 201 3HG2 ILE 24 HG23 ILE 24 4.605 -5.510 4.698 202 1HD1 ILE 24 HD11 ILE 24 4.292 -5.580 0.495 203 2HD1 ILE 24 HD12 ILE 24 5.685 -5.063 1.446 204 3HD1 ILE 24 HD13 ILE 24 5.864 -6.336 0.238 205 H ASN 25 HN ASN 25 9.695 -6.364 3.287 206 HA ASN 25 HA ASN 25 9.944 -6.587 6.120 207 1HB ASN 25 HB2 ASN 25 11.664 -5.549 3.914 208 2HB ASN 25 HB3 ASN 25 12.061 -5.067 5.561 209 1HD2 ASN 25 HD21 ASN 25 10.584 -8.133 5.169 210 2HD2 ASN 25 HD22 ASN 25 12.001 -9.084 5.420 211 H SER 26 HN SER 26 7.899 -5.106 6.400 212 HA SER 26 HA SER 26 7.034 -3.133 7.152 213 1HB SER 26 HB2 SER 26 8.420 -1.765 8.521 214 2HB SER 26 HB3 SER 26 9.069 -3.394 8.690 215 HG SER 26 HG SER 26 10.874 -2.474 8.141 216 HA PRO 27 HA PRO 27 6.924 -0.295 3.867 217 1HB PRO 27 HB2 PRO 27 7.345 1.947 5.781 218 2HB PRO 27 HB3 PRO 27 6.080 1.733 4.565 219 1HG PRO 27 HG2 PRO 27 5.587 1.329 7.166 220 2HG PRO 27 HG3 PRO 27 4.834 0.324 5.915 221 1HD PRO 27 HD2 PRO 27 7.059 -0.328 7.780 222 2HD PRO 27 HD3 PRO 27 5.812 -1.387 7.085 223 H GLU 28 HN GLU 28 9.530 0.239 6.190 224 HA GLU 28 HA GLU 28 11.134 1.918 4.690 225 1HB GLU 28 HB2 GLU 28 12.080 -0.423 6.357 226 2HB GLU 28 HB3 GLU 28 13.032 0.987 5.909 227 1HG GLU 28 HG2 GLU 28 10.583 0.998 7.664 228 2HG GLU 28 HG3 GLU 28 12.255 1.118 8.212 229 H GLU 29 HN GLU 29 11.273 -1.653 4.697 230 HA GLU 29 HA GLU 29 13.019 -1.777 2.442 231 1HB GLU 29 HB2 GLU 29 12.895 -3.467 4.228 232 2HB GLU 29 HB3 GLU 29 11.267 -3.868 3.647 233 1HG GLU 29 HG2 GLU 29 12.905 -5.452 2.782 234 2HG GLU 29 HG3 GLU 29 12.206 -4.495 1.477 235 H LEU 30 HN LEU 30 9.651 -2.943 2.857 236 HA LEU 30 HA LEU 30 9.188 -3.682 0.255 237 1HB LEU 30 HB2 LEU 30 6.864 -3.522 0.725 238 2HB LEU 30 HB3 LEU 30 7.648 -3.977 2.221 239 HG LEU 30 HG LEU 30 7.616 -1.433 2.719 240 1HD1 LEU 30 HD11 LEU 30 6.544 -0.078 1.336 241 2HD1 LEU 30 HD12 LEU 30 6.356 -1.426 0.216 242 3HD1 LEU 30 HD13 LEU 30 5.097 -1.084 1.403 243 1HD2 LEU 30 HD21 LEU 30 6.373 -3.134 3.965 244 2HD2 LEU 30 HD22 LEU 30 5.451 -1.643 3.792 245 3HD2 LEU 30 HD23 LEU 30 5.068 -3.035 2.782 246 H MET 31 HN MET 31 8.983 -0.476 1.706 247 HA MET 31 HA MET 31 8.010 0.908 -0.566 248 1HB MET 31 HB2 MET 31 8.233 1.745 1.871 249 2HB MET 31 HB3 MET 31 9.902 2.093 1.449 250 1HG MET 31 HG2 MET 31 9.025 3.514 -0.405 251 2HG MET 31 HG3 MET 31 7.425 3.314 0.301 252 1HE MET 31 HE1 MET 31 7.168 4.656 3.380 253 2HE MET 31 HE2 MET 31 7.801 3.040 3.064 254 3HE MET 31 HE3 MET 31 8.752 4.192 3.999 255 H ALA 32 HN ALA 32 11.197 -0.140 0.577 256 HA ALA 32 HA ALA 32 12.667 1.350 -1.375 257 1HB ALA 32 HB1 ALA 32 13.934 -1.124 -0.528 258 2HB ALA 32 HB2 ALA 32 14.451 0.550 -0.314 259 3HB ALA 32 HB3 ALA 32 13.313 -0.174 0.821 260 H ALA 33 HN ALA 33 11.040 -1.719 -1.356 261 HA ALA 33 HA ALA 33 12.207 -2.878 -3.639 262 1HB ALA 33 HB1 ALA 33 9.576 -3.284 -2.255 263 2HB ALA 33 HB2 ALA 33 10.062 -4.225 -3.662 264 3HB ALA 33 HB3 ALA 33 11.020 -4.286 -2.185 265 H LEU 34 HN LEU 34 9.436 -0.752 -3.200 266 HA LEU 34 HA LEU 34 8.085 -0.851 -5.514 267 1HB LEU 34 HB2 LEU 34 8.888 1.458 -3.803 268 2HB LEU 34 HB3 LEU 34 8.017 1.767 -5.291 269 HG LEU 34 HG LEU 34 6.098 0.569 -4.530 270 1HD1 LEU 34 HD11 LEU 34 7.478 -0.188 -1.985 271 2HD1 LEU 34 HD12 LEU 34 5.979 -0.817 -2.659 272 3HD1 LEU 34 HD13 LEU 34 7.522 -1.236 -3.398 273 1HD2 LEU 34 HD21 LEU 34 5.489 2.336 -3.337 274 2HD2 LEU 34 HD22 LEU 34 6.345 1.691 -1.938 275 3HD2 LEU 34 HD23 LEU 34 7.181 2.750 -3.070 276 HA PRO 35 HA PRO 35 10.756 -0.367 -9.005 277 1HB PRO 35 HB2 PRO 35 8.902 1.147 -10.509 278 2HB PRO 35 HB3 PRO 35 9.133 -0.601 -10.558 279 1HG PRO 35 HG2 PRO 35 7.117 1.003 -9.070 280 2HG PRO 35 HG3 PRO 35 6.966 -0.609 -9.791 281 1HD PRO 35 HD2 PRO 35 7.195 -0.303 -7.152 282 2HD PRO 35 HD3 PRO 35 8.004 -1.647 -7.985 283 H ASN 36 HN ASN 36 9.106 2.395 -7.596 284 HA ASN 36 HA ASN 36 10.639 4.373 -8.965 285 1HB ASN 36 HB2 ASN 36 8.491 4.997 -8.120 286 2HB ASN 36 HB3 ASN 36 8.897 4.439 -6.503 287 1HD2 ASN 36 HD21 ASN 36 8.963 6.061 -5.212 288 2HD2 ASN 36 HD22 ASN 36 9.711 7.583 -5.495 289 H GLY 37 HN GLY 37 11.109 2.447 -6.113 290 1HA GLY 37 HA1 GLY 37 13.326 2.080 -5.292 291 2HA GLY 37 HA2 GLY 37 13.737 3.716 -5.771 292 HA PRO 38 HA PRO 38 12.831 5.060 -1.660 293 1HB PRO 38 HB2 PRO 38 11.770 7.479 -1.891 294 2HB PRO 38 HB3 PRO 38 13.385 7.145 -2.530 295 1HG PRO 38 HG2 PRO 38 10.761 7.254 -3.984 296 2HG PRO 38 HG3 PRO 38 12.313 7.995 -4.431 297 1HD PRO 38 HD2 PRO 38 11.415 5.614 -5.442 298 2HD PRO 38 HD3 PRO 38 13.132 6.029 -5.304 299 H ASP 39 HN ASP 39 9.935 5.472 -3.674 300 HA ASP 39 HA ASP 39 8.188 4.088 -2.085 301 1HB ASP 39 HB2 ASP 39 6.953 5.914 -1.022 302 2HB ASP 39 HB3 ASP 39 8.582 5.788 -0.405 303 H THR 40 HN THR 40 7.915 3.722 -4.551 304 HA THR 40 HA THR 40 6.732 5.672 -6.177 305 HB THR 40 HB THR 40 7.606 3.394 -6.952 306 HG1 THR 40 HG1 THR 40 6.654 4.312 -8.623 307 1HG2 THR 40 HG21 THR 40 6.516 1.487 -6.524 308 2HG2 THR 40 HG22 THR 40 4.944 2.217 -6.845 309 3HG2 THR 40 HG23 THR 40 5.688 2.390 -5.259 310 H THR 41 HN THR 41 4.589 6.282 -6.553 311 HA THR 41 HA THR 41 2.622 5.143 -4.677 312 HB THR 41 HB THR 41 2.915 7.427 -4.067 313 HG1 THR 41 HG1 THR 41 0.595 7.372 -5.701 314 1HG2 THR 41 HG21 THR 41 2.158 9.075 -6.072 315 2HG2 THR 41 HG22 THR 41 3.061 7.846 -6.963 316 3HG2 THR 41 HG23 THR 41 3.835 8.726 -5.645 317 H CYS 42 HN CYS 42 0.989 4.087 -5.522 318 HA CYS 42 HA CYS 42 0.612 3.947 -8.362 319 1HB CYS 42 HB2 CYS 42 -1.147 2.820 -6.174 320 2HB CYS 42 HB3 CYS 42 -1.095 2.305 -7.858 321 HG CYS 42 HG CYS 42 0.818 1.380 -5.295 322 H LYS 43 HN LYS 43 0.316 6.472 -8.083 323 HA LYS 43 HA LYS 43 -2.271 7.367 -7.287 324 1HB LYS 43 HB2 LYS 43 -1.559 9.531 -8.204 325 2HB LYS 43 HB3 LYS 43 -0.336 8.839 -7.148 326 1HG LYS 43 HG2 LYS 43 0.922 8.082 -9.103 327 2HG LYS 43 HG3 LYS 43 -0.304 8.785 -10.160 328 1HD LYS 43 HD2 LYS 43 0.173 11.002 -9.237 329 2HD LYS 43 HD3 LYS 43 1.398 10.297 -8.178 330 1HE LYS 43 HE2 LYS 43 2.422 11.314 -10.143 331 2HE LYS 43 HE3 LYS 43 2.672 9.568 -10.131 332 1HZ LYS 43 HZ1 LYS 43 0.623 11.016 -11.722 333 2HZ LYS 43 HZ2 LYS 43 0.845 9.340 -11.705 334 3HZ LYS 43 HZ3 LYS 43 2.055 10.345 -12.326 335 H SER 44 HN SER 44 -4.021 7.889 -8.480 336 HA SER 44 HA SER 44 -3.917 7.419 -11.377 337 1HB SER 44 HB2 SER 44 -6.065 6.405 -9.494 338 2HB SER 44 HB3 SER 44 -6.115 6.288 -11.254 339 HG SER 44 HG SER 44 -4.111 5.072 -11.060 340 H GLY 45 HN GLY 45 -4.686 9.092 -12.474 341 1HA GLY 45 HA1 GLY 45 -5.883 10.973 -13.022 342 2HA GLY 45 HA2 GLY 45 -7.029 10.520 -11.771 343 H ASP 46 HN ASP 46 -6.220 10.955 -9.469 344 HA ASP 46 HA ASP 46 -4.500 13.324 -9.325 345 1HB ASP 46 HB2 ASP 46 -7.313 13.158 -8.224 346 2HB ASP 46 HB3 ASP 46 -6.159 14.409 -7.781 347 H VAL 47 HN VAL 47 -6.394 10.948 -7.482 348 HA VAL 47 HA VAL 47 -5.064 11.337 -5.022 349 HB VAL 47 HB VAL 47 -6.504 8.862 -5.984 350 1HG1 VAL 47 HG11 VAL 47 -6.678 9.469 -3.158 351 2HG1 VAL 47 HG12 VAL 47 -6.205 7.972 -3.964 352 3HG1 VAL 47 HG13 VAL 47 -5.009 9.236 -3.676 353 1HG2 VAL 47 HG21 VAL 47 -8.062 10.595 -6.195 354 2HG2 VAL 47 HG22 VAL 47 -8.394 9.902 -4.608 355 3HG2 VAL 47 HG23 VAL 47 -7.487 11.409 -4.740 356 H GLU 48 HN GLU 48 -3.189 10.594 -4.244 357 HA GLU 48 HA GLU 48 -1.729 8.586 -5.821 358 1HB GLU 48 HB2 GLU 48 -0.502 10.589 -3.924 359 2HB GLU 48 HB3 GLU 48 0.320 9.585 -5.111 360 1HG GLU 48 HG2 GLU 48 -0.727 10.842 -6.917 361 2HG GLU 48 HG3 GLU 48 -1.579 11.836 -5.738 362 H LEU 49 HN LEU 49 -1.096 6.747 -4.836 363 HA LEU 49 HA LEU 49 -1.338 6.598 -1.907 364 1HB LEU 49 HB2 LEU 49 -2.240 4.544 -3.926 365 2HB LEU 49 HB3 LEU 49 -2.119 4.240 -2.205 366 HG LEU 49 HG LEU 49 -4.421 4.671 -2.815 367 1HD1 LEU 49 HD11 LEU 49 -4.902 6.533 -1.282 368 2HD1 LEU 49 HD12 LEU 49 -3.717 5.406 -0.621 369 3HD1 LEU 49 HD13 LEU 49 -3.189 6.954 -1.280 370 1HD2 LEU 49 HD21 LEU 49 -5.119 6.298 -4.188 371 2HD2 LEU 49 HD22 LEU 49 -4.049 7.501 -3.471 372 3HD2 LEU 49 HD23 LEU 49 -3.431 6.383 -4.686 373 H LYS 50 HN LYS 50 0.382 5.786 -0.895 374 HA LYS 50 HA LYS 50 2.151 3.899 -2.180 375 1HB LYS 50 HB2 LYS 50 4.162 5.257 -2.005 376 2HB LYS 50 HB3 LYS 50 2.985 6.075 -3.009 377 1HG LYS 50 HG2 LYS 50 2.472 7.642 -1.337 378 2HG LYS 50 HG3 LYS 50 3.272 6.682 -0.094 379 1HD LYS 50 HD2 LYS 50 4.617 8.623 -0.712 380 2HD LYS 50 HD3 LYS 50 5.436 7.120 -1.134 381 1HE LYS 50 HE2 LYS 50 4.719 7.376 -3.451 382 2HE LYS 50 HE3 LYS 50 3.877 8.866 -3.033 383 1HZ LYS 50 HZ1 LYS 50 5.804 9.782 -3.699 384 2HZ LYS 50 HZ2 LYS 50 6.714 8.385 -3.413 385 3HZ LYS 50 HZ3 LYS 50 6.315 9.410 -2.129 386 H ALA 51 HN ALA 51 4.324 4.138 -0.504 387 HA ALA 51 HA ALA 51 3.261 3.009 1.917 388 1HB ALA 51 HB1 ALA 51 5.357 2.192 2.310 389 2HB ALA 51 HB2 ALA 51 5.421 2.388 0.559 390 3HB ALA 51 HB3 ALA 51 6.153 3.599 1.608 391 H SER 52 HN SER 52 5.038 5.956 1.054 392 HA SER 52 HA SER 52 5.355 6.875 3.711 393 1HB SER 52 HB2 SER 52 6.749 7.719 1.899 394 2HB SER 52 HB3 SER 52 5.337 8.426 1.114 395 HG SER 52 HG SER 52 6.676 9.231 3.444 396 H ASP 53 HN ASP 53 3.072 7.926 1.170 397 HA ASP 53 HA ASP 53 1.582 9.588 2.914 398 1HB ASP 53 HB2 ASP 53 0.847 8.404 0.230 399 2HB ASP 53 HB3 ASP 53 -0.065 9.664 1.057 400 H ALA 54 HN ALA 54 1.030 6.294 1.687 401 HA ALA 54 HA ALA 54 -1.383 6.075 3.304 402 1HB ALA 54 HB1 ALA 54 -2.029 4.410 1.930 403 2HB ALA 54 HB2 ALA 54 -0.848 5.152 0.852 404 3HB ALA 54 HB3 ALA 54 -0.405 3.735 1.804 405 H GLY 55 HN GLY 55 1.681 4.284 2.941 406 1HA GLY 55 HA1 GLY 55 1.320 2.414 4.943 407 2HA GLY 55 HA2 GLY 55 2.884 3.030 4.445 408 H GLN 56 HN GLN 56 1.923 5.807 5.335 409 HA GLN 56 HA GLN 56 3.232 6.047 7.704 410 1HB GLN 56 HB2 GLN 56 1.890 8.050 8.176 411 2HB GLN 56 HB3 GLN 56 2.393 7.989 6.493 412 1HG GLN 56 HG2 GLN 56 0.217 7.372 5.784 413 2HG GLN 56 HG3 GLN 56 -0.309 7.082 7.441 414 1HE2 GLN 56 HE21 GLN 56 -0.605 9.162 4.976 415 2HE2 GLN 56 HE22 GLN 56 -0.914 10.626 5.837 416 H VAL 57 HN VAL 57 -0.004 4.853 7.230 417 HA VAL 57 HA VAL 57 -0.688 4.862 10.018 418 HB VAL 57 HB VAL 57 -2.719 3.671 9.309 419 1HG1 VAL 57 HG11 VAL 57 -3.077 5.574 7.323 420 2HG1 VAL 57 HG12 VAL 57 -3.371 5.790 9.048 421 3HG1 VAL 57 HG13 VAL 57 -1.818 6.261 8.353 422 1HG2 VAL 57 HG21 VAL 57 -1.120 3.293 6.865 423 2HG2 VAL 57 HG22 VAL 57 -2.402 2.297 7.548 424 3HG2 VAL 57 HG23 VAL 57 -2.809 3.729 6.603 425 H LEU 58 HN LEU 58 1.726 3.295 9.213 426 HA LEU 58 HA LEU 58 0.896 0.753 10.429 427 1HB LEU 58 HB2 LEU 58 3.033 0.897 8.306 428 2HB LEU 58 HB3 LEU 58 2.255 -0.530 8.967 429 HG LEU 58 HG LEU 58 0.877 1.523 7.232 430 1HD1 LEU 58 HD11 LEU 58 2.463 -0.869 6.605 431 2HD1 LEU 58 HD12 LEU 58 0.901 -0.765 5.793 432 3HD1 LEU 58 HD13 LEU 58 2.078 0.536 5.612 433 1HD2 LEU 58 HD21 LEU 58 -0.046 -0.799 8.778 434 2HD2 LEU 58 HD22 LEU 58 -0.938 0.606 8.193 435 3HD2 LEU 58 HD23 LEU 58 -0.607 -0.742 7.106 436 H THR 59 HN THR 59 1.802 0.813 12.387 437 HA THR 59 HA THR 59 4.102 2.331 13.034 438 HB THR 59 HB THR 59 4.005 1.231 15.234 439 HG1 THR 59 HG1 THR 59 2.835 -0.539 15.551 440 1HG2 THR 59 HG21 THR 59 1.569 1.832 15.738 441 2HG2 THR 59 HG22 THR 59 1.445 2.248 14.028 442 3HG2 THR 59 HG23 THR 59 2.591 3.101 15.062 443 H ALA 60 HN ALA 60 6.127 1.555 13.872 444 HA ALA 60 HA ALA 60 7.563 -0.070 12.194 445 1HB ALA 60 HB1 ALA 60 9.318 0.314 13.564 446 2HB ALA 60 HB2 ALA 60 8.203 1.460 14.308 447 3HB ALA 60 HB3 ALA 60 8.425 -0.140 15.016 448 H ASP 61 HN ASP 61 5.757 -0.996 15.078 449 HA ASP 61 HA ASP 61 6.644 -3.593 15.435 450 1HB ASP 61 HB2 ASP 61 5.091 -2.469 16.972 451 2HB ASP 61 HB3 ASP 61 3.820 -2.548 15.757 452 H ASP 62 HN ASP 62 4.659 -2.263 12.928 453 HA ASP 62 HA ASP 62 3.513 -4.698 12.003 454 1HB ASP 62 HB2 ASP 62 3.958 -2.111 10.506 455 2HB ASP 62 HB3 ASP 62 2.880 -3.412 10.025 456 H PHE 63 HN PHE 63 6.701 -3.921 12.046 457 HA PHE 63 HA PHE 63 7.812 -4.112 9.615 458 1HB PHE 63 HB2 PHE 63 8.617 -4.928 12.269 459 2HB PHE 63 HB3 PHE 63 9.284 -6.013 11.054 460 HD1 PHE 63 HD1 PHE 63 8.683 -2.337 11.211 461 HD2 PHE 63 HD2 PHE 63 11.464 -5.492 10.574 462 HE1 PHE 63 HE1 PHE 63 10.434 -0.687 10.706 463 HE2 PHE 63 HE2 PHE 63 13.221 -3.849 10.070 464 HZ PHE 63 HZ PHE 63 12.737 -1.464 10.162 465 HA PRO 64 HA PRO 64 7.263 -8.837 9.162 466 1HB PRO 64 HB2 PRO 64 5.969 -10.238 11.058 467 2HB PRO 64 HB3 PRO 64 7.690 -9.853 11.188 468 1HG PRO 64 HG2 PRO 64 5.347 -8.516 12.488 469 2HG PRO 64 HG3 PRO 64 6.920 -8.944 13.187 470 1HD PRO 64 HD2 PRO 64 6.286 -6.429 12.326 471 2HD PRO 64 HD3 PRO 64 7.941 -7.069 12.345 472 H PHE 65 HN PHE 65 5.777 -7.553 7.744 473 HA PHE 65 HA PHE 65 2.964 -7.568 8.292 474 1HB PHE 65 HB2 PHE 65 4.740 -6.507 6.261 475 2HB PHE 65 HB3 PHE 65 3.306 -7.236 5.540 476 HD1 PHE 65 HD1 PHE 65 4.558 -4.498 7.638 477 HD2 PHE 65 HD2 PHE 65 1.139 -6.335 5.928 478 HE1 PHE 65 HE1 PHE 65 3.229 -2.495 8.145 479 HE2 PHE 65 HE2 PHE 65 -0.200 -4.351 6.415 480 HZ PHE 65 HZ PHE 65 0.842 -2.413 7.532 481 H LYS 66 HN LYS 66 1.394 -8.892 7.467 482 HA LYS 66 HA LYS 66 2.117 -11.560 6.816 483 1HB LYS 66 HB2 LYS 66 -0.557 -10.177 6.610 484 2HB LYS 66 HB3 LYS 66 -0.302 -11.909 6.481 485 1HG LYS 66 HG2 LYS 66 0.502 -11.984 8.773 486 2HG LYS 66 HG3 LYS 66 0.306 -10.235 8.910 487 1HD LYS 66 HD2 LYS 66 -1.572 -11.364 9.946 488 2HD LYS 66 HD3 LYS 66 -2.110 -10.498 8.506 489 1HE LYS 66 HE2 LYS 66 -2.095 -12.571 7.232 490 2HE LYS 66 HE3 LYS 66 -1.490 -13.448 8.637 491 1HZ LYS 66 HZ1 LYS 66 -4.063 -13.283 8.009 492 2HZ LYS 66 HZ2 LYS 66 -3.944 -11.940 9.030 493 3HZ LYS 66 HZ3 LYS 66 -3.511 -13.473 9.599 494 H SER 67 HN SER 67 3.534 -10.714 5.014 495 HA SER 67 HA SER 67 4.036 -10.658 2.823 496 1HB SER 67 HB2 SER 67 1.332 -11.940 2.458 497 2HB SER 67 HB3 SER 67 2.648 -11.932 1.285 498 HG SER 67 HG SER 67 2.314 -13.818 2.847 499 H ALA 68 HN ALA 68 3.544 -9.697 0.738 500 HA ALA 68 HA ALA 68 2.739 -7.069 0.893 501 1HB ALA 68 HB1 ALA 68 4.046 -7.605 -0.945 502 2HB ALA 68 HB2 ALA 68 3.023 -8.967 -1.399 503 3HB ALA 68 HB3 ALA 68 2.460 -7.317 -1.663 504 H GLU 69 HN GLU 69 0.794 -9.911 0.337 505 HA GLU 69 HA GLU 69 -1.475 -8.702 -0.743 506 1HB GLU 69 HB2 GLU 69 -2.709 -10.665 0.149 507 2HB GLU 69 HB3 GLU 69 -1.268 -11.093 -0.764 508 1HG GLU 69 HG2 GLU 69 -0.070 -11.361 1.366 509 2HG GLU 69 HG3 GLU 69 -1.579 -11.033 2.213 510 H GLU 70 HN GLU 70 -0.625 -9.243 2.719 511 HA GLU 70 HA GLU 70 -3.063 -8.073 3.577 512 1HB GLU 70 HB2 GLU 70 -2.444 -8.532 5.713 513 2HB GLU 70 HB3 GLU 70 -1.381 -9.644 4.869 514 1HG GLU 70 HG2 GLU 70 0.431 -8.640 5.647 515 2HG GLU 70 HG3 GLU 70 -0.169 -7.051 5.197 516 H VAL 71 HN VAL 71 0.124 -6.842 2.884 517 HA VAL 71 HA VAL 71 -0.215 -4.283 4.047 518 HB VAL 71 HB VAL 71 1.460 -5.028 1.647 519 1HG1 VAL 71 HG11 VAL 71 1.304 -2.696 1.607 520 2HG1 VAL 71 HG12 VAL 71 1.343 -2.572 3.365 521 3HG1 VAL 71 HG13 VAL 71 2.804 -3.010 2.479 522 1HG2 VAL 71 HG21 VAL 71 3.151 -5.638 3.045 523 2HG2 VAL 71 HG22 VAL 71 2.594 -4.616 4.361 524 3HG2 VAL 71 HG23 VAL 71 1.776 -6.140 4.019 525 H ALA 72 HN ALA 72 -0.938 -5.578 0.839 526 HA ALA 72 HA ALA 72 -1.685 -3.222 -0.442 527 1HB ALA 72 HB1 ALA 72 -1.785 -5.992 -0.990 528 2HB ALA 72 HB2 ALA 72 -3.391 -5.338 -1.308 529 3HB ALA 72 HB3 ALA 72 -1.983 -4.649 -2.116 530 H ASP 73 HN ASP 73 -3.709 -5.534 1.362 531 HA ASP 73 HA ASP 73 -6.099 -4.023 1.102 532 1HB ASP 73 HB2 ASP 73 -5.347 -6.102 3.170 533 2HB ASP 73 HB3 ASP 73 -6.974 -5.502 2.875 534 H THR 74 HN THR 74 -3.733 -4.347 3.716 535 HA THR 74 HA THR 74 -4.928 -2.757 5.639 536 HB THR 74 HB THR 74 -1.970 -3.044 5.077 537 HG1 THR 74 HG1 THR 74 -2.229 -4.681 6.780 538 1HG2 THR 74 HG21 THR 74 -1.611 -2.443 7.375 539 2HG2 THR 74 HG22 THR 74 -3.348 -2.352 7.671 540 3HG2 THR 74 HG23 THR 74 -2.571 -1.174 6.614 541 H ILE 75 HN ILE 75 -2.622 -1.757 3.110 542 HA ILE 75 HA ILE 75 -2.491 0.947 3.827 543 HB ILE 75 HB ILE 75 -2.073 -0.392 1.156 544 1HG1 ILE 75 HG12 ILE 75 -0.138 0.660 3.231 545 2HG1 ILE 75 HG13 ILE 75 -0.508 -1.035 2.940 546 1HG2 ILE 75 HG21 ILE 75 -2.212 1.657 0.271 547 2HG2 ILE 75 HG22 ILE 75 -2.148 2.443 1.848 548 3HG2 ILE 75 HG23 ILE 75 -0.656 1.945 1.050 549 1HD1 ILE 75 HD11 ILE 75 1.583 -0.497 1.911 550 2HD1 ILE 75 HD12 ILE 75 0.387 -0.780 0.645 551 3HD1 ILE 75 HD13 ILE 75 0.862 0.867 1.058 552 H VAL 76 HN VAL 76 -4.420 -0.553 1.219 553 HA VAL 76 HA VAL 76 -5.784 1.765 0.481 554 HB VAL 76 HB VAL 76 -7.518 0.219 -0.474 555 1HG1 VAL 76 HG11 VAL 76 -5.981 0.700 -2.065 556 2HG1 VAL 76 HG12 VAL 76 -4.622 0.168 -1.075 557 3HG1 VAL 76 HG13 VAL 76 -5.638 -1.021 -1.892 558 1HG2 VAL 76 HG21 VAL 76 -5.904 -1.739 1.069 559 2HG2 VAL 76 HG22 VAL 76 -7.641 -1.688 0.779 560 3HG2 VAL 76 HG23 VAL 76 -6.550 -2.237 -0.493 561 H ASN 77 HN ASN 77 -6.621 -0.663 2.929 562 HA ASN 77 HA ASN 77 -9.203 0.298 3.494 563 1HB ASN 77 HB2 ASN 77 -7.222 -1.233 5.184 564 2HB ASN 77 HB3 ASN 77 -8.847 -0.838 5.740 565 1HD2 ASN 77 HD21 ASN 77 -7.208 -3.323 4.749 566 2HD2 ASN 77 HD22 ASN 77 -8.375 -4.167 3.794 567 H LYS 78 HN LYS 78 -6.161 0.879 5.249 568 HA LYS 78 HA LYS 78 -7.301 2.822 6.984 569 1HB LYS 78 HB2 LYS 78 -4.425 2.183 6.342 570 2HB LYS 78 HB3 LYS 78 -4.950 3.222 7.661 571 1HG LYS 78 HG2 LYS 78 -6.127 1.346 8.685 572 2HG LYS 78 HG3 LYS 78 -5.621 0.300 7.358 573 1HD LYS 78 HD2 LYS 78 -3.290 0.618 7.968 574 2HD LYS 78 HD3 LYS 78 -3.760 1.728 9.257 575 1HE LYS 78 HE2 LYS 78 -4.500 -1.191 9.073 576 2HE LYS 78 HE3 LYS 78 -3.266 -0.504 10.128 577 1HZ LYS 78 HZ1 LYS 78 -6.184 0.034 10.238 578 2HZ LYS 78 HZ2 LYS 78 -5.029 0.822 11.191 579 3HZ LYS 78 HZ3 LYS 78 -5.276 -0.844 11.364 580 H ALA 79 HN ALA 79 -5.354 3.025 4.043 581 HA ALA 79 HA ALA 79 -4.904 5.810 4.156 582 1HB ALA 79 HB1 ALA 79 -3.688 4.067 2.760 583 2HB ALA 79 HB2 ALA 79 -5.010 4.239 1.604 584 3HB ALA 79 HB3 ALA 79 -4.003 5.630 2.007 585 H GLY 80 HN GLY 80 -7.621 3.943 2.918 586 1HA GLY 80 HA1 GLY 80 -9.530 5.838 3.028 587 2HA GLY 80 HA2 GLY 80 -8.704 6.249 1.531 588 H LEU 81 HN LEU 81 -8.237 4.058 0.258 589 HA LEU 81 HA LEU 81 -10.742 3.286 -0.754 590 1HB LEU 81 HB2 LEU 81 -8.094 1.910 -1.181 591 2HB LEU 81 HB3 LEU 81 -9.494 1.873 -2.244 592 HG LEU 81 HG LEU 81 -7.984 4.407 -1.594 593 1HD1 LEU 81 HD11 LEU 81 -7.508 2.321 -3.683 594 2HD1 LEU 81 HD12 LEU 81 -7.206 4.018 -4.057 595 3HD1 LEU 81 HD13 LEU 81 -6.347 3.243 -2.726 596 1HD2 LEU 81 HD21 LEU 81 -9.108 5.213 -3.641 597 2HD2 LEU 81 HD22 LEU 81 -9.995 3.690 -3.727 598 3HD2 LEU 81 HD23 LEU 81 -10.240 4.779 -2.360 Start of MODEL 20 1 1H GLY -3 HT1 GLY -3 -15.812 3.003 2.301 2 2H GLY -3 HT2 GLY -3 -14.651 2.426 3.387 3 3H GLY -3 HT3 GLY -3 -15.022 4.076 3.343 4 1HA GLY -3 HA2 GLY -3 -16.122 2.190 5.007 5 2HA GLY -3 HA1 GLY -3 -16.670 3.843 4.781 6 H SER -2 HN SER -2 -17.665 3.740 2.206 7 HA SER -2 HA SER -2 -20.235 2.701 2.619 8 1HB SER -2 HB2 SER -2 -19.802 4.538 1.061 9 2HB SER -2 HB3 SER -2 -18.881 3.455 0.017 10 HG SER -2 HG SER -2 -21.112 3.803 -0.615 11 H HIS -1 HN HIS -1 -21.141 0.773 2.246 12 HA HIS -1 HA HIS -1 -19.527 -1.488 1.696 13 1HB HIS -1 HB2 HIS -1 -22.540 -1.218 1.753 14 2HB HIS -1 HB3 HIS -1 -21.662 -2.744 1.725 15 HD1 HIS -1 HD1 HIS -1 -19.741 -2.724 3.861 16 HD2 HIS -1 HD2 HIS -1 -23.318 -0.648 4.265 17 HE1 HIS -1 HE1 HIS -1 -20.074 -2.431 6.337 18 HE2 HIS -1 HE2 HIS -1 -22.289 -1.252 6.559 19 H MET 1 HN MET 1 -19.258 -2.694 -0.118 20 HA MET 1 HA MET 1 -19.196 -3.242 -2.322 21 1HB MET 1 HB2 MET 1 -21.896 -1.883 -2.390 22 2HB MET 1 HB3 MET 1 -21.236 -2.897 -3.666 23 1HG MET 1 HG2 MET 1 -21.210 -4.803 -2.142 24 2HG MET 1 HG3 MET 1 -21.867 -3.787 -0.860 25 1HE MET 1 HE1 MET 1 -24.173 -4.772 -4.735 26 2HE MET 1 HE2 MET 1 -22.793 -3.675 -4.667 27 3HE MET 1 HE3 MET 1 -22.562 -5.401 -4.388 28 H LYS 2 HN LYS 2 -17.761 -1.017 -1.640 29 HA LYS 2 HA LYS 2 -18.291 1.301 -3.130 30 1HB LYS 2 HB2 LYS 2 -16.684 1.345 -1.341 31 2HB LYS 2 HB3 LYS 2 -15.695 0.125 -2.128 32 1HG LYS 2 HG2 LYS 2 -15.031 1.649 -3.831 33 2HG LYS 2 HG3 LYS 2 -16.203 2.852 -3.288 34 1HD LYS 2 HD2 LYS 2 -15.006 3.183 -1.236 35 2HD LYS 2 HD3 LYS 2 -13.921 1.838 -1.598 36 1HE LYS 2 HE2 LYS 2 -12.892 3.025 -3.367 37 2HE LYS 2 HE3 LYS 2 -14.137 4.276 -3.349 38 1HZ LYS 2 HZ1 LYS 2 -13.236 4.477 -0.871 39 2HZ LYS 2 HZ2 LYS 2 -12.566 5.346 -2.158 40 3HZ LYS 2 HZ3 LYS 2 -11.825 3.926 -1.621 41 H MET 3 HN MET 3 -15.870 -1.217 -3.854 42 HA MET 3 HA MET 3 -14.981 -1.967 -5.807 43 1HB MET 3 HB2 MET 3 -17.701 -1.205 -6.881 44 2HB MET 3 HB3 MET 3 -16.538 -2.235 -7.702 45 1HG MET 3 HG2 MET 3 -17.873 -2.826 -5.071 46 2HG MET 3 HG3 MET 3 -18.284 -3.540 -6.629 47 1HE MET 3 HE1 MET 3 -18.056 -5.190 -4.400 48 2HE MET 3 HE2 MET 3 -17.657 -6.352 -5.666 49 3HE MET 3 HE3 MET 3 -16.634 -6.220 -4.236 50 H GLY 4 HN GLY 4 -13.605 -1.222 -7.248 51 1HA GLY 4 HA1 GLY 4 -13.846 0.667 -9.166 52 2HA GLY 4 HA2 GLY 4 -13.499 1.620 -7.730 53 H VAL 5 HN VAL 5 -11.504 2.322 -8.342 54 HA VAL 5 HA VAL 5 -9.491 0.509 -9.279 55 HB VAL 5 HB VAL 5 -9.651 3.025 -9.795 56 1HG1 VAL 5 HG11 VAL 5 -9.588 3.609 -7.320 57 2HG1 VAL 5 HG12 VAL 5 -7.865 3.210 -7.388 58 3HG1 VAL 5 HG13 VAL 5 -8.511 4.533 -8.368 59 1HG2 VAL 5 HG21 VAL 5 -7.900 1.737 -10.734 60 2HG2 VAL 5 HG22 VAL 5 -7.191 3.205 -10.069 61 3HG2 VAL 5 HG23 VAL 5 -7.044 1.686 -9.193 62 H LYS 6 HN LYS 6 -10.739 1.068 -6.233 63 HA LYS 6 HA LYS 6 -8.631 1.361 -4.526 64 1HB LYS 6 HB2 LYS 6 -10.895 1.117 -3.704 65 2HB LYS 6 HB3 LYS 6 -10.985 -0.530 -4.305 66 1HG LYS 6 HG2 LYS 6 -8.980 0.253 -2.222 67 2HG LYS 6 HG3 LYS 6 -10.643 -0.150 -1.795 68 1HD LYS 6 HD2 LYS 6 -10.311 -2.321 -3.043 69 2HD LYS 6 HD3 LYS 6 -8.598 -1.915 -3.132 70 1HE LYS 6 HE2 LYS 6 -8.498 -1.801 -0.693 71 2HE LYS 6 HE3 LYS 6 -10.208 -2.218 -0.603 72 1HZ LYS 6 HZ1 LYS 6 -9.781 -4.358 -1.455 73 2HZ LYS 6 HZ2 LYS 6 -8.604 -4.099 -0.267 74 3HZ LYS 6 HZ3 LYS 6 -8.198 -3.964 -1.904 75 H GLU 7 HN GLU 7 -9.747 -1.677 -5.975 76 HA GLU 7 HA GLU 7 -7.409 -3.103 -5.074 77 1HB GLU 7 HB2 GLU 7 -9.549 -4.277 -5.293 78 2HB GLU 7 HB3 GLU 7 -9.598 -3.910 -7.011 79 1HG GLU 7 HG2 GLU 7 -7.594 -5.262 -7.359 80 2HG GLU 7 HG3 GLU 7 -7.547 -5.632 -5.636 81 H ASP 8 HN ASP 8 -8.342 -1.303 -7.922 82 HA ASP 8 HA ASP 8 -6.532 -2.462 -9.742 83 1HB ASP 8 HB2 ASP 8 -7.973 0.122 -9.699 84 2HB ASP 8 HB3 ASP 8 -6.854 -0.265 -10.995 85 H ILE 9 HN ILE 9 -6.273 0.556 -7.893 86 HA ILE 9 HA ILE 9 -3.608 1.127 -8.662 87 HB ILE 9 HB ILE 9 -5.439 2.116 -6.491 88 1HG1 ILE 9 HG12 ILE 9 -3.940 3.492 -8.726 89 2HG1 ILE 9 HG13 ILE 9 -5.637 3.029 -8.756 90 1HG2 ILE 9 HG21 ILE 9 -3.642 2.350 -5.142 91 2HG2 ILE 9 HG22 ILE 9 -2.491 2.286 -6.476 92 3HG2 ILE 9 HG23 ILE 9 -3.364 3.780 -6.135 93 1HD1 ILE 9 HD11 ILE 9 -6.110 5.044 -7.978 94 2HD1 ILE 9 HD12 ILE 9 -5.349 4.572 -6.458 95 3HD1 ILE 9 HD13 ILE 9 -4.403 5.394 -7.699 96 H ARG 10 HN ARG 10 -5.132 -0.502 -5.927 97 HA ARG 10 HA ARG 10 -2.793 -1.079 -4.455 98 1HB ARG 10 HB2 ARG 10 -5.362 -1.441 -3.906 99 2HB ARG 10 HB3 ARG 10 -5.079 -3.028 -4.607 100 1HG ARG 10 HG2 ARG 10 -4.825 -3.209 -2.256 101 2HG ARG 10 HG3 ARG 10 -3.210 -3.314 -2.974 102 1HD ARG 10 HD2 ARG 10 -3.682 -0.596 -2.549 103 2HD ARG 10 HD3 ARG 10 -4.273 -1.412 -1.106 104 HE ARG 10 HE ARG 10 -1.777 -2.479 -1.675 105 1HH1 ARG 10 HH12 ARG 10 -3.073 0.656 -0.866 106 2HH1 ARG 10 HH11 ARG 10 -1.687 1.134 0.053 107 1HH2 ARG 10 HH22 ARG 10 0.052 -1.849 -0.452 108 2HH2 ARG 10 HH21 ARG 10 0.087 -0.279 0.274 109 H GLY 11 HN GLY 11 -4.247 -2.409 -7.317 110 1HA GLY 11 HA1 GLY 11 -2.882 -4.890 -7.405 111 2HA GLY 11 HA2 GLY 11 -3.498 -4.010 -8.804 112 H GLN 12 HN GLN 12 -2.111 -1.667 -8.566 113 HA GLN 12 HA GLN 12 0.377 -2.291 -9.760 114 1HB GLN 12 HB2 GLN 12 -1.054 -0.133 -9.974 115 2HB GLN 12 HB3 GLN 12 -0.284 0.354 -8.480 116 1HG GLN 12 HG2 GLN 12 1.880 0.307 -9.474 117 2HG GLN 12 HG3 GLN 12 1.246 -0.421 -10.946 118 1HE2 GLN 12 HE21 GLN 12 -1.080 1.709 -10.195 119 2HE2 GLN 12 HE22 GLN 12 -0.501 3.105 -11.026 120 H ILE 13 HN ILE 13 -0.687 -1.682 -6.516 121 HA ILE 13 HA ILE 13 1.873 -1.175 -5.370 122 HB ILE 13 HB ILE 13 -0.765 -1.916 -4.115 123 1HG1 ILE 13 HG12 ILE 13 0.698 0.715 -4.393 124 2HG1 ILE 13 HG13 ILE 13 -0.751 0.237 -5.270 125 1HG2 ILE 13 HG21 ILE 13 0.317 -2.295 -2.216 126 2HG2 ILE 13 HG22 ILE 13 1.860 -1.847 -2.948 127 3HG2 ILE 13 HG23 ILE 13 0.832 -0.607 -2.230 128 1HD1 ILE 13 HD11 ILE 13 -1.918 0.086 -3.065 129 2HD1 ILE 13 HD12 ILE 13 -0.486 0.815 -2.338 130 3HD1 ILE 13 HD13 ILE 13 -1.414 1.707 -3.542 131 H ILE 14 HN ILE 14 -0.250 -4.042 -5.476 132 HA ILE 14 HA ILE 14 1.314 -5.717 -3.888 133 HB ILE 14 HB ILE 14 -0.683 -6.209 -6.056 134 1HG1 ILE 14 HG12 ILE 14 -1.458 -5.691 -3.796 135 2HG1 ILE 14 HG13 ILE 14 -1.868 -7.353 -4.212 136 1HG2 ILE 14 HG21 ILE 14 0.889 -7.950 -6.529 137 2HG2 ILE 14 HG22 ILE 14 1.058 -8.338 -4.818 138 3HG2 ILE 14 HG23 ILE 14 -0.461 -8.669 -5.651 139 1HD1 ILE 14 HD11 ILE 14 0.133 -6.328 -2.264 140 2HD1 ILE 14 HD12 ILE 14 -1.095 -7.579 -2.071 141 3HD1 ILE 14 HD13 ILE 14 0.363 -7.911 -3.005 142 H GLY 15 HN GLY 15 1.380 -5.282 -7.428 143 1HA GLY 15 HA1 GLY 15 3.559 -7.039 -7.875 144 2HA GLY 15 HA2 GLY 15 3.026 -5.764 -8.967 145 H ALA 16 HN ALA 16 3.306 -3.636 -7.115 146 HA ALA 16 HA ALA 16 5.997 -2.912 -7.547 147 1HB ALA 16 HB1 ALA 16 3.600 -1.713 -6.358 148 2HB ALA 16 HB2 ALA 16 5.113 -1.171 -5.628 149 3HB ALA 16 HB3 ALA 16 4.865 -0.987 -7.365 150 H LEU 17 HN LEU 17 4.375 -4.498 -4.925 151 HA LEU 17 HA LEU 17 6.507 -4.086 -3.018 152 1HB LEU 17 HB2 LEU 17 3.940 -5.661 -2.970 153 2HB LEU 17 HB3 LEU 17 5.103 -5.728 -1.662 154 HG LEU 17 HG LEU 17 3.902 -3.124 -2.581 155 1HD1 LEU 17 HD11 LEU 17 2.369 -5.151 -1.605 156 2HD1 LEU 17 HD12 LEU 17 2.835 -4.312 -0.125 157 3HD1 LEU 17 HD13 LEU 17 2.013 -3.435 -1.415 158 1HD2 LEU 17 HD21 LEU 17 5.896 -3.872 -0.696 159 2HD2 LEU 17 HD22 LEU 17 5.264 -2.265 -1.052 160 3HD2 LEU 17 HD23 LEU 17 4.504 -3.255 0.196 161 H ALA 18 HN ALA 18 5.528 -6.426 -5.352 162 HA ALA 18 HA ALA 18 6.836 -8.710 -4.355 163 1HB ALA 18 HB1 ALA 18 5.152 -8.293 -6.380 164 2HB ALA 18 HB2 ALA 18 6.662 -8.384 -7.287 165 3HB ALA 18 HB3 ALA 18 6.169 -9.729 -6.259 166 H GLY 19 HN GLY 19 8.796 -7.208 -3.683 167 1HA GLY 19 HA1 GLY 19 11.061 -8.153 -4.986 168 2HA GLY 19 HA2 GLY 19 10.731 -6.564 -5.659 169 H ALA 20 HN ALA 20 10.108 -7.527 -2.333 170 HA ALA 20 HA ALA 20 12.032 -5.485 -1.431 171 1HB ALA 20 HB1 ALA 20 9.441 -5.608 -0.833 172 2HB ALA 20 HB2 ALA 20 10.058 -6.660 0.440 173 3HB ALA 20 HB3 ALA 20 10.646 -5.003 0.304 174 H ASP 21 HN ASP 21 12.589 -6.112 1.055 175 HA ASP 21 HA ASP 21 14.504 -8.135 0.982 176 1HB ASP 21 HB2 ASP 21 13.033 -6.709 3.175 177 2HB ASP 21 HB3 ASP 21 14.082 -8.068 3.588 178 H PHE 22 HN PHE 22 11.473 -8.225 2.793 179 HA PHE 22 HA PHE 22 11.155 -11.050 2.059 180 1HB PHE 22 HB2 PHE 22 10.243 -11.584 4.183 181 2HB PHE 22 HB3 PHE 22 11.633 -10.589 4.551 182 HD1 PHE 22 HD1 PHE 22 11.198 -9.561 6.554 183 HD2 PHE 22 HD2 PHE 22 8.141 -9.604 3.618 184 HE1 PHE 22 HE1 PHE 22 9.794 -8.117 7.966 185 HE2 PHE 22 HE2 PHE 22 6.746 -8.142 4.983 186 HZ PHE 22 HZ PHE 22 7.568 -7.421 7.181 187 HA PRO 23 HA PRO 23 7.224 -9.846 0.478 188 1HB PRO 23 HB2 PRO 23 5.194 -11.000 1.834 189 2HB PRO 23 HB3 PRO 23 6.267 -11.914 0.775 190 1HG PRO 23 HG2 PRO 23 6.343 -11.634 3.757 191 2HG PRO 23 HG3 PRO 23 6.531 -13.094 2.765 192 1HD PRO 23 HD2 PRO 23 8.638 -11.763 3.804 193 2HD PRO 23 HD3 PRO 23 8.734 -12.609 2.247 194 H ILE 24 HN ILE 24 8.169 -7.791 1.855 195 HA ILE 24 HA ILE 24 7.111 -5.709 2.203 196 HB ILE 24 HB ILE 24 5.145 -7.246 3.875 197 1HG1 ILE 24 HG12 ILE 24 4.681 -7.590 1.560 198 2HG1 ILE 24 HG13 ILE 24 3.565 -6.338 2.096 199 1HG2 ILE 24 HG21 ILE 24 5.905 -4.506 3.992 200 2HG2 ILE 24 HG22 ILE 24 4.262 -4.616 3.364 201 3HG2 ILE 24 HG23 ILE 24 4.669 -5.350 4.913 202 1HD1 ILE 24 HD11 ILE 24 5.347 -4.703 1.246 203 2HD1 ILE 24 HD12 ILE 24 5.985 -6.097 0.375 204 3HD1 ILE 24 HD13 ILE 24 4.336 -5.550 0.076 205 H ASN 25 HN ASN 25 9.408 -6.074 3.201 206 HA ASN 25 HA ASN 25 9.693 -6.307 6.013 207 1HB ASN 25 HB2 ASN 25 11.377 -5.370 3.760 208 2HB ASN 25 HB3 ASN 25 11.810 -4.790 5.370 209 1HD2 ASN 25 HD21 ASN 25 13.131 -5.946 6.484 210 2HD2 ASN 25 HD22 ASN 25 13.439 -7.639 6.286 211 H SER 26 HN SER 26 7.654 -4.790 6.302 212 HA SER 26 HA SER 26 6.830 -2.818 7.093 213 1HB SER 26 HB2 SER 26 8.273 -1.430 8.419 214 2HB SER 26 HB3 SER 26 8.808 -3.090 8.656 215 HG SER 26 HG SER 26 9.987 -1.132 6.985 216 HA PRO 27 HA PRO 27 6.647 -0.087 3.720 217 1HB PRO 27 HB2 PRO 27 6.864 2.148 5.684 218 2HB PRO 27 HB3 PRO 27 5.690 1.911 4.382 219 1HG PRO 27 HG2 PRO 27 5.038 1.415 6.927 220 2HG PRO 27 HG3 PRO 27 4.434 0.396 5.607 221 1HD PRO 27 HD2 PRO 27 6.539 -0.178 7.625 222 2HD PRO 27 HD3 PRO 27 5.427 -1.287 6.795 223 H GLU 28 HN GLU 28 9.128 0.537 6.117 224 HA GLU 28 HA GLU 28 10.721 2.306 4.674 225 1HB GLU 28 HB2 GLU 28 11.705 0.053 6.443 226 2HB GLU 28 HB3 GLU 28 12.560 1.544 6.059 227 1HG GLU 28 HG2 GLU 28 10.008 1.332 7.646 228 2HG GLU 28 HG3 GLU 28 11.621 1.614 8.300 229 H GLU 29 HN GLU 29 11.035 -1.229 4.874 230 HA GLU 29 HA GLU 29 12.922 -1.393 2.751 231 1HB GLU 29 HB2 GLU 29 12.653 -2.978 4.666 232 2HB GLU 29 HB3 GLU 29 11.180 -3.537 3.852 233 1HG GLU 29 HG2 GLU 29 13.139 -4.967 3.390 234 2HG GLU 29 HG3 GLU 29 12.458 -4.239 1.936 235 H LEU 30 HN LEU 30 9.554 -2.600 3.019 236 HA LEU 30 HA LEU 30 9.296 -3.503 0.442 237 1HB LEU 30 HB2 LEU 30 6.947 -3.411 0.718 238 2HB LEU 30 HB3 LEU 30 7.614 -3.732 2.307 239 HG LEU 30 HG LEU 30 7.438 -1.114 2.538 240 1HD1 LEU 30 HD11 LEU 30 4.967 -1.410 0.967 241 2HD1 LEU 30 HD12 LEU 30 6.017 -0.008 1.188 242 3HD1 LEU 30 HD13 LEU 30 6.464 -1.272 0.043 243 1HD2 LEU 30 HD21 LEU 30 6.321 -2.664 4.005 244 2HD2 LEU 30 HD22 LEU 30 5.177 -1.421 3.502 245 3HD2 LEU 30 HD23 LEU 30 5.120 -3.019 2.764 246 H MET 31 HN MET 31 9.077 -0.181 1.646 247 HA MET 31 HA MET 31 8.226 0.960 -0.814 248 1HB MET 31 HB2 MET 31 9.620 2.103 1.594 249 2HB MET 31 HB3 MET 31 9.483 3.051 0.125 250 1HG MET 31 HG2 MET 31 7.044 2.816 0.211 251 2HG MET 31 HG3 MET 31 7.195 1.925 1.724 252 1HE MET 31 HE1 MET 31 7.873 3.205 4.129 253 2HE MET 31 HE2 MET 31 9.393 3.250 3.234 254 3HE MET 31 HE3 MET 31 8.793 4.707 4.026 255 H ALA 32 HN ALA 32 11.341 0.065 0.600 256 HA ALA 32 HA ALA 32 12.930 1.223 -1.488 257 1HB ALA 32 HB1 ALA 32 14.451 -0.832 -0.530 258 2HB ALA 32 HB2 ALA 32 14.367 0.780 0.181 259 3HB ALA 32 HB3 ALA 32 13.367 -0.521 0.826 260 H ALA 33 HN ALA 33 11.069 -1.623 -1.136 261 HA ALA 33 HA ALA 33 12.241 -3.357 -2.988 262 1HB ALA 33 HB1 ALA 33 10.400 -3.696 -1.192 263 2HB ALA 33 HB2 ALA 33 9.298 -3.279 -2.506 264 3HB ALA 33 HB3 ALA 33 10.371 -4.665 -2.662 265 H LEU 34 HN LEU 34 9.485 -1.145 -3.358 266 HA LEU 34 HA LEU 34 8.676 -1.698 -5.866 267 1HB LEU 34 HB2 LEU 34 8.932 1.020 -4.609 268 2HB LEU 34 HB3 LEU 34 8.079 0.729 -6.113 269 HG LEU 34 HG LEU 34 6.754 -1.026 -4.685 270 1HD1 LEU 34 HD11 LEU 34 7.294 -1.114 -2.547 271 2HD1 LEU 34 HD12 LEU 34 8.359 0.285 -2.691 272 3HD1 LEU 34 HD13 LEU 34 6.639 0.513 -2.372 273 1HD2 LEU 34 HD21 LEU 34 5.131 0.744 -4.075 274 2HD2 LEU 34 HD22 LEU 34 6.337 1.950 -4.516 275 3HD2 LEU 34 HD23 LEU 34 5.703 0.851 -5.739 276 HA PRO 35 HA PRO 35 11.818 -1.278 -8.897 277 1HB PRO 35 HB2 PRO 35 10.178 0.015 -10.800 278 2HB PRO 35 HB3 PRO 35 10.459 -1.721 -10.650 279 1HG PRO 35 HG2 PRO 35 8.193 -0.073 -9.622 280 2HG PRO 35 HG3 PRO 35 8.188 -1.736 -10.238 281 1HD PRO 35 HD2 PRO 35 8.004 -1.249 -7.633 282 2HD PRO 35 HD3 PRO 35 8.983 -2.607 -8.232 283 H ASN 36 HN ASN 36 9.811 1.503 -8.116 284 HA ASN 36 HA ASN 36 11.483 3.441 -9.357 285 1HB ASN 36 HB2 ASN 36 9.257 4.085 -9.093 286 2HB ASN 36 HB3 ASN 36 9.188 3.518 -7.430 287 1HD2 ASN 36 HD21 ASN 36 9.033 5.060 -6.030 288 2HD2 ASN 36 HD22 ASN 36 9.711 6.639 -6.148 289 H GLY 37 HN GLY 37 11.514 1.883 -6.253 290 1HA GLY 37 HA1 GLY 37 13.565 1.886 -4.976 291 2HA GLY 37 HA2 GLY 37 13.845 3.535 -5.518 292 HA PRO 38 HA PRO 38 11.813 4.879 -1.822 293 1HB PRO 38 HB2 PRO 38 10.953 7.331 -2.468 294 2HB PRO 38 HB3 PRO 38 12.677 6.949 -2.392 295 1HG PRO 38 HG2 PRO 38 10.902 7.247 -4.767 296 2HG PRO 38 HG3 PRO 38 12.593 7.730 -4.562 297 1HD PRO 38 HD2 PRO 38 11.717 5.413 -5.844 298 2HD PRO 38 HD3 PRO 38 13.359 5.690 -5.236 299 H ASP 39 HN ASP 39 10.153 3.223 -3.586 300 HA ASP 39 HA ASP 39 8.039 2.503 -3.745 301 1HB ASP 39 HB2 ASP 39 7.822 2.705 -1.408 302 2HB ASP 39 HB3 ASP 39 7.691 4.449 -1.470 303 H THR 40 HN THR 40 7.469 2.964 -5.724 304 HA THR 40 HA THR 40 6.928 5.519 -6.782 305 HB THR 40 HB THR 40 7.495 3.782 -8.311 306 HG1 THR 40 HG1 THR 40 5.828 5.327 -8.969 307 1HG2 THR 40 HG21 THR 40 6.846 1.798 -7.205 308 2HG2 THR 40 HG22 THR 40 5.869 1.860 -8.674 309 3HG2 THR 40 HG23 THR 40 5.159 2.308 -7.123 310 H THR 41 HN THR 41 5.057 6.627 -7.139 311 HA THR 41 HA THR 41 2.810 5.965 -5.442 312 HB THR 41 HB THR 41 2.949 8.247 -7.414 313 HG1 THR 41 HG1 THR 41 4.796 8.300 -6.024 314 1HG2 THR 41 HG21 THR 41 1.371 7.662 -4.922 315 2HG2 THR 41 HG22 THR 41 0.776 8.055 -6.536 316 3HG2 THR 41 HG23 THR 41 1.544 9.300 -5.551 317 H CYS 42 HN CYS 42 1.270 4.589 -6.131 318 HA CYS 42 HA CYS 42 0.858 4.211 -8.989 319 1HB CYS 42 HB2 CYS 42 -0.541 2.780 -6.721 320 2HB CYS 42 HB3 CYS 42 -0.475 2.296 -8.403 321 HG CYS 42 HG CYS 42 2.606 2.522 -7.529 322 H LYS 43 HN LYS 43 0.155 6.700 -8.431 323 HA LYS 43 HA LYS 43 -2.587 7.001 -7.675 324 1HB LYS 43 HB2 LYS 43 -2.280 9.344 -8.363 325 2HB LYS 43 HB3 LYS 43 -0.989 8.802 -7.296 326 1HG LYS 43 HG2 LYS 43 0.476 8.493 -9.229 327 2HG LYS 43 HG3 LYS 43 -0.819 9.039 -10.296 328 1HD LYS 43 HD2 LYS 43 -0.830 11.212 -9.165 329 2HD LYS 43 HD3 LYS 43 0.465 10.663 -8.099 330 1HE LYS 43 HE2 LYS 43 0.633 10.930 -11.099 331 2HE LYS 43 HE3 LYS 43 1.330 12.044 -9.924 332 1HZ LYS 43 HZ1 LYS 43 3.137 10.768 -10.244 333 2HZ LYS 43 HZ2 LYS 43 2.255 9.425 -10.770 334 3HZ LYS 43 HZ3 LYS 43 2.395 9.748 -9.116 335 H SER 44 HN SER 44 -4.349 7.525 -8.982 336 HA SER 44 HA SER 44 -4.000 7.212 -11.879 337 1HB SER 44 HB2 SER 44 -6.060 5.743 -10.215 338 2HB SER 44 HB3 SER 44 -5.967 5.724 -11.977 339 HG SER 44 HG SER 44 -3.908 4.844 -10.233 340 H GLY 45 HN GLY 45 -5.047 8.721 -12.997 341 1HA GLY 45 HA1 GLY 45 -6.555 10.358 -13.566 342 2HA GLY 45 HA2 GLY 45 -7.622 9.711 -12.333 343 H ASP 46 HN ASP 46 -6.563 10.179 -9.998 344 HA ASP 46 HA ASP 46 -5.317 12.761 -9.781 345 1HB ASP 46 HB2 ASP 46 -8.190 12.415 -8.893 346 2HB ASP 46 HB3 ASP 46 -7.175 13.802 -8.511 347 H VAL 47 HN VAL 47 -7.112 10.177 -8.162 348 HA VAL 47 HA VAL 47 -6.134 10.679 -5.557 349 HB VAL 47 HB VAL 47 -7.083 8.046 -6.702 350 1HG1 VAL 47 HG11 VAL 47 -7.684 8.573 -3.917 351 2HG1 VAL 47 HG12 VAL 47 -6.903 7.177 -4.659 352 3HG1 VAL 47 HG13 VAL 47 -5.949 8.596 -4.229 353 1HG2 VAL 47 HG21 VAL 47 -8.750 9.765 -7.075 354 2HG2 VAL 47 HG22 VAL 47 -9.287 8.676 -5.795 355 3HG2 VAL 47 HG23 VAL 47 -8.646 10.267 -5.388 356 H GLU 48 HN GLU 48 -4.307 10.047 -4.534 357 HA GLU 48 HA GLU 48 -2.431 8.355 -6.052 358 1HB GLU 48 HB2 GLU 48 -1.622 10.461 -4.052 359 2HB GLU 48 HB3 GLU 48 -0.598 9.612 -5.201 360 1HG GLU 48 HG2 GLU 48 -1.707 10.755 -7.047 361 2HG GLU 48 HG3 GLU 48 -2.748 11.599 -5.904 362 H LEU 49 HN LEU 49 -1.586 6.620 -5.058 363 HA LEU 49 HA LEU 49 -1.893 6.365 -2.150 364 1HB LEU 49 HB2 LEU 49 -2.676 4.291 -4.197 365 2HB LEU 49 HB3 LEU 49 -2.520 3.967 -2.482 366 HG LEU 49 HG LEU 49 -4.837 4.245 -3.000 367 1HD1 LEU 49 HD11 LEU 49 -4.077 5.152 -0.864 368 2HD1 LEU 49 HD12 LEU 49 -3.795 6.717 -1.625 369 3HD1 LEU 49 HD13 LEU 49 -5.434 6.077 -1.507 370 1HD2 LEU 49 HD21 LEU 49 -3.977 6.013 -4.937 371 2HD2 LEU 49 HD22 LEU 49 -5.651 5.675 -4.500 372 3HD2 LEU 49 HD23 LEU 49 -4.808 7.043 -3.772 373 H LYS 50 HN LYS 50 -0.215 5.416 -1.125 374 HA LYS 50 HA LYS 50 1.615 3.629 -2.277 375 1HB LYS 50 HB2 LYS 50 3.566 5.027 -2.579 376 2HB LYS 50 HB3 LYS 50 2.259 5.624 -3.587 377 1HG LYS 50 HG2 LYS 50 1.783 7.344 -1.865 378 2HG LYS 50 HG3 LYS 50 3.208 6.788 -0.985 379 1HD LYS 50 HD2 LYS 50 4.621 7.331 -2.891 380 2HD LYS 50 HD3 LYS 50 3.202 7.839 -3.806 381 1HE LYS 50 HE2 LYS 50 2.787 9.625 -2.208 382 2HE LYS 50 HE3 LYS 50 4.168 9.102 -1.244 383 1HZ LYS 50 HZ1 LYS 50 5.625 10.026 -2.671 384 2HZ LYS 50 HZ2 LYS 50 4.311 11.011 -3.076 385 3HZ LYS 50 HZ3 LYS 50 4.700 9.680 -4.044 386 H ALA 51 HN ALA 51 3.334 3.049 -0.828 387 HA ALA 51 HA ALA 51 2.628 2.805 1.798 388 1HB ALA 51 HB1 ALA 51 4.333 1.399 1.432 389 2HB ALA 51 HB2 ALA 51 5.114 2.483 0.281 390 3HB ALA 51 HB3 ALA 51 5.332 2.731 2.014 391 H SER 52 HN SER 52 4.534 5.431 0.374 392 HA SER 52 HA SER 52 5.286 6.639 2.801 393 1HB SER 52 HB2 SER 52 6.398 7.210 0.721 394 2HB SER 52 HB3 SER 52 4.901 7.866 0.065 395 HG SER 52 HG SER 52 4.988 9.516 1.562 396 H ASP 53 HN ASP 53 2.549 7.363 0.624 397 HA ASP 53 HA ASP 53 1.483 9.389 2.313 398 1HB ASP 53 HB2 ASP 53 0.262 7.847 0.021 399 2HB ASP 53 HB3 ASP 53 -0.523 9.205 0.823 400 H ALA 54 HN ALA 54 0.354 6.077 1.602 401 HA ALA 54 HA ALA 54 -1.515 6.236 3.826 402 1HB ALA 54 HB1 ALA 54 -2.372 4.106 2.988 403 2HB ALA 54 HB2 ALA 54 -2.315 5.333 1.723 404 3HB ALA 54 HB3 ALA 54 -1.088 4.068 1.782 405 H GLY 55 HN GLY 55 1.224 4.177 2.826 406 1HA GLY 55 HA1 GLY 55 1.259 2.294 4.797 407 2HA GLY 55 HA2 GLY 55 2.726 2.993 4.133 408 H GLN 56 HN GLN 56 2.042 5.674 5.182 409 HA GLN 56 HA GLN 56 3.520 5.781 7.468 410 1HB GLN 56 HB2 GLN 56 2.316 7.896 7.992 411 2HB GLN 56 HB3 GLN 56 2.870 7.791 6.321 412 1HG GLN 56 HG2 GLN 56 0.610 7.145 5.632 413 2HG GLN 56 HG3 GLN 56 0.069 7.278 7.300 414 1HE2 GLN 56 HE21 GLN 56 2.265 9.730 6.902 415 2HE2 GLN 56 HE22 GLN 56 1.186 10.989 6.442 416 H VAL 57 HN VAL 57 0.174 4.861 7.172 417 HA VAL 57 HA VAL 57 -0.422 5.028 9.964 418 HB VAL 57 HB VAL 57 -2.528 3.930 9.389 419 1HG1 VAL 57 HG11 VAL 57 -2.895 5.652 7.284 420 2HG1 VAL 57 HG12 VAL 57 -2.996 6.084 8.991 421 3HG1 VAL 57 HG13 VAL 57 -1.493 6.342 8.104 422 1HG2 VAL 57 HG21 VAL 57 -1.009 3.156 7.015 423 2HG2 VAL 57 HG22 VAL 57 -2.436 2.416 7.738 424 3HG2 VAL 57 HG23 VAL 57 -2.613 3.791 6.649 425 H LEU 58 HN LEU 58 1.895 3.297 9.222 426 HA LEU 58 HA LEU 58 0.966 0.883 10.611 427 1HB LEU 58 HB2 LEU 58 2.980 0.849 8.362 428 2HB LEU 58 HB3 LEU 58 2.313 -0.537 9.207 429 HG LEU 58 HG LEU 58 0.749 1.324 7.409 430 1HD1 LEU 58 HD11 LEU 58 0.937 -1.428 6.563 431 2HD1 LEU 58 HD12 LEU 58 1.296 0.052 5.677 432 3HD1 LEU 58 HD13 LEU 58 2.532 -0.686 6.694 433 1HD2 LEU 58 HD21 LEU 58 -0.035 -0.762 9.302 434 2HD2 LEU 58 HD22 LEU 58 -0.995 0.516 8.558 435 3HD2 LEU 58 HD23 LEU 58 -0.696 -0.984 7.682 436 H THR 59 HN THR 59 2.009 0.750 12.478 437 HA THR 59 HA THR 59 4.359 2.272 13.035 438 HB THR 59 HB THR 59 4.275 1.227 15.267 439 HG1 THR 59 HG1 THR 59 3.372 -0.682 15.353 440 1HG2 THR 59 HG21 THR 59 1.429 1.849 14.808 441 2HG2 THR 59 HG22 THR 59 2.575 3.067 14.250 442 3HG2 THR 59 HG23 THR 59 2.578 2.563 15.940 443 H ALA 60 HN ALA 60 6.344 1.402 13.934 444 HA ALA 60 HA ALA 60 7.711 -0.309 12.267 445 1HB ALA 60 HB1 ALA 60 8.571 -0.338 15.093 446 2HB ALA 60 HB2 ALA 60 9.486 0.021 13.629 447 3HB ALA 60 HB3 ALA 60 8.431 1.246 14.332 448 H ASP 61 HN ASP 61 5.869 -1.097 15.176 449 HA ASP 61 HA ASP 61 6.645 -3.713 15.608 450 1HB ASP 61 HB2 ASP 61 5.087 -2.516 17.082 451 2HB ASP 61 HB3 ASP 61 3.851 -2.565 15.830 452 H ASP 62 HN ASP 62 4.678 -2.363 13.094 453 HA ASP 62 HA ASP 62 3.575 -4.802 12.115 454 1HB ASP 62 HB2 ASP 62 3.959 -2.154 10.705 455 2HB ASP 62 HB3 ASP 62 2.909 -3.462 10.176 456 H PHE 63 HN PHE 63 6.716 -3.951 12.235 457 HA PHE 63 HA PHE 63 7.915 -4.014 9.846 458 1HB PHE 63 HB2 PHE 63 8.848 -4.303 12.330 459 2HB PHE 63 HB3 PHE 63 9.019 -5.970 11.792 460 HD1 PHE 63 HD1 PHE 63 9.786 -2.511 10.631 461 HD2 PHE 63 HD2 PHE 63 10.969 -6.596 10.783 462 HE1 PHE 63 HE1 PHE 63 11.887 -1.939 9.490 463 HE2 PHE 63 HE2 PHE 63 13.078 -6.030 9.648 464 HZ PHE 63 HZ PHE 63 13.555 -3.679 9.038 465 HA PRO 64 HA PRO 64 7.376 -8.684 9.167 466 1HB PRO 64 HB2 PRO 64 6.248 -10.255 10.995 467 2HB PRO 64 HB3 PRO 64 7.904 -9.670 11.204 468 1HG PRO 64 HG2 PRO 64 5.385 -8.741 12.506 469 2HG PRO 64 HG3 PRO 64 7.015 -8.885 13.187 470 1HD PRO 64 HD2 PRO 64 5.829 -6.535 12.221 471 2HD PRO 64 HD3 PRO 64 7.552 -6.773 12.559 472 H PHE 65 HN PHE 65 5.767 -7.439 7.809 473 HA PHE 65 HA PHE 65 2.988 -7.692 8.444 474 1HB PHE 65 HB2 PHE 65 4.578 -6.310 6.493 475 2HB PHE 65 HB3 PHE 65 3.265 -7.168 5.693 476 HD1 PHE 65 HD1 PHE 65 4.160 -4.300 7.663 477 HD2 PHE 65 HD2 PHE 65 0.922 -6.787 6.477 478 HE1 PHE 65 HE1 PHE 65 2.569 -2.540 8.317 479 HE2 PHE 65 HE2 PHE 65 -0.676 -5.036 7.121 480 HZ PHE 65 HZ PHE 65 0.148 -2.904 8.045 481 H LYS 66 HN LYS 66 1.470 -9.015 7.579 482 HA LYS 66 HA LYS 66 2.265 -11.627 6.828 483 1HB LYS 66 HB2 LYS 66 0.097 -10.790 8.017 484 2HB LYS 66 HB3 LYS 66 -0.506 -10.586 6.380 485 1HG LYS 66 HG2 LYS 66 0.466 -13.145 7.622 486 2HG LYS 66 HG3 LYS 66 -1.204 -12.713 7.261 487 1HD LYS 66 HD2 LYS 66 -0.634 -12.617 4.864 488 2HD LYS 66 HD3 LYS 66 1.014 -13.112 5.254 489 1HE LYS 66 HE2 LYS 66 0.140 -15.197 6.220 490 2HE LYS 66 HE3 LYS 66 -1.492 -14.704 5.776 491 1HZ LYS 66 HZ1 LYS 66 -1.008 -14.908 3.511 492 2HZ LYS 66 HZ2 LYS 66 -0.301 -16.274 4.213 493 3HZ LYS 66 HZ3 LYS 66 0.664 -14.959 3.767 494 H SER 67 HN SER 67 3.622 -10.830 5.011 495 HA SER 67 HA SER 67 4.081 -10.671 2.812 496 1HB SER 67 HB2 SER 67 1.412 -12.036 2.469 497 2HB SER 67 HB3 SER 67 2.717 -11.980 1.285 498 HG SER 67 HG SER 67 2.404 -13.605 3.447 499 H ALA 68 HN ALA 68 3.453 -9.765 0.711 500 HA ALA 68 HA ALA 68 2.618 -7.150 0.879 501 1HB ALA 68 HB1 ALA 68 3.034 -9.069 -1.324 502 2HB ALA 68 HB2 ALA 68 2.120 -7.609 -1.697 503 3HB ALA 68 HB3 ALA 68 3.753 -7.483 -1.046 504 H GLU 69 HN GLU 69 0.661 -10.006 0.373 505 HA GLU 69 HA GLU 69 -1.635 -8.808 -0.629 506 1HB GLU 69 HB2 GLU 69 -2.848 -10.753 0.331 507 2HB GLU 69 HB3 GLU 69 -1.435 -11.197 -0.616 508 1HG GLU 69 HG2 GLU 69 -0.174 -11.427 1.491 509 2HG GLU 69 HG3 GLU 69 -1.668 -11.102 2.367 510 H GLU 70 HN GLU 70 -0.789 -9.382 2.840 511 HA GLU 70 HA GLU 70 -3.184 -8.096 3.677 512 1HB GLU 70 HB2 GLU 70 -2.694 -8.739 5.775 513 2HB GLU 70 HB3 GLU 70 -1.549 -9.783 4.951 514 1HG GLU 70 HG2 GLU 70 0.267 -8.521 5.585 515 2HG GLU 70 HG3 GLU 70 -0.700 -7.062 5.807 516 H VAL 71 HN VAL 71 0.072 -7.029 3.128 517 HA VAL 71 HA VAL 71 -0.155 -4.510 4.392 518 HB VAL 71 HB VAL 71 1.600 -5.308 2.082 519 1HG1 VAL 71 HG11 VAL 71 1.187 -2.786 3.312 520 2HG1 VAL 71 HG12 VAL 71 2.771 -3.373 3.815 521 3HG1 VAL 71 HG13 VAL 71 2.390 -3.227 2.100 522 1HG2 VAL 71 HG21 VAL 71 2.733 -5.137 4.761 523 2HG2 VAL 71 HG22 VAL 71 1.509 -6.391 4.590 524 3HG2 VAL 71 HG23 VAL 71 2.916 -6.387 3.540 525 H ALA 72 HN ALA 72 -0.936 -5.635 1.149 526 HA ALA 72 HA ALA 72 -1.389 -3.095 0.013 527 1HB ALA 72 HB1 ALA 72 -1.939 -5.889 -0.719 528 2HB ALA 72 HB2 ALA 72 -3.021 -4.695 -1.435 529 3HB ALA 72 HB3 ALA 72 -1.279 -4.568 -1.684 530 H ASP 73 HN ASP 73 -3.702 -5.523 1.248 531 HA ASP 73 HA ASP 73 -5.975 -3.856 1.014 532 1HB ASP 73 HB2 ASP 73 -5.530 -6.278 2.769 533 2HB ASP 73 HB3 ASP 73 -7.094 -5.544 2.431 534 H THR 74 HN THR 74 -3.889 -4.635 3.763 535 HA THR 74 HA THR 74 -5.261 -3.364 5.796 536 HB THR 74 HB THR 74 -2.283 -3.690 5.407 537 HG1 THR 74 HG1 THR 74 -3.496 -5.627 5.616 538 1HG2 THR 74 HG21 THR 74 -2.680 -1.881 6.998 539 2HG2 THR 74 HG22 THR 74 -2.068 -3.315 7.823 540 3HG2 THR 74 HG23 THR 74 -3.783 -2.911 7.911 541 H ILE 75 HN ILE 75 -2.798 -1.968 3.634 542 HA ILE 75 HA ILE 75 -2.797 0.590 4.799 543 HB ILE 75 HB ILE 75 -2.061 -0.289 2.008 544 1HG1 ILE 75 HG12 ILE 75 -0.378 0.428 4.418 545 2HG1 ILE 75 HG13 ILE 75 -0.706 -1.207 3.864 546 1HG2 ILE 75 HG21 ILE 75 -2.633 2.072 1.956 547 2HG2 ILE 75 HG22 ILE 75 -1.581 2.372 3.340 548 3HG2 ILE 75 HG23 ILE 75 -0.889 1.860 1.801 549 1HD1 ILE 75 HD11 ILE 75 1.517 0.043 3.244 550 2HD1 ILE 75 HD12 ILE 75 0.724 -1.040 2.100 551 3HD1 ILE 75 HD13 ILE 75 0.515 0.704 1.952 552 H VAL 76 HN VAL 76 -4.497 -0.551 1.855 553 HA VAL 76 HA VAL 76 -5.806 1.822 1.257 554 HB VAL 76 HB VAL 76 -7.662 0.288 0.308 555 1HG1 VAL 76 HG11 VAL 76 -6.268 1.199 -1.274 556 2HG1 VAL 76 HG12 VAL 76 -4.824 0.475 -0.570 557 3HG1 VAL 76 HG13 VAL 76 -5.949 -0.524 -1.488 558 1HG2 VAL 76 HG21 VAL 76 -5.691 -1.703 1.336 559 2HG2 VAL 76 HG22 VAL 76 -7.451 -1.755 1.354 560 3HG2 VAL 76 HG23 VAL 76 -6.573 -2.036 -0.151 561 H ASN 77 HN ASN 77 -6.753 -0.701 3.547 562 HA ASN 77 HA ASN 77 -9.333 0.223 4.110 563 1HB ASN 77 HB2 ASN 77 -7.355 -1.265 5.844 564 2HB ASN 77 HB3 ASN 77 -9.027 -0.963 6.314 565 1HD2 ASN 77 HD21 ASN 77 -7.168 -3.314 5.311 566 2HD2 ASN 77 HD22 ASN 77 -8.248 -4.207 4.301 567 H LYS 78 HN LYS 78 -6.295 0.900 5.833 568 HA LYS 78 HA LYS 78 -7.511 2.758 7.623 569 1HB LYS 78 HB2 LYS 78 -4.594 2.338 6.990 570 2HB LYS 78 HB3 LYS 78 -5.238 3.192 8.387 571 1HG LYS 78 HG2 LYS 78 -6.350 1.058 9.073 572 2HG LYS 78 HG3 LYS 78 -5.469 0.256 7.772 573 1HD LYS 78 HD2 LYS 78 -4.280 -0.043 9.852 574 2HD LYS 78 HD3 LYS 78 -3.348 1.016 8.792 575 1HE LYS 78 HE2 LYS 78 -4.164 2.967 9.999 576 2HE LYS 78 HE3 LYS 78 -5.151 1.933 11.030 577 1HZ LYS 78 HZ1 LYS 78 -3.291 2.277 12.311 578 2HZ LYS 78 HZ2 LYS 78 -2.229 2.271 10.995 579 3HZ LYS 78 HZ3 LYS 78 -2.892 0.818 11.553 580 H ALA 79 HN ALA 79 -5.570 3.089 4.686 581 HA ALA 79 HA ALA 79 -5.210 5.879 4.867 582 1HB ALA 79 HB1 ALA 79 -3.959 5.615 3.047 583 2HB ALA 79 HB2 ALA 79 -4.282 3.891 3.221 584 3HB ALA 79 HB3 ALA 79 -5.276 4.868 2.141 585 H GLY 80 HN GLY 80 -7.875 3.968 3.582 586 1HA GLY 80 HA1 GLY 80 -9.825 5.828 3.745 587 2HA GLY 80 HA2 GLY 80 -9.021 6.270 2.245 588 H LEU 81 HN LEU 81 -8.520 4.056 0.967 589 HA LEU 81 HA LEU 81 -11.034 3.274 -0.032 590 1HB LEU 81 HB2 LEU 81 -8.456 1.800 -0.496 591 2HB LEU 81 HB3 LEU 81 -9.835 1.941 -1.571 592 HG LEU 81 HG LEU 81 -8.219 4.361 -0.804 593 1HD1 LEU 81 HD11 LEU 81 -7.189 3.884 -3.164 594 2HD1 LEU 81 HD12 LEU 81 -6.502 3.133 -1.723 595 3HD1 LEU 81 HD13 LEU 81 -7.575 2.208 -2.774 596 1HD2 LEU 81 HD21 LEU 81 -10.280 3.654 -2.827 597 2HD2 LEU 81 HD22 LEU 81 -10.075 5.132 -1.887 598 3HD2 LEU 81 HD23 LEU 81 -9.035 4.818 -3.278 Start of MODEL 21 1 1H GLY -3 HT1 GLY -3 -25.614 -3.838 3.253 2 2H GLY -3 HT2 GLY -3 -26.619 -4.172 4.572 3 3H GLY -3 HT3 GLY -3 -26.072 -5.433 3.585 4 1HA GLY -3 HA2 GLY -3 -24.166 -3.713 5.041 5 2HA GLY -3 HA1 GLY -3 -24.930 -5.080 5.837 6 H SER -2 HN SER -2 -23.773 -4.719 2.500 7 HA SER -2 HA SER -2 -21.439 -6.300 2.894 8 1HB SER -2 HB2 SER -2 -23.793 -7.631 1.529 9 2HB SER -2 HB3 SER -2 -22.147 -8.264 1.559 10 HG SER -2 HG SER -2 -22.309 -8.503 3.779 11 H HIS -1 HN HIS -1 -20.042 -6.042 1.227 12 HA HIS -1 HA HIS -1 -19.157 -5.256 -0.706 13 1HB HIS -1 HB2 HIS -1 -20.767 -6.921 -1.672 14 2HB HIS -1 HB3 HIS -1 -21.929 -5.615 -1.867 15 HD1 HIS -1 HD1 HIS -1 -21.454 -6.739 -4.434 16 HD2 HIS -1 HD2 HIS -1 -18.683 -4.095 -2.827 17 HE1 HIS -1 HE1 HIS -1 -20.135 -5.878 -6.393 18 HE2 HIS -1 HE2 HIS -1 -18.526 -4.209 -5.406 19 H MET 1 HN MET 1 -21.622 -3.776 -2.390 20 HA MET 1 HA MET 1 -22.196 -1.612 -2.747 21 1HB MET 1 HB2 MET 1 -21.759 -1.389 0.236 22 2HB MET 1 HB3 MET 1 -22.574 -0.192 -0.761 23 1HG MET 1 HG2 MET 1 -24.304 -1.818 -1.313 24 2HG MET 1 HG3 MET 1 -23.486 -3.026 -0.322 25 1HE MET 1 HE1 MET 1 -26.787 -1.963 0.328 26 2HE MET 1 HE2 MET 1 -25.774 -3.392 0.543 27 3HE MET 1 HE3 MET 1 -26.430 -2.555 1.951 28 H LYS 2 HN LYS 2 -19.585 -2.236 -3.337 29 HA LYS 2 HA LYS 2 -18.377 0.277 -3.531 30 1HB LYS 2 HB2 LYS 2 -17.953 0.040 -1.132 31 2HB LYS 2 HB3 LYS 2 -17.163 -1.506 -1.409 32 1HG LYS 2 HG2 LYS 2 -15.416 -0.382 -2.696 33 2HG LYS 2 HG3 LYS 2 -16.210 1.168 -2.414 34 1HD LYS 2 HD2 LYS 2 -15.893 0.889 -0.003 35 2HD LYS 2 HD3 LYS 2 -15.106 -0.665 -0.284 36 1HE LYS 2 HE2 LYS 2 -13.462 1.097 0.089 37 2HE LYS 2 HE3 LYS 2 -13.340 0.451 -1.547 38 1HZ LYS 2 HZ1 LYS 2 -15.131 2.645 -1.481 39 2HZ LYS 2 HZ2 LYS 2 -13.707 2.458 -2.375 40 3HZ LYS 2 HZ3 LYS 2 -13.643 3.096 -0.810 41 H MET 3 HN MET 3 -16.896 0.231 -5.132 42 HA MET 3 HA MET 3 -15.098 -1.849 -5.659 43 1HB MET 3 HB2 MET 3 -17.087 -3.141 -6.253 44 2HB MET 3 HB3 MET 3 -17.579 -1.891 -7.387 45 1HG MET 3 HG2 MET 3 -15.585 -2.320 -8.727 46 2HG MET 3 HG3 MET 3 -15.091 -3.572 -7.590 47 1HE MET 3 HE1 MET 3 -16.210 -5.416 -10.914 48 2HE MET 3 HE2 MET 3 -15.178 -4.032 -10.552 49 3HE MET 3 HE3 MET 3 -15.006 -5.526 -9.630 50 H GLY 4 HN GLY 4 -13.551 -1.143 -6.994 51 1HA GLY 4 HA1 GLY 4 -13.871 0.448 -9.261 52 2HA GLY 4 HA2 GLY 4 -13.578 1.531 -7.908 53 H VAL 5 HN VAL 5 -11.556 2.236 -8.305 54 HA VAL 5 HA VAL 5 -9.493 0.497 -9.249 55 HB VAL 5 HB VAL 5 -9.667 3.050 -9.580 56 1HG1 VAL 5 HG11 VAL 5 -9.672 3.452 -7.074 57 2HG1 VAL 5 HG12 VAL 5 -7.948 3.049 -7.116 58 3HG1 VAL 5 HG13 VAL 5 -8.559 4.445 -8.015 59 1HG2 VAL 5 HG21 VAL 5 -7.204 3.263 -9.780 60 2HG2 VAL 5 HG22 VAL 5 -7.066 1.681 -9.020 61 3HG2 VAL 5 HG23 VAL 5 -7.887 1.847 -10.574 62 H LYS 6 HN LYS 6 -10.852 0.824 -6.209 63 HA LYS 6 HA LYS 6 -8.795 1.023 -4.425 64 1HB LYS 6 HB2 LYS 6 -11.078 0.685 -3.678 65 2HB LYS 6 HB3 LYS 6 -11.112 -0.925 -4.380 66 1HG LYS 6 HG2 LYS 6 -9.157 -0.234 -2.222 67 2HG LYS 6 HG3 LYS 6 -10.820 -0.676 -1.838 68 1HD LYS 6 HD2 LYS 6 -10.462 -2.778 -3.170 69 2HD LYS 6 HD3 LYS 6 -8.756 -2.345 -3.269 70 1HE LYS 6 HE2 LYS 6 -8.621 -2.338 -0.823 71 2HE LYS 6 HE3 LYS 6 -10.321 -2.796 -0.734 72 1HZ LYS 6 HZ1 LYS 6 -9.640 -4.794 -2.115 73 2HZ LYS 6 HZ2 LYS 6 -9.139 -4.780 -0.500 74 3HZ LYS 6 HZ3 LYS 6 -8.042 -4.396 -1.728 75 H GLU 7 HN GLU 7 -9.816 -1.915 -6.125 76 HA GLU 7 HA GLU 7 -7.494 -3.377 -5.248 77 1HB GLU 7 HB2 GLU 7 -9.574 -4.059 -7.345 78 2HB GLU 7 HB3 GLU 7 -8.340 -5.159 -6.744 79 1HG GLU 7 HG2 GLU 7 -9.307 -5.028 -4.508 80 2HG GLU 7 HG3 GLU 7 -10.541 -3.919 -5.106 81 H ASP 8 HN ASP 8 -8.378 -1.423 -8.018 82 HA ASP 8 HA ASP 8 -6.471 -2.389 -9.836 83 1HB ASP 8 HB2 ASP 8 -7.954 0.162 -9.642 84 2HB ASP 8 HB3 ASP 8 -6.783 -0.102 -10.921 85 H ILE 9 HN ILE 9 -6.333 0.466 -7.741 86 HA ILE 9 HA ILE 9 -3.659 1.158 -8.353 87 HB ILE 9 HB ILE 9 -5.578 1.898 -6.157 88 1HG1 ILE 9 HG12 ILE 9 -4.097 3.517 -8.237 89 2HG1 ILE 9 HG13 ILE 9 -5.771 2.988 -8.344 90 1HG2 ILE 9 HG21 ILE 9 -3.833 2.113 -4.751 91 2HG2 ILE 9 HG22 ILE 9 -2.643 2.145 -6.053 92 3HG2 ILE 9 HG23 ILE 9 -3.553 3.602 -5.650 93 1HD1 ILE 9 HD11 ILE 9 -4.750 5.353 -7.206 94 2HD1 ILE 9 HD12 ILE 9 -6.426 4.810 -7.285 95 3HD1 ILE 9 HD13 ILE 9 -5.427 4.385 -5.896 96 H ARG 10 HN ARG 10 -5.222 -0.735 -5.815 97 HA ARG 10 HA ARG 10 -2.909 -1.363 -4.325 98 1HB ARG 10 HB2 ARG 10 -5.550 -1.870 -3.990 99 2HB ARG 10 HB3 ARG 10 -5.030 -3.437 -4.593 100 1HG ARG 10 HG2 ARG 10 -4.994 -3.447 -2.201 101 2HG ARG 10 HG3 ARG 10 -3.330 -3.502 -2.799 102 1HD ARG 10 HD2 ARG 10 -4.083 -0.787 -2.552 103 2HD ARG 10 HD3 ARG 10 -4.551 -1.610 -1.068 104 HE ARG 10 HE ARG 10 -1.968 -2.418 -1.640 105 1HH1 ARG 10 HH12 ARG 10 -3.556 0.620 -1.017 106 2HH1 ARG 10 HH11 ARG 10 -2.218 1.290 -0.151 107 1HH2 ARG 10 HH22 ARG 10 -0.203 -1.537 -0.483 108 2HH2 ARG 10 HH21 ARG 10 -0.314 0.076 0.132 109 H GLY 11 HN GLY 11 -4.166 -2.456 -7.357 110 1HA GLY 11 HA1 GLY 11 -2.747 -4.929 -7.517 111 2HA GLY 11 HA2 GLY 11 -3.369 -4.002 -8.883 112 H GLN 12 HN GLN 12 -2.090 -1.640 -8.565 113 HA GLN 12 HA GLN 12 0.450 -2.120 -9.704 114 1HB GLN 12 HB2 GLN 12 -0.619 0.419 -8.443 115 2HB GLN 12 HB3 GLN 12 0.740 0.306 -9.551 116 1HG GLN 12 HG2 GLN 12 -0.814 -0.532 -11.289 117 2HG GLN 12 HG3 GLN 12 -2.145 -0.261 -10.163 118 1HE2 GLN 12 HE21 GLN 12 -3.199 1.539 -10.523 119 2HE2 GLN 12 HE22 GLN 12 -2.536 3.012 -11.136 120 H ILE 13 HN ILE 13 -0.701 -1.533 -6.472 121 HA ILE 13 HA ILE 13 1.832 -0.968 -5.297 122 HB ILE 13 HB ILE 13 -0.808 -1.746 -4.070 123 1HG1 ILE 13 HG12 ILE 13 0.628 0.909 -4.289 124 2HG1 ILE 13 HG13 ILE 13 -0.766 0.418 -5.245 125 1HG2 ILE 13 HG21 ILE 13 1.815 -1.605 -2.874 126 2HG2 ILE 13 HG22 ILE 13 0.720 -0.428 -2.151 127 3HG2 ILE 13 HG23 ILE 13 0.285 -2.138 -2.175 128 1HD1 ILE 13 HD11 ILE 13 -1.503 1.877 -3.516 129 2HD1 ILE 13 HD12 ILE 13 -2.066 0.249 -3.137 130 3HD1 ILE 13 HD13 ILE 13 -0.676 0.922 -2.286 131 H ILE 14 HN ILE 14 -0.217 -3.888 -5.427 132 HA ILE 14 HA ILE 14 1.336 -5.518 -3.789 133 HB ILE 14 HB ILE 14 -0.574 -6.059 -6.018 134 1HG1 ILE 14 HG12 ILE 14 -1.420 -5.599 -3.771 135 2HG1 ILE 14 HG13 ILE 14 -1.767 -7.266 -4.222 136 1HG2 ILE 14 HG21 ILE 14 1.066 -7.739 -6.476 137 2HG2 ILE 14 HG22 ILE 14 1.205 -8.148 -4.766 138 3HG2 ILE 14 HG23 ILE 14 -0.281 -8.515 -5.643 139 1HD1 ILE 14 HD11 ILE 14 0.154 -6.213 -2.210 140 2HD1 ILE 14 HD12 ILE 14 -1.043 -7.500 -2.066 141 3HD1 ILE 14 HD13 ILE 14 0.446 -7.779 -2.967 142 H GLY 15 HN GLY 15 1.487 -5.179 -7.346 143 1HA GLY 15 HA1 GLY 15 3.750 -6.831 -7.695 144 2HA GLY 15 HA2 GLY 15 3.227 -5.569 -8.808 145 H ALA 16 HN ALA 16 3.346 -3.467 -6.884 146 HA ALA 16 HA ALA 16 6.015 -2.617 -7.205 147 1HB ALA 16 HB1 ALA 16 3.519 -1.543 -6.195 148 2HB ALA 16 HB2 ALA 16 4.892 -1.024 -5.220 149 3HB ALA 16 HB3 ALA 16 4.882 -0.713 -6.958 150 H LEU 17 HN LEU 17 4.373 -4.354 -4.692 151 HA LEU 17 HA LEU 17 6.349 -3.869 -2.658 152 1HB LEU 17 HB2 LEU 17 3.965 -5.698 -2.867 153 2HB LEU 17 HB3 LEU 17 5.047 -5.730 -1.490 154 HG LEU 17 HG LEU 17 3.631 -3.213 -2.347 155 1HD1 LEU 17 HD11 LEU 17 2.033 -5.102 -1.844 156 2HD1 LEU 17 HD12 LEU 17 2.671 -5.088 -0.201 157 3HD1 LEU 17 HD13 LEU 17 1.866 -3.659 -0.845 158 1HD2 LEU 17 HD21 LEU 17 4.567 -2.268 -0.549 159 2HD2 LEU 17 HD22 LEU 17 4.250 -3.671 0.472 160 3HD2 LEU 17 HD23 LEU 17 5.674 -3.640 -0.569 161 H ALA 18 HN ALA 18 5.688 -6.216 -5.114 162 HA ALA 18 HA ALA 18 7.221 -8.373 -4.185 163 1HB ALA 18 HB1 ALA 18 6.181 -7.494 -6.806 164 2HB ALA 18 HB2 ALA 18 7.515 -8.647 -6.837 165 3HB ALA 18 HB3 ALA 18 6.024 -9.045 -5.983 166 H GLY 19 HN GLY 19 9.366 -8.825 -4.157 167 1HA GLY 19 HA1 GLY 19 11.557 -8.577 -5.227 168 2HA GLY 19 HA2 GLY 19 11.172 -6.879 -5.457 169 H ALA 20 HN ALA 20 10.044 -6.577 -2.777 170 HA ALA 20 HA ALA 20 12.223 -5.607 -1.384 171 1HB ALA 20 HB1 ALA 20 10.766 -5.119 0.299 172 2HB ALA 20 HB2 ALA 20 9.618 -5.413 -1.008 173 3HB ALA 20 HB3 ALA 20 9.939 -6.673 0.185 174 H ASP 21 HN ASP 21 12.404 -6.451 1.090 175 HA ASP 21 HA ASP 21 14.058 -8.731 1.011 176 1HB ASP 21 HB2 ASP 21 12.733 -7.185 3.244 177 2HB ASP 21 HB3 ASP 21 13.770 -8.580 3.570 178 H PHE 22 HN PHE 22 12.097 -9.402 3.677 179 HA PHE 22 HA PHE 22 11.108 -11.782 2.493 180 1HB PHE 22 HB2 PHE 22 10.054 -12.249 4.566 181 2HB PHE 22 HB3 PHE 22 11.479 -11.337 5.008 182 HD1 PHE 22 HD1 PHE 22 10.762 -10.587 7.128 183 HD2 PHE 22 HD2 PHE 22 8.351 -9.822 3.730 184 HE1 PHE 22 HE1 PHE 22 9.372 -9.032 8.436 185 HE2 PHE 22 HE2 PHE 22 6.969 -8.276 4.996 186 HZ PHE 22 HZ PHE 22 7.476 -7.882 7.364 187 HA PRO 23 HA PRO 23 7.349 -10.292 0.756 188 1HB PRO 23 HB2 PRO 23 5.156 -11.223 2.014 189 2HB PRO 23 HB3 PRO 23 6.197 -12.253 1.035 190 1HG PRO 23 HG2 PRO 23 6.081 -11.954 4.004 191 2HG PRO 23 HG3 PRO 23 6.278 -13.422 3.031 192 1HD PRO 23 HD2 PRO 23 8.343 -12.128 4.260 193 2HD PRO 23 HD3 PRO 23 8.541 -13.108 2.794 194 H ILE 24 HN ILE 24 8.361 -8.236 2.050 195 HA ILE 24 HA ILE 24 7.383 -6.079 2.282 196 HB ILE 24 HB ILE 24 5.323 -7.465 3.970 197 1HG1 ILE 24 HG12 ILE 24 5.093 -7.845 1.558 198 2HG1 ILE 24 HG13 ILE 24 3.808 -6.789 2.142 199 1HG2 ILE 24 HG21 ILE 24 4.559 -4.830 3.285 200 2HG2 ILE 24 HG22 ILE 24 4.848 -5.502 4.885 201 3HG2 ILE 24 HG23 ILE 24 6.167 -4.752 3.997 202 1HD1 ILE 24 HD11 ILE 24 4.418 -5.645 0.297 203 2HD1 ILE 24 HD12 ILE 24 5.559 -4.934 1.439 204 3HD1 ILE 24 HD13 ILE 24 6.084 -6.219 0.351 205 H ASN 25 HN ASN 25 9.643 -6.333 3.383 206 HA ASN 25 HA ASN 25 9.798 -6.481 6.228 207 1HB ASN 25 HB2 ASN 25 11.591 -5.518 4.049 208 2HB ASN 25 HB3 ASN 25 11.955 -5.015 5.695 209 1HD2 ASN 25 HD21 ASN 25 10.443 -8.066 5.336 210 2HD2 ASN 25 HD22 ASN 25 11.845 -9.033 5.612 211 H SER 26 HN SER 26 7.764 -4.975 6.405 212 HA SER 26 HA SER 26 6.898 -2.983 7.098 213 1HB SER 26 HB2 SER 26 8.284 -1.532 8.393 214 2HB SER 26 HB3 SER 26 8.907 -3.157 8.664 215 HG SER 26 HG SER 26 10.582 -1.669 8.240 216 HA PRO 27 HA PRO 27 6.738 -0.333 3.656 217 1HB PRO 27 HB2 PRO 27 7.048 1.993 5.496 218 2HB PRO 27 HB3 PRO 27 5.826 1.707 4.250 219 1HG PRO 27 HG2 PRO 27 5.255 1.373 6.839 220 2HG PRO 27 HG3 PRO 27 4.589 0.289 5.603 221 1HD PRO 27 HD2 PRO 27 6.777 -0.192 7.566 222 2HD PRO 27 HD3 PRO 27 5.595 -1.330 6.884 223 H GLU 28 HN GLU 28 9.268 0.410 5.997 224 HA GLU 28 HA GLU 28 10.847 2.058 4.425 225 1HB GLU 28 HB2 GLU 28 11.820 -0.080 6.330 226 2HB GLU 28 HB3 GLU 28 12.731 1.325 5.791 227 1HG GLU 28 HG2 GLU 28 11.095 2.789 6.886 228 2HG GLU 28 HG3 GLU 28 10.222 1.365 7.456 229 H GLU 29 HN GLU 29 11.054 -1.502 4.700 230 HA GLU 29 HA GLU 29 12.946 -1.738 2.576 231 1HB GLU 29 HB2 GLU 29 12.703 -3.307 4.477 232 2HB GLU 29 HB3 GLU 29 11.155 -3.805 3.765 233 1HG GLU 29 HG2 GLU 29 12.958 -5.354 3.178 234 2HG GLU 29 HG3 GLU 29 12.309 -4.543 1.755 235 H LEU 30 HN LEU 30 9.551 -2.885 2.859 236 HA LEU 30 HA LEU 30 9.268 -3.800 0.287 237 1HB LEU 30 HB2 LEU 30 6.906 -3.596 0.572 238 2HB LEU 30 HB3 LEU 30 7.596 -4.017 2.126 239 HG LEU 30 HG LEU 30 7.548 -1.428 2.512 240 1HD1 LEU 30 HD11 LEU 30 6.418 -0.169 1.080 241 2HD1 LEU 30 HD12 LEU 30 6.388 -1.551 -0.012 242 3HD1 LEU 30 HD13 LEU 30 5.044 -1.276 1.098 243 1HD2 LEU 30 HD21 LEU 30 6.343 -2.927 3.914 244 2HD2 LEU 30 HD22 LEU 30 5.222 -1.666 3.406 245 3HD2 LEU 30 HD23 LEU 30 5.164 -3.253 2.644 246 H MET 31 HN MET 31 8.997 -0.480 1.484 247 HA MET 31 HA MET 31 8.249 0.652 -1.019 248 1HB MET 31 HB2 MET 31 9.547 1.877 1.416 249 2HB MET 31 HB3 MET 31 9.179 2.801 -0.028 250 1HG MET 31 HG2 MET 31 6.799 2.168 0.229 251 2HG MET 31 HG3 MET 31 7.210 1.396 1.758 252 1HE MET 31 HE1 MET 31 7.913 3.019 4.086 253 2HE MET 31 HE2 MET 31 9.281 3.005 2.977 254 3HE MET 31 HE3 MET 31 8.719 4.528 3.664 255 H ALA 32 HN ALA 32 11.272 -0.258 0.547 256 HA ALA 32 HA ALA 32 12.993 1.114 -1.270 257 1HB ALA 32 HB1 ALA 32 14.067 -1.374 -0.189 258 2HB ALA 32 HB2 ALA 32 14.627 0.285 0.016 259 3HB ALA 32 HB3 ALA 32 13.336 -0.342 1.040 260 H ALA 33 HN ALA 33 11.240 -1.867 -1.377 261 HA ALA 33 HA ALA 33 12.673 -3.154 -3.449 262 1HB ALA 33 HB1 ALA 33 11.070 -4.782 -3.324 263 2HB ALA 33 HB2 ALA 33 10.949 -4.048 -1.725 264 3HB ALA 33 HB3 ALA 33 9.775 -3.637 -2.976 265 H LEU 34 HN LEU 34 9.667 -1.252 -3.456 266 HA LEU 34 HA LEU 34 8.688 -1.546 -5.895 267 1HB LEU 34 HB2 LEU 34 9.069 1.012 -4.388 268 2HB LEU 34 HB3 LEU 34 8.280 1.006 -5.955 269 HG LEU 34 HG LEU 34 6.694 -0.737 -5.006 270 1HD1 LEU 34 HD11 LEU 34 7.417 -1.612 -3.076 271 2HD1 LEU 34 HD12 LEU 34 8.345 -0.176 -2.650 272 3HD1 LEU 34 HD13 LEU 34 6.607 -0.215 -2.368 273 1HD2 LEU 34 HD21 LEU 34 5.522 1.166 -5.178 274 2HD2 LEU 34 HD22 LEU 34 5.673 1.199 -3.422 275 3HD2 LEU 34 HD23 LEU 34 6.779 2.134 -4.420 276 HA PRO 35 HA PRO 35 11.509 -1.149 -9.191 277 1HB PRO 35 HB2 PRO 35 9.785 0.350 -10.863 278 2HB PRO 35 HB3 PRO 35 9.986 -1.402 -10.831 279 1HG PRO 35 HG2 PRO 35 7.915 0.291 -9.516 280 2HG PRO 35 HG3 PRO 35 7.773 -1.342 -10.192 281 1HD PRO 35 HD2 PRO 35 7.857 -0.961 -7.564 282 2HD PRO 35 HD3 PRO 35 8.711 -2.332 -8.305 283 H ASN 36 HN ASN 36 9.721 1.854 -8.460 284 HA ASN 36 HA ASN 36 11.633 3.549 -9.720 285 1HB ASN 36 HB2 ASN 36 10.379 5.363 -8.642 286 2HB ASN 36 HB3 ASN 36 9.278 4.185 -9.361 287 1HD2 ASN 36 HD21 ASN 36 9.830 5.981 -6.676 288 2HD2 ASN 36 HD22 ASN 36 8.989 5.052 -5.517 289 H GLY 37 HN GLY 37 11.324 2.235 -6.500 290 1HA GLY 37 HA1 GLY 37 13.261 2.109 -5.068 291 2HA GLY 37 HA2 GLY 37 13.804 3.638 -5.745 292 HA PRO 38 HA PRO 38 11.741 5.726 -2.415 293 1HB PRO 38 HB2 PRO 38 10.903 8.042 -3.474 294 2HB PRO 38 HB3 PRO 38 12.622 7.660 -3.320 295 1HG PRO 38 HG2 PRO 38 10.857 7.529 -5.723 296 2HG PRO 38 HG3 PRO 38 12.539 8.074 -5.594 297 1HD PRO 38 HD2 PRO 38 11.756 5.579 -6.485 298 2HD PRO 38 HD3 PRO 38 13.359 5.953 -5.830 299 H ASP 39 HN ASP 39 10.061 3.773 -3.371 300 HA ASP 39 HA ASP 39 7.980 3.061 -3.583 301 1HB ASP 39 HB2 ASP 39 6.377 4.064 -1.971 302 2HB ASP 39 HB3 ASP 39 7.904 3.576 -1.268 303 H THR 40 HN THR 40 7.512 3.350 -5.670 304 HA THR 40 HA THR 40 6.709 5.681 -6.957 305 HB THR 40 HB THR 40 7.260 3.830 -8.330 306 HG1 THR 40 HG1 THR 40 5.561 5.058 -9.200 307 1HG2 THR 40 HG21 THR 40 6.870 1.959 -6.923 308 2HG2 THR 40 HG22 THR 40 5.805 1.749 -8.313 309 3HG2 THR 40 HG23 THR 40 5.153 2.333 -6.783 310 H THR 41 HN THR 41 4.843 6.785 -7.106 311 HA THR 41 HA THR 41 2.715 6.119 -5.278 312 HB THR 41 HB THR 41 2.757 8.373 -7.290 313 HG1 THR 41 HG1 THR 41 4.107 9.396 -6.011 314 1HG2 THR 41 HG21 THR 41 0.585 8.158 -6.402 315 2HG2 THR 41 HG22 THR 41 1.337 9.431 -5.443 316 3HG2 THR 41 HG23 THR 41 1.191 7.801 -4.784 317 H CYS 42 HN CYS 42 1.069 4.816 -5.792 318 HA CYS 42 HA CYS 42 0.431 4.341 -8.605 319 1HB CYS 42 HB2 CYS 42 -0.674 2.989 -6.127 320 2HB CYS 42 HB3 CYS 42 -0.951 2.486 -7.794 321 HG CYS 42 HG CYS 42 0.817 0.668 -6.702 322 H LYS 43 HN LYS 43 -0.144 6.872 -7.780 323 HA LYS 43 HA LYS 43 -2.838 7.174 -6.887 324 1HB LYS 43 HB2 LYS 43 -2.484 9.561 -7.454 325 2HB LYS 43 HB3 LYS 43 -1.241 8.908 -6.394 326 1HG LYS 43 HG2 LYS 43 0.267 8.680 -8.306 327 2HG LYS 43 HG3 LYS 43 -0.984 9.322 -9.370 328 1HD LYS 43 HD2 LYS 43 -0.965 11.426 -8.121 329 2HD LYS 43 HD3 LYS 43 0.279 10.780 -7.050 330 1HE LYS 43 HE2 LYS 43 0.550 11.207 -10.024 331 2HE LYS 43 HE3 LYS 43 1.241 12.231 -8.767 332 1HZ LYS 43 HZ1 LYS 43 2.924 10.765 -9.547 333 2HZ LYS 43 HZ2 LYS 43 1.934 9.407 -9.353 334 3HZ LYS 43 HZ3 LYS 43 2.490 10.247 -7.995 335 H SER 44 HN SER 44 -4.638 7.734 -8.001 336 HA SER 44 HA SER 44 -4.492 7.814 -10.930 337 1HB SER 44 HB2 SER 44 -6.484 6.190 -9.321 338 2HB SER 44 HB3 SER 44 -6.517 6.403 -11.071 339 HG SER 44 HG SER 44 -4.765 5.150 -11.277 340 H GLY 45 HN GLY 45 -5.435 9.611 -11.653 341 1HA GLY 45 HA1 GLY 45 -6.865 11.407 -11.803 342 2HA GLY 45 HA2 GLY 45 -7.950 10.543 -10.723 343 H ASP 46 HN ASP 46 -8.484 11.943 -9.173 344 HA ASP 46 HA ASP 46 -6.642 13.915 -8.181 345 1HB ASP 46 HB2 ASP 46 -9.033 14.417 -8.403 346 2HB ASP 46 HB3 ASP 46 -9.412 13.165 -7.226 347 H VAL 47 HN VAL 47 -7.690 10.747 -7.192 348 HA VAL 47 HA VAL 47 -6.716 11.038 -4.485 349 HB VAL 47 HB VAL 47 -7.622 8.530 -5.897 350 1HG1 VAL 47 HG11 VAL 47 -7.983 8.823 -3.000 351 2HG1 VAL 47 HG12 VAL 47 -7.440 7.438 -3.945 352 3HG1 VAL 47 HG13 VAL 47 -6.306 8.724 -3.534 353 1HG2 VAL 47 HG21 VAL 47 -9.734 9.049 -4.466 354 2HG2 VAL 47 HG22 VAL 47 -9.138 10.708 -4.527 355 3HG2 VAL 47 HG23 VAL 47 -9.511 9.849 -6.021 356 H GLU 48 HN GLU 48 -4.849 10.256 -3.633 357 HA GLU 48 HA GLU 48 -3.000 8.832 -5.426 358 1HB GLU 48 HB2 GLU 48 -2.253 10.982 -3.430 359 2HB GLU 48 HB3 GLU 48 -1.123 10.038 -4.388 360 1HG GLU 48 HG2 GLU 48 -1.433 12.281 -5.283 361 2HG GLU 48 HG3 GLU 48 -1.950 11.046 -6.421 362 H LEU 49 HN LEU 49 -2.002 7.068 -4.560 363 HA LEU 49 HA LEU 49 -2.062 6.697 -1.660 364 1HB LEU 49 HB2 LEU 49 -3.240 4.792 -3.669 365 2HB LEU 49 HB3 LEU 49 -2.759 4.281 -2.064 366 HG LEU 49 HG LEU 49 -5.110 4.651 -2.041 367 1HD1 LEU 49 HD11 LEU 49 -5.333 6.321 -0.305 368 2HD1 LEU 49 HD12 LEU 49 -3.860 5.383 -0.062 369 3HD1 LEU 49 HD13 LEU 49 -3.768 7.011 -0.733 370 1HD2 LEU 49 HD21 LEU 49 -5.210 7.489 -2.564 371 2HD2 LEU 49 HD22 LEU 49 -4.594 6.598 -3.954 372 3HD2 LEU 49 HD23 LEU 49 -6.160 6.178 -3.262 373 H LYS 50 HN LYS 50 -0.400 5.546 -0.831 374 HA LYS 50 HA LYS 50 1.243 3.747 -2.191 375 1HB LYS 50 HB2 LYS 50 3.260 5.063 -2.557 376 2HB LYS 50 HB3 LYS 50 1.927 5.711 -3.502 377 1HG LYS 50 HG2 LYS 50 1.594 7.428 -1.731 378 2HG LYS 50 HG3 LYS 50 3.057 6.824 -0.950 379 1HD LYS 50 HD2 LYS 50 4.356 7.344 -2.942 380 2HD LYS 50 HD3 LYS 50 2.895 7.908 -3.754 381 1HE LYS 50 HE2 LYS 50 2.645 9.682 -2.110 382 2HE LYS 50 HE3 LYS 50 4.069 9.105 -1.248 383 1HZ LYS 50 HZ1 LYS 50 4.210 9.916 -4.087 384 2HZ LYS 50 HZ2 LYS 50 5.468 9.781 -2.964 385 3HZ LYS 50 HZ3 LYS 50 4.357 11.049 -2.839 386 H ALA 51 HN ALA 51 2.959 2.960 -0.880 387 HA ALA 51 HA ALA 51 2.446 2.737 1.792 388 1HB ALA 51 HB1 ALA 51 4.845 2.285 0.121 389 2HB ALA 51 HB2 ALA 51 5.071 2.305 1.870 390 3HB ALA 51 HB3 ALA 51 3.940 1.166 1.141 391 H SER 52 HN SER 52 4.221 5.314 0.209 392 HA SER 52 HA SER 52 5.413 6.359 2.566 393 1HB SER 52 HB2 SER 52 6.313 6.897 0.375 394 2HB SER 52 HB3 SER 52 4.807 7.696 -0.078 395 HG SER 52 HG SER 52 5.309 9.377 1.144 396 H ASP 53 HN ASP 53 2.606 7.517 0.673 397 HA ASP 53 HA ASP 53 1.872 9.452 2.627 398 1HB ASP 53 HB2 ASP 53 0.337 8.316 0.285 399 2HB ASP 53 HB3 ASP 53 -0.201 9.681 1.259 400 H ALA 54 HN ALA 54 0.388 6.352 1.672 401 HA ALA 54 HA ALA 54 -1.463 6.474 3.887 402 1HB ALA 54 HB1 ALA 54 -2.142 5.597 1.693 403 2HB ALA 54 HB2 ALA 54 -1.017 4.255 1.900 404 3HB ALA 54 HB3 ALA 54 -2.389 4.433 2.994 405 H GLY 55 HN GLY 55 1.288 4.406 2.955 406 1HA GLY 55 HA1 GLY 55 1.235 2.489 4.894 407 2HA GLY 55 HA2 GLY 55 2.729 3.183 4.295 408 H GLN 56 HN GLN 56 1.996 5.859 5.381 409 HA GLN 56 HA GLN 56 3.411 5.942 7.701 410 1HB GLN 56 HB2 GLN 56 2.172 8.009 8.263 411 2HB GLN 56 HB3 GLN 56 2.680 7.963 6.578 412 1HG GLN 56 HG2 GLN 56 0.405 7.244 5.957 413 2HG GLN 56 HG3 GLN 56 -0.074 7.392 7.645 414 1HE2 GLN 56 HE21 GLN 56 -1.137 9.178 8.055 415 2HE2 GLN 56 HE22 GLN 56 -0.891 10.714 7.303 416 H VAL 57 HN VAL 57 0.085 4.980 7.309 417 HA VAL 57 HA VAL 57 -0.554 4.993 10.097 418 HB VAL 57 HB VAL 57 -2.632 3.873 9.413 419 1HG1 VAL 57 HG11 VAL 57 -3.130 6.048 9.176 420 2HG1 VAL 57 HG12 VAL 57 -1.627 6.395 8.319 421 3HG1 VAL 57 HG13 VAL 57 -3.012 5.739 7.444 422 1HG2 VAL 57 HG21 VAL 57 -2.289 4.072 6.561 423 2HG2 VAL 57 HG22 VAL 57 -1.086 2.983 7.251 424 3HG2 VAL 57 HG23 VAL 57 -2.802 2.694 7.532 425 H LEU 58 HN LEU 58 1.796 3.344 9.281 426 HA LEU 58 HA LEU 58 0.903 0.836 10.518 427 1HB LEU 58 HB2 LEU 58 2.967 0.982 8.317 428 2HB LEU 58 HB3 LEU 58 2.316 -0.465 9.066 429 HG LEU 58 HG LEU 58 0.736 1.454 7.348 430 1HD1 LEU 58 HD11 LEU 58 1.884 0.440 5.704 431 2HD1 LEU 58 HD12 LEU 58 2.369 -0.912 6.727 432 3HD1 LEU 58 HD13 LEU 58 0.761 -0.886 6.004 433 1HD2 LEU 58 HD21 LEU 58 0.012 -0.857 9.026 434 2HD2 LEU 58 HD22 LEU 58 -0.962 0.515 8.495 435 3HD2 LEU 58 HD23 LEU 58 -0.682 -0.842 7.404 436 H THR 59 HN THR 59 1.813 0.910 12.474 437 HA THR 59 HA THR 59 4.154 2.361 13.105 438 HB THR 59 HB THR 59 4.042 1.268 15.307 439 HG1 THR 59 HG1 THR 59 1.944 -0.250 14.110 440 1HG2 THR 59 HG21 THR 59 1.799 2.058 15.941 441 2HG2 THR 59 HG22 THR 59 1.362 2.159 14.235 442 3HG2 THR 59 HG23 THR 59 2.625 3.204 14.887 443 H ALA 60 HN ALA 60 6.171 1.555 13.916 444 HA ALA 60 HA ALA 60 7.564 -0.105 12.244 445 1HB ALA 60 HB1 ALA 60 9.227 -0.324 14.090 446 2HB ALA 60 HB2 ALA 60 8.720 1.334 13.764 447 3HB ALA 60 HB3 ALA 60 8.069 0.471 15.157 448 H ASP 61 HN ASP 61 5.750 -0.998 15.132 449 HA ASP 61 HA ASP 61 6.596 -3.609 15.486 450 1HB ASP 61 HB2 ASP 61 3.794 -2.512 15.818 451 2HB ASP 61 HB3 ASP 61 4.380 -4.027 16.499 452 H ASP 62 HN ASP 62 4.622 -2.245 12.992 453 HA ASP 62 HA ASP 62 3.453 -4.672 12.066 454 1HB ASP 62 HB2 ASP 62 3.865 -2.071 10.585 455 2HB ASP 62 HB3 ASP 62 2.775 -3.370 10.122 456 H PHE 63 HN PHE 63 6.640 -3.903 12.071 457 HA PHE 63 HA PHE 63 7.698 -4.096 9.600 458 1HB PHE 63 HB2 PHE 63 8.564 -4.930 12.251 459 2HB PHE 63 HB3 PHE 63 9.268 -5.923 10.981 460 HD1 PHE 63 HD1 PHE 63 8.447 -2.300 11.193 461 HD2 PHE 63 HD2 PHE 63 11.445 -5.264 10.627 462 HE1 PHE 63 HE1 PHE 63 10.099 -0.537 10.743 463 HE2 PHE 63 HE2 PHE 63 13.104 -3.507 10.178 464 HZ PHE 63 HZ PHE 63 12.477 -1.171 10.266 465 HA PRO 64 HA PRO 64 7.245 -8.852 9.268 466 1HB PRO 64 HB2 PRO 64 5.956 -10.210 11.210 467 2HB PRO 64 HB3 PRO 64 7.681 -9.835 11.303 468 1HG PRO 64 HG2 PRO 64 5.369 -8.450 12.607 469 2HG PRO 64 HG3 PRO 64 6.947 -8.876 13.292 470 1HD PRO 64 HD2 PRO 64 6.338 -6.376 12.404 471 2HD PRO 64 HD3 PRO 64 7.982 -7.042 12.371 472 H PHE 65 HN PHE 65 5.729 -7.527 7.872 473 HA PHE 65 HA PHE 65 2.923 -7.637 8.421 474 1HB PHE 65 HB2 PHE 65 4.670 -6.445 6.450 475 2HB PHE 65 HB3 PHE 65 3.278 -7.199 5.677 476 HD1 PHE 65 HD1 PHE 65 4.476 -4.462 7.628 477 HD2 PHE 65 HD2 PHE 65 0.964 -6.469 6.357 478 HE1 PHE 65 HE1 PHE 65 3.159 -2.495 8.246 479 HE2 PHE 65 HE2 PHE 65 -0.381 -4.499 6.954 480 HZ PHE 65 HZ PHE 65 0.602 -2.547 7.785 481 H LYS 66 HN LYS 66 1.386 -8.982 7.586 482 HA LYS 66 HA LYS 66 2.160 -11.611 6.865 483 1HB LYS 66 HB2 LYS 66 0.067 -11.103 8.073 484 2HB LYS 66 HB3 LYS 66 -0.554 -10.314 6.633 485 1HG LYS 66 HG2 LYS 66 -0.422 -12.424 5.412 486 2HG LYS 66 HG3 LYS 66 0.172 -13.220 6.869 487 1HD LYS 66 HD2 LYS 66 -2.499 -11.839 6.605 488 2HD LYS 66 HD3 LYS 66 -2.241 -13.582 6.512 489 1HE LYS 66 HE2 LYS 66 -1.339 -13.544 8.805 490 2HE LYS 66 HE3 LYS 66 -1.673 -11.815 8.890 491 1HZ LYS 66 HZ1 LYS 66 -3.949 -13.383 8.102 492 2HZ LYS 66 HZ2 LYS 66 -3.820 -12.182 9.286 493 3HZ LYS 66 HZ3 LYS 66 -3.374 -13.773 9.645 494 H SER 67 HN SER 67 3.557 -10.784 5.070 495 HA SER 67 HA SER 67 4.045 -10.673 2.876 496 1HB SER 67 HB2 SER 67 1.349 -11.979 2.524 497 2HB SER 67 HB3 SER 67 2.645 -11.935 1.328 498 HG SER 67 HG SER 67 2.875 -13.856 2.340 499 H ALA 68 HN ALA 68 3.522 -9.690 0.805 500 HA ALA 68 HA ALA 68 2.695 -7.071 1.001 501 1HB ALA 68 HB1 ALA 68 3.236 -8.943 -1.203 502 2HB ALA 68 HB2 ALA 68 2.277 -7.521 -1.615 503 3HB ALA 68 HB3 ALA 68 3.877 -7.329 -0.898 504 H GLU 69 HN GLU 69 0.759 -9.912 0.438 505 HA GLU 69 HA GLU 69 -1.519 -8.711 -0.626 506 1HB GLU 69 HB2 GLU 69 -2.743 -10.672 0.276 507 2HB GLU 69 HB3 GLU 69 -1.297 -11.105 -0.625 508 1HG GLU 69 HG2 GLU 69 -0.107 -11.336 1.519 509 2HG GLU 69 HG3 GLU 69 -1.628 -11.021 2.348 510 H GLU 70 HN GLU 70 -0.657 -9.246 2.837 511 HA GLU 70 HA GLU 70 -3.090 -8.030 3.676 512 1HB GLU 70 HB2 GLU 70 -2.554 -8.592 5.804 513 2HB GLU 70 HB3 GLU 70 -1.497 -9.707 4.956 514 1HG GLU 70 HG2 GLU 70 0.337 -8.757 5.776 515 2HG GLU 70 HG3 GLU 70 -0.257 -7.135 5.453 516 H VAL 71 HN VAL 71 0.166 -6.892 3.148 517 HA VAL 71 HA VAL 71 -0.103 -4.378 4.400 518 HB VAL 71 HB VAL 71 1.586 -5.043 1.997 519 1HG1 VAL 71 HG11 VAL 71 1.285 -2.622 2.520 520 2HG1 VAL 71 HG12 VAL 71 2.004 -2.928 4.101 521 3HG1 VAL 71 HG13 VAL 71 2.952 -3.184 2.636 522 1HG2 VAL 71 HG21 VAL 71 3.018 -6.144 3.311 523 2HG2 VAL 71 HG22 VAL 71 2.862 -4.979 4.617 524 3HG2 VAL 71 HG23 VAL 71 1.678 -6.272 4.439 525 H ALA 72 HN ALA 72 -0.818 -5.497 1.133 526 HA ALA 72 HA ALA 72 -1.425 -3.005 0.003 527 1HB ALA 72 HB1 ALA 72 -1.398 -4.397 -1.737 528 2HB ALA 72 HB2 ALA 72 -1.729 -5.800 -0.721 529 3HB ALA 72 HB3 ALA 72 -3.060 -4.807 -1.313 530 H ASP 73 HN ASP 73 -3.644 -5.496 1.291 531 HA ASP 73 HA ASP 73 -5.975 -3.930 1.054 532 1HB ASP 73 HB2 ASP 73 -5.405 -6.248 2.912 533 2HB ASP 73 HB3 ASP 73 -7.003 -5.595 2.564 534 H THR 74 HN THR 74 -3.788 -4.480 3.774 535 HA THR 74 HA THR 74 -5.167 -3.192 5.792 536 HB THR 74 HB THR 74 -2.186 -3.353 5.325 537 HG1 THR 74 HG1 THR 74 -2.507 -5.329 5.978 538 1HG2 THR 74 HG21 THR 74 -2.686 -1.527 6.879 539 2HG2 THR 74 HG22 THR 74 -1.925 -2.882 7.710 540 3HG2 THR 74 HG23 THR 74 -3.663 -2.622 7.857 541 H ILE 75 HN ILE 75 -2.866 -1.766 3.476 542 HA ILE 75 HA ILE 75 -2.981 0.835 4.547 543 HB ILE 75 HB ILE 75 -2.228 -0.085 1.773 544 1HG1 ILE 75 HG12 ILE 75 -0.553 0.704 4.169 545 2HG1 ILE 75 HG13 ILE 75 -0.843 -0.947 3.639 546 1HG2 ILE 75 HG21 ILE 75 -1.751 2.593 3.074 547 2HG2 ILE 75 HG22 ILE 75 -1.160 2.085 1.493 548 3HG2 ILE 75 HG23 ILE 75 -2.892 2.279 1.767 549 1HD1 ILE 75 HD11 ILE 75 0.359 1.006 1.743 550 2HD1 ILE 75 HD12 ILE 75 1.357 0.277 3.001 551 3HD1 ILE 75 HD13 ILE 75 0.540 -0.747 1.821 552 H VAL 76 HN VAL 76 -4.719 -0.576 1.746 553 HA VAL 76 HA VAL 76 -6.130 1.723 1.044 554 HB VAL 76 HB VAL 76 -7.958 0.058 0.246 555 1HG1 VAL 76 HG11 VAL 76 -6.195 -0.768 -1.555 556 2HG1 VAL 76 HG12 VAL 76 -6.749 0.906 -1.483 557 3HG1 VAL 76 HG13 VAL 76 -5.205 0.458 -0.766 558 1HG2 VAL 76 HG21 VAL 76 -7.580 -1.923 1.368 559 2HG2 VAL 76 HG22 VAL 76 -6.778 -2.220 -0.177 560 3HG2 VAL 76 HG23 VAL 76 -5.828 -1.785 1.240 561 H ASN 77 HN ASN 77 -6.848 -0.692 3.513 562 HA ASN 77 HA ASN 77 -9.451 0.186 4.133 563 1HB ASN 77 HB2 ASN 77 -7.383 -1.211 5.843 564 2HB ASN 77 HB3 ASN 77 -9.054 -0.946 6.340 565 1HD2 ASN 77 HD21 ASN 77 -7.124 -3.254 5.333 566 2HD2 ASN 77 HD22 ASN 77 -8.203 -4.215 4.386 567 H LYS 78 HN LYS 78 -6.349 0.927 5.713 568 HA LYS 78 HA LYS 78 -7.479 2.833 7.500 569 1HB LYS 78 HB2 LYS 78 -4.607 2.392 6.685 570 2HB LYS 78 HB3 LYS 78 -5.140 3.355 8.057 571 1HG LYS 78 HG2 LYS 78 -6.118 1.355 9.076 572 2HG LYS 78 HG3 LYS 78 -5.563 0.394 7.704 573 1HD LYS 78 HD2 LYS 78 -3.251 0.935 8.241 574 2HD LYS 78 HD3 LYS 78 -3.783 1.950 9.583 575 1HE LYS 78 HE2 LYS 78 -4.775 -0.012 10.664 576 2HE LYS 78 HE3 LYS 78 -4.237 -1.022 9.323 577 1HZ LYS 78 HZ1 LYS 78 -2.357 0.568 10.969 578 2HZ LYS 78 HZ2 LYS 78 -1.997 -0.698 9.907 579 3HZ LYS 78 HZ3 LYS 78 -2.792 -1.019 11.365 580 H ALA 79 HN ALA 79 -5.695 3.098 4.454 581 HA ALA 79 HA ALA 79 -5.443 5.910 4.492 582 1HB ALA 79 HB1 ALA 79 -4.414 5.701 2.480 583 2HB ALA 79 HB2 ALA 79 -4.310 4.024 3.015 584 3HB ALA 79 HB3 ALA 79 -5.572 4.511 1.884 585 H GLY 80 HN GLY 80 -8.040 3.805 3.418 586 1HA GLY 80 HA1 GLY 80 -10.118 5.489 3.564 587 2HA GLY 80 HA2 GLY 80 -9.380 5.992 2.048 588 H LEU 81 HN LEU 81 -8.682 3.823 0.796 589 HA LEU 81 HA LEU 81 -11.115 2.789 -0.187 590 1HB LEU 81 HB2 LEU 81 -8.350 1.682 -0.638 591 2HB LEU 81 HB3 LEU 81 -9.746 1.522 -1.688 592 HG LEU 81 HG LEU 81 -8.515 4.200 -1.062 593 1HD1 LEU 81 HD11 LEU 81 -7.409 3.970 -3.297 594 2HD1 LEU 81 HD12 LEU 81 -6.749 2.918 -2.046 595 3HD1 LEU 81 HD13 LEU 81 -7.831 2.260 -3.271 596 1HD2 LEU 81 HD21 LEU 81 -10.446 4.771 -2.068 597 2HD2 LEU 81 HD22 LEU 81 -9.580 4.340 -3.544 598 3HD2 LEU 81 HD23 LEU 81 -10.669 3.177 -2.789 Start of MODEL 22 1 1H GLY -3 HT1 GLY -3 -15.155 17.389 -7.114 2 2H GLY -3 HT2 GLY -3 -13.714 17.496 -6.235 3 3H GLY -3 HT3 GLY -3 -15.097 16.841 -5.514 4 1HA GLY -3 HA2 GLY -3 -15.054 15.038 -7.211 5 2HA GLY -3 HA1 GLY -3 -13.493 15.667 -7.715 6 H SER -2 HN SER -2 -12.084 14.139 -7.089 7 HA SER -2 HA SER -2 -10.826 12.809 -5.739 8 1HB SER -2 HB2 SER -2 -11.950 14.586 -3.560 9 2HB SER -2 HB3 SER -2 -10.582 13.488 -3.374 10 HG SER -2 HG SER -2 -9.648 14.738 -5.197 11 H HIS -1 HN HIS -1 -12.977 11.519 -6.514 12 HA HIS -1 HA HIS -1 -14.889 10.675 -4.719 13 1HB HIS -1 HB2 HIS -1 -13.519 9.026 -6.853 14 2HB HIS -1 HB3 HIS -1 -15.042 8.612 -6.072 15 HD1 HIS -1 HD1 HIS -1 -16.828 10.846 -6.311 16 HD2 HIS -1 HD2 HIS -1 -13.988 10.136 -9.259 17 HE1 HIS -1 HE1 HIS -1 -17.675 12.033 -8.360 18 HE2 HIS -1 HE2 HIS -1 -15.986 11.512 -10.155 19 H MET 1 HN MET 1 -14.935 9.440 -2.960 20 HA MET 1 HA MET 1 -12.543 8.609 -1.696 21 1HB MET 1 HB2 MET 1 -15.403 7.866 -1.059 22 2HB MET 1 HB3 MET 1 -14.024 7.636 0.008 23 1HG MET 1 HG2 MET 1 -15.083 10.278 -0.968 24 2HG MET 1 HG3 MET 1 -15.318 9.592 0.637 25 1HE MET 1 HE1 MET 1 -12.473 8.268 1.156 26 2HE MET 1 HE2 MET 1 -11.628 9.563 2.005 27 3HE MET 1 HE3 MET 1 -13.314 9.212 2.385 28 H LYS 2 HN LYS 2 -14.940 6.956 -3.642 29 HA LYS 2 HA LYS 2 -13.176 4.628 -3.797 30 1HB LYS 2 HB2 LYS 2 -14.874 4.206 -2.005 31 2HB LYS 2 HB3 LYS 2 -16.135 4.394 -3.215 32 1HG LYS 2 HG2 LYS 2 -15.767 2.067 -2.870 33 2HG LYS 2 HG3 LYS 2 -15.135 2.490 -4.463 34 1HD LYS 2 HD2 LYS 2 -12.876 2.552 -3.580 35 2HD LYS 2 HD3 LYS 2 -13.479 2.233 -1.953 36 1HE LYS 2 HE2 LYS 2 -12.597 0.199 -2.928 37 2HE LYS 2 HE3 LYS 2 -14.340 0.063 -2.714 38 1HZ LYS 2 HZ1 LYS 2 -14.669 0.484 -5.035 39 2HZ LYS 2 HZ2 LYS 2 -13.554 -0.778 -4.874 40 3HZ LYS 2 HZ3 LYS 2 -13.019 0.776 -5.275 41 H MET 3 HN MET 3 -13.230 3.601 -5.783 42 HA MET 3 HA MET 3 -15.356 4.091 -7.657 43 1HB MET 3 HB2 MET 3 -13.979 6.174 -7.790 44 2HB MET 3 HB3 MET 3 -12.618 5.190 -8.311 45 1HG MET 3 HG2 MET 3 -13.855 4.509 -10.296 46 2HG MET 3 HG3 MET 3 -15.242 5.457 -9.765 47 1HE MET 3 HE1 MET 3 -11.576 5.559 -9.982 48 2HE MET 3 HE2 MET 3 -11.305 6.480 -11.461 49 3HE MET 3 HE3 MET 3 -11.255 7.291 -9.896 50 H GLY 4 HN GLY 4 -14.247 1.749 -6.524 51 1HA GLY 4 HA1 GLY 4 -13.825 -0.386 -7.278 52 2HA GLY 4 HA2 GLY 4 -13.815 0.244 -8.913 53 H VAL 5 HN VAL 5 -11.631 2.100 -8.580 54 HA VAL 5 HA VAL 5 -9.504 0.422 -9.178 55 HB VAL 5 HB VAL 5 -9.769 2.947 -9.637 56 1HG1 VAL 5 HG11 VAL 5 -9.720 3.461 -7.143 57 2HG1 VAL 5 HG12 VAL 5 -7.983 3.133 -7.231 58 3HG1 VAL 5 HG13 VAL 5 -8.688 4.456 -8.171 59 1HG2 VAL 5 HG21 VAL 5 -7.317 3.218 -9.904 60 2HG2 VAL 5 HG22 VAL 5 -7.116 1.681 -9.069 61 3HG2 VAL 5 HG23 VAL 5 -7.976 1.744 -10.610 62 H LYS 6 HN LYS 6 -10.792 0.881 -6.095 63 HA LYS 6 HA LYS 6 -8.662 1.199 -4.414 64 1HB LYS 6 HB2 LYS 6 -10.814 0.879 -3.443 65 2HB LYS 6 HB3 LYS 6 -11.009 -0.690 -4.213 66 1HG LYS 6 HG2 LYS 6 -9.246 -1.607 -2.790 67 2HG LYS 6 HG3 LYS 6 -9.057 -0.035 -2.012 68 1HD LYS 6 HD2 LYS 6 -11.309 -0.142 -1.153 69 2HD LYS 6 HD3 LYS 6 -11.614 -1.634 -2.045 70 1HE LYS 6 HE2 LYS 6 -9.573 -1.288 0.150 71 2HE LYS 6 HE3 LYS 6 -11.153 -2.050 0.335 72 1HZ LYS 6 HZ1 LYS 6 -9.474 -3.722 0.044 73 2HZ LYS 6 HZ2 LYS 6 -8.926 -3.001 -1.384 74 3HZ LYS 6 HZ3 LYS 6 -10.463 -3.703 -1.329 75 H GLU 7 HN GLU 7 -9.716 -1.831 -5.926 76 HA GLU 7 HA GLU 7 -7.347 -3.232 -5.078 77 1HB GLU 7 HB2 GLU 7 -9.463 -4.438 -5.326 78 2HB GLU 7 HB3 GLU 7 -9.524 -4.020 -7.034 79 1HG GLU 7 HG2 GLU 7 -7.497 -5.325 -7.425 80 2HG GLU 7 HG3 GLU 7 -7.441 -5.747 -5.714 81 H ASP 8 HN ASP 8 -8.323 -1.372 -7.872 82 HA ASP 8 HA ASP 8 -6.483 -2.439 -9.721 83 1HB ASP 8 HB2 ASP 8 -7.978 0.113 -9.615 84 2HB ASP 8 HB3 ASP 8 -6.865 -0.233 -10.926 85 H ILE 9 HN ILE 9 -6.315 0.537 -7.793 86 HA ILE 9 HA ILE 9 -3.659 1.193 -8.532 87 HB ILE 9 HB ILE 9 -5.522 2.094 -6.349 88 1HG1 ILE 9 HG12 ILE 9 -4.066 3.547 -8.565 89 2HG1 ILE 9 HG13 ILE 9 -5.750 3.040 -8.599 90 1HG2 ILE 9 HG21 ILE 9 -3.726 2.352 -5.001 91 2HG2 ILE 9 HG22 ILE 9 -2.578 2.342 -6.341 92 3HG2 ILE 9 HG23 ILE 9 -3.490 3.806 -5.971 93 1HD1 ILE 9 HD11 ILE 9 -6.379 4.627 -7.008 94 2HD1 ILE 9 HD12 ILE 9 -4.714 4.897 -6.491 95 3HD1 ILE 9 HD13 ILE 9 -5.253 5.477 -8.067 96 H ARG 10 HN ARG 10 -5.168 -0.539 -5.868 97 HA ARG 10 HA ARG 10 -2.849 -1.092 -4.363 98 1HB ARG 10 HB2 ARG 10 -5.405 -1.517 -3.862 99 2HB ARG 10 HB3 ARG 10 -5.093 -3.077 -4.609 100 1HG ARG 10 HG2 ARG 10 -4.868 -3.324 -2.257 101 2HG ARG 10 HG3 ARG 10 -3.244 -3.393 -2.959 102 1HD ARG 10 HD2 ARG 10 -3.757 -0.691 -2.455 103 2HD ARG 10 HD3 ARG 10 -4.337 -1.564 -1.043 104 HE ARG 10 HE ARG 10 -1.842 -2.591 -1.600 105 1HH1 ARG 10 HH12 ARG 10 -3.116 0.570 -0.870 106 2HH1 ARG 10 HH11 ARG 10 -1.735 1.056 0.050 107 1HH2 ARG 10 HH22 ARG 10 -0.019 -1.951 -0.366 108 2HH2 ARG 10 HH21 ARG 10 0.021 -0.363 0.318 109 H GLY 11 HN GLY 11 -4.168 -2.355 -7.310 110 1HA GLY 11 HA1 GLY 11 -2.757 -4.824 -7.399 111 2HA GLY 11 HA2 GLY 11 -3.376 -3.939 -8.795 112 H GLN 12 HN GLN 12 -2.081 -1.573 -8.534 113 HA GLN 12 HA GLN 12 0.453 -2.097 -9.669 114 1HB GLN 12 HB2 GLN 12 -0.622 0.465 -8.461 115 2HB GLN 12 HB3 GLN 12 0.770 0.340 -9.522 116 1HG GLN 12 HG2 GLN 12 -0.719 -0.507 -11.303 117 2HG GLN 12 HG3 GLN 12 -2.089 -0.247 -10.226 118 1HE2 GLN 12 HE21 GLN 12 -3.152 1.535 -10.645 119 2HE2 GLN 12 HE22 GLN 12 -2.482 3.015 -11.233 120 H ILE 13 HN ILE 13 -0.703 -1.584 -6.443 121 HA ILE 13 HA ILE 13 1.809 -0.952 -5.251 122 HB ILE 13 HB ILE 13 -0.814 -1.826 -4.055 123 1HG1 ILE 13 HG12 ILE 13 0.565 0.862 -4.232 124 2HG1 ILE 13 HG13 ILE 13 -0.844 0.358 -5.158 125 1HG2 ILE 13 HG21 ILE 13 0.722 -0.505 -2.116 126 2HG2 ILE 13 HG22 ILE 13 0.237 -2.202 -2.137 127 3HG2 ILE 13 HG23 ILE 13 1.782 -1.716 -2.837 128 1HD1 ILE 13 HD11 ILE 13 -0.665 0.883 -2.211 129 2HD1 ILE 13 HD12 ILE 13 -1.621 1.744 -3.418 130 3HD1 ILE 13 HD13 ILE 13 -2.046 0.092 -2.971 131 H ILE 14 HN ILE 14 -0.203 -3.919 -5.276 132 HA ILE 14 HA ILE 14 1.479 -5.503 -3.735 133 HB ILE 14 HB ILE 14 -0.549 -6.097 -5.838 134 1HG1 ILE 14 HG12 ILE 14 -1.260 -5.690 -3.538 135 2HG1 ILE 14 HG13 ILE 14 -1.570 -7.369 -3.971 136 1HG2 ILE 14 HG21 ILE 14 1.039 -7.741 -6.461 137 2HG2 ILE 14 HG22 ILE 14 1.423 -8.112 -4.780 138 3HG2 ILE 14 HG23 ILE 14 -0.146 -8.563 -5.446 139 1HD1 ILE 14 HD11 ILE 14 -0.683 -7.606 -1.885 140 2HD1 ILE 14 HD12 ILE 14 0.766 -7.765 -2.876 141 3HD1 ILE 14 HD13 ILE 14 0.413 -6.237 -2.071 142 H GLY 15 HN GLY 15 1.491 -5.044 -7.270 143 1HA GLY 15 HA1 GLY 15 3.739 -6.692 -7.772 144 2HA GLY 15 HA2 GLY 15 3.158 -5.401 -8.822 145 H ALA 16 HN ALA 16 3.349 -3.328 -6.905 146 HA ALA 16 HA ALA 16 6.003 -2.463 -7.290 147 1HB ALA 16 HB1 ALA 16 3.549 -1.420 -6.150 148 2HB ALA 16 HB2 ALA 16 4.956 -0.942 -5.201 149 3HB ALA 16 HB3 ALA 16 4.888 -0.562 -6.922 150 H LEU 17 HN LEU 17 4.438 -4.239 -4.758 151 HA LEU 17 HA LEU 17 6.471 -3.827 -2.774 152 1HB LEU 17 HB2 LEU 17 4.133 -5.725 -2.970 153 2HB LEU 17 HB3 LEU 17 5.206 -5.653 -1.587 154 HG LEU 17 HG LEU 17 3.637 -3.264 -2.548 155 1HD1 LEU 17 HD11 LEU 17 2.722 -4.625 -0.119 156 2HD1 LEU 17 HD12 LEU 17 1.800 -3.892 -1.431 157 3HD1 LEU 17 HD13 LEU 17 2.445 -5.521 -1.614 158 1HD2 LEU 17 HD21 LEU 17 5.745 -3.390 -0.851 159 2HD2 LEU 17 HD22 LEU 17 4.482 -2.164 -0.780 160 3HD2 LEU 17 HD23 LEU 17 4.400 -3.575 0.275 161 H ALA 18 HN ALA 18 5.751 -6.097 -5.285 162 HA ALA 18 HA ALA 18 7.236 -8.315 -4.504 163 1HB ALA 18 HB1 ALA 18 7.068 -7.312 -7.337 164 2HB ALA 18 HB2 ALA 18 7.256 -8.977 -6.786 165 3HB ALA 18 HB3 ALA 18 5.737 -8.123 -6.512 166 H GLY 19 HN GLY 19 9.368 -8.861 -4.491 167 1HA GLY 19 HA1 GLY 19 11.615 -8.618 -5.348 168 2HA GLY 19 HA2 GLY 19 11.282 -6.913 -5.604 169 H ALA 20 HN ALA 20 10.022 -6.541 -3.009 170 HA ALA 20 HA ALA 20 12.132 -5.628 -1.488 171 1HB ALA 20 HB1 ALA 20 9.708 -6.641 -0.086 172 2HB ALA 20 HB2 ALA 20 10.596 -5.133 0.139 173 3HB ALA 20 HB3 ALA 20 9.537 -5.333 -1.257 174 H ASP 21 HN ASP 21 12.325 -6.434 0.941 175 HA ASP 21 HA ASP 21 13.861 -8.780 0.936 176 1HB ASP 21 HB2 ASP 21 12.531 -7.197 3.145 177 2HB ASP 21 HB3 ASP 21 13.584 -8.581 3.472 178 H PHE 22 HN PHE 22 11.929 -9.341 3.599 179 HA PHE 22 HA PHE 22 10.838 -11.709 2.495 180 1HB PHE 22 HB2 PHE 22 10.222 -12.199 4.618 181 2HB PHE 22 HB3 PHE 22 11.224 -10.827 5.055 182 HD1 PHE 22 HD1 PHE 22 9.046 -11.979 6.732 183 HD2 PHE 22 HD2 PHE 22 8.945 -8.865 3.834 184 HE1 PHE 22 HE1 PHE 22 7.067 -11.006 7.827 185 HE2 PHE 22 HE2 PHE 22 6.980 -7.930 4.910 186 HZ PHE 22 HZ PHE 22 6.034 -8.974 6.897 187 HA PRO 23 HA PRO 23 7.086 -10.278 0.805 188 1HB PRO 23 HB2 PRO 23 4.939 -11.165 2.204 189 2HB PRO 23 HB3 PRO 23 5.906 -12.201 1.157 190 1HG PRO 23 HG2 PRO 23 6.041 -11.868 4.131 191 2HG PRO 23 HG3 PRO 23 6.083 -13.359 3.168 192 1HD PRO 23 HD2 PRO 23 8.321 -12.248 4.153 193 2HD PRO 23 HD3 PRO 23 8.305 -13.070 2.586 194 H ILE 24 HN ILE 24 8.132 -8.183 1.994 195 HA ILE 24 HA ILE 24 7.215 -6.018 2.213 196 HB ILE 24 HB ILE 24 5.108 -7.346 3.879 197 1HG1 ILE 24 HG12 ILE 24 4.818 -7.716 1.515 198 2HG1 ILE 24 HG13 ILE 24 3.649 -6.499 2.030 199 1HG2 ILE 24 HG21 ILE 24 4.755 -5.396 4.868 200 2HG2 ILE 24 HG22 ILE 24 6.013 -4.632 3.906 201 3HG2 ILE 24 HG23 ILE 24 4.364 -4.713 3.292 202 1HD1 ILE 24 HD11 ILE 24 5.558 -4.851 1.283 203 2HD1 ILE 24 HD12 ILE 24 6.037 -6.231 0.294 204 3HD1 ILE 24 HD13 ILE 24 4.424 -5.542 0.125 205 H ASN 25 HN ASN 25 9.451 -6.354 3.287 206 HA ASN 25 HA ASN 25 9.661 -6.481 6.106 207 1HB ASN 25 HB2 ASN 25 11.403 -5.629 3.857 208 2HB ASN 25 HB3 ASN 25 11.828 -5.041 5.466 209 1HD2 ASN 25 HD21 ASN 25 13.296 -6.196 6.390 210 2HD2 ASN 25 HD22 ASN 25 13.461 -7.918 6.314 211 H SER 26 HN SER 26 7.655 -4.934 6.306 212 HA SER 26 HA SER 26 6.832 -2.939 7.024 213 1HB SER 26 HB2 SER 26 8.257 -1.513 8.312 214 2HB SER 26 HB3 SER 26 8.826 -3.156 8.585 215 HG SER 26 HG SER 26 10.237 -1.129 7.758 216 HA PRO 27 HA PRO 27 6.656 -0.317 3.566 217 1HB PRO 27 HB2 PRO 27 6.910 1.983 5.450 218 2HB PRO 27 HB3 PRO 27 5.722 1.712 4.168 219 1HG PRO 27 HG2 PRO 27 5.086 1.315 6.733 220 2HG PRO 27 HG3 PRO 27 4.462 0.252 5.459 221 1HD PRO 27 HD2 PRO 27 6.583 -0.260 7.478 222 2HD PRO 27 HD3 PRO 27 5.449 -1.391 6.708 223 H GLU 28 HN GLU 28 9.173 0.287 5.925 224 HA GLU 28 HA GLU 28 10.791 2.019 4.466 225 1HB GLU 28 HB2 GLU 28 11.745 -0.264 6.216 226 2HB GLU 28 HB3 GLU 28 12.639 1.198 5.811 227 1HG GLU 28 HG2 GLU 28 10.984 2.538 7.028 228 2HG GLU 28 HG3 GLU 28 10.120 1.062 7.456 229 H GLU 29 HN GLU 29 11.008 -1.522 4.634 230 HA GLU 29 HA GLU 29 12.899 -1.749 2.528 231 1HB GLU 29 HB2 GLU 29 12.566 -3.343 4.404 232 2HB GLU 29 HB3 GLU 29 11.045 -3.815 3.624 233 1HG GLU 29 HG2 GLU 29 12.859 -5.364 3.088 234 2HG GLU 29 HG3 GLU 29 12.269 -4.533 1.653 235 H LEU 30 HN LEU 30 9.488 -2.817 2.716 236 HA LEU 30 HA LEU 30 9.232 -3.674 0.118 237 1HB LEU 30 HB2 LEU 30 6.870 -3.459 0.381 238 2HB LEU 30 HB3 LEU 30 7.542 -3.946 1.919 239 HG LEU 30 HG LEU 30 7.498 -1.355 2.386 240 1HD1 LEU 30 HD11 LEU 30 6.382 -1.351 -0.114 241 2HD1 LEU 30 HD12 LEU 30 4.969 -1.302 0.944 242 3HD1 LEU 30 HD13 LEU 30 6.223 -0.068 1.085 243 1HD2 LEU 30 HD21 LEU 30 6.346 -2.873 3.789 244 2HD2 LEU 30 HD22 LEU 30 5.160 -1.671 3.281 245 3HD2 LEU 30 HD23 LEU 30 5.181 -3.259 2.522 246 H MET 31 HN MET 31 9.035 -0.399 1.412 247 HA MET 31 HA MET 31 8.300 0.827 -1.054 248 1HB MET 31 HB2 MET 31 9.549 1.893 1.468 249 2HB MET 31 HB3 MET 31 9.386 2.897 0.046 250 1HG MET 31 HG2 MET 31 6.963 2.490 0.063 251 2HG MET 31 HG3 MET 31 7.152 1.594 1.571 252 1HE MET 31 HE1 MET 31 9.326 3.052 3.015 253 2HE MET 31 HE2 MET 31 8.706 4.496 3.815 254 3HE MET 31 HE3 MET 31 7.871 2.956 4.007 255 H ALA 32 HN ALA 32 11.294 -0.240 0.461 256 HA ALA 32 HA ALA 32 13.025 1.158 -1.338 257 1HB ALA 32 HB1 ALA 32 14.766 0.032 -0.328 258 2HB ALA 32 HB2 ALA 32 13.545 0.048 0.943 259 3HB ALA 32 HB3 ALA 32 13.797 -1.408 -0.020 260 H ALA 33 HN ALA 33 11.281 -1.845 -1.466 261 HA ALA 33 HA ALA 33 12.726 -3.034 -3.600 262 1HB ALA 33 HB1 ALA 33 11.284 -4.764 -3.393 263 2HB ALA 33 HB2 ALA 33 11.000 -3.986 -1.836 264 3HB ALA 33 HB3 ALA 33 9.880 -3.721 -3.171 265 H LEU 34 HN LEU 34 9.829 -1.010 -3.457 266 HA LEU 34 HA LEU 34 8.699 -1.285 -5.868 267 1HB LEU 34 HB2 LEU 34 9.162 1.119 -4.188 268 2HB LEU 34 HB3 LEU 34 8.523 1.362 -5.804 269 HG LEU 34 HG LEU 34 6.645 -0.141 -5.290 270 1HD1 LEU 34 HD11 LEU 34 7.980 -1.432 -3.547 271 2HD1 LEU 34 HD12 LEU 34 7.537 -0.146 -2.430 272 3HD1 LEU 34 HD13 LEU 34 6.283 -1.115 -3.198 273 1HD2 LEU 34 HD21 LEU 34 5.525 1.300 -3.584 274 2HD2 LEU 34 HD22 LEU 34 7.054 2.148 -3.382 275 3HD2 LEU 34 HD23 LEU 34 6.229 2.177 -4.939 276 HA PRO 35 HA PRO 35 11.337 -0.827 -9.304 277 1HB PRO 35 HB2 PRO 35 9.669 0.912 -10.786 278 2HB PRO 35 HB3 PRO 35 9.731 -0.849 -10.879 279 1HG PRO 35 HG2 PRO 35 7.861 0.905 -9.369 280 2HG PRO 35 HG3 PRO 35 7.565 -0.670 -10.129 281 1HD PRO 35 HD2 PRO 35 7.792 -0.447 -7.482 282 2HD PRO 35 HD3 PRO 35 8.485 -1.840 -8.340 283 H ASN 36 HN ASN 36 9.878 2.240 -8.200 284 HA ASN 36 HA ASN 36 11.862 3.827 -9.484 285 1HB ASN 36 HB2 ASN 36 10.902 5.718 -8.362 286 2HB ASN 36 HB3 ASN 36 9.595 4.670 -8.892 287 1HD2 ASN 36 HD21 ASN 36 10.414 2.840 -6.529 288 2HD2 ASN 36 HD22 ASN 36 9.657 3.582 -5.184 289 H GLY 37 HN GLY 37 11.905 2.026 -6.578 290 1HA GLY 37 HA1 GLY 37 14.053 1.678 -5.528 291 2HA GLY 37 HA2 GLY 37 14.424 3.365 -5.842 292 HA PRO 38 HA PRO 38 12.903 4.386 -1.831 293 1HB PRO 38 HB2 PRO 38 11.574 6.716 -2.120 294 2HB PRO 38 HB3 PRO 38 13.322 6.591 -2.330 295 1HG PRO 38 HG2 PRO 38 11.172 6.756 -4.388 296 2HG PRO 38 HG3 PRO 38 12.790 7.476 -4.391 297 1HD PRO 38 HD2 PRO 38 12.085 5.172 -5.746 298 2HD PRO 38 HD3 PRO 38 13.742 5.600 -5.285 299 H ASP 39 HN ASP 39 10.210 5.145 -4.041 300 HA ASP 39 HA ASP 39 8.437 3.232 -3.227 301 1HB ASP 39 HB2 ASP 39 6.894 4.700 -1.863 302 2HB ASP 39 HB3 ASP 39 8.316 4.102 -1.028 303 H THR 40 HN THR 40 7.804 3.266 -5.362 304 HA THR 40 HA THR 40 7.150 5.661 -6.752 305 HB THR 40 HB THR 40 7.902 3.680 -7.973 306 HG1 THR 40 HG1 THR 40 6.142 3.704 -9.555 307 1HG2 THR 40 HG21 THR 40 6.978 1.870 -6.749 308 2HG2 THR 40 HG22 THR 40 6.213 1.829 -8.336 309 3HG2 THR 40 HG23 THR 40 5.336 2.477 -6.952 310 H THR 41 HN THR 41 5.248 6.677 -7.048 311 HA THR 41 HA THR 41 3.056 5.958 -5.312 312 HB THR 41 HB THR 41 3.091 8.193 -7.342 313 HG1 THR 41 HG1 THR 41 4.899 8.409 -5.955 314 1HG2 THR 41 HG21 THR 41 1.415 7.451 -4.992 315 2HG2 THR 41 HG22 THR 41 0.934 8.110 -6.557 316 3HG2 THR 41 HG23 THR 41 1.666 9.161 -5.343 317 H CYS 42 HN CYS 42 1.305 4.812 -5.867 318 HA CYS 42 HA CYS 42 0.920 4.109 -8.678 319 1HB CYS 42 HB2 CYS 42 -0.435 3.016 -6.201 320 2HB CYS 42 HB3 CYS 42 -0.644 2.402 -7.840 321 HG CYS 42 HG CYS 42 2.077 1.629 -8.067 322 H LYS 43 HN LYS 43 0.355 6.709 -8.273 323 HA LYS 43 HA LYS 43 -2.386 7.176 -7.609 324 1HB LYS 43 HB2 LYS 43 -1.957 9.462 -8.424 325 2HB LYS 43 HB3 LYS 43 -0.729 8.926 -7.284 326 1HG LYS 43 HG2 LYS 43 0.788 8.447 -9.134 327 2HG LYS 43 HG3 LYS 43 -0.445 8.968 -10.283 328 1HD LYS 43 HD2 LYS 43 -0.409 11.210 -9.304 329 2HD LYS 43 HD3 LYS 43 0.813 10.688 -8.144 330 1HE LYS 43 HE2 LYS 43 1.125 10.742 -11.144 331 2HE LYS 43 HE3 LYS 43 1.815 11.905 -10.012 332 1HZ LYS 43 HZ1 LYS 43 2.721 9.591 -9.022 333 2HZ LYS 43 HZ2 LYS 43 3.582 10.552 -10.115 334 3HZ LYS 43 HZ3 LYS 43 2.690 9.227 -10.674 335 H SER 44 HN SER 44 -4.105 7.641 -8.961 336 HA SER 44 HA SER 44 -3.717 7.209 -11.838 337 1HB SER 44 HB2 SER 44 -5.828 5.845 -10.147 338 2HB SER 44 HB3 SER 44 -5.718 5.759 -11.906 339 HG SER 44 HG SER 44 -3.764 4.849 -10.056 340 H GLY 45 HN GLY 45 -4.706 8.709 -13.023 341 1HA GLY 45 HA1 GLY 45 -6.172 10.356 -13.673 342 2HA GLY 45 HA2 GLY 45 -7.275 9.770 -12.439 343 H ASP 46 HN ASP 46 -6.245 10.286 -10.102 344 HA ASP 46 HA ASP 46 -4.942 12.844 -9.939 345 1HB ASP 46 HB2 ASP 46 -7.836 12.592 -9.083 346 2HB ASP 46 HB3 ASP 46 -6.794 13.969 -8.739 347 H VAL 47 HN VAL 47 -6.838 10.363 -8.271 348 HA VAL 47 HA VAL 47 -5.877 10.915 -5.669 349 HB VAL 47 HB VAL 47 -6.884 8.267 -6.724 350 1HG1 VAL 47 HG11 VAL 47 -5.797 8.891 -4.262 351 2HG1 VAL 47 HG12 VAL 47 -7.536 8.985 -3.985 352 3HG1 VAL 47 HG13 VAL 47 -6.824 7.506 -4.629 353 1HG2 VAL 47 HG21 VAL 47 -9.009 9.001 -6.660 354 2HG2 VAL 47 HG22 VAL 47 -8.727 10.005 -5.239 355 3HG2 VAL 47 HG23 VAL 47 -8.277 10.596 -6.837 356 H GLU 48 HN GLU 48 -4.063 10.290 -4.626 357 HA GLU 48 HA GLU 48 -2.221 8.499 -6.073 358 1HB GLU 48 HB2 GLU 48 -1.405 10.597 -4.066 359 2HB GLU 48 HB3 GLU 48 -0.373 9.708 -5.179 360 1HG GLU 48 HG2 GLU 48 -1.405 10.863 -7.065 361 2HG GLU 48 HG3 GLU 48 -2.443 11.752 -5.953 362 H LEU 49 HN LEU 49 -1.418 6.752 -5.038 363 HA LEU 49 HA LEU 49 -1.788 6.528 -2.139 364 1HB LEU 49 HB2 LEU 49 -2.690 4.483 -4.164 365 2HB LEU 49 HB3 LEU 49 -2.552 4.164 -2.447 366 HG LEU 49 HG LEU 49 -4.851 4.560 -2.965 367 1HD1 LEU 49 HD11 LEU 49 -4.156 5.418 -0.837 368 2HD1 LEU 49 HD12 LEU 49 -3.612 6.926 -1.573 369 3HD1 LEU 49 HD13 LEU 49 -5.330 6.528 -1.545 370 1HD2 LEU 49 HD21 LEU 49 -5.580 5.992 -4.498 371 2HD2 LEU 49 HD22 LEU 49 -4.714 7.338 -3.757 372 3HD2 LEU 49 HD23 LEU 49 -3.889 6.285 -4.907 373 H LYS 50 HN LYS 50 -0.186 5.492 -1.093 374 HA LYS 50 HA LYS 50 1.504 3.539 -2.146 375 1HB LYS 50 HB2 LYS 50 3.598 4.791 -2.412 376 2HB LYS 50 HB3 LYS 50 2.385 5.294 -3.580 377 1HG LYS 50 HG2 LYS 50 1.924 7.287 -2.307 378 2HG LYS 50 HG3 LYS 50 3.026 6.760 -1.033 379 1HD LYS 50 HD2 LYS 50 4.908 6.914 -2.526 380 2HD LYS 50 HD3 LYS 50 3.843 7.281 -3.884 381 1HE LYS 50 HE2 LYS 50 3.178 9.366 -2.815 382 2HE LYS 50 HE3 LYS 50 4.197 8.993 -1.427 383 1HZ LYS 50 HZ1 LYS 50 5.603 10.313 -2.600 384 2HZ LYS 50 HZ2 LYS 50 4.956 9.889 -4.104 385 3HZ LYS 50 HZ3 LYS 50 6.010 8.832 -3.310 386 H ALA 51 HN ALA 51 3.238 2.957 -0.697 387 HA ALA 51 HA ALA 51 2.537 2.839 1.941 388 1HB ALA 51 HB1 ALA 51 5.165 2.572 2.232 389 2HB ALA 51 HB2 ALA 51 4.166 1.333 1.473 390 3HB ALA 51 HB3 ALA 51 5.079 2.463 0.473 391 H SER 52 HN SER 52 4.498 5.344 0.392 392 HA SER 52 HA SER 52 5.376 6.607 2.739 393 1HB SER 52 HB2 SER 52 6.387 7.110 0.596 394 2HB SER 52 HB3 SER 52 4.866 7.767 -0.007 395 HG SER 52 HG SER 52 5.550 9.589 0.769 396 H ASP 53 HN ASP 53 2.574 7.386 0.667 397 HA ASP 53 HA ASP 53 1.619 9.428 2.405 398 1HB ASP 53 HB2 ASP 53 0.239 7.939 0.167 399 2HB ASP 53 HB3 ASP 53 -0.414 9.361 0.976 400 H ALA 54 HN ALA 54 0.366 6.159 1.692 401 HA ALA 54 HA ALA 54 -1.432 6.352 3.969 402 1HB ALA 54 HB1 ALA 54 -2.383 5.475 1.964 403 2HB ALA 54 HB2 ALA 54 -1.118 4.253 1.837 404 3HB ALA 54 HB3 ALA 54 -2.294 4.173 3.150 405 H GLY 55 HN GLY 55 1.269 4.282 2.914 406 1HA GLY 55 HA1 GLY 55 1.302 2.358 4.845 407 2HA GLY 55 HA2 GLY 55 2.769 3.064 4.192 408 H GLN 56 HN GLN 56 2.057 5.734 5.304 409 HA GLN 56 HA GLN 56 3.541 5.820 7.585 410 1HB GLN 56 HB2 GLN 56 2.264 7.881 8.182 411 2HB GLN 56 HB3 GLN 56 2.819 7.852 6.512 412 1HG GLN 56 HG2 GLN 56 0.576 7.149 5.804 413 2HG GLN 56 HG3 GLN 56 0.037 7.233 7.480 414 1HE2 GLN 56 HE21 GLN 56 -1.044 9.000 7.929 415 2HE2 GLN 56 HE22 GLN 56 -0.801 10.559 7.224 416 H VAL 57 HN VAL 57 0.217 4.847 7.257 417 HA VAL 57 HA VAL 57 -0.383 4.840 10.055 418 HB VAL 57 HB VAL 57 -2.455 3.687 9.379 419 1HG1 VAL 57 HG11 VAL 57 -2.929 5.570 7.474 420 2HG1 VAL 57 HG12 VAL 57 -2.958 5.873 9.211 421 3HG1 VAL 57 HG13 VAL 57 -1.505 6.238 8.276 422 1HG2 VAL 57 HG21 VAL 57 -0.898 2.934 7.137 423 2HG2 VAL 57 HG22 VAL 57 -2.563 2.488 7.510 424 3HG2 VAL 57 HG23 VAL 57 -2.230 3.926 6.546 425 H LEU 58 HN LEU 58 1.977 3.228 9.183 426 HA LEU 58 HA LEU 58 1.147 0.702 10.424 427 1HB LEU 58 HB2 LEU 58 3.128 0.846 8.154 428 2HB LEU 58 HB3 LEU 58 2.450 -0.595 8.895 429 HG LEU 58 HG LEU 58 0.942 1.401 7.200 430 1HD1 LEU 58 HD11 LEU 58 0.748 -0.984 5.940 431 2HD1 LEU 58 HD12 LEU 58 1.949 0.250 5.560 432 3HD1 LEU 58 HD13 LEU 58 2.372 -1.096 6.618 433 1HD2 LEU 58 HD21 LEU 58 -0.874 0.629 8.230 434 2HD2 LEU 58 HD22 LEU 58 -0.559 -0.915 7.440 435 3HD2 LEU 58 HD23 LEU 58 0.041 -0.621 9.072 436 H THR 59 HN THR 59 2.041 1.311 12.381 437 HA THR 59 HA THR 59 4.489 2.538 12.826 438 HB THR 59 HB THR 59 4.406 1.586 15.099 439 HG1 THR 59 HG1 THR 59 3.507 -0.484 14.402 440 1HG2 THR 59 HG21 THR 59 1.777 2.245 15.354 441 2HG2 THR 59 HG22 THR 59 2.172 2.992 13.806 442 3HG2 THR 59 HG23 THR 59 3.094 3.413 15.250 443 H ALA 60 HN ALA 60 6.497 1.701 13.622 444 HA ALA 60 HA ALA 60 7.771 -0.125 12.032 445 1HB ALA 60 HB1 ALA 60 8.599 1.509 13.970 446 2HB ALA 60 HB2 ALA 60 8.693 -0.020 14.843 447 3HB ALA 60 HB3 ALA 60 9.594 0.195 13.343 448 H ASP 61 HN ASP 61 5.979 -0.757 15.001 449 HA ASP 61 HA ASP 61 6.737 -3.351 15.557 450 1HB ASP 61 HB2 ASP 61 5.211 -2.056 16.982 451 2HB ASP 61 HB3 ASP 61 3.954 -2.170 15.753 452 H ASP 62 HN ASP 62 4.728 -2.134 12.999 453 HA ASP 62 HA ASP 62 3.608 -4.630 12.196 454 1HB ASP 62 HB2 ASP 62 3.936 -2.064 10.629 455 2HB ASP 62 HB3 ASP 62 2.900 -3.414 10.187 456 H PHE 63 HN PHE 63 6.748 -3.780 12.185 457 HA PHE 63 HA PHE 63 7.916 -3.985 9.795 458 1HB PHE 63 HB2 PHE 63 8.848 -4.220 12.301 459 2HB PHE 63 HB3 PHE 63 9.015 -5.893 11.784 460 HD1 PHE 63 HD1 PHE 63 9.743 -2.466 10.511 461 HD2 PHE 63 HD2 PHE 63 11.004 -6.517 10.845 462 HE1 PHE 63 HE1 PHE 63 11.847 -1.902 9.369 463 HE2 PHE 63 HE2 PHE 63 13.111 -5.959 9.706 464 HZ PHE 63 HZ PHE 63 13.535 -3.647 8.965 465 HA PRO 64 HA PRO 64 7.247 -8.670 9.328 466 1HB PRO 64 HB2 PRO 64 6.071 -10.119 11.226 467 2HB PRO 64 HB3 PRO 64 7.749 -9.591 11.404 468 1HG PRO 64 HG2 PRO 64 5.273 -8.495 12.662 469 2HG PRO 64 HG3 PRO 64 6.890 -8.697 13.357 470 1HD PRO 64 HD2 PRO 64 5.846 -6.327 12.316 471 2HD PRO 64 HD3 PRO 64 7.558 -6.655 12.624 472 H PHE 65 HN PHE 65 5.682 -7.447 7.907 473 HA PHE 65 HA PHE 65 2.897 -7.521 8.576 474 1HB PHE 65 HB2 PHE 65 4.546 -6.408 6.484 475 2HB PHE 65 HB3 PHE 65 3.142 -7.224 5.799 476 HD1 PHE 65 HD1 PHE 65 4.298 -4.367 7.758 477 HD2 PHE 65 HD2 PHE 65 0.906 -6.491 6.344 478 HE1 PHE 65 HE1 PHE 65 2.867 -2.442 8.299 479 HE2 PHE 65 HE2 PHE 65 -0.534 -4.580 6.870 480 HZ PHE 65 HZ PHE 65 0.445 -2.545 7.852 481 H LYS 66 HN LYS 66 1.307 -8.846 7.819 482 HA LYS 66 HA LYS 66 1.981 -11.536 7.244 483 1HB LYS 66 HB2 LYS 66 -0.690 -10.187 6.892 484 2HB LYS 66 HB3 LYS 66 -0.403 -11.910 7.031 485 1HG LYS 66 HG2 LYS 66 0.075 -9.860 9.182 486 2HG LYS 66 HG3 LYS 66 -1.262 -11.008 9.111 487 1HD LYS 66 HD2 LYS 66 1.666 -11.708 9.329 488 2HD LYS 66 HD3 LYS 66 0.485 -11.776 10.638 489 1HE LYS 66 HE2 LYS 66 0.422 -13.405 8.098 490 2HE LYS 66 HE3 LYS 66 0.887 -13.991 9.694 491 1HZ LYS 66 HZ1 LYS 66 -1.455 -13.146 10.349 492 2HZ LYS 66 HZ2 LYS 66 -1.299 -14.633 9.559 493 3HZ LYS 66 HZ3 LYS 66 -1.780 -13.263 8.693 494 H SER 67 HN SER 67 3.384 -10.919 5.389 495 HA SER 67 HA SER 67 3.846 -10.946 3.187 496 1HB SER 67 HB2 SER 67 1.086 -12.144 2.969 497 2HB SER 67 HB3 SER 67 2.330 -12.199 1.720 498 HG SER 67 HG SER 67 2.617 -13.271 4.331 499 H ALA 68 HN ALA 68 3.403 -9.999 1.109 500 HA ALA 68 HA ALA 68 2.642 -7.359 1.214 501 1HB ALA 68 HB1 ALA 68 2.296 -7.849 -1.398 502 2HB ALA 68 HB2 ALA 68 3.880 -7.698 -0.635 503 3HB ALA 68 HB3 ALA 68 3.191 -9.295 -0.930 504 H GLU 69 HN GLU 69 0.626 -10.144 0.744 505 HA GLU 69 HA GLU 69 -1.581 -8.908 -0.440 506 1HB GLU 69 HB2 GLU 69 -2.900 -10.775 0.529 507 2HB GLU 69 HB3 GLU 69 -1.459 -11.306 -0.326 508 1HG GLU 69 HG2 GLU 69 -0.313 -11.492 1.843 509 2HG GLU 69 HG3 GLU 69 -1.827 -11.065 2.633 510 H GLU 70 HN GLU 70 -0.840 -9.354 3.068 511 HA GLU 70 HA GLU 70 -3.225 -7.990 3.806 512 1HB GLU 70 HB2 GLU 70 -2.775 -8.581 5.926 513 2HB GLU 70 HB3 GLU 70 -1.557 -9.610 5.192 514 1HG GLU 70 HG2 GLU 70 0.178 -8.262 5.851 515 2HG GLU 70 HG3 GLU 70 -0.834 -6.820 5.935 516 H VAL 71 HN VAL 71 0.090 -7.025 3.331 517 HA VAL 71 HA VAL 71 -0.053 -4.451 4.437 518 HB VAL 71 HB VAL 71 1.577 -5.314 2.061 519 1HG1 VAL 71 HG11 VAL 71 1.366 -2.831 2.612 520 2HG1 VAL 71 HG12 VAL 71 2.268 -3.203 4.081 521 3HG1 VAL 71 HG13 VAL 71 2.995 -3.494 2.501 522 1HG2 VAL 71 HG21 VAL 71 2.827 -5.229 4.698 523 2HG2 VAL 71 HG22 VAL 71 1.586 -6.466 4.530 524 3HG2 VAL 71 HG23 VAL 71 2.955 -6.438 3.431 525 H ALA 72 HN ALA 72 -0.992 -5.689 1.285 526 HA ALA 72 HA ALA 72 -1.429 -3.177 0.066 527 1HB ALA 72 HB1 ALA 72 -1.356 -4.678 -1.599 528 2HB ALA 72 HB2 ALA 72 -1.956 -5.988 -0.582 529 3HB ALA 72 HB3 ALA 72 -3.086 -4.840 -1.300 530 H ASP 73 HN ASP 73 -3.781 -5.566 1.322 531 HA ASP 73 HA ASP 73 -6.030 -3.892 1.058 532 1HB ASP 73 HB2 ASP 73 -5.605 -6.242 2.913 533 2HB ASP 73 HB3 ASP 73 -7.163 -5.513 2.535 534 H THR 74 HN THR 74 -3.898 -4.517 3.795 535 HA THR 74 HA THR 74 -5.253 -3.212 5.818 536 HB THR 74 HB THR 74 -2.278 -3.455 5.347 537 HG1 THR 74 HG1 THR 74 -4.149 -4.950 6.889 538 1HG2 THR 74 HG21 THR 74 -2.711 -1.619 6.904 539 2HG2 THR 74 HG22 THR 74 -1.990 -3.001 7.728 540 3HG2 THR 74 HG23 THR 74 -3.718 -2.685 7.887 541 H ILE 75 HN ILE 75 -2.771 -1.831 3.664 542 HA ILE 75 HA ILE 75 -2.869 0.765 4.693 543 HB ILE 75 HB ILE 75 -2.092 -0.173 1.929 544 1HG1 ILE 75 HG12 ILE 75 -0.428 0.522 4.360 545 2HG1 ILE 75 HG13 ILE 75 -0.799 -1.113 3.830 546 1HG2 ILE 75 HG21 ILE 75 -0.963 1.937 1.644 547 2HG2 ILE 75 HG22 ILE 75 -2.663 2.243 1.997 548 3HG2 ILE 75 HG23 ILE 75 -1.447 2.456 3.257 549 1HD1 ILE 75 HD11 ILE 75 0.663 -1.024 2.088 550 2HD1 ILE 75 HD12 ILE 75 0.510 0.724 1.903 551 3HD1 ILE 75 HD13 ILE 75 1.470 0.058 3.223 552 H VAL 76 HN VAL 76 -4.575 -0.576 1.834 553 HA VAL 76 HA VAL 76 -5.917 1.787 1.157 554 HB VAL 76 HB VAL 76 -7.703 0.229 0.174 555 1HG1 VAL 76 HG11 VAL 76 -6.208 1.120 -1.349 556 2HG1 VAL 76 HG12 VAL 76 -4.826 0.310 -0.616 557 3HG1 VAL 76 HG13 VAL 76 -5.985 -0.616 -1.567 558 1HG2 VAL 76 HG21 VAL 76 -6.654 -2.118 -0.184 559 2HG2 VAL 76 HG22 VAL 76 -5.772 -1.757 1.296 560 3HG2 VAL 76 HG23 VAL 76 -7.534 -1.779 1.307 561 H ASN 77 HN ASN 77 -6.798 -0.762 3.447 562 HA ASN 77 HA ASN 77 -9.408 -0.031 4.005 563 1HB ASN 77 HB2 ASN 77 -7.299 -1.093 5.897 564 2HB ASN 77 HB3 ASN 77 -9.016 -1.013 6.269 565 1HD2 ASN 77 HD21 ASN 77 -8.954 -1.669 3.068 566 2HD2 ASN 77 HD22 ASN 77 -8.971 -3.393 3.121 567 H LYS 78 HN LYS 78 -6.486 1.056 5.749 568 HA LYS 78 HA LYS 78 -7.936 3.047 7.216 569 1HB LYS 78 HB2 LYS 78 -4.960 2.700 6.825 570 2HB LYS 78 HB3 LYS 78 -5.723 3.736 8.026 571 1HG LYS 78 HG2 LYS 78 -6.773 1.714 9.019 572 2HG LYS 78 HG3 LYS 78 -5.843 0.731 7.887 573 1HD LYS 78 HD2 LYS 78 -4.722 0.811 10.036 574 2HD LYS 78 HD3 LYS 78 -3.763 1.660 8.822 575 1HE LYS 78 HE2 LYS 78 -4.584 3.796 9.631 576 2HE LYS 78 HE3 LYS 78 -5.626 2.979 10.794 577 1HZ LYS 78 HZ1 LYS 78 -3.912 2.569 12.173 578 2HZ LYS 78 HZ2 LYS 78 -3.207 3.889 11.388 579 3HZ LYS 78 HZ3 LYS 78 -2.800 2.315 10.924 580 H ALA 79 HN ALA 79 -5.856 3.013 4.392 581 HA ALA 79 HA ALA 79 -5.650 5.814 4.058 582 1HB ALA 79 HB1 ALA 79 -5.392 3.846 1.817 583 2HB ALA 79 HB2 ALA 79 -4.534 5.367 2.066 584 3HB ALA 79 HB3 ALA 79 -4.176 3.975 3.086 585 H GLY 80 HN GLY 80 -8.472 4.981 4.360 586 1HA GLY 80 HA1 GLY 80 -10.375 6.054 3.506 587 2HA GLY 80 HA2 GLY 80 -9.464 6.436 2.050 588 H LEU 81 HN LEU 81 -8.682 4.139 1.042 589 HA LEU 81 HA LEU 81 -11.056 3.096 -0.087 590 1HB LEU 81 HB2 LEU 81 -8.279 1.941 -0.251 591 2HB LEU 81 HB3 LEU 81 -9.596 1.705 -1.388 592 HG LEU 81 HG LEU 81 -8.376 4.413 -0.859 593 1HD1 LEU 81 HD11 LEU 81 -7.219 3.985 -3.085 594 2HD1 LEU 81 HD12 LEU 81 -6.557 3.148 -1.680 595 3HD1 LEU 81 HD13 LEU 81 -7.573 2.276 -2.829 596 1HD2 LEU 81 HD21 LEU 81 -9.731 5.187 -2.476 597 2HD2 LEU 81 HD22 LEU 81 -9.570 3.730 -3.457 598 3HD2 LEU 81 HD23 LEU 81 -10.699 3.759 -2.102 Start of MODEL 23 1 1H GLY -3 HT1 GLY -3 -24.948 11.310 0.628 2 2H GLY -3 HT2 GLY -3 -26.600 10.991 0.461 3 3H GLY -3 HT3 GLY -3 -25.580 10.888 -0.883 4 1HA GLY -3 HA2 GLY -3 -25.592 9.103 1.488 5 2HA GLY -3 HA1 GLY -3 -26.084 8.680 -0.146 6 H SER -2 HN SER -2 -24.051 9.833 -1.625 7 HA SER -2 HA SER -2 -22.031 9.264 -2.501 8 1HB SER -2 HB2 SER -2 -20.110 9.442 -0.968 9 2HB SER -2 HB3 SER -2 -21.261 10.752 -0.713 10 HG SER -2 HG SER -2 -21.421 10.103 1.266 11 H HIS -1 HN HIS -1 -23.723 7.081 -2.115 12 HA HIS -1 HA HIS -1 -22.455 4.919 -0.802 13 1HB HIS -1 HB2 HIS -1 -24.035 3.498 -2.103 14 2HB HIS -1 HB3 HIS -1 -24.819 4.814 -1.239 15 HD1 HIS -1 HD1 HIS -1 -26.519 3.800 -3.347 16 HD2 HIS -1 HD2 HIS -1 -23.535 6.561 -4.199 17 HE1 HIS -1 HE1 HIS -1 -27.198 4.878 -5.514 18 HE2 HIS -1 HE2 HIS -1 -25.331 6.480 -6.055 19 H MET 1 HN MET 1 -21.742 6.494 -3.722 20 HA MET 1 HA MET 1 -20.827 4.429 -5.351 21 1HB MET 1 HB2 MET 1 -19.725 7.232 -5.084 22 2HB MET 1 HB3 MET 1 -19.413 6.140 -6.425 23 1HG MET 1 HG2 MET 1 -21.786 6.149 -6.991 24 2HG MET 1 HG3 MET 1 -22.104 7.236 -5.641 25 1HE MET 1 HE1 MET 1 -23.228 9.271 -7.374 26 2HE MET 1 HE2 MET 1 -22.576 9.268 -9.012 27 3HE MET 1 HE3 MET 1 -23.174 7.770 -8.298 28 H LYS 2 HN LYS 2 -19.005 3.240 -5.456 29 HA LYS 2 HA LYS 2 -16.920 3.750 -3.436 30 1HB LYS 2 HB2 LYS 2 -18.228 1.793 -2.796 31 2HB LYS 2 HB3 LYS 2 -17.978 1.080 -4.383 32 1HG LYS 2 HG2 LYS 2 -16.528 0.062 -2.721 33 2HG LYS 2 HG3 LYS 2 -15.587 0.914 -3.946 34 1HD LYS 2 HD2 LYS 2 -15.339 2.818 -2.429 35 2HD LYS 2 HD3 LYS 2 -16.286 1.968 -1.206 36 1HE LYS 2 HE2 LYS 2 -13.645 1.062 -2.351 37 2HE LYS 2 HE3 LYS 2 -13.887 1.790 -0.764 38 1HZ LYS 2 HZ1 LYS 2 -14.856 -0.844 -1.714 39 2HZ LYS 2 HZ2 LYS 2 -15.416 -0.121 -0.292 40 3HZ LYS 2 HZ3 LYS 2 -13.782 -0.530 -0.445 41 H MET 3 HN MET 3 -14.878 3.855 -4.168 42 HA MET 3 HA MET 3 -14.353 3.998 -6.928 43 1HB MET 3 HB2 MET 3 -12.422 3.702 -4.622 44 2HB MET 3 HB3 MET 3 -11.977 4.155 -6.260 45 1HG MET 3 HG2 MET 3 -13.341 6.172 -6.074 46 2HG MET 3 HG3 MET 3 -13.780 5.719 -4.428 47 1HE MET 3 HE1 MET 3 -11.937 8.460 -3.280 48 2HE MET 3 HE2 MET 3 -11.707 8.830 -4.988 49 3HE MET 3 HE3 MET 3 -13.237 8.153 -4.431 50 H GLY 4 HN GLY 4 -13.948 2.477 -8.376 51 1HA GLY 4 HA1 GLY 4 -13.835 -0.286 -7.620 52 2HA GLY 4 HA2 GLY 4 -13.719 0.354 -9.252 53 H VAL 5 HN VAL 5 -11.503 2.112 -8.676 54 HA VAL 5 HA VAL 5 -9.389 0.343 -9.220 55 HB VAL 5 HB VAL 5 -9.591 2.847 -9.793 56 1HG1 VAL 5 HG11 VAL 5 -9.653 3.453 -7.311 57 2HG1 VAL 5 HG12 VAL 5 -7.912 3.138 -7.324 58 3HG1 VAL 5 HG13 VAL 5 -8.592 4.413 -8.342 59 1HG2 VAL 5 HG21 VAL 5 -7.121 3.080 -9.939 60 2HG2 VAL 5 HG22 VAL 5 -6.991 1.570 -9.046 61 3HG2 VAL 5 HG23 VAL 5 -7.770 1.594 -10.628 62 H LYS 6 HN LYS 6 -10.818 0.908 -6.234 63 HA LYS 6 HA LYS 6 -8.802 1.293 -4.436 64 1HB LYS 6 HB2 LYS 6 -10.989 0.969 -3.570 65 2HB LYS 6 HB3 LYS 6 -11.157 -0.594 -4.356 66 1HG LYS 6 HG2 LYS 6 -9.416 -1.487 -2.825 67 2HG LYS 6 HG3 LYS 6 -9.420 0.066 -1.989 68 1HD LYS 6 HD2 LYS 6 -11.715 -0.215 -1.350 69 2HD LYS 6 HD3 LYS 6 -11.861 -1.664 -2.347 70 1HE LYS 6 HE2 LYS 6 -10.051 -1.365 0.048 71 2HE LYS 6 HE3 LYS 6 -11.608 -2.193 0.044 72 1HZ LYS 6 HZ1 LYS 6 -10.686 -3.702 -1.666 73 2HZ LYS 6 HZ2 LYS 6 -9.879 -3.802 -0.182 74 3HZ LYS 6 HZ3 LYS 6 -9.175 -2.963 -1.472 75 H GLU 7 HN GLU 7 -9.733 -1.801 -5.894 76 HA GLU 7 HA GLU 7 -7.396 -3.140 -4.873 77 1HB GLU 7 HB2 GLU 7 -9.454 -4.026 -6.915 78 2HB GLU 7 HB3 GLU 7 -8.201 -5.053 -6.235 79 1HG GLU 7 HG2 GLU 7 -10.401 -3.721 -4.672 80 2HG GLU 7 HG3 GLU 7 -10.384 -5.408 -5.183 81 H ASP 8 HN ASP 8 -8.272 -1.432 -7.804 82 HA ASP 8 HA ASP 8 -6.325 -2.536 -9.511 83 1HB ASP 8 HB2 ASP 8 -7.865 -0.008 -9.591 84 2HB ASP 8 HB3 ASP 8 -6.684 -0.390 -10.831 85 H ILE 9 HN ILE 9 -6.283 0.516 -7.703 86 HA ILE 9 HA ILE 9 -3.629 1.229 -8.360 87 HB ILE 9 HB ILE 9 -5.576 2.081 -6.233 88 1HG1 ILE 9 HG12 ILE 9 -4.082 3.595 -8.378 89 2HG1 ILE 9 HG13 ILE 9 -5.735 3.011 -8.504 90 1HG2 ILE 9 HG21 ILE 9 -3.412 2.004 -5.088 91 2HG2 ILE 9 HG22 ILE 9 -2.711 3.014 -6.351 92 3HG2 ILE 9 HG23 ILE 9 -3.979 3.658 -5.308 93 1HD1 ILE 9 HD11 ILE 9 -5.254 4.673 -6.158 94 2HD1 ILE 9 HD12 ILE 9 -4.995 5.500 -7.694 95 3HD1 ILE 9 HD13 ILE 9 -6.549 4.738 -7.353 96 H ARG 10 HN ARG 10 -5.149 -0.507 -5.686 97 HA ARG 10 HA ARG 10 -2.811 -0.981 -4.176 98 1HB ARG 10 HB2 ARG 10 -5.421 -1.468 -3.746 99 2HB ARG 10 HB3 ARG 10 -4.942 -3.069 -4.291 100 1HG ARG 10 HG2 ARG 10 -4.680 -3.243 -2.033 101 2HG ARG 10 HG3 ARG 10 -3.046 -2.793 -2.532 102 1HD ARG 10 HD2 ARG 10 -5.082 -1.298 -1.023 103 2HD ARG 10 HD3 ARG 10 -3.343 -1.337 -0.813 104 HE ARG 10 HE ARG 10 -4.003 0.030 -3.201 105 1HH1 ARG 10 HH12 ARG 10 -4.027 0.415 0.252 106 2HH1 ARG 10 HH11 ARG 10 -3.999 2.144 0.185 107 1HH2 ARG 10 HH22 ARG 10 -3.958 2.305 -3.293 108 2HH2 ARG 10 HH21 ARG 10 -3.952 3.211 -1.819 109 H GLY 11 HN GLY 11 -4.097 -2.321 -7.097 110 1HA GLY 11 HA1 GLY 11 -2.652 -4.769 -7.142 111 2HA GLY 11 HA2 GLY 11 -3.255 -3.903 -8.557 112 H GLN 12 HN GLN 12 -1.991 -1.499 -8.207 113 HA GLN 12 HA GLN 12 0.563 -1.967 -9.331 114 1HB GLN 12 HB2 GLN 12 -0.587 0.547 -8.085 115 2HB GLN 12 HB3 GLN 12 0.852 0.480 -9.092 116 1HG GLN 12 HG2 GLN 12 -0.511 -0.294 -10.971 117 2HG GLN 12 HG3 GLN 12 -1.946 -0.204 -9.953 118 1HE2 GLN 12 HE21 GLN 12 -0.292 1.359 -12.282 119 2HE2 GLN 12 HE22 GLN 12 -0.802 2.981 -11.980 120 H ILE 13 HN ILE 13 -0.640 -1.516 -6.107 121 HA ILE 13 HA ILE 13 1.860 -0.929 -4.860 122 HB ILE 13 HB ILE 13 -0.742 -1.894 -3.673 123 1HG1 ILE 13 HG12 ILE 13 0.456 0.879 -3.861 124 2HG1 ILE 13 HG13 ILE 13 -0.908 0.283 -4.801 125 1HG2 ILE 13 HG21 ILE 13 0.222 -2.019 -1.678 126 2HG2 ILE 13 HG22 ILE 13 1.786 -1.816 -2.470 127 3HG2 ILE 13 HG23 ILE 13 0.917 -0.407 -1.861 128 1HD1 ILE 13 HD11 ILE 13 -0.814 1.325 -2.090 129 2HD1 ILE 13 HD12 ILE 13 -2.166 1.195 -3.216 130 3HD1 ILE 13 HD13 ILE 13 -1.706 -0.190 -2.227 131 H ILE 14 HN ILE 14 -0.142 -3.864 -5.148 132 HA ILE 14 HA ILE 14 1.440 -5.556 -3.595 133 HB ILE 14 HB ILE 14 -0.430 -6.062 -5.888 134 1HG1 ILE 14 HG12 ILE 14 -1.415 -5.489 -3.738 135 2HG1 ILE 14 HG13 ILE 14 -1.741 -7.180 -4.104 136 1HG2 ILE 14 HG21 ILE 14 1.472 -7.989 -4.649 137 2HG2 ILE 14 HG22 ILE 14 -0.153 -8.550 -5.037 138 3HG2 ILE 14 HG23 ILE 14 0.879 -7.894 -6.307 139 1HD1 ILE 14 HD11 ILE 14 -1.152 -7.281 -1.896 140 2HD1 ILE 14 HD12 ILE 14 0.389 -7.613 -2.685 141 3HD1 ILE 14 HD13 ILE 14 0.056 -6.004 -2.046 142 H GLY 15 HN GLY 15 1.526 -5.085 -7.141 143 1HA GLY 15 HA1 GLY 15 3.781 -6.723 -7.591 144 2HA GLY 15 HA2 GLY 15 3.230 -5.430 -8.653 145 H ALA 16 HN ALA 16 3.399 -3.357 -6.743 146 HA ALA 16 HA ALA 16 6.063 -2.512 -7.076 147 1HB ALA 16 HB1 ALA 16 3.624 -1.497 -5.741 148 2HB ALA 16 HB2 ALA 16 5.160 -0.853 -5.162 149 3HB ALA 16 HB3 ALA 16 4.726 -0.693 -6.864 150 H LEU 17 HN LEU 17 4.444 -4.278 -4.576 151 HA LEU 17 HA LEU 17 6.442 -3.864 -2.555 152 1HB LEU 17 HB2 LEU 17 4.031 -5.654 -2.795 153 2HB LEU 17 HB3 LEU 17 5.121 -5.740 -1.429 154 HG LEU 17 HG LEU 17 3.705 -3.198 -2.213 155 1HD1 LEU 17 HD11 LEU 17 2.727 -5.541 -0.695 156 2HD1 LEU 17 HD12 LEU 17 2.386 -3.949 -0.019 157 3HD1 LEU 17 HD13 LEU 17 1.840 -4.350 -1.646 158 1HD2 LEU 17 HD21 LEU 17 4.466 -3.717 0.574 159 2HD2 LEU 17 HD22 LEU 17 5.819 -3.579 -0.549 160 3HD2 LEU 17 HD23 LEU 17 4.654 -2.264 -0.407 161 H ALA 18 HN ALA 18 5.741 -6.142 -5.064 162 HA ALA 18 HA ALA 18 7.238 -8.347 -4.211 163 1HB ALA 18 HB1 ALA 18 6.790 -9.218 -6.242 164 2HB ALA 18 HB2 ALA 18 5.718 -7.824 -6.381 165 3HB ALA 18 HB3 ALA 18 7.328 -7.773 -7.098 166 H GLY 19 HN GLY 19 9.373 -8.872 -4.252 167 1HA GLY 19 HA1 GLY 19 11.584 -8.622 -5.221 168 2HA GLY 19 HA2 GLY 19 11.224 -6.921 -5.469 169 H ALA 20 HN ALA 20 10.051 -6.566 -2.822 170 HA ALA 20 HA ALA 20 12.208 -5.621 -1.389 171 1HB ALA 20 HB1 ALA 20 9.613 -5.383 -1.045 172 2HB ALA 20 HB2 ALA 20 9.871 -6.679 0.124 173 3HB ALA 20 HB3 ALA 20 10.731 -5.149 0.297 174 H ASP 21 HN ASP 21 12.518 -6.429 1.033 175 HA ASP 21 HA ASP 21 14.050 -8.792 0.934 176 1HB ASP 21 HB2 ASP 21 12.928 -7.139 3.203 177 2HB ASP 21 HB3 ASP 21 13.938 -8.557 3.495 178 H PHE 22 HN PHE 22 12.225 -9.299 3.721 179 HA PHE 22 HA PHE 22 11.058 -11.667 2.716 180 1HB PHE 22 HB2 PHE 22 10.043 -11.944 4.831 181 2HB PHE 22 HB3 PHE 22 11.492 -11.033 5.198 182 HD1 PHE 22 HD1 PHE 22 11.082 -9.621 7.008 183 HD2 PHE 22 HD2 PHE 22 8.101 -10.029 4.010 184 HE1 PHE 22 HE1 PHE 22 9.719 -7.973 8.194 185 HE2 PHE 22 HE2 PHE 22 6.731 -8.346 5.170 186 HZ PHE 22 HZ PHE 22 7.581 -7.310 7.282 187 HA PRO 23 HA PRO 23 7.371 -10.220 0.812 188 1HB PRO 23 HB2 PRO 23 5.218 -11.209 2.148 189 2HB PRO 23 HB3 PRO 23 6.230 -12.189 1.087 190 1HG PRO 23 HG2 PRO 23 6.312 -11.932 4.072 191 2HG PRO 23 HG3 PRO 23 6.389 -13.398 3.071 192 1HD PRO 23 HD2 PRO 23 8.599 -12.294 4.114 193 2HD PRO 23 HD3 PRO 23 8.617 -13.042 2.505 194 H ILE 24 HN ILE 24 8.259 -8.107 1.942 195 HA ILE 24 HA ILE 24 7.247 -6.002 2.252 196 HB ILE 24 HB ILE 24 5.279 -7.441 4.010 197 1HG1 ILE 24 HG12 ILE 24 4.954 -7.955 1.667 198 2HG1 ILE 24 HG13 ILE 24 3.706 -6.820 2.168 199 1HG2 ILE 24 HG21 ILE 24 4.265 -5.454 4.503 200 2HG2 ILE 24 HG22 ILE 24 5.936 -4.920 4.435 201 3HG2 ILE 24 HG23 ILE 24 4.874 -4.663 3.057 202 1HD1 ILE 24 HD11 ILE 24 4.305 -5.669 0.359 203 2HD1 ILE 24 HD12 ILE 24 5.706 -5.166 1.302 204 3HD1 ILE 24 HD13 ILE 24 5.830 -6.536 0.200 205 H ASN 25 HN ASN 25 9.537 -6.341 3.276 206 HA ASN 25 HA ASN 25 9.817 -6.452 6.092 207 1HB ASN 25 HB2 ASN 25 11.499 -5.623 3.802 208 2HB ASN 25 HB3 ASN 25 11.961 -5.013 5.392 209 1HD2 ASN 25 HD21 ASN 25 13.430 -6.165 6.332 210 2HD2 ASN 25 HD22 ASN 25 13.603 -7.884 6.250 211 H SER 26 HN SER 26 7.814 -4.916 6.362 212 HA SER 26 HA SER 26 7.007 -2.907 7.068 213 1HB SER 26 HB2 SER 26 8.467 -1.497 8.354 214 2HB SER 26 HB3 SER 26 8.975 -3.158 8.645 215 HG SER 26 HG SER 26 10.236 -1.150 7.145 216 HA PRO 27 HA PRO 27 6.936 -0.190 3.685 217 1HB PRO 27 HB2 PRO 27 7.267 2.099 5.562 218 2HB PRO 27 HB3 PRO 27 6.041 1.842 4.313 219 1HG PRO 27 HG2 PRO 27 5.453 1.472 6.891 220 2HG PRO 27 HG3 PRO 27 4.797 0.392 5.645 221 1HD PRO 27 HD2 PRO 27 7.003 -0.084 7.593 222 2HD PRO 27 HD3 PRO 27 5.798 -1.216 6.942 223 H GLU 28 HN GLU 28 9.492 0.402 6.034 224 HA GLU 28 HA GLU 28 11.115 2.062 4.511 225 1HB GLU 28 HB2 GLU 28 12.029 -0.207 6.298 226 2HB GLU 28 HB3 GLU 28 12.991 1.183 5.807 227 1HG GLU 28 HG2 GLU 28 11.476 2.668 7.016 228 2HG GLU 28 HG3 GLU 28 10.506 1.278 7.506 229 H GLU 29 HN GLU 29 11.267 -1.490 4.709 230 HA GLU 29 HA GLU 29 13.065 -1.740 2.508 231 1HB GLU 29 HB2 GLU 29 12.840 -3.291 4.447 232 2HB GLU 29 HB3 GLU 29 11.294 -3.795 3.737 233 1HG GLU 29 HG2 GLU 29 13.127 -5.333 3.174 234 2HG GLU 29 HG3 GLU 29 12.430 -4.567 1.748 235 H LEU 30 HN LEU 30 9.684 -2.875 2.923 236 HA LEU 30 HA LEU 30 9.285 -3.783 0.360 237 1HB LEU 30 HB2 LEU 30 6.941 -3.605 0.767 238 2HB LEU 30 HB3 LEU 30 7.709 -4.010 2.289 239 HG LEU 30 HG LEU 30 7.661 -1.440 2.687 240 1HD1 LEU 30 HD11 LEU 30 5.129 -1.211 1.350 241 2HD1 LEU 30 HD12 LEU 30 6.540 -0.155 1.270 242 3HD1 LEU 30 HD13 LEU 30 6.414 -1.543 0.190 243 1HD2 LEU 30 HD21 LEU 30 5.068 -2.950 2.815 244 2HD2 LEU 30 HD22 LEU 30 6.415 -3.225 3.920 245 3HD2 LEU 30 HD23 LEU 30 5.616 -1.656 3.876 246 H MET 31 HN MET 31 8.902 -0.479 1.595 247 HA MET 31 HA MET 31 8.049 0.643 -0.865 248 1HB MET 31 HB2 MET 31 7.952 1.684 1.505 249 2HB MET 31 HB3 MET 31 9.612 2.171 1.197 250 1HG MET 31 HG2 MET 31 8.852 3.392 -0.803 251 2HG MET 31 HG3 MET 31 7.191 2.949 -0.409 252 1HE MET 31 HE1 MET 31 7.659 3.935 3.335 253 2HE MET 31 HE2 MET 31 6.193 4.561 2.582 254 3HE MET 31 HE3 MET 31 6.755 2.936 2.200 255 H ALA 32 HN ALA 32 11.141 -0.211 0.573 256 HA ALA 32 HA ALA 32 12.752 1.270 -1.277 257 1HB ALA 32 HB1 ALA 32 14.603 0.072 -0.385 258 2HB ALA 32 HB2 ALA 32 13.504 0.393 0.956 259 3HB ALA 32 HB3 ALA 32 13.561 -1.212 0.227 260 H ALA 33 HN ALA 33 11.188 -1.845 -1.317 261 HA ALA 33 HA ALA 33 12.661 -3.025 -3.420 262 1HB ALA 33 HB1 ALA 33 11.176 -4.756 -3.280 263 2HB ALA 33 HB2 ALA 33 10.988 -4.023 -1.686 264 3HB ALA 33 HB3 ALA 33 9.803 -3.701 -2.951 265 H LEU 34 HN LEU 34 9.706 -1.091 -3.348 266 HA LEU 34 HA LEU 34 8.480 -1.273 -5.642 267 1HB LEU 34 HB2 LEU 34 9.478 1.211 -4.332 268 2HB LEU 34 HB3 LEU 34 8.647 1.333 -5.869 269 HG LEU 34 HG LEU 34 6.666 0.281 -4.927 270 1HD1 LEU 34 HD11 LEU 34 6.667 0.037 -2.363 271 2HD1 LEU 34 HD12 LEU 34 7.401 -1.237 -3.336 272 3HD1 LEU 34 HD13 LEU 34 8.419 -0.047 -2.530 273 1HD2 LEU 34 HD21 LEU 34 6.556 2.074 -2.864 274 2HD2 LEU 34 HD22 LEU 34 7.805 2.759 -3.899 275 3HD2 LEU 34 HD23 LEU 34 6.202 2.434 -4.553 276 HA PRO 35 HA PRO 35 11.295 -1.410 -9.034 277 1HB PRO 35 HB2 PRO 35 9.520 -0.983 -11.047 278 2HB PRO 35 HB3 PRO 35 9.656 -2.511 -10.170 279 1HG PRO 35 HG2 PRO 35 7.709 -0.268 -9.768 280 2HG PRO 35 HG3 PRO 35 7.405 -2.015 -9.817 281 1HD PRO 35 HD2 PRO 35 7.574 -0.674 -7.497 282 2HD PRO 35 HD3 PRO 35 8.174 -2.337 -7.661 283 H ASN 36 HN ASN 36 10.796 1.374 -7.746 284 HA ASN 36 HA ASN 36 11.563 2.880 -10.164 285 1HB ASN 36 HB2 ASN 36 10.344 4.810 -9.371 286 2HB ASN 36 HB3 ASN 36 9.245 3.432 -9.403 287 1HD2 ASN 36 HD21 ASN 36 10.221 5.993 -7.612 288 2HD2 ASN 36 HD22 ASN 36 9.780 5.454 -6.054 289 H GLY 37 HN GLY 37 12.015 2.315 -6.747 290 1HA GLY 37 HA1 GLY 37 14.188 2.589 -5.765 291 2HA GLY 37 HA2 GLY 37 14.476 3.924 -6.870 292 HA PRO 38 HA PRO 38 13.047 6.663 -3.697 293 1HB PRO 38 HB2 PRO 38 12.036 8.747 -5.024 294 2HB PRO 38 HB3 PRO 38 13.745 8.314 -5.153 295 1HG PRO 38 HG2 PRO 38 11.507 7.799 -7.060 296 2HG PRO 38 HG3 PRO 38 13.184 8.263 -7.396 297 1HD PRO 38 HD2 PRO 38 12.180 5.678 -7.540 298 2HD PRO 38 HD3 PRO 38 13.895 6.093 -7.380 299 H ASP 39 HN ASP 39 11.099 4.587 -4.141 300 HA ASP 39 HA ASP 39 8.988 4.051 -3.581 301 1HB ASP 39 HB2 ASP 39 8.667 6.840 -2.492 302 2HB ASP 39 HB3 ASP 39 7.897 5.358 -1.931 303 H THR 40 HN THR 40 8.066 3.779 -5.559 304 HA THR 40 HA THR 40 7.151 5.906 -7.210 305 HB THR 40 HB THR 40 7.663 3.777 -8.235 306 HG1 THR 40 HG1 THR 40 6.142 4.208 -9.624 307 1HG2 THR 40 HG21 THR 40 6.252 1.797 -7.860 308 2HG2 THR 40 HG22 THR 40 5.382 2.668 -6.597 309 3HG2 THR 40 HG23 THR 40 7.091 2.290 -6.391 310 H THR 41 HN THR 41 5.143 6.757 -7.519 311 HA THR 41 HA THR 41 3.187 6.236 -5.395 312 HB THR 41 HB THR 41 3.254 8.528 -7.370 313 HG1 THR 41 HG1 THR 41 5.019 8.751 -6.020 314 1HG2 THR 41 HG21 THR 41 1.826 9.507 -5.393 315 2HG2 THR 41 HG22 THR 41 1.507 7.805 -5.059 316 3HG2 THR 41 HG23 THR 41 1.074 8.493 -6.624 317 H CYS 42 HN CYS 42 1.436 5.042 -5.850 318 HA CYS 42 HA CYS 42 0.753 4.517 -8.641 319 1HB CYS 42 HB2 CYS 42 -0.360 3.272 -6.113 320 2HB CYS 42 HB3 CYS 42 -0.687 2.737 -7.759 321 HG CYS 42 HG CYS 42 1.973 1.971 -8.252 322 H LYS 43 HN LYS 43 0.243 7.088 -7.981 323 HA LYS 43 HA LYS 43 -2.417 7.500 -7.018 324 1HB LYS 43 HB2 LYS 43 -2.045 9.841 -7.781 325 2HB LYS 43 HB3 LYS 43 -0.796 9.242 -6.699 326 1HG LYS 43 HG2 LYS 43 0.708 8.900 -8.550 327 2HG LYS 43 HG3 LYS 43 -0.554 9.337 -9.701 328 1HD LYS 43 HD2 LYS 43 0.511 11.186 -7.570 329 2HD LYS 43 HD3 LYS 43 1.092 11.156 -9.236 330 1HE LYS 43 HE2 LYS 43 -1.142 11.711 -10.037 331 2HE LYS 43 HE3 LYS 43 -1.751 11.703 -8.384 332 1HZ LYS 43 HZ1 LYS 43 -0.016 13.665 -9.713 333 2HZ LYS 43 HZ2 LYS 43 0.109 13.464 -8.038 334 3HZ LYS 43 HZ3 LYS 43 -1.367 13.920 -8.726 335 H SER 44 HN SER 44 -4.251 7.393 -8.074 336 HA SER 44 HA SER 44 -4.198 7.336 -11.017 337 1HB SER 44 HB2 SER 44 -6.272 6.238 -9.096 338 2HB SER 44 HB3 SER 44 -6.388 6.179 -10.854 339 HG SER 44 HG SER 44 -5.531 4.251 -10.263 340 H GLY 45 HN GLY 45 -4.921 9.135 -11.983 341 1HA GLY 45 HA1 GLY 45 -6.074 11.094 -12.341 342 2HA GLY 45 HA2 GLY 45 -7.298 10.468 -11.242 343 H ASP 46 HN ASP 46 -7.698 11.934 -9.718 344 HA ASP 46 HA ASP 46 -5.699 13.828 -8.877 345 1HB ASP 46 HB2 ASP 46 -8.509 13.342 -7.869 346 2HB ASP 46 HB3 ASP 46 -7.486 14.699 -7.403 347 H VAL 47 HN VAL 47 -7.305 11.013 -7.466 348 HA VAL 47 HA VAL 47 -6.215 11.295 -4.867 349 HB VAL 47 HB VAL 47 -7.162 8.746 -6.179 350 1HG1 VAL 47 HG11 VAL 47 -6.989 7.749 -4.188 351 2HG1 VAL 47 HG12 VAL 47 -5.947 9.100 -3.743 352 3HG1 VAL 47 HG13 VAL 47 -7.661 9.139 -3.335 353 1HG2 VAL 47 HG21 VAL 47 -9.307 9.363 -5.937 354 2HG2 VAL 47 HG22 VAL 47 -9.002 10.177 -4.402 355 3HG2 VAL 47 HG23 VAL 47 -8.663 11.004 -5.922 356 H GLU 48 HN GLU 48 -4.433 10.398 -3.907 357 HA GLU 48 HA GLU 48 -2.554 8.954 -5.657 358 1HB GLU 48 HB2 GLU 48 -1.795 10.968 -3.533 359 2HB GLU 48 HB3 GLU 48 -0.701 10.127 -4.624 360 1HG GLU 48 HG2 GLU 48 -1.683 11.285 -6.522 361 2HG GLU 48 HG3 GLU 48 -2.809 12.110 -5.447 362 H LEU 49 HN LEU 49 -1.669 7.131 -4.831 363 HA LEU 49 HA LEU 49 -1.851 6.650 -1.947 364 1HB LEU 49 HB2 LEU 49 -2.875 4.802 -4.098 365 2HB LEU 49 HB3 LEU 49 -2.558 4.285 -2.455 366 HG LEU 49 HG LEU 49 -4.908 4.669 -2.683 367 1HD1 LEU 49 HD11 LEU 49 -3.936 5.328 -0.559 368 2HD1 LEU 49 HD12 LEU 49 -3.626 6.948 -1.183 369 3HD1 LEU 49 HD13 LEU 49 -5.284 6.384 -0.980 370 1HD2 LEU 49 HD21 LEU 49 -4.161 6.661 -4.483 371 2HD2 LEU 49 HD22 LEU 49 -5.796 6.221 -3.994 372 3HD2 LEU 49 HD23 LEU 49 -4.941 7.512 -3.150 373 H LYS 50 HN LYS 50 -0.194 5.517 -1.095 374 HA LYS 50 HA LYS 50 1.506 3.765 -2.457 375 1HB LYS 50 HB2 LYS 50 3.527 5.117 -2.698 376 2HB LYS 50 HB3 LYS 50 2.222 5.771 -3.679 377 1HG LYS 50 HG2 LYS 50 1.786 7.427 -1.868 378 2HG LYS 50 HG3 LYS 50 3.231 6.827 -1.053 379 1HD LYS 50 HD2 LYS 50 4.597 7.445 -2.963 380 2HD LYS 50 HD3 LYS 50 3.160 7.984 -3.832 381 1HE LYS 50 HE2 LYS 50 2.773 9.703 -2.144 382 2HE LYS 50 HE3 LYS 50 4.194 9.157 -1.253 383 1HZ LYS 50 HZ1 LYS 50 5.588 10.155 -2.691 384 2HZ LYS 50 HZ2 LYS 50 4.249 11.133 -3.021 385 3HZ LYS 50 HZ3 LYS 50 4.623 9.840 -4.045 386 H ALA 51 HN ALA 51 3.211 2.969 -1.126 387 HA ALA 51 HA ALA 51 2.612 2.629 1.516 388 1HB ALA 51 HB1 ALA 51 5.399 2.612 0.371 389 2HB ALA 51 HB2 ALA 51 4.844 1.774 1.822 390 3HB ALA 51 HB3 ALA 51 4.241 1.289 0.238 391 H SER 52 HN SER 52 4.321 5.325 0.084 392 HA SER 52 HA SER 52 5.416 6.325 2.514 393 1HB SER 52 HB2 SER 52 6.374 6.958 0.373 394 2HB SER 52 HB3 SER 52 4.860 7.722 -0.110 395 HG SER 52 HG SER 52 6.877 8.771 1.279 396 H ASP 53 HN ASP 53 2.649 7.458 0.553 397 HA ASP 53 HA ASP 53 1.774 9.306 2.536 398 1HB ASP 53 HB2 ASP 53 0.387 8.186 0.094 399 2HB ASP 53 HB3 ASP 53 -0.262 9.485 1.088 400 H ALA 54 HN ALA 54 0.382 6.236 1.378 401 HA ALA 54 HA ALA 54 -1.564 6.178 3.485 402 1HB ALA 54 HB1 ALA 54 -2.249 4.062 2.532 403 2HB ALA 54 HB2 ALA 54 -2.032 5.265 1.261 404 3HB ALA 54 HB3 ALA 54 -0.805 4.026 1.521 405 H GLY 55 HN GLY 55 1.356 4.263 2.727 406 1HA GLY 55 HA1 GLY 55 1.281 2.425 4.774 407 2HA GLY 55 HA2 GLY 55 2.771 3.106 4.149 408 H GLN 56 HN GLN 56 1.907 5.829 5.014 409 HA GLN 56 HA GLN 56 3.295 6.260 7.289 410 1HB GLN 56 HB2 GLN 56 2.083 7.976 5.888 411 2HB GLN 56 HB3 GLN 56 0.619 7.548 6.741 412 1HG GLN 56 HG2 GLN 56 1.616 9.562 7.653 413 2HG GLN 56 HG3 GLN 56 1.582 8.258 8.839 414 1HE2 GLN 56 HE21 GLN 56 3.344 8.151 10.014 415 2HE2 GLN 56 HE22 GLN 56 4.945 8.547 9.502 416 H VAL 57 HN VAL 57 0.045 5.060 7.024 417 HA VAL 57 HA VAL 57 -0.539 5.145 9.816 418 HB VAL 57 HB VAL 57 -2.648 4.173 9.204 419 1HG1 VAL 57 HG11 VAL 57 -1.470 6.336 7.519 420 2HG1 VAL 57 HG12 VAL 57 -3.070 5.720 7.080 421 3HG1 VAL 57 HG13 VAL 57 -2.799 6.398 8.686 422 1HG2 VAL 57 HG21 VAL 57 -1.124 3.254 6.839 423 2HG2 VAL 57 HG22 VAL 57 -2.431 2.465 7.722 424 3HG2 VAL 57 HG23 VAL 57 -2.796 3.739 6.558 425 H LEU 58 HN LEU 58 1.818 3.496 9.008 426 HA LEU 58 HA LEU 58 0.949 0.997 10.289 427 1HB LEU 58 HB2 LEU 58 3.067 1.132 8.142 428 2HB LEU 58 HB3 LEU 58 2.376 -0.307 8.873 429 HG LEU 58 HG LEU 58 0.868 1.625 7.106 430 1HD1 LEU 58 HD11 LEU 58 0.898 -0.660 5.723 431 2HD1 LEU 58 HD12 LEU 58 2.116 0.599 5.526 432 3HD1 LEU 58 HD13 LEU 58 2.454 -0.801 6.542 433 1HD2 LEU 58 HD21 LEU 58 0.087 -0.720 8.726 434 2HD2 LEU 58 HD22 LEU 58 -0.847 0.699 8.256 435 3HD2 LEU 58 HD23 LEU 58 -0.598 -0.612 7.104 436 H THR 59 HN THR 59 1.835 1.053 12.244 437 HA THR 59 HA THR 59 4.162 2.546 12.896 438 HB THR 59 HB THR 59 3.975 1.520 15.126 439 HG1 THR 59 HG1 THR 59 2.081 0.094 15.395 440 1HG2 THR 59 HG21 THR 59 2.624 3.378 15.053 441 2HG2 THR 59 HG22 THR 59 1.428 2.134 15.419 442 3HG2 THR 59 HG23 THR 59 1.609 2.723 13.767 443 H ALA 60 HN ALA 60 6.137 1.722 13.821 444 HA ALA 60 HA ALA 60 7.563 -0.012 12.243 445 1HB ALA 60 HB1 ALA 60 8.998 1.117 13.576 446 2HB ALA 60 HB2 ALA 60 7.911 1.079 14.964 447 3HB ALA 60 HB3 ALA 60 8.881 -0.338 14.563 448 H ASP 61 HN ASP 61 5.588 -0.761 15.061 449 HA ASP 61 HA ASP 61 6.324 -3.377 15.563 450 1HB ASP 61 HB2 ASP 61 3.532 -2.208 15.641 451 2HB ASP 61 HB3 ASP 61 4.033 -3.702 16.427 452 H ASP 62 HN ASP 62 4.494 -2.046 12.931 453 HA ASP 62 HA ASP 62 3.401 -4.491 11.955 454 1HB ASP 62 HB2 ASP 62 3.920 -1.917 10.454 455 2HB ASP 62 HB3 ASP 62 2.836 -3.210 9.965 456 H PHE 63 HN PHE 63 6.552 -3.677 12.204 457 HA PHE 63 HA PHE 63 7.862 -3.822 9.882 458 1HB PHE 63 HB2 PHE 63 8.651 -4.132 12.427 459 2HB PHE 63 HB3 PHE 63 8.834 -5.794 11.874 460 HD1 PHE 63 HD1 PHE 63 9.709 -2.315 10.883 461 HD2 PHE 63 HD2 PHE 63 10.801 -6.429 10.865 462 HE1 PHE 63 HE1 PHE 63 11.871 -1.735 9.862 463 HE2 PHE 63 HE2 PHE 63 12.966 -5.854 9.850 464 HZ PHE 63 HZ PHE 63 13.504 -3.504 9.346 465 HA PRO 64 HA PRO 64 7.173 -8.481 9.239 466 1HB PRO 64 HB2 PRO 64 5.916 -9.977 11.048 467 2HB PRO 64 HB3 PRO 64 7.586 -9.459 11.309 468 1HG PRO 64 HG2 PRO 64 5.068 -8.417 12.514 469 2HG PRO 64 HG3 PRO 64 6.670 -8.601 13.245 470 1HD PRO 64 HD2 PRO 64 5.585 -6.235 12.194 471 2HD PRO 64 HD3 PRO 64 7.285 -6.512 12.610 472 H PHE 65 HN PHE 65 5.685 -7.315 7.748 473 HA PHE 65 HA PHE 65 2.866 -7.356 8.277 474 1HB PHE 65 HB2 PHE 65 4.617 -6.297 6.230 475 2HB PHE 65 HB3 PHE 65 3.232 -7.114 5.509 476 HD1 PHE 65 HD1 PHE 65 4.261 -4.335 7.717 477 HD2 PHE 65 HD2 PHE 65 1.065 -6.224 5.653 478 HE1 PHE 65 HE1 PHE 65 2.830 -2.387 8.149 479 HE2 PHE 65 HE2 PHE 65 -0.372 -4.285 6.070 480 HZ PHE 65 HZ PHE 65 0.509 -2.356 7.323 481 H LYS 66 HN LYS 66 1.331 -8.739 7.507 482 HA LYS 66 HA LYS 66 2.104 -11.417 6.960 483 1HB LYS 66 HB2 LYS 66 -0.578 -10.046 6.776 484 2HB LYS 66 HB3 LYS 66 -0.342 -11.778 6.599 485 1HG LYS 66 HG2 LYS 66 0.296 -10.152 9.052 486 2HG LYS 66 HG3 LYS 66 -1.109 -11.198 8.837 487 1HD LYS 66 HD2 LYS 66 0.378 -13.131 8.582 488 2HD LYS 66 HD3 LYS 66 1.777 -12.080 8.810 489 1HE LYS 66 HE2 LYS 66 -0.416 -12.570 10.822 490 2HE LYS 66 HE3 LYS 66 1.202 -13.269 10.868 491 1HZ LYS 66 HZ1 LYS 66 1.869 -11.488 11.972 492 2HZ LYS 66 HZ2 LYS 66 0.339 -10.779 11.850 493 3HZ LYS 66 HZ3 LYS 66 1.493 -10.508 10.644 494 H SER 67 HN SER 67 3.505 -10.614 5.125 495 HA SER 67 HA SER 67 4.014 -10.635 2.936 496 1HB SER 67 HB2 SER 67 1.329 -11.951 2.550 497 2HB SER 67 HB3 SER 67 2.712 -12.020 1.457 498 HG SER 67 HG SER 67 2.935 -13.836 2.588 499 H ALA 68 HN ALA 68 3.521 -9.768 0.822 500 HA ALA 68 HA ALA 68 2.686 -7.148 0.856 501 1HB ALA 68 HB1 ALA 68 2.442 -7.527 -1.693 502 2HB ALA 68 HB2 ALA 68 4.022 -7.735 -0.932 503 3HB ALA 68 HB3 ALA 68 3.041 -9.146 -1.331 504 H GLU 69 HN GLU 69 0.757 -10.021 0.367 505 HA GLU 69 HA GLU 69 -1.503 -8.838 -0.772 506 1HB GLU 69 HB2 GLU 69 -2.737 -10.790 0.105 507 2HB GLU 69 HB3 GLU 69 -1.247 -11.242 -0.713 508 1HG GLU 69 HG2 GLU 69 -0.164 -11.417 1.496 509 2HG GLU 69 HG3 GLU 69 -1.727 -11.088 2.238 510 H GLU 70 HN GLU 70 -0.709 -9.362 2.705 511 HA GLU 70 HA GLU 70 -3.141 -8.210 3.568 512 1HB GLU 70 HB2 GLU 70 -2.437 -8.529 5.721 513 2HB GLU 70 HB3 GLU 70 -1.448 -9.709 4.877 514 1HG GLU 70 HG2 GLU 70 0.363 -8.772 5.694 515 2HG GLU 70 HG3 GLU 70 -0.037 -7.265 4.900 516 H VAL 71 HN VAL 71 -0.009 -6.910 2.780 517 HA VAL 71 HA VAL 71 -0.296 -4.365 3.943 518 HB VAL 71 HB VAL 71 1.153 -5.118 1.403 519 1HG1 VAL 71 HG11 VAL 71 0.849 -2.777 1.308 520 2HG1 VAL 71 HG12 VAL 71 1.174 -2.589 3.031 521 3HG1 VAL 71 HG13 VAL 71 2.481 -3.024 1.929 522 1HG2 VAL 71 HG21 VAL 71 3.083 -5.367 2.703 523 2HG2 VAL 71 HG22 VAL 71 2.347 -4.612 4.109 524 3HG2 VAL 71 HG23 VAL 71 1.827 -6.218 3.597 525 H ALA 72 HN ALA 72 -1.199 -5.538 0.715 526 HA ALA 72 HA ALA 72 -2.162 -3.153 -0.343 527 1HB ALA 72 HB1 ALA 72 -2.533 -6.022 -0.913 528 2HB ALA 72 HB2 ALA 72 -3.776 -4.943 -1.542 529 3HB ALA 72 HB3 ALA 72 -2.088 -4.697 -1.988 530 H ASP 73 HN ASP 73 -4.046 -5.748 1.253 531 HA ASP 73 HA ASP 73 -6.482 -4.321 1.232 532 1HB ASP 73 HB2 ASP 73 -5.586 -6.553 3.068 533 2HB ASP 73 HB3 ASP 73 -7.247 -5.995 2.883 534 H THR 74 HN THR 74 -3.872 -4.478 3.566 535 HA THR 74 HA THR 74 -5.182 -3.210 5.714 536 HB THR 74 HB THR 74 -2.239 -3.379 5.050 537 HG1 THR 74 HG1 THR 74 -2.407 -5.022 6.763 538 1HG2 THR 74 HG21 THR 74 -1.826 -2.848 7.394 539 2HG2 THR 74 HG22 THR 74 -3.555 -2.634 7.665 540 3HG2 THR 74 HG23 THR 74 -2.685 -1.528 6.602 541 H ILE 75 HN ILE 75 -2.981 -1.901 3.232 542 HA ILE 75 HA ILE 75 -2.964 0.731 4.162 543 HB ILE 75 HB ILE 75 -2.582 -0.290 1.346 544 1HG1 ILE 75 HG12 ILE 75 -0.591 0.443 3.503 545 2HG1 ILE 75 HG13 ILE 75 -1.006 -1.196 3.018 546 1HG2 ILE 75 HG21 ILE 75 -1.335 2.238 2.225 547 2HG2 ILE 75 HG22 ILE 75 -1.956 1.771 0.643 548 3HG2 ILE 75 HG23 ILE 75 -3.069 2.287 1.910 549 1HD1 ILE 75 HD11 ILE 75 1.111 -0.437 2.059 550 2HD1 ILE 75 HD12 ILE 75 -0.085 -0.807 0.817 551 3HD1 ILE 75 HD13 ILE 75 0.259 0.871 1.239 552 H VAL 76 HN VAL 76 -5.058 -0.724 1.635 553 HA VAL 76 HA VAL 76 -6.473 1.608 1.025 554 HB VAL 76 HB VAL 76 -8.422 -0.079 0.510 555 1HG1 VAL 76 HG11 VAL 76 -6.590 -0.868 -1.439 556 2HG1 VAL 76 HG12 VAL 76 -7.671 0.525 -1.492 557 3HG1 VAL 76 HG13 VAL 76 -6.031 0.710 -0.886 558 1HG2 VAL 76 HG21 VAL 76 -6.500 -2.179 0.034 559 2HG2 VAL 76 HG22 VAL 76 -6.630 -1.814 1.755 560 3HG2 VAL 76 HG23 VAL 76 -8.070 -2.251 0.837 561 H ASN 77 HN ASN 77 -7.036 -0.787 3.559 562 HA ASN 77 HA ASN 77 -9.522 0.183 4.440 563 1HB ASN 77 HB2 ASN 77 -7.351 -1.262 5.971 564 2HB ASN 77 HB3 ASN 77 -8.991 -1.011 6.556 565 1HD2 ASN 77 HD21 ASN 77 -9.411 -1.430 3.351 566 2HD2 ASN 77 HD22 ASN 77 -9.623 -3.141 3.299 567 H LYS 78 HN LYS 78 -6.274 0.778 5.793 568 HA LYS 78 HA LYS 78 -7.205 2.729 7.650 569 1HB LYS 78 HB2 LYS 78 -4.413 2.111 6.691 570 2HB LYS 78 HB3 LYS 78 -4.809 3.114 8.082 571 1HG LYS 78 HG2 LYS 78 -5.859 1.183 9.165 572 2HG LYS 78 HG3 LYS 78 -5.428 0.182 7.778 573 1HD LYS 78 HD2 LYS 78 -3.058 0.622 8.194 574 2HD LYS 78 HD3 LYS 78 -3.485 1.636 9.573 575 1HE LYS 78 HE2 LYS 78 -4.514 -0.295 10.672 576 2HE LYS 78 HE3 LYS 78 -4.085 -1.308 9.292 577 1HZ LYS 78 HZ1 LYS 78 -2.550 -1.398 11.270 578 2HZ LYS 78 HZ2 LYS 78 -2.058 0.169 10.866 579 3HZ LYS 78 HZ3 LYS 78 -1.810 -1.101 9.777 580 H ALA 79 HN ALA 79 -5.591 2.907 4.513 581 HA ALA 79 HA ALA 79 -5.109 5.685 4.560 582 1HB ALA 79 HB1 ALA 79 -4.101 3.881 3.040 583 2HB ALA 79 HB2 ALA 79 -5.515 4.149 2.024 584 3HB ALA 79 HB3 ALA 79 -4.404 5.477 2.356 585 H GLY 80 HN GLY 80 -7.957 3.839 3.636 586 1HA GLY 80 HA1 GLY 80 -9.865 5.683 3.941 587 2HA GLY 80 HA2 GLY 80 -9.160 6.191 2.410 588 H LEU 81 HN LEU 81 -8.692 3.977 1.087 589 HA LEU 81 HA LEU 81 -11.207 3.267 0.076 590 1HB LEU 81 HB2 LEU 81 -8.605 1.801 -0.326 591 2HB LEU 81 HB3 LEU 81 -9.989 1.828 -1.407 592 HG LEU 81 HG LEU 81 -8.443 4.327 -0.725 593 1HD1 LEU 81 HD11 LEU 81 -6.728 3.260 -1.776 594 2HD1 LEU 81 HD12 LEU 81 -7.792 2.140 -2.627 595 3HD1 LEU 81 HD13 LEU 81 -7.608 3.794 -3.207 596 1HD2 LEU 81 HD21 LEU 81 -10.300 5.120 -1.734 597 2HD2 LEU 81 HD22 LEU 81 -9.433 4.667 -3.203 598 3HD2 LEU 81 HD23 LEU 81 -10.658 3.589 -2.533 Start of MODEL 24 1 1H GLY -3 HT1 GLY -3 -16.049 -0.865 -12.880 2 2H GLY -3 HT2 GLY -3 -16.442 0.575 -12.083 3 3H GLY -3 HT3 GLY -3 -17.118 0.235 -13.596 4 1HA GLY -3 HA2 GLY -3 -18.253 -1.712 -12.626 5 2HA GLY -3 HA1 GLY -3 -17.641 -1.209 -11.056 6 H SER -2 HN SER -2 -17.975 1.529 -11.196 7 HA SER -2 HA SER -2 -19.518 3.152 -10.802 8 1HB SER -2 HB2 SER -2 -21.087 1.662 -12.922 9 2HB SER -2 HB3 SER -2 -21.447 3.289 -12.343 10 HG SER -2 HG SER -2 -19.777 2.585 -14.263 11 H HIS -1 HN HIS -1 -19.516 1.176 -8.938 12 HA HIS -1 HA HIS -1 -22.021 1.470 -7.705 13 1HB HIS -1 HB2 HIS -1 -22.770 -0.146 -9.393 14 2HB HIS -1 HB3 HIS -1 -21.516 -1.272 -8.883 15 HD1 HIS -1 HD1 HIS -1 -21.770 -1.787 -6.096 16 HD2 HIS -1 HD2 HIS -1 -25.145 -0.777 -8.299 17 HE1 HIS -1 HE1 HIS -1 -23.725 -2.605 -4.743 18 HE2 HIS -1 HE2 HIS -1 -25.759 -1.906 -6.055 19 H MET 1 HN MET 1 -19.216 -0.680 -8.003 20 HA MET 1 HA MET 1 -19.205 -1.316 -5.198 21 1HB MET 1 HB2 MET 1 -17.132 -1.829 -7.336 22 2HB MET 1 HB3 MET 1 -17.105 -2.504 -5.713 23 1HG MET 1 HG2 MET 1 -19.194 -3.682 -6.164 24 2HG MET 1 HG3 MET 1 -19.225 -3.001 -7.790 25 1HE MET 1 HE1 MET 1 -19.131 -6.476 -7.190 26 2HE MET 1 HE2 MET 1 -19.723 -5.346 -8.407 27 3HE MET 1 HE3 MET 1 -18.483 -6.526 -8.829 28 H LYS 2 HN LYS 2 -19.190 1.375 -5.248 29 HA LYS 2 HA LYS 2 -18.154 3.160 -4.328 30 1HB LYS 2 HB2 LYS 2 -17.241 1.409 -2.752 31 2HB LYS 2 HB3 LYS 2 -15.812 1.331 -3.771 32 1HG LYS 2 HG2 LYS 2 -15.375 3.704 -3.325 33 2HG LYS 2 HG3 LYS 2 -16.803 3.763 -2.295 34 1HD LYS 2 HD2 LYS 2 -14.824 3.520 -0.929 35 2HD LYS 2 HD3 LYS 2 -15.790 2.048 -0.839 36 1HE LYS 2 HE2 LYS 2 -14.316 0.958 -2.436 37 2HE LYS 2 HE3 LYS 2 -13.378 2.440 -2.609 38 1HZ LYS 2 HZ1 LYS 2 -13.264 2.079 0.025 39 2HZ LYS 2 HZ2 LYS 2 -12.111 1.464 -1.048 40 3HZ LYS 2 HZ3 LYS 2 -13.353 0.467 -0.482 41 H MET 3 HN MET 3 -14.881 2.638 -4.758 42 HA MET 3 HA MET 3 -14.928 4.277 -7.138 43 1HB MET 3 HB2 MET 3 -12.611 3.346 -5.432 44 2HB MET 3 HB3 MET 3 -12.481 4.464 -6.783 45 1HG MET 3 HG2 MET 3 -13.935 6.043 -5.608 46 2HG MET 3 HG3 MET 3 -14.035 4.926 -4.248 47 1HE MET 3 HE1 MET 3 -11.801 7.791 -2.806 48 2HE MET 3 HE2 MET 3 -13.113 8.007 -3.965 49 3HE MET 3 HE3 MET 3 -13.292 6.866 -2.631 50 H GLY 4 HN GLY 4 -13.998 1.047 -6.147 51 1HA GLY 4 HA1 GLY 4 -13.964 -0.823 -7.568 52 2HA GLY 4 HA2 GLY 4 -13.901 0.255 -8.952 53 H VAL 5 HN VAL 5 -11.693 1.825 -8.263 54 HA VAL 5 HA VAL 5 -9.594 0.092 -9.054 55 HB VAL 5 HB VAL 5 -9.825 2.608 -9.521 56 1HG1 VAL 5 HG11 VAL 5 -8.106 2.818 -7.068 57 2HG1 VAL 5 HG12 VAL 5 -8.792 4.132 -8.037 58 3HG1 VAL 5 HG13 VAL 5 -9.847 3.137 -7.028 59 1HG2 VAL 5 HG21 VAL 5 -7.201 1.322 -8.888 60 2HG2 VAL 5 HG22 VAL 5 -8.010 1.434 -10.453 61 3HG2 VAL 5 HG23 VAL 5 -7.352 2.880 -9.694 62 H LYS 6 HN LYS 6 -10.912 0.553 -6.000 63 HA LYS 6 HA LYS 6 -8.813 0.845 -4.274 64 1HB LYS 6 HB2 LYS 6 -11.024 0.563 -3.400 65 2HB LYS 6 HB3 LYS 6 -11.182 -1.027 -4.128 66 1HG LYS 6 HG2 LYS 6 -9.115 -0.495 -2.027 67 2HG LYS 6 HG3 LYS 6 -10.790 -0.845 -1.595 68 1HD LYS 6 HD2 LYS 6 -10.566 -2.918 -3.061 69 2HD LYS 6 HD3 LYS 6 -8.832 -2.602 -3.058 70 1HE LYS 6 HE2 LYS 6 -8.820 -2.710 -0.614 71 2HE LYS 6 HE3 LYS 6 -10.551 -3.039 -0.622 72 1HZ LYS 6 HZ1 LYS 6 -10.229 -5.165 -1.213 73 2HZ LYS 6 HZ2 LYS 6 -8.675 -4.934 -0.588 74 3HZ LYS 6 HZ3 LYS 6 -8.942 -4.813 -2.254 75 H GLU 7 HN GLU 7 -9.840 -2.137 -5.883 76 HA GLU 7 HA GLU 7 -7.540 -3.601 -4.974 77 1HB GLU 7 HB2 GLU 7 -9.657 -4.763 -5.370 78 2HB GLU 7 HB3 GLU 7 -9.624 -4.284 -7.061 79 1HG GLU 7 HG2 GLU 7 -8.946 -6.582 -6.838 80 2HG GLU 7 HG3 GLU 7 -7.587 -5.604 -7.387 81 H ASP 8 HN ASP 8 -8.420 -1.740 -7.818 82 HA ASP 8 HA ASP 8 -6.455 -2.731 -9.563 83 1HB ASP 8 HB2 ASP 8 -8.049 -0.240 -9.512 84 2HB ASP 8 HB3 ASP 8 -6.826 -0.491 -10.745 85 H ILE 9 HN ILE 9 -6.440 0.227 -7.607 86 HA ILE 9 HA ILE 9 -3.822 1.016 -8.246 87 HB ILE 9 HB ILE 9 -5.725 1.706 -6.022 88 1HG1 ILE 9 HG12 ILE 9 -4.356 3.355 -8.154 89 2HG1 ILE 9 HG13 ILE 9 -6.001 2.741 -8.235 90 1HG2 ILE 9 HG21 ILE 9 -3.520 1.633 -4.973 91 2HG2 ILE 9 HG22 ILE 9 -2.885 2.705 -6.219 92 3HG2 ILE 9 HG23 ILE 9 -4.117 3.287 -5.099 93 1HD1 ILE 9 HD11 ILE 9 -6.525 4.773 -7.460 94 2HD1 ILE 9 HD12 ILE 9 -6.085 4.084 -5.898 95 3HD1 ILE 9 HD13 ILE 9 -4.914 5.047 -6.797 96 H ARG 10 HN ARG 10 -5.156 -0.766 -5.427 97 HA ARG 10 HA ARG 10 -2.648 -1.275 -4.238 98 1HB ARG 10 HB2 ARG 10 -5.361 -2.134 -3.800 99 2HB ARG 10 HB3 ARG 10 -4.295 -3.539 -3.761 100 1HG ARG 10 HG2 ARG 10 -4.491 -2.710 -1.550 101 2HG ARG 10 HG3 ARG 10 -2.874 -2.288 -2.126 102 1HD ARG 10 HD2 ARG 10 -5.201 -0.432 -2.349 103 2HD ARG 10 HD3 ARG 10 -4.187 -0.476 -0.908 104 HE ARG 10 HE ARG 10 -2.603 -0.145 -3.222 105 1HH1 ARG 10 HH12 ARG 10 -4.763 1.612 -1.135 106 2HH1 ARG 10 HH11 ARG 10 -4.163 3.156 -1.602 107 1HH2 ARG 10 HH22 ARG 10 -1.802 1.886 -3.842 108 2HH2 ARG 10 HH21 ARG 10 -2.465 3.313 -3.132 109 H GLY 11 HN GLY 11 -4.221 -2.581 -7.012 110 1HA GLY 11 HA1 GLY 11 -2.787 -5.017 -7.236 111 2HA GLY 11 HA2 GLY 11 -3.457 -4.096 -8.586 112 H GLN 12 HN GLN 12 -2.142 -1.697 -8.096 113 HA GLN 12 HA GLN 12 0.339 -2.134 -9.405 114 1HB GLN 12 HB2 GLN 12 -0.774 0.350 -8.081 115 2HB GLN 12 HB3 GLN 12 0.629 0.308 -9.137 116 1HG GLN 12 HG2 GLN 12 -0.782 -0.467 -10.976 117 2HG GLN 12 HG3 GLN 12 -2.186 -0.413 -9.912 118 1HE2 GLN 12 HE21 GLN 12 -0.603 1.205 -12.264 119 2HE2 GLN 12 HE22 GLN 12 -1.144 2.813 -11.937 120 H ILE 13 HN ILE 13 -0.609 -1.537 -6.049 121 HA ILE 13 HA ILE 13 2.038 -1.073 -5.096 122 HB ILE 13 HB ILE 13 -0.446 -1.905 -3.593 123 1HG1 ILE 13 HG12 ILE 13 0.976 0.739 -3.962 124 2HG1 ILE 13 HG13 ILE 13 -0.690 0.341 -4.372 125 1HG2 ILE 13 HG21 ILE 13 0.748 -2.298 -1.760 126 2HG2 ILE 13 HG22 ILE 13 2.212 -2.178 -2.734 127 3HG2 ILE 13 HG23 ILE 13 1.582 -0.754 -1.913 128 1HD1 ILE 13 HD11 ILE 13 -1.263 0.197 -2.017 129 2HD1 ILE 13 HD12 ILE 13 0.415 0.497 -1.575 130 3HD1 ILE 13 HD13 ILE 13 -0.519 1.755 -2.375 131 H ILE 14 HN ILE 14 -0.056 -3.931 -5.242 132 HA ILE 14 HA ILE 14 1.546 -5.722 -3.858 133 HB ILE 14 HB ILE 14 -0.395 -6.096 -6.121 134 1HG1 ILE 14 HG12 ILE 14 -1.330 -5.521 -3.948 135 2HG1 ILE 14 HG13 ILE 14 -1.727 -7.192 -4.338 136 1HG2 ILE 14 HG21 ILE 14 0.747 -7.997 -6.603 137 2HG2 ILE 14 HG22 ILE 14 1.507 -8.075 -5.013 138 3HG2 ILE 14 HG23 ILE 14 -0.160 -8.613 -5.221 139 1HD1 ILE 14 HD11 ILE 14 0.185 -6.134 -2.308 140 2HD1 ILE 14 HD12 ILE 14 -1.123 -7.300 -2.119 141 3HD1 ILE 14 HD13 ILE 14 0.362 -7.768 -2.946 142 H GLY 15 HN GLY 15 1.527 -5.069 -7.374 143 1HA GLY 15 HA1 GLY 15 3.727 -6.754 -7.962 144 2HA GLY 15 HA2 GLY 15 3.150 -5.431 -8.971 145 H ALA 16 HN ALA 16 3.442 -3.393 -7.040 146 HA ALA 16 HA ALA 16 6.109 -2.599 -7.476 147 1HB ALA 16 HB1 ALA 16 5.279 -0.954 -5.489 148 2HB ALA 16 HB2 ALA 16 4.874 -0.735 -7.191 149 3HB ALA 16 HB3 ALA 16 3.728 -1.531 -6.107 150 H LEU 17 HN LEU 17 4.588 -4.400 -4.954 151 HA LEU 17 HA LEU 17 6.708 -4.016 -3.027 152 1HB LEU 17 HB2 LEU 17 4.210 -5.705 -3.061 153 2HB LEU 17 HB3 LEU 17 5.356 -5.718 -1.738 154 HG LEU 17 HG LEU 17 4.066 -3.156 -2.630 155 1HD1 LEU 17 HD11 LEU 17 2.544 -3.672 -0.570 156 2HD1 LEU 17 HD12 LEU 17 2.123 -4.289 -2.167 157 3HD1 LEU 17 HD13 LEU 17 2.892 -5.347 -0.986 158 1HD2 LEU 17 HD21 LEU 17 5.040 -2.256 -0.830 159 2HD2 LEU 17 HD22 LEU 17 4.640 -3.631 0.200 160 3HD2 LEU 17 HD23 LEU 17 6.065 -3.690 -0.839 161 H ALA 18 HN ALA 18 5.721 -6.326 -5.420 162 HA ALA 18 HA ALA 18 7.118 -8.593 -4.556 163 1HB ALA 18 HB1 ALA 18 6.229 -7.653 -7.259 164 2HB ALA 18 HB2 ALA 18 7.135 -9.152 -7.063 165 3HB ALA 18 HB3 ALA 18 5.577 -8.953 -6.263 166 H GLY 19 HN GLY 19 9.132 -7.714 -3.724 167 1HA GLY 19 HA1 GLY 19 11.327 -8.164 -5.361 168 2HA GLY 19 HA2 GLY 19 11.025 -6.435 -5.415 169 H ALA 20 HN ALA 20 10.093 -6.220 -2.705 170 HA ALA 20 HA ALA 20 12.416 -5.573 -1.358 171 1HB ALA 20 HB1 ALA 20 10.256 -6.416 0.413 172 2HB ALA 20 HB2 ALA 20 11.031 -4.842 0.231 173 3HB ALA 20 HB3 ALA 20 9.741 -5.322 -0.872 174 H ASP 21 HN ASP 21 12.548 -6.556 1.068 175 HA ASP 21 HA ASP 21 13.963 -8.975 0.837 176 1HB ASP 21 HB2 ASP 21 12.932 -7.295 3.102 177 2HB ASP 21 HB3 ASP 21 13.608 -8.891 3.454 178 H PHE 22 HN PHE 22 11.995 -9.571 3.514 179 HA PHE 22 HA PHE 22 10.793 -11.826 2.315 180 1HB PHE 22 HB2 PHE 22 9.682 -12.185 4.380 181 2HB PHE 22 HB3 PHE 22 11.179 -11.401 4.831 182 HD1 PHE 22 HD1 PHE 22 10.867 -10.028 6.677 183 HD2 PHE 22 HD2 PHE 22 7.853 -10.151 3.687 184 HE1 PHE 22 HE1 PHE 22 9.593 -8.376 7.948 185 HE2 PHE 22 HE2 PHE 22 6.575 -8.459 4.932 186 HZ PHE 22 HZ PHE 22 7.492 -7.552 7.065 187 HA PRO 23 HA PRO 23 7.189 -10.178 0.432 188 1HB PRO 23 HB2 PRO 23 4.973 -11.137 1.676 189 2HB PRO 23 HB3 PRO 23 5.983 -12.118 0.612 190 1HG PRO 23 HG2 PRO 23 5.990 -11.956 3.606 191 2HG PRO 23 HG3 PRO 23 6.041 -13.394 2.564 192 1HD PRO 23 HD2 PRO 23 8.257 -12.398 3.694 193 2HD PRO 23 HD3 PRO 23 8.295 -13.106 2.068 194 H ILE 24 HN ILE 24 8.154 -8.161 1.722 195 HA ILE 24 HA ILE 24 7.205 -6.029 2.058 196 HB ILE 24 HB ILE 24 5.120 -7.457 3.678 197 1HG1 ILE 24 HG12 ILE 24 4.776 -7.845 1.347 198 2HG1 ILE 24 HG13 ILE 24 3.654 -6.567 1.809 199 1HG2 ILE 24 HG21 ILE 24 4.392 -4.793 3.037 200 2HG2 ILE 24 HG22 ILE 24 4.614 -5.525 4.623 201 3HG2 ILE 24 HG23 ILE 24 5.975 -4.767 3.810 202 1HD1 ILE 24 HD11 ILE 24 4.472 -5.592 -0.035 203 2HD1 ILE 24 HD12 ILE 24 5.762 -5.091 1.055 204 3HD1 ILE 24 HD13 ILE 24 5.981 -6.500 0.018 205 H ASN 25 HN ASN 25 9.440 -6.455 3.138 206 HA ASN 25 HA ASN 25 9.643 -6.673 5.954 207 1HB ASN 25 HB2 ASN 25 11.396 -5.786 3.736 208 2HB ASN 25 HB3 ASN 25 11.836 -5.269 5.365 209 1HD2 ASN 25 HD21 ASN 25 13.230 -6.505 6.300 210 2HD2 ASN 25 HD22 ASN 25 13.375 -8.221 6.126 211 H SER 26 HN SER 26 7.655 -5.081 6.187 212 HA SER 26 HA SER 26 6.891 -3.084 6.976 213 1HB SER 26 HB2 SER 26 8.272 -1.884 8.448 214 2HB SER 26 HB3 SER 26 8.974 -3.499 8.485 215 HG SER 26 HG SER 26 10.273 -2.435 6.591 216 HA PRO 27 HA PRO 27 6.919 -0.283 3.652 217 1HB PRO 27 HB2 PRO 27 7.207 1.921 5.640 218 2HB PRO 27 HB3 PRO 27 6.039 1.743 4.324 219 1HG PRO 27 HG2 PRO 27 5.335 1.264 6.859 220 2HG PRO 27 HG3 PRO 27 4.702 0.277 5.529 221 1HD PRO 27 HD2 PRO 27 6.771 -0.390 7.559 222 2HD PRO 27 HD3 PRO 27 5.605 -1.447 6.735 223 H GLU 28 HN GLU 28 9.389 0.134 6.105 224 HA GLU 28 HA GLU 28 11.098 1.857 4.744 225 1HB GLU 28 HB2 GLU 28 11.917 -0.517 6.441 226 2HB GLU 28 HB3 GLU 28 12.888 0.911 6.094 227 1HG GLU 28 HG2 GLU 28 10.322 0.866 7.671 228 2HG GLU 28 HG3 GLU 28 11.951 0.993 8.336 229 H GLU 29 HN GLU 29 11.191 -1.700 4.789 230 HA GLU 29 HA GLU 29 13.073 -1.890 2.657 231 1HB GLU 29 HB2 GLU 29 12.733 -3.508 4.526 232 2HB GLU 29 HB3 GLU 29 11.218 -3.961 3.722 233 1HG GLU 29 HG2 GLU 29 13.087 -5.490 3.199 234 2HG GLU 29 HG3 GLU 29 12.432 -4.688 1.772 235 H LEU 30 HN LEU 30 9.667 -2.978 2.906 236 HA LEU 30 HA LEU 30 9.329 -3.785 0.306 237 1HB LEU 30 HB2 LEU 30 6.990 -3.603 0.650 238 2HB LEU 30 HB3 LEU 30 7.690 -4.009 2.202 239 HG LEU 30 HG LEU 30 7.650 -1.425 2.566 240 1HD1 LEU 30 HD11 LEU 30 5.146 -1.337 1.086 241 2HD1 LEU 30 HD12 LEU 30 6.441 -0.144 1.202 242 3HD1 LEU 30 HD13 LEU 30 6.569 -1.472 0.049 243 1HD2 LEU 30 HD21 LEU 30 6.425 -2.989 3.935 244 2HD2 LEU 30 HD22 LEU 30 5.400 -1.610 3.541 245 3HD2 LEU 30 HD23 LEU 30 5.182 -3.137 2.691 246 H MET 31 HN MET 31 8.912 -0.513 1.626 247 HA MET 31 HA MET 31 8.207 0.688 -0.849 248 1HB MET 31 HB2 MET 31 7.928 1.672 1.515 249 2HB MET 31 HB3 MET 31 9.626 2.109 1.396 250 1HG MET 31 HG2 MET 31 9.050 3.355 -0.703 251 2HG MET 31 HG3 MET 31 7.357 3.087 -0.304 252 1HE MET 31 HE1 MET 31 7.581 4.587 3.426 253 2HE MET 31 HE2 MET 31 6.260 4.482 2.263 254 3HE MET 31 HE3 MET 31 7.267 3.071 2.585 255 H ALA 32 HN ALA 32 11.201 -0.232 0.740 256 HA ALA 32 HA ALA 32 12.928 1.341 -0.907 257 1HB ALA 32 HB1 ALA 32 14.326 0.671 0.683 258 2HB ALA 32 HB2 ALA 32 13.192 -0.567 1.221 259 3HB ALA 32 HB3 ALA 32 14.345 -0.926 -0.064 260 H ALA 33 HN ALA 33 11.385 -1.770 -1.261 261 HA ALA 33 HA ALA 33 13.032 -2.723 -3.374 262 1HB ALA 33 HB1 ALA 33 11.274 -3.882 -1.727 263 2HB ALA 33 HB2 ALA 33 10.275 -3.731 -3.173 264 3HB ALA 33 HB3 ALA 33 11.808 -4.599 -3.248 265 H LEU 34 HN LEU 34 9.955 -0.981 -3.270 266 HA LEU 34 HA LEU 34 8.815 -1.149 -5.626 267 1HB LEU 34 HB2 LEU 34 9.542 1.323 -4.122 268 2HB LEU 34 HB3 LEU 34 8.751 1.476 -5.680 269 HG LEU 34 HG LEU 34 6.803 0.322 -4.902 270 1HD1 LEU 34 HD11 LEU 34 8.394 -0.247 -2.417 271 2HD1 LEU 34 HD12 LEU 34 6.661 -0.522 -2.571 272 3HD1 LEU 34 HD13 LEU 34 7.790 -1.419 -3.586 273 1HD2 LEU 34 HD21 LEU 34 7.867 2.436 -3.076 274 2HD2 LEU 34 HD22 LEU 34 6.581 2.541 -4.276 275 3HD2 LEU 34 HD23 LEU 34 6.304 1.688 -2.759 276 HA PRO 35 HA PRO 35 11.834 -1.008 -8.865 277 1HB PRO 35 HB2 PRO 35 10.046 -0.413 -10.897 278 2HB PRO 35 HB3 PRO 35 10.394 -2.033 -10.285 279 1HG PRO 35 HG2 PRO 35 8.134 -0.193 -9.606 280 2HG PRO 35 HG3 PRO 35 8.114 -1.948 -9.863 281 1HD PRO 35 HD2 PRO 35 8.042 -0.919 -7.405 282 2HD PRO 35 HD3 PRO 35 8.974 -2.392 -7.751 283 H ASN 36 HN ASN 36 9.644 1.659 -8.263 284 HA ASN 36 HA ASN 36 10.812 3.449 -10.141 285 1HB ASN 36 HB2 ASN 36 8.605 3.918 -9.465 286 2HB ASN 36 HB3 ASN 36 9.010 3.763 -7.761 287 1HD2 ASN 36 HD21 ASN 36 9.032 5.561 -6.715 288 2HD2 ASN 36 HD22 ASN 36 9.422 7.118 -7.333 289 H GLY 37 HN GLY 37 11.595 2.568 -6.854 290 1HA GLY 37 HA1 GLY 37 13.781 2.942 -5.974 291 2HA GLY 37 HA2 GLY 37 13.922 4.354 -7.008 292 HA PRO 38 HA PRO 38 12.606 6.790 -3.541 293 1HB PRO 38 HB2 PRO 38 11.554 8.966 -4.657 294 2HB PRO 38 HB3 PRO 38 13.253 8.551 -4.914 295 1HG PRO 38 HG2 PRO 38 10.906 8.144 -6.721 296 2HG PRO 38 HG3 PRO 38 12.547 8.686 -7.122 297 1HD PRO 38 HD2 PRO 38 11.609 6.097 -7.411 298 2HD PRO 38 HD3 PRO 38 13.321 6.540 -7.299 299 H ASP 39 HN ASP 39 10.753 4.730 -3.942 300 HA ASP 39 HA ASP 39 8.678 4.102 -3.319 301 1HB ASP 39 HB2 ASP 39 7.939 6.856 -2.461 302 2HB ASP 39 HB3 ASP 39 7.631 5.315 -1.664 303 H THR 40 HN THR 40 7.811 3.656 -5.303 304 HA THR 40 HA THR 40 6.874 5.589 -7.137 305 HB THR 40 HB THR 40 7.357 3.338 -7.898 306 HG1 THR 40 HG1 THR 40 5.764 3.381 -9.320 307 1HG2 THR 40 HG21 THR 40 5.289 2.588 -5.886 308 2HG2 THR 40 HG22 THR 40 6.853 1.846 -6.218 309 3HG2 THR 40 HG23 THR 40 5.503 1.587 -7.322 310 H THR 41 HN THR 41 4.869 6.444 -7.509 311 HA THR 41 HA THR 41 2.900 6.053 -5.359 312 HB THR 41 HB THR 41 3.076 8.347 -7.325 313 HG1 THR 41 HG1 THR 41 3.992 9.488 -5.597 314 1HG2 THR 41 HG21 THR 41 0.848 8.193 -6.552 315 2HG2 THR 41 HG22 THR 41 1.605 9.435 -5.555 316 3HG2 THR 41 HG23 THR 41 1.362 7.812 -4.909 317 H CYS 42 HN CYS 42 1.252 4.766 -5.859 318 HA CYS 42 HA CYS 42 0.519 4.327 -8.645 319 1HB CYS 42 HB2 CYS 42 -0.575 3.054 -6.123 320 2HB CYS 42 HB3 CYS 42 -0.907 2.533 -7.773 321 HG CYS 42 HG CYS 42 1.768 1.797 -8.280 322 H LYS 43 HN LYS 43 0.007 6.901 -7.849 323 HA LYS 43 HA LYS 43 -2.703 7.195 -6.958 324 1HB LYS 43 HB2 LYS 43 -2.316 9.587 -7.296 325 2HB LYS 43 HB3 LYS 43 -1.020 8.846 -6.371 326 1HG LYS 43 HG2 LYS 43 0.378 8.797 -8.377 327 2HG LYS 43 HG3 LYS 43 -0.925 9.557 -9.294 328 1HD LYS 43 HD2 LYS 43 -0.826 11.511 -7.825 329 2HD LYS 43 HD3 LYS 43 0.465 10.750 -6.895 330 1HE LYS 43 HE2 LYS 43 1.361 12.377 -8.478 331 2HE LYS 43 HE3 LYS 43 1.897 10.744 -8.872 332 1HZ LYS 43 HZ1 LYS 43 1.225 11.936 -10.851 333 2HZ LYS 43 HZ2 LYS 43 -0.312 12.220 -10.204 334 3HZ LYS 43 HZ3 LYS 43 0.171 10.641 -10.573 335 H SER 44 HN SER 44 -4.463 7.155 -8.135 336 HA SER 44 HA SER 44 -4.233 7.368 -11.055 337 1HB SER 44 HB2 SER 44 -6.489 6.277 -9.343 338 2HB SER 44 HB3 SER 44 -6.484 6.328 -11.107 339 HG SER 44 HG SER 44 -5.172 4.671 -11.158 340 H GLY 45 HN GLY 45 -4.838 9.230 -11.976 341 1HA GLY 45 HA1 GLY 45 -5.883 11.255 -12.301 342 2HA GLY 45 HA2 GLY 45 -7.161 10.669 -11.242 343 H ASP 46 HN ASP 46 -7.508 12.167 -9.731 344 HA ASP 46 HA ASP 46 -5.405 13.882 -8.783 345 1HB ASP 46 HB2 ASP 46 -7.196 14.826 -7.316 346 2HB ASP 46 HB3 ASP 46 -7.592 14.839 -9.031 347 H VAL 47 HN VAL 47 -7.227 11.149 -7.484 348 HA VAL 47 HA VAL 47 -6.261 11.323 -4.835 349 HB VAL 47 HB VAL 47 -7.244 8.871 -6.299 350 1HG1 VAL 47 HG11 VAL 47 -6.480 7.892 -4.417 351 2HG1 VAL 47 HG12 VAL 47 -6.464 9.404 -3.508 352 3HG1 VAL 47 HG13 VAL 47 -7.976 8.523 -3.729 353 1HG2 VAL 47 HG21 VAL 47 -8.633 11.199 -5.123 354 2HG2 VAL 47 HG22 VAL 47 -9.109 10.146 -6.455 355 3HG2 VAL 47 HG23 VAL 47 -9.325 9.613 -4.788 356 H GLU 48 HN GLU 48 -4.570 10.321 -3.794 357 HA GLU 48 HA GLU 48 -2.742 8.702 -5.399 358 1HB GLU 48 HB2 GLU 48 -0.885 10.038 -4.038 359 2HB GLU 48 HB3 GLU 48 -1.462 10.573 -5.608 360 1HG GLU 48 HG2 GLU 48 -1.274 12.395 -3.986 361 2HG GLU 48 HG3 GLU 48 -2.915 12.185 -4.587 362 H LEU 49 HN LEU 49 -2.164 6.906 -4.422 363 HA LEU 49 HA LEU 49 -2.017 6.835 -1.495 364 1HB LEU 49 HB2 LEU 49 -3.552 4.961 -3.283 365 2HB LEU 49 HB3 LEU 49 -3.004 4.482 -1.690 366 HG LEU 49 HG LEU 49 -5.349 5.134 -1.666 367 1HD1 LEU 49 HD11 LEU 49 -4.372 5.453 0.399 368 2HD1 LEU 49 HD12 LEU 49 -3.371 6.796 -0.160 369 3HD1 LEU 49 HD13 LEU 49 -5.106 7.022 0.068 370 1HD2 LEU 49 HD21 LEU 49 -4.849 7.997 -2.022 371 2HD2 LEU 49 HD22 LEU 49 -4.680 7.034 -3.490 372 3HD2 LEU 49 HD23 LEU 49 -6.189 6.996 -2.580 373 H LYS 50 HN LYS 50 -0.412 5.538 -0.685 374 HA LYS 50 HA LYS 50 0.875 3.487 -2.119 375 1HB LYS 50 HB2 LYS 50 3.039 4.572 -2.565 376 2HB LYS 50 HB3 LYS 50 1.739 5.308 -3.489 377 1HG LYS 50 HG2 LYS 50 1.627 7.126 -1.829 378 2HG LYS 50 HG3 LYS 50 2.994 6.399 -0.983 379 1HD LYS 50 HD2 LYS 50 4.407 6.712 -2.922 380 2HD LYS 50 HD3 LYS 50 3.042 7.334 -3.850 381 1HE LYS 50 HE2 LYS 50 2.862 9.239 -2.360 382 2HE LYS 50 HE3 LYS 50 4.158 8.602 -1.353 383 1HZ LYS 50 HZ1 LYS 50 4.394 10.278 -3.544 384 2HZ LYS 50 HZ2 LYS 50 5.028 8.788 -4.033 385 3HZ LYS 50 HZ3 LYS 50 5.646 9.560 -2.661 386 H ALA 51 HN ALA 51 3.385 3.482 -1.043 387 HA ALA 51 HA ALA 51 2.880 2.653 1.601 388 1HB ALA 51 HB1 ALA 51 5.204 2.151 1.732 389 2HB ALA 51 HB2 ALA 51 4.670 1.777 0.094 390 3HB ALA 51 HB3 ALA 51 5.575 3.256 0.408 391 H SER 52 HN SER 52 4.526 5.544 0.327 392 HA SER 52 HA SER 52 5.134 6.584 2.899 393 1HB SER 52 HB2 SER 52 6.417 7.264 0.950 394 2HB SER 52 HB3 SER 52 4.978 7.974 0.219 395 HG SER 52 HG SER 52 5.348 9.706 1.333 396 H ASP 53 HN ASP 53 2.520 7.254 0.582 397 HA ASP 53 HA ASP 53 1.310 9.310 2.097 398 1HB ASP 53 HB2 ASP 53 0.885 8.994 -0.308 399 2HB ASP 53 HB3 ASP 53 0.072 7.474 0.036 400 H ALA 54 HN ALA 54 0.400 5.882 1.703 401 HA ALA 54 HA ALA 54 -1.455 6.144 3.940 402 1HB ALA 54 HB1 ALA 54 -2.487 5.076 2.167 403 2HB ALA 54 HB2 ALA 54 -1.063 4.107 1.794 404 3HB ALA 54 HB3 ALA 54 -2.025 3.743 3.226 405 H GLY 55 HN GLY 55 1.349 4.159 3.002 406 1HA GLY 55 HA1 GLY 55 1.475 2.348 5.028 407 2HA GLY 55 HA2 GLY 55 2.907 3.094 4.347 408 H GLN 56 HN GLN 56 2.141 5.783 5.348 409 HA GLN 56 HA GLN 56 3.581 5.911 7.675 410 1HB GLN 56 HB2 GLN 56 2.235 8.006 8.183 411 2HB GLN 56 HB3 GLN 56 3.058 7.962 6.629 412 1HG GLN 56 HG2 GLN 56 1.004 7.494 5.497 413 2HG GLN 56 HG3 GLN 56 0.154 7.286 7.028 414 1HE2 GLN 56 HE21 GLN 56 0.706 9.377 4.552 415 2HE2 GLN 56 HE22 GLN 56 0.320 10.866 5.339 416 H VAL 57 HN VAL 57 0.213 5.113 7.275 417 HA VAL 57 HA VAL 57 -0.579 5.302 9.970 418 HB VAL 57 HB VAL 57 -2.527 3.980 9.305 419 1HG1 VAL 57 HG11 VAL 57 -1.542 6.325 7.853 420 2HG1 VAL 57 HG12 VAL 57 -2.815 5.437 7.006 421 3HG1 VAL 57 HG13 VAL 57 -3.100 6.044 8.637 422 1HG2 VAL 57 HG21 VAL 57 -2.116 2.315 7.859 423 2HG2 VAL 57 HG22 VAL 57 -2.337 3.544 6.615 424 3HG2 VAL 57 HG23 VAL 57 -0.715 3.129 7.166 425 H LEU 58 HN LEU 58 1.012 2.768 8.148 426 HA LEU 58 HA LEU 58 0.541 0.648 9.967 427 1HB LEU 58 HB2 LEU 58 2.962 0.915 8.193 428 2HB LEU 58 HB3 LEU 58 2.204 -0.559 8.769 429 HG LEU 58 HG LEU 58 1.054 1.362 6.744 430 1HD1 LEU 58 HD11 LEU 58 2.869 -0.779 6.469 431 2HD1 LEU 58 HD12 LEU 58 1.317 -1.326 5.833 432 3HD1 LEU 58 HD13 LEU 58 2.062 0.140 5.200 433 1HD2 LEU 58 HD21 LEU 58 -0.155 -0.788 8.342 434 2HD2 LEU 58 HD22 LEU 58 -0.902 0.592 7.538 435 3HD2 LEU 58 HD23 LEU 58 -0.491 -0.850 6.612 436 H THR 59 HN THR 59 1.382 0.278 11.918 437 HA THR 59 HA THR 59 3.306 2.077 13.046 438 HB THR 59 HB THR 59 3.106 0.717 15.088 439 HG1 THR 59 HG1 THR 59 2.095 -1.193 15.081 440 1HG2 THR 59 HG21 THR 59 1.452 2.299 15.143 441 2HG2 THR 59 HG22 THR 59 0.457 0.843 15.143 442 3HG2 THR 59 HG23 THR 59 0.713 1.736 13.645 443 H ALA 60 HN ALA 60 5.328 1.460 14.020 444 HA ALA 60 HA ALA 60 7.096 0.174 12.344 445 1HB ALA 60 HB1 ALA 60 8.271 1.400 13.828 446 2HB ALA 60 HB2 ALA 60 7.155 1.063 15.153 447 3HB ALA 60 HB3 ALA 60 8.367 -0.133 14.695 448 H ASP 61 HN ASP 61 5.332 -1.174 15.103 449 HA ASP 61 HA ASP 61 6.536 -3.676 15.232 450 1HB ASP 61 HB2 ASP 61 3.640 -2.969 15.752 451 2HB ASP 61 HB3 ASP 61 4.439 -4.446 16.285 452 H ASP 62 HN ASP 62 4.399 -2.373 12.866 453 HA ASP 62 HA ASP 62 3.329 -4.774 11.827 454 1HB ASP 62 HB2 ASP 62 3.785 -2.151 10.401 455 2HB ASP 62 HB3 ASP 62 2.699 -3.435 9.896 456 H PHE 63 HN PHE 63 6.521 -4.011 11.918 457 HA PHE 63 HA PHE 63 7.614 -4.141 9.465 458 1HB PHE 63 HB2 PHE 63 8.465 -4.964 12.103 459 2HB PHE 63 HB3 PHE 63 9.143 -6.019 10.868 460 HD1 PHE 63 HD1 PHE 63 8.466 -2.361 11.127 461 HD2 PHE 63 HD2 PHE 63 11.288 -5.440 10.318 462 HE1 PHE 63 HE1 PHE 63 10.171 -0.662 10.626 463 HE2 PHE 63 HE2 PHE 63 13.000 -3.747 9.818 464 HZ PHE 63 HZ PHE 63 12.467 -1.374 9.981 465 HA PRO 64 HA PRO 64 7.038 -8.842 8.942 466 1HB PRO 64 HB2 PRO 64 5.560 -10.009 11.099 467 2HB PRO 64 HB3 PRO 64 7.259 -10.247 10.693 468 1HG PRO 64 HG2 PRO 64 6.337 -8.973 12.970 469 2HG PRO 64 HG3 PRO 64 7.961 -8.790 12.287 470 1HD PRO 64 HD2 PRO 64 5.586 -6.992 12.051 471 2HD PRO 64 HD3 PRO 64 7.305 -6.579 12.203 472 H PHE 65 HN PHE 65 5.512 -7.565 7.562 473 HA PHE 65 HA PHE 65 2.707 -7.669 8.154 474 1HB PHE 65 HB2 PHE 65 4.413 -6.504 6.118 475 2HB PHE 65 HB3 PHE 65 2.975 -7.240 5.413 476 HD1 PHE 65 HD1 PHE 65 4.286 -4.556 7.420 477 HD2 PHE 65 HD2 PHE 65 0.723 -6.414 6.057 478 HE1 PHE 65 HE1 PHE 65 3.030 -2.565 8.070 479 HE2 PHE 65 HE2 PHE 65 -0.559 -4.415 6.694 480 HZ PHE 65 HZ PHE 65 0.479 -2.529 7.607 481 H LYS 66 HN LYS 66 1.162 -9.007 7.333 482 HA LYS 66 HA LYS 66 1.923 -11.637 6.596 483 1HB LYS 66 HB2 LYS 66 -0.764 -10.268 6.561 484 2HB LYS 66 HB3 LYS 66 -0.533 -11.978 6.237 485 1HG LYS 66 HG2 LYS 66 0.433 -12.241 8.491 486 2HG LYS 66 HG3 LYS 66 0.091 -10.540 8.806 487 1HD LYS 66 HD2 LYS 66 -1.971 -12.629 8.106 488 2HD LYS 66 HD3 LYS 66 -1.630 -12.047 9.735 489 1HE LYS 66 HE2 LYS 66 -2.600 -10.353 7.434 490 2HE LYS 66 HE3 LYS 66 -3.603 -10.963 8.748 491 1HZ LYS 66 HZ1 LYS 66 -2.881 -8.646 9.066 492 2HZ LYS 66 HZ2 LYS 66 -1.272 -9.162 9.117 493 3HZ LYS 66 HZ3 LYS 66 -2.359 -9.665 10.311 494 H SER 67 HN SER 67 3.292 -10.858 4.804 495 HA SER 67 HA SER 67 3.784 -10.720 2.615 496 1HB SER 67 HB2 SER 67 1.072 -11.986 2.242 497 2HB SER 67 HB3 SER 67 2.373 -11.948 1.053 498 HG SER 67 HG SER 67 3.644 -13.082 2.697 499 H ALA 68 HN ALA 68 3.277 -9.729 0.553 500 HA ALA 68 HA ALA 68 2.505 -7.098 0.750 501 1HB ALA 68 HB1 ALA 68 2.212 -7.317 -1.810 502 2HB ALA 68 HB2 ALA 68 3.799 -7.615 -1.095 503 3HB ALA 68 HB3 ALA 68 2.771 -8.970 -1.559 504 H GLU 69 HN GLU 69 0.496 -9.889 0.277 505 HA GLU 69 HA GLU 69 -1.744 -8.672 -0.852 506 1HB GLU 69 HB2 GLU 69 -3.021 -10.563 0.067 507 2HB GLU 69 HB3 GLU 69 -1.538 -11.086 -0.720 508 1HG GLU 69 HG2 GLU 69 -0.485 -11.195 1.520 509 2HG GLU 69 HG3 GLU 69 -2.062 -10.838 2.216 510 H GLU 70 HN GLU 70 -1.014 -9.203 2.654 511 HA GLU 70 HA GLU 70 -3.379 -7.805 3.384 512 1HB GLU 70 HB2 GLU 70 -2.875 -8.209 5.596 513 2HB GLU 70 HB3 GLU 70 -2.099 -9.557 4.778 514 1HG GLU 70 HG2 GLU 70 -0.073 -8.941 5.451 515 2HG GLU 70 HG3 GLU 70 -0.364 -7.250 5.087 516 H VAL 71 HN VAL 71 -0.080 -6.880 2.850 517 HA VAL 71 HA VAL 71 -0.153 -4.368 4.117 518 HB VAL 71 HB VAL 71 1.443 -5.204 1.704 519 1HG1 VAL 71 HG11 VAL 71 2.419 -3.200 1.712 520 2HG1 VAL 71 HG12 VAL 71 1.157 -2.663 2.820 521 3HG1 VAL 71 HG13 VAL 71 2.685 -3.272 3.454 522 1HG2 VAL 71 HG21 VAL 71 2.708 -5.071 4.341 523 2HG2 VAL 71 HG22 VAL 71 1.479 -6.323 4.179 524 3HG2 VAL 71 HG23 VAL 71 2.849 -6.287 3.080 525 H ALA 72 HN ALA 72 -1.051 -5.378 0.849 526 HA ALA 72 HA ALA 72 -1.549 -2.793 -0.172 527 1HB ALA 72 HB1 ALA 72 -1.520 -4.155 -1.952 528 2HB ALA 72 HB2 ALA 72 -2.044 -5.553 -1.012 529 3HB ALA 72 HB3 ALA 72 -3.233 -4.393 -1.604 530 H ASP 73 HN ASP 73 -3.779 -5.265 1.124 531 HA ASP 73 HA ASP 73 -6.084 -3.645 0.942 532 1HB ASP 73 HB2 ASP 73 -5.521 -6.001 2.759 533 2HB ASP 73 HB3 ASP 73 -7.111 -5.297 2.485 534 H THR 74 HN THR 74 -3.713 -4.104 3.498 535 HA THR 74 HA THR 74 -5.033 -2.821 5.598 536 HB THR 74 HB THR 74 -2.074 -2.970 4.981 537 HG1 THR 74 HG1 THR 74 -3.346 -4.948 5.423 538 1HG2 THR 74 HG21 THR 74 -1.675 -2.410 7.310 539 2HG2 THR 74 HG22 THR 74 -3.408 -2.231 7.588 540 3HG2 THR 74 HG23 THR 74 -2.564 -1.108 6.521 541 H ILE 75 HN ILE 75 -3.003 -1.539 3.014 542 HA ILE 75 HA ILE 75 -2.885 1.123 3.891 543 HB ILE 75 HB ILE 75 -2.643 -0.108 1.153 544 1HG1 ILE 75 HG12 ILE 75 -0.610 1.103 3.037 545 2HG1 ILE 75 HG13 ILE 75 -0.880 -0.618 2.796 546 1HG2 ILE 75 HG21 ILE 75 -1.437 2.384 1.027 547 2HG2 ILE 75 HG22 ILE 75 -2.941 1.898 0.249 548 3HG2 ILE 75 HG23 ILE 75 -2.981 2.683 1.825 549 1HD1 ILE 75 HD11 ILE 75 0.088 1.324 0.713 550 2HD1 ILE 75 HD12 ILE 75 1.077 0.154 1.587 551 3HD1 ILE 75 HD13 ILE 75 -0.173 -0.405 0.475 552 H VAL 76 HN VAL 76 -5.040 -0.370 1.462 553 HA VAL 76 HA VAL 76 -6.553 1.904 0.925 554 HB VAL 76 HB VAL 76 -8.421 0.219 0.333 555 1HG1 VAL 76 HG11 VAL 76 -7.444 0.905 -1.572 556 2HG1 VAL 76 HG12 VAL 76 -5.819 0.735 -0.910 557 3HG1 VAL 76 HG13 VAL 76 -6.668 -0.680 -1.537 558 1HG2 VAL 76 HG21 VAL 76 -8.032 -1.789 1.319 559 2HG2 VAL 76 HG22 VAL 76 -7.095 -2.049 -0.155 560 3HG2 VAL 76 HG23 VAL 76 -6.286 -1.568 1.331 561 H ASN 77 HN ASN 77 -7.096 -0.572 3.422 562 HA ASN 77 HA ASN 77 -9.579 0.411 4.295 563 1HB ASN 77 HB2 ASN 77 -7.463 -1.139 5.793 564 2HB ASN 77 HB3 ASN 77 -9.081 -0.825 6.413 565 1HD2 ASN 77 HD21 ASN 77 -7.287 -3.128 5.090 566 2HD2 ASN 77 HD22 ASN 77 -8.485 -4.016 4.219 567 H LYS 78 HN LYS 78 -6.333 0.977 5.687 568 HA LYS 78 HA LYS 78 -7.301 2.879 7.575 569 1HB LYS 78 HB2 LYS 78 -4.492 2.282 6.641 570 2HB LYS 78 HB3 LYS 78 -4.903 3.282 8.029 571 1HG LYS 78 HG2 LYS 78 -5.935 1.369 9.124 572 2HG LYS 78 HG3 LYS 78 -5.574 0.361 7.723 573 1HD LYS 78 HD2 LYS 78 -3.189 0.694 8.078 574 2HD LYS 78 HD3 LYS 78 -3.526 1.754 9.448 575 1HE LYS 78 HE2 LYS 78 -4.245 -1.169 9.243 576 2HE LYS 78 HE3 LYS 78 -2.917 -0.494 10.186 577 1HZ LYS 78 HZ1 LYS 78 -4.575 0.762 11.474 578 2HZ LYS 78 HZ2 LYS 78 -4.783 -0.911 11.612 579 3HZ LYS 78 HZ3 LYS 78 -5.814 -0.012 10.619 580 H ALA 79 HN ALA 79 -5.606 3.146 4.476 581 HA ALA 79 HA ALA 79 -5.234 5.943 4.582 582 1HB ALA 79 HB1 ALA 79 -5.464 4.415 2.018 583 2HB ALA 79 HB2 ALA 79 -4.441 5.800 2.400 584 3HB ALA 79 HB3 ALA 79 -4.076 4.217 3.088 585 H GLY 80 HN GLY 80 -7.958 3.989 3.510 586 1HA GLY 80 HA1 GLY 80 -9.938 5.792 3.749 587 2HA GLY 80 HA2 GLY 80 -9.209 6.269 2.217 588 H LEU 81 HN LEU 81 -8.697 4.131 0.892 589 HA LEU 81 HA LEU 81 -11.174 3.262 -0.079 590 1HB LEU 81 HB2 LEU 81 -8.483 1.980 -0.489 591 2HB LEU 81 HB3 LEU 81 -9.875 1.854 -1.549 592 HG LEU 81 HG LEU 81 -8.496 4.475 -0.962 593 1HD1 LEU 81 HD11 LEU 81 -6.960 2.779 -2.016 594 2HD1 LEU 81 HD12 LEU 81 -8.067 2.723 -3.387 595 3HD1 LEU 81 HD13 LEU 81 -7.242 4.228 -2.980 596 1HD2 LEU 81 HD21 LEU 81 -10.728 3.565 -2.673 597 2HD2 LEU 81 HD22 LEU 81 -10.446 5.125 -1.900 598 3HD2 LEU 81 HD23 LEU 81 -9.605 4.717 -3.396 Start of MODEL 25 1 1H GLY -3 HT1 GLY -3 -21.741 12.749 2.260 2 2H GLY -3 HT2 GLY -3 -21.527 14.303 2.895 3 3H GLY -3 HT3 GLY -3 -21.131 12.948 3.826 4 1HA GLY -3 HA2 GLY -3 -19.722 14.032 1.466 5 2HA GLY -3 HA1 GLY -3 -19.084 13.757 3.080 6 H SER -2 HN SER -2 -17.501 12.310 2.789 7 HA SER -2 HA SER -2 -17.457 10.292 0.844 8 1HB SER -2 HB2 SER -2 -15.970 10.431 3.478 9 2HB SER -2 HB3 SER -2 -15.577 9.348 2.143 10 HG SER -2 HG SER -2 -14.686 11.764 2.492 11 H HIS -1 HN HIS -1 -18.119 8.211 0.806 12 HA HIS -1 HA HIS -1 -18.742 6.640 3.052 13 1HB HIS -1 HB2 HIS -1 -20.633 8.183 3.304 14 2HB HIS -1 HB3 HIS -1 -21.137 7.852 1.651 15 HD1 HIS -1 HD1 HIS -1 -23.335 7.280 3.363 16 HD2 HIS -1 HD2 HIS -1 -20.255 4.513 3.001 17 HE1 HIS -1 HE1 HIS -1 -24.312 5.085 4.105 18 HE2 HIS -1 HE2 HIS -1 -22.456 3.410 3.794 19 H MET 1 HN MET 1 -20.074 7.218 -0.210 20 HA MET 1 HA MET 1 -19.972 4.379 -0.799 21 1HB MET 1 HB2 MET 1 -20.800 6.728 -2.517 22 2HB MET 1 HB3 MET 1 -20.962 5.036 -2.969 23 1HG MET 1 HG2 MET 1 -22.487 4.680 -1.095 24 2HG MET 1 HG3 MET 1 -22.328 6.377 -0.648 25 1HE MET 1 HE1 MET 1 -24.759 6.010 -0.487 26 2HE MET 1 HE2 MET 1 -25.792 6.717 -1.730 27 3HE MET 1 HE3 MET 1 -25.544 4.971 -1.676 28 H LYS 2 HN LYS 2 -18.496 3.366 -2.072 29 HA LYS 2 HA LYS 2 -16.841 4.633 -3.959 30 1HB LYS 2 HB2 LYS 2 -15.851 5.638 -1.928 31 2HB LYS 2 HB3 LYS 2 -15.487 4.034 -1.324 32 1HG LYS 2 HG2 LYS 2 -14.416 4.984 -3.953 33 2HG LYS 2 HG3 LYS 2 -13.619 5.391 -2.437 34 1HD LYS 2 HD2 LYS 2 -14.185 2.582 -3.389 35 2HD LYS 2 HD3 LYS 2 -12.644 3.412 -3.555 36 1HE LYS 2 HE2 LYS 2 -12.369 2.107 -1.646 37 2HE LYS 2 HE3 LYS 2 -12.746 3.706 -1.013 38 1HZ LYS 2 HZ1 LYS 2 -14.012 1.374 -0.375 39 2HZ LYS 2 HZ2 LYS 2 -15.095 2.134 -1.426 40 3HZ LYS 2 HZ3 LYS 2 -14.567 2.935 -0.033 41 H MET 3 HN MET 3 -15.981 3.155 -5.280 42 HA MET 3 HA MET 3 -14.988 0.638 -4.549 43 1HB MET 3 HB2 MET 3 -17.402 0.208 -4.076 44 2HB MET 3 HB3 MET 3 -17.760 0.540 -5.763 45 1HG MET 3 HG2 MET 3 -15.882 -1.636 -4.886 46 2HG MET 3 HG3 MET 3 -17.613 -1.884 -5.099 47 1HE MET 3 HE1 MET 3 -15.320 -3.597 -7.698 48 2HE MET 3 HE2 MET 3 -16.224 -3.739 -6.189 49 3HE MET 3 HE3 MET 3 -17.066 -3.838 -7.736 50 H GLY 4 HN GLY 4 -13.595 0.141 -6.125 51 1HA GLY 4 HA1 GLY 4 -14.062 -0.101 -8.810 52 2HA GLY 4 HA2 GLY 4 -13.652 1.593 -8.600 53 H VAL 5 HN VAL 5 -11.601 2.092 -8.834 54 HA VAL 5 HA VAL 5 -9.615 0.194 -9.347 55 HB VAL 5 HB VAL 5 -9.689 2.681 -10.006 56 1HG1 VAL 5 HG11 VAL 5 -8.530 4.232 -8.644 57 2HG1 VAL 5 HG12 VAL 5 -9.656 3.402 -7.568 58 3HG1 VAL 5 HG13 VAL 5 -7.947 2.947 -7.576 59 1HG2 VAL 5 HG21 VAL 5 -7.210 2.776 -10.218 60 2HG2 VAL 5 HG22 VAL 5 -7.142 1.284 -9.287 61 3HG2 VAL 5 HG23 VAL 5 -7.961 1.314 -10.850 62 H LYS 6 HN LYS 6 -10.883 0.942 -6.321 63 HA LYS 6 HA LYS 6 -8.768 1.283 -4.635 64 1HB LYS 6 HB2 LYS 6 -10.950 1.110 -3.687 65 2HB LYS 6 HB3 LYS 6 -11.185 -0.504 -4.340 66 1HG LYS 6 HG2 LYS 6 -9.500 -1.380 -2.813 67 2HG LYS 6 HG3 LYS 6 -9.237 0.240 -2.166 68 1HD LYS 6 HD2 LYS 6 -11.525 0.320 -1.363 69 2HD LYS 6 HD3 LYS 6 -11.856 -1.255 -2.087 70 1HE LYS 6 HE2 LYS 6 -10.204 -2.285 -0.612 71 2HE LYS 6 HE3 LYS 6 -9.851 -0.711 0.101 72 1HZ LYS 6 HZ1 LYS 6 -12.637 -1.291 0.193 73 2HZ LYS 6 HZ2 LYS 6 -11.581 -0.906 1.456 74 3HZ LYS 6 HZ3 LYS 6 -11.741 -2.511 0.949 75 H GLU 7 HN GLU 7 -9.908 -1.810 -5.942 76 HA GLU 7 HA GLU 7 -7.597 -3.223 -4.952 77 1HB GLU 7 HB2 GLU 7 -9.752 -4.375 -5.154 78 2HB GLU 7 HB3 GLU 7 -9.767 -4.084 -6.888 79 1HG GLU 7 HG2 GLU 7 -7.779 -5.479 -7.142 80 2HG GLU 7 HG3 GLU 7 -7.764 -5.771 -5.404 81 H ASP 8 HN ASP 8 -8.537 -1.626 -7.936 82 HA ASP 8 HA ASP 8 -6.684 -2.840 -9.658 83 1HB ASP 8 HB2 ASP 8 -8.124 -0.256 -9.753 84 2HB ASP 8 HB3 ASP 8 -6.986 -0.700 -11.013 85 H ILE 9 HN ILE 9 -6.447 0.243 -7.925 86 HA ILE 9 HA ILE 9 -3.797 0.841 -8.678 87 HB ILE 9 HB ILE 9 -5.639 1.785 -6.500 88 1HG1 ILE 9 HG12 ILE 9 -4.159 3.214 -8.713 89 2HG1 ILE 9 HG13 ILE 9 -5.843 2.710 -8.762 90 1HG2 ILE 9 HG21 ILE 9 -2.725 1.898 -6.380 91 2HG2 ILE 9 HG22 ILE 9 -3.500 3.473 -6.235 92 3HG2 ILE 9 HG23 ILE 9 -3.926 2.175 -5.121 93 1HD1 ILE 9 HD11 ILE 9 -6.241 4.197 -6.786 94 2HD1 ILE 9 HD12 ILE 9 -4.604 4.810 -7.015 95 3HD1 ILE 9 HD13 ILE 9 -5.810 5.024 -8.282 96 H ARG 10 HN ARG 10 -5.263 -0.725 -5.868 97 HA ARG 10 HA ARG 10 -2.922 -1.286 -4.428 98 1HB ARG 10 HB2 ARG 10 -5.514 -1.670 -3.915 99 2HB ARG 10 HB3 ARG 10 -5.148 -3.286 -4.500 100 1HG ARG 10 HG2 ARG 10 -4.962 -3.257 -2.120 101 2HG ARG 10 HG3 ARG 10 -3.341 -3.427 -2.809 102 1HD ARG 10 HD2 ARG 10 -3.862 -0.671 -2.590 103 2HD ARG 10 HD3 ARG 10 -4.375 -1.409 -1.077 104 HE ARG 10 HE ARG 10 -1.868 -2.439 -1.702 105 1HH1 ARG 10 HH12 ARG 10 -3.229 0.684 -0.967 106 2HH1 ARG 10 HH11 ARG 10 -1.837 1.232 -0.102 107 1HH2 ARG 10 HH22 ARG 10 -0.030 -1.721 -0.546 108 2HH2 ARG 10 HH21 ARG 10 -0.018 -0.125 0.124 109 H GLY 11 HN GLY 11 -4.284 -2.645 -7.310 110 1HA GLY 11 HA1 GLY 11 -2.921 -5.148 -7.285 111 2HA GLY 11 HA2 GLY 11 -3.552 -4.330 -8.714 112 H GLN 12 HN GLN 12 -2.225 -2.016 -8.737 113 HA GLN 12 HA GLN 12 0.294 -2.678 -9.818 114 1HB GLN 12 HB2 GLN 12 -0.818 -0.018 -8.901 115 2HB GLN 12 HB3 GLN 12 0.645 -0.213 -9.851 116 1HG GLN 12 HG2 GLN 12 -0.699 -1.233 -11.649 117 2HG GLN 12 HG3 GLN 12 -2.150 -0.929 -10.693 118 1HE2 GLN 12 HE21 GLN 12 -3.215 0.818 -11.249 119 2HE2 GLN 12 HE22 GLN 12 -2.542 2.255 -11.934 120 H ILE 13 HN ILE 13 -0.827 -1.787 -6.657 121 HA ILE 13 HA ILE 13 1.683 -1.085 -5.525 122 HB ILE 13 HB ILE 13 -0.920 -1.926 -4.257 123 1HG1 ILE 13 HG12 ILE 13 0.435 0.759 -4.570 124 2HG1 ILE 13 HG13 ILE 13 -0.988 0.208 -5.446 125 1HG2 ILE 13 HG21 ILE 13 0.607 -0.512 -2.384 126 2HG2 ILE 13 HG22 ILE 13 0.153 -2.218 -2.337 127 3HG2 ILE 13 HG23 ILE 13 1.686 -1.730 -3.063 128 1HD1 ILE 13 HD11 ILE 13 -2.117 0.011 -3.190 129 2HD1 ILE 13 HD12 ILE 13 -0.746 0.911 -2.543 130 3HD1 ILE 13 HD13 ILE 13 -1.778 1.641 -3.772 131 H ILE 14 HN ILE 14 -0.256 -4.073 -5.533 132 HA ILE 14 HA ILE 14 1.353 -5.621 -3.879 133 HB ILE 14 HB ILE 14 -0.460 -6.296 -6.168 134 1HG1 ILE 14 HG12 ILE 14 -1.446 -5.736 -3.999 135 2HG1 ILE 14 HG13 ILE 14 -1.730 -7.431 -4.383 136 1HG2 ILE 14 HG21 ILE 14 0.905 -8.078 -6.574 137 2HG2 ILE 14 HG22 ILE 14 1.566 -8.086 -4.939 138 3HG2 ILE 14 HG23 ILE 14 -0.037 -8.754 -5.245 139 1HD1 ILE 14 HD11 ILE 14 -1.142 -7.489 -2.157 140 2HD1 ILE 14 HD12 ILE 14 0.377 -7.864 -2.969 141 3HD1 ILE 14 HD13 ILE 14 0.091 -6.242 -2.342 142 H GLY 15 HN GLY 15 1.553 -5.146 -7.401 143 1HA GLY 15 HA1 GLY 15 3.864 -6.752 -7.775 144 2HA GLY 15 HA2 GLY 15 3.294 -5.497 -8.872 145 H ALA 16 HN ALA 16 3.352 -3.370 -7.008 146 HA ALA 16 HA ALA 16 5.994 -2.459 -7.305 147 1HB ALA 16 HB1 ALA 16 3.486 -1.425 -6.341 148 2HB ALA 16 HB2 ALA 16 4.799 -0.942 -5.265 149 3HB ALA 16 HB3 ALA 16 4.885 -0.556 -6.985 150 H LEU 17 HN LEU 17 4.402 -4.231 -4.781 151 HA LEU 17 HA LEU 17 6.409 -3.739 -2.777 152 1HB LEU 17 HB2 LEU 17 4.017 -5.560 -2.951 153 2HB LEU 17 HB3 LEU 17 5.132 -5.619 -1.602 154 HG LEU 17 HG LEU 17 3.691 -3.092 -2.390 155 1HD1 LEU 17 HD11 LEU 17 1.847 -4.310 -1.836 156 2HD1 LEU 17 HD12 LEU 17 2.748 -5.420 -0.805 157 3HD1 LEU 17 HD13 LEU 17 2.350 -3.804 -0.225 158 1HD2 LEU 17 HD21 LEU 17 4.423 -3.559 0.402 159 2HD2 LEU 17 HD22 LEU 17 5.804 -3.518 -0.694 160 3HD2 LEU 17 HD23 LEU 17 4.694 -2.151 -0.627 161 H ALA 18 HN ALA 18 5.705 -6.082 -5.229 162 HA ALA 18 HA ALA 18 7.223 -8.256 -4.355 163 1HB ALA 18 HB1 ALA 18 5.654 -8.139 -6.345 164 2HB ALA 18 HB2 ALA 18 7.003 -7.439 -7.240 165 3HB ALA 18 HB3 ALA 18 7.138 -9.065 -6.569 166 H GLY 19 HN GLY 19 9.360 -8.745 -4.342 167 1HA GLY 19 HA1 GLY 19 11.565 -8.487 -5.374 168 2HA GLY 19 HA2 GLY 19 11.200 -6.778 -5.559 169 H ALA 20 HN ALA 20 10.046 -6.514 -2.898 170 HA ALA 20 HA ALA 20 12.227 -5.636 -1.444 171 1HB ALA 20 HB1 ALA 20 10.759 -5.194 0.263 172 2HB ALA 20 HB2 ALA 20 9.650 -5.331 -1.101 173 3HB ALA 20 HB3 ALA 20 9.849 -6.684 0.013 174 H ASP 21 HN ASP 21 12.396 -6.540 0.995 175 HA ASP 21 HA ASP 21 13.951 -8.884 0.864 176 1HB ASP 21 HB2 ASP 21 12.772 -7.212 3.072 177 2HB ASP 21 HB3 ASP 21 13.571 -8.743 3.462 178 H PHE 22 HN PHE 22 12.021 -9.564 3.530 179 HA PHE 22 HA PHE 22 10.915 -11.864 2.322 180 1HB PHE 22 HB2 PHE 22 9.819 -12.298 4.389 181 2HB PHE 22 HB3 PHE 22 11.291 -11.469 4.843 182 HD1 PHE 22 HD1 PHE 22 10.733 -10.457 6.891 183 HD2 PHE 22 HD2 PHE 22 8.117 -9.998 3.589 184 HE1 PHE 22 HE1 PHE 22 9.436 -8.876 8.206 185 HE2 PHE 22 HE2 PHE 22 6.789 -8.391 4.896 186 HZ PHE 22 HZ PHE 22 7.493 -7.791 7.189 187 HA PRO 23 HA PRO 23 7.231 -10.258 0.541 188 1HB PRO 23 HB2 PRO 23 5.019 -11.182 1.778 189 2HB PRO 23 HB3 PRO 23 6.040 -12.200 0.766 190 1HG PRO 23 HG2 PRO 23 5.965 -11.966 3.748 191 2HG PRO 23 HG3 PRO 23 6.086 -13.421 2.740 192 1HD PRO 23 HD2 PRO 23 8.224 -12.281 3.949 193 2HD PRO 23 HD3 PRO 23 8.352 -13.152 2.408 194 H ILE 24 HN ILE 24 8.267 -8.252 1.904 195 HA ILE 24 HA ILE 24 7.315 -6.086 2.158 196 HB ILE 24 HB ILE 24 5.223 -7.475 3.804 197 1HG1 ILE 24 HG12 ILE 24 4.939 -7.785 1.410 198 2HG1 ILE 24 HG13 ILE 24 3.732 -6.636 1.987 199 1HG2 ILE 24 HG21 ILE 24 4.492 -4.813 3.232 200 2HG2 ILE 24 HG22 ILE 24 4.807 -5.539 4.804 201 3HG2 ILE 24 HG23 ILE 24 6.115 -4.771 3.914 202 1HD1 ILE 24 HD11 ILE 24 6.038 -6.242 0.194 203 2HD1 ILE 24 HD12 ILE 24 4.432 -5.518 0.167 204 3HD1 ILE 24 HD13 ILE 24 5.646 -4.925 1.299 205 H ASN 25 HN ASN 25 9.569 -6.387 3.234 206 HA ASN 25 HA ASN 25 9.777 -6.606 6.063 207 1HB ASN 25 HB2 ASN 25 11.520 -5.596 3.869 208 2HB ASN 25 HB3 ASN 25 11.908 -5.085 5.510 209 1HD2 ASN 25 HD21 ASN 25 10.437 -8.155 5.043 210 2HD2 ASN 25 HD22 ASN 25 11.841 -9.108 5.361 211 H SER 26 HN SER 26 7.734 -5.104 6.320 212 HA SER 26 HA SER 26 6.879 -3.130 7.083 213 1HB SER 26 HB2 SER 26 8.279 -1.735 8.422 214 2HB SER 26 HB3 SER 26 8.898 -3.371 8.631 215 HG SER 26 HG SER 26 9.970 -1.289 7.051 216 HA PRO 27 HA PRO 27 6.740 -0.399 3.706 217 1HB PRO 27 HB2 PRO 27 7.013 1.889 5.597 218 2HB PRO 27 HB3 PRO 27 5.802 1.618 4.338 219 1HG PRO 27 HG2 PRO 27 5.225 1.229 6.921 220 2HG PRO 27 HG3 PRO 27 4.559 0.179 5.658 221 1HD PRO 27 HD2 PRO 27 6.731 -0.362 7.621 222 2HD PRO 27 HD3 PRO 27 5.558 -1.479 6.891 223 H GLU 28 HN GLU 28 9.232 0.294 6.097 224 HA GLU 28 HA GLU 28 10.828 1.993 4.601 225 1HB GLU 28 HB2 GLU 28 11.784 -0.216 6.432 226 2HB GLU 28 HB3 GLU 28 12.697 1.211 5.960 227 1HG GLU 28 HG2 GLU 28 10.160 1.201 7.582 228 2HG GLU 28 HG3 GLU 28 11.793 1.419 8.211 229 H GLU 29 HN GLU 29 11.097 -1.571 4.780 230 HA GLU 29 HA GLU 29 12.997 -1.730 2.667 231 1HB GLU 29 HB2 GLU 29 12.703 -3.339 4.544 232 2HB GLU 29 HB3 GLU 29 11.202 -3.847 3.744 233 1HG GLU 29 HG2 GLU 29 13.117 -5.328 3.230 234 2HG GLU 29 HG3 GLU 29 12.438 -4.553 1.798 235 H LEU 30 HN LEU 30 9.612 -2.919 2.873 236 HA LEU 30 HA LEU 30 9.361 -3.764 0.277 237 1HB LEU 30 HB2 LEU 30 6.994 -3.584 0.545 238 2HB LEU 30 HB3 LEU 30 7.668 -4.029 2.100 239 HG LEU 30 HG LEU 30 7.599 -1.467 2.564 240 1HD1 LEU 30 HD11 LEU 30 6.586 -0.150 1.102 241 2HD1 LEU 30 HD12 LEU 30 6.506 -1.514 -0.011 242 3HD1 LEU 30 HD13 LEU 30 5.160 -1.190 1.084 243 1HD2 LEU 30 HD21 LEU 30 6.315 -2.959 3.874 244 2HD2 LEU 30 HD22 LEU 30 5.209 -1.706 3.315 245 3HD2 LEU 30 HD23 LEU 30 5.211 -3.287 2.538 246 H MET 31 HN MET 31 9.053 -0.489 1.570 247 HA MET 31 HA MET 31 8.287 0.753 -0.863 248 1HB MET 31 HB2 MET 31 9.600 1.798 1.634 249 2HB MET 31 HB3 MET 31 9.391 2.817 0.230 250 1HG MET 31 HG2 MET 31 6.962 2.354 0.317 251 2HG MET 31 HG3 MET 31 7.228 1.507 1.841 252 1HE MET 31 HE1 MET 31 7.864 2.955 4.246 253 2HE MET 31 HE2 MET 31 9.324 2.912 3.256 254 3HE MET 31 HE3 MET 31 8.796 4.428 3.985 255 H ALA 32 HN ALA 32 11.357 -0.192 0.598 256 HA ALA 32 HA ALA 32 12.983 1.237 -1.270 257 1HB ALA 32 HB1 ALA 32 13.819 0.476 0.899 258 2HB ALA 32 HB2 ALA 32 13.669 -1.199 0.366 259 3HB ALA 32 HB3 ALA 32 14.812 -0.118 -0.431 260 H ALA 33 HN ALA 33 11.300 -1.779 -1.339 261 HA ALA 33 HA ALA 33 12.761 -3.026 -3.423 262 1HB ALA 33 HB1 ALA 33 9.891 -3.621 -2.918 263 2HB ALA 33 HB2 ALA 33 11.227 -4.714 -3.276 264 3HB ALA 33 HB3 ALA 33 11.092 -3.983 -1.677 265 H LEU 34 HN LEU 34 9.775 -1.107 -3.382 266 HA LEU 34 HA LEU 34 8.742 -1.427 -5.820 267 1HB LEU 34 HB2 LEU 34 9.127 1.101 -4.268 268 2HB LEU 34 HB3 LEU 34 8.344 1.135 -5.835 269 HG LEU 34 HG LEU 34 6.686 -0.536 -4.970 270 1HD1 LEU 34 HD11 LEU 34 7.618 -1.619 -3.180 271 2HD1 LEU 34 HD12 LEU 34 8.312 -0.143 -2.513 272 3HD1 LEU 34 HD13 LEU 34 6.583 -0.446 -2.365 273 1HD2 LEU 34 HD21 LEU 34 5.971 1.717 -5.058 274 2HD2 LEU 34 HD22 LEU 34 5.507 1.109 -3.472 275 3HD2 LEU 34 HD23 LEU 34 6.919 2.149 -3.638 276 HA PRO 35 HA PRO 35 11.582 -0.893 -9.121 277 1HB PRO 35 HB2 PRO 35 9.804 0.545 -10.784 278 2HB PRO 35 HB3 PRO 35 10.066 -1.200 -10.766 279 1HG PRO 35 HG2 PRO 35 7.935 0.411 -9.447 280 2HG PRO 35 HG3 PRO 35 7.849 -1.219 -10.140 281 1HD PRO 35 HD2 PRO 35 7.908 -0.856 -7.503 282 2HD PRO 35 HD3 PRO 35 8.799 -2.200 -8.255 283 H ASN 36 HN ASN 36 9.776 1.902 -7.974 284 HA ASN 36 HA ASN 36 11.383 3.840 -9.302 285 1HB ASN 36 HB2 ASN 36 9.218 4.531 -8.734 286 2HB ASN 36 HB3 ASN 36 9.359 3.930 -7.087 287 1HD2 ASN 36 HD21 ASN 36 9.304 5.515 -5.723 288 2HD2 ASN 36 HD22 ASN 36 10.078 7.046 -5.888 289 H GLY 37 HN GLY 37 11.693 2.094 -6.321 290 1HA GLY 37 HA1 GLY 37 13.938 1.943 -5.387 291 2HA GLY 37 HA2 GLY 37 14.134 3.652 -5.745 292 HA PRO 38 HA PRO 38 12.734 4.606 -1.682 293 1HB PRO 38 HB2 PRO 38 11.245 6.845 -1.973 294 2HB PRO 38 HB3 PRO 38 12.999 6.839 -2.189 295 1HG PRO 38 HG2 PRO 38 10.832 6.794 -4.243 296 2HG PRO 38 HG3 PRO 38 12.364 7.686 -4.249 297 1HD PRO 38 HD2 PRO 38 11.964 5.355 -5.629 298 2HD PRO 38 HD3 PRO 38 13.552 5.885 -5.041 299 H ASP 39 HN ASP 39 9.980 5.193 -3.878 300 HA ASP 39 HA ASP 39 8.356 3.168 -3.121 301 1HB ASP 39 HB2 ASP 39 6.761 4.404 -1.621 302 2HB ASP 39 HB3 ASP 39 8.262 3.910 -0.867 303 H THR 40 HN THR 40 7.587 3.248 -5.201 304 HA THR 40 HA THR 40 6.598 5.713 -6.325 305 HB THR 40 HB THR 40 7.618 4.102 -7.834 306 HG1 THR 40 HG1 THR 40 5.810 3.952 -9.339 307 1HG2 THR 40 HG21 THR 40 7.065 2.032 -6.686 308 2HG2 THR 40 HG22 THR 40 6.504 1.968 -8.355 309 3HG2 THR 40 HG23 THR 40 5.357 2.269 -7.050 310 H THR 41 HN THR 41 4.521 6.404 -6.404 311 HA THR 41 HA THR 41 2.528 4.747 -5.043 312 HB THR 41 HB THR 41 2.625 6.929 -4.103 313 HG1 THR 41 HG1 THR 41 0.490 7.721 -4.688 314 1HG2 THR 41 HG21 THR 41 1.907 8.823 -5.876 315 2HG2 THR 41 HG22 THR 41 2.879 7.770 -6.907 316 3HG2 THR 41 HG23 THR 41 3.578 8.459 -5.441 317 H CYS 42 HN CYS 42 1.054 3.691 -6.129 318 HA CYS 42 HA CYS 42 0.824 3.896 -8.966 319 1HB CYS 42 HB2 CYS 42 -1.012 2.446 -7.053 320 2HB CYS 42 HB3 CYS 42 -0.800 2.120 -8.771 321 HG CYS 42 HG CYS 42 1.876 1.823 -6.699 322 H LYS 43 HN LYS 43 0.378 6.317 -8.607 323 HA LYS 43 HA LYS 43 -2.245 7.086 -7.789 324 1HB LYS 43 HB2 LYS 43 -1.603 9.310 -8.674 325 2HB LYS 43 HB3 LYS 43 -0.419 8.649 -7.552 326 1HG LYS 43 HG2 LYS 43 1.016 8.008 -9.392 327 2HG LYS 43 HG3 LYS 43 -0.191 8.555 -10.556 328 1HD LYS 43 HD2 LYS 43 1.158 10.327 -8.522 329 2HD LYS 43 HD3 LYS 43 1.655 10.177 -10.208 330 1HE LYS 43 HE2 LYS 43 -0.546 10.973 -10.924 331 2HE LYS 43 HE3 LYS 43 -1.043 11.121 -9.240 332 1HZ LYS 43 HZ1 LYS 43 0.676 12.841 -10.823 333 2HZ LYS 43 HZ2 LYS 43 1.180 12.579 -9.230 334 3HZ LYS 43 HZ3 LYS 43 -0.352 13.225 -9.535 335 H SER 44 HN SER 44 -3.934 7.861 -9.028 336 HA SER 44 HA SER 44 -3.860 7.696 -11.910 337 1HB SER 44 HB2 SER 44 -5.672 5.865 -10.316 338 2HB SER 44 HB3 SER 44 -5.722 6.082 -12.066 339 HG SER 44 HG SER 44 -3.701 4.896 -10.491 340 H GLY 45 HN GLY 45 -5.150 9.231 -12.735 341 1HA GLY 45 HA1 GLY 45 -6.720 10.901 -12.856 342 2HA GLY 45 HA2 GLY 45 -7.698 9.916 -11.778 343 H ASP 46 HN ASP 46 -4.580 11.559 -11.324 344 HA ASP 46 HA ASP 46 -3.960 13.300 -9.981 345 1HB ASP 46 HB2 ASP 46 -6.138 14.371 -10.461 346 2HB ASP 46 HB3 ASP 46 -6.858 13.472 -9.132 347 H VAL 47 HN VAL 47 -6.161 10.913 -8.560 348 HA VAL 47 HA VAL 47 -5.270 11.202 -5.896 349 HB VAL 47 HB VAL 47 -6.449 8.737 -7.190 350 1HG1 VAL 47 HG11 VAL 47 -7.039 9.331 -4.381 351 2HG1 VAL 47 HG12 VAL 47 -6.614 7.804 -5.155 352 3HG1 VAL 47 HG13 VAL 47 -5.349 8.949 -4.706 353 1HG2 VAL 47 HG21 VAL 47 -8.555 9.580 -6.925 354 2HG2 VAL 47 HG22 VAL 47 -8.082 10.650 -5.604 355 3HG2 VAL 47 HG23 VAL 47 -7.680 11.072 -7.268 356 H GLU 48 HN GLU 48 -3.595 10.329 -4.800 357 HA GLU 48 HA GLU 48 -1.892 8.373 -6.198 358 1HB GLU 48 HB2 GLU 48 -0.798 10.493 -4.356 359 2HB GLU 48 HB3 GLU 48 0.077 9.470 -5.486 360 1HG GLU 48 HG2 GLU 48 -0.941 10.655 -7.358 361 2HG GLU 48 HG3 GLU 48 -1.823 11.681 -6.231 362 H LEU 49 HN LEU 49 -1.324 6.625 -5.021 363 HA LEU 49 HA LEU 49 -1.604 6.735 -2.108 364 1HB LEU 49 HB2 LEU 49 -2.929 4.754 -3.942 365 2HB LEU 49 HB3 LEU 49 -2.615 4.386 -2.256 366 HG LEU 49 HG LEU 49 -4.888 5.102 -2.463 367 1HD1 LEU 49 HD11 LEU 49 -3.238 7.338 -1.295 368 2HD1 LEU 49 HD12 LEU 49 -4.929 6.989 -0.937 369 3HD1 LEU 49 HD13 LEU 49 -3.675 5.840 -0.474 370 1HD2 LEU 49 HD21 LEU 49 -4.435 7.849 -3.287 371 2HD2 LEU 49 HD22 LEU 49 -3.985 6.687 -4.534 372 3HD2 LEU 49 HD23 LEU 49 -5.616 6.673 -3.863 373 H LYS 50 HN LYS 50 -0.074 5.697 -1.014 374 HA LYS 50 HA LYS 50 1.419 3.500 -2.073 375 1HB LYS 50 HB2 LYS 50 3.621 4.668 -2.046 376 2HB LYS 50 HB3 LYS 50 2.540 5.262 -3.288 377 1HG LYS 50 HG2 LYS 50 2.024 7.212 -2.025 378 2HG LYS 50 HG3 LYS 50 2.880 6.583 -0.620 379 1HD LYS 50 HD2 LYS 50 4.985 6.809 -1.688 380 2HD LYS 50 HD3 LYS 50 4.232 7.129 -3.252 381 1HE LYS 50 HE2 LYS 50 3.954 8.896 -0.829 382 2HE LYS 50 HE3 LYS 50 5.123 9.162 -2.123 383 1HZ LYS 50 HZ1 LYS 50 3.189 10.511 -2.488 384 2HZ LYS 50 HZ2 LYS 50 2.164 9.172 -2.377 385 3HZ LYS 50 HZ3 LYS 50 3.236 9.308 -3.676 386 H ALA 51 HN ALA 51 3.689 3.714 -0.470 387 HA ALA 51 HA ALA 51 2.563 3.076 2.092 388 1HB ALA 51 HB1 ALA 51 4.292 1.658 1.589 389 2HB ALA 51 HB2 ALA 51 5.270 2.937 0.871 390 3HB ALA 51 HB3 ALA 51 5.110 2.830 2.623 391 H SER 52 HN SER 52 4.607 5.665 0.796 392 HA SER 52 HA SER 52 5.116 6.911 3.270 393 1HB SER 52 HB2 SER 52 6.466 7.437 1.337 394 2HB SER 52 HB3 SER 52 5.060 8.059 0.473 395 HG SER 52 HG SER 52 6.516 9.194 2.574 396 H ASP 53 HN ASP 53 2.585 7.454 0.835 397 HA ASP 53 HA ASP 53 1.319 9.558 2.279 398 1HB ASP 53 HB2 ASP 53 1.070 9.302 -0.163 399 2HB ASP 53 HB3 ASP 53 0.216 7.785 0.088 400 H ALA 54 HN ALA 54 0.434 6.145 1.730 401 HA ALA 54 HA ALA 54 -1.576 6.345 3.837 402 1HB ALA 54 HB1 ALA 54 -2.321 4.147 3.031 403 2HB ALA 54 HB2 ALA 54 -2.284 5.361 1.753 404 3HB ALA 54 HB3 ALA 54 -1.006 4.152 1.858 405 H GLY 55 HN GLY 55 1.200 4.278 2.994 406 1HA GLY 55 HA1 GLY 55 1.210 2.474 5.030 407 2HA GLY 55 HA2 GLY 55 2.684 3.152 4.363 408 H GLN 56 HN GLN 56 1.953 5.883 5.361 409 HA GLN 56 HA GLN 56 3.433 6.037 7.636 410 1HB GLN 56 HB2 GLN 56 2.042 8.078 8.229 411 2HB GLN 56 HB3 GLN 56 2.798 8.079 6.641 412 1HG GLN 56 HG2 GLN 56 0.729 7.608 5.578 413 2HG GLN 56 HG3 GLN 56 -0.055 7.263 7.120 414 1HE2 GLN 56 HE21 GLN 56 0.317 9.532 4.761 415 2HE2 GLN 56 HE22 GLN 56 -0.129 10.944 5.650 416 H VAL 57 HN VAL 57 0.094 5.088 7.387 417 HA VAL 57 HA VAL 57 -0.598 5.280 10.107 418 HB VAL 57 HB VAL 57 -2.502 3.853 9.533 419 1HG1 VAL 57 HG11 VAL 57 -1.681 6.230 8.033 420 2HG1 VAL 57 HG12 VAL 57 -2.933 5.278 7.230 421 3HG1 VAL 57 HG13 VAL 57 -3.199 5.881 8.867 422 1HG2 VAL 57 HG21 VAL 57 -2.604 3.208 7.016 423 2HG2 VAL 57 HG22 VAL 57 -0.845 3.295 7.105 424 3HG2 VAL 57 HG23 VAL 57 -1.725 2.173 8.141 425 H LEU 58 HN LEU 58 0.987 2.743 8.257 426 HA LEU 58 HA LEU 58 0.726 0.712 10.241 427 1HB LEU 58 HB2 LEU 58 2.892 0.894 8.150 428 2HB LEU 58 HB3 LEU 58 2.274 -0.550 8.930 429 HG LEU 58 HG LEU 58 0.731 1.184 7.000 430 1HD1 LEU 58 HD11 LEU 58 1.118 -1.505 6.127 431 2HD1 LEU 58 HD12 LEU 58 1.615 -0.002 5.353 432 3HD1 LEU 58 HD13 LEU 58 2.684 -0.790 6.511 433 1HD2 LEU 58 HD21 LEU 58 -0.974 0.272 8.183 434 2HD2 LEU 58 HD22 LEU 58 -0.654 -1.090 7.110 435 3HD2 LEU 58 HD23 LEU 58 -0.004 -1.086 8.749 436 H THR 59 HN THR 59 1.799 0.512 12.116 437 HA THR 59 HA THR 59 3.888 2.385 12.774 438 HB THR 59 HB THR 59 3.851 1.374 15.010 439 HG1 THR 59 HG1 THR 59 2.273 -0.307 15.383 440 1HG2 THR 59 HG21 THR 59 1.474 2.432 13.656 441 2HG2 THR 59 HG22 THR 59 2.243 2.940 15.160 442 3HG2 THR 59 HG23 THR 59 1.136 1.566 15.155 443 H ALA 60 HN ALA 60 5.671 1.211 14.315 444 HA ALA 60 HA ALA 60 7.427 -0.066 12.501 445 1HB ALA 60 HB1 ALA 60 8.653 -0.499 14.836 446 2HB ALA 60 HB2 ALA 60 8.653 1.068 14.026 447 3HB ALA 60 HB3 ALA 60 7.518 0.754 15.338 448 H ASP 61 HN ASP 61 5.545 -1.292 15.257 449 HA ASP 61 HA ASP 61 6.522 -3.857 15.396 450 1HB ASP 61 HB2 ASP 61 4.374 -4.422 16.415 451 2HB ASP 61 HB3 ASP 61 4.971 -2.889 17.018 452 H ASP 62 HN ASP 62 4.526 -2.428 12.962 453 HA ASP 62 HA ASP 62 3.380 -4.808 11.923 454 1HB ASP 62 HB2 ASP 62 3.857 -2.160 10.549 455 2HB ASP 62 HB3 ASP 62 2.791 -3.440 9.987 456 H PHE 63 HN PHE 63 6.587 -4.100 12.003 457 HA PHE 63 HA PHE 63 7.642 -4.248 9.521 458 1HB PHE 63 HB2 PHE 63 8.521 -5.128 12.158 459 2HB PHE 63 HB3 PHE 63 9.229 -6.081 10.859 460 HD1 PHE 63 HD1 PHE 63 8.374 -2.472 11.207 461 HD2 PHE 63 HD2 PHE 63 11.382 -5.385 10.462 462 HE1 PHE 63 HE1 PHE 63 10.005 -0.678 10.796 463 HE2 PHE 63 HE2 PHE 63 13.019 -3.599 10.048 464 HZ PHE 63 HZ PHE 63 12.365 -1.268 10.225 465 HA PRO 64 HA PRO 64 7.230 -8.999 9.084 466 1HB PRO 64 HB2 PRO 64 5.959 -10.409 11.009 467 2HB PRO 64 HB3 PRO 64 7.688 -10.046 11.081 468 1HG PRO 64 HG2 PRO 64 5.407 -8.681 12.461 469 2HG PRO 64 HG3 PRO 64 6.993 -9.139 13.109 470 1HD PRO 64 HD2 PRO 64 6.403 -6.610 12.314 471 2HD PRO 64 HD3 PRO 64 8.036 -7.297 12.202 472 H PHE 65 HN PHE 65 5.698 -7.677 7.723 473 HA PHE 65 HA PHE 65 2.900 -7.797 8.309 474 1HB PHE 65 HB2 PHE 65 4.609 -6.544 6.357 475 2HB PHE 65 HB3 PHE 65 3.237 -7.311 5.563 476 HD1 PHE 65 HD1 PHE 65 4.346 -4.500 7.517 477 HD2 PHE 65 HD2 PHE 65 0.945 -6.726 6.305 478 HE1 PHE 65 HE1 PHE 65 2.895 -2.609 8.122 479 HE2 PHE 65 HE2 PHE 65 -0.520 -4.851 6.900 480 HZ PHE 65 HZ PHE 65 0.457 -2.783 7.812 481 H LYS 66 HN LYS 66 1.352 -9.103 7.476 482 HA LYS 66 HA LYS 66 2.065 -11.732 6.713 483 1HB LYS 66 HB2 LYS 66 -0.023 -11.104 7.945 484 2HB LYS 66 HB3 LYS 66 -0.642 -10.430 6.444 485 1HG LYS 66 HG2 LYS 66 -0.493 -12.628 5.388 486 2HG LYS 66 HG3 LYS 66 0.105 -13.307 6.902 487 1HD LYS 66 HD2 LYS 66 -2.577 -11.977 6.518 488 2HD LYS 66 HD3 LYS 66 -2.299 -13.718 6.586 489 1HE LYS 66 HE2 LYS 66 -1.761 -11.732 8.792 490 2HE LYS 66 HE3 LYS 66 -3.087 -12.890 8.731 491 1HZ LYS 66 HZ1 LYS 66 -1.398 -14.676 8.700 492 2HZ LYS 66 HZ2 LYS 66 -1.372 -13.759 10.121 493 3HZ LYS 66 HZ3 LYS 66 -0.192 -13.511 8.935 494 H SER 67 HN SER 67 3.454 -10.965 4.905 495 HA SER 67 HA SER 67 3.919 -10.830 2.707 496 1HB SER 67 HB2 SER 67 1.199 -12.099 2.418 497 2HB SER 67 HB3 SER 67 2.431 -12.026 1.159 498 HG SER 67 HG SER 67 3.802 -13.160 2.741 499 H ALA 68 HN ALA 68 3.371 -9.850 0.631 500 HA ALA 68 HA ALA 68 2.622 -7.209 0.836 501 1HB ALA 68 HB1 ALA 68 3.839 -7.684 -1.055 502 2HB ALA 68 HB2 ALA 68 2.864 -9.098 -1.454 503 3HB ALA 68 HB3 ALA 68 2.220 -7.479 -1.726 504 H GLU 69 HN GLU 69 0.602 -10.001 0.278 505 HA GLU 69 HA GLU 69 -1.667 -8.767 -0.735 506 1HB GLU 69 HB2 GLU 69 -2.919 -10.679 0.243 507 2HB GLU 69 HB3 GLU 69 -1.511 -11.162 -0.692 508 1HG GLU 69 HG2 GLU 69 -0.264 -11.382 1.424 509 2HG GLU 69 HG3 GLU 69 -1.755 -11.021 2.289 510 H GLU 70 HN GLU 70 -0.815 -9.312 2.732 511 HA GLU 70 HA GLU 70 -3.184 -7.974 3.567 512 1HB GLU 70 HB2 GLU 70 -2.695 -8.618 5.667 513 2HB GLU 70 HB3 GLU 70 -1.565 -9.683 4.850 514 1HG GLU 70 HG2 GLU 70 0.269 -8.444 5.476 515 2HG GLU 70 HG3 GLU 70 -0.675 -6.966 5.671 516 H VAL 71 HN VAL 71 0.124 -6.996 3.071 517 HA VAL 71 HA VAL 71 -0.026 -4.462 4.280 518 HB VAL 71 HB VAL 71 1.644 -5.300 1.922 519 1HG1 VAL 71 HG11 VAL 71 1.293 -2.759 2.943 520 2HG1 VAL 71 HG12 VAL 71 2.752 -3.327 3.752 521 3HG1 VAL 71 HG13 VAL 71 2.670 -3.313 1.990 522 1HG2 VAL 71 HG21 VAL 71 2.865 -5.152 4.569 523 2HG2 VAL 71 HG22 VAL 71 1.627 -6.397 4.419 524 3HG2 VAL 71 HG23 VAL 71 3.005 -6.389 3.331 525 H ALA 72 HN ALA 72 -0.995 -5.618 1.113 526 HA ALA 72 HA ALA 72 -1.405 -3.065 -0.047 527 1HB ALA 72 HB1 ALA 72 -1.443 -4.438 -1.800 528 2HB ALA 72 HB2 ALA 72 -1.825 -5.834 -0.794 529 3HB ALA 72 HB3 ALA 72 -3.118 -4.784 -1.373 530 H ASP 73 HN ASP 73 -3.769 -5.471 1.144 531 HA ASP 73 HA ASP 73 -6.005 -3.766 0.951 532 1HB ASP 73 HB2 ASP 73 -5.582 -6.198 2.699 533 2HB ASP 73 HB3 ASP 73 -7.139 -5.435 2.388 534 H THR 74 HN THR 74 -3.864 -4.523 3.646 535 HA THR 74 HA THR 74 -5.204 -3.260 5.714 536 HB THR 74 HB THR 74 -2.236 -3.590 5.255 537 HG1 THR 74 HG1 THR 74 -2.602 -5.314 6.803 538 1HG2 THR 74 HG21 THR 74 -3.665 -2.847 7.810 539 2HG2 THR 74 HG22 THR 74 -2.618 -1.787 6.867 540 3HG2 THR 74 HG23 THR 74 -1.947 -3.216 7.651 541 H ILE 75 HN ILE 75 -2.770 -1.884 3.509 542 HA ILE 75 HA ILE 75 -2.729 0.673 4.663 543 HB ILE 75 HB ILE 75 -2.030 -0.225 1.869 544 1HG1 ILE 75 HG12 ILE 75 -0.310 0.485 4.255 545 2HG1 ILE 75 HG13 ILE 75 -0.685 -1.153 3.739 546 1HG2 ILE 75 HG21 ILE 75 -2.586 2.171 1.884 547 2HG2 ILE 75 HG22 ILE 75 -1.415 2.420 3.179 548 3HG2 ILE 75 HG23 ILE 75 -0.871 1.889 1.588 549 1HD1 ILE 75 HD11 ILE 75 1.564 -0.036 3.072 550 2HD1 ILE 75 HD12 ILE 75 0.690 -1.030 1.908 551 3HD1 ILE 75 HD13 ILE 75 0.591 0.729 1.817 552 H VAL 76 HN VAL 76 -4.519 -0.473 1.771 553 HA VAL 76 HA VAL 76 -5.768 1.926 1.150 554 HB VAL 76 HB VAL 76 -7.704 0.433 0.294 555 1HG1 VAL 76 HG11 VAL 76 -5.992 -0.503 -1.500 556 2HG1 VAL 76 HG12 VAL 76 -6.405 1.210 -1.398 557 3HG1 VAL 76 HG13 VAL 76 -4.913 0.619 -0.672 558 1HG2 VAL 76 HG21 VAL 76 -5.722 -1.615 1.224 559 2HG2 VAL 76 HG22 VAL 76 -7.469 -1.575 1.451 560 3HG2 VAL 76 HG23 VAL 76 -6.793 -1.932 -0.138 561 H ASN 77 HN ASN 77 -6.837 -0.575 3.428 562 HA ASN 77 HA ASN 77 -9.333 0.496 4.052 563 1HB ASN 77 HB2 ASN 77 -7.428 -1.044 5.826 564 2HB ASN 77 HB3 ASN 77 -9.121 -0.749 6.195 565 1HD2 ASN 77 HD21 ASN 77 -9.131 -1.108 2.956 566 2HD2 ASN 77 HD22 ASN 77 -9.384 -2.810 2.845 567 H LYS 78 HN LYS 78 -6.204 1.058 5.661 568 HA LYS 78 HA LYS 78 -7.265 2.955 7.505 569 1HB LYS 78 HB2 LYS 78 -4.417 2.402 6.671 570 2HB LYS 78 HB3 LYS 78 -4.895 3.382 8.052 571 1HG LYS 78 HG2 LYS 78 -5.923 1.445 9.099 572 2HG LYS 78 HG3 LYS 78 -5.509 0.453 7.699 573 1HD LYS 78 HD2 LYS 78 -3.137 0.829 8.123 574 2HD LYS 78 HD3 LYS 78 -3.536 1.854 9.503 575 1HE LYS 78 HE2 LYS 78 -4.197 -1.076 9.222 576 2HE LYS 78 HE3 LYS 78 -2.904 -0.400 10.212 577 1HZ LYS 78 HZ1 LYS 78 -4.596 0.788 11.499 578 2HZ LYS 78 HZ2 LYS 78 -4.820 -0.887 11.564 579 3HZ LYS 78 HZ3 LYS 78 -5.815 0.061 10.578 580 H ALA 79 HN ALA 79 -5.491 3.208 4.455 581 HA ALA 79 HA ALA 79 -5.110 6.003 4.547 582 1HB ALA 79 HB1 ALA 79 -5.304 4.865 1.866 583 2HB ALA 79 HB2 ALA 79 -3.971 5.708 2.654 584 3HB ALA 79 HB3 ALA 79 -4.222 3.987 2.945 585 H GLY 80 HN GLY 80 -7.827 4.062 3.421 586 1HA GLY 80 HA1 GLY 80 -9.792 5.885 3.605 587 2HA GLY 80 HA2 GLY 80 -9.017 6.355 2.096 588 H LEU 81 HN LEU 81 -8.501 4.203 0.779 589 HA LEU 81 HA LEU 81 -10.969 3.397 -0.260 590 1HB LEU 81 HB2 LEU 81 -8.341 1.973 -0.619 591 2HB LEU 81 HB3 LEU 81 -9.702 2.003 -1.726 592 HG LEU 81 HG LEU 81 -8.146 4.485 -1.002 593 1HD1 LEU 81 HD11 LEU 81 -6.516 3.117 -2.014 594 2HD1 LEU 81 HD12 LEU 81 -7.665 2.445 -3.170 595 3HD1 LEU 81 HD13 LEU 81 -7.136 4.121 -3.324 596 1HD2 LEU 81 HD21 LEU 81 -10.141 3.776 -3.145 597 2HD2 LEU 81 HD22 LEU 81 -10.262 5.026 -1.906 598 3HD2 LEU 81 HD23 LEU 81 -9.107 5.203 -3.227
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