NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
604703 | 5im8 | 30031 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LEU 1 H LEU 1 1.807 0.000 0.855 2 HA LEU 1 HA LEU 1 2.375 -1.020 -1.457 3 HB2 LEU 1 2HB LEU 1 0.521 1.226 -1.977 4 HB3 LEU 1 3HB LEU 1 1.891 1.059 -3.074 5 HG LEU 1 HG LEU 1 0.005 -1.215 -2.512 6 HD11 LEU 1 1HD1 LEU 1 -1.579 0.050 -3.478 7 HD12 LEU 1 2HD1 LEU 1 -0.719 -0.338 -4.968 8 HD13 LEU 1 3HD1 LEU 1 -0.411 1.191 -4.145 9 HD21 LEU 1 1HD2 LEU 1 2.220 -0.648 -4.410 10 HD22 LEU 1 2HD2 LEU 1 0.865 -1.624 -4.979 11 HD23 LEU 1 3HD2 LEU 1 1.797 -2.143 -3.574 12 H LYS 2 H LYS 2 4.294 -0.668 -0.183 13 HA LYS 2 HA LYS 2 5.450 2.002 -0.225 14 HB2 LYS 2 2HB LYS 2 5.784 -0.379 1.364 15 HB3 LYS 2 3HB LYS 2 7.341 0.155 0.746 16 HG2 LYS 2 2HG LYS 2 6.162 2.489 1.627 17 HG3 LYS 2 3HG LYS 2 5.679 1.290 2.831 18 HD2 LYS 2 2HD LYS 2 7.800 0.991 3.576 19 HD3 LYS 2 3HD LYS 2 8.509 1.228 1.977 20 HE2 LYS 2 2HE LYS 2 9.187 3.054 3.361 21 HE3 LYS 2 3HE LYS 2 8.008 3.663 2.200 22 HZ1 LYS 2 1HZ LYS 2 7.484 4.556 4.323 23 HZ2 LYS 2 2HZ LYS 2 7.544 3.035 5.062 24 HZ3 LYS 2 3HZ LYS 2 6.304 3.396 3.970 25 H GLU 3 H GLU 3 6.221 2.567 -2.175 26 HA GLU 3 HA GLU 3 8.028 0.671 -3.525 27 HB2 GLU 3 2HB GLU 3 5.703 1.710 -4.552 28 HB3 GLU 3 3HB GLU 3 6.913 2.818 -5.184 29 HG2 GLU 3 2HG GLU 3 7.874 1.243 -6.507 30 HG3 GLU 3 3HG GLU 3 7.458 -0.083 -5.423 31 H ASN 4 H ASN 4 9.258 2.229 -5.321 32 HA ASN 4 HA ASN 4 10.828 4.018 -3.624 33 HB2 ASN 4 2HB ASN 4 11.744 2.112 -5.201 34 HB3 ASN 4 3HB ASN 4 11.596 3.357 -6.439 35 HD21 ASN 4 1HD2 ASN 4 13.464 2.126 -3.910 36 HD22 ASN 4 2HD2 ASN 4 14.655 3.376 -3.854 37 H ASP 5 H ASP 5 8.185 4.743 -4.731 38 HA ASP 5 HA ASP 5 9.003 7.267 -5.954 39 HB2 ASP 5 2HB ASP 5 8.465 6.061 -7.917 40 HB3 ASP 5 3HB ASP 5 7.063 5.305 -7.165 41 H HIS 6 H HIS 6 5.998 5.499 -5.186 42 HA HIS 6 HA HIS 6 4.563 7.769 -4.370 43 HB2 HIS 6 2HB HIS 6 3.689 5.424 -4.975 44 HB3 HIS 6 3HB HIS 6 4.040 5.003 -3.301 45 HD1 HIS 6 HD1 HIS 6 2.060 7.673 -5.161 46 HD2 HIS 6 HD2 HIS 6 1.949 5.451 -1.652 47 HE1 HIS 6 HE1 HIS 6 -0.103 8.295 -4.040 48 H ALA 7 H ALA 7 6.486 5.435 -2.538 49 HA ALA 7 HA ALA 7 5.864 6.245 0.044 50 HB1 ALA 7 1HB ALA 7 7.789 5.106 0.753 51 HB2 ALA 7 2HB ALA 7 7.279 4.265 -0.711 52 HB3 ALA 7 3HB ALA 7 8.629 5.399 -0.770 53 H ARG 8 H ARG 8 8.501 7.405 -2.054 54 HA ARG 8 HA ARG 8 9.562 9.288 -0.286 55 HB2 ARG 8 2HB ARG 8 10.806 8.667 -2.236 56 HB3 ARG 8 3HB ARG 8 9.515 9.205 -3.302 57 HG2 ARG 8 2HG ARG 8 10.333 11.263 -3.366 58 HG3 ARG 8 3HG ARG 8 10.395 11.356 -1.605 59 HD2 ARG 8 2HD ARG 8 12.467 9.964 -3.292 60 HD3 ARG 8 3HD ARG 8 12.602 11.638 -2.754 61 HE ARG 8 HE ARG 8 12.129 9.886 -0.567 62 HH11 ARG 8 1HH1 ARG 8 15.901 10.655 -1.665 63 HH12 ARG 8 2HH1 ARG 8 14.600 10.976 -2.764 64 HH21 ARG 8 1HH2 ARG 8 15.463 9.791 0.411 65 HH22 ARG 8 2HH2 ARG 8 13.833 9.459 0.888 66 H PHE 9 H PHE 9 7.036 9.631 -2.751 67 HA PHE 9 HA PHE 9 6.629 12.385 -2.511 68 HB2 PHE 9 2HB PHE 9 5.237 10.124 -3.703 69 HB3 PHE 9 3HB PHE 9 4.118 11.329 -3.073 70 HD1 PHE 9 HD1 PHE 9 3.315 12.652 -4.760 71 HD2 PHE 9 HD2 PHE 9 7.422 11.535 -4.797 72 HE1 PHE 9 HE1 PHE 9 3.669 14.030 -6.768 73 HE2 PHE 9 HE2 PHE 9 7.783 12.911 -6.804 74 HZ PHE 9 HZ PHE 9 5.905 14.162 -7.792 75 H LEU 10 H LEU 10 5.282 9.686 -0.684 76 HA LEU 10 HA LEU 10 3.409 11.211 0.797 77 HB2 LEU 10 2HB LEU 10 4.111 8.516 0.548 78 HB3 LEU 10 3HB LEU 10 4.389 8.917 2.242 79 HG LEU 10 HG LEU 10 1.802 9.809 1.161 80 HD11 LEU 10 1HD1 LEU 10 1.432 7.863 0.082 81 HD12 LEU 10 2HD1 LEU 10 1.099 7.278 1.711 82 HD13 LEU 10 3HD1 LEU 10 2.679 6.999 0.981 83 HD21 LEU 10 1HD2 LEU 10 2.618 9.913 3.556 84 HD22 LEU 10 2HD2 LEU 10 2.424 8.161 3.599 85 HD23 LEU 10 3HD2 LEU 10 1.026 9.196 3.303 86 H GLN 11 H GLN 11 6.690 10.064 1.534 87 HA GLN 11 HA GLN 11 6.909 10.988 4.134 88 HB2 GLN 11 2HB GLN 11 8.894 10.553 1.935 89 HB3 GLN 11 3HB GLN 11 9.418 11.292 3.442 90 HG2 GLN 11 2HG GLN 11 7.837 8.932 3.936 91 HG3 GLN 11 3HG GLN 11 9.205 8.581 2.881 92 HE21 GLN 11 1HE2 GLN 11 8.390 10.250 5.894 93 HE22 GLN 11 2HE2 GLN 11 9.861 9.860 6.713 94 H THR 12 H THR 12 6.951 12.755 1.149 95 HA THR 12 HA THR 12 8.111 15.146 2.222 96 HB THR 12 HB THR 12 6.571 14.646 -0.329 97 HG1 THR 12 HG1 THR 12 9.322 15.274 -0.038 98 HG21 THR 12 1HG2 THR 12 7.666 17.148 0.860 99 HG22 THR 12 2HG2 THR 12 6.226 16.904 -0.129 100 HG23 THR 12 3HG2 THR 12 7.821 16.912 -0.880 101 H ALA 13 H ALA 13 4.811 14.367 1.101 102 HA ALA 13 HA ALA 13 3.534 16.673 1.898 103 HB1 ALA 13 1HB ALA 13 2.675 13.871 1.468 104 HB2 ALA 13 2HB ALA 13 1.559 14.938 2.322 105 HB3 ALA 13 3HB ALA 13 2.118 15.361 0.703 106 H LYS 14 H LYS 14 4.432 13.878 3.836 107 HA LYS 14 HA LYS 14 3.023 14.742 6.176 108 HB2 LYS 14 2HB LYS 14 3.747 12.348 5.541 109 HB3 LYS 14 3HB LYS 14 5.325 12.805 6.167 110 HG2 LYS 14 2HG LYS 14 3.057 13.384 7.943 111 HG3 LYS 14 3HG LYS 14 3.373 11.674 7.642 112 HD2 LYS 14 2HD LYS 14 5.670 13.449 8.304 113 HD3 LYS 14 3HD LYS 14 4.573 12.972 9.603 114 HE2 LYS 14 2HE LYS 14 5.714 10.928 7.734 115 HE3 LYS 14 3HE LYS 14 6.656 11.515 9.104 116 HZ1 LYS 14 1HZ LYS 14 3.912 10.458 9.431 117 HZ2 LYS 14 2HZ LYS 14 5.100 10.677 10.615 118 HZ3 LYS 14 3HZ LYS 14 5.269 9.447 9.467 119 H ASN 15 H ASN 15 6.424 14.767 5.150 120 HA ASN 15 HA ASN 15 7.516 15.883 7.464 121 HB2 ASN 15 2HB ASN 15 8.888 14.901 5.685 122 HB3 ASN 15 3HB ASN 15 8.434 16.210 4.598 123 HD21 ASN 15 1HD2 ASN 15 9.508 18.099 4.684 124 HD22 ASN 15 2HD2 ASN 15 10.809 18.432 5.771 125 H ILE 16 H ILE 16 5.597 17.301 4.987 126 HA ILE 16 HA ILE 16 6.423 20.010 5.407 127 HB ILE 16 HB ILE 16 3.951 18.890 4.084 128 HG12 ILE 16 2HG1 ILE 16 6.173 20.255 2.630 129 HG13 ILE 16 3HG1 ILE 16 6.425 18.599 3.171 130 HG21 ILE 16 1HG2 ILE 16 3.784 21.182 3.079 131 HG22 ILE 16 2HG2 ILE 16 3.422 21.095 4.802 132 HG23 ILE 16 3HG2 ILE 16 4.983 21.712 4.259 133 HD11 ILE 16 1HD1 ILE 16 5.268 17.822 1.458 134 HD12 ILE 16 2HD1 ILE 16 3.880 18.823 1.883 135 HD13 ILE 16 3HD1 ILE 16 5.148 19.470 0.843 136 H THR 17 H THR 17 3.453 18.220 6.243 137 HA THR 17 HA THR 17 2.493 20.326 7.936 138 HB THR 17 HB THR 17 1.377 17.596 8.250 139 HG1 THR 17 HG1 THR 17 1.142 19.093 5.832 140 HG21 THR 17 1HG2 THR 17 0.253 19.416 9.326 141 HG22 THR 17 2HG2 THR 17 -0.746 18.903 7.966 142 HG23 THR 17 3HG2 THR 17 0.240 20.359 7.837 143 H GLU 18 H GLU 18 4.694 17.776 8.331 144 HA GLU 18 HA GLU 18 4.249 17.433 11.171 145 HB2 GLU 18 2HB GLU 18 5.002 15.558 9.721 146 HB3 GLU 18 3HB GLU 18 6.514 16.412 9.450 147 HG2 GLU 18 2HG GLU 18 6.464 16.384 12.140 148 HG3 GLU 18 3HG GLU 18 5.589 14.894 11.791 149 H ARG 19 H ARG 19 6.514 19.086 9.046 150 HA ARG 19 HA ARG 19 8.321 19.870 11.103 151 HB2 ARG 19 2HB ARG 19 9.147 19.806 8.865 152 HB3 ARG 19 3HB ARG 19 7.863 20.862 8.292 153 HG2 ARG 19 2HG ARG 19 8.807 22.745 9.385 154 HG3 ARG 19 3HG ARG 19 9.955 21.734 10.266 155 HD2 ARG 19 2HD ARG 19 10.182 21.307 7.425 156 HD3 ARG 19 3HD ARG 19 10.350 23.019 7.813 157 HE ARG 19 HE ARG 19 11.921 21.416 9.552 158 HH11 ARG 19 1HH1 ARG 19 13.530 22.709 6.122 159 HH12 ARG 19 2HH1 ARG 19 11.809 22.704 6.320 160 HH21 ARG 19 1HH2 ARG 19 14.883 21.976 7.819 161 HH22 ARG 19 2HH2 ARG 19 14.189 21.417 9.303 162 H VAL 20 H VAL 20 5.447 21.283 9.673 163 HA VAL 20 HA VAL 20 5.752 23.869 10.818 164 HB VAL 20 HB VAL 20 4.312 23.555 8.892 165 HG11 VAL 20 1HG1 VAL 20 3.574 21.246 9.570 166 HG12 VAL 20 2HG1 VAL 20 2.419 22.019 10.657 167 HG13 VAL 20 3HG1 VAL 20 2.308 22.285 8.917 168 HG21 VAL 20 1HG2 VAL 20 2.828 24.405 11.375 169 HG22 VAL 20 2HG2 VAL 20 3.781 25.429 10.300 170 HG23 VAL 20 3HG2 VAL 20 2.275 24.712 9.728 171 H SER 21 H SER 21 3.942 20.973 11.774 172 HA SER 21 HA SER 21 2.618 22.030 13.988 173 HB2 SER 21 2HB SER 21 2.522 19.652 12.807 174 HB3 SER 21 3HB SER 21 3.623 19.221 14.115 175 HG SER 21 HG SER 21 1.026 20.338 14.364 176 H MET 22 H MET 22 5.766 20.380 13.823 177 HA MET 22 HA MET 22 6.391 20.480 16.538 178 HB2 MET 22 2HB MET 22 8.011 20.305 14.031 179 HB3 MET 22 3HB MET 22 8.835 20.565 15.562 180 HG2 MET 22 2HG MET 22 7.547 18.529 16.400 181 HG3 MET 22 3HG MET 22 7.180 18.221 14.704 182 HE1 MET 22 1HE MET 22 10.509 18.745 13.227 183 HE2 MET 22 2HE MET 22 10.012 17.067 13.010 184 HE3 MET 22 3HE MET 22 8.809 18.357 12.959 185 H ALA 23 H ALA 23 6.978 22.843 13.970 186 HA ALA 23 HA ALA 23 8.482 24.657 15.523 187 HB1 ALA 23 1HB ALA 23 8.575 25.897 13.651 188 HB2 ALA 23 2HB ALA 23 7.864 24.473 12.892 189 HB3 ALA 23 3HB ALA 23 6.833 25.816 13.386 190 H THR 24 H THR 24 5.072 24.866 14.483 191 HA THR 24 HA THR 24 4.358 27.093 15.968 192 HB THR 24 HB THR 24 2.359 24.894 15.698 193 HG1 THR 24 HG1 THR 24 3.069 24.636 13.695 194 HG21 THR 24 1HG2 THR 24 1.356 27.173 14.556 195 HG22 THR 24 2HG2 THR 24 2.425 27.820 15.801 196 HG23 THR 24 3HG2 THR 24 1.136 26.700 16.240 197 H ALA 25 H ALA 25 4.403 23.690 16.924 198 HA ALA 25 HA ALA 25 3.108 23.840 19.363 199 HB1 ALA 25 1HB ALA 25 4.805 21.948 19.984 200 HB2 ALA 25 2HB ALA 25 3.589 21.684 18.733 201 HB3 ALA 25 3HB ALA 25 5.249 22.070 18.281 202 H SER 26 H SER 26 6.559 24.351 18.675 203 HA SER 26 HA SER 26 7.333 24.865 21.334 204 HB2 SER 26 2HB SER 26 9.108 24.373 19.890 205 HB3 SER 26 3HB SER 26 8.539 25.494 18.653 206 HG SER 26 HG SER 26 10.258 25.934 20.668 207 H SER 27 H SER 27 6.366 27.030 18.699 208 HA SER 27 HA SER 27 6.804 29.452 20.050 209 HB2 SER 27 2HB SER 27 6.439 29.277 17.605 210 HB3 SER 27 3HB SER 27 4.749 28.870 17.903 211 HG SER 27 HG SER 27 5.357 31.174 17.457 212 H GLN 28 H GLN 28 4.456 27.045 20.523 213 HA GLN 28 HA GLN 28 2.721 26.858 21.985 214 HB2 GLN 28 2HB GLN 28 3.370 29.616 23.005 215 HB3 GLN 28 3HB GLN 28 2.602 28.289 23.867 216 HG2 GLN 28 2HG GLN 28 4.885 27.086 23.405 217 HG3 GLN 28 3HG GLN 28 5.474 28.740 23.246 218 HE21 GLN 28 1HE2 GLN 28 6.116 26.746 25.255 219 HE22 GLN 28 2HE2 GLN 28 5.690 27.437 26.780 220 H VAL 29 H VAL 29 2.044 27.566 19.480 221 HA VAL 29 HA VAL 29 -0.214 29.395 19.925 222 HB VAL 29 HB VAL 29 1.269 29.341 17.308 223 HG11 VAL 29 1HG1 VAL 29 0.038 31.270 16.779 224 HG12 VAL 29 2HG1 VAL 29 -1.126 30.186 17.543 225 HG13 VAL 29 3HG1 VAL 29 -0.439 31.529 18.456 226 HG21 VAL 29 1HG2 VAL 29 2.310 31.489 18.030 227 HG22 VAL 29 2HG2 VAL 29 1.732 31.165 19.664 228 HG23 VAL 29 3HG2 VAL 29 2.896 30.077 18.908 229 H LEU 30 H LEU 30 -0.538 26.729 20.181 230 HA LEU 30 HA LEU 30 -2.027 26.031 17.744 231 HB2 LEU 30 2HB LEU 30 -1.367 23.748 17.894 232 HB3 LEU 30 3HB LEU 30 0.090 24.741 17.905 233 HG LEU 30 HG LEU 30 -1.122 23.666 20.437 234 HD11 LEU 30 1HD1 LEU 30 -0.020 21.677 20.262 235 HD12 LEU 30 2HD1 LEU 30 1.191 22.315 19.150 236 HD13 LEU 30 3HD1 LEU 30 -0.431 21.941 18.567 237 HD21 LEU 30 1HD2 LEU 30 1.245 25.204 19.683 238 HD22 LEU 30 2HD2 LEU 30 1.594 23.818 20.717 239 HD23 LEU 30 3HD2 LEU 30 0.443 25.046 21.246 240 H ILE 31 H ILE 31 -2.651 27.164 20.493 241 HA ILE 31 HA ILE 31 -4.791 25.248 21.128 242 HB ILE 31 HB ILE 31 -4.590 25.915 23.522 243 HG12 ILE 31 2HG1 ILE 31 -1.863 26.698 23.561 244 HG13 ILE 31 3HG1 ILE 31 -2.688 27.749 22.415 245 HG21 ILE 31 1HG2 ILE 31 -3.668 23.805 22.688 246 HG22 ILE 31 2HG2 ILE 31 -2.139 24.613 22.342 247 HG23 ILE 31 3HG2 ILE 31 -2.699 24.460 24.008 248 HD11 ILE 31 1HD1 ILE 31 -3.965 28.724 24.021 249 HD12 ILE 31 2HD1 ILE 31 -3.958 27.295 25.055 250 HD13 ILE 31 3HD1 ILE 31 -2.535 28.332 24.974 251 HA PRO 32 HA PRO 32 -7.564 28.639 20.826 252 HB2 PRO 32 2HB PRO 32 -9.471 27.906 22.614 253 HB3 PRO 32 3HB PRO 32 -9.264 27.110 21.049 254 HG2 PRO 32 2HG PRO 32 -8.311 26.250 23.754 255 HG3 PRO 32 3HG PRO 32 -9.051 25.279 22.468 256 HD2 PRO 32 2HD PRO 32 -6.380 25.316 22.911 257 HD3 PRO 32 3HD PRO 32 -7.076 25.102 21.292 258 H GLU 33 H GLU 33 -8.608 30.377 22.069 259 HA GLU 33 HA GLU 33 -8.164 30.860 24.784 260 HB2 GLU 33 2HB GLU 33 -5.864 31.343 23.121 261 HB3 GLU 33 3HB GLU 33 -6.425 32.855 23.819 262 HG2 GLU 33 2HG GLU 33 -6.220 30.545 25.647 263 HG3 GLU 33 3HG GLU 33 -4.709 31.226 25.046 264 H ILE 34 H ILE 34 -7.647 33.008 21.991 265 HA ILE 34 HA ILE 34 -10.278 34.199 22.421 266 HB ILE 34 HB ILE 34 -7.733 35.825 22.428 267 HG12 ILE 34 2HG1 ILE 34 -8.932 36.533 24.693 268 HG13 ILE 34 3HG1 ILE 34 -9.631 34.924 24.548 269 HG21 ILE 34 1HG2 ILE 34 -9.344 37.075 21.241 270 HG22 ILE 34 2HG2 ILE 34 -10.631 36.619 22.356 271 HG23 ILE 34 3HG2 ILE 34 -9.355 37.717 22.884 272 HD11 ILE 34 1HD1 ILE 34 -7.767 33.984 25.279 273 HD12 ILE 34 2HD1 ILE 34 -6.791 34.853 24.094 274 HD13 ILE 34 3HD1 ILE 34 -7.171 35.603 25.644 275 H ASN 35 H ASN 35 -7.273 34.327 20.526 276 HA ASN 35 HA ASN 35 -8.815 34.200 18.074 277 HB2 ASN 35 2HB ASN 35 -8.519 36.667 18.765 278 HB3 ASN 35 3HB ASN 35 -6.824 36.442 18.344 279 HD21 ASN 35 1HD2 ASN 35 -7.136 38.051 16.732 280 HD22 ASN 35 2HD2 ASN 35 -7.872 37.646 15.222 281 H LEU 36 H LEU 36 -6.832 32.578 19.553 282 HA LEU 36 HA LEU 36 -4.478 32.651 17.844 283 HB2 LEU 36 2HB LEU 36 -4.363 32.277 20.324 284 HB3 LEU 36 3HB LEU 36 -5.122 30.709 20.054 285 HG LEU 36 HG LEU 36 -2.547 31.431 18.695 286 HD11 LEU 36 1HD1 LEU 36 -2.693 31.577 21.373 287 HD12 LEU 36 2HD1 LEU 36 -1.270 31.006 20.503 288 HD13 LEU 36 3HD1 LEU 36 -2.415 29.846 21.177 289 HD21 LEU 36 1HD2 LEU 36 -4.261 29.101 18.942 290 HD22 LEU 36 2HD2 LEU 36 -2.591 28.757 19.391 291 HD23 LEU 36 3HD2 LEU 36 -2.957 29.430 17.802 292 H ASN 37 H ASN 37 -7.269 30.601 18.496 293 HA ASN 37 HA ASN 37 -6.570 28.337 17.058 294 HB2 ASN 37 2HB ASN 37 -8.551 28.319 18.410 295 HB3 ASN 37 3HB ASN 37 -9.269 29.629 17.477 296 HD21 ASN 37 1HD2 ASN 37 -10.257 29.192 15.551 297 HD22 ASN 37 2HD2 ASN 37 -10.557 27.589 14.983 298 H ASP 38 H ASP 38 -8.236 31.259 15.904 299 HA ASP 38 HA ASP 38 -8.583 30.463 13.248 300 HB2 ASP 38 2HB ASP 38 -8.977 32.823 14.776 301 HB3 ASP 38 3HB ASP 38 -8.064 33.276 13.340 302 H THR 39 H THR 39 -5.789 31.695 14.923 303 HA THR 39 HA THR 39 -4.290 32.330 12.564 304 HB THR 39 HB THR 39 -2.615 31.774 14.853 305 HG1 THR 39 HG1 THR 39 -4.543 33.776 15.369 306 HG21 THR 39 1HG2 THR 39 -2.534 34.440 14.563 307 HG22 THR 39 2HG2 THR 39 -3.231 34.002 13.003 308 HG23 THR 39 3HG2 THR 39 -1.675 33.333 13.493 309 H PHE 40 H PHE 40 -4.098 29.702 14.966 310 HA PHE 40 HA PHE 40 -2.071 28.243 13.712 311 HB2 PHE 40 2HB PHE 40 -2.935 27.893 16.048 312 HB3 PHE 40 3HB PHE 40 -4.332 27.083 15.347 313 HD1 PHE 40 HD1 PHE 40 -0.704 26.907 14.521 314 HD2 PHE 40 HD2 PHE 40 -4.179 24.844 15.854 315 HE1 PHE 40 HE1 PHE 40 0.547 24.788 14.490 316 HE2 PHE 40 HE2 PHE 40 -2.935 22.722 15.826 317 HZ PHE 40 HZ PHE 40 -0.568 22.692 15.144 318 H ASP 41 H ASP 41 -5.591 28.049 13.373 319 HA ASP 41 HA ASP 41 -5.717 25.828 11.687 320 HB2 ASP 41 2HB ASP 41 -7.508 27.884 12.601 321 HB3 ASP 41 3HB ASP 41 -7.760 27.602 10.881 322 H THR 42 H THR 42 -5.945 29.253 10.707 323 HA THR 42 HA THR 42 -5.771 28.851 7.968 324 HB THR 42 HB THR 42 -6.135 31.043 9.448 325 HG1 THR 42 HG1 THR 42 -5.147 30.849 6.788 326 HG21 THR 42 1HG2 THR 42 -3.382 31.549 8.358 327 HG22 THR 42 2HG2 THR 42 -3.623 30.967 10.005 328 HG23 THR 42 3HG2 THR 42 -4.312 32.511 9.505 329 H PHE 43 H PHE 43 -3.295 28.726 10.382 330 HA PHE 43 HA PHE 43 -1.068 29.124 8.652 331 HB2 PHE 43 2HB PHE 43 -1.017 29.408 11.143 332 HB3 PHE 43 3HB PHE 43 -1.114 27.657 11.294 333 HD1 PHE 43 HD1 PHE 43 0.938 27.147 12.288 334 HD2 PHE 43 HD2 PHE 43 0.829 29.589 8.803 335 HE1 PHE 43 HE1 PHE 43 3.388 26.997 12.110 336 HE2 PHE 43 HE2 PHE 43 3.278 29.442 8.619 337 HZ PHE 43 HZ PHE 43 4.561 28.144 10.273 338 H ALA 44 H ALA 44 -2.188 26.160 10.296 339 HA ALA 44 HA ALA 44 -0.601 24.375 8.862 340 HB1 ALA 44 1HB ALA 44 -1.629 23.627 10.862 341 HB2 ALA 44 2HB ALA 44 -3.243 23.989 10.249 342 HB3 ALA 44 3HB ALA 44 -2.313 22.662 9.553 343 H LEU 45 H LEU 45 -3.946 25.411 8.250 344 HA LEU 45 HA LEU 45 -4.637 23.830 6.138 345 HB2 LEU 45 2HB LEU 45 -5.823 25.872 7.310 346 HB3 LEU 45 3HB LEU 45 -5.204 26.745 5.910 347 HG LEU 45 HG LEU 45 -7.426 26.152 5.390 348 HD11 LEU 45 1HD1 LEU 45 -7.188 24.721 3.468 349 HD12 LEU 45 2HD1 LEU 45 -5.678 24.063 4.098 350 HD13 LEU 45 3HD1 LEU 45 -5.764 25.754 3.604 351 HD21 LEU 45 1HD2 LEU 45 -8.323 24.537 6.649 352 HD22 LEU 45 2HD2 LEU 45 -6.773 23.729 6.885 353 HD23 LEU 45 3HD2 LEU 45 -7.710 23.430 5.421 354 H ASP 46 H ASP 46 -3.119 27.039 5.758 355 HA ASP 46 HA ASP 46 -2.671 27.017 3.060 356 HB2 ASP 46 2HB ASP 46 -1.919 28.643 5.145 357 HB3 ASP 46 3HB ASP 46 -0.369 28.048 4.557 358 H PHE 47 H PHE 47 -0.573 25.633 5.568 359 HA PHE 47 HA PHE 47 1.518 24.790 3.939 360 HB2 PHE 47 2HB PHE 47 0.581 24.248 6.637 361 HB3 PHE 47 3HB PHE 47 1.300 22.821 5.898 362 HD1 PHE 47 HD1 PHE 47 3.555 23.450 4.524 363 HD2 PHE 47 HD2 PHE 47 1.992 25.535 7.889 364 HE1 PHE 47 HE1 PHE 47 5.801 24.323 5.022 365 HE2 PHE 47 HE2 PHE 47 4.235 26.412 8.392 366 HZ PHE 47 HZ PHE 47 6.143 25.807 6.957 367 H SER 48 H SER 48 -1.368 22.975 4.963 368 HA SER 48 HA SER 48 -0.860 20.578 3.691 369 HB2 SER 48 2HB SER 48 -2.766 21.012 5.240 370 HB3 SER 48 3HB SER 48 -3.574 21.896 3.946 371 HG SER 48 HG SER 48 -4.342 19.831 3.866 372 H ARG 49 H ARG 49 -2.420 23.479 2.373 373 HA ARG 49 HA ARG 49 -3.214 22.574 -0.092 374 HB2 ARG 49 2HB ARG 49 -3.225 24.980 1.065 375 HB3 ARG 49 3HB ARG 49 -1.856 25.220 -0.013 376 HG2 ARG 49 2HG ARG 49 -4.201 24.025 -1.294 377 HG3 ARG 49 3HG ARG 49 -4.455 25.656 -0.668 378 HD2 ARG 49 2HD ARG 49 -2.217 24.817 -2.509 379 HD3 ARG 49 3HD ARG 49 -3.688 25.652 -3.008 380 HE ARG 49 HE ARG 49 -2.656 27.276 -1.100 381 HH11 ARG 49 1HH1 ARG 49 -0.260 27.144 -4.304 382 HH12 ARG 49 2HH1 ARG 49 -1.366 25.846 -4.000 383 HH21 ARG 49 1HH2 ARG 49 -0.168 28.932 -2.875 384 HH22 ARG 49 2HH2 ARG 49 -1.204 28.991 -1.490 385 H GLU 50 H GLU 50 0.023 23.629 0.883 386 HA GLU 50 HA GLU 50 1.184 23.358 -1.696 387 HB2 GLU 50 2HB GLU 50 2.009 24.249 0.861 388 HB3 GLU 50 3HB GLU 50 3.127 22.981 0.380 389 HG2 GLU 50 2HG GLU 50 2.481 25.030 -1.648 390 HG3 GLU 50 3HG GLU 50 3.461 25.539 -0.273 391 H LYS 51 H LYS 51 0.737 21.190 1.023 392 HA LYS 51 HA LYS 51 2.493 19.146 0.241 393 HB2 LYS 51 2HB LYS 51 1.771 18.780 2.376 394 HB3 LYS 51 3HB LYS 51 0.148 19.369 2.043 395 HG2 LYS 51 2HG LYS 51 0.830 16.867 0.683 396 HG3 LYS 51 3HG LYS 51 0.808 16.769 2.445 397 HD2 LYS 51 2HD LYS 51 -1.435 17.207 2.577 398 HD3 LYS 51 3HD LYS 51 -1.447 18.156 1.089 399 HE2 LYS 51 2HE LYS 51 -2.635 15.961 0.938 400 HE3 LYS 51 3HE LYS 51 -1.357 16.189 -0.254 401 HZ1 LYS 51 1HZ LYS 51 -1.622 14.034 1.352 402 HZ2 LYS 51 2HZ LYS 51 -0.461 14.943 2.180 403 HZ3 LYS 51 3HZ LYS 51 -0.192 14.492 0.572 404 H LYS 52 H LYS 52 -0.975 19.582 -0.414 405 HA LYS 52 HA LYS 52 -1.380 17.248 -1.889 406 HB2 LYS 52 2HB LYS 52 -3.253 18.560 -1.128 407 HB3 LYS 52 3HB LYS 52 -2.730 19.945 -2.078 408 HG2 LYS 52 2HG LYS 52 -4.554 18.944 -3.216 409 HG3 LYS 52 3HG LYS 52 -3.092 18.569 -4.133 410 HD2 LYS 52 2HD LYS 52 -4.103 16.509 -4.093 411 HD3 LYS 52 3HD LYS 52 -3.103 16.403 -2.642 412 HE2 LYS 52 2HE LYS 52 -4.898 16.576 -1.229 413 HE3 LYS 52 3HE LYS 52 -5.856 17.501 -2.384 414 HZ1 LYS 52 1HZ LYS 52 -5.753 15.244 -3.691 415 HZ2 LYS 52 2HZ LYS 52 -6.913 15.507 -2.489 416 HZ3 LYS 52 3HZ LYS 52 -5.526 14.604 -2.142 417 H LEU 53 H LEU 53 -0.641 20.530 -3.069 418 HA LEU 53 HA LEU 53 -0.540 20.011 -5.775 419 HB2 LEU 53 2HB LEU 53 -0.362 22.242 -4.722 420 HB3 LEU 53 3HB LEU 53 1.290 21.855 -4.245 421 HG LEU 53 HG LEU 53 0.629 21.685 -7.134 422 HD11 LEU 53 1HD1 LEU 53 -0.470 23.730 -6.688 423 HD12 LEU 53 2HD1 LEU 53 1.123 24.152 -7.316 424 HD13 LEU 53 3HD1 LEU 53 0.801 24.258 -5.586 425 HD21 LEU 53 1HD2 LEU 53 2.990 23.137 -6.208 426 HD22 LEU 53 2HD2 LEU 53 2.851 21.814 -7.367 427 HD23 LEU 53 3HD2 LEU 53 2.908 21.470 -5.637 428 H LEU 54 H LEU 54 1.749 19.169 -3.297 429 HA LEU 54 HA LEU 54 3.839 18.483 -5.177 430 HB2 LEU 54 2HB LEU 54 4.452 19.367 -3.010 431 HB3 LEU 54 3HB LEU 54 3.590 18.058 -2.203 432 HG LEU 54 HG LEU 54 6.176 17.982 -2.373 433 HD11 LEU 54 1HD1 LEU 54 6.113 15.677 -2.123 434 HD12 LEU 54 2HD1 LEU 54 4.798 15.485 -3.282 435 HD13 LEU 54 3HD1 LEU 54 4.475 16.167 -1.688 436 HD21 LEU 54 1HD2 LEU 54 5.839 18.315 -4.976 437 HD22 LEU 54 2HD2 LEU 54 5.709 16.557 -4.938 438 HD23 LEU 54 3HD2 LEU 54 7.163 17.347 -4.328 439 H GLU 55 H GLU 55 1.807 16.698 -2.854 440 HA GLU 55 HA GLU 55 2.634 14.131 -3.607 441 HB2 GLU 55 2HB GLU 55 1.375 14.647 -1.538 442 HB3 GLU 55 3HB GLU 55 -0.057 14.959 -2.508 443 HG2 GLU 55 2HG GLU 55 -0.591 12.821 -2.418 444 HG3 GLU 55 3HG GLU 55 0.921 12.402 -3.221 445 H CYS 56 H CYS 56 -0.571 15.511 -4.326 446 HA CYS 56 HA CYS 56 -0.560 13.987 -6.841 447 HB2 CYS 56 2HB CYS 56 -2.762 14.870 -5.000 448 HB3 CYS 56 3HB CYS 56 -3.108 14.496 -6.683 449 HG CYS 56 HG CYS 56 -1.696 12.304 -4.465 450 H LEU 57 H LEU 57 -2.312 15.136 -8.402 451 HA LEU 57 HA LEU 57 -1.161 17.772 -8.919 452 HB2 LEU 57 2HB LEU 57 -2.000 17.547 -11.149 453 HB3 LEU 57 3HB LEU 57 -1.159 16.064 -10.702 454 HG LEU 57 HG LEU 57 -3.662 15.340 -10.084 455 HD11 LEU 57 1HD1 LEU 57 -3.893 17.524 -12.117 456 HD12 LEU 57 2HD1 LEU 57 -4.884 17.215 -10.692 457 HD13 LEU 57 3HD1 LEU 57 -5.028 16.174 -12.108 458 HD21 LEU 57 1HD2 LEU 57 -2.185 15.227 -12.692 459 HD22 LEU 57 2HD2 LEU 57 -3.750 14.440 -12.485 460 HD23 LEU 57 3HD2 LEU 57 -2.384 13.967 -11.474 461 H ASP 58 H ASP 58 -2.643 19.462 -9.800 462 HA ASP 58 HA ASP 58 -5.388 19.309 -8.827 463 HB2 ASP 58 2HB ASP 58 -3.265 20.878 -7.563 464 HB3 ASP 58 3HB ASP 58 -4.671 21.843 -8.006 465 H TYR 59 H TYR 59 -6.411 21.646 -9.297 466 HA TYR 59 HA TYR 59 -5.851 22.125 -12.134 467 HB2 TYR 59 2HB TYR 59 -8.260 22.868 -10.462 468 HB3 TYR 59 3HB TYR 59 -8.089 23.171 -12.187 469 HD1 TYR 59 HD1 TYR 59 -9.533 21.046 -9.870 470 HD2 TYR 59 HD2 TYR 59 -7.391 20.933 -13.545 471 HE1 TYR 59 HE1 TYR 59 -10.480 18.826 -10.347 472 HE2 TYR 59 HE2 TYR 59 -8.333 18.714 -14.032 473 HH TYR 59 HH TYR 59 -10.787 17.493 -13.017 474 H LEU 60 H LEU 60 -6.943 24.107 -9.373 475 HA LEU 60 HA LEU 60 -5.771 26.473 -10.537 476 HB2 LEU 60 2HB LEU 60 -7.614 25.838 -8.365 477 HB3 LEU 60 3HB LEU 60 -6.497 27.144 -7.974 478 HG LEU 60 HG LEU 60 -7.700 27.508 -10.586 479 HD11 LEU 60 1HD1 LEU 60 -9.548 27.335 -8.211 480 HD12 LEU 60 2HD1 LEU 60 -9.570 26.290 -9.631 481 HD13 LEU 60 3HD1 LEU 60 -9.964 28.002 -9.790 482 HD21 LEU 60 1HD2 LEU 60 -8.452 29.632 -9.185 483 HD22 LEU 60 2HD2 LEU 60 -6.797 29.428 -9.761 484 HD23 LEU 60 3HD2 LEU 60 -7.205 29.035 -8.090 Start of MODEL 2 1 H LEU 1 H LEU 1 3.907 -0.803 2.441 2 HA LEU 1 HA LEU 1 3.375 0.983 0.704 3 HB2 LEU 1 2HB LEU 1 2.936 2.601 2.578 4 HB3 LEU 1 3HB LEU 1 4.681 2.691 2.811 5 HG LEU 1 HG LEU 1 4.940 3.625 0.570 6 HD11 LEU 1 1HD1 LEU 1 2.677 4.429 -0.461 7 HD12 LEU 1 2HD1 LEU 1 2.017 3.058 0.430 8 HD13 LEU 1 3HD1 LEU 1 3.275 2.800 -0.778 9 HD21 LEU 1 1HD2 LEU 1 3.523 4.871 2.755 10 HD22 LEU 1 2HD2 LEU 1 3.079 5.594 1.208 11 HD23 LEU 1 3HD2 LEU 1 4.773 5.532 1.700 12 H LYS 2 H LYS 2 4.842 -0.417 -0.311 13 HA LYS 2 HA LYS 2 7.677 0.291 0.074 14 HB2 LYS 2 2HB LYS 2 6.401 -2.352 -0.602 15 HB3 LYS 2 3HB LYS 2 8.101 -2.033 -0.923 16 HG2 LYS 2 2HG LYS 2 8.647 -2.431 1.187 17 HG3 LYS 2 3HG LYS 2 7.419 -1.311 1.780 18 HD2 LYS 2 2HD LYS 2 5.870 -2.958 2.086 19 HD3 LYS 2 3HD LYS 2 6.498 -3.944 0.763 20 HE2 LYS 2 2HE LYS 2 8.489 -4.441 2.198 21 HE3 LYS 2 3HE LYS 2 7.666 -3.619 3.523 22 HZ1 LYS 2 1HZ LYS 2 7.040 -5.763 3.901 23 HZ2 LYS 2 2HZ LYS 2 7.053 -6.193 2.265 24 HZ3 LYS 2 3HZ LYS 2 5.770 -5.285 2.890 25 H GLU 3 H GLU 3 8.015 1.766 -1.502 26 HA GLU 3 HA GLU 3 8.028 0.844 -4.224 27 HB2 GLU 3 2HB GLU 3 5.679 1.998 -3.443 28 HB3 GLU 3 3HB GLU 3 6.565 3.391 -4.048 29 HG2 GLU 3 2HG GLU 3 5.584 2.748 -5.977 30 HG3 GLU 3 3HG GLU 3 7.028 1.741 -6.070 31 H ASN 4 H ASN 4 8.573 2.929 -5.675 32 HA ASN 4 HA ASN 4 10.560 4.531 -4.211 33 HB2 ASN 4 2HB ASN 4 10.919 2.967 -6.757 34 HB3 ASN 4 3HB ASN 4 11.941 4.353 -6.387 35 HD21 ASN 4 1HD2 ASN 4 13.802 3.798 -5.546 36 HD22 ASN 4 2HD2 ASN 4 14.091 2.463 -4.488 37 H ASP 5 H ASP 5 7.942 5.338 -4.866 38 HA ASP 5 HA ASP 5 8.550 7.696 -6.422 39 HB2 ASP 5 2HB ASP 5 7.064 5.461 -7.561 40 HB3 ASP 5 3HB ASP 5 6.140 6.960 -7.587 41 H HIS 6 H HIS 6 5.507 6.046 -5.593 42 HA HIS 6 HA HIS 6 4.262 8.377 -4.626 43 HB2 HIS 6 2HB HIS 6 3.199 6.156 -5.401 44 HB3 HIS 6 3HB HIS 6 3.488 5.602 -3.754 45 HD1 HIS 6 HD1 HIS 6 1.505 5.871 -2.322 46 HD2 HIS 6 HD2 HIS 6 1.694 8.818 -5.245 47 HE1 HIS 6 HE1 HIS 6 -0.542 7.291 -1.979 48 H ALA 7 H ALA 7 6.355 6.058 -3.122 49 HA ALA 7 HA ALA 7 5.680 6.569 -0.422 50 HB1 ALA 7 1HB ALA 7 8.388 5.694 -1.393 51 HB2 ALA 7 2HB ALA 7 7.612 5.343 0.153 52 HB3 ALA 7 3HB ALA 7 7.000 4.607 -1.329 53 H ARG 8 H ARG 8 8.423 7.733 -2.388 54 HA ARG 8 HA ARG 8 9.479 9.486 -0.491 55 HB2 ARG 8 2HB ARG 8 10.779 8.899 -2.416 56 HB3 ARG 8 3HB ARG 8 9.563 9.549 -3.507 57 HG2 ARG 8 2HG ARG 8 10.485 11.561 -3.439 58 HG3 ARG 8 3HG ARG 8 10.453 11.576 -1.674 59 HD2 ARG 8 2HD ARG 8 12.515 9.894 -2.975 60 HD3 ARG 8 3HD ARG 8 12.720 11.642 -3.086 61 HE ARG 8 HE ARG 8 13.055 10.011 -0.757 62 HH11 ARG 8 1HH1 ARG 8 12.718 13.986 -0.428 63 HH12 ARG 8 2HH1 ARG 8 12.236 13.198 -1.893 64 HH21 ARG 8 1HH2 ARG 8 13.547 12.756 1.318 65 HH22 ARG 8 2HH2 ARG 8 13.693 11.037 1.178 66 H PHE 9 H PHE 9 7.063 10.043 -3.023 67 HA PHE 9 HA PHE 9 6.768 12.800 -2.698 68 HB2 PHE 9 2HB PHE 9 5.234 10.623 -3.932 69 HB3 PHE 9 3HB PHE 9 4.242 11.972 -3.387 70 HD1 PHE 9 HD1 PHE 9 5.633 14.335 -3.935 71 HD2 PHE 9 HD2 PHE 9 5.657 10.716 -6.175 72 HE1 PHE 9 HE1 PHE 9 6.234 15.597 -5.960 73 HE2 PHE 9 HE2 PHE 9 6.260 11.972 -8.204 74 HZ PHE 9 HZ PHE 9 6.550 14.415 -8.098 75 H LEU 10 H LEU 10 4.942 10.143 -1.193 76 HA LEU 10 HA LEU 10 3.214 11.701 0.346 77 HB2 LEU 10 2HB LEU 10 3.648 9.019 -0.034 78 HB3 LEU 10 3HB LEU 10 4.107 9.245 1.652 79 HG LEU 10 HG LEU 10 1.676 10.563 1.432 80 HD11 LEU 10 1HD1 LEU 10 0.313 8.522 0.546 81 HD12 LEU 10 2HD1 LEU 10 1.783 8.190 -0.371 82 HD13 LEU 10 3HD1 LEU 10 0.943 9.727 -0.579 83 HD21 LEU 10 1HD2 LEU 10 2.140 9.379 3.377 84 HD22 LEU 10 2HD2 LEU 10 2.549 7.904 2.501 85 HD23 LEU 10 3HD2 LEU 10 0.866 8.421 2.621 86 H GLN 11 H GLN 11 6.405 10.372 1.156 87 HA GLN 11 HA GLN 11 6.562 11.169 3.804 88 HB2 GLN 11 2HB GLN 11 8.567 10.655 1.660 89 HB3 GLN 11 3HB GLN 11 9.121 11.436 3.135 90 HG2 GLN 11 2HG GLN 11 7.890 9.481 4.319 91 HG3 GLN 11 3HG GLN 11 8.017 8.693 2.747 92 HE21 GLN 11 1HE2 GLN 11 9.682 7.389 2.621 93 HE22 GLN 11 2HE2 GLN 11 11.221 7.614 3.372 94 H THR 12 H THR 12 6.865 13.054 0.893 95 HA THR 12 HA THR 12 8.042 15.345 2.149 96 HB THR 12 HB THR 12 6.658 15.047 -0.522 97 HG1 THR 12 HG1 THR 12 8.829 14.030 0.038 98 HG21 THR 12 1HG2 THR 12 8.154 17.232 -0.848 99 HG22 THR 12 2HG2 THR 12 7.803 17.403 0.872 100 HG23 THR 12 3HG2 THR 12 6.482 17.308 -0.292 101 H ALA 13 H ALA 13 4.805 14.756 0.763 102 HA ALA 13 HA ALA 13 3.574 17.088 1.572 103 HB1 ALA 13 1HB ALA 13 1.540 15.294 1.803 104 HB2 ALA 13 2HB ALA 13 2.100 15.995 0.284 105 HB3 ALA 13 3HB ALA 13 2.682 14.409 0.791 106 H LYS 14 H LYS 14 4.202 14.165 3.422 107 HA LYS 14 HA LYS 14 2.651 14.987 5.692 108 HB2 LYS 14 2HB LYS 14 3.043 12.612 5.191 109 HB3 LYS 14 3HB LYS 14 4.769 12.842 5.444 110 HG2 LYS 14 2HG LYS 14 4.277 12.065 7.496 111 HG3 LYS 14 3HG LYS 14 3.850 13.752 7.793 112 HD2 LYS 14 2HD LYS 14 1.745 13.171 8.211 113 HD3 LYS 14 3HD LYS 14 1.613 12.418 6.620 114 HE2 LYS 14 2HE LYS 14 2.672 10.377 7.572 115 HE3 LYS 14 3HE LYS 14 2.616 11.139 9.161 116 HZ1 LYS 14 1HZ LYS 14 0.118 11.025 7.661 117 HZ2 LYS 14 2HZ LYS 14 0.393 10.853 9.321 118 HZ3 LYS 14 3HZ LYS 14 0.703 9.561 8.275 119 H ASN 15 H ASN 15 6.117 14.860 4.926 120 HA ASN 15 HA ASN 15 7.099 15.778 7.367 121 HB2 ASN 15 2HB ASN 15 8.560 14.848 5.652 122 HB3 ASN 15 3HB ASN 15 8.211 16.205 4.586 123 HD21 ASN 15 1HD2 ASN 15 10.158 17.128 4.410 124 HD22 ASN 15 2HD2 ASN 15 11.081 17.743 5.735 125 H ILE 16 H ILE 16 5.444 17.457 4.855 126 HA ILE 16 HA ILE 16 6.357 20.084 5.554 127 HB ILE 16 HB ILE 16 3.960 19.227 3.929 128 HG12 ILE 16 2HG1 ILE 16 6.377 20.477 2.726 129 HG13 ILE 16 3HG1 ILE 16 6.514 18.802 3.251 130 HG21 ILE 16 1HG2 ILE 16 3.482 21.407 4.633 131 HG22 ILE 16 2HG2 ILE 16 5.162 21.919 4.480 132 HG23 ILE 16 3HG2 ILE 16 4.201 21.609 3.035 133 HD11 ILE 16 1HD1 ILE 16 5.332 19.860 0.883 134 HD12 ILE 16 2HD1 ILE 16 5.595 18.178 1.344 135 HD13 ILE 16 3HD1 ILE 16 4.107 18.999 1.815 136 H THR 17 H THR 17 3.214 18.434 5.915 137 HA THR 17 HA THR 17 2.145 20.441 7.629 138 HB THR 17 HB THR 17 0.961 17.744 7.808 139 HG1 THR 17 HG1 THR 17 0.758 19.140 5.345 140 HG21 THR 17 1HG2 THR 17 -1.009 19.285 6.951 141 HG22 THR 17 2HG2 THR 17 0.078 20.570 7.478 142 HG23 THR 17 3HG2 THR 17 -0.463 19.345 8.626 143 H GLU 18 H GLU 18 4.248 17.808 8.137 144 HA GLU 18 HA GLU 18 3.557 17.409 10.915 145 HB2 GLU 18 2HB GLU 18 4.403 15.559 9.486 146 HB3 GLU 18 3HB GLU 18 5.947 16.392 9.369 147 HG2 GLU 18 2HG GLU 18 6.012 16.282 11.911 148 HG3 GLU 18 3HG GLU 18 4.690 15.125 11.776 149 H ARG 19 H ARG 19 6.003 19.103 9.048 150 HA ARG 19 HA ARG 19 7.623 19.796 11.300 151 HB2 ARG 19 2HB ARG 19 8.275 19.692 8.793 152 HB3 ARG 19 3HB ARG 19 7.596 21.312 8.707 153 HG2 ARG 19 2HG ARG 19 9.290 21.355 10.919 154 HG3 ARG 19 3HG ARG 19 10.160 20.445 9.682 155 HD2 ARG 19 2HD ARG 19 9.783 22.271 8.089 156 HD3 ARG 19 3HD ARG 19 8.930 23.178 9.338 157 HE ARG 19 HE ARG 19 11.603 22.416 10.075 158 HH11 ARG 19 1HH1 ARG 19 10.794 26.080 8.679 159 HH12 ARG 19 2HH1 ARG 19 9.641 24.803 8.472 160 HH21 ARG 19 1HH2 ARG 19 12.778 25.672 9.749 161 HH22 ARG 19 2HH2 ARG 19 13.129 24.088 10.354 162 H VAL 20 H VAL 20 4.944 21.280 9.596 163 HA VAL 20 HA VAL 20 5.193 23.846 10.822 164 HB VAL 20 HB VAL 20 4.013 23.572 8.696 165 HG11 VAL 20 1HG1 VAL 20 1.909 22.112 10.291 166 HG12 VAL 20 2HG1 VAL 20 1.836 22.513 8.574 167 HG13 VAL 20 3HG1 VAL 20 3.035 21.360 9.161 168 HG21 VAL 20 1HG2 VAL 20 2.389 24.609 11.008 169 HG22 VAL 20 2HG2 VAL 20 3.428 25.520 9.913 170 HG23 VAL 20 3HG2 VAL 20 1.915 24.832 9.325 171 H SER 21 H SER 21 3.429 20.896 11.564 172 HA SER 21 HA SER 21 1.761 21.967 13.577 173 HB2 SER 21 2HB SER 21 1.055 19.886 12.801 174 HB3 SER 21 3HB SER 21 2.679 19.201 12.859 175 HG SER 21 HG SER 21 1.154 19.929 15.140 176 H MET 22 H MET 22 4.795 20.109 13.826 177 HA MET 22 HA MET 22 5.069 20.263 16.599 178 HB2 MET 22 2HB MET 22 6.447 19.019 14.654 179 HB3 MET 22 3HB MET 22 7.547 20.353 14.973 180 HG2 MET 22 2HG MET 22 8.181 19.530 16.957 181 HG3 MET 22 3HG MET 22 6.556 18.984 17.365 182 HE1 MET 22 1HE MET 22 9.044 17.032 14.203 183 HE2 MET 22 2HE MET 22 9.258 18.641 14.893 184 HE3 MET 22 3HE MET 22 10.089 17.258 15.607 185 H ALA 23 H ALA 23 6.190 22.455 14.058 186 HA ALA 23 HA ALA 23 7.743 24.173 15.599 187 HB1 ALA 23 1HB ALA 23 7.992 24.659 13.396 188 HB2 ALA 23 2HB ALA 23 6.286 24.398 13.029 189 HB3 ALA 23 3HB ALA 23 6.804 25.897 13.801 190 H THR 24 H THR 24 4.274 24.391 14.830 191 HA THR 24 HA THR 24 3.891 26.688 16.511 192 HB THR 24 HB THR 24 1.524 25.081 15.759 193 HG1 THR 24 HG1 THR 24 3.456 25.902 13.920 194 HG21 THR 24 1HG2 THR 24 1.076 27.520 14.782 195 HG22 THR 24 2HG2 THR 24 2.346 27.929 15.937 196 HG23 THR 24 3HG2 THR 24 0.870 27.140 16.492 197 H ALA 25 H ALA 25 4.004 23.319 17.009 198 HA ALA 25 HA ALA 25 2.323 23.344 19.375 199 HB1 ALA 25 1HB ALA 25 2.358 21.396 17.856 200 HB2 ALA 25 2HB ALA 25 4.044 21.118 18.293 201 HB3 ALA 25 3HB ALA 25 2.781 20.981 19.517 202 H SER 26 H SER 26 5.598 23.882 18.585 203 HA SER 26 HA SER 26 6.409 23.482 21.387 204 HB2 SER 26 2HB SER 26 7.609 22.481 19.145 205 HB3 SER 26 3HB SER 26 8.530 23.962 19.400 206 HG SER 26 HG SER 26 8.772 23.209 21.625 207 H SER 27 H SER 27 5.474 25.831 19.267 208 HA SER 27 HA SER 27 7.271 27.879 20.345 209 HB2 SER 27 2HB SER 27 6.867 27.756 17.872 210 HB3 SER 27 3HB SER 27 5.182 28.175 18.176 211 HG SER 27 HG SER 27 6.326 30.022 19.414 212 H GLN 28 H GLN 28 3.780 27.419 19.778 213 HA GLN 28 HA GLN 28 3.248 29.306 21.966 214 HB2 GLN 28 2HB GLN 28 1.403 28.295 19.794 215 HB3 GLN 28 3HB GLN 28 0.973 29.465 21.034 216 HG2 GLN 28 2HG GLN 28 3.317 30.390 19.736 217 HG3 GLN 28 3HG GLN 28 2.153 29.917 18.500 218 HE21 GLN 28 1HE2 GLN 28 0.922 31.515 17.854 219 HE22 GLN 28 2HE2 GLN 28 0.371 32.839 18.817 220 H VAL 29 H VAL 29 3.732 26.164 21.713 221 HA VAL 29 HA VAL 29 3.184 24.352 22.979 222 HB VAL 29 HB VAL 29 1.434 26.100 24.688 223 HG11 VAL 29 1HG1 VAL 29 3.053 24.350 26.182 224 HG12 VAL 29 2HG1 VAL 29 1.314 24.246 25.904 225 HG13 VAL 29 3HG1 VAL 29 2.433 23.420 24.818 226 HG21 VAL 29 1HG2 VAL 29 3.783 26.223 25.982 227 HG22 VAL 29 2HG2 VAL 29 4.362 26.225 24.316 228 HG23 VAL 29 3HG2 VAL 29 3.231 27.465 24.859 229 H LEU 30 H LEU 30 1.308 25.645 20.866 230 HA LEU 30 HA LEU 30 -0.716 25.225 19.908 231 HB2 LEU 30 2HB LEU 30 0.518 22.909 20.180 232 HB3 LEU 30 3HB LEU 30 -0.820 22.585 21.281 233 HG LEU 30 HG LEU 30 -2.334 23.238 19.308 234 HD11 LEU 30 1HD1 LEU 30 -0.567 22.286 17.308 235 HD12 LEU 30 2HD1 LEU 30 0.215 23.640 18.125 236 HD13 LEU 30 3HD1 LEU 30 -1.382 23.847 17.405 237 HD21 LEU 30 1HD2 LEU 30 -2.540 21.032 19.787 238 HD22 LEU 30 2HD2 LEU 30 -0.800 20.746 19.753 239 HD23 LEU 30 3HD2 LEU 30 -1.703 20.873 18.242 240 H ILE 31 H ILE 31 -1.243 26.833 21.856 241 HA ILE 31 HA ILE 31 -3.669 25.739 23.085 242 HB ILE 31 HB ILE 31 -3.174 27.042 25.169 243 HG12 ILE 31 2HG1 ILE 31 -0.323 27.010 24.972 244 HG13 ILE 31 3HG1 ILE 31 -0.963 27.916 23.605 245 HG21 ILE 31 1HG2 ILE 31 -2.633 24.505 24.605 246 HG22 ILE 31 2HG2 ILE 31 -0.987 25.056 24.916 247 HG23 ILE 31 3HG2 ILE 31 -2.225 25.227 26.161 248 HD11 ILE 31 1HD1 ILE 31 -1.296 29.666 24.907 249 HD12 ILE 31 2HD1 ILE 31 -2.347 28.716 25.957 250 HD13 ILE 31 3HD1 ILE 31 -0.611 28.772 26.264 251 HA PRO 32 HA PRO 32 -5.572 29.461 21.740 252 HB2 PRO 32 2HB PRO 32 -7.482 29.785 23.642 253 HB3 PRO 32 3HB PRO 32 -7.569 28.533 22.397 254 HG2 PRO 32 2HG PRO 32 -6.679 28.312 25.247 255 HG3 PRO 32 3HG PRO 32 -7.708 27.215 24.308 256 HD2 PRO 32 2HD PRO 32 -5.082 26.725 24.753 257 HD3 PRO 32 3HD PRO 32 -5.910 26.217 23.267 258 H GLU 33 H GLU 33 -6.012 31.695 22.320 259 HA GLU 33 HA GLU 33 -4.986 32.708 24.822 260 HB2 GLU 33 2HB GLU 33 -2.888 32.575 23.726 261 HB3 GLU 33 3HB GLU 33 -3.553 33.178 22.215 262 HG2 GLU 33 2HG GLU 33 -3.892 35.370 23.235 263 HG3 GLU 33 3HG GLU 33 -3.226 34.766 24.751 264 H ILE 34 H ILE 34 -6.127 33.429 21.554 265 HA ILE 34 HA ILE 34 -8.165 35.163 22.520 266 HB ILE 34 HB ILE 34 -6.369 36.761 22.758 267 HG12 ILE 34 2HG1 ILE 34 -7.413 37.861 20.261 268 HG13 ILE 34 3HG1 ILE 34 -8.671 37.156 21.271 269 HG21 ILE 34 1HG2 ILE 34 -4.891 37.386 20.991 270 HG22 ILE 34 2HG2 ILE 34 -4.839 35.630 21.138 271 HG23 ILE 34 3HG2 ILE 34 -5.760 36.378 19.833 272 HD11 ILE 34 1HD1 ILE 34 -8.242 38.635 23.026 273 HD12 ILE 34 2HD1 ILE 34 -6.676 39.105 22.364 274 HD13 ILE 34 3HD1 ILE 34 -8.162 39.626 21.570 275 H ASN 35 H ASN 35 -6.184 34.139 19.786 276 HA ASN 35 HA ASN 35 -8.562 33.581 18.246 277 HB2 ASN 35 2HB ASN 35 -6.669 35.795 17.513 278 HB3 ASN 35 3HB ASN 35 -7.525 34.905 16.258 279 HD21 ASN 35 1HD2 ASN 35 -7.613 37.654 17.879 280 HD22 ASN 35 2HD2 ASN 35 -9.316 37.937 17.962 281 H LEU 36 H LEU 36 -6.084 32.293 19.394 282 HA LEU 36 HA LEU 36 -4.281 31.525 17.434 283 HB2 LEU 36 2HB LEU 36 -3.860 30.979 19.709 284 HB3 LEU 36 3HB LEU 36 -5.347 30.041 19.824 285 HG LEU 36 HG LEU 36 -3.761 28.868 17.792 286 HD11 LEU 36 1HD1 LEU 36 -1.886 28.209 19.532 287 HD12 LEU 36 2HD1 LEU 36 -2.225 29.827 20.145 288 HD13 LEU 36 3HD1 LEU 36 -1.716 29.608 18.471 289 HD21 LEU 36 1HD2 LEU 36 -5.212 27.486 18.947 290 HD22 LEU 36 2HD2 LEU 36 -4.729 28.119 20.521 291 HD23 LEU 36 3HD2 LEU 36 -3.649 27.043 19.633 292 H ASN 37 H ASN 37 -7.490 30.267 18.152 293 HA ASN 37 HA ASN 37 -7.493 27.941 16.665 294 HB2 ASN 37 2HB ASN 37 -9.356 29.113 18.125 295 HB3 ASN 37 3HB ASN 37 -9.898 29.715 16.561 296 HD21 ASN 37 1HD2 ASN 37 -10.612 27.502 18.701 297 HD22 ASN 37 2HD2 ASN 37 -11.112 26.191 17.693 298 H ASP 38 H ASP 38 -8.235 31.237 15.560 299 HA ASP 38 HA ASP 38 -8.647 30.456 12.845 300 HB2 ASP 38 2HB ASP 38 -9.207 32.708 14.322 301 HB3 ASP 38 3HB ASP 38 -7.885 33.253 13.293 302 H THR 39 H THR 39 -5.898 31.455 14.737 303 HA THR 39 HA THR 39 -4.178 32.106 12.573 304 HB THR 39 HB THR 39 -2.972 31.052 15.071 305 HG1 THR 39 HG1 THR 39 -3.572 33.307 15.924 306 HG21 THR 39 1HG2 THR 39 -2.596 33.633 13.547 307 HG22 THR 39 2HG2 THR 39 -1.660 32.160 13.290 308 HG23 THR 39 3HG2 THR 39 -1.561 33.010 14.832 309 H PHE 40 H PHE 40 -4.146 29.266 14.740 310 HA PHE 40 HA PHE 40 -2.291 27.752 13.370 311 HB2 PHE 40 2HB PHE 40 -3.454 27.292 15.627 312 HB3 PHE 40 3HB PHE 40 -4.697 26.494 14.669 313 HD1 PHE 40 HD1 PHE 40 -0.995 26.531 14.289 314 HD2 PHE 40 HD2 PHE 40 -4.490 24.232 15.073 315 HE1 PHE 40 HE1 PHE 40 0.356 24.474 14.260 316 HE2 PHE 40 HE2 PHE 40 -3.145 22.172 15.047 317 HZ PHE 40 HZ PHE 40 -0.719 22.291 14.640 318 H ASP 41 H ASP 41 -5.784 27.959 12.850 319 HA ASP 41 HA ASP 41 -6.050 25.942 10.942 320 HB2 ASP 41 2HB ASP 41 -7.812 27.525 12.144 321 HB3 ASP 41 3HB ASP 41 -7.663 28.433 10.643 322 H THR 42 H THR 42 -5.851 29.445 10.289 323 HA THR 42 HA THR 42 -5.502 29.229 7.529 324 HB THR 42 HB THR 42 -5.860 31.327 9.156 325 HG1 THR 42 HG1 THR 42 -6.135 32.136 7.229 326 HG21 THR 42 1HG2 THR 42 -3.019 31.746 8.276 327 HG22 THR 42 2HG2 THR 42 -3.397 31.061 9.857 328 HG23 THR 42 3HG2 THR 42 -3.968 32.675 9.435 329 H PHE 43 H PHE 43 -3.271 28.736 10.117 330 HA PHE 43 HA PHE 43 -0.885 29.111 8.581 331 HB2 PHE 43 2HB PHE 43 -1.087 29.273 11.112 332 HB3 PHE 43 3HB PHE 43 -1.141 27.514 11.129 333 HD1 PHE 43 HD1 PHE 43 0.847 26.928 12.185 334 HD2 PHE 43 HD2 PHE 43 0.918 29.731 8.982 335 HE1 PHE 43 HE1 PHE 43 3.306 26.853 12.179 336 HE2 PHE 43 HE2 PHE 43 3.377 29.660 8.970 337 HZ PHE 43 HZ PHE 43 4.575 28.219 10.569 338 H ALA 44 H ALA 44 -2.525 26.219 9.868 339 HA ALA 44 HA ALA 44 -0.856 24.381 8.492 340 HB1 ALA 44 1HB ALA 44 -2.688 22.738 9.074 341 HB2 ALA 44 2HB ALA 44 -1.950 23.591 10.430 342 HB3 ALA 44 3HB ALA 44 -3.532 24.089 9.832 343 H LEU 45 H LEU 45 -4.137 25.595 7.856 344 HA LEU 45 HA LEU 45 -4.831 24.124 5.659 345 HB2 LEU 45 2HB LEU 45 -6.505 25.533 6.284 346 HB3 LEU 45 3HB LEU 45 -5.410 26.886 6.562 347 HG LEU 45 HG LEU 45 -5.299 27.320 4.177 348 HD11 LEU 45 1HD1 LEU 45 -5.511 25.438 2.943 349 HD12 LEU 45 2HD1 LEU 45 -7.198 25.950 2.886 350 HD13 LEU 45 3HD1 LEU 45 -6.690 24.717 4.039 351 HD21 LEU 45 1HD2 LEU 45 -7.649 27.980 3.809 352 HD22 LEU 45 2HD2 LEU 45 -7.059 28.419 5.413 353 HD23 LEU 45 3HD2 LEU 45 -8.115 27.020 5.214 354 H ASP 46 H ASP 46 -3.178 27.285 5.509 355 HA ASP 46 HA ASP 46 -2.693 27.399 2.809 356 HB2 ASP 46 2HB ASP 46 -1.979 28.924 4.961 357 HB3 ASP 46 3HB ASP 46 -0.417 28.289 4.450 358 H PHE 47 H PHE 47 -0.618 25.910 5.284 359 HA PHE 47 HA PHE 47 1.441 25.065 3.615 360 HB2 PHE 47 2HB PHE 47 0.526 24.485 6.317 361 HB3 PHE 47 3HB PHE 47 1.240 23.073 5.544 362 HD1 PHE 47 HD1 PHE 47 3.487 23.706 4.179 363 HD2 PHE 47 HD2 PHE 47 1.941 25.773 7.564 364 HE1 PHE 47 HE1 PHE 47 5.736 24.572 4.674 365 HE2 PHE 47 HE2 PHE 47 4.187 26.642 8.063 366 HZ PHE 47 HZ PHE 47 6.089 26.043 6.617 367 H SER 48 H SER 48 -1.433 23.250 4.676 368 HA SER 48 HA SER 48 -0.972 20.878 3.343 369 HB2 SER 48 2HB SER 48 -2.916 21.613 4.942 370 HB3 SER 48 3HB SER 48 -3.751 22.003 3.438 371 HG SER 48 HG SER 48 -4.022 19.798 4.319 372 H ARG 49 H ARG 49 -2.576 23.800 2.125 373 HA ARG 49 HA ARG 49 -3.450 22.969 -0.325 374 HB2 ARG 49 2HB ARG 49 -2.951 25.447 0.922 375 HB3 ARG 49 3HB ARG 49 -2.148 25.517 -0.641 376 HG2 ARG 49 2HG ARG 49 -4.782 24.387 -0.903 377 HG3 ARG 49 3HG ARG 49 -4.843 25.959 -0.102 378 HD2 ARG 49 2HD ARG 49 -3.146 26.571 -2.060 379 HD3 ARG 49 3HD ARG 49 -4.005 25.254 -2.858 380 HE ARG 49 HE ARG 49 -4.998 27.877 -2.329 381 HH11 ARG 49 1HH1 ARG 49 -7.548 24.902 -3.149 382 HH12 ARG 49 2HH1 ARG 49 -5.923 24.538 -2.671 383 HH21 ARG 49 1HH2 ARG 49 -8.236 27.082 -3.313 384 HH22 ARG 49 2HH2 ARG 49 -7.134 28.369 -2.958 385 H GLU 50 H GLU 50 -0.151 23.899 0.558 386 HA GLU 50 HA GLU 50 0.858 23.487 -2.105 387 HB2 GLU 50 2HB GLU 50 1.744 24.978 -0.059 388 HB3 GLU 50 3HB GLU 50 2.714 23.537 0.212 389 HG2 GLU 50 2HG GLU 50 3.229 23.784 -2.346 390 HG3 GLU 50 3HG GLU 50 2.766 25.460 -2.055 391 H LYS 51 H LYS 51 0.576 21.626 0.832 392 HA LYS 51 HA LYS 51 2.431 19.599 0.285 393 HB2 LYS 51 2HB LYS 51 1.602 18.574 2.137 394 HB3 LYS 51 3HB LYS 51 0.851 20.145 2.381 395 HG2 LYS 51 2HG LYS 51 -0.970 18.831 2.675 396 HG3 LYS 51 3HG LYS 51 -1.066 19.037 0.924 397 HD2 LYS 51 2HD LYS 51 0.387 16.904 0.823 398 HD3 LYS 51 3HD LYS 51 -0.115 16.668 2.498 399 HE2 LYS 51 2HE LYS 51 -2.480 16.832 1.746 400 HE3 LYS 51 3HE LYS 51 -1.904 16.903 0.082 401 HZ1 LYS 51 1HZ LYS 51 -1.386 14.720 0.070 402 HZ2 LYS 51 2HZ LYS 51 -2.580 14.644 1.266 403 HZ3 LYS 51 3HZ LYS 51 -0.946 14.681 1.703 404 H LYS 52 H LYS 52 -0.779 20.181 -0.928 405 HA LYS 52 HA LYS 52 -1.077 17.539 -2.054 406 HB2 LYS 52 2HB LYS 52 -3.073 18.688 -1.344 407 HB3 LYS 52 3HB LYS 52 -2.691 20.075 -2.355 408 HG2 LYS 52 2HG LYS 52 -4.407 18.841 -3.436 409 HG3 LYS 52 3HG LYS 52 -2.916 18.588 -4.347 410 HD2 LYS 52 2HD LYS 52 -3.689 16.434 -4.221 411 HD3 LYS 52 3HD LYS 52 -2.696 16.496 -2.762 412 HE2 LYS 52 2HE LYS 52 -4.519 16.565 -1.364 413 HE3 LYS 52 3HE LYS 52 -5.566 17.281 -2.588 414 HZ1 LYS 52 1HZ LYS 52 -4.725 14.727 -3.435 415 HZ2 LYS 52 2HZ LYS 52 -6.295 15.276 -3.128 416 HZ3 LYS 52 3HZ LYS 52 -5.375 14.605 -1.878 417 H LEU 53 H LEU 53 -0.701 20.824 -3.390 418 HA LEU 53 HA LEU 53 -0.528 20.183 -6.068 419 HB2 LEU 53 2HB LEU 53 -0.494 22.471 -4.842 420 HB3 LEU 53 3HB LEU 53 1.257 22.272 -4.885 421 HG LEU 53 HG LEU 53 0.239 21.826 -7.507 422 HD11 LEU 53 1HD1 LEU 53 -1.626 23.294 -6.369 423 HD12 LEU 53 2HD1 LEU 53 -1.070 23.629 -8.009 424 HD13 LEU 53 3HD1 LEU 53 -0.463 24.589 -6.659 425 HD21 LEU 53 1HD2 LEU 53 2.498 22.591 -6.869 426 HD22 LEU 53 2HD2 LEU 53 1.811 24.138 -6.374 427 HD23 LEU 53 3HD2 LEU 53 1.735 23.639 -8.064 428 H LEU 54 H LEU 54 1.826 19.735 -3.551 429 HA LEU 54 HA LEU 54 4.071 19.344 -5.277 430 HB2 LEU 54 2HB LEU 54 4.391 20.027 -2.981 431 HB3 LEU 54 3HB LEU 54 3.596 18.563 -2.405 432 HG LEU 54 HG LEU 54 6.179 18.740 -2.311 433 HD11 LEU 54 1HD1 LEU 54 5.154 16.249 -3.614 434 HD12 LEU 54 2HD1 LEU 54 4.618 16.712 -1.999 435 HD13 LEU 54 3HD1 LEU 54 6.330 16.426 -2.312 436 HD21 LEU 54 1HD2 LEU 54 6.306 19.443 -4.732 437 HD22 LEU 54 2HD2 LEU 54 5.889 17.780 -5.149 438 HD23 LEU 54 3HD2 LEU 54 7.374 18.121 -4.258 439 H GLU 55 H GLU 55 2.215 17.059 -3.254 440 HA GLU 55 HA GLU 55 3.343 14.743 -4.390 441 HB2 GLU 55 2HB GLU 55 1.880 15.138 -2.213 442 HB3 GLU 55 3HB GLU 55 0.571 14.675 -3.291 443 HG2 GLU 55 2HG GLU 55 2.427 12.737 -3.786 444 HG3 GLU 55 3HG GLU 55 2.663 13.051 -2.068 445 H CYS 56 H CYS 56 0.027 15.993 -4.817 446 HA CYS 56 HA CYS 56 -0.283 14.427 -7.233 447 HB2 CYS 56 2HB CYS 56 -2.035 15.296 -5.290 448 HB3 CYS 56 3HB CYS 56 -2.385 16.376 -6.633 449 HG CYS 56 HG CYS 56 -2.219 13.068 -7.316 450 H LEU 57 H LEU 57 -1.798 15.940 -8.874 451 HA LEU 57 HA LEU 57 -0.105 18.255 -9.541 452 HB2 LEU 57 2HB LEU 57 -0.259 15.891 -10.972 453 HB3 LEU 57 3HB LEU 57 -1.339 16.979 -11.840 454 HG LEU 57 HG LEU 57 0.829 17.063 -12.856 455 HD11 LEU 57 1HD1 LEU 57 0.463 19.543 -11.185 456 HD12 LEU 57 2HD1 LEU 57 -0.453 19.170 -12.644 457 HD13 LEU 57 3HD1 LEU 57 1.290 19.418 -12.737 458 HD21 LEU 57 1HD2 LEU 57 1.997 17.975 -10.240 459 HD22 LEU 57 2HD2 LEU 57 2.843 17.517 -11.718 460 HD23 LEU 57 3HD2 LEU 57 2.020 16.289 -10.756 461 H ASP 58 H ASP 58 -3.171 16.722 -10.538 462 HA ASP 58 HA ASP 58 -4.357 19.348 -10.937 463 HB2 ASP 58 2HB ASP 58 -5.718 16.678 -11.289 464 HB3 ASP 58 3HB ASP 58 -6.157 18.223 -12.013 465 H TYR 59 H TYR 59 -6.294 20.025 -9.917 466 HA TYR 59 HA TYR 59 -7.512 18.575 -7.803 467 HB2 TYR 59 2HB TYR 59 -6.776 19.891 -5.906 468 HB3 TYR 59 3HB TYR 59 -5.373 19.179 -6.695 469 HD1 TYR 59 HD1 TYR 59 -6.792 22.163 -5.429 470 HD2 TYR 59 HD2 TYR 59 -4.145 20.699 -8.421 471 HE1 TYR 59 HE1 TYR 59 -5.773 24.394 -5.610 472 HE2 TYR 59 HE2 TYR 59 -3.118 22.926 -8.610 473 HH TYR 59 HH TYR 59 -4.401 25.624 -7.711 474 H LEU 60 H LEU 60 -8.186 20.151 -10.166 475 HA LEU 60 HA LEU 60 -9.908 22.171 -8.888 476 HB2 LEU 60 2HB LEU 60 -7.961 22.810 -10.582 477 HB3 LEU 60 3HB LEU 60 -9.210 22.419 -11.762 478 HG LEU 60 HG LEU 60 -9.897 24.315 -9.576 479 HD11 LEU 60 1HD1 LEU 60 -7.748 25.160 -10.240 480 HD12 LEU 60 2HD1 LEU 60 -9.004 26.185 -10.933 481 HD13 LEU 60 3HD1 LEU 60 -8.169 25.008 -11.946 482 HD21 LEU 60 1HD2 LEU 60 -11.699 24.499 -10.854 483 HD22 LEU 60 2HD2 LEU 60 -10.989 23.423 -12.058 484 HD23 LEU 60 3HD2 LEU 60 -10.697 25.160 -12.145 Start of MODEL 3 1 H LEU 1 H LEU 1 7.310 1.770 4.912 2 HA LEU 1 HA LEU 1 10.104 1.291 4.646 3 HB2 LEU 1 2HB LEU 1 8.458 -1.171 5.143 4 HB3 LEU 1 3HB LEU 1 10.210 -1.037 5.007 5 HG LEU 1 HG LEU 1 8.611 0.125 7.283 6 HD11 LEU 1 1HD1 LEU 1 8.402 -1.929 8.090 7 HD12 LEU 1 2HD1 LEU 1 10.160 -2.028 8.175 8 HD13 LEU 1 3HD1 LEU 1 9.314 -2.605 6.740 9 HD21 LEU 1 1HD2 LEU 1 11.049 -0.191 8.265 10 HD22 LEU 1 2HD2 LEU 1 10.585 1.260 7.376 11 HD23 LEU 1 3HD2 LEU 1 11.489 -0.021 6.565 12 H LYS 2 H LYS 2 8.928 2.466 2.775 13 HA LYS 2 HA LYS 2 8.834 0.637 0.580 14 HB2 LYS 2 2HB LYS 2 6.523 0.440 1.522 15 HB3 LYS 2 3HB LYS 2 6.294 2.154 1.199 16 HG2 LYS 2 2HG LYS 2 7.201 1.017 -1.203 17 HG3 LYS 2 3HG LYS 2 5.976 -0.079 -0.558 18 HD2 LYS 2 2HD LYS 2 4.376 1.713 -0.414 19 HD3 LYS 2 3HD LYS 2 5.602 2.898 -0.873 20 HE2 LYS 2 2HE LYS 2 5.552 2.300 -3.073 21 HE3 LYS 2 3HE LYS 2 5.125 0.626 -2.721 22 HZ1 LYS 2 1HZ LYS 2 3.401 2.947 -3.083 23 HZ2 LYS 2 2HZ LYS 2 2.922 1.827 -1.909 24 HZ3 LYS 2 3HZ LYS 2 3.144 1.331 -3.511 25 H GLU 3 H GLU 3 9.590 1.631 -1.183 26 HA GLU 3 HA GLU 3 9.156 4.490 -1.549 27 HB2 GLU 3 2HB GLU 3 11.680 3.319 -0.710 28 HB3 GLU 3 3HB GLU 3 11.839 4.189 -2.229 29 HG2 GLU 3 2HG GLU 3 10.381 5.941 -0.743 30 HG3 GLU 3 3HG GLU 3 11.405 5.192 0.481 31 H ASN 4 H ASN 4 8.571 4.840 -3.580 32 HA ASN 4 HA ASN 4 9.890 3.555 -5.787 33 HB2 ASN 4 2HB ASN 4 7.822 2.113 -4.772 34 HB3 ASN 4 3HB ASN 4 6.974 3.114 -5.946 35 HD21 ASN 4 1HD2 ASN 4 6.943 0.488 -6.354 36 HD22 ASN 4 2HD2 ASN 4 7.978 0.044 -7.665 37 H ASP 5 H ASP 5 6.932 5.311 -4.867 38 HA ASP 5 HA ASP 5 7.655 7.595 -6.408 39 HB2 ASP 5 2HB ASP 5 5.883 5.556 -7.611 40 HB3 ASP 5 3HB ASP 5 5.324 7.221 -7.736 41 H HIS 6 H HIS 6 4.531 6.064 -5.632 42 HA HIS 6 HA HIS 6 3.351 8.422 -4.661 43 HB2 HIS 6 2HB HIS 6 2.232 6.221 -5.409 44 HB3 HIS 6 3HB HIS 6 2.526 5.670 -3.763 45 HD1 HIS 6 HD1 HIS 6 1.143 8.948 -5.134 46 HD2 HIS 6 HD2 HIS 6 0.204 5.944 -2.422 47 HE1 HIS 6 HE1 HIS 6 -1.017 9.661 -4.062 48 H ALA 7 H ALA 7 5.414 6.079 -3.159 49 HA ALA 7 HA ALA 7 4.771 6.618 -0.456 50 HB1 ALA 7 1HB ALA 7 6.106 4.872 -0.176 51 HB2 ALA 7 2HB ALA 7 6.592 4.959 -1.870 52 HB3 ALA 7 3HB ALA 7 7.493 5.855 -0.646 53 H ARG 8 H ARG 8 7.589 7.666 -2.384 54 HA ARG 8 HA ARG 8 8.623 9.452 -0.510 55 HB2 ARG 8 2HB ARG 8 9.810 10.485 -2.423 56 HB3 ARG 8 3HB ARG 8 9.932 8.731 -2.412 57 HG2 ARG 8 2HG ARG 8 8.410 8.512 -4.197 58 HG3 ARG 8 3HG ARG 8 7.890 10.192 -4.057 59 HD2 ARG 8 2HD ARG 8 10.729 10.073 -4.454 60 HD3 ARG 8 3HD ARG 8 9.909 9.139 -5.705 61 HE ARG 8 HE ARG 8 8.510 11.454 -5.642 62 HH11 ARG 8 1HH1 ARG 8 12.258 12.109 -6.889 63 HH12 ARG 8 2HH1 ARG 8 11.898 10.708 -5.935 64 HH21 ARG 8 1HH2 ARG 8 10.592 13.584 -7.436 65 HH22 ARG 8 2HH2 ARG 8 8.971 13.302 -6.898 66 H PHE 9 H PHE 9 5.993 9.793 -2.756 67 HA PHE 9 HA PHE 9 5.851 12.649 -2.629 68 HB2 PHE 9 2HB PHE 9 4.163 10.469 -3.765 69 HB3 PHE 9 3HB PHE 9 3.411 12.038 -3.493 70 HD1 PHE 9 HD1 PHE 9 5.242 14.012 -4.244 71 HD2 PHE 9 HD2 PHE 9 4.727 10.149 -5.956 72 HE1 PHE 9 HE1 PHE 9 6.181 14.831 -6.366 73 HE2 PHE 9 HE2 PHE 9 5.667 10.961 -8.079 74 HZ PHE 9 HZ PHE 9 6.396 13.304 -8.286 75 H LEU 10 H LEU 10 3.733 10.086 -1.334 76 HA LEU 10 HA LEU 10 2.090 11.707 0.207 77 HB2 LEU 10 2HB LEU 10 2.353 9.004 -0.254 78 HB3 LEU 10 3HB LEU 10 2.693 9.151 1.469 79 HG LEU 10 HG LEU 10 0.338 10.652 0.828 80 HD11 LEU 10 1HD1 LEU 10 -0.428 9.406 -0.886 81 HD12 LEU 10 2HD1 LEU 10 -0.886 8.294 0.404 82 HD13 LEU 10 3HD1 LEU 10 0.608 8.034 -0.496 83 HD21 LEU 10 1HD2 LEU 10 1.257 9.422 2.971 84 HD22 LEU 10 2HD2 LEU 10 0.290 8.090 2.339 85 HD23 LEU 10 3HD2 LEU 10 -0.473 9.637 2.708 86 H GLN 11 H GLN 11 5.153 10.150 1.074 87 HA GLN 11 HA GLN 11 5.229 10.797 3.773 88 HB2 GLN 11 2HB GLN 11 6.837 9.328 2.454 89 HB3 GLN 11 3HB GLN 11 7.651 10.812 1.977 90 HG2 GLN 11 2HG GLN 11 7.994 11.327 4.381 91 HG3 GLN 11 3HG GLN 11 7.315 9.748 4.770 92 HE21 GLN 11 1HE2 GLN 11 9.444 9.518 5.814 93 HE22 GLN 11 2HE2 GLN 11 10.761 8.935 4.861 94 H THR 12 H THR 12 6.444 12.665 1.004 95 HA THR 12 HA THR 12 7.484 14.827 2.434 96 HB THR 12 HB THR 12 6.308 14.739 -0.348 97 HG1 THR 12 HG1 THR 12 8.159 13.567 -0.334 98 HG21 THR 12 1HG2 THR 12 7.314 16.987 1.251 99 HG22 THR 12 2HG2 THR 12 6.302 16.986 -0.194 100 HG23 THR 12 3HG2 THR 12 8.052 16.834 -0.343 101 H ALA 13 H ALA 13 4.272 14.466 0.934 102 HA ALA 13 HA ALA 13 3.175 16.903 1.603 103 HB1 ALA 13 1HB ALA 13 2.118 14.233 0.984 104 HB2 ALA 13 2HB ALA 13 1.022 15.283 1.883 105 HB3 ALA 13 3HB ALA 13 1.676 15.812 0.333 106 H LYS 14 H LYS 14 3.290 13.952 3.572 107 HA LYS 14 HA LYS 14 1.886 15.073 5.779 108 HB2 LYS 14 2HB LYS 14 3.557 12.612 5.380 109 HB3 LYS 14 3HB LYS 14 3.018 13.068 6.990 110 HG2 LYS 14 2HG LYS 14 0.768 13.205 5.292 111 HG3 LYS 14 3HG LYS 14 1.597 11.685 4.948 112 HD2 LYS 14 2HD LYS 14 0.157 11.118 6.683 113 HD3 LYS 14 3HD LYS 14 1.684 11.417 7.516 114 HE2 LYS 14 2HE LYS 14 0.887 13.231 8.586 115 HE3 LYS 14 3HE LYS 14 -0.032 13.779 7.184 116 HZ1 LYS 14 1HZ LYS 14 -1.870 12.918 8.036 117 HZ2 LYS 14 2HZ LYS 14 -1.023 12.568 9.457 118 HZ3 LYS 14 3HZ LYS 14 -1.151 11.400 8.239 119 H ASN 15 H ASN 15 5.328 14.522 5.101 120 HA ASN 15 HA ASN 15 6.385 15.391 7.517 121 HB2 ASN 15 2HB ASN 15 7.386 14.670 4.984 122 HB3 ASN 15 3HB ASN 15 8.053 16.262 5.334 123 HD21 ASN 15 1HD2 ASN 15 9.372 13.667 5.184 124 HD22 ASN 15 2HD2 ASN 15 10.140 13.433 6.714 125 H ILE 16 H ILE 16 4.966 17.201 4.936 126 HA ILE 16 HA ILE 16 6.112 19.730 5.613 127 HB ILE 16 HB ILE 16 3.652 19.061 3.996 128 HG12 ILE 16 2HG1 ILE 16 6.134 20.166 2.792 129 HG13 ILE 16 3HG1 ILE 16 6.190 18.493 3.335 130 HG21 ILE 16 1HG2 ILE 16 3.895 21.390 3.132 131 HG22 ILE 16 2HG2 ILE 16 3.403 21.289 4.821 132 HG23 ILE 16 3HG2 ILE 16 5.072 21.684 4.411 133 HD11 ILE 16 1HD1 ILE 16 5.053 19.584 0.958 134 HD12 ILE 16 2HD1 ILE 16 5.249 17.896 1.430 135 HD13 ILE 16 3HD1 ILE 16 3.797 18.779 1.898 136 H THR 17 H THR 17 2.863 18.339 6.082 137 HA THR 17 HA THR 17 1.973 20.491 7.729 138 HB THR 17 HB THR 17 0.579 17.919 8.049 139 HG1 THR 17 HG1 THR 17 1.063 19.062 5.503 140 HG21 THR 17 1HG2 THR 17 -0.468 19.944 8.789 141 HG22 THR 17 2HG2 THR 17 -1.351 19.369 7.375 142 HG23 THR 17 3HG2 THR 17 -0.216 20.709 7.221 143 H GLU 18 H GLU 18 3.709 17.561 8.302 144 HA GLU 18 HA GLU 18 3.099 17.395 11.105 145 HB2 GLU 18 2HB GLU 18 5.005 15.985 9.268 146 HB3 GLU 18 3HB GLU 18 5.161 15.803 11.010 147 HG2 GLU 18 2HG GLU 18 2.787 15.053 11.072 148 HG3 GLU 18 3HG GLU 18 2.790 15.076 9.310 149 H ARG 19 H ARG 19 5.697 18.711 9.131 150 HA ARG 19 HA ARG 19 7.425 19.321 11.316 151 HB2 ARG 19 2HB ARG 19 8.088 19.047 8.875 152 HB3 ARG 19 3HB ARG 19 7.430 20.656 8.612 153 HG2 ARG 19 2HG ARG 19 9.112 20.988 10.777 154 HG3 ARG 19 3HG ARG 19 9.973 19.850 9.739 155 HD2 ARG 19 2HD ARG 19 9.620 21.403 7.835 156 HD3 ARG 19 3HD ARG 19 8.895 22.555 8.957 157 HE ARG 19 HE ARG 19 11.415 21.866 9.938 158 HH11 ARG 19 1HH1 ARG 19 11.366 24.571 6.987 159 HH12 ARG 19 2HH1 ARG 19 10.008 23.520 7.216 160 HH21 ARG 19 1HH2 ARG 19 13.186 24.413 8.369 161 HH22 ARG 19 2HH2 ARG 19 13.209 23.244 9.646 162 H VAL 20 H VAL 20 5.142 21.226 9.376 163 HA VAL 20 HA VAL 20 5.602 23.721 10.524 164 HB VAL 20 HB VAL 20 4.239 23.466 8.525 165 HG11 VAL 20 1HG1 VAL 20 3.133 21.355 9.212 166 HG12 VAL 20 2HG1 VAL 20 2.114 22.287 10.310 167 HG13 VAL 20 3HG1 VAL 20 2.013 22.556 8.570 168 HG21 VAL 20 1HG2 VAL 20 2.310 24.928 9.206 169 HG22 VAL 20 2HG2 VAL 20 2.838 24.725 10.876 170 HG23 VAL 20 3HG2 VAL 20 3.901 25.504 9.704 171 H SER 21 H SER 21 3.524 21.073 11.580 172 HA SER 21 HA SER 21 2.227 22.483 13.663 173 HB2 SER 21 2HB SER 21 1.058 20.568 13.209 174 HB3 SER 21 3HB SER 21 2.514 19.636 12.859 175 HG SER 21 HG SER 21 1.882 18.844 14.768 176 H MET 22 H MET 22 4.971 20.212 13.705 177 HA MET 22 HA MET 22 5.507 20.311 16.434 178 HB2 MET 22 2HB MET 22 6.524 18.826 14.558 179 HB3 MET 22 3HB MET 22 7.714 20.112 14.409 180 HG2 MET 22 2HG MET 22 8.643 19.682 16.455 181 HG3 MET 22 3HG MET 22 7.163 18.977 17.101 182 HE1 MET 22 1HE MET 22 10.251 17.244 14.338 183 HE2 MET 22 2HE MET 22 8.693 17.220 13.511 184 HE3 MET 22 3HE MET 22 9.338 18.739 14.134 185 H ALA 23 H ALA 23 6.073 22.656 13.972 186 HA ALA 23 HA ALA 23 8.046 24.131 15.494 187 HB1 ALA 23 1HB ALA 23 7.171 24.072 12.785 188 HB2 ALA 23 2HB ALA 23 7.010 25.719 13.396 189 HB3 ALA 23 3HB ALA 23 8.567 24.896 13.479 190 H THR 24 H THR 24 4.604 24.201 14.918 191 HA THR 24 HA THR 24 4.206 26.823 16.019 192 HB THR 24 HB THR 24 1.775 25.406 16.159 193 HG1 THR 24 HG1 THR 24 3.009 24.928 13.648 194 HG21 THR 24 1HG2 THR 24 1.385 27.469 15.356 195 HG22 THR 24 2HG2 THR 24 1.686 26.749 13.775 196 HG23 THR 24 3HG2 THR 24 2.984 27.587 14.624 197 H ALA 25 H ALA 25 3.504 23.516 17.144 198 HA ALA 25 HA ALA 25 2.555 24.257 19.688 199 HB1 ALA 25 1HB ALA 25 3.152 21.848 20.274 200 HB2 ALA 25 2HB ALA 25 2.000 22.098 18.962 201 HB3 ALA 25 3HB ALA 25 3.678 21.695 18.597 202 H SER 26 H SER 26 5.740 22.951 18.744 203 HA SER 26 HA SER 26 6.969 23.138 21.227 204 HB2 SER 26 2HB SER 26 7.873 22.008 19.147 205 HB3 SER 26 3HB SER 26 8.375 23.604 18.592 206 HG SER 26 HG SER 26 9.917 23.650 20.063 207 H SER 27 H SER 27 6.421 25.591 18.789 208 HA SER 27 HA SER 27 8.183 27.556 19.742 209 HB2 SER 27 2HB SER 27 7.343 28.047 17.635 210 HB3 SER 27 3HB SER 27 5.695 27.598 18.074 211 HG SER 27 HG SER 27 7.105 29.967 18.658 212 H GLN 28 H GLN 28 4.696 27.146 20.357 213 HA GLN 28 HA GLN 28 5.043 28.747 22.806 214 HB2 GLN 28 2HB GLN 28 2.810 28.652 20.810 215 HB3 GLN 28 3HB GLN 28 2.478 29.107 22.476 216 HG2 GLN 28 2HG GLN 28 4.708 30.612 21.689 217 HG3 GLN 28 3HG GLN 28 3.567 30.676 20.346 218 HE21 GLN 28 1HE2 GLN 28 2.829 32.709 20.554 219 HE22 GLN 28 2HE2 GLN 28 1.995 33.311 21.943 220 H VAL 29 H VAL 29 2.422 26.668 21.608 221 HA VAL 29 HA VAL 29 2.894 24.469 23.266 222 HB VAL 29 HB VAL 29 2.501 25.892 25.162 223 HG11 VAL 29 1HG1 VAL 29 -0.033 26.690 23.739 224 HG12 VAL 29 2HG1 VAL 29 0.303 27.054 25.433 225 HG13 VAL 29 3HG1 VAL 29 1.332 27.722 24.166 226 HG21 VAL 29 1HG2 VAL 29 0.733 24.707 26.243 227 HG22 VAL 29 2HG2 VAL 29 -0.025 24.314 24.700 228 HG23 VAL 29 3HG2 VAL 29 1.522 23.587 25.132 229 H LEU 30 H LEU 30 0.619 26.506 21.578 230 HA LEU 30 HA LEU 30 -1.039 25.994 20.098 231 HB2 LEU 30 2HB LEU 30 0.625 23.960 19.753 232 HB3 LEU 30 3HB LEU 30 -0.707 23.066 20.483 233 HG LEU 30 HG LEU 30 -1.962 24.527 18.522 234 HD11 LEU 30 1HD1 LEU 30 0.717 24.706 17.876 235 HD12 LEU 30 2HD1 LEU 30 -0.643 24.951 16.781 236 HD13 LEU 30 3HD1 LEU 30 0.133 23.371 16.884 237 HD21 LEU 30 1HD2 LEU 30 -2.022 22.036 19.246 238 HD22 LEU 30 2HD2 LEU 30 -0.847 21.811 17.950 239 HD23 LEU 30 3HD2 LEU 30 -2.444 22.466 17.589 240 H ILE 31 H ILE 31 -2.580 26.787 21.561 241 HA ILE 31 HA ILE 31 -4.429 24.767 22.510 242 HB ILE 31 HB ILE 31 -4.615 25.919 24.763 243 HG12 ILE 31 2HG1 ILE 31 -1.824 26.695 24.812 244 HG13 ILE 31 3HG1 ILE 31 -2.717 27.629 23.616 245 HG21 ILE 31 1HG2 ILE 31 -2.018 24.481 24.250 246 HG22 ILE 31 2HG2 ILE 31 -2.926 24.542 25.760 247 HG23 ILE 31 3HG2 ILE 31 -3.589 23.687 24.368 248 HD11 ILE 31 1HD1 ILE 31 -3.795 27.313 26.380 249 HD12 ILE 31 2HD1 ILE 31 -2.535 28.499 26.038 250 HD13 ILE 31 3HD1 ILE 31 -4.085 28.592 25.202 251 HA PRO 32 HA PRO 32 -7.432 27.752 21.351 252 HB2 PRO 32 2HB PRO 32 -9.464 27.148 23.047 253 HB3 PRO 32 3HB PRO 32 -9.013 26.118 21.683 254 HG2 PRO 32 2HG PRO 32 -8.309 25.843 24.580 255 HG3 PRO 32 3HG PRO 32 -8.813 24.593 23.427 256 HD2 PRO 32 2HD PRO 32 -6.223 24.979 24.117 257 HD3 PRO 32 3HD PRO 32 -6.708 24.417 22.504 258 H GLU 33 H GLU 33 -6.122 29.561 22.142 259 HA GLU 33 HA GLU 33 -6.735 30.557 24.804 260 HB2 GLU 33 2HB GLU 33 -4.640 30.969 22.846 261 HB3 GLU 33 3HB GLU 33 -5.269 32.502 23.431 262 HG2 GLU 33 2HG GLU 33 -4.965 30.962 25.718 263 HG3 GLU 33 3HG GLU 33 -3.546 30.594 24.739 264 H ILE 34 H ILE 34 -6.571 32.304 21.713 265 HA ILE 34 HA ILE 34 -9.312 33.222 22.025 266 HB ILE 34 HB ILE 34 -7.008 35.174 21.950 267 HG12 ILE 34 2HG1 ILE 34 -9.045 34.585 24.109 268 HG13 ILE 34 3HG1 ILE 34 -7.332 34.183 24.167 269 HG21 ILE 34 1HG2 ILE 34 -8.430 36.674 21.147 270 HG22 ILE 34 2HG2 ILE 34 -9.676 35.432 21.043 271 HG23 ILE 34 3HG2 ILE 34 -9.513 36.396 22.510 272 HD11 ILE 34 1HD1 ILE 34 -7.200 36.839 23.725 273 HD12 ILE 34 2HD1 ILE 34 -8.695 36.732 24.655 274 HD13 ILE 34 3HD1 ILE 34 -7.193 36.094 25.324 275 H ASN 35 H ASN 35 -6.498 34.450 20.223 276 HA ASN 35 HA ASN 35 -7.997 33.971 17.738 277 HB2 ASN 35 2HB ASN 35 -6.418 36.200 18.702 278 HB3 ASN 35 3HB ASN 35 -5.810 35.621 17.154 279 HD21 ASN 35 1HD2 ASN 35 -7.566 37.947 18.291 280 HD22 ASN 35 2HD2 ASN 35 -8.809 38.083 17.099 281 H LEU 36 H LEU 36 -5.509 32.740 19.558 282 HA LEU 36 HA LEU 36 -3.454 32.163 17.812 283 HB2 LEU 36 2HB LEU 36 -3.263 31.625 20.129 284 HB3 LEU 36 3HB LEU 36 -4.628 30.514 20.039 285 HG LEU 36 HG LEU 36 -2.287 29.889 18.336 286 HD11 LEU 36 1HD1 LEU 36 -1.476 28.648 20.550 287 HD12 LEU 36 2HD1 LEU 36 -2.169 30.093 21.285 288 HD13 LEU 36 3HD1 LEU 36 -0.889 30.244 20.082 289 HD21 LEU 36 1HD2 LEU 36 -3.552 28.067 18.164 290 HD22 LEU 36 2HD2 LEU 36 -4.586 28.575 19.500 291 HD23 LEU 36 3HD2 LEU 36 -3.095 27.689 19.825 292 H ASN 37 H ASN 37 -6.518 30.446 18.249 293 HA ASN 37 HA ASN 37 -6.022 28.262 16.590 294 HB2 ASN 37 2HB ASN 37 -8.356 29.535 17.791 295 HB3 ASN 37 3HB ASN 37 -8.718 28.810 16.227 296 HD21 ASN 37 1HD2 ASN 37 -7.880 26.553 15.944 297 HD22 ASN 37 2HD2 ASN 37 -8.026 25.489 17.297 298 H ASP 38 H ASP 38 -7.467 31.412 15.797 299 HA ASP 38 HA ASP 38 -7.961 30.939 13.093 300 HB2 ASP 38 2HB ASP 38 -7.392 33.455 14.645 301 HB3 ASP 38 3HB ASP 38 -7.690 33.494 12.909 302 H THR 39 H THR 39 -5.116 32.444 14.616 303 HA THR 39 HA THR 39 -3.637 32.901 12.301 304 HB THR 39 HB THR 39 -1.828 32.149 14.375 305 HG1 THR 39 HG1 THR 39 -2.825 33.784 15.915 306 HG21 THR 39 1HG2 THR 39 -1.676 33.988 12.636 307 HG22 THR 39 2HG2 THR 39 -1.168 34.425 14.267 308 HG23 THR 39 3HG2 THR 39 -2.749 34.929 13.671 309 H PHE 40 H PHE 40 -3.457 30.111 14.515 310 HA PHE 40 HA PHE 40 -1.573 28.648 13.060 311 HB2 PHE 40 2HB PHE 40 -2.286 28.165 15.404 312 HB3 PHE 40 3HB PHE 40 -3.798 27.522 14.770 313 HD1 PHE 40 HD1 PHE 40 -0.366 27.097 13.425 314 HD2 PHE 40 HD2 PHE 40 -3.704 25.266 15.328 315 HE1 PHE 40 HE1 PHE 40 0.692 24.893 13.152 316 HE2 PHE 40 HE2 PHE 40 -2.651 23.059 15.059 317 HZ PHE 40 HZ PHE 40 -0.450 22.870 13.971 318 H ASP 41 H ASP 41 -5.103 28.691 12.873 319 HA ASP 41 HA ASP 41 -5.463 26.571 11.097 320 HB2 ASP 41 2HB ASP 41 -7.035 28.878 12.007 321 HB3 ASP 41 3HB ASP 41 -7.452 28.325 10.388 322 H THR 42 H THR 42 -5.475 30.042 10.265 323 HA THR 42 HA THR 42 -5.423 29.752 7.510 324 HB THR 42 HB THR 42 -5.548 31.897 9.104 325 HG1 THR 42 HG1 THR 42 -5.905 32.822 7.227 326 HG21 THR 42 1HG2 THR 42 -3.607 33.238 9.066 327 HG22 THR 42 2HG2 THR 42 -2.803 32.182 7.904 328 HG23 THR 42 3HG2 THR 42 -3.054 31.639 9.563 329 H PHE 43 H PHE 43 -2.859 29.393 9.822 330 HA PHE 43 HA PHE 43 -0.702 29.634 7.965 331 HB2 PHE 43 2HB PHE 43 -0.474 29.977 10.430 332 HB3 PHE 43 3HB PHE 43 -0.711 28.247 10.652 333 HD1 PHE 43 HD1 PHE 43 1.353 27.639 11.583 334 HD2 PHE 43 HD2 PHE 43 1.238 29.875 7.963 335 HE1 PHE 43 HE1 PHE 43 3.767 27.271 11.283 336 HE2 PHE 43 HE2 PHE 43 3.651 29.509 7.657 337 HZ PHE 43 HZ PHE 43 4.919 28.205 9.317 338 H ALA 44 H ALA 44 -1.988 26.798 9.710 339 HA ALA 44 HA ALA 44 -0.580 24.858 8.297 340 HB1 ALA 44 1HB ALA 44 -2.942 24.901 10.046 341 HB2 ALA 44 2HB ALA 44 -2.840 23.523 8.949 342 HB3 ALA 44 3HB ALA 44 -1.523 23.853 10.074 343 H LEU 45 H LEU 45 -3.826 26.170 7.686 344 HA LEU 45 HA LEU 45 -4.674 24.610 5.617 345 HB2 LEU 45 2HB LEU 45 -5.662 26.776 6.750 346 HB3 LEU 45 3HB LEU 45 -4.981 27.558 5.324 347 HG LEU 45 HG LEU 45 -7.252 27.154 4.835 348 HD11 LEU 45 1HD1 LEU 45 -7.147 25.801 2.906 349 HD12 LEU 45 2HD1 LEU 45 -5.840 24.821 3.570 350 HD13 LEU 45 3HD1 LEU 45 -5.537 26.494 3.100 351 HD21 LEU 45 1HD2 LEU 45 -7.348 24.268 5.111 352 HD22 LEU 45 2HD2 LEU 45 -8.468 25.498 5.697 353 HD23 LEU 45 3HD2 LEU 45 -7.044 25.076 6.649 354 H ASP 46 H ASP 46 -2.883 27.663 5.150 355 HA ASP 46 HA ASP 46 -2.461 27.534 2.450 356 HB2 ASP 46 2HB ASP 46 -1.557 29.143 4.489 357 HB3 ASP 46 3HB ASP 46 -0.068 28.407 3.902 358 H PHE 47 H PHE 47 -0.464 26.049 4.982 359 HA PHE 47 HA PHE 47 1.541 24.994 3.377 360 HB2 PHE 47 2HB PHE 47 0.557 24.584 6.080 361 HB3 PHE 47 3HB PHE 47 1.146 23.084 5.369 362 HD1 PHE 47 HD1 PHE 47 3.438 23.562 3.933 363 HD2 PHE 47 HD2 PHE 47 2.088 25.681 7.369 364 HE1 PHE 47 HE1 PHE 47 5.753 24.239 4.420 365 HE2 PHE 47 HE2 PHE 47 4.400 26.362 7.861 366 HZ PHE 47 HZ PHE 47 6.236 25.642 6.386 367 H SER 48 H SER 48 -1.498 23.458 4.411 368 HA SER 48 HA SER 48 -1.197 21.001 3.191 369 HB2 SER 48 2HB SER 48 -3.095 21.823 4.709 370 HB3 SER 48 3HB SER 48 -3.838 22.456 3.240 371 HG SER 48 HG SER 48 -3.800 20.329 2.401 372 H ARG 49 H ARG 49 -2.513 23.990 1.801 373 HA ARG 49 HA ARG 49 -3.361 23.125 -0.649 374 HB2 ARG 49 2HB ARG 49 -3.034 25.561 0.484 375 HB3 ARG 49 3HB ARG 49 -1.751 25.603 -0.718 376 HG2 ARG 49 2HG ARG 49 -4.553 24.836 -1.450 377 HG3 ARG 49 3HG ARG 49 -4.042 26.523 -1.370 378 HD2 ARG 49 2HD ARG 49 -2.041 25.466 -2.846 379 HD3 ARG 49 3HD ARG 49 -3.381 24.428 -3.331 380 HE ARG 49 HE ARG 49 -4.371 26.968 -3.516 381 HH11 ARG 49 1HH1 ARG 49 -1.615 26.210 -6.318 382 HH12 ARG 49 2HH1 ARG 49 -1.642 25.275 -4.860 383 HH21 ARG 49 1HH2 ARG 49 -3.153 27.877 -6.642 384 HH22 ARG 49 2HH2 ARG 49 -4.346 28.205 -5.432 385 H GLU 50 H GLU 50 -0.036 23.842 0.329 386 HA GLU 50 HA GLU 50 1.033 23.246 -2.276 387 HB2 GLU 50 2HB GLU 50 1.953 24.763 -0.265 388 HB3 GLU 50 3HB GLU 50 2.803 23.270 0.109 389 HG2 GLU 50 2HG GLU 50 4.202 23.482 -1.621 390 HG3 GLU 50 3HG GLU 50 2.937 24.056 -2.705 391 H LYS 51 H LYS 51 0.498 21.539 0.716 392 HA LYS 51 HA LYS 51 2.225 19.365 0.338 393 HB2 LYS 51 2HB LYS 51 1.242 18.481 2.187 394 HB3 LYS 51 3HB LYS 51 0.599 20.111 2.335 395 HG2 LYS 51 2HG LYS 51 -1.326 18.946 2.592 396 HG3 LYS 51 3HG LYS 51 -1.328 19.080 0.832 397 HD2 LYS 51 2HD LYS 51 -0.042 16.847 0.880 398 HD3 LYS 51 3HD LYS 51 -0.613 16.723 2.546 399 HE2 LYS 51 2HE LYS 51 -2.935 17.017 1.705 400 HE3 LYS 51 3HE LYS 51 -2.303 16.976 0.060 401 HZ1 LYS 51 1HZ LYS 51 -2.961 14.819 1.732 402 HZ2 LYS 51 2HZ LYS 51 -1.302 14.751 1.409 403 HZ3 LYS 51 3HZ LYS 51 -2.411 14.781 0.132 404 H LYS 52 H LYS 52 -0.877 20.119 -1.048 405 HA LYS 52 HA LYS 52 -1.305 17.457 -2.087 406 HB2 LYS 52 2HB LYS 52 -3.250 18.756 -1.498 407 HB3 LYS 52 3HB LYS 52 -2.742 20.076 -2.544 408 HG2 LYS 52 2HG LYS 52 -4.487 18.914 -3.653 409 HG3 LYS 52 3HG LYS 52 -2.981 18.521 -4.486 410 HD2 LYS 52 2HD LYS 52 -2.879 16.376 -3.451 411 HD3 LYS 52 3HD LYS 52 -4.199 16.779 -2.350 412 HE2 LYS 52 2HE LYS 52 -5.543 17.138 -4.561 413 HE3 LYS 52 3HE LYS 52 -4.284 16.124 -5.264 414 HZ1 LYS 52 1HZ LYS 52 -4.967 14.307 -4.104 415 HZ2 LYS 52 2HZ LYS 52 -6.456 15.095 -4.254 416 HZ3 LYS 52 3HZ LYS 52 -5.584 15.203 -2.809 417 H LEU 53 H LEU 53 -0.678 20.660 -3.524 418 HA LEU 53 HA LEU 53 -0.435 19.902 -6.167 419 HB2 LEU 53 2HB LEU 53 -0.070 22.215 -4.735 420 HB3 LEU 53 3HB LEU 53 1.549 21.884 -5.350 421 HG LEU 53 HG LEU 53 0.039 21.573 -7.598 422 HD11 LEU 53 1HD1 LEU 53 -1.251 23.906 -7.385 423 HD12 LEU 53 2HD1 LEU 53 -1.419 23.334 -5.725 424 HD13 LEU 53 3HD1 LEU 53 -2.016 22.350 -7.062 425 HD21 LEU 53 1HD2 LEU 53 0.711 24.252 -7.620 426 HD22 LEU 53 2HD2 LEU 53 1.746 22.910 -8.110 427 HD23 LEU 53 3HD2 LEU 53 1.844 23.546 -6.468 428 H LEU 54 H LEU 54 1.777 19.415 -3.535 429 HA LEU 54 HA LEU 54 4.066 18.834 -5.150 430 HB2 LEU 54 2HB LEU 54 4.320 19.603 -2.867 431 HB3 LEU 54 3HB LEU 54 3.445 18.194 -2.270 432 HG LEU 54 HG LEU 54 6.026 18.269 -2.080 433 HD11 LEU 54 1HD1 LEU 54 4.371 16.314 -1.774 434 HD12 LEU 54 2HD1 LEU 54 6.081 15.953 -2.001 435 HD13 LEU 54 3HD1 LEU 54 4.957 15.778 -3.348 436 HD21 LEU 54 1HD2 LEU 54 6.107 18.829 -4.624 437 HD22 LEU 54 2HD2 LEU 54 5.941 17.084 -4.821 438 HD23 LEU 54 3HD2 LEU 54 7.308 17.745 -3.922 439 H GLU 55 H GLU 55 1.986 16.755 -3.124 440 HA GLU 55 HA GLU 55 3.016 14.312 -3.965 441 HB2 GLU 55 2HB GLU 55 1.405 14.777 -2.044 442 HB3 GLU 55 3HB GLU 55 0.122 14.754 -3.246 443 HG2 GLU 55 2HG GLU 55 1.326 12.431 -3.830 444 HG3 GLU 55 3HG GLU 55 1.700 12.540 -2.111 445 H CYS 56 H CYS 56 0.014 15.875 -5.100 446 HA CYS 56 HA CYS 56 0.524 14.886 -7.787 447 HB2 CYS 56 2HB CYS 56 -1.632 13.876 -6.010 448 HB3 CYS 56 3HB CYS 56 -2.070 14.199 -7.683 449 HG CYS 56 HG CYS 56 -0.116 11.772 -6.410 450 H LEU 57 H LEU 57 0.316 16.625 -9.019 451 HA LEU 57 HA LEU 57 -0.946 19.003 -8.267 452 HB2 LEU 57 2HB LEU 57 0.162 17.888 -10.776 453 HB3 LEU 57 3HB LEU 57 -0.937 19.257 -10.929 454 HG LEU 57 HG LEU 57 0.809 20.112 -8.992 455 HD11 LEU 57 1HD1 LEU 57 2.921 19.384 -9.324 456 HD12 LEU 57 2HD1 LEU 57 2.673 19.102 -11.047 457 HD13 LEU 57 3HD1 LEU 57 2.089 17.928 -9.868 458 HD21 LEU 57 1HD2 LEU 57 1.897 21.257 -11.099 459 HD22 LEU 57 2HD2 LEU 57 0.259 21.661 -10.583 460 HD23 LEU 57 3HD2 LEU 57 0.511 20.540 -11.922 461 H ASP 58 H ASP 58 -3.008 19.585 -8.202 462 HA ASP 58 HA ASP 58 -4.930 18.969 -10.150 463 HB2 ASP 58 2HB ASP 58 -4.513 16.844 -8.358 464 HB3 ASP 58 3HB ASP 58 -6.016 17.607 -7.848 465 H TYR 59 H TYR 59 -6.394 20.540 -10.049 466 HA TYR 59 HA TYR 59 -7.641 22.285 -9.296 467 HB2 TYR 59 2HB TYR 59 -7.508 20.974 -6.579 468 HB3 TYR 59 3HB TYR 59 -8.750 22.064 -7.185 469 HD1 TYR 59 HD1 TYR 59 -8.375 18.866 -6.253 470 HD2 TYR 59 HD2 TYR 59 -9.544 21.044 -9.716 471 HE1 TYR 59 HE1 TYR 59 -9.688 16.932 -7.019 472 HE2 TYR 59 HE2 TYR 59 -10.860 19.117 -10.491 473 HH TYR 59 HH TYR 59 -10.539 16.040 -9.219 474 H LEU 60 H LEU 60 -5.709 23.590 -9.671 475 HA LEU 60 HA LEU 60 -4.192 24.363 -7.309 476 HB2 LEU 60 2HB LEU 60 -2.702 25.438 -8.750 477 HB3 LEU 60 3HB LEU 60 -3.182 23.975 -9.607 478 HG LEU 60 HG LEU 60 -4.968 25.812 -10.568 479 HD11 LEU 60 1HD1 LEU 60 -3.277 27.434 -9.268 480 HD12 LEU 60 2HD1 LEU 60 -4.107 27.890 -10.756 481 HD13 LEU 60 3HD1 LEU 60 -2.440 27.316 -10.816 482 HD21 LEU 60 1HD2 LEU 60 -2.478 24.539 -11.497 483 HD22 LEU 60 2HD2 LEU 60 -3.018 25.939 -12.425 484 HD23 LEU 60 3HD2 LEU 60 -4.088 24.551 -12.217 Start of MODEL 4 1 H LEU 1 H LEU 1 5.037 4.431 3.471 2 HA LEU 1 HA LEU 1 7.319 5.153 3.218 3 HB2 LEU 1 2HB LEU 1 6.743 2.913 5.061 4 HB3 LEU 1 3HB LEU 1 8.441 3.311 4.808 5 HG LEU 1 HG LEU 1 7.313 5.765 5.324 6 HD11 LEU 1 1HD1 LEU 1 5.893 3.649 6.913 7 HD12 LEU 1 2HD1 LEU 1 5.200 4.985 5.996 8 HD13 LEU 1 3HD1 LEU 1 6.078 5.305 7.492 9 HD21 LEU 1 1HD2 LEU 1 8.583 3.813 7.242 10 HD22 LEU 1 2HD2 LEU 1 8.415 5.548 7.511 11 HD23 LEU 1 3HD2 LEU 1 9.427 4.953 6.193 12 H LYS 2 H LYS 2 6.943 1.660 2.681 13 HA LYS 2 HA LYS 2 9.471 1.605 1.217 14 HB2 LYS 2 2HB LYS 2 8.864 -0.155 2.931 15 HB3 LYS 2 3HB LYS 2 7.630 -0.713 1.809 16 HG2 LYS 2 2HG LYS 2 10.149 -0.497 0.459 17 HG3 LYS 2 3HG LYS 2 10.322 -1.472 1.919 18 HD2 LYS 2 2HD LYS 2 8.154 -1.908 -0.128 19 HD3 LYS 2 3HD LYS 2 9.705 -2.750 -0.156 20 HE2 LYS 2 2HE LYS 2 9.106 -4.135 1.498 21 HE3 LYS 2 3HE LYS 2 8.385 -2.834 2.445 22 HZ1 LYS 2 1HZ LYS 2 7.030 -4.807 1.153 23 HZ2 LYS 2 2HZ LYS 2 6.855 -3.485 0.113 24 HZ3 LYS 2 3HZ LYS 2 6.361 -3.362 1.726 25 H GLU 3 H GLU 3 8.941 2.685 -0.682 26 HA GLU 3 HA GLU 3 7.877 1.115 -2.761 27 HB2 GLU 3 2HB GLU 3 5.915 2.497 -1.257 28 HB3 GLU 3 3HB GLU 3 6.065 3.336 -2.795 29 HG2 GLU 3 2HG GLU 3 5.882 0.984 -3.837 30 HG3 GLU 3 3HG GLU 3 5.248 0.511 -2.261 31 H ASN 4 H ASN 4 7.233 2.811 -4.686 32 HA ASN 4 HA ASN 4 9.366 4.842 -4.715 33 HB2 ASN 4 2HB ASN 4 9.418 2.540 -6.198 34 HB3 ASN 4 3HB ASN 4 8.670 3.671 -7.322 35 HD21 ASN 4 1HD2 ASN 4 11.416 2.336 -6.963 36 HD22 ASN 4 2HD2 ASN 4 12.522 3.640 -7.217 37 H ASP 5 H ASP 5 8.956 6.737 -5.869 38 HA ASP 5 HA ASP 5 7.732 8.401 -6.841 39 HB2 ASP 5 2HB ASP 5 5.496 6.478 -7.414 40 HB3 ASP 5 3HB ASP 5 5.999 7.895 -8.332 41 H HIS 6 H HIS 6 5.204 6.263 -5.520 42 HA HIS 6 HA HIS 6 3.729 8.362 -4.360 43 HB2 HIS 6 2HB HIS 6 2.889 6.042 -4.934 44 HB3 HIS 6 3HB HIS 6 3.682 5.478 -3.465 45 HD1 HIS 6 HD1 HIS 6 1.264 4.792 -2.637 46 HD2 HIS 6 HD2 HIS 6 1.897 8.872 -3.105 47 HE1 HIS 6 HE1 HIS 6 -0.622 5.911 -1.406 48 H ALA 7 H ALA 7 6.458 6.545 -3.253 49 HA ALA 7 HA ALA 7 6.173 6.989 -0.472 50 HB1 ALA 7 1HB ALA 7 7.670 5.309 -0.921 51 HB2 ALA 7 2HB ALA 7 8.419 6.183 -2.258 52 HB3 ALA 7 3HB ALA 7 8.767 6.651 -0.593 53 H ARG 8 H ARG 8 7.930 8.744 -3.010 54 HA ARG 8 HA ARG 8 8.930 10.734 -1.213 55 HB2 ARG 8 2HB ARG 8 9.735 11.861 -3.210 56 HB3 ARG 8 3HB ARG 8 10.092 10.142 -3.306 57 HG2 ARG 8 2HG ARG 8 8.486 9.771 -4.945 58 HG3 ARG 8 3HG ARG 8 7.633 11.273 -4.580 59 HD2 ARG 8 2HD ARG 8 9.514 12.558 -5.464 60 HD3 ARG 8 3HD ARG 8 10.377 11.061 -5.814 61 HE ARG 8 HE ARG 8 7.806 11.185 -7.067 62 HH11 ARG 8 1HH1 ARG 8 11.097 12.287 -9.061 63 HH12 ARG 8 2HH1 ARG 8 11.140 12.149 -7.335 64 HH21 ARG 8 1HH2 ARG 8 9.161 11.840 -10.201 65 HH22 ARG 8 2HH2 ARG 8 7.737 11.363 -9.340 66 H PHE 9 H PHE 9 6.014 10.278 -2.991 67 HA PHE 9 HA PHE 9 5.236 13.052 -2.976 68 HB2 PHE 9 2HB PHE 9 3.909 10.483 -3.779 69 HB3 PHE 9 3HB PHE 9 2.953 11.951 -3.601 70 HD1 PHE 9 HD1 PHE 9 4.495 14.053 -4.695 71 HD2 PHE 9 HD2 PHE 9 4.251 10.006 -5.991 72 HE1 PHE 9 HE1 PHE 9 5.135 14.745 -6.968 73 HE2 PHE 9 HE2 PHE 9 4.891 10.691 -8.265 74 HZ PHE 9 HZ PHE 9 5.335 13.064 -8.756 75 H LEU 10 H LEU 10 4.276 10.122 -1.213 76 HA LEU 10 HA LEU 10 2.408 11.465 0.464 77 HB2 LEU 10 2HB LEU 10 2.958 8.858 -0.119 78 HB3 LEU 10 3HB LEU 10 3.613 9.006 1.510 79 HG LEU 10 HG LEU 10 0.828 9.936 0.959 80 HD11 LEU 10 1HD1 LEU 10 1.048 7.176 1.892 81 HD12 LEU 10 2HD1 LEU 10 1.557 7.412 0.221 82 HD13 LEU 10 3HD1 LEU 10 -0.061 7.898 0.726 83 HD21 LEU 10 1HD2 LEU 10 2.104 10.270 3.139 84 HD22 LEU 10 2HD2 LEU 10 1.943 8.528 3.367 85 HD23 LEU 10 3HD2 LEU 10 0.503 9.540 3.249 86 H GLN 11 H GLN 11 5.744 10.341 0.927 87 HA GLN 11 HA GLN 11 6.057 11.036 3.599 88 HB2 GLN 11 2HB GLN 11 7.696 9.717 2.324 89 HB3 GLN 11 3HB GLN 11 8.132 11.150 1.402 90 HG2 GLN 11 2HG GLN 11 9.768 10.695 3.130 91 HG3 GLN 11 3HG GLN 11 8.942 12.223 3.432 92 HE21 GLN 11 1HE2 GLN 11 8.691 12.504 5.522 93 HE22 GLN 11 2HE2 GLN 11 8.210 11.300 6.664 94 H THR 12 H THR 12 6.700 12.991 0.700 95 HA THR 12 HA THR 12 7.635 15.286 1.979 96 HB THR 12 HB THR 12 6.116 15.025 -0.621 97 HG1 THR 12 HG1 THR 12 8.406 15.473 -1.338 98 HG21 THR 12 1HG2 THR 12 5.886 17.261 -0.447 99 HG22 THR 12 2HG2 THR 12 7.600 17.292 -0.860 100 HG23 THR 12 3HG2 THR 12 7.098 17.386 0.828 101 H ALA 13 H ALA 13 4.322 14.502 0.930 102 HA ALA 13 HA ALA 13 3.032 16.804 1.733 103 HB1 ALA 13 1HB ALA 13 2.226 13.998 1.312 104 HB2 ALA 13 2HB ALA 13 1.128 14.987 2.276 105 HB3 ALA 13 3HB ALA 13 1.560 15.487 0.640 106 H LYS 14 H LYS 14 3.772 13.923 3.669 107 HA LYS 14 HA LYS 14 2.540 14.895 6.042 108 HB2 LYS 14 2HB LYS 14 4.291 12.607 5.314 109 HB3 LYS 14 3HB LYS 14 4.251 13.074 7.009 110 HG2 LYS 14 2HG LYS 14 1.581 12.968 6.003 111 HG3 LYS 14 3HG LYS 14 2.421 11.467 5.605 112 HD2 LYS 14 2HD LYS 14 3.215 11.648 8.113 113 HD3 LYS 14 3HD LYS 14 1.759 12.634 8.266 114 HE2 LYS 14 2HE LYS 14 1.392 10.120 6.797 115 HE3 LYS 14 3HE LYS 14 1.840 9.921 8.490 116 HZ1 LYS 14 1HZ LYS 14 -0.042 11.118 9.186 117 HZ2 LYS 14 2HZ LYS 14 -0.608 10.055 7.998 118 HZ3 LYS 14 3HZ LYS 14 -0.373 11.689 7.628 119 H ASN 15 H ASN 15 5.906 14.774 4.917 120 HA ASN 15 HA ASN 15 7.136 15.828 7.178 121 HB2 ASN 15 2HB ASN 15 8.456 14.873 5.399 122 HB3 ASN 15 3HB ASN 15 7.884 16.089 4.260 123 HD21 ASN 15 1HD2 ASN 15 9.232 16.159 7.545 124 HD22 ASN 15 2HD2 ASN 15 10.458 17.325 7.198 125 H ILE 16 H ILE 16 5.175 17.365 4.793 126 HA ILE 16 HA ILE 16 6.088 20.036 5.252 127 HB ILE 16 HB ILE 16 3.550 18.997 3.991 128 HG12 ILE 16 2HG1 ILE 16 5.666 20.438 2.477 129 HG13 ILE 16 3HG1 ILE 16 6.031 18.797 2.998 130 HG21 ILE 16 1HG2 ILE 16 3.040 21.165 4.811 131 HG22 ILE 16 2HG2 ILE 16 4.588 21.807 4.264 132 HG23 ILE 16 3HG2 ILE 16 3.363 21.336 3.086 133 HD11 ILE 16 1HD1 ILE 16 4.481 19.672 0.782 134 HD12 ILE 16 2HD1 ILE 16 4.928 18.030 1.247 135 HD13 ILE 16 3HD1 ILE 16 3.447 18.753 1.875 136 H THR 17 H THR 17 3.130 18.284 6.200 137 HA THR 17 HA THR 17 2.259 20.381 7.945 138 HB THR 17 HB THR 17 1.163 17.664 8.357 139 HG1 THR 17 HG1 THR 17 1.346 17.468 6.175 140 HG21 THR 17 1HG2 THR 17 -0.972 19.021 7.999 141 HG22 THR 17 2HG2 THR 17 0.073 20.442 7.972 142 HG23 THR 17 3HG2 THR 17 0.005 19.424 9.410 143 H GLU 18 H GLU 18 4.437 17.772 8.237 144 HA GLU 18 HA GLU 18 4.161 17.474 11.098 145 HB2 GLU 18 2HB GLU 18 6.044 16.327 9.049 146 HB3 GLU 18 3HB GLU 18 6.300 16.084 10.772 147 HG2 GLU 18 2HG GLU 18 3.607 15.454 9.746 148 HG3 GLU 18 3HG GLU 18 4.918 14.394 9.230 149 H ARG 19 H ARG 19 6.135 19.270 8.861 150 HA ARG 19 HA ARG 19 8.110 20.011 10.822 151 HB2 ARG 19 2HB ARG 19 8.865 19.895 8.567 152 HB3 ARG 19 3HB ARG 19 7.552 20.920 8.003 153 HG2 ARG 19 2HG ARG 19 8.511 22.833 9.123 154 HG3 ARG 19 3HG ARG 19 9.784 21.822 9.811 155 HD2 ARG 19 2HD ARG 19 9.681 21.477 6.964 156 HD3 ARG 19 3HD ARG 19 9.805 23.191 7.358 157 HE ARG 19 HE ARG 19 11.669 21.800 8.908 158 HH11 ARG 19 1HH1 ARG 19 12.735 22.555 5.124 159 HH12 ARG 19 2HH1 ARG 19 11.061 22.581 5.570 160 HH21 ARG 19 1HH2 ARG 19 14.335 22.088 6.696 161 HH22 ARG 19 2HH2 ARG 19 13.876 21.762 8.333 162 H VAL 20 H VAL 20 5.179 21.385 9.477 163 HA VAL 20 HA VAL 20 5.530 24.002 10.537 164 HB VAL 20 HB VAL 20 4.011 23.608 8.674 165 HG11 VAL 20 1HG1 VAL 20 2.264 22.126 10.635 166 HG12 VAL 20 2HG1 VAL 20 1.921 22.430 8.931 167 HG13 VAL 20 3HG1 VAL 20 3.250 21.364 9.388 168 HG21 VAL 20 1HG2 VAL 20 1.987 24.788 9.611 169 HG22 VAL 20 2HG2 VAL 20 2.743 24.648 11.198 170 HG23 VAL 20 3HG2 VAL 20 3.538 25.568 9.921 171 H SER 21 H SER 21 3.956 21.069 11.700 172 HA SER 21 HA SER 21 2.750 22.280 13.977 173 HB2 SER 21 2HB SER 21 3.277 19.444 13.135 174 HB3 SER 21 3HB SER 21 2.675 19.797 14.754 175 HG SER 21 HG SER 21 0.786 19.949 13.873 176 H MET 22 H MET 22 5.801 20.617 13.393 177 HA MET 22 HA MET 22 6.659 20.298 16.025 178 HB2 MET 22 2HB MET 22 7.704 19.673 13.619 179 HB3 MET 22 3HB MET 22 8.711 21.056 14.028 180 HG2 MET 22 2HG MET 22 9.613 20.009 15.892 181 HG3 MET 22 3HG MET 22 8.307 18.830 15.980 182 HE1 MET 22 1HE MET 22 11.791 18.769 12.968 183 HE2 MET 22 2HE MET 22 10.730 20.154 13.227 184 HE3 MET 22 3HE MET 22 11.841 19.645 14.499 185 H ALA 23 H ALA 23 6.982 23.066 13.843 186 HA ALA 23 HA ALA 23 8.580 24.646 15.555 187 HB1 ALA 23 1HB ALA 23 7.279 26.495 14.067 188 HB2 ALA 23 2HB ALA 23 8.684 25.583 13.513 189 HB3 ALA 23 3HB ALA 23 7.060 25.054 13.073 190 H THR 24 H THR 24 5.076 24.755 14.895 191 HA THR 24 HA THR 24 4.388 26.764 16.672 192 HB THR 24 HB THR 24 2.294 24.862 16.775 193 HG1 THR 24 HG1 THR 24 3.154 25.147 14.097 194 HG21 THR 24 1HG2 THR 24 1.646 26.583 14.737 195 HG22 THR 24 2HG2 THR 24 2.851 27.500 15.642 196 HG23 THR 24 3HG2 THR 24 1.406 26.899 16.455 197 H ALA 25 H ALA 25 4.757 23.294 17.261 198 HA ALA 25 HA ALA 25 3.845 23.311 19.934 199 HB1 ALA 25 1HB ALA 25 5.898 21.321 19.246 200 HB2 ALA 25 2HB ALA 25 4.275 21.103 19.904 201 HB3 ALA 25 3HB ALA 25 4.498 21.364 18.174 202 H SER 26 H SER 26 7.068 23.654 18.508 203 HA SER 26 HA SER 26 8.515 23.662 20.924 204 HB2 SER 26 2HB SER 26 9.142 24.875 18.225 205 HB3 SER 26 3HB SER 26 10.291 24.819 19.562 206 HG SER 26 HG SER 26 10.643 23.030 18.289 207 H SER 27 H SER 27 6.422 25.964 19.559 208 HA SER 27 HA SER 27 7.598 28.171 21.085 209 HB2 SER 27 2HB SER 27 7.024 28.661 18.759 210 HB3 SER 27 3HB SER 27 5.357 28.162 19.048 211 HG SER 27 HG SER 27 6.537 30.542 19.532 212 H GLN 28 H GLN 28 5.142 25.840 21.274 213 HA GLN 28 HA GLN 28 3.510 25.424 22.802 214 HB2 GLN 28 2HB GLN 28 5.443 26.310 24.313 215 HB3 GLN 28 3HB GLN 28 4.438 27.746 24.457 216 HG2 GLN 28 2HG GLN 28 2.863 25.392 24.909 217 HG3 GLN 28 3HG GLN 28 4.285 25.388 25.951 218 HE21 GLN 28 1HE2 GLN 28 1.166 26.240 25.848 219 HE22 GLN 28 2HE2 GLN 28 1.163 27.558 26.965 220 H VAL 29 H VAL 29 2.482 26.618 20.756 221 HA VAL 29 HA VAL 29 0.729 28.711 21.864 222 HB VAL 29 HB VAL 29 2.417 29.550 20.155 223 HG11 VAL 29 1HG1 VAL 29 0.710 28.624 17.956 224 HG12 VAL 29 2HG1 VAL 29 2.465 28.786 18.043 225 HG13 VAL 29 3HG1 VAL 29 1.675 27.362 18.722 226 HG21 VAL 29 1HG2 VAL 29 0.925 31.132 19.332 227 HG22 VAL 29 2HG2 VAL 29 -0.397 29.970 19.215 228 HG23 VAL 29 3HG2 VAL 29 0.126 30.554 20.795 229 H LEU 30 H LEU 30 0.517 25.719 21.500 230 HA LEU 30 HA LEU 30 -1.712 25.557 19.610 231 HB2 LEU 30 2HB LEU 30 -0.091 23.475 21.051 232 HB3 LEU 30 3HB LEU 30 -1.553 23.085 20.147 233 HG LEU 30 HG LEU 30 -0.350 24.201 18.154 234 HD11 LEU 30 1HD1 LEU 30 1.524 25.231 18.980 235 HD12 LEU 30 2HD1 LEU 30 2.199 23.684 18.467 236 HD13 LEU 30 3HD1 LEU 30 1.832 23.965 20.169 237 HD21 LEU 30 1HD2 LEU 30 -0.690 21.957 17.869 238 HD22 LEU 30 2HD2 LEU 30 0.143 21.526 19.363 239 HD23 LEU 30 3HD2 LEU 30 1.072 21.995 17.938 240 H ILE 31 H ILE 31 -2.425 27.072 21.701 241 HA ILE 31 HA ILE 31 -4.380 25.375 23.057 242 HB ILE 31 HB ILE 31 -3.997 26.591 25.204 243 HG12 ILE 31 2HG1 ILE 31 -1.266 27.288 24.847 244 HG13 ILE 31 3HG1 ILE 31 -2.177 28.064 23.556 245 HG21 ILE 31 1HG2 ILE 31 -3.141 24.312 24.770 246 HG22 ILE 31 2HG2 ILE 31 -1.616 25.017 24.235 247 HG23 ILE 31 3HG2 ILE 31 -2.143 25.218 25.906 248 HD11 ILE 31 1HD1 ILE 31 -3.354 29.389 25.000 249 HD12 ILE 31 2HD1 ILE 31 -3.178 28.265 26.349 250 HD13 ILE 31 3HD1 ILE 31 -1.811 29.259 25.845 251 HA PRO 32 HA PRO 32 -7.171 28.649 22.180 252 HB2 PRO 32 2HB PRO 32 -8.923 28.404 24.239 253 HB3 PRO 32 3HB PRO 32 -8.846 27.251 22.901 254 HG2 PRO 32 2HG PRO 32 -7.672 27.047 25.648 255 HG3 PRO 32 3HG PRO 32 -8.516 25.811 24.697 256 HD2 PRO 32 2HD PRO 32 -5.817 25.901 24.902 257 HD3 PRO 32 3HD PRO 32 -6.645 25.318 23.444 258 H GLU 33 H GLU 33 -8.100 30.659 23.038 259 HA GLU 33 HA GLU 33 -7.446 31.772 25.515 260 HB2 GLU 33 2HB GLU 33 -5.273 31.778 23.626 261 HB3 GLU 33 3HB GLU 33 -5.771 33.429 23.968 262 HG2 GLU 33 2HG GLU 33 -5.418 31.603 26.272 263 HG3 GLU 33 3HG GLU 33 -3.970 32.152 25.430 264 H ILE 34 H ILE 34 -7.156 33.133 22.234 265 HA ILE 34 HA ILE 34 -9.739 34.443 22.527 266 HB ILE 34 HB ILE 34 -7.209 36.022 22.047 267 HG12 ILE 34 2HG1 ILE 34 -9.160 36.059 24.360 268 HG13 ILE 34 3HG1 ILE 34 -7.526 35.406 24.404 269 HG21 ILE 34 1HG2 ILE 34 -9.475 37.661 22.530 270 HG22 ILE 34 2HG2 ILE 34 -8.474 37.566 21.082 271 HG23 ILE 34 3HG2 ILE 34 -9.885 36.520 21.249 272 HD11 ILE 34 1HD1 ILE 34 -8.406 38.067 24.872 273 HD12 ILE 34 2HD1 ILE 34 -6.782 37.392 25.012 274 HD13 ILE 34 3HD1 ILE 34 -7.331 38.058 23.474 275 H ASN 35 H ASN 35 -6.913 34.978 20.427 276 HA ASN 35 HA ASN 35 -8.556 34.100 18.144 277 HB2 ASN 35 2HB ASN 35 -6.456 36.261 17.981 278 HB3 ASN 35 3HB ASN 35 -7.681 35.846 16.786 279 HD21 ASN 35 1HD2 ASN 35 -6.913 38.254 18.600 280 HD22 ASN 35 2HD2 ASN 35 -8.452 38.805 19.161 281 H LEU 36 H LEU 36 -6.703 32.534 19.719 282 HA LEU 36 HA LEU 36 -4.313 32.251 18.110 283 HB2 LEU 36 2HB LEU 36 -4.286 31.966 20.567 284 HB3 LEU 36 3HB LEU 36 -5.318 30.549 20.386 285 HG LEU 36 HG LEU 36 -2.677 30.628 18.992 286 HD11 LEU 36 1HD1 LEU 36 -3.140 30.418 21.919 287 HD12 LEU 36 2HD1 LEU 36 -1.781 31.109 21.033 288 HD13 LEU 36 3HD1 LEU 36 -1.938 29.358 21.182 289 HD21 LEU 36 1HD2 LEU 36 -4.772 28.752 19.400 290 HD22 LEU 36 2HD2 LEU 36 -3.327 28.154 20.216 291 HD23 LEU 36 3HD2 LEU 36 -3.270 28.550 18.497 292 H ASN 37 H ASN 37 -7.249 30.385 18.791 293 HA ASN 37 HA ASN 37 -6.644 28.112 17.293 294 HB2 ASN 37 2HB ASN 37 -8.598 28.463 18.887 295 HB3 ASN 37 3HB ASN 37 -9.413 29.284 17.559 296 HD21 ASN 37 1HD2 ASN 37 -7.876 26.244 18.470 297 HD22 ASN 37 2HD2 ASN 37 -8.851 25.240 17.456 298 H ASP 38 H ASP 38 -7.418 31.292 16.277 299 HA ASP 38 HA ASP 38 -8.324 30.536 13.641 300 HB2 ASP 38 2HB ASP 38 -9.287 32.537 14.432 301 HB3 ASP 38 3HB ASP 38 -7.736 33.166 14.981 302 H THR 39 H THR 39 -5.467 32.214 14.952 303 HA THR 39 HA THR 39 -4.045 32.452 12.571 304 HB THR 39 HB THR 39 -2.368 31.879 14.916 305 HG1 THR 39 HG1 THR 39 -3.373 33.131 16.292 306 HG21 THR 39 1HG2 THR 39 -1.790 34.381 14.278 307 HG22 THR 39 2HG2 THR 39 -2.635 33.949 12.792 308 HG23 THR 39 3HG2 THR 39 -1.219 33.030 13.301 309 H PHE 40 H PHE 40 -3.944 29.850 14.994 310 HA PHE 40 HA PHE 40 -1.989 28.282 13.748 311 HB2 PHE 40 2HB PHE 40 -2.924 28.023 16.098 312 HB3 PHE 40 3HB PHE 40 -4.293 27.193 15.365 313 HD1 PHE 40 HD1 PHE 40 -0.673 27.005 14.539 314 HD2 PHE 40 HD2 PHE 40 -4.108 24.987 16.036 315 HE1 PHE 40 HE1 PHE 40 0.591 24.894 14.583 316 HE2 PHE 40 HE2 PHE 40 -2.850 22.873 16.084 317 HZ PHE 40 HZ PHE 40 -0.497 22.825 15.358 318 H ASP 41 H ASP 41 -5.516 28.264 13.428 319 HA ASP 41 HA ASP 41 -5.767 26.041 11.762 320 HB2 ASP 41 2HB ASP 41 -7.438 28.226 12.638 321 HB3 ASP 41 3HB ASP 41 -7.724 27.883 10.934 322 H THR 42 H THR 42 -5.780 29.468 10.763 323 HA THR 42 HA THR 42 -5.636 29.017 8.019 324 HB THR 42 HB THR 42 -5.939 31.241 9.446 325 HG1 THR 42 HG1 THR 42 -6.355 31.747 7.439 326 HG21 THR 42 1HG2 THR 42 -3.408 31.028 10.030 327 HG22 THR 42 2HG2 THR 42 -4.076 32.608 9.623 328 HG23 THR 42 3HG2 THR 42 -3.166 31.698 8.418 329 H PHE 43 H PHE 43 -3.203 28.743 10.441 330 HA PHE 43 HA PHE 43 -0.949 29.041 8.701 331 HB2 PHE 43 2HB PHE 43 -0.922 29.396 11.202 332 HB3 PHE 43 3HB PHE 43 -1.014 27.647 11.380 333 HD1 PHE 43 HD1 PHE 43 1.044 27.166 12.379 334 HD2 PHE 43 HD2 PHE 43 0.914 29.537 8.847 335 HE1 PHE 43 HE1 PHE 43 3.493 27.019 12.195 336 HE2 PHE 43 HE2 PHE 43 3.363 29.393 8.656 337 HZ PHE 43 HZ PHE 43 4.656 28.132 10.331 338 H ALA 44 H ALA 44 -2.407 26.221 10.325 339 HA ALA 44 HA ALA 44 -0.829 24.320 8.927 340 HB1 ALA 44 1HB ALA 44 -2.985 22.885 9.738 341 HB2 ALA 44 2HB ALA 44 -1.597 23.270 10.757 342 HB3 ALA 44 3HB ALA 44 -3.053 24.261 10.840 343 H LEU 45 H LEU 45 -4.182 25.431 8.522 344 HA LEU 45 HA LEU 45 -5.041 23.794 6.506 345 HB2 LEU 45 2HB LEU 45 -6.138 25.852 7.728 346 HB3 LEU 45 3HB LEU 45 -5.619 26.707 6.277 347 HG LEU 45 HG LEU 45 -7.871 26.115 5.918 348 HD11 LEU 45 1HD1 LEU 45 -6.209 25.609 4.077 349 HD12 LEU 45 2HD1 LEU 45 -7.772 24.801 3.966 350 HD13 LEU 45 3HD1 LEU 45 -6.360 23.913 4.539 351 HD21 LEU 45 1HD2 LEU 45 -8.194 23.412 6.012 352 HD22 LEU 45 2HD2 LEU 45 -8.665 24.532 7.291 353 HD23 LEU 45 3HD2 LEU 45 -7.116 23.692 7.380 354 H ASP 46 H ASP 46 -3.535 26.986 5.967 355 HA ASP 46 HA ASP 46 -3.297 26.922 3.241 356 HB2 ASP 46 2HB ASP 46 -2.409 28.595 5.213 357 HB3 ASP 46 3HB ASP 46 -0.893 27.958 4.583 358 H PHE 47 H PHE 47 -0.977 25.613 5.595 359 HA PHE 47 HA PHE 47 0.945 24.708 3.798 360 HB2 PHE 47 2HB PHE 47 0.289 24.278 6.598 361 HB3 PHE 47 3HB PHE 47 0.938 22.823 5.849 362 HD1 PHE 47 HD1 PHE 47 2.990 23.546 4.124 363 HD2 PHE 47 HD2 PHE 47 1.861 25.468 7.750 364 HE1 PHE 47 HE1 PHE 47 5.270 24.443 4.355 365 HE2 PHE 47 HE2 PHE 47 4.138 26.368 7.986 366 HZ PHE 47 HZ PHE 47 5.846 25.857 6.287 367 H SER 48 H SER 48 -1.775 22.899 5.219 368 HA SER 48 HA SER 48 -1.384 20.471 3.963 369 HB2 SER 48 2HB SER 48 -3.077 20.869 5.722 370 HB3 SER 48 3HB SER 48 -4.049 21.779 4.565 371 HG SER 48 HG SER 48 -4.816 19.689 4.613 372 H ARG 49 H ARG 49 -3.170 23.297 2.773 373 HA ARG 49 HA ARG 49 -4.266 22.326 0.466 374 HB2 ARG 49 2HB ARG 49 -4.297 24.718 1.452 375 HB3 ARG 49 3HB ARG 49 -2.859 24.982 0.473 376 HG2 ARG 49 2HG ARG 49 -5.047 23.778 -1.022 377 HG3 ARG 49 3HG ARG 49 -5.451 25.353 -0.336 378 HD2 ARG 49 2HD ARG 49 -3.273 26.188 -1.318 379 HD3 ARG 49 3HD ARG 49 -3.190 24.662 -2.197 380 HE ARG 49 HE ARG 49 -5.681 26.013 -2.579 381 HH11 ARG 49 1HH1 ARG 49 -2.681 26.542 -5.178 382 HH12 ARG 49 2HH1 ARG 49 -2.359 25.873 -3.612 383 HH21 ARG 49 1HH2 ARG 49 -4.820 27.123 -5.759 384 HH22 ARG 49 2HH2 ARG 49 -6.118 26.894 -4.637 385 H GLU 50 H GLU 50 -0.917 23.359 0.966 386 HA GLU 50 HA GLU 50 -0.170 22.833 -1.762 387 HB2 GLU 50 2HB GLU 50 0.887 24.413 0.161 388 HB3 GLU 50 3HB GLU 50 1.936 23.011 0.309 389 HG2 GLU 50 2HG GLU 50 1.756 23.503 -2.429 390 HG3 GLU 50 3HG GLU 50 1.921 25.088 -1.677 391 H LYS 51 H LYS 51 -0.141 21.107 1.265 392 HA LYS 51 HA LYS 51 1.707 19.093 0.650 393 HB2 LYS 51 2HB LYS 51 1.063 18.141 2.610 394 HB3 LYS 51 3HB LYS 51 0.291 19.703 2.846 395 HG2 LYS 51 2HG LYS 51 -1.463 18.362 3.348 396 HG3 LYS 51 3HG LYS 51 -1.707 18.481 1.604 397 HD2 LYS 51 2HD LYS 51 -0.204 16.381 1.485 398 HD3 LYS 51 3HD LYS 51 -0.569 16.214 3.204 399 HE2 LYS 51 2HE LYS 51 -2.985 16.272 2.641 400 HE3 LYS 51 3HE LYS 51 -2.552 16.302 0.932 401 HZ1 LYS 51 1HZ LYS 51 -3.105 14.065 1.780 402 HZ2 LYS 51 2HZ LYS 51 -1.768 14.143 2.812 403 HZ3 LYS 51 3HZ LYS 51 -1.544 14.160 1.136 404 H LYS 52 H LYS 52 -1.603 19.560 -0.316 405 HA LYS 52 HA LYS 52 -1.919 16.863 -1.307 406 HB2 LYS 52 2HB LYS 52 -3.880 17.972 -0.450 407 HB3 LYS 52 3HB LYS 52 -3.643 19.333 -1.539 408 HG2 LYS 52 2HG LYS 52 -5.406 18.009 -2.414 409 HG3 LYS 52 3HG LYS 52 -3.998 17.763 -3.449 410 HD2 LYS 52 2HD LYS 52 -3.552 15.637 -2.473 411 HD3 LYS 52 3HD LYS 52 -4.734 15.910 -1.190 412 HE2 LYS 52 2HE LYS 52 -6.406 16.143 -3.184 413 HE3 LYS 52 3HE LYS 52 -5.171 15.251 -4.071 414 HZ1 LYS 52 1HZ LYS 52 -5.311 13.479 -2.464 415 HZ2 LYS 52 2HZ LYS 52 -6.851 13.793 -3.089 416 HZ3 LYS 52 3HZ LYS 52 -6.438 14.342 -1.543 417 H LEU 53 H LEU 53 -1.800 20.106 -2.785 418 HA LEU 53 HA LEU 53 -1.842 19.360 -5.444 419 HB2 LEU 53 2HB LEU 53 -1.958 21.680 -4.569 420 HB3 LEU 53 3HB LEU 53 -0.224 21.612 -4.262 421 HG LEU 53 HG LEU 53 0.183 21.369 -6.671 422 HD11 LEU 53 1HD1 LEU 53 -2.779 21.238 -6.721 423 HD12 LEU 53 2HD1 LEU 53 -1.588 20.390 -7.706 424 HD13 LEU 53 3HD1 LEU 53 -1.972 22.077 -8.046 425 HD21 LEU 53 1HD2 LEU 53 -1.609 23.740 -6.254 426 HD22 LEU 53 2HD2 LEU 53 -0.136 23.622 -7.217 427 HD23 LEU 53 3HD2 LEU 53 -0.042 23.608 -5.455 428 H LEU 54 H LEU 54 0.740 19.113 -3.135 429 HA LEU 54 HA LEU 54 2.837 18.753 -5.048 430 HB2 LEU 54 2HB LEU 54 3.313 19.565 -2.813 431 HB3 LEU 54 3HB LEU 54 2.683 18.074 -2.115 432 HG LEU 54 HG LEU 54 5.244 18.428 -2.281 433 HD11 LEU 54 1HD1 LEU 54 4.279 15.826 -3.399 434 HD12 LEU 54 2HD1 LEU 54 3.867 16.312 -1.755 435 HD13 LEU 54 3HD1 LEU 54 5.557 16.131 -2.223 436 HD21 LEU 54 1HD2 LEU 54 4.800 17.300 -5.028 437 HD22 LEU 54 2HD2 LEU 54 6.299 17.880 -4.303 438 HD23 LEU 54 3HD2 LEU 54 5.034 19.025 -4.750 439 H GLU 55 H GLU 55 1.268 16.495 -2.770 440 HA GLU 55 HA GLU 55 2.416 14.158 -3.738 441 HB2 GLU 55 2HB GLU 55 1.026 14.468 -1.633 442 HB3 GLU 55 3HB GLU 55 -0.394 14.339 -2.660 443 HG2 GLU 55 2HG GLU 55 0.794 12.121 -3.439 444 HG3 GLU 55 3HG GLU 55 1.567 12.260 -1.861 445 H CYS 56 H CYS 56 -0.625 15.722 -4.691 446 HA CYS 56 HA CYS 56 -0.563 14.126 -7.164 447 HB2 CYS 56 2HB CYS 56 -2.434 13.750 -5.240 448 HB3 CYS 56 3HB CYS 56 -3.215 15.004 -6.194 449 HG CYS 56 HG CYS 56 -3.557 13.593 -8.438 450 H LEU 57 H LEU 57 -0.086 15.479 -8.761 451 HA LEU 57 HA LEU 57 -0.354 18.260 -8.692 452 HB2 LEU 57 2HB LEU 57 -0.030 18.133 -11.161 453 HB3 LEU 57 3HB LEU 57 1.184 17.280 -10.210 454 HG LEU 57 HG LEU 57 -1.060 15.615 -11.123 455 HD11 LEU 57 1HD1 LEU 57 -0.534 15.550 -13.397 456 HD12 LEU 57 2HD1 LEU 57 0.962 16.455 -13.173 457 HD13 LEU 57 3HD1 LEU 57 -0.593 17.272 -13.017 458 HD21 LEU 57 1HD2 LEU 57 1.202 14.405 -11.924 459 HD22 LEU 57 2HD2 LEU 57 0.561 14.284 -10.285 460 HD23 LEU 57 3HD2 LEU 57 1.847 15.437 -10.647 461 H ASP 58 H ASP 58 -1.799 19.679 -9.713 462 HA ASP 58 HA ASP 58 -4.232 18.633 -10.889 463 HB2 ASP 58 2HB ASP 58 -4.164 19.230 -8.132 464 HB3 ASP 58 3HB ASP 58 -5.036 20.554 -8.901 465 H TYR 59 H TYR 59 -4.948 19.948 -12.447 466 HA TYR 59 HA TYR 59 -3.516 22.342 -13.051 467 HB2 TYR 59 2HB TYR 59 -5.776 20.836 -14.299 468 HB3 TYR 59 3HB TYR 59 -5.488 22.497 -14.804 469 HD1 TYR 59 HD1 TYR 59 -4.267 22.698 -16.741 470 HD2 TYR 59 HD2 TYR 59 -3.391 19.472 -14.109 471 HE1 TYR 59 HE1 TYR 59 -2.509 21.928 -18.279 472 HE2 TYR 59 HE2 TYR 59 -1.630 18.694 -15.639 473 HH TYR 59 HH TYR 59 -0.165 19.693 -17.420 474 H LEU 60 H LEU 60 -3.950 24.372 -12.488 475 HA LEU 60 HA LEU 60 -6.071 24.967 -10.685 476 HB2 LEU 60 2HB LEU 60 -5.263 27.296 -10.878 477 HB3 LEU 60 3HB LEU 60 -3.996 26.137 -10.479 478 HG LEU 60 HG LEU 60 -3.707 26.237 -13.154 479 HD11 LEU 60 1HD1 LEU 60 -5.530 28.248 -12.749 480 HD12 LEU 60 2HD1 LEU 60 -4.460 28.090 -14.142 481 HD13 LEU 60 3HD1 LEU 60 -3.993 29.111 -12.782 482 HD21 LEU 60 1HD2 LEU 60 -2.512 28.211 -11.211 483 HD22 LEU 60 2HD2 LEU 60 -1.824 27.707 -12.756 484 HD23 LEU 60 3HD2 LEU 60 -1.971 26.547 -11.434 Start of MODEL 5 1 H LEU 1 H LEU 1 3.391 -4.897 -4.733 2 HA LEU 1 HA LEU 1 3.852 -2.571 -5.218 3 HB2 LEU 1 2HB LEU 1 1.743 -3.001 -4.055 4 HB3 LEU 1 3HB LEU 1 2.569 -2.862 -2.505 5 HG LEU 1 HG LEU 1 3.129 -0.458 -3.736 6 HD11 LEU 1 1HD1 LEU 1 1.252 -1.345 -5.366 7 HD12 LEU 1 2HD1 LEU 1 1.327 0.347 -4.877 8 HD13 LEU 1 3HD1 LEU 1 0.193 -0.749 -4.087 9 HD21 LEU 1 1HD2 LEU 1 0.724 -0.803 -1.991 10 HD22 LEU 1 2HD2 LEU 1 1.944 0.471 -1.978 11 HD23 LEU 1 3HD2 LEU 1 2.338 -1.135 -1.362 12 H LYS 2 H LYS 2 6.093 -2.208 -5.162 13 HA LYS 2 HA LYS 2 7.413 -1.715 -2.639 14 HB2 LYS 2 2HB LYS 2 9.388 -1.241 -4.005 15 HB3 LYS 2 3HB LYS 2 8.641 -2.760 -4.482 16 HG2 LYS 2 2HG LYS 2 8.403 -2.055 -6.566 17 HG3 LYS 2 3HG LYS 2 7.558 -0.600 -6.030 18 HD2 LYS 2 2HD LYS 2 9.391 0.683 -6.241 19 HD3 LYS 2 3HD LYS 2 10.451 -0.555 -5.561 20 HE2 LYS 2 2HE LYS 2 9.821 -1.680 -7.940 21 HE3 LYS 2 3HE LYS 2 9.765 0.030 -8.365 22 HZ1 LYS 2 1HZ LYS 2 11.959 -0.537 -8.731 23 HZ2 LYS 2 2HZ LYS 2 12.047 -1.555 -7.384 24 HZ3 LYS 2 3HZ LYS 2 12.024 0.123 -7.175 25 H GLU 3 H GLU 3 8.648 0.332 -2.312 26 HA GLU 3 HA GLU 3 6.871 2.584 -2.746 27 HB2 GLU 3 2HB GLU 3 9.447 2.369 -1.178 28 HB3 GLU 3 3HB GLU 3 8.400 3.781 -1.213 29 HG2 GLU 3 2HG GLU 3 7.589 1.059 -0.217 30 HG3 GLU 3 3HG GLU 3 8.104 2.402 0.802 31 H ASN 4 H ASN 4 7.220 4.261 -4.084 32 HA ASN 4 HA ASN 4 9.854 4.670 -5.260 33 HB2 ASN 4 2HB ASN 4 8.533 3.061 -6.725 34 HB3 ASN 4 3HB ASN 4 7.436 4.401 -7.047 35 HD21 ASN 4 1HD2 ASN 4 8.836 3.110 -9.048 36 HD22 ASN 4 2HD2 ASN 4 9.993 4.202 -9.722 37 H ASP 5 H ASP 5 6.467 5.723 -5.665 38 HA ASP 5 HA ASP 5 7.404 8.500 -5.354 39 HB2 ASP 5 2HB ASP 5 5.477 9.146 -6.819 40 HB3 ASP 5 3HB ASP 5 6.715 8.197 -7.637 41 H HIS 6 H HIS 6 5.623 6.065 -3.986 42 HA HIS 6 HA HIS 6 3.490 7.693 -2.907 43 HB2 HIS 6 2HB HIS 6 3.421 5.157 -3.464 44 HB3 HIS 6 3HB HIS 6 4.216 4.954 -1.906 45 HD1 HIS 6 HD1 HIS 6 1.179 6.923 -3.114 46 HD2 HIS 6 HD2 HIS 6 2.379 4.438 -0.009 47 HE1 HIS 6 HE1 HIS 6 -0.824 6.713 -1.610 48 H ALA 7 H ALA 7 6.640 6.563 -1.940 49 HA ALA 7 HA ALA 7 6.334 7.139 0.845 50 HB1 ALA 7 1HB ALA 7 9.057 7.195 0.276 51 HB2 ALA 7 2HB ALA 7 8.119 5.814 0.848 52 HB3 ALA 7 3HB ALA 7 8.377 6.050 -0.880 53 H ARG 8 H ARG 8 7.462 8.909 -1.967 54 HA ARG 8 HA ARG 8 8.468 11.119 -0.403 55 HB2 ARG 8 2HB ARG 8 8.773 12.200 -2.639 56 HB3 ARG 8 3HB ARG 8 9.593 10.654 -2.468 57 HG2 ARG 8 2HG ARG 8 8.391 9.696 -4.092 58 HG3 ARG 8 3HG ARG 8 6.889 10.461 -3.568 59 HD2 ARG 8 2HD ARG 8 7.138 12.209 -4.972 60 HD3 ARG 8 3HD ARG 8 8.885 12.275 -4.743 61 HE ARG 8 HE ARG 8 7.491 10.972 -6.852 62 HH11 ARG 8 1HH1 ARG 8 11.242 9.862 -6.001 63 HH12 ARG 8 2HH1 ARG 8 10.322 10.757 -4.838 64 HH21 ARG 8 1HH2 ARG 8 10.314 9.315 -8.023 65 HH22 ARG 8 2HH2 ARG 8 8.692 9.793 -8.392 66 H PHE 9 H PHE 9 5.505 10.215 -1.959 67 HA PHE 9 HA PHE 9 4.386 12.855 -2.032 68 HB2 PHE 9 2HB PHE 9 3.507 10.125 -2.718 69 HB3 PHE 9 3HB PHE 9 2.225 11.203 -2.174 70 HD1 PHE 9 HD1 PHE 9 5.231 12.253 -4.034 71 HD2 PHE 9 HD2 PHE 9 1.059 11.429 -4.216 72 HE1 PHE 9 HE1 PHE 9 5.133 13.260 -6.277 73 HE2 PHE 9 HE2 PHE 9 0.955 12.434 -6.459 74 HZ PHE 9 HZ PHE 9 2.993 13.351 -7.493 75 H LEU 10 H LEU 10 4.222 10.093 0.151 76 HA LEU 10 HA LEU 10 2.276 11.340 1.872 77 HB2 LEU 10 2HB LEU 10 3.046 8.763 1.432 78 HB3 LEU 10 3HB LEU 10 3.858 9.120 2.955 79 HG LEU 10 HG LEU 10 1.137 9.989 3.114 80 HD11 LEU 10 1HD1 LEU 10 -0.107 8.085 2.656 81 HD12 LEU 10 2HD1 LEU 10 1.316 7.047 2.593 82 HD13 LEU 10 3HD1 LEU 10 0.994 8.181 1.282 83 HD21 LEU 10 1HD2 LEU 10 1.113 8.536 5.041 84 HD22 LEU 10 2HD2 LEU 10 2.646 9.407 4.981 85 HD23 LEU 10 3HD2 LEU 10 2.571 7.716 4.482 86 H GLN 11 H GLN 11 5.742 10.579 2.071 87 HA GLN 11 HA GLN 11 6.208 11.610 4.623 88 HB2 GLN 11 2HB GLN 11 7.801 10.219 3.289 89 HB3 GLN 11 3HB GLN 11 8.140 11.633 2.300 90 HG2 GLN 11 2HG GLN 11 9.111 12.787 4.132 91 HG3 GLN 11 3HG GLN 11 8.553 11.566 5.275 92 HE21 GLN 11 1HE2 GLN 11 10.251 10.531 6.033 93 HE22 GLN 11 2HE2 GLN 11 11.574 9.926 5.101 94 H THR 12 H THR 12 6.534 13.193 1.454 95 HA THR 12 HA THR 12 7.373 15.693 2.388 96 HB THR 12 HB THR 12 5.854 14.935 -0.108 97 HG1 THR 12 HG1 THR 12 8.242 14.430 0.448 98 HG21 THR 12 1HG2 THR 12 7.000 17.314 -0.712 99 HG22 THR 12 2HG2 THR 12 6.550 17.588 0.971 100 HG23 THR 12 3HG2 THR 12 5.321 17.129 -0.207 101 H ALA 13 H ALA 13 4.091 14.659 1.443 102 HA ALA 13 HA ALA 13 2.730 16.977 2.106 103 HB1 ALA 13 1HB ALA 13 1.994 14.131 1.807 104 HB2 ALA 13 2HB ALA 13 0.852 15.156 2.677 105 HB3 ALA 13 3HB ALA 13 1.327 15.566 1.029 106 H LYS 14 H LYS 14 3.294 14.123 4.164 107 HA LYS 14 HA LYS 14 2.046 15.133 6.465 108 HB2 LYS 14 2HB LYS 14 4.070 12.995 5.940 109 HB3 LYS 14 3HB LYS 14 3.746 13.472 7.601 110 HG2 LYS 14 2HG LYS 14 1.504 12.742 5.760 111 HG3 LYS 14 3HG LYS 14 2.442 11.497 6.589 112 HD2 LYS 14 2HD LYS 14 1.596 13.660 8.353 113 HD3 LYS 14 3HD LYS 14 0.244 12.807 7.604 114 HE2 LYS 14 2HE LYS 14 2.458 11.188 8.748 115 HE3 LYS 14 3HE LYS 14 1.352 11.981 9.868 116 HZ1 LYS 14 1HZ LYS 14 -0.461 10.804 9.015 117 HZ2 LYS 14 2HZ LYS 14 0.766 9.646 9.137 118 HZ3 LYS 14 3HZ LYS 14 0.377 10.310 7.630 119 H ASN 15 H ASN 15 5.441 15.233 5.433 120 HA ASN 15 HA ASN 15 6.508 16.461 7.699 121 HB2 ASN 15 2HB ASN 15 7.850 15.465 5.860 122 HB3 ASN 15 3HB ASN 15 7.411 16.828 4.834 123 HD21 ASN 15 1HD2 ASN 15 8.577 18.639 4.940 124 HD22 ASN 15 2HD2 ASN 15 9.849 18.933 6.072 125 H ILE 16 H ILE 16 4.836 17.816 4.928 126 HA ILE 16 HA ILE 16 5.463 20.520 5.313 127 HB ILE 16 HB ILE 16 3.012 19.234 4.115 128 HG12 ILE 16 2HG1 ILE 16 5.051 20.768 2.570 129 HG13 ILE 16 3HG1 ILE 16 5.481 19.156 3.131 130 HG21 ILE 16 1HG2 ILE 16 2.106 21.276 4.526 131 HG22 ILE 16 2HG2 ILE 16 3.673 22.080 4.596 132 HG23 ILE 16 3HG2 ILE 16 2.964 21.667 3.035 133 HD11 ILE 16 1HD1 ILE 16 4.359 18.241 1.465 134 HD12 ILE 16 2HD1 ILE 16 2.888 19.094 1.933 135 HD13 ILE 16 3HD1 ILE 16 4.039 19.858 0.837 136 H THR 17 H THR 17 2.697 18.621 6.495 137 HA THR 17 HA THR 17 1.708 20.828 8.069 138 HB THR 17 HB THR 17 0.692 18.096 8.602 139 HG1 THR 17 HG1 THR 17 -0.105 17.780 6.621 140 HG21 THR 17 1HG2 THR 17 -0.669 19.640 9.593 141 HG22 THR 17 2HG2 THR 17 -1.456 19.554 8.017 142 HG23 THR 17 3HG2 THR 17 -0.341 20.872 8.375 143 H GLU 18 H GLU 18 3.921 18.253 8.503 144 HA GLU 18 HA GLU 18 3.655 18.078 11.363 145 HB2 GLU 18 2HB GLU 18 4.440 16.191 9.906 146 HB3 GLU 18 3HB GLU 18 5.925 17.090 9.632 147 HG2 GLU 18 2HG GLU 18 6.262 17.084 12.122 148 HG3 GLU 18 3HG GLU 18 4.916 15.950 12.221 149 H ARG 19 H ARG 19 5.778 19.708 9.075 150 HA ARG 19 HA ARG 19 7.630 20.657 11.013 151 HB2 ARG 19 2HB ARG 19 7.790 20.477 8.384 152 HB3 ARG 19 3HB ARG 19 7.160 22.118 8.450 153 HG2 ARG 19 2HG ARG 19 9.243 22.021 10.321 154 HG3 ARG 19 3HG ARG 19 9.829 21.176 8.886 155 HD2 ARG 19 2HD ARG 19 9.440 23.057 7.506 156 HD3 ARG 19 3HD ARG 19 8.488 23.864 8.751 157 HE ARG 19 HE ARG 19 10.429 24.683 9.622 158 HH11 ARG 19 1HH1 ARG 19 12.895 22.116 7.790 159 HH12 ARG 19 2HH1 ARG 19 11.180 21.922 7.640 160 HH21 ARG 19 1HH2 ARG 19 13.750 23.838 9.036 161 HH22 ARG 19 2HH2 ARG 19 12.685 24.950 9.828 162 H VAL 20 H VAL 20 4.830 22.121 9.394 163 HA VAL 20 HA VAL 20 5.009 24.683 10.460 164 HB VAL 20 HB VAL 20 3.439 24.212 8.696 165 HG11 VAL 20 1HG1 VAL 20 1.536 22.809 8.916 166 HG12 VAL 20 2HG1 VAL 20 2.918 21.886 9.510 167 HG13 VAL 20 3HG1 VAL 20 1.791 22.622 10.651 168 HG21 VAL 20 1HG2 VAL 20 1.417 25.293 9.598 169 HG22 VAL 20 2HG2 VAL 20 2.025 25.031 11.233 170 HG23 VAL 20 3HG2 VAL 20 2.897 26.092 10.127 171 H SER 21 H SER 21 3.382 21.812 11.767 172 HA SER 21 HA SER 21 2.219 23.004 14.007 173 HB2 SER 21 2HB SER 21 2.106 20.535 12.990 174 HB3 SER 21 3HB SER 21 3.273 20.231 14.276 175 HG SER 21 HG SER 21 0.652 20.418 14.488 176 H MET 22 H MET 22 5.283 21.182 13.838 177 HA MET 22 HA MET 22 6.108 21.677 16.458 178 HB2 MET 22 2HB MET 22 7.092 20.025 14.800 179 HB3 MET 22 3HB MET 22 7.968 21.380 14.100 180 HG2 MET 22 2HG MET 22 9.095 21.770 16.214 181 HG3 MET 22 3HG MET 22 8.186 20.454 16.955 182 HE1 MET 22 1HE MET 22 11.326 20.161 13.678 183 HE2 MET 22 2HE MET 22 10.385 21.563 14.188 184 HE3 MET 22 3HE MET 22 11.779 21.044 15.136 185 H ALA 23 H ALA 23 6.415 23.611 13.550 186 HA ALA 23 HA ALA 23 8.281 25.485 14.581 187 HB1 ALA 23 1HB ALA 23 8.018 25.275 12.209 188 HB2 ALA 23 2HB ALA 23 6.308 25.692 12.313 189 HB3 ALA 23 3HB ALA 23 7.535 26.905 12.678 190 H THR 24 H THR 24 4.782 25.840 13.965 191 HA THR 24 HA THR 24 4.432 28.292 15.207 192 HB THR 24 HB THR 24 2.292 26.206 15.426 193 HG1 THR 24 HG1 THR 24 1.854 26.915 13.129 194 HG21 THR 24 1HG2 THR 24 0.954 28.214 14.577 195 HG22 THR 24 2HG2 THR 24 2.408 29.163 14.886 196 HG23 THR 24 3HG2 THR 24 1.609 28.317 16.211 197 H ALA 25 H ALA 25 4.246 25.039 16.605 198 HA ALA 25 HA ALA 25 3.463 25.851 19.195 199 HB1 ALA 25 1HB ALA 25 3.878 23.635 19.874 200 HB2 ALA 25 2HB ALA 25 3.339 23.522 18.198 201 HB3 ALA 25 3HB ALA 25 5.053 23.375 18.584 202 H SER 26 H SER 26 6.660 24.779 18.017 203 HA SER 26 HA SER 26 8.096 25.356 20.327 204 HB2 SER 26 2HB SER 26 9.108 24.037 18.589 205 HB3 SER 26 3HB SER 26 8.972 25.361 17.432 206 HG SER 26 HG SER 26 10.805 24.963 19.479 207 H SER 27 H SER 27 6.962 27.458 17.796 208 HA SER 27 HA SER 27 8.639 29.664 18.225 209 HB2 SER 27 2HB SER 27 6.082 29.155 16.868 210 HB3 SER 27 3HB SER 27 6.268 30.808 17.454 211 HG SER 27 HG SER 27 7.348 29.707 15.300 212 H GLN 28 H GLN 28 5.491 28.840 19.644 213 HA GLN 28 HA GLN 28 6.044 30.796 21.775 214 HB2 GLN 28 2HB GLN 28 3.538 30.280 20.231 215 HB3 GLN 28 3HB GLN 28 3.410 30.784 21.911 216 HG2 GLN 28 2HG GLN 28 5.213 32.374 20.203 217 HG3 GLN 28 3HG GLN 28 3.489 32.491 19.854 218 HE21 GLN 28 1HE2 GLN 28 6.017 33.539 21.816 219 HE22 GLN 28 2HE2 GLN 28 5.086 34.409 22.982 220 H VAL 29 H VAL 29 3.513 28.345 21.324 221 HA VAL 29 HA VAL 29 4.562 26.401 23.039 222 HB VAL 29 HB VAL 29 4.359 27.990 24.836 223 HG11 VAL 29 1HG1 VAL 29 2.786 29.556 24.902 224 HG12 VAL 29 2HG1 VAL 29 2.113 28.895 23.410 225 HG13 VAL 29 3HG1 VAL 29 1.518 28.333 24.973 226 HG21 VAL 29 1HG2 VAL 29 2.103 25.990 24.950 227 HG22 VAL 29 2HG2 VAL 29 3.792 25.664 25.337 228 HG23 VAL 29 3HG2 VAL 29 2.859 26.778 26.335 229 H LEU 30 H LEU 30 1.747 28.003 21.719 230 HA LEU 30 HA LEU 30 -0.126 27.189 20.713 231 HB2 LEU 30 2HB LEU 30 1.696 25.442 19.969 232 HB3 LEU 30 3HB LEU 30 0.790 24.373 21.038 233 HG LEU 30 HG LEU 30 -1.162 25.513 19.439 234 HD11 LEU 30 1HD1 LEU 30 -0.406 25.947 17.391 235 HD12 LEU 30 2HD1 LEU 30 0.607 24.504 17.370 236 HD13 LEU 30 3HD1 LEU 30 1.206 25.990 18.107 237 HD21 LEU 30 1HD2 LEU 30 -0.637 23.096 20.269 238 HD22 LEU 30 2HD2 LEU 30 0.138 22.930 18.693 239 HD23 LEU 30 3HD2 LEU 30 -1.575 23.341 18.795 240 H ILE 31 H ILE 31 -1.343 27.823 22.545 241 HA ILE 31 HA ILE 31 -2.495 25.550 23.978 242 HB ILE 31 HB ILE 31 -2.496 26.824 26.109 243 HG12 ILE 31 2HG1 ILE 31 -0.315 28.556 25.733 244 HG13 ILE 31 3HG1 ILE 31 -1.402 28.868 24.383 245 HG21 ILE 31 1HG2 ILE 31 0.006 26.544 26.526 246 HG22 ILE 31 2HG2 ILE 31 -0.887 25.127 25.977 247 HG23 ILE 31 3HG2 ILE 31 0.107 26.037 24.840 248 HD11 ILE 31 1HD1 ILE 31 -1.843 29.254 27.301 249 HD12 ILE 31 2HD1 ILE 31 -2.169 30.347 25.955 250 HD13 ILE 31 3HD1 ILE 31 -3.222 28.962 26.241 251 HA PRO 32 HA PRO 32 -6.321 27.557 23.195 252 HB2 PRO 32 2HB PRO 32 -7.791 26.712 25.315 253 HB3 PRO 32 3HB PRO 32 -7.339 25.651 23.975 254 HG2 PRO 32 2HG PRO 32 -6.083 25.929 26.678 255 HG3 PRO 32 3HG PRO 32 -6.444 24.457 25.758 256 HD2 PRO 32 2HD PRO 32 -3.962 25.535 25.867 257 HD3 PRO 32 3HD PRO 32 -4.565 24.670 24.439 258 H GLU 33 H GLU 33 -6.075 29.748 23.381 259 HA GLU 33 HA GLU 33 -6.222 30.904 26.083 260 HB2 GLU 33 2HB GLU 33 -4.733 31.612 23.675 261 HB3 GLU 33 3HB GLU 33 -5.610 32.977 24.352 262 HG2 GLU 33 2HG GLU 33 -4.203 31.432 26.371 263 HG3 GLU 33 3HG GLU 33 -3.132 32.088 25.134 264 H ILE 34 H ILE 34 -7.072 32.175 22.874 265 HA ILE 34 HA ILE 34 -9.856 32.124 23.207 266 HB ILE 34 HB ILE 34 -9.537 33.711 25.004 267 HG12 ILE 34 2HG1 ILE 34 -10.556 35.071 22.500 268 HG13 ILE 34 3HG1 ILE 34 -11.493 34.015 23.551 269 HG21 ILE 34 1HG2 ILE 34 -8.430 35.823 24.731 270 HG22 ILE 34 2HG2 ILE 34 -7.327 34.542 24.231 271 HG23 ILE 34 3HG2 ILE 34 -8.162 35.510 23.016 272 HD11 ILE 34 1HD1 ILE 34 -10.554 36.802 24.018 273 HD12 ILE 34 2HD1 ILE 34 -12.154 36.097 24.249 274 HD13 ILE 34 3HD1 ILE 34 -10.859 35.737 25.390 275 H ASN 35 H ASN 35 -7.093 33.866 21.876 276 HA ASN 35 HA ASN 35 -8.519 34.003 19.304 277 HB2 ASN 35 2HB ASN 35 -7.850 36.205 20.791 278 HB3 ASN 35 3HB ASN 35 -6.456 36.055 19.725 279 HD21 ASN 35 1HD2 ASN 35 -8.425 38.139 19.761 280 HD22 ASN 35 2HD2 ASN 35 -9.186 38.140 18.210 281 H LEU 36 H LEU 36 -6.818 31.904 20.172 282 HA LEU 36 HA LEU 36 -4.484 32.298 18.416 283 HB2 LEU 36 2HB LEU 36 -3.612 31.935 20.548 284 HB3 LEU 36 3HB LEU 36 -4.834 30.729 20.943 285 HG LEU 36 HG LEU 36 -2.924 30.086 18.761 286 HD11 LEU 36 1HD1 LEU 36 -1.962 29.388 21.441 287 HD12 LEU 36 2HD1 LEU 36 -1.857 31.102 21.042 288 HD13 LEU 36 3HD1 LEU 36 -1.072 29.908 20.010 289 HD21 LEU 36 1HD2 LEU 36 -4.599 28.689 20.765 290 HD22 LEU 36 2HD2 LEU 36 -3.089 27.909 20.294 291 HD23 LEU 36 3HD2 LEU 36 -4.297 28.306 19.070 292 H ASN 37 H ASN 37 -7.368 30.575 18.933 293 HA ASN 37 HA ASN 37 -6.672 28.171 17.555 294 HB2 ASN 37 2HB ASN 37 -9.096 29.347 18.744 295 HB3 ASN 37 3HB ASN 37 -9.393 28.312 17.350 296 HD21 ASN 37 1HD2 ASN 37 -7.942 28.455 20.540 297 HD22 ASN 37 2HD2 ASN 37 -8.012 26.758 20.853 298 H ASP 38 H ASP 38 -8.494 31.088 16.652 299 HA ASP 38 HA ASP 38 -9.116 30.363 14.034 300 HB2 ASP 38 2HB ASP 38 -9.216 32.748 15.640 301 HB3 ASP 38 3HB ASP 38 -8.633 33.144 14.025 302 H THR 39 H THR 39 -6.339 32.248 15.224 303 HA THR 39 HA THR 39 -5.078 32.659 12.776 304 HB THR 39 HB THR 39 -3.161 32.189 14.913 305 HG1 THR 39 HG1 THR 39 -4.186 33.099 16.518 306 HG21 THR 39 1HG2 THR 39 -2.906 34.736 14.508 307 HG22 THR 39 2HG2 THR 39 -4.020 34.470 13.167 308 HG23 THR 39 3HG2 THR 39 -2.474 33.622 13.212 309 H PHE 40 H PHE 40 -4.529 30.058 15.149 310 HA PHE 40 HA PHE 40 -2.579 28.676 13.696 311 HB2 PHE 40 2HB PHE 40 -3.294 28.339 16.131 312 HB3 PHE 40 3HB PHE 40 -4.594 27.337 15.494 313 HD1 PHE 40 HD1 PHE 40 -1.037 27.631 14.443 314 HD2 PHE 40 HD2 PHE 40 -4.090 25.164 16.088 315 HE1 PHE 40 HE1 PHE 40 0.489 25.702 14.375 316 HE2 PHE 40 HE2 PHE 40 -2.569 23.231 16.023 317 HZ PHE 40 HZ PHE 40 -0.275 23.499 15.167 318 H ASP 41 H ASP 41 -6.104 28.352 13.712 319 HA ASP 41 HA ASP 41 -6.324 26.112 12.064 320 HB2 ASP 41 2HB ASP 41 -8.119 27.564 13.382 321 HB3 ASP 41 3HB ASP 41 -8.333 28.300 11.796 322 H THR 42 H THR 42 -6.758 29.514 11.075 323 HA THR 42 HA THR 42 -6.827 29.079 8.335 324 HB THR 42 HB THR 42 -7.130 31.278 9.818 325 HG1 THR 42 HG1 THR 42 -6.301 31.213 7.089 326 HG21 THR 42 1HG2 THR 42 -4.503 31.850 8.475 327 HG22 THR 42 2HG2 THR 42 -4.584 31.306 10.151 328 HG23 THR 42 3HG2 THR 42 -5.363 32.814 9.674 329 H PHE 43 H PHE 43 -4.130 29.094 10.508 330 HA PHE 43 HA PHE 43 -2.103 29.513 8.543 331 HB2 PHE 43 2HB PHE 43 -1.866 29.894 11.038 332 HB3 PHE 43 3HB PHE 43 -1.765 28.145 11.213 333 HD1 PHE 43 HD1 PHE 43 0.419 27.829 11.959 334 HD2 PHE 43 HD2 PHE 43 -0.304 30.255 8.537 335 HE1 PHE 43 HE1 PHE 43 2.839 27.926 11.520 336 HE2 PHE 43 HE2 PHE 43 2.114 30.354 8.092 337 HZ PHE 43 HZ PHE 43 3.688 29.188 9.584 338 H ALA 44 H ALA 44 -2.996 26.599 10.401 339 HA ALA 44 HA ALA 44 -1.452 24.785 8.965 340 HB1 ALA 44 1HB ALA 44 -2.206 23.664 10.747 341 HB2 ALA 44 2HB ALA 44 -3.672 24.640 10.858 342 HB3 ALA 44 3HB ALA 44 -3.600 23.279 9.738 343 H LEU 45 H LEU 45 -4.841 25.734 8.465 344 HA LEU 45 HA LEU 45 -5.597 24.046 6.462 345 HB2 LEU 45 2HB LEU 45 -7.284 25.450 7.080 346 HB3 LEU 45 3HB LEU 45 -6.236 26.867 7.119 347 HG LEU 45 HG LEU 45 -6.331 27.043 4.705 348 HD11 LEU 45 1HD1 LEU 45 -8.253 25.430 3.741 349 HD12 LEU 45 2HD1 LEU 45 -7.534 24.364 4.947 350 HD13 LEU 45 3HD1 LEU 45 -6.532 25.052 3.670 351 HD21 LEU 45 1HD2 LEU 45 -8.973 26.788 6.116 352 HD22 LEU 45 2HD2 LEU 45 -8.830 27.394 4.466 353 HD23 LEU 45 3HD2 LEU 45 -8.041 28.249 5.792 354 H ASP 46 H ASP 46 -4.137 27.252 5.882 355 HA ASP 46 HA ASP 46 -3.818 27.104 3.161 356 HB2 ASP 46 2HB ASP 46 -3.027 28.858 5.127 357 HB3 ASP 46 3HB ASP 46 -1.488 28.277 4.499 358 H PHE 47 H PHE 47 -1.571 25.926 5.646 359 HA PHE 47 HA PHE 47 0.457 25.038 3.950 360 HB2 PHE 47 2HB PHE 47 -0.314 24.637 6.738 361 HB3 PHE 47 3HB PHE 47 0.477 23.226 6.043 362 HD1 PHE 47 HD1 PHE 47 2.643 23.831 4.608 363 HD2 PHE 47 HD2 PHE 47 1.016 26.203 7.746 364 HE1 PHE 47 HE1 PHE 47 4.836 24.897 4.935 365 HE2 PHE 47 HE2 PHE 47 3.206 27.273 8.077 366 HZ PHE 47 HZ PHE 47 5.120 26.622 6.670 367 H SER 48 H SER 48 -2.278 23.208 5.310 368 HA SER 48 HA SER 48 -1.764 20.745 4.174 369 HB2 SER 48 2HB SER 48 -3.683 21.584 5.786 370 HB3 SER 48 3HB SER 48 -4.595 21.708 4.281 371 HG SER 48 HG SER 48 -4.917 19.663 5.042 372 H ARG 49 H ARG 49 -3.558 23.473 2.786 373 HA ARG 49 HA ARG 49 -4.486 22.360 0.458 374 HB2 ARG 49 2HB ARG 49 -5.078 24.608 0.995 375 HB3 ARG 49 3HB ARG 49 -3.397 25.123 0.978 376 HG2 ARG 49 2HG ARG 49 -4.509 25.910 -1.003 377 HG3 ARG 49 3HG ARG 49 -3.313 24.689 -1.443 378 HD2 ARG 49 2HD ARG 49 -4.870 23.350 -2.312 379 HD3 ARG 49 3HD ARG 49 -5.906 23.519 -0.895 380 HE ARG 49 HE ARG 49 -6.116 25.874 -2.353 381 HH11 ARG 49 1HH1 ARG 49 -8.175 22.773 -3.828 382 HH12 ARG 49 2HH1 ARG 49 -6.844 22.493 -2.756 383 HH21 ARG 49 1HH2 ARG 49 -8.756 24.914 -4.402 384 HH22 ARG 49 2HH2 ARG 49 -7.867 26.256 -3.764 385 H GLU 50 H GLU 50 -1.242 23.624 1.103 386 HA GLU 50 HA GLU 50 -0.261 23.228 -1.531 387 HB2 GLU 50 2HB GLU 50 0.743 24.755 0.196 388 HB3 GLU 50 3HB GLU 50 1.351 23.327 1.021 389 HG2 GLU 50 2HG GLU 50 2.652 22.737 -0.963 390 HG3 GLU 50 3HG GLU 50 2.052 24.180 -1.779 391 H LYS 51 H LYS 51 -0.399 21.225 1.344 392 HA LYS 51 HA LYS 51 1.379 19.206 0.543 393 HB2 LYS 51 2HB LYS 51 0.857 18.959 2.754 394 HB3 LYS 51 3HB LYS 51 -0.815 19.453 2.526 395 HG2 LYS 51 2HG LYS 51 -0.129 16.897 1.274 396 HG3 LYS 51 3HG LYS 51 0.006 16.917 3.033 397 HD2 LYS 51 2HD LYS 51 -2.235 17.260 3.338 398 HD3 LYS 51 3HD LYS 51 -2.423 18.112 1.803 399 HE2 LYS 51 2HE LYS 51 -3.505 15.851 1.907 400 HE3 LYS 51 3HE LYS 51 -2.373 16.078 0.574 401 HZ1 LYS 51 1HZ LYS 51 -2.334 13.986 2.237 402 HZ2 LYS 51 2HZ LYS 51 -1.215 15.000 2.998 403 HZ3 LYS 51 3HZ LYS 51 -0.980 14.540 1.387 404 H LYS 52 H LYS 52 -2.148 19.463 0.168 405 HA LYS 52 HA LYS 52 -2.585 17.023 -1.105 406 HB2 LYS 52 2HB LYS 52 -4.442 18.320 -0.297 407 HB3 LYS 52 3HB LYS 52 -4.036 19.660 -1.362 408 HG2 LYS 52 2HG LYS 52 -5.913 18.524 -2.284 409 HG3 LYS 52 3HG LYS 52 -4.514 18.175 -3.303 410 HD2 LYS 52 2HD LYS 52 -5.480 16.086 -3.077 411 HD3 LYS 52 3HD LYS 52 -4.273 16.071 -1.789 412 HE2 LYS 52 2HE LYS 52 -5.843 16.214 -0.131 413 HE3 LYS 52 3HE LYS 52 -6.997 17.075 -1.148 414 HZ1 LYS 52 1HZ LYS 52 -7.918 14.975 -0.892 415 HZ2 LYS 52 2HZ LYS 52 -6.435 14.179 -1.051 416 HZ3 LYS 52 3HZ LYS 52 -7.169 14.877 -2.406 417 H LEU 53 H LEU 53 -1.961 20.220 -2.542 418 HA LEU 53 HA LEU 53 -2.092 19.525 -5.216 419 HB2 LEU 53 2HB LEU 53 -1.803 21.822 -4.187 420 HB3 LEU 53 3HB LEU 53 -0.082 21.455 -4.084 421 HG LEU 53 HG LEU 53 -0.356 21.014 -6.665 422 HD11 LEU 53 1HD1 LEU 53 -1.981 22.926 -7.431 423 HD12 LEU 53 2HD1 LEU 53 -2.790 22.555 -5.909 424 HD13 LEU 53 3HD1 LEU 53 -2.581 21.296 -7.127 425 HD21 LEU 53 1HD2 LEU 53 -0.114 23.651 -6.869 426 HD22 LEU 53 2HD2 LEU 53 1.164 22.639 -6.194 427 HD23 LEU 53 3HD2 LEU 53 0.068 23.511 -5.121 428 H LEU 54 H LEU 54 0.395 18.866 -2.879 429 HA LEU 54 HA LEU 54 2.332 18.067 -4.881 430 HB2 LEU 54 2HB LEU 54 3.062 19.148 -2.812 431 HB3 LEU 54 3HB LEU 54 2.384 17.817 -1.876 432 HG LEU 54 HG LEU 54 4.927 17.889 -2.273 433 HD11 LEU 54 1HD1 LEU 54 4.876 15.762 -1.621 434 HD12 LEU 54 2HD1 LEU 54 4.125 15.235 -3.126 435 HD13 LEU 54 3HD1 LEU 54 3.125 15.849 -1.810 436 HD21 LEU 54 1HD2 LEU 54 4.400 16.403 -4.780 437 HD22 LEU 54 2HD2 LEU 54 5.798 17.367 -4.303 438 HD23 LEU 54 3HD2 LEU 54 4.323 18.163 -4.854 439 H GLU 55 H GLU 55 -0.164 16.631 -2.992 440 HA GLU 55 HA GLU 55 0.793 13.941 -3.713 441 HB2 GLU 55 2HB GLU 55 0.346 14.590 -1.254 442 HB3 GLU 55 3HB GLU 55 -1.356 14.506 -1.687 443 HG2 GLU 55 2HG GLU 55 -0.138 12.148 -2.643 444 HG3 GLU 55 3HG GLU 55 0.423 12.399 -0.991 445 H CYS 56 H CYS 56 -0.762 15.951 -5.337 446 HA CYS 56 HA CYS 56 -2.754 14.070 -6.300 447 HB2 CYS 56 2HB CYS 56 -3.662 15.898 -4.549 448 HB3 CYS 56 3HB CYS 56 -3.763 16.848 -6.027 449 HG CYS 56 HG CYS 56 -6.104 15.965 -6.572 450 H LEU 57 H LEU 57 -2.968 14.131 -8.469 451 HA LEU 57 HA LEU 57 -2.483 14.630 -10.635 452 HB2 LEU 57 2HB LEU 57 -2.480 17.515 -9.802 453 HB3 LEU 57 3HB LEU 57 -2.928 16.827 -11.361 454 HG LEU 57 HG LEU 57 -4.504 16.543 -8.803 455 HD11 LEU 57 1HD1 LEU 57 -4.442 18.586 -10.873 456 HD12 LEU 57 2HD1 LEU 57 -5.195 18.608 -9.279 457 HD13 LEU 57 3HD1 LEU 57 -6.043 17.882 -10.645 458 HD21 LEU 57 1HD2 LEU 57 -6.239 15.841 -10.649 459 HD22 LEU 57 2HD2 LEU 57 -5.111 14.668 -9.968 460 HD23 LEU 57 3HD2 LEU 57 -4.781 15.401 -11.539 461 H ASP 58 H ASP 58 -0.994 16.437 -11.944 462 HA ASP 58 HA ASP 58 1.577 16.726 -10.617 463 HB2 ASP 58 2HB ASP 58 2.707 15.625 -12.632 464 HB3 ASP 58 3HB ASP 58 1.934 14.554 -11.467 465 H TYR 59 H TYR 59 3.144 17.931 -11.986 466 HA TYR 59 HA TYR 59 3.698 19.763 -13.212 467 HB2 TYR 59 2HB TYR 59 1.690 18.364 -14.874 468 HB3 TYR 59 3HB TYR 59 1.981 20.050 -15.285 469 HD1 TYR 59 HD1 TYR 59 3.794 16.853 -14.652 470 HD2 TYR 59 HD2 TYR 59 3.769 20.603 -16.663 471 HE1 TYR 59 HE1 TYR 59 5.814 16.195 -15.891 472 HE2 TYR 59 HE2 TYR 59 5.788 19.954 -17.910 473 HH TYR 59 HH TYR 59 7.034 16.724 -17.837 474 H LEU 60 H LEU 60 3.093 21.121 -11.445 475 HA LEU 60 HA LEU 60 0.474 22.414 -11.643 476 HB2 LEU 60 2HB LEU 60 0.806 23.205 -9.453 477 HB3 LEU 60 3HB LEU 60 1.364 21.533 -9.457 478 HG LEU 60 HG LEU 60 3.616 23.148 -9.996 479 HD11 LEU 60 1HD1 LEU 60 3.701 24.652 -8.136 480 HD12 LEU 60 2HD1 LEU 60 2.124 24.110 -7.562 481 HD13 LEU 60 3HD1 LEU 60 2.250 25.011 -9.073 482 HD21 LEU 60 1HD2 LEU 60 2.837 21.805 -7.413 483 HD22 LEU 60 2HD2 LEU 60 4.466 22.158 -7.991 484 HD23 LEU 60 3HD2 LEU 60 3.477 20.953 -8.819 Start of MODEL 6 1 H LEU 1 H LEU 1 9.196 -0.545 1.745 2 HA LEU 1 HA LEU 1 7.496 1.582 0.778 3 HB2 LEU 1 2HB LEU 1 9.509 2.268 2.898 4 HB3 LEU 1 3HB LEU 1 8.257 3.297 2.205 5 HG LEU 1 HG LEU 1 7.644 0.894 3.914 6 HD11 LEU 1 1HD1 LEU 1 7.313 2.462 5.762 7 HD12 LEU 1 2HD1 LEU 1 7.931 3.774 4.759 8 HD13 LEU 1 3HD1 LEU 1 8.992 2.443 5.219 9 HD21 LEU 1 1HD2 LEU 1 5.861 3.242 3.703 10 HD22 LEU 1 2HD2 LEU 1 5.473 1.524 3.800 11 HD23 LEU 1 3HD2 LEU 1 6.001 2.224 2.269 12 H LYS 2 H LYS 2 8.955 0.202 -0.862 13 HA LYS 2 HA LYS 2 11.218 1.962 -1.494 14 HB2 LYS 2 2HB LYS 2 11.238 -1.023 -1.253 15 HB3 LYS 2 3HB LYS 2 12.295 -0.244 -2.423 16 HG2 LYS 2 2HG LYS 2 13.430 0.961 -0.713 17 HG3 LYS 2 3HG LYS 2 12.250 0.462 0.501 18 HD2 LYS 2 2HD LYS 2 13.316 -1.465 0.868 19 HD3 LYS 2 3HD LYS 2 13.438 -1.809 -0.859 20 HE2 LYS 2 2HE LYS 2 15.645 -1.548 -0.504 21 HE3 LYS 2 3HE LYS 2 15.264 0.170 -0.613 22 HZ1 LYS 2 1HZ LYS 2 14.794 -0.647 2.014 23 HZ2 LYS 2 2HZ LYS 2 15.986 0.411 1.450 24 HZ3 LYS 2 3HZ LYS 2 16.313 -1.244 1.569 25 H GLU 3 H GLU 3 11.370 2.535 -3.597 26 HA GLU 3 HA GLU 3 10.715 2.872 -5.752 27 HB2 GLU 3 2HB GLU 3 10.214 -0.109 -5.685 28 HB3 GLU 3 3HB GLU 3 10.417 0.874 -7.128 29 HG2 GLU 3 2HG GLU 3 12.657 0.956 -6.928 30 HG3 GLU 3 3HG GLU 3 12.608 1.006 -5.167 31 H ASN 4 H ASN 4 8.878 4.104 -5.046 32 HA ASN 4 HA ASN 4 6.398 3.005 -6.040 33 HB2 ASN 4 2HB ASN 4 6.828 3.624 -3.135 34 HB3 ASN 4 3HB ASN 4 5.237 3.850 -3.856 35 HD21 ASN 4 1HD2 ASN 4 7.209 1.717 -2.291 36 HD22 ASN 4 2HD2 ASN 4 6.408 0.242 -2.699 37 H ASP 5 H ASP 5 4.674 4.664 -6.132 38 HA ASP 5 HA ASP 5 5.857 7.334 -6.495 39 HB2 ASP 5 2HB ASP 5 3.450 6.065 -7.816 40 HB3 ASP 5 3HB ASP 5 3.955 7.735 -8.060 41 H HIS 6 H HIS 6 2.696 5.871 -5.713 42 HA HIS 6 HA HIS 6 1.537 8.136 -4.587 43 HB2 HIS 6 2HB HIS 6 0.367 5.990 -5.193 44 HB3 HIS 6 3HB HIS 6 1.013 5.291 -3.711 45 HD1 HIS 6 HD1 HIS 6 -0.613 5.340 -1.864 46 HD2 HIS 6 HD2 HIS 6 -1.146 8.541 -4.459 47 HE1 HIS 6 HE1 HIS 6 -2.577 6.623 -0.956 48 H ALA 7 H ALA 7 3.843 5.898 -3.269 49 HA ALA 7 HA ALA 7 3.466 6.488 -0.526 50 HB1 ALA 7 1HB ALA 7 5.386 5.236 -0.124 51 HB2 ALA 7 2HB ALA 7 4.742 4.533 -1.609 52 HB3 ALA 7 3HB ALA 7 6.102 5.654 -1.681 53 H ARG 8 H ARG 8 6.025 7.570 -2.771 54 HA ARG 8 HA ARG 8 7.222 9.415 -1.068 55 HB2 ARG 8 2HB ARG 8 8.322 8.738 -3.098 56 HB3 ARG 8 3HB ARG 8 7.015 9.387 -4.080 57 HG2 ARG 8 2HG ARG 8 7.943 11.400 -4.123 58 HG3 ARG 8 3HG ARG 8 8.138 11.419 -2.369 59 HD2 ARG 8 2HD ARG 8 10.204 10.179 -2.547 60 HD3 ARG 8 3HD ARG 8 9.988 10.011 -4.289 61 HE ARG 8 HE ARG 8 10.015 12.744 -3.501 62 HH11 ARG 8 1HH1 ARG 8 13.457 10.957 -4.497 63 HH12 ARG 8 2HH1 ARG 8 12.072 9.998 -4.092 64 HH21 ARG 8 1HH2 ARG 8 13.319 13.244 -4.462 65 HH22 ARG 8 2HH2 ARG 8 11.831 14.018 -4.032 66 H PHE 9 H PHE 9 4.608 9.884 -3.422 67 HA PHE 9 HA PHE 9 4.310 12.639 -3.174 68 HB2 PHE 9 2HB PHE 9 2.661 10.402 -4.135 69 HB3 PHE 9 3HB PHE 9 1.738 11.795 -3.583 70 HD1 PHE 9 HD1 PHE 9 3.024 14.109 -4.411 71 HD2 PHE 9 HD2 PHE 9 2.941 10.347 -6.400 72 HE1 PHE 9 HE1 PHE 9 3.443 15.238 -6.557 73 HE2 PHE 9 HE2 PHE 9 3.361 11.469 -8.548 74 HZ PHE 9 HZ PHE 9 3.614 13.918 -8.629 75 H LEU 10 H LEU 10 2.993 10.023 -1.209 76 HA LEU 10 HA LEU 10 1.322 11.684 0.388 77 HB2 LEU 10 2HB LEU 10 1.623 8.987 0.032 78 HB3 LEU 10 3HB LEU 10 2.308 9.228 1.638 79 HG LEU 10 HG LEU 10 -0.100 10.622 1.690 80 HD11 LEU 10 1HD1 LEU 10 -1.176 9.744 -0.113 81 HD12 LEU 10 2HD1 LEU 10 -1.566 8.507 1.081 82 HD13 LEU 10 3HD1 LEU 10 -0.259 8.238 -0.071 83 HD21 LEU 10 1HD2 LEU 10 0.803 9.404 3.549 84 HD22 LEU 10 2HD2 LEU 10 0.644 7.875 2.684 85 HD23 LEU 10 3HD2 LEU 10 -0.798 8.761 3.182 86 H GLN 11 H GLN 11 4.538 10.259 0.893 87 HA GLN 11 HA GLN 11 5.016 11.133 3.473 88 HB2 GLN 11 2HB GLN 11 6.668 10.319 1.179 89 HB3 GLN 11 3HB GLN 11 7.489 11.357 2.337 90 HG2 GLN 11 2HG GLN 11 6.424 9.646 4.056 91 HG3 GLN 11 3HG GLN 11 6.479 8.591 2.645 92 HE21 GLN 11 1HE2 GLN 11 7.977 8.542 5.189 93 HE22 GLN 11 2HE2 GLN 11 9.644 8.535 4.740 94 H THR 12 H THR 12 5.021 12.926 0.496 95 HA THR 12 HA THR 12 6.420 15.207 1.522 96 HB THR 12 HB THR 12 4.698 14.884 -0.942 97 HG1 THR 12 HG1 THR 12 6.616 14.584 -1.974 98 HG21 THR 12 1HG2 THR 12 4.614 17.156 -0.753 99 HG22 THR 12 2HG2 THR 12 6.194 17.012 -1.523 100 HG23 THR 12 3HG2 THR 12 6.081 17.239 0.221 101 H ALA 13 H ALA 13 3.015 14.699 0.574 102 HA ALA 13 HA ALA 13 1.986 17.099 1.486 103 HB1 ALA 13 1HB ALA 13 -0.078 15.387 1.964 104 HB2 ALA 13 2HB ALA 13 0.325 16.069 0.388 105 HB3 ALA 13 3HB ALA 13 0.901 14.461 0.826 106 H LYS 14 H LYS 14 2.683 14.149 3.273 107 HA LYS 14 HA LYS 14 1.457 15.072 5.703 108 HB2 LYS 14 2HB LYS 14 2.166 12.612 4.762 109 HB3 LYS 14 3HB LYS 14 3.476 12.934 5.890 110 HG2 LYS 14 2HG LYS 14 1.446 13.603 7.462 111 HG3 LYS 14 3HG LYS 14 0.595 12.477 6.401 112 HD2 LYS 14 2HD LYS 14 2.723 10.980 6.881 113 HD3 LYS 14 3HD LYS 14 2.801 11.977 8.336 114 HE2 LYS 14 2HE LYS 14 0.497 11.360 8.879 115 HE3 LYS 14 3HE LYS 14 0.415 10.371 7.422 116 HZ1 LYS 14 1HZ LYS 14 1.624 8.738 8.356 117 HZ2 LYS 14 2HZ LYS 14 1.073 9.410 9.807 118 HZ3 LYS 14 3HZ LYS 14 2.615 9.795 9.229 119 H ASN 15 H ASN 15 4.682 15.049 4.324 120 HA ASN 15 HA ASN 15 6.049 15.797 6.704 121 HB2 ASN 15 2HB ASN 15 7.286 14.750 4.920 122 HB3 ASN 15 3HB ASN 15 6.822 16.017 3.789 123 HD21 ASN 15 1HD2 ASN 15 7.890 17.950 3.805 124 HD22 ASN 15 2HD2 ASN 15 9.319 18.234 4.733 125 H ILE 16 H ILE 16 4.118 17.506 4.462 126 HA ILE 16 HA ILE 16 5.296 20.094 4.940 127 HB ILE 16 HB ILE 16 2.679 19.359 3.623 128 HG12 ILE 16 2HG1 ILE 16 4.999 20.420 2.100 129 HG13 ILE 16 3HG1 ILE 16 5.117 18.760 2.673 130 HG21 ILE 16 1HG2 ILE 16 2.755 21.649 2.709 131 HG22 ILE 16 2HG2 ILE 16 2.599 21.622 4.465 132 HG23 ILE 16 3HG2 ILE 16 4.158 21.984 3.724 133 HD11 ILE 16 1HD1 ILE 16 3.752 19.766 0.404 134 HD12 ILE 16 2HD1 ILE 16 3.907 18.096 0.952 135 HD13 ILE 16 3HD1 ILE 16 2.560 19.087 1.513 136 H THR 17 H THR 17 2.269 18.464 5.854 137 HA THR 17 HA THR 17 1.442 20.614 7.566 138 HB THR 17 HB THR 17 0.222 17.954 7.976 139 HG1 THR 17 HG1 THR 17 -0.196 17.594 5.940 140 HG21 THR 17 1HG2 THR 17 -1.280 19.376 8.824 141 HG22 THR 17 2HG2 THR 17 -1.682 19.808 7.162 142 HG23 THR 17 3HG2 THR 17 -0.500 20.761 8.060 143 H GLU 18 H GLU 18 3.474 17.882 7.896 144 HA GLU 18 HA GLU 18 3.154 17.622 10.754 145 HB2 GLU 18 2HB GLU 18 3.708 15.661 9.397 146 HB3 GLU 18 3HB GLU 18 5.202 16.428 8.878 147 HG2 GLU 18 2HG GLU 18 6.283 15.808 10.717 148 HG3 GLU 18 3HG GLU 18 4.960 16.312 11.767 149 H ARG 19 H ARG 19 5.333 19.208 8.520 150 HA ARG 19 HA ARG 19 7.298 19.875 10.496 151 HB2 ARG 19 2HB ARG 19 7.536 19.702 7.900 152 HB3 ARG 19 3HB ARG 19 6.975 21.369 7.918 153 HG2 ARG 19 2HG ARG 19 8.986 21.263 9.843 154 HG3 ARG 19 3HG ARG 19 9.586 20.306 8.488 155 HD2 ARG 19 2HD ARG 19 9.134 22.163 6.969 156 HD3 ARG 19 3HD ARG 19 8.507 23.117 8.313 157 HE ARG 19 HE ARG 19 11.028 22.447 9.092 158 HH11 ARG 19 1HH1 ARG 19 11.067 24.985 5.997 159 HH12 ARG 19 2HH1 ARG 19 9.668 24.006 6.292 160 HH21 ARG 19 1HH2 ARG 19 12.891 24.827 7.374 161 HH22 ARG 19 2HH2 ARG 19 12.875 23.731 8.714 162 H VAL 20 H VAL 20 4.458 21.422 9.141 163 HA VAL 20 HA VAL 20 4.957 24.006 10.233 164 HB VAL 20 HB VAL 20 3.454 23.729 8.335 165 HG11 VAL 20 1HG1 VAL 20 1.270 22.701 8.563 166 HG12 VAL 20 2HG1 VAL 20 2.532 21.537 8.972 167 HG13 VAL 20 3HG1 VAL 20 1.601 22.317 10.252 168 HG21 VAL 20 1HG2 VAL 20 3.090 25.697 9.618 169 HG22 VAL 20 2HG2 VAL 20 1.500 25.038 9.233 170 HG23 VAL 20 3HG2 VAL 20 2.183 24.810 10.843 171 H SER 21 H SER 21 3.220 21.150 11.339 172 HA SER 21 HA SER 21 1.950 22.351 13.560 173 HB2 SER 21 2HB SER 21 2.701 19.480 12.986 174 HB3 SER 21 3HB SER 21 1.760 19.973 14.393 175 HG SER 21 HG SER 21 0.125 19.802 13.088 176 H MET 22 H MET 22 4.834 20.253 13.430 177 HA MET 22 HA MET 22 5.561 20.526 16.110 178 HB2 MET 22 2HB MET 22 6.528 19.131 13.958 179 HB3 MET 22 3HB MET 22 7.814 20.296 14.241 180 HG2 MET 22 2HG MET 22 8.548 19.169 15.996 181 HG3 MET 22 3HG MET 22 6.942 19.130 16.718 182 HE1 MET 22 1HE MET 22 5.300 16.027 15.492 183 HE2 MET 22 2HE MET 22 5.106 17.773 15.654 184 HE3 MET 22 3HE MET 22 5.469 17.068 14.078 185 H ALA 23 H ALA 23 6.061 22.633 13.385 186 HA ALA 23 HA ALA 23 8.121 24.227 14.519 187 HB1 ALA 23 1HB ALA 23 7.073 25.924 12.773 188 HB2 ALA 23 2HB ALA 23 8.051 24.546 12.265 189 HB3 ALA 23 3HB ALA 23 6.292 24.453 12.193 190 H THR 24 H THR 24 4.677 25.010 13.983 191 HA THR 24 HA THR 24 4.595 27.348 15.462 192 HB THR 24 HB THR 24 2.212 25.564 15.585 193 HG1 THR 24 HG1 THR 24 2.476 25.120 13.522 194 HG21 THR 24 1HG2 THR 24 2.819 28.460 15.259 195 HG22 THR 24 2HG2 THR 24 1.629 27.665 16.289 196 HG23 THR 24 3HG2 THR 24 1.323 27.841 14.561 197 H ALA 25 H ALA 25 4.161 24.009 16.542 198 HA ALA 25 HA ALA 25 3.332 24.511 19.160 199 HB1 ALA 25 1HB ALA 25 3.116 22.304 18.478 200 HB2 ALA 25 2HB ALA 25 4.770 22.225 17.868 201 HB3 ALA 25 3HB ALA 25 4.470 22.236 19.606 202 H SER 26 H SER 26 6.543 24.477 17.733 203 HA SER 26 HA SER 26 7.744 25.010 20.353 204 HB2 SER 26 2HB SER 26 8.612 23.597 18.019 205 HB3 SER 26 3HB SER 26 9.729 24.927 18.323 206 HG SER 26 HG SER 26 9.513 24.037 20.634 207 H SER 27 H SER 27 6.292 26.785 18.121 208 HA SER 27 HA SER 27 8.293 28.924 18.015 209 HB2 SER 27 2HB SER 27 6.335 27.996 16.187 210 HB3 SER 27 3HB SER 27 5.852 29.620 16.676 211 HG SER 27 HG SER 27 7.596 30.436 15.759 212 H GLN 28 H GLN 28 5.094 28.171 19.251 213 HA GLN 28 HA GLN 28 5.214 30.627 20.863 214 HB2 GLN 28 2HB GLN 28 3.041 29.671 19.081 215 HB3 GLN 28 3HB GLN 28 2.555 30.353 20.627 216 HG2 GLN 28 2HG GLN 28 3.637 32.427 20.123 217 HG3 GLN 28 3HG GLN 28 4.342 31.753 18.655 218 HE21 GLN 28 1HE2 GLN 28 2.818 31.047 16.983 219 HE22 GLN 28 2HE2 GLN 28 1.352 31.937 16.774 220 H VAL 29 H VAL 29 2.758 28.084 20.706 221 HA VAL 29 HA VAL 29 3.672 26.656 22.982 222 HB VAL 29 HB VAL 29 1.385 27.407 24.214 223 HG11 VAL 29 1HG1 VAL 29 2.757 28.133 25.869 224 HG12 VAL 29 2HG1 VAL 29 3.981 27.383 24.842 225 HG13 VAL 29 3HG1 VAL 29 3.726 29.127 24.782 226 HG21 VAL 29 1HG2 VAL 29 2.487 30.003 23.175 227 HG22 VAL 29 2HG2 VAL 29 1.122 29.187 22.413 228 HG23 VAL 29 3HG2 VAL 29 1.003 29.727 24.088 229 H LEU 30 H LEU 30 0.944 27.593 20.956 230 HA LEU 30 HA LEU 30 -0.683 26.377 19.935 231 HB2 LEU 30 2HB LEU 30 1.449 24.879 19.610 232 HB3 LEU 30 3HB LEU 30 0.616 23.817 20.742 233 HG LEU 30 HG LEU 30 -1.276 24.461 18.777 234 HD11 LEU 30 1HD1 LEU 30 0.243 23.359 16.864 235 HD12 LEU 30 2HD1 LEU 30 1.467 24.318 17.697 236 HD13 LEU 30 3HD1 LEU 30 0.027 25.100 17.047 237 HD21 LEU 30 1HD2 LEU 30 0.375 22.034 19.412 238 HD22 LEU 30 2HD2 LEU 30 -0.851 22.025 18.144 239 HD23 LEU 30 3HD2 LEU 30 -1.312 22.359 19.814 240 H ILE 31 H ILE 31 -1.943 27.167 21.817 241 HA ILE 31 HA ILE 31 -3.276 24.930 23.084 242 HB ILE 31 HB ILE 31 -3.180 26.114 25.343 243 HG12 ILE 31 2HG1 ILE 31 -0.520 27.172 24.773 244 HG13 ILE 31 3HG1 ILE 31 -1.784 28.017 23.887 245 HG21 ILE 31 1HG2 ILE 31 -1.429 24.773 26.028 246 HG22 ILE 31 2HG2 ILE 31 -1.900 24.013 24.509 247 HG23 ILE 31 3HG2 ILE 31 -0.490 25.071 24.565 248 HD11 ILE 31 1HD1 ILE 31 -1.638 27.632 26.866 249 HD12 ILE 31 2HD1 ILE 31 -1.351 29.128 25.976 250 HD13 ILE 31 3HD1 ILE 31 -2.964 28.415 26.005 251 HA PRO 32 HA PRO 32 -6.826 27.462 22.578 252 HB2 PRO 32 2HB PRO 32 -8.380 26.628 24.642 253 HB3 PRO 32 3HB PRO 32 -8.074 25.639 23.209 254 HG2 PRO 32 2HG PRO 32 -6.777 25.519 25.904 255 HG3 PRO 32 3HG PRO 32 -7.327 24.190 24.867 256 HD2 PRO 32 2HD PRO 32 -4.728 24.933 25.027 257 HD3 PRO 32 3HD PRO 32 -5.445 24.278 23.540 258 H GLU 33 H GLU 33 -5.558 29.417 23.139 259 HA GLU 33 HA GLU 33 -5.844 30.385 25.867 260 HB2 GLU 33 2HB GLU 33 -4.132 30.981 23.603 261 HB3 GLU 33 3HB GLU 33 -4.808 32.448 24.297 262 HG2 GLU 33 2HG GLU 33 -3.645 30.438 26.143 263 HG3 GLU 33 3HG GLU 33 -2.547 31.406 25.162 264 H ILE 34 H ILE 34 -6.336 32.086 22.785 265 HA ILE 34 HA ILE 34 -9.089 32.533 23.073 266 HB ILE 34 HB ILE 34 -8.532 33.860 25.018 267 HG12 ILE 34 2HG1 ILE 34 -9.211 35.608 22.642 268 HG13 ILE 34 3HG1 ILE 34 -10.356 34.655 23.580 269 HG21 ILE 34 1HG2 ILE 34 -7.050 35.752 24.949 270 HG22 ILE 34 2HG2 ILE 34 -6.187 34.331 24.362 271 HG23 ILE 34 3HG2 ILE 34 -6.787 35.534 23.219 272 HD11 ILE 34 1HD1 ILE 34 -9.846 36.011 25.553 273 HD12 ILE 34 2HD1 ILE 34 -8.735 36.981 24.585 274 HD13 ILE 34 3HD1 ILE 34 -10.459 36.982 24.215 275 H ASN 35 H ASN 35 -6.008 33.823 21.947 276 HA ASN 35 HA ASN 35 -7.308 34.484 19.389 277 HB2 ASN 35 2HB ASN 35 -6.555 36.469 20.859 278 HB3 ASN 35 3HB ASN 35 -4.917 35.988 20.428 279 HD21 ASN 35 1HD2 ASN 35 -8.054 36.733 18.967 280 HD22 ASN 35 2HD2 ASN 35 -7.410 37.513 17.566 281 H LEU 36 H LEU 36 -6.050 32.014 20.126 282 HA LEU 36 HA LEU 36 -3.684 32.069 18.370 283 HB2 LEU 36 2HB LEU 36 -2.898 31.412 20.465 284 HB3 LEU 36 3HB LEU 36 -4.326 30.434 20.796 285 HG LEU 36 HG LEU 36 -2.569 29.587 18.556 286 HD11 LEU 36 1HD1 LEU 36 -1.048 28.437 20.054 287 HD12 LEU 36 2HD1 LEU 36 -1.856 29.146 21.452 288 HD13 LEU 36 3HD1 LEU 36 -0.976 30.178 20.325 289 HD21 LEU 36 1HD2 LEU 36 -4.064 27.940 18.717 290 HD22 LEU 36 2HD2 LEU 36 -4.618 28.485 20.300 291 HD23 LEU 36 3HD2 LEU 36 -3.199 27.445 20.173 292 H ASN 37 H ASN 37 -6.843 30.895 18.813 293 HA ASN 37 HA ASN 37 -6.633 28.486 17.303 294 HB2 ASN 37 2HB ASN 37 -8.874 30.166 18.344 295 HB3 ASN 37 3HB ASN 37 -9.227 28.979 17.092 296 HD21 ASN 37 1HD2 ASN 37 -10.568 28.335 19.082 297 HD22 ASN 37 2HD2 ASN 37 -9.849 27.142 20.105 298 H ASP 38 H ASP 38 -8.237 31.572 16.495 299 HA ASP 38 HA ASP 38 -8.672 31.071 13.810 300 HB2 ASP 38 2HB ASP 38 -8.905 33.287 15.554 301 HB3 ASP 38 3HB ASP 38 -7.997 33.841 14.149 302 H THR 39 H THR 39 -5.745 32.017 15.440 303 HA THR 39 HA THR 39 -4.329 32.791 13.072 304 HB THR 39 HB THR 39 -2.460 32.049 15.054 305 HG1 THR 39 HG1 THR 39 -3.506 33.520 16.740 306 HG21 THR 39 1HG2 THR 39 -3.631 34.739 14.332 307 HG22 THR 39 2HG2 THR 39 -2.244 33.961 13.569 308 HG23 THR 39 3HG2 THR 39 -2.146 34.490 15.248 309 H PHE 40 H PHE 40 -4.042 29.989 15.264 310 HA PHE 40 HA PHE 40 -2.203 28.557 13.724 311 HB2 PHE 40 2HB PHE 40 -2.864 28.081 16.109 312 HB3 PHE 40 3HB PHE 40 -4.337 27.344 15.486 313 HD1 PHE 40 HD1 PHE 40 -0.844 27.147 14.225 314 HD2 PHE 40 HD2 PHE 40 -4.151 25.085 15.937 315 HE1 PHE 40 HE1 PHE 40 0.347 25.012 13.947 316 HE2 PHE 40 HE2 PHE 40 -2.965 22.947 15.662 317 HZ PHE 40 HZ PHE 40 -0.712 22.909 14.666 318 H ASP 41 H ASP 41 -5.735 28.569 13.670 319 HA ASP 41 HA ASP 41 -6.147 26.441 11.915 320 HB2 ASP 41 2HB ASP 41 -7.701 28.677 12.947 321 HB3 ASP 41 3HB ASP 41 -8.145 28.269 11.291 322 H THR 42 H THR 42 -6.179 29.912 11.085 323 HA THR 42 HA THR 42 -6.239 29.619 8.327 324 HB THR 42 HB THR 42 -6.306 31.765 9.924 325 HG1 THR 42 HG1 THR 42 -5.489 31.720 7.192 326 HG21 THR 42 1HG2 THR 42 -3.773 31.481 10.250 327 HG22 THR 42 2HG2 THR 42 -4.374 33.092 9.855 328 HG23 THR 42 3HG2 THR 42 -3.628 32.098 8.604 329 H PHE 43 H PHE 43 -3.611 29.196 10.537 330 HA PHE 43 HA PHE 43 -1.499 29.490 8.643 331 HB2 PHE 43 2HB PHE 43 -1.311 29.658 11.178 332 HB3 PHE 43 3HB PHE 43 -1.376 27.899 11.203 333 HD1 PHE 43 HD1 PHE 43 0.748 27.303 11.945 334 HD2 PHE 43 HD2 PHE 43 0.343 30.094 8.757 335 HE1 PHE 43 HE1 PHE 43 3.176 27.208 11.557 336 HE2 PHE 43 HE2 PHE 43 2.770 30.002 8.364 337 HZ PHE 43 HZ PHE 43 4.190 28.558 9.764 338 H ALA 44 H ALA 44 -2.709 26.575 10.309 339 HA ALA 44 HA ALA 44 -1.380 24.719 8.706 340 HB1 ALA 44 1HB ALA 44 -2.732 24.455 10.939 341 HB2 ALA 44 2HB ALA 44 -4.049 24.039 9.842 342 HB3 ALA 44 3HB ALA 44 -2.557 23.099 9.824 343 H LEU 45 H LEU 45 -4.682 26.005 8.418 344 HA LEU 45 HA LEU 45 -5.671 24.535 6.347 345 HB2 LEU 45 2HB LEU 45 -6.589 26.633 7.659 346 HB3 LEU 45 3HB LEU 45 -6.038 27.487 6.219 347 HG LEU 45 HG LEU 45 -8.336 27.068 5.900 348 HD11 LEU 45 1HD1 LEU 45 -8.369 25.841 3.901 349 HD12 LEU 45 2HD1 LEU 45 -7.043 24.800 4.419 350 HD13 LEU 45 3HD1 LEU 45 -6.732 26.488 4.015 351 HD21 LEU 45 1HD2 LEU 45 -8.677 24.295 5.942 352 HD22 LEU 45 2HD2 LEU 45 -9.326 25.471 7.084 353 HD23 LEU 45 3HD2 LEU 45 -7.782 24.683 7.411 354 H ASP 46 H ASP 46 -3.978 27.644 5.882 355 HA ASP 46 HA ASP 46 -3.764 27.636 3.154 356 HB2 ASP 46 2HB ASP 46 -2.763 29.202 5.164 357 HB3 ASP 46 3HB ASP 46 -1.293 28.502 4.493 358 H PHE 47 H PHE 47 -1.498 26.143 5.451 359 HA PHE 47 HA PHE 47 0.351 25.175 3.609 360 HB2 PHE 47 2HB PHE 47 -0.327 24.668 6.407 361 HB3 PHE 47 3HB PHE 47 0.322 23.250 5.592 362 HD1 PHE 47 HD1 PHE 47 2.456 23.807 4.074 363 HD2 PHE 47 HD2 PHE 47 1.167 26.045 7.458 364 HE1 PHE 47 HE1 PHE 47 4.737 24.688 4.357 365 HE2 PHE 47 HE2 PHE 47 3.445 26.929 7.746 366 HZ PHE 47 HZ PHE 47 5.233 26.251 6.194 367 H SER 48 H SER 48 -2.436 23.475 5.039 368 HA SER 48 HA SER 48 -2.195 21.064 3.716 369 HB2 SER 48 2HB SER 48 -3.833 21.532 5.524 370 HB3 SER 48 3HB SER 48 -4.790 22.476 4.382 371 HG SER 48 HG SER 48 -5.693 20.528 4.228 372 H ARG 49 H ARG 49 -3.855 24.007 2.633 373 HA ARG 49 HA ARG 49 -5.052 23.161 0.331 374 HB2 ARG 49 2HB ARG 49 -5.004 25.507 1.319 375 HB3 ARG 49 3HB ARG 49 -3.482 25.732 0.467 376 HG2 ARG 49 2HG ARG 49 -5.257 24.743 -1.447 377 HG3 ARG 49 3HG ARG 49 -6.175 25.927 -0.513 378 HD2 ARG 49 2HD ARG 49 -3.442 26.471 -1.651 379 HD3 ARG 49 3HD ARG 49 -4.938 26.834 -2.511 380 HE ARG 49 HE ARG 49 -5.112 28.016 0.001 381 HH11 ARG 49 1HH1 ARG 49 -2.851 29.973 -2.661 382 HH12 ARG 49 2HH1 ARG 49 -3.181 28.287 -2.884 383 HH21 ARG 49 1HH2 ARG 49 -3.705 31.080 -0.846 384 HH22 ARG 49 2HH2 ARG 49 -4.684 30.235 0.305 385 H GLU 50 H GLU 50 -1.635 23.973 0.774 386 HA GLU 50 HA GLU 50 -0.988 23.452 -1.983 387 HB2 GLU 50 2HB GLU 50 0.287 24.690 0.244 388 HB3 GLU 50 3HB GLU 50 1.341 23.410 -0.340 389 HG2 GLU 50 2HG GLU 50 0.152 25.507 -2.132 390 HG3 GLU 50 3HG GLU 50 1.717 25.680 -1.339 391 H LYS 51 H LYS 51 -0.941 21.698 1.034 392 HA LYS 51 HA LYS 51 0.762 19.589 0.322 393 HB2 LYS 51 2HB LYS 51 0.151 18.648 2.301 394 HB3 LYS 51 3HB LYS 51 -0.496 20.258 2.589 395 HG2 LYS 51 2HG LYS 51 -2.313 19.040 3.170 396 HG3 LYS 51 3HG LYS 51 -2.636 19.192 1.441 397 HD2 LYS 51 2HD LYS 51 -1.310 16.994 1.222 398 HD3 LYS 51 3HD LYS 51 -1.561 16.838 2.962 399 HE2 LYS 51 2HE LYS 51 -4.008 17.089 2.558 400 HE3 LYS 51 3HE LYS 51 -3.679 17.056 0.827 401 HZ1 LYS 51 1HZ LYS 51 -2.432 14.852 1.547 402 HZ2 LYS 51 2HZ LYS 51 -4.076 14.868 1.153 403 HZ3 LYS 51 3HZ LYS 51 -3.595 14.888 2.775 404 H LYS 52 H LYS 52 -2.561 20.246 -0.477 405 HA LYS 52 HA LYS 52 -3.087 17.581 -1.456 406 HB2 LYS 52 2HB LYS 52 -4.933 18.820 -0.524 407 HB3 LYS 52 3HB LYS 52 -4.653 20.159 -1.630 408 HG2 LYS 52 2HG LYS 52 -6.534 18.949 -2.424 409 HG3 LYS 52 3HG LYS 52 -5.189 18.611 -3.515 410 HD2 LYS 52 2HD LYS 52 -6.000 16.491 -3.200 411 HD3 LYS 52 3HD LYS 52 -4.822 16.571 -1.888 412 HE2 LYS 52 2HE LYS 52 -6.443 16.760 -0.267 413 HE3 LYS 52 3HE LYS 52 -7.621 17.459 -1.376 414 HZ1 LYS 52 1HZ LYS 52 -8.412 15.458 -1.887 415 HZ2 LYS 52 2HZ LYS 52 -7.565 14.875 -0.544 416 HZ3 LYS 52 3HZ LYS 52 -6.872 14.784 -2.084 417 H LEU 53 H LEU 53 -2.799 20.808 -2.946 418 HA LEU 53 HA LEU 53 -3.011 20.083 -5.598 419 HB2 LEU 53 2HB LEU 53 -2.261 22.370 -4.150 420 HB3 LEU 53 3HB LEU 53 -0.961 22.073 -5.303 421 HG LEU 53 HG LEU 53 -2.606 23.647 -6.184 422 HD11 LEU 53 1HD1 LEU 53 -2.733 22.745 -8.317 423 HD12 LEU 53 2HD1 LEU 53 -2.975 21.104 -7.719 424 HD13 LEU 53 3HD1 LEU 53 -1.388 21.863 -7.594 425 HD21 LEU 53 1HD2 LEU 53 -4.867 23.152 -6.492 426 HD22 LEU 53 2HD2 LEU 53 -4.514 22.547 -4.873 427 HD23 LEU 53 3HD2 LEU 53 -4.621 21.425 -6.230 428 H LEU 54 H LEU 54 -0.351 19.622 -3.410 429 HA LEU 54 HA LEU 54 1.619 19.091 -5.413 430 HB2 LEU 54 2HB LEU 54 2.254 19.844 -3.194 431 HB3 LEU 54 3HB LEU 54 1.536 18.402 -2.479 432 HG LEU 54 HG LEU 54 4.103 18.541 -2.743 433 HD11 LEU 54 1HD1 LEU 54 2.580 16.530 -2.211 434 HD12 LEU 54 2HD1 LEU 54 4.231 16.224 -2.750 435 HD13 LEU 54 3HD1 LEU 54 2.888 16.052 -3.881 436 HD21 LEU 54 1HD2 LEU 54 3.510 17.478 -5.483 437 HD22 LEU 54 2HD2 LEU 54 5.048 18.016 -4.806 438 HD23 LEU 54 3HD2 LEU 54 3.801 19.196 -5.213 439 H GLU 55 H GLU 55 -0.027 16.955 -3.072 440 HA GLU 55 HA GLU 55 0.873 14.534 -4.059 441 HB2 GLU 55 2HB GLU 55 -0.425 14.891 -1.944 442 HB3 GLU 55 3HB GLU 55 -1.880 15.035 -2.921 443 HG2 GLU 55 2HG GLU 55 -0.752 12.664 -3.773 444 HG3 GLU 55 3HG GLU 55 -0.463 12.671 -2.035 445 H CYS 56 H CYS 56 -2.406 15.796 -4.673 446 HA CYS 56 HA CYS 56 -3.044 14.068 -6.743 447 HB2 CYS 56 2HB CYS 56 -4.851 15.543 -7.266 448 HB3 CYS 56 3HB CYS 56 -4.615 15.616 -5.524 449 HG CYS 56 HG CYS 56 -2.838 17.954 -7.049 450 H LEU 57 H LEU 57 -3.194 14.410 -9.036 451 HA LEU 57 HA LEU 57 -2.291 14.871 -11.071 452 HB2 LEU 57 2HB LEU 57 -2.852 17.302 -9.858 453 HB3 LEU 57 3HB LEU 57 -1.205 17.489 -10.456 454 HG LEU 57 HG LEU 57 -2.305 16.529 -12.675 455 HD11 LEU 57 1HD1 LEU 57 -4.535 16.868 -12.955 456 HD12 LEU 57 2HD1 LEU 57 -4.602 18.173 -11.772 457 HD13 LEU 57 3HD1 LEU 57 -4.528 16.496 -11.231 458 HD21 LEU 57 1HD2 LEU 57 -2.143 18.653 -13.513 459 HD22 LEU 57 2HD2 LEU 57 -1.223 18.835 -12.020 460 HD23 LEU 57 3HD2 LEU 57 -2.896 19.389 -12.099 461 H ASP 58 H ASP 58 -0.142 16.032 -12.062 462 HA ASP 58 HA ASP 58 2.005 14.421 -11.105 463 HB2 ASP 58 2HB ASP 58 1.937 16.626 -13.173 464 HB3 ASP 58 3HB ASP 58 3.334 15.599 -12.864 465 H TYR 59 H TYR 59 1.610 17.960 -11.326 466 HA TYR 59 HA TYR 59 2.990 18.297 -8.804 467 HB2 TYR 59 2HB TYR 59 4.422 18.504 -11.257 468 HB3 TYR 59 3HB TYR 59 4.267 20.123 -10.585 469 HD1 TYR 59 HD1 TYR 59 5.530 20.788 -8.692 470 HD2 TYR 59 HD2 TYR 59 5.497 16.705 -9.887 471 HE1 TYR 59 HE1 TYR 59 7.377 20.324 -7.136 472 HE2 TYR 59 HE2 TYR 59 7.343 16.229 -8.333 473 HH TYR 59 HH TYR 59 8.398 17.105 -6.403 474 H LEU 60 H LEU 60 2.200 20.262 -11.678 475 HA LEU 60 HA LEU 60 0.142 21.679 -10.241 476 HB2 LEU 60 2HB LEU 60 2.490 22.690 -9.707 477 HB3 LEU 60 3HB LEU 60 2.340 23.390 -11.317 478 HG LEU 60 HG LEU 60 0.092 23.807 -9.421 479 HD11 LEU 60 1HD1 LEU 60 1.174 25.629 -8.307 480 HD12 LEU 60 2HD1 LEU 60 2.644 25.401 -9.254 481 HD13 LEU 60 3HD1 LEU 60 2.154 24.180 -8.080 482 HD21 LEU 60 1HD2 LEU 60 -0.481 25.149 -11.092 483 HD22 LEU 60 2HD2 LEU 60 1.058 24.868 -11.906 484 HD23 LEU 60 3HD2 LEU 60 0.914 26.158 -10.712 Start of MODEL 7 1 H LEU 1 H LEU 1 6.185 0.793 -9.591 2 HA LEU 1 HA LEU 1 7.625 1.402 -7.391 3 HB2 LEU 1 2HB LEU 1 7.116 3.724 -7.748 4 HB3 LEU 1 3HB LEU 1 7.270 2.907 -9.302 5 HG LEU 1 HG LEU 1 4.544 3.239 -8.156 6 HD11 LEU 1 1HD1 LEU 1 6.215 5.456 -9.308 7 HD12 LEU 1 2HD1 LEU 1 5.322 5.435 -7.788 8 HD13 LEU 1 3HD1 LEU 1 4.452 5.481 -9.321 9 HD21 LEU 1 1HD2 LEU 1 4.409 2.137 -10.153 10 HD22 LEU 1 2HD2 LEU 1 5.833 2.937 -10.819 11 HD23 LEU 1 3HD2 LEU 1 4.299 3.803 -10.723 12 H LYS 2 H LYS 2 5.460 -0.249 -6.517 13 HA LYS 2 HA LYS 2 3.448 1.045 -5.113 14 HB2 LYS 2 2HB LYS 2 3.643 -1.420 -5.451 15 HB3 LYS 2 3HB LYS 2 4.911 -1.449 -4.232 16 HG2 LYS 2 2HG LYS 2 2.876 -0.158 -2.932 17 HG3 LYS 2 3HG LYS 2 2.015 -1.337 -3.925 18 HD2 LYS 2 2HD LYS 2 3.943 -2.924 -2.987 19 HD3 LYS 2 3HD LYS 2 3.894 -1.754 -1.666 20 HE2 LYS 2 2HE LYS 2 1.830 -2.405 -0.990 21 HE3 LYS 2 3HE LYS 2 1.288 -2.762 -2.629 22 HZ1 LYS 2 1HZ LYS 2 3.351 -4.521 -1.631 23 HZ2 LYS 2 2HZ LYS 2 1.923 -4.888 -2.458 24 HZ3 LYS 2 3HZ LYS 2 1.887 -4.618 -0.789 25 H GLU 3 H GLU 3 6.806 0.481 -4.226 26 HA GLU 3 HA GLU 3 6.378 2.139 -1.827 27 HB2 GLU 3 2HB GLU 3 8.339 0.937 -0.843 28 HB3 GLU 3 3HB GLU 3 6.927 -0.077 -1.103 29 HG2 GLU 3 2HG GLU 3 8.655 -0.115 -3.406 30 HG3 GLU 3 3HG GLU 3 9.535 -0.559 -1.945 31 H ASN 4 H ASN 4 8.716 2.943 -1.072 32 HA ASN 4 HA ASN 4 10.499 4.305 -1.468 33 HB2 ASN 4 2HB ASN 4 10.519 2.469 -3.673 34 HB3 ASN 4 3HB ASN 4 10.976 4.069 -4.250 35 HD21 ASN 4 1HD2 ASN 4 11.599 1.962 -1.461 36 HD22 ASN 4 2HD2 ASN 4 13.301 2.256 -1.406 37 H ASP 5 H ASP 5 8.980 4.448 -4.676 38 HA ASP 5 HA ASP 5 9.126 7.193 -4.982 39 HB2 ASP 5 2HB ASP 5 7.512 5.028 -6.213 40 HB3 ASP 5 3HB ASP 5 6.933 6.675 -6.451 41 H HIS 6 H HIS 6 6.478 5.257 -3.633 42 HA HIS 6 HA HIS 6 4.865 7.578 -3.078 43 HB2 HIS 6 2HB HIS 6 4.081 5.148 -3.575 44 HB3 HIS 6 3HB HIS 6 4.399 4.870 -1.865 45 HD1 HIS 6 HD1 HIS 6 2.922 8.080 -3.156 46 HD2 HIS 6 HD2 HIS 6 1.740 4.649 -1.133 47 HE1 HIS 6 HE1 HIS 6 0.586 8.546 -2.349 48 H ALA 7 H ALA 7 7.215 5.653 -1.397 49 HA ALA 7 HA ALA 7 6.537 6.398 1.250 50 HB1 ALA 7 1HB ALA 7 7.904 4.473 0.912 51 HB2 ALA 7 2HB ALA 7 9.121 5.418 0.053 52 HB3 ALA 7 3HB ALA 7 8.869 5.667 1.781 53 H ARG 8 H ARG 8 8.524 7.871 -1.237 54 HA ARG 8 HA ARG 8 9.626 9.855 0.542 55 HB2 ARG 8 2HB ARG 8 10.619 10.808 -1.499 56 HB3 ARG 8 3HB ARG 8 10.944 9.086 -1.354 57 HG2 ARG 8 2HG ARG 8 9.276 8.573 -2.999 58 HG3 ARG 8 3HG ARG 8 8.758 10.259 -3.057 59 HD2 ARG 8 2HD ARG 8 11.618 9.842 -3.552 60 HD3 ARG 8 3HD ARG 8 10.555 9.112 -4.755 61 HE ARG 8 HE ARG 8 9.677 11.720 -4.317 62 HH11 ARG 8 1HH1 ARG 8 12.876 11.346 -6.695 63 HH12 ARG 8 2HH1 ARG 8 12.462 10.070 -5.598 64 HH21 ARG 8 1HH2 ARG 8 11.596 13.244 -6.783 65 HH22 ARG 8 2HH2 ARG 8 10.212 13.407 -5.756 66 H PHE 9 H PHE 9 6.978 9.611 -1.734 67 HA PHE 9 HA PHE 9 6.405 12.400 -1.847 68 HB2 PHE 9 2HB PHE 9 5.142 9.903 -2.799 69 HB3 PHE 9 3HB PHE 9 4.041 11.245 -2.507 70 HD1 PHE 9 HD1 PHE 9 5.281 13.588 -3.386 71 HD2 PHE 9 HD2 PHE 9 5.666 9.673 -5.010 72 HE1 PHE 9 HE1 PHE 9 5.883 14.555 -5.567 73 HE2 PHE 9 HE2 PHE 9 6.269 10.634 -7.193 74 HZ PHE 9 HZ PHE 9 6.379 13.078 -7.474 75 H LEU 10 H LEU 10 5.213 9.709 0.103 76 HA LEU 10 HA LEU 10 3.214 11.259 1.439 77 HB2 LEU 10 2HB LEU 10 3.772 8.576 1.176 78 HB3 LEU 10 3HB LEU 10 4.174 8.903 2.860 79 HG LEU 10 HG LEU 10 1.710 10.098 2.567 80 HD11 LEU 10 1HD1 LEU 10 0.294 8.354 1.552 81 HD12 LEU 10 2HD1 LEU 10 1.748 7.523 1.002 82 HD13 LEU 10 3HD1 LEU 10 1.364 9.129 0.384 83 HD21 LEU 10 1HD2 LEU 10 2.541 7.395 3.592 84 HD22 LEU 10 2HD2 LEU 10 0.909 8.035 3.793 85 HD23 LEU 10 3HD2 LEU 10 2.283 8.880 4.508 86 H GLN 11 H GLN 11 6.473 10.137 2.264 87 HA GLN 11 HA GLN 11 6.569 11.051 4.895 88 HB2 GLN 11 2HB GLN 11 8.266 9.575 3.907 89 HB3 GLN 11 3HB GLN 11 8.824 10.895 2.888 90 HG2 GLN 11 2HG GLN 11 10.151 11.653 4.485 91 HG3 GLN 11 3HG GLN 11 8.821 11.703 5.640 92 HE21 GLN 11 1HE2 GLN 11 8.589 10.083 7.113 93 HE22 GLN 11 2HE2 GLN 11 9.740 8.812 7.325 94 H THR 12 H THR 12 6.861 12.768 1.882 95 HA THR 12 HA THR 12 7.989 15.150 3.007 96 HB THR 12 HB THR 12 6.630 14.661 0.352 97 HG1 THR 12 HG1 THR 12 9.343 14.821 1.192 98 HG21 THR 12 1HG2 THR 12 7.679 17.131 1.613 99 HG22 THR 12 2HG2 THR 12 6.387 16.924 0.431 100 HG23 THR 12 3HG2 THR 12 8.072 16.868 -0.085 101 H ALA 13 H ALA 13 4.759 14.367 1.708 102 HA ALA 13 HA ALA 13 3.460 16.720 2.306 103 HB1 ALA 13 1HB ALA 13 1.498 14.891 2.774 104 HB2 ALA 13 2HB ALA 13 2.000 15.447 1.177 105 HB3 ALA 13 3HB ALA 13 2.651 13.945 1.832 106 H LYS 14 H LYS 14 3.942 13.904 4.411 107 HA LYS 14 HA LYS 14 2.521 15.001 6.619 108 HB2 LYS 14 2HB LYS 14 3.610 12.524 5.970 109 HB3 LYS 14 3HB LYS 14 4.566 13.063 7.345 110 HG2 LYS 14 2HG LYS 14 2.764 13.055 8.776 111 HG3 LYS 14 3HG LYS 14 1.590 13.229 7.468 112 HD2 LYS 14 2HD LYS 14 1.451 11.010 7.142 113 HD3 LYS 14 3HD LYS 14 3.191 10.778 7.327 114 HE2 LYS 14 2HE LYS 14 1.654 11.467 9.764 115 HE3 LYS 14 3HE LYS 14 1.404 9.857 9.089 116 HZ1 LYS 14 1HZ LYS 14 4.123 10.904 9.565 117 HZ2 LYS 14 2HZ LYS 14 3.621 9.297 9.406 118 HZ3 LYS 14 3HZ LYS 14 3.245 10.165 10.808 119 H ASN 15 H ASN 15 5.972 14.740 5.823 120 HA ASN 15 HA ASN 15 7.024 15.844 8.147 121 HB2 ASN 15 2HB ASN 15 8.580 14.873 6.681 122 HB3 ASN 15 3HB ASN 15 7.987 15.789 5.299 123 HD21 ASN 15 1HD2 ASN 15 10.137 15.717 7.954 124 HD22 ASN 15 2HD2 ASN 15 10.898 17.242 7.671 125 H ILE 16 H ILE 16 5.354 17.354 5.524 126 HA ILE 16 HA ILE 16 6.287 20.013 5.997 127 HB ILE 16 HB ILE 16 3.844 19.015 4.530 128 HG12 ILE 16 2HG1 ILE 16 6.155 20.293 3.166 129 HG13 ILE 16 3HG1 ILE 16 6.400 18.667 3.793 130 HG21 ILE 16 1HG2 ILE 16 3.170 21.151 4.881 131 HG22 ILE 16 2HG2 ILE 16 4.811 21.743 5.138 132 HG23 ILE 16 3HG2 ILE 16 4.227 21.446 3.500 133 HD11 ILE 16 1HD1 ILE 16 5.091 19.497 1.406 134 HD12 ILE 16 2HD1 ILE 16 5.442 17.864 1.974 135 HD13 ILE 16 3HD1 ILE 16 3.935 18.654 2.437 136 H THR 17 H THR 17 3.199 18.371 6.694 137 HA THR 17 HA THR 17 2.191 20.537 8.256 138 HB THR 17 HB THR 17 1.031 17.877 8.758 139 HG1 THR 17 HG1 THR 17 0.432 17.470 6.707 140 HG21 THR 17 1HG2 THR 17 0.042 20.605 7.972 141 HG22 THR 17 2HG2 THR 17 -0.239 19.720 9.471 142 HG23 THR 17 3HG2 THR 17 -1.023 19.200 7.980 143 H GLU 18 H GLU 18 4.207 17.817 8.904 144 HA GLU 18 HA GLU 18 3.705 17.711 11.727 145 HB2 GLU 18 2HB GLU 18 5.750 16.468 9.910 146 HB3 GLU 18 3HB GLU 18 5.897 16.338 11.657 147 HG2 GLU 18 2HG GLU 18 3.330 15.575 10.356 148 HG3 GLU 18 3HG GLU 18 4.705 14.475 10.271 149 H ARG 19 H ARG 19 6.093 19.219 9.626 150 HA ARG 19 HA ARG 19 7.795 20.111 11.730 151 HB2 ARG 19 2HB ARG 19 8.332 19.824 9.217 152 HB3 ARG 19 3HB ARG 19 7.613 21.417 9.029 153 HG2 ARG 19 2HG ARG 19 9.411 21.673 11.145 154 HG3 ARG 19 3HG ARG 19 10.240 20.687 9.939 155 HD2 ARG 19 2HD ARG 19 9.744 22.372 8.231 156 HD3 ARG 19 3HD ARG 19 8.924 23.356 9.443 157 HE ARG 19 HE ARG 19 11.741 23.159 9.009 158 HH11 ARG 19 1HH1 ARG 19 10.335 24.657 12.445 159 HH12 ARG 19 2HH1 ARG 19 9.294 23.728 11.418 160 HH21 ARG 19 1HH2 ARG 19 12.513 25.028 11.837 161 HH22 ARG 19 2HH2 ARG 19 13.122 24.380 10.352 162 H VAL 20 H VAL 20 5.262 21.670 9.791 163 HA VAL 20 HA VAL 20 5.471 24.243 10.851 164 HB VAL 20 HB VAL 20 4.120 23.750 8.875 165 HG11 VAL 20 1HG1 VAL 20 3.208 21.596 9.630 166 HG12 VAL 20 2HG1 VAL 20 2.180 22.448 10.783 167 HG13 VAL 20 3HG1 VAL 20 1.947 22.683 9.050 168 HG21 VAL 20 1HG2 VAL 20 2.683 25.016 11.195 169 HG22 VAL 20 2HG2 VAL 20 3.612 25.812 9.925 170 HG23 VAL 20 3HG2 VAL 20 2.063 25.058 9.545 171 H SER 21 H SER 21 3.798 21.394 12.054 172 HA SER 21 HA SER 21 2.301 22.684 14.074 173 HB2 SER 21 2HB SER 21 2.859 19.954 13.245 174 HB3 SER 21 3HB SER 21 2.800 20.101 15.001 175 HG SER 21 HG SER 21 0.763 19.904 13.428 176 H MET 22 H MET 22 5.262 20.709 14.361 177 HA MET 22 HA MET 22 5.770 21.279 17.044 178 HB2 MET 22 2HB MET 22 6.876 19.585 15.345 179 HB3 MET 22 3HB MET 22 8.050 20.881 15.155 180 HG2 MET 22 2HG MET 22 8.788 20.713 17.336 181 HG3 MET 22 3HG MET 22 7.311 19.922 17.882 182 HE1 MET 22 1HE MET 22 9.590 18.677 14.647 183 HE2 MET 22 2HE MET 22 10.412 19.759 15.772 184 HE3 MET 22 3HE MET 22 10.862 18.055 15.699 185 H ALA 23 H ALA 23 6.381 23.136 14.171 186 HA ALA 23 HA ALA 23 8.317 24.904 15.265 187 HB1 ALA 23 1HB ALA 23 7.094 26.343 13.280 188 HB2 ALA 23 2HB ALA 23 8.441 25.226 13.056 189 HB3 ALA 23 3HB ALA 23 6.786 24.677 12.790 190 H THR 24 H THR 24 4.878 25.473 14.488 191 HA THR 24 HA THR 24 4.623 27.945 15.708 192 HB THR 24 HB THR 24 2.331 26.036 15.882 193 HG1 THR 24 HG1 THR 24 2.026 26.489 13.564 194 HG21 THR 24 1HG2 THR 24 1.480 28.273 14.594 195 HG22 THR 24 2HG2 THR 24 2.786 28.927 15.583 196 HG23 THR 24 3HG2 THR 24 1.451 28.061 16.344 197 H ALA 25 H ALA 25 4.770 24.787 17.136 198 HA ALA 25 HA ALA 25 3.747 25.651 19.700 199 HB1 ALA 25 1HB ALA 25 3.803 23.239 18.488 200 HB2 ALA 25 2HB ALA 25 5.208 23.101 19.546 201 HB3 ALA 25 3HB ALA 25 3.623 23.466 20.228 202 H SER 26 H SER 26 6.884 24.448 18.497 203 HA SER 26 HA SER 26 8.304 24.993 20.872 204 HB2 SER 26 2HB SER 26 9.219 23.433 19.282 205 HB3 SER 26 3HB SER 26 9.248 24.661 18.016 206 HG SER 26 HG SER 26 11.028 24.188 20.050 207 H SER 27 H SER 27 7.074 27.057 18.496 208 HA SER 27 HA SER 27 9.028 29.165 19.056 209 HB2 SER 27 2HB SER 27 8.267 28.618 16.684 210 HB3 SER 27 3HB SER 27 6.712 29.323 17.124 211 HG SER 27 HG SER 27 7.970 30.920 16.205 212 H GLN 28 H GLN 28 5.641 28.347 19.472 213 HA GLN 28 HA GLN 28 5.342 30.728 21.182 214 HB2 GLN 28 2HB GLN 28 3.676 29.745 18.984 215 HB3 GLN 28 3HB GLN 28 2.771 30.060 20.459 216 HG2 GLN 28 2HG GLN 28 3.130 32.300 20.373 217 HG3 GLN 28 3HG GLN 28 4.685 32.133 19.560 218 HE21 GLN 28 1HE2 GLN 28 4.768 32.491 17.448 219 HE22 GLN 28 2HE2 GLN 28 3.403 32.648 16.401 220 H VAL 29 H VAL 29 3.226 27.940 20.616 221 HA VAL 29 HA VAL 29 3.862 26.481 22.911 222 HB VAL 29 HB VAL 29 3.094 28.357 24.217 223 HG11 VAL 29 1HG1 VAL 29 1.717 29.471 22.567 224 HG12 VAL 29 2HG1 VAL 29 0.538 28.159 22.627 225 HG13 VAL 29 3HG1 VAL 29 0.783 29.192 24.036 226 HG21 VAL 29 1HG2 VAL 29 0.696 26.725 24.568 227 HG22 VAL 29 2HG2 VAL 29 2.187 25.788 24.488 228 HG23 VAL 29 3HG2 VAL 29 2.011 27.064 25.692 229 H LEU 30 H LEU 30 1.398 27.514 20.642 230 HA LEU 30 HA LEU 30 -0.122 26.352 19.412 231 HB2 LEU 30 2HB LEU 30 1.954 24.766 19.354 232 HB3 LEU 30 3HB LEU 30 0.970 23.759 20.414 233 HG LEU 30 HG LEU 30 -0.709 24.363 18.283 234 HD11 LEU 30 1HD1 LEU 30 2.121 24.225 17.418 235 HD12 LEU 30 2HD1 LEU 30 0.755 25.080 16.703 236 HD13 LEU 30 3HD1 LEU 30 0.931 23.342 16.462 237 HD21 LEU 30 1HD2 LEU 30 -0.549 22.015 17.801 238 HD22 LEU 30 2HD2 LEU 30 -0.479 22.240 19.549 239 HD23 LEU 30 3HD2 LEU 30 0.997 21.903 18.643 240 H ILE 31 H ILE 31 -1.515 27.249 21.197 241 HA ILE 31 HA ILE 31 -3.136 25.085 22.257 242 HB ILE 31 HB ILE 31 -3.239 26.051 24.521 243 HG12 ILE 31 2HG1 ILE 31 -1.075 27.547 24.974 244 HG13 ILE 31 3HG1 ILE 31 -1.342 27.991 23.292 245 HG21 ILE 31 1HG2 ILE 31 -0.434 25.324 23.688 246 HG22 ILE 31 2HG2 ILE 31 -1.116 25.192 25.308 247 HG23 ILE 31 3HG2 ILE 31 -1.732 24.174 24.008 248 HD11 ILE 31 1HD1 ILE 31 -3.728 28.076 24.996 249 HD12 ILE 31 2HD1 ILE 31 -2.466 29.243 25.393 250 HD13 ILE 31 3HD1 ILE 31 -3.158 29.210 23.772 251 HA PRO 32 HA PRO 32 -6.437 27.804 21.259 252 HB2 PRO 32 2HB PRO 32 -8.325 26.990 23.032 253 HB3 PRO 32 3HB PRO 32 -7.846 26.027 21.629 254 HG2 PRO 32 2HG PRO 32 -6.985 25.771 24.485 255 HG3 PRO 32 3HG PRO 32 -7.428 24.499 23.331 256 HD2 PRO 32 2HD PRO 32 -4.854 25.109 23.911 257 HD3 PRO 32 3HD PRO 32 -5.361 24.531 22.311 258 H GLU 33 H GLU 33 -6.986 29.845 21.750 259 HA GLU 33 HA GLU 33 -7.024 30.700 24.546 260 HB2 GLU 33 2HB GLU 33 -5.099 31.572 22.487 261 HB3 GLU 33 3HB GLU 33 -5.848 32.869 23.408 262 HG2 GLU 33 2HG GLU 33 -4.861 30.626 25.018 263 HG3 GLU 33 3HG GLU 33 -3.619 31.532 24.156 264 H ILE 34 H ILE 34 -7.087 32.461 21.460 265 HA ILE 34 HA ILE 34 -9.868 32.766 21.287 266 HB ILE 34 HB ILE 34 -9.730 34.053 23.327 267 HG12 ILE 34 2HG1 ILE 34 -9.999 36.375 21.604 268 HG13 ILE 34 3HG1 ILE 34 -10.803 34.967 20.918 269 HG21 ILE 34 1HG2 ILE 34 -8.348 35.997 23.584 270 HG22 ILE 34 2HG2 ILE 34 -7.328 34.643 23.101 271 HG23 ILE 34 3HG2 ILE 34 -7.783 35.870 21.919 272 HD11 ILE 34 1HD1 ILE 34 -11.422 35.151 23.698 273 HD12 ILE 34 2HD1 ILE 34 -11.745 36.696 22.911 274 HD13 ILE 34 3HD1 ILE 34 -12.500 35.222 22.305 275 H ASN 35 H ASN 35 -6.721 34.269 20.748 276 HA ASN 35 HA ASN 35 -7.633 35.043 18.054 277 HB2 ASN 35 2HB ASN 35 -7.036 36.923 19.684 278 HB3 ASN 35 3HB ASN 35 -5.369 36.373 19.537 279 HD21 ASN 35 1HD2 ASN 35 -8.135 37.539 17.697 280 HD22 ASN 35 2HD2 ASN 35 -7.215 38.259 16.424 281 H LEU 36 H LEU 36 -6.425 32.511 19.022 282 HA LEU 36 HA LEU 36 -3.967 32.543 17.397 283 HB2 LEU 36 2HB LEU 36 -3.294 31.969 19.555 284 HB3 LEU 36 3HB LEU 36 -4.726 30.982 19.838 285 HG LEU 36 HG LEU 36 -2.832 30.085 17.733 286 HD11 LEU 36 1HD1 LEU 36 -1.516 28.898 19.517 287 HD12 LEU 36 2HD1 LEU 36 -2.260 29.989 20.685 288 HD13 LEU 36 3HD1 LEU 36 -1.240 30.636 19.401 289 HD21 LEU 36 1HD2 LEU 36 -4.454 28.525 17.883 290 HD22 LEU 36 2HD2 LEU 36 -4.875 28.962 19.539 291 HD23 LEU 36 3HD2 LEU 36 -3.472 27.939 19.226 292 H ASN 37 H ASN 37 -7.130 31.340 17.694 293 HA ASN 37 HA ASN 37 -6.826 28.873 16.319 294 HB2 ASN 37 2HB ASN 37 -9.084 30.587 17.186 295 HB3 ASN 37 3HB ASN 37 -9.406 29.501 15.837 296 HD21 ASN 37 1HD2 ASN 37 -8.599 27.213 16.213 297 HD22 ASN 37 2HD2 ASN 37 -8.920 26.540 17.772 298 H ASP 38 H ASP 38 -8.309 31.924 15.207 299 HA ASP 38 HA ASP 38 -8.505 31.264 12.521 300 HB2 ASP 38 2HB ASP 38 -7.994 34.010 13.687 301 HB3 ASP 38 3HB ASP 38 -8.656 33.670 12.090 302 H THR 39 H THR 39 -5.742 32.274 14.369 303 HA THR 39 HA THR 39 -4.119 32.916 12.079 304 HB THR 39 HB THR 39 -2.449 32.398 14.301 305 HG1 THR 39 HG1 THR 39 -3.678 34.020 15.710 306 HG21 THR 39 1HG2 THR 39 -2.542 34.256 12.450 307 HG22 THR 39 2HG2 THR 39 -1.817 34.598 14.021 308 HG23 THR 39 3HG2 THR 39 -3.459 35.136 13.671 309 H PHE 40 H PHE 40 -4.034 30.325 14.531 310 HA PHE 40 HA PHE 40 -2.022 28.802 13.334 311 HB2 PHE 40 2HB PHE 40 -2.925 28.516 15.664 312 HB3 PHE 40 3HB PHE 40 -4.326 27.715 14.960 313 HD1 PHE 40 HD1 PHE 40 -0.722 27.441 14.081 314 HD2 PHE 40 HD2 PHE 40 -4.184 25.506 15.625 315 HE1 PHE 40 HE1 PHE 40 0.492 25.302 14.111 316 HE2 PHE 40 HE2 PHE 40 -2.975 23.363 15.660 317 HZ PHE 40 HZ PHE 40 -0.634 23.259 14.903 318 H ASP 41 H ASP 41 -5.526 28.739 12.895 319 HA ASP 41 HA ASP 41 -5.724 26.458 11.303 320 HB2 ASP 41 2HB ASP 41 -7.535 28.141 12.307 321 HB3 ASP 41 3HB ASP 41 -7.474 28.784 10.669 322 H THR 42 H THR 42 -5.642 29.846 10.182 323 HA THR 42 HA THR 42 -5.397 29.295 7.464 324 HB THR 42 HB THR 42 -5.695 31.576 8.825 325 HG1 THR 42 HG1 THR 42 -5.815 32.393 6.850 326 HG21 THR 42 1HG2 THR 42 -2.896 31.914 7.805 327 HG22 THR 42 2HG2 THR 42 -3.189 31.359 9.454 328 HG23 THR 42 3HG2 THR 42 -3.803 32.927 8.928 329 H PHE 43 H PHE 43 -3.065 29.081 9.992 330 HA PHE 43 HA PHE 43 -0.743 29.265 8.325 331 HB2 PHE 43 2HB PHE 43 -0.836 29.729 10.824 332 HB3 PHE 43 3HB PHE 43 -0.896 27.984 11.053 333 HD1 PHE 43 HD1 PHE 43 1.133 27.520 12.095 334 HD2 PHE 43 HD2 PHE 43 1.079 29.900 8.566 335 HE1 PHE 43 HE1 PHE 43 3.590 27.422 11.995 336 HE2 PHE 43 HE2 PHE 43 3.535 29.806 8.461 337 HZ PHE 43 HZ PHE 43 4.794 28.565 10.176 338 H ALA 44 H ALA 44 -2.326 26.555 10.017 339 HA ALA 44 HA ALA 44 -0.722 24.559 8.796 340 HB1 ALA 44 1HB ALA 44 -3.068 23.304 9.568 341 HB2 ALA 44 2HB ALA 44 -1.606 23.492 10.538 342 HB3 ALA 44 3HB ALA 44 -2.917 24.663 10.682 343 H LEU 45 H LEU 45 -4.027 25.708 8.166 344 HA LEU 45 HA LEU 45 -4.810 23.988 6.186 345 HB2 LEU 45 2HB LEU 45 -5.934 26.116 7.257 346 HB3 LEU 45 3HB LEU 45 -5.334 26.893 5.794 347 HG LEU 45 HG LEU 45 -7.576 26.312 5.358 348 HD11 LEU 45 1HD1 LEU 45 -6.026 24.037 4.152 349 HD12 LEU 45 2HD1 LEU 45 -5.839 25.707 3.621 350 HD13 LEU 45 3HD1 LEU 45 -7.403 24.906 3.474 351 HD21 LEU 45 1HD2 LEU 45 -6.941 23.992 7.003 352 HD22 LEU 45 2HD2 LEU 45 -7.882 23.588 5.567 353 HD23 LEU 45 3HD2 LEU 45 -8.489 24.787 6.710 354 H ASP 46 H ASP 46 -3.241 27.136 5.576 355 HA ASP 46 HA ASP 46 -2.864 26.935 2.871 356 HB2 ASP 46 2HB ASP 46 -2.054 28.691 4.818 357 HB3 ASP 46 3HB ASP 46 -0.520 28.030 4.260 358 H PHE 47 H PHE 47 -0.707 25.709 5.414 359 HA PHE 47 HA PHE 47 1.312 24.715 3.768 360 HB2 PHE 47 2HB PHE 47 0.489 24.407 6.547 361 HB3 PHE 47 3HB PHE 47 1.203 22.935 5.896 362 HD1 PHE 47 HD1 PHE 47 3.371 23.540 4.335 363 HD2 PHE 47 HD2 PHE 47 1.943 25.754 7.678 364 HE1 PHE 47 HE1 PHE 47 5.620 24.484 4.666 365 HE2 PHE 47 HE2 PHE 47 4.189 26.702 8.014 366 HZ PHE 47 HZ PHE 47 6.030 26.068 6.507 367 H SER 48 H SER 48 -1.519 23.018 5.103 368 HA SER 48 HA SER 48 -1.083 20.518 4.013 369 HB2 SER 48 2HB SER 48 -3.188 21.811 5.357 370 HB3 SER 48 3HB SER 48 -3.894 21.169 3.874 371 HG SER 48 HG SER 48 -3.360 19.147 4.476 372 H ARG 49 H ARG 49 -2.776 23.279 2.559 373 HA ARG 49 HA ARG 49 -3.706 22.182 0.235 374 HB2 ARG 49 2HB ARG 49 -4.187 24.467 0.726 375 HB3 ARG 49 3HB ARG 49 -2.481 24.895 0.719 376 HG2 ARG 49 2HG ARG 49 -3.530 25.700 -1.290 377 HG3 ARG 49 3HG ARG 49 -2.395 24.410 -1.693 378 HD2 ARG 49 2HD ARG 49 -4.011 23.122 -2.537 379 HD3 ARG 49 3HD ARG 49 -5.064 23.404 -1.151 380 HE ARG 49 HE ARG 49 -5.135 24.755 -3.685 381 HH11 ARG 49 1HH1 ARG 49 -7.176 26.152 -0.537 382 HH12 ARG 49 2HH1 ARG 49 -5.921 24.981 -0.301 383 HH21 ARG 49 1HH2 ARG 49 -7.667 26.898 -2.647 384 HH22 ARG 49 2HH2 ARG 49 -6.785 26.296 -4.009 385 H GLU 50 H GLU 50 -0.407 23.266 0.917 386 HA GLU 50 HA GLU 50 0.534 22.628 -1.725 387 HB2 GLU 50 2HB GLU 50 1.486 24.129 0.455 388 HB3 GLU 50 3HB GLU 50 2.643 22.824 0.233 389 HG2 GLU 50 2HG GLU 50 1.820 24.929 -1.739 390 HG3 GLU 50 3HG GLU 50 3.419 24.629 -1.062 391 H LYS 51 H LYS 51 0.352 21.029 1.366 392 HA LYS 51 HA LYS 51 2.242 19.001 0.968 393 HB2 LYS 51 2HB LYS 51 1.460 18.124 2.914 394 HB3 LYS 51 3HB LYS 51 0.678 19.694 3.033 395 HG2 LYS 51 2HG LYS 51 -1.113 18.379 3.461 396 HG3 LYS 51 3HG LYS 51 -1.229 18.418 1.700 397 HD2 LYS 51 2HD LYS 51 0.215 16.312 1.732 398 HD3 LYS 51 3HD LYS 51 -0.140 16.236 3.459 399 HE2 LYS 51 2HE LYS 51 -2.562 16.267 2.899 400 HE3 LYS 51 3HE LYS 51 -2.128 16.184 1.192 401 HZ1 LYS 51 1HZ LYS 51 -2.621 14.043 2.675 402 HZ2 LYS 51 2HZ LYS 51 -0.951 14.159 2.913 403 HZ3 LYS 51 3HZ LYS 51 -1.574 14.021 1.346 404 H LYS 52 H LYS 52 -0.996 19.407 -0.241 405 HA LYS 52 HA LYS 52 -1.238 16.671 -1.138 406 HB2 LYS 52 2HB LYS 52 -3.002 18.858 -2.153 407 HB3 LYS 52 3HB LYS 52 -3.405 17.194 -1.747 408 HG2 LYS 52 2HG LYS 52 -2.862 17.942 0.685 409 HG3 LYS 52 3HG LYS 52 -3.123 19.564 0.041 410 HD2 LYS 52 2HD LYS 52 -5.338 18.795 -0.807 411 HD3 LYS 52 3HD LYS 52 -5.072 17.262 0.025 412 HE2 LYS 52 2HE LYS 52 -4.677 18.760 2.109 413 HE3 LYS 52 3HE LYS 52 -5.527 19.989 1.172 414 HZ1 LYS 52 1HZ LYS 52 -6.543 17.549 2.388 415 HZ2 LYS 52 2HZ LYS 52 -7.183 17.946 0.874 416 HZ3 LYS 52 3HZ LYS 52 -7.304 19.043 2.156 417 H LEU 53 H LEU 53 -1.033 19.843 -2.758 418 HA LEU 53 HA LEU 53 -0.872 18.981 -5.371 419 HB2 LEU 53 2HB LEU 53 -0.586 21.389 -4.030 420 HB3 LEU 53 3HB LEU 53 0.958 21.172 -4.852 421 HG LEU 53 HG LEU 53 -0.477 20.763 -6.960 422 HD11 LEU 53 1HD1 LEU 53 -2.593 20.641 -5.549 423 HD12 LEU 53 2HD1 LEU 53 -2.655 21.630 -7.007 424 HD13 LEU 53 3HD1 LEU 53 -2.478 22.396 -5.429 425 HD21 LEU 53 1HD2 LEU 53 0.670 22.678 -7.229 426 HD22 LEU 53 2HD2 LEU 53 0.295 23.255 -5.605 427 HD23 LEU 53 3HD2 LEU 53 -0.887 23.439 -6.901 428 H LEU 54 H LEU 54 1.539 18.848 -2.875 429 HA LEU 54 HA LEU 54 3.773 18.417 -4.604 430 HB2 LEU 54 2HB LEU 54 4.090 19.297 -2.374 431 HB3 LEU 54 3HB LEU 54 3.379 17.846 -1.671 432 HG LEU 54 HG LEU 54 5.950 18.155 -1.639 433 HD11 LEU 54 1HD1 LEU 54 4.499 16.082 -1.147 434 HD12 LEU 54 2HD1 LEU 54 6.218 15.857 -1.469 435 HD13 LEU 54 3HD1 LEU 54 5.034 15.524 -2.733 436 HD21 LEU 54 1HD2 LEU 54 5.707 16.929 -4.371 437 HD22 LEU 54 2HD2 LEU 54 7.157 17.503 -3.547 438 HD23 LEU 54 3HD2 LEU 54 5.960 18.659 -4.135 439 H GLU 55 H GLU 55 2.041 16.227 -2.378 440 HA GLU 55 HA GLU 55 3.260 13.871 -3.283 441 HB2 GLU 55 2HB GLU 55 1.774 14.337 -1.185 442 HB3 GLU 55 3HB GLU 55 0.447 13.885 -2.246 443 HG2 GLU 55 2HG GLU 55 2.056 11.816 -2.707 444 HG3 GLU 55 3HG GLU 55 2.599 12.227 -1.082 445 H CYS 56 H CYS 56 -0.053 15.009 -3.975 446 HA CYS 56 HA CYS 56 0.183 13.843 -6.656 447 HB2 CYS 56 2HB CYS 56 -1.706 13.071 -4.524 448 HB3 CYS 56 3HB CYS 56 -2.434 13.341 -6.103 449 HG CYS 56 HG CYS 56 -0.347 11.555 -7.242 450 H LEU 57 H LEU 57 0.186 15.704 -7.796 451 HA LEU 57 HA LEU 57 -1.090 18.080 -7.205 452 HB2 LEU 57 2HB LEU 57 -0.636 18.758 -9.390 453 HB3 LEU 57 3HB LEU 57 0.619 17.577 -9.022 454 HG LEU 57 HG LEU 57 -1.481 16.150 -10.238 455 HD11 LEU 57 1HD1 LEU 57 -2.377 18.252 -11.066 456 HD12 LEU 57 2HD1 LEU 57 -1.697 17.303 -12.387 457 HD13 LEU 57 3HD1 LEU 57 -0.802 18.677 -11.738 458 HD21 LEU 57 1HD2 LEU 57 0.351 16.264 -12.162 459 HD22 LEU 57 2HD2 LEU 57 0.582 15.314 -10.693 460 HD23 LEU 57 3HD2 LEU 57 1.321 16.910 -10.837 461 H ASP 58 H ASP 58 -3.011 19.065 -7.955 462 HA ASP 58 HA ASP 58 -4.990 17.724 -9.455 463 HB2 ASP 58 2HB ASP 58 -5.263 16.296 -7.534 464 HB3 ASP 58 3HB ASP 58 -5.332 17.684 -6.452 465 H TYR 59 H TYR 59 -4.636 19.918 -10.305 466 HA TYR 59 HA TYR 59 -6.079 21.980 -8.782 467 HB2 TYR 59 2HB TYR 59 -4.916 23.623 -10.160 468 HB3 TYR 59 3HB TYR 59 -3.757 22.546 -9.389 469 HD1 TYR 59 HD1 TYR 59 -2.457 20.969 -10.701 470 HD2 TYR 59 HD2 TYR 59 -5.272 23.559 -12.565 471 HE1 TYR 59 HE1 TYR 59 -1.467 20.458 -12.893 472 HE2 TYR 59 HE2 TYR 59 -4.290 23.054 -14.763 473 HH TYR 59 HH TYR 59 -1.603 20.755 -15.090 474 H LEU 60 H LEU 60 -6.809 23.729 -10.679 475 HA LEU 60 HA LEU 60 -9.143 22.602 -11.761 476 HB2 LEU 60 2HB LEU 60 -8.060 25.160 -11.443 477 HB3 LEU 60 3HB LEU 60 -8.323 24.976 -13.176 478 HG LEU 60 HG LEU 60 -10.694 24.412 -12.707 479 HD11 LEU 60 1HD1 LEU 60 -10.775 23.578 -10.549 480 HD12 LEU 60 2HD1 LEU 60 -11.451 25.196 -10.363 481 HD13 LEU 60 3HD1 LEU 60 -9.779 24.880 -9.897 482 HD21 LEU 60 1HD2 LEU 60 -11.146 26.569 -13.000 483 HD22 LEU 60 2HD2 LEU 60 -9.437 26.897 -12.709 484 HD23 LEU 60 3HD2 LEU 60 -10.590 26.971 -11.376 Start of MODEL 8 1 H LEU 1 H LEU 1 6.500 0.959 5.664 2 HA LEU 1 HA LEU 1 8.172 3.153 5.617 3 HB2 LEU 1 2HB LEU 1 9.654 0.581 6.135 4 HB3 LEU 1 3HB LEU 1 10.411 2.067 5.566 5 HG LEU 1 HG LEU 1 8.967 1.799 8.200 6 HD11 LEU 1 1HD1 LEU 1 11.941 1.901 7.775 7 HD12 LEU 1 2HD1 LEU 1 11.050 0.389 7.953 8 HD13 LEU 1 3HD1 LEU 1 11.059 1.566 9.266 9 HD21 LEU 1 1HD2 LEU 1 10.036 4.025 6.693 10 HD22 LEU 1 2HD2 LEU 1 10.799 3.884 8.278 11 HD23 LEU 1 3HD2 LEU 1 9.044 4.022 8.152 12 H LYS 2 H LYS 2 8.855 3.592 3.561 13 HA LYS 2 HA LYS 2 9.051 1.501 1.576 14 HB2 LYS 2 2HB LYS 2 6.647 3.141 1.858 15 HB3 LYS 2 3HB LYS 2 7.352 3.231 0.250 16 HG2 LYS 2 2HG LYS 2 7.416 0.549 0.738 17 HG3 LYS 2 3HG LYS 2 5.934 1.041 1.562 18 HD2 LYS 2 2HD LYS 2 6.562 1.872 -1.260 19 HD3 LYS 2 3HD LYS 2 5.722 0.366 -0.883 20 HE2 LYS 2 2HE LYS 2 4.371 2.255 0.611 21 HE3 LYS 2 3HE LYS 2 4.740 3.105 -0.889 22 HZ1 LYS 2 1HZ LYS 2 3.442 0.439 -0.769 23 HZ2 LYS 2 2HZ LYS 2 3.657 1.405 -2.140 24 HZ3 LYS 2 3HZ LYS 2 2.597 1.897 -0.917 25 H GLU 3 H GLU 3 9.752 2.351 -0.539 26 HA GLU 3 HA GLU 3 10.903 5.042 -0.433 27 HB2 GLU 3 2HB GLU 3 12.472 2.901 0.125 28 HB3 GLU 3 3HB GLU 3 12.654 2.982 -1.621 29 HG2 GLU 3 2HG GLU 3 13.869 4.867 -1.543 30 HG3 GLU 3 3HG GLU 3 12.928 5.546 -0.217 31 H ASN 4 H ASN 4 8.655 3.800 -1.867 32 HA ASN 4 HA ASN 4 9.557 3.671 -4.628 33 HB2 ASN 4 2HB ASN 4 7.345 2.632 -3.165 34 HB3 ASN 4 3HB ASN 4 6.709 3.670 -4.437 35 HD21 ASN 4 1HD2 ASN 4 8.980 1.027 -3.855 36 HD22 ASN 4 2HD2 ASN 4 8.763 0.269 -5.392 37 H ASP 5 H ASP 5 8.039 4.864 -6.239 38 HA ASP 5 HA ASP 5 8.512 7.585 -6.067 39 HB2 ASP 5 2HB ASP 5 6.710 5.889 -7.734 40 HB3 ASP 5 3HB ASP 5 6.483 7.635 -7.779 41 H HIS 6 H HIS 6 5.334 6.002 -5.699 42 HA HIS 6 HA HIS 6 3.952 8.260 -4.819 43 HB2 HIS 6 2HB HIS 6 3.036 5.967 -5.552 44 HB3 HIS 6 3HB HIS 6 3.295 5.475 -3.881 45 HD1 HIS 6 HD1 HIS 6 0.629 5.153 -3.906 46 HD2 HIS 6 HD2 HIS 6 2.007 9.066 -4.142 47 HE1 HIS 6 HE1 HIS 6 -1.346 6.597 -3.326 48 H ALA 7 H ALA 7 6.153 6.187 -3.156 49 HA ALA 7 HA ALA 7 5.309 6.756 -0.500 50 HB1 ALA 7 1HB ALA 7 8.143 6.064 -1.075 51 HB2 ALA 7 2HB ALA 7 7.064 5.465 0.186 52 HB3 ALA 7 3HB ALA 7 6.893 4.883 -1.470 53 H ARG 8 H ARG 8 8.222 7.849 -2.257 54 HA ARG 8 HA ARG 8 9.043 9.769 -0.441 55 HB2 ARG 8 2HB ARG 8 10.185 10.848 -2.401 56 HB3 ARG 8 3HB ARG 8 10.507 9.129 -2.217 57 HG2 ARG 8 2HG ARG 8 8.907 8.621 -3.973 58 HG3 ARG 8 3HG ARG 8 8.526 10.337 -4.137 59 HD2 ARG 8 2HD ARG 8 11.358 9.435 -4.401 60 HD3 ARG 8 3HD ARG 8 10.246 9.184 -5.746 61 HE ARG 8 HE ARG 8 10.131 11.859 -4.793 62 HH11 ARG 8 1HH1 ARG 8 12.733 10.930 -7.690 63 HH12 ARG 8 2HH1 ARG 8 12.045 9.675 -6.713 64 HH21 ARG 8 1HH2 ARG 8 12.155 13.116 -7.325 65 HH22 ARG 8 2HH2 ARG 8 11.029 13.520 -6.073 66 H PHE 9 H PHE 9 6.535 9.924 -2.864 67 HA PHE 9 HA PHE 9 6.214 12.756 -2.814 68 HB2 PHE 9 2HB PHE 9 4.811 10.451 -4.012 69 HB3 PHE 9 3HB PHE 9 3.799 11.851 -3.671 70 HD1 PHE 9 HD1 PHE 9 3.832 13.728 -5.066 71 HD2 PHE 9 HD2 PHE 9 6.861 10.763 -5.444 72 HE1 PHE 9 HE1 PHE 9 4.621 14.803 -7.135 73 HE2 PHE 9 HE2 PHE 9 7.656 11.833 -7.512 74 HZ PHE 9 HZ PHE 9 6.536 13.856 -8.360 75 H LEU 10 H LEU 10 4.173 10.136 -1.509 76 HA LEU 10 HA LEU 10 2.433 11.763 -0.059 77 HB2 LEU 10 2HB LEU 10 2.728 9.060 -0.505 78 HB3 LEU 10 3HB LEU 10 2.998 9.212 1.230 79 HG LEU 10 HG LEU 10 0.662 10.699 0.488 80 HD11 LEU 10 1HD1 LEU 10 0.243 9.361 -1.366 81 HD12 LEU 10 2HD1 LEU 10 -0.676 8.580 -0.080 82 HD13 LEU 10 3HD1 LEU 10 0.875 7.911 -0.586 83 HD21 LEU 10 1HD2 LEU 10 -0.125 9.801 2.398 84 HD22 LEU 10 2HD2 LEU 10 1.561 9.343 2.640 85 HD23 LEU 10 3HD2 LEU 10 0.415 8.174 1.983 86 H GLN 11 H GLN 11 5.469 10.222 0.926 87 HA GLN 11 HA GLN 11 5.435 10.878 3.626 88 HB2 GLN 11 2HB GLN 11 7.084 9.376 2.497 89 HB3 GLN 11 3HB GLN 11 7.877 10.804 1.847 90 HG2 GLN 11 2HG GLN 11 7.611 11.166 4.641 91 HG3 GLN 11 3HG GLN 11 8.251 9.548 4.362 92 HE21 GLN 11 1HE2 GLN 11 10.058 9.471 2.720 93 HE22 GLN 11 2HE2 GLN 11 11.252 10.715 2.826 94 H THR 12 H THR 12 6.772 12.729 0.900 95 HA THR 12 HA THR 12 7.742 14.900 2.369 96 HB THR 12 HB THR 12 6.793 14.675 -0.481 97 HG1 THR 12 HG1 THR 12 9.010 14.759 -0.880 98 HG21 THR 12 1HG2 THR 12 7.923 17.097 0.922 99 HG22 THR 12 2HG2 THR 12 6.363 16.961 0.112 100 HG23 THR 12 3HG2 THR 12 7.852 16.913 -0.830 101 H ALA 13 H ALA 13 4.630 14.569 0.660 102 HA ALA 13 HA ALA 13 3.509 17.005 1.288 103 HB1 ALA 13 1HB ALA 13 1.896 16.091 0.071 104 HB2 ALA 13 2HB ALA 13 2.581 14.483 0.310 105 HB3 ALA 13 3HB ALA 13 1.420 15.129 1.470 106 H LYS 14 H LYS 14 3.150 13.980 3.145 107 HA LYS 14 HA LYS 14 1.712 15.109 5.278 108 HB2 LYS 14 2HB LYS 14 3.005 12.568 4.677 109 HB3 LYS 14 3HB LYS 14 3.129 12.989 6.380 110 HG2 LYS 14 2HG LYS 14 0.489 13.534 5.732 111 HG3 LYS 14 3HG LYS 14 0.857 12.039 4.869 112 HD2 LYS 14 2HD LYS 14 1.675 11.044 6.955 113 HD3 LYS 14 3HD LYS 14 1.295 12.538 7.814 114 HE2 LYS 14 2HE LYS 14 -1.083 12.244 7.097 115 HE3 LYS 14 3HE LYS 14 -0.637 10.663 6.458 116 HZ1 LYS 14 1HZ LYS 14 0.070 11.245 9.232 117 HZ2 LYS 14 2HZ LYS 14 -0.412 9.787 8.523 118 HZ3 LYS 14 3HZ LYS 14 -1.564 10.971 8.891 119 H ASN 15 H ASN 15 5.187 14.503 4.872 120 HA ASN 15 HA ASN 15 6.079 15.273 7.376 121 HB2 ASN 15 2HB ASN 15 7.545 14.261 5.699 122 HB3 ASN 15 3HB ASN 15 7.431 15.709 4.703 123 HD21 ASN 15 1HD2 ASN 15 9.460 16.441 4.726 124 HD22 ASN 15 2HD2 ASN 15 10.346 16.857 6.150 125 H ILE 16 H ILE 16 5.006 17.234 4.697 126 HA ILE 16 HA ILE 16 6.059 19.708 5.582 127 HB ILE 16 HB ILE 16 3.682 19.124 3.814 128 HG12 ILE 16 2HG1 ILE 16 6.228 20.279 2.801 129 HG13 ILE 16 3HG1 ILE 16 6.248 18.580 3.259 130 HG21 ILE 16 1HG2 ILE 16 3.192 21.275 4.356 131 HG22 ILE 16 2HG2 ILE 16 4.859 21.666 4.778 132 HG23 ILE 16 3HG2 ILE 16 4.373 21.588 3.085 133 HD11 ILE 16 1HD1 ILE 16 3.941 19.170 1.650 134 HD12 ILE 16 2HD1 ILE 16 5.425 19.669 0.838 135 HD13 ILE 16 3HD1 ILE 16 5.234 18.002 1.382 136 H THR 17 H THR 17 2.843 18.230 5.940 137 HA THR 17 HA THR 17 1.869 20.361 7.597 138 HB THR 17 HB THR 17 0.439 17.796 7.749 139 HG1 THR 17 HG1 THR 17 -0.192 17.844 5.568 140 HG21 THR 17 1HG2 THR 17 -1.453 19.139 7.528 141 HG22 THR 17 2HG2 THR 17 -0.583 20.387 6.636 142 HG23 THR 17 3HG2 THR 17 -0.317 20.193 8.368 143 H GLU 18 H GLU 18 3.540 17.378 8.112 144 HA GLU 18 HA GLU 18 2.821 17.134 10.889 145 HB2 GLU 18 2HB GLU 18 4.685 15.695 9.041 146 HB3 GLU 18 3HB GLU 18 4.853 15.477 10.777 147 HG2 GLU 18 2HG GLU 18 2.336 14.939 10.733 148 HG3 GLU 18 3HG GLU 18 2.572 14.724 8.999 149 H ARG 19 H ARG 19 5.573 18.341 9.043 150 HA ARG 19 HA ARG 19 7.249 18.820 11.286 151 HB2 ARG 19 2HB ARG 19 7.972 18.618 8.863 152 HB3 ARG 19 3HB ARG 19 7.365 20.252 8.633 153 HG2 ARG 19 2HG ARG 19 8.992 20.492 10.840 154 HG3 ARG 19 3HG ARG 19 9.849 19.335 9.819 155 HD2 ARG 19 2HD ARG 19 9.576 20.933 7.918 156 HD3 ARG 19 3HD ARG 19 8.914 22.099 9.063 157 HE ARG 19 HE ARG 19 11.661 21.466 8.665 158 HH11 ARG 19 1HH1 ARG 19 10.512 23.204 12.084 159 HH12 ARG 19 2HH1 ARG 19 9.338 22.426 11.074 160 HH21 ARG 19 1HH2 ARG 19 12.717 23.239 11.464 161 HH22 ARG 19 2HH2 ARG 19 13.216 22.487 9.986 162 H VAL 20 H VAL 20 5.091 20.898 9.380 163 HA VAL 20 HA VAL 20 5.621 23.327 10.620 164 HB VAL 20 HB VAL 20 4.268 23.248 8.628 165 HG11 VAL 20 1HG1 VAL 20 2.114 22.269 8.493 166 HG12 VAL 20 2HG1 VAL 20 3.165 21.062 9.236 167 HG13 VAL 20 3HG1 VAL 20 2.052 21.997 10.235 168 HG21 VAL 20 1HG2 VAL 20 2.691 24.274 10.986 169 HG22 VAL 20 2HG2 VAL 20 3.921 25.158 10.084 170 HG23 VAL 20 3HG2 VAL 20 2.405 24.712 9.301 171 H SER 21 H SER 21 3.259 20.829 11.503 172 HA SER 21 HA SER 21 2.041 22.161 13.627 173 HB2 SER 21 2HB SER 21 1.809 19.662 12.464 174 HB3 SER 21 3HB SER 21 2.365 19.293 14.097 175 HG SER 21 HG SER 21 0.179 19.423 14.232 176 H MET 22 H MET 22 4.830 19.954 13.655 177 HA MET 22 HA MET 22 5.318 19.959 16.393 178 HB2 MET 22 2HB MET 22 6.814 19.282 13.968 179 HB3 MET 22 3HB MET 22 7.838 19.806 15.298 180 HG2 MET 22 2HG MET 22 6.662 18.119 16.734 181 HG3 MET 22 3HG MET 22 5.899 17.513 15.266 182 HE1 MET 22 1HE MET 22 7.236 17.318 13.195 183 HE2 MET 22 2HE MET 22 8.970 17.022 13.079 184 HE3 MET 22 3HE MET 22 7.864 15.680 13.379 185 H ALA 23 H ALA 23 6.411 22.205 13.890 186 HA ALA 23 HA ALA 23 8.147 23.728 15.493 187 HB1 ALA 23 1HB ALA 23 7.950 25.444 13.765 188 HB2 ALA 23 2HB ALA 23 8.165 23.843 13.057 189 HB3 ALA 23 3HB ALA 23 6.569 24.593 13.072 190 H THR 24 H THR 24 4.833 24.539 14.437 191 HA THR 24 HA THR 24 4.488 26.800 16.000 192 HB THR 24 HB THR 24 2.027 25.267 15.838 193 HG1 THR 24 HG1 THR 24 3.287 25.760 13.344 194 HG21 THR 24 1HG2 THR 24 3.099 27.905 15.041 195 HG22 THR 24 2HG2 THR 24 1.584 27.491 15.845 196 HG23 THR 24 3HG2 THR 24 1.737 27.300 14.099 197 H ALA 25 H ALA 25 4.362 23.444 16.897 198 HA ALA 25 HA ALA 25 3.039 23.893 19.414 199 HB1 ALA 25 1HB ALA 25 4.135 21.569 17.958 200 HB2 ALA 25 2HB ALA 25 4.100 21.450 19.718 201 HB3 ALA 25 3HB ALA 25 2.610 21.753 18.824 202 H SER 26 H SER 26 6.316 23.799 18.247 203 HA SER 26 HA SER 26 7.353 23.882 20.990 204 HB2 SER 26 2HB SER 26 8.320 22.759 18.525 205 HB3 SER 26 3HB SER 26 9.491 23.926 19.140 206 HG SER 26 HG SER 26 9.716 22.759 20.967 207 H SER 27 H SER 27 6.161 26.030 18.954 208 HA SER 27 HA SER 27 8.278 28.033 19.327 209 HB2 SER 27 2HB SER 27 7.490 27.757 17.019 210 HB3 SER 27 3HB SER 27 5.838 28.098 17.533 211 HG SER 27 HG SER 27 8.015 29.825 17.251 212 H GLN 28 H GLN 28 4.910 27.322 20.015 213 HA GLN 28 HA GLN 28 4.894 29.568 21.915 214 HB2 GLN 28 2HB GLN 28 2.979 28.946 19.746 215 HB3 GLN 28 3HB GLN 28 2.273 29.406 21.289 216 HG2 GLN 28 2HG GLN 28 2.485 31.488 20.517 217 HG3 GLN 28 3HG GLN 28 4.172 31.316 20.997 218 HE21 GLN 28 1HE2 GLN 28 2.973 32.948 18.894 219 HE22 GLN 28 2HE2 GLN 28 3.746 32.473 17.424 220 H VAL 29 H VAL 29 2.509 27.067 21.095 221 HA VAL 29 HA VAL 29 3.026 25.348 23.245 222 HB VAL 29 HB VAL 29 2.366 27.172 24.696 223 HG11 VAL 29 1HG1 VAL 29 1.037 28.464 23.127 224 HG12 VAL 29 2HG1 VAL 29 -0.208 27.213 23.123 225 HG13 VAL 29 3HG1 VAL 29 0.110 28.138 24.591 226 HG21 VAL 29 1HG2 VAL 29 1.714 24.875 25.304 227 HG22 VAL 29 2HG2 VAL 29 0.594 26.080 25.939 228 HG23 VAL 29 3HG2 VAL 29 0.154 25.127 24.521 229 H LEU 30 H LEU 30 0.674 26.753 21.059 230 HA LEU 30 HA LEU 30 -0.894 25.812 19.706 231 HB2 LEU 30 2HB LEU 30 1.058 24.076 19.561 232 HB3 LEU 30 3HB LEU 30 -0.035 23.068 20.506 233 HG LEU 30 HG LEU 30 -1.599 23.978 18.400 234 HD11 LEU 30 1HD1 LEU 30 1.232 23.778 17.601 235 HD12 LEU 30 2HD1 LEU 30 -0.095 24.685 16.876 236 HD13 LEU 30 3HD1 LEU 30 0.069 22.957 16.561 237 HD21 LEU 30 1HD2 LEU 30 -0.800 21.494 17.614 238 HD22 LEU 30 2HD2 LEU 30 -2.049 21.823 18.816 239 HD23 LEU 30 3HD2 LEU 30 -0.397 21.476 19.331 240 H ILE 31 H ILE 31 -2.207 26.674 21.600 241 HA ILE 31 HA ILE 31 -4.056 24.584 22.402 242 HB ILE 31 HB ILE 31 -4.094 25.343 24.768 243 HG12 ILE 31 2HG1 ILE 31 -1.502 26.399 25.052 244 HG13 ILE 31 3HG1 ILE 31 -2.235 27.288 23.721 245 HG21 ILE 31 1HG2 ILE 31 -1.471 24.227 23.786 246 HG22 ILE 31 2HG2 ILE 31 -2.054 24.147 25.447 247 HG23 ILE 31 3HG2 ILE 31 -2.926 23.307 24.165 248 HD11 ILE 31 1HD1 ILE 31 -4.177 27.759 25.201 249 HD12 ILE 31 2HD1 ILE 31 -3.276 27.022 26.526 250 HD13 ILE 31 3HD1 ILE 31 -2.657 28.473 25.739 251 HA PRO 32 HA PRO 32 -7.045 27.729 21.727 252 HB2 PRO 32 2HB PRO 32 -9.024 26.928 23.405 253 HB3 PRO 32 3HB PRO 32 -8.637 26.081 21.902 254 HG2 PRO 32 2HG PRO 32 -7.834 25.422 24.710 255 HG3 PRO 32 3HG PRO 32 -8.397 24.339 23.423 256 HD2 PRO 32 2HD PRO 32 -5.779 24.606 24.060 257 HD3 PRO 32 3HD PRO 32 -6.330 24.266 22.407 258 H GLU 33 H GLU 33 -6.400 29.699 22.446 259 HA GLU 33 HA GLU 33 -6.751 30.272 25.316 260 HB2 GLU 33 2HB GLU 33 -4.579 30.878 23.466 261 HB3 GLU 33 3HB GLU 33 -5.168 32.308 24.302 262 HG2 GLU 33 2HG GLU 33 -4.879 30.155 26.164 263 HG3 GLU 33 3HG GLU 33 -3.386 30.365 25.251 264 H ILE 34 H ILE 34 -6.380 32.350 22.458 265 HA ILE 34 HA ILE 34 -9.100 33.348 22.803 266 HB ILE 34 HB ILE 34 -6.681 35.154 22.892 267 HG12 ILE 34 2HG1 ILE 34 -7.237 33.997 25.024 268 HG13 ILE 34 3HG1 ILE 34 -7.432 35.743 25.119 269 HG21 ILE 34 1HG2 ILE 34 -8.801 36.751 23.420 270 HG22 ILE 34 2HG2 ILE 34 -8.064 36.572 21.829 271 HG23 ILE 34 3HG2 ILE 34 -9.504 35.643 22.243 272 HD11 ILE 34 1HD1 ILE 34 -9.538 35.511 25.742 273 HD12 ILE 34 2HD1 ILE 34 -9.898 34.533 24.319 274 HD13 ILE 34 3HD1 ILE 34 -9.292 33.766 25.787 275 H ASN 35 H ASN 35 -6.112 34.228 21.054 276 HA ASN 35 HA ASN 35 -7.613 33.936 18.538 277 HB2 ASN 35 2HB ASN 35 -7.126 36.352 19.332 278 HB3 ASN 35 3HB ASN 35 -5.458 36.006 18.884 279 HD21 ASN 35 1HD2 ASN 35 -4.958 36.733 16.961 280 HD22 ASN 35 2HD2 ASN 35 -6.007 36.815 15.590 281 H LEU 36 H LEU 36 -6.171 31.850 19.530 282 HA LEU 36 HA LEU 36 -3.677 31.877 17.966 283 HB2 LEU 36 2HB LEU 36 -3.177 31.431 20.232 284 HB3 LEU 36 3HB LEU 36 -4.515 30.293 20.378 285 HG LEU 36 HG LEU 36 -2.332 29.642 18.466 286 HD11 LEU 36 1HD1 LEU 36 -1.428 30.475 20.782 287 HD12 LEU 36 2HD1 LEU 36 -0.780 29.018 20.030 288 HD13 LEU 36 3HD1 LEU 36 -1.971 28.887 21.324 289 HD21 LEU 36 1HD2 LEU 36 -2.952 27.430 19.949 290 HD22 LEU 36 2HD2 LEU 36 -3.689 27.864 18.406 291 HD23 LEU 36 3HD2 LEU 36 -4.484 28.302 19.919 292 H ASN 37 H ASN 37 -6.813 30.575 18.170 293 HA ASN 37 HA ASN 37 -6.257 28.135 16.744 294 HB2 ASN 37 2HB ASN 37 -8.885 29.504 17.361 295 HB3 ASN 37 3HB ASN 37 -8.717 27.887 16.684 296 HD21 ASN 37 1HD2 ASN 37 -10.012 28.643 19.127 297 HD22 ASN 37 2HD2 ASN 37 -9.189 27.826 20.408 298 H ASP 38 H ASP 38 -6.882 31.405 15.935 299 HA ASP 38 HA ASP 38 -7.860 30.852 13.272 300 HB2 ASP 38 2HB ASP 38 -8.724 32.839 14.209 301 HB3 ASP 38 3HB ASP 38 -7.135 33.371 14.754 302 H THR 39 H THR 39 -4.907 32.277 14.660 303 HA THR 39 HA THR 39 -3.502 32.631 12.281 304 HB THR 39 HB THR 39 -1.880 31.791 14.603 305 HG1 THR 39 HG1 THR 39 -3.276 34.245 14.792 306 HG21 THR 39 1HG2 THR 39 -1.857 34.454 13.224 307 HG22 THR 39 2HG2 THR 39 -1.181 33.027 12.437 308 HG23 THR 39 3HG2 THR 39 -0.525 33.579 13.978 309 H PHE 40 H PHE 40 -3.461 29.860 14.516 310 HA PHE 40 HA PHE 40 -1.624 28.295 13.102 311 HB2 PHE 40 2HB PHE 40 -2.467 27.895 15.448 312 HB3 PHE 40 3HB PHE 40 -3.935 27.236 14.733 313 HD1 PHE 40 HD1 PHE 40 -0.390 26.825 13.691 314 HD2 PHE 40 HD2 PHE 40 -3.900 24.977 15.233 315 HE1 PHE 40 HE1 PHE 40 0.693 24.623 13.509 316 HE2 PHE 40 HE2 PHE 40 -2.822 22.773 15.055 317 HZ PHE 40 HZ PHE 40 -0.522 22.594 14.193 318 H ASP 41 H ASP 41 -5.151 28.484 12.875 319 HA ASP 41 HA ASP 41 -5.571 26.390 11.083 320 HB2 ASP 41 2HB ASP 41 -7.081 28.639 12.104 321 HB3 ASP 41 3HB ASP 41 -7.433 28.370 10.400 322 H THR 42 H THR 42 -5.392 29.865 10.287 323 HA THR 42 HA THR 42 -5.315 29.557 7.516 324 HB THR 42 HB THR 42 -5.480 31.712 9.085 325 HG1 THR 42 HG1 THR 42 -5.317 32.884 7.177 326 HG21 THR 42 1HG2 THR 42 -2.996 31.422 9.633 327 HG22 THR 42 2HG2 THR 42 -3.532 33.029 9.144 328 HG23 THR 42 3HG2 THR 42 -2.692 31.991 7.993 329 H PHE 43 H PHE 43 -2.830 29.162 9.900 330 HA PHE 43 HA PHE 43 -0.611 29.397 8.117 331 HB2 PHE 43 2HB PHE 43 -0.474 29.708 10.599 332 HB3 PHE 43 3HB PHE 43 -0.712 27.973 10.783 333 HD1 PHE 43 HD1 PHE 43 1.306 27.277 11.717 334 HD2 PHE 43 HD2 PHE 43 1.333 29.731 8.240 335 HE1 PHE 43 HE1 PHE 43 3.730 26.920 11.488 336 HE2 PHE 43 HE2 PHE 43 3.757 29.377 8.005 337 HZ PHE 43 HZ PHE 43 4.958 27.970 9.630 338 H ALA 44 H ALA 44 -1.973 26.557 9.797 339 HA ALA 44 HA ALA 44 -0.542 24.620 8.400 340 HB1 ALA 44 1HB ALA 44 -3.222 23.744 9.102 341 HB2 ALA 44 2HB ALA 44 -1.657 23.198 9.707 342 HB3 ALA 44 3HB ALA 44 -2.428 24.619 10.412 343 H LEU 45 H LEU 45 -3.768 25.954 7.728 344 HA LEU 45 HA LEU 45 -4.572 24.421 5.621 345 HB2 LEU 45 2HB LEU 45 -6.134 25.983 6.184 346 HB3 LEU 45 3HB LEU 45 -4.944 27.273 6.344 347 HG LEU 45 HG LEU 45 -4.856 27.534 3.936 348 HD11 LEU 45 1HD1 LEU 45 -5.348 25.823 2.616 349 HD12 LEU 45 2HD1 LEU 45 -7.049 26.041 3.027 350 HD13 LEU 45 3HD1 LEU 45 -6.052 24.929 3.964 351 HD21 LEU 45 1HD2 LEU 45 -6.470 28.934 4.834 352 HD22 LEU 45 2HD2 LEU 45 -7.533 27.596 5.273 353 HD23 LEU 45 3HD2 LEU 45 -7.362 28.070 3.582 354 H ASP 46 H ASP 46 -2.734 27.459 5.252 355 HA ASP 46 HA ASP 46 -2.259 27.360 2.552 356 HB2 ASP 46 2HB ASP 46 -1.435 28.978 4.597 357 HB3 ASP 46 3HB ASP 46 0.081 28.220 4.116 358 H PHE 47 H PHE 47 -0.249 25.928 5.114 359 HA PHE 47 HA PHE 47 1.731 24.841 3.483 360 HB2 PHE 47 2HB PHE 47 0.833 24.518 6.238 361 HB3 PHE 47 3HB PHE 47 1.474 23.024 5.564 362 HD1 PHE 47 HD1 PHE 47 3.673 23.684 3.963 363 HD2 PHE 47 HD2 PHE 47 2.371 25.607 7.530 364 HE1 PHE 47 HE1 PHE 47 5.964 24.487 4.362 365 HE2 PHE 47 HE2 PHE 47 4.660 26.413 7.935 366 HZ PHE 47 HZ PHE 47 6.460 25.855 6.349 367 H SER 48 H SER 48 -1.121 23.181 4.838 368 HA SER 48 HA SER 48 -0.816 20.740 3.591 369 HB2 SER 48 2HB SER 48 -2.693 21.806 5.236 370 HB3 SER 48 3HB SER 48 -3.600 21.731 3.725 371 HG SER 48 HG SER 48 -3.770 19.668 4.019 372 H ARG 49 H ARG 49 -2.423 23.648 2.356 373 HA ARG 49 HA ARG 49 -3.543 22.731 0.040 374 HB2 ARG 49 2HB ARG 49 -3.334 25.151 1.050 375 HB3 ARG 49 3HB ARG 49 -1.978 25.279 -0.063 376 HG2 ARG 49 2HG ARG 49 -4.012 24.228 -1.614 377 HG3 ARG 49 3HG ARG 49 -4.821 25.407 -0.580 378 HD2 ARG 49 2HD ARG 49 -2.713 26.872 -1.269 379 HD3 ARG 49 3HD ARG 49 -2.753 25.805 -2.672 380 HE ARG 49 HE ARG 49 -5.309 26.635 -2.490 381 HH11 ARG 49 1HH1 ARG 49 -2.918 29.757 -3.242 382 HH12 ARG 49 2HH1 ARG 49 -2.269 28.331 -2.502 383 HH21 ARG 49 1HH2 ARG 49 -5.141 29.855 -3.788 384 HH22 ARG 49 2HH2 ARG 49 -6.176 28.506 -3.465 385 H GLU 50 H GLU 50 -0.151 23.661 0.523 386 HA GLU 50 HA GLU 50 0.628 23.099 -2.158 387 HB2 GLU 50 2HB GLU 50 1.841 24.171 0.195 388 HB3 GLU 50 3HB GLU 50 2.866 22.881 -0.418 389 HG2 GLU 50 2HG GLU 50 2.094 24.402 -2.648 390 HG3 GLU 50 3HG GLU 50 2.539 25.549 -1.386 391 H LYS 51 H LYS 51 0.541 21.256 0.824 392 HA LYS 51 HA LYS 51 2.121 19.076 0.013 393 HB2 LYS 51 2HB LYS 51 1.773 18.884 2.242 394 HB3 LYS 51 3HB LYS 51 0.188 19.640 2.163 395 HG2 LYS 51 2HG LYS 51 0.303 16.980 0.953 396 HG3 LYS 51 3HG LYS 51 0.650 17.011 2.683 397 HD2 LYS 51 2HD LYS 51 -1.448 17.798 3.225 398 HD3 LYS 51 3HD LYS 51 -1.699 18.529 1.638 399 HE2 LYS 51 2HE LYS 51 -3.091 16.503 2.073 400 HE3 LYS 51 3HE LYS 51 -2.075 16.393 0.637 401 HZ1 LYS 51 1HZ LYS 51 -0.554 15.000 1.774 402 HZ2 LYS 51 2HZ LYS 51 -2.096 14.372 2.072 403 HZ3 LYS 51 3HZ LYS 51 -1.302 15.265 3.269 404 H LYS 52 H LYS 52 -1.398 19.567 -0.116 405 HA LYS 52 HA LYS 52 -2.099 17.104 -1.212 406 HB2 LYS 52 2HB LYS 52 -3.789 18.586 -0.345 407 HB3 LYS 52 3HB LYS 52 -3.382 19.821 -1.529 408 HG2 LYS 52 2HG LYS 52 -5.395 18.777 -2.233 409 HG3 LYS 52 3HG LYS 52 -4.110 18.239 -3.317 410 HD2 LYS 52 2HD LYS 52 -3.990 16.117 -2.268 411 HD3 LYS 52 3HD LYS 52 -4.982 16.655 -0.910 412 HE2 LYS 52 2HE LYS 52 -6.806 17.061 -2.676 413 HE3 LYS 52 3HE LYS 52 -5.812 16.059 -3.732 414 HZ1 LYS 52 1HZ LYS 52 -7.684 15.070 -2.150 415 HZ2 LYS 52 2HZ LYS 52 -6.374 14.992 -1.083 416 HZ3 LYS 52 3HZ LYS 52 -6.297 14.200 -2.576 417 H LEU 53 H LEU 53 -1.530 20.184 -2.918 418 HA LEU 53 HA LEU 53 -1.838 19.286 -5.513 419 HB2 LEU 53 2HB LEU 53 -1.236 21.650 -4.419 420 HB3 LEU 53 3HB LEU 53 0.364 21.201 -5.006 421 HG LEU 53 HG LEU 53 -1.362 20.757 -7.160 422 HD11 LEU 53 1HD1 LEU 53 -3.121 22.023 -6.164 423 HD12 LEU 53 2HD1 LEU 53 -2.381 23.022 -7.413 424 HD13 LEU 53 3HD1 LEU 53 -2.012 23.318 -5.715 425 HD21 LEU 53 1HD2 LEU 53 0.434 23.116 -6.602 426 HD22 LEU 53 2HD2 LEU 53 -0.115 22.567 -8.186 427 HD23 LEU 53 3HD2 LEU 53 0.964 21.553 -7.226 428 H LEU 54 H LEU 54 0.788 18.763 -3.306 429 HA LEU 54 HA LEU 54 2.735 17.997 -5.237 430 HB2 LEU 54 2HB LEU 54 3.021 18.699 -2.757 431 HB3 LEU 54 3HB LEU 54 2.714 16.997 -2.417 432 HG LEU 54 HG LEU 54 4.940 17.978 -4.198 433 HD11 LEU 54 1HD1 LEU 54 4.942 17.296 -1.266 434 HD12 LEU 54 2HD1 LEU 54 5.398 18.824 -2.019 435 HD13 LEU 54 3HD1 LEU 54 6.399 17.392 -2.255 436 HD21 LEU 54 1HD2 LEU 54 5.780 15.623 -3.499 437 HD22 LEU 54 2HD2 LEU 54 4.569 15.770 -4.774 438 HD23 LEU 54 3HD2 LEU 54 4.080 15.317 -3.140 439 H GLU 55 H GLU 55 0.874 16.039 -2.902 440 HA GLU 55 HA GLU 55 1.580 13.559 -4.033 441 HB2 GLU 55 2HB GLU 55 0.387 14.265 -1.739 442 HB3 GLU 55 3HB GLU 55 -1.041 13.809 -2.657 443 HG2 GLU 55 2HG GLU 55 1.143 11.878 -2.831 444 HG3 GLU 55 3HG GLU 55 0.513 12.111 -1.201 445 H CYS 56 H CYS 56 -1.451 15.418 -4.298 446 HA CYS 56 HA CYS 56 -1.911 14.115 -6.895 447 HB2 CYS 56 2HB CYS 56 -3.496 13.845 -4.544 448 HB3 CYS 56 3HB CYS 56 -4.421 14.783 -5.710 449 HG CYS 56 HG CYS 56 -4.303 11.629 -5.539 450 H LEU 57 H LEU 57 -1.639 15.687 -8.343 451 HA LEU 57 HA LEU 57 -1.908 18.431 -7.864 452 HB2 LEU 57 2HB LEU 57 -2.192 17.044 -10.523 453 HB3 LEU 57 3HB LEU 57 -1.727 18.721 -10.244 454 HG LEU 57 HG LEU 57 0.054 16.790 -8.962 455 HD11 LEU 57 1HD1 LEU 57 -0.633 16.512 -11.818 456 HD12 LEU 57 2HD1 LEU 57 0.027 15.333 -10.685 457 HD13 LEU 57 3HD1 LEU 57 1.086 16.535 -11.424 458 HD21 LEU 57 1HD2 LEU 57 1.114 18.607 -10.978 459 HD22 LEU 57 2HD2 LEU 57 1.517 18.449 -9.268 460 HD23 LEU 57 3HD2 LEU 57 0.127 19.418 -9.760 461 H ASP 58 H ASP 58 -3.430 19.837 -9.249 462 HA ASP 58 HA ASP 58 -6.112 18.716 -9.490 463 HB2 ASP 58 2HB ASP 58 -5.421 20.027 -7.173 464 HB3 ASP 58 3HB ASP 58 -6.129 21.319 -8.138 465 H TYR 59 H TYR 59 -7.606 20.809 -10.084 466 HA TYR 59 HA TYR 59 -6.653 21.605 -12.649 467 HB2 TYR 59 2HB TYR 59 -9.148 21.529 -11.297 468 HB3 TYR 59 3HB TYR 59 -8.899 23.185 -11.840 469 HD1 TYR 59 HD1 TYR 59 -7.521 22.886 -14.371 470 HD2 TYR 59 HD2 TYR 59 -10.675 20.547 -12.733 471 HE1 TYR 59 HE1 TYR 59 -8.220 22.250 -16.641 472 HE2 TYR 59 HE2 TYR 59 -11.382 19.903 -14.999 473 HH TYR 59 HH TYR 59 -9.550 20.151 -17.637 474 H LEU 60 H LEU 60 -5.863 23.530 -13.347 475 HA LEU 60 HA LEU 60 -5.121 25.461 -11.267 476 HB2 LEU 60 2HB LEU 60 -3.674 24.290 -13.328 477 HB3 LEU 60 3HB LEU 60 -3.980 25.933 -13.887 478 HG LEU 60 HG LEU 60 -2.787 25.370 -11.187 479 HD11 LEU 60 1HD1 LEU 60 -1.552 25.134 -13.836 480 HD12 LEU 60 2HD1 LEU 60 -1.034 24.494 -12.277 481 HD13 LEU 60 3HD1 LEU 60 -0.684 26.169 -12.703 482 HD21 LEU 60 1HD2 LEU 60 -1.781 27.697 -11.869 483 HD22 LEU 60 2HD2 LEU 60 -3.408 27.577 -11.199 484 HD23 LEU 60 3HD2 LEU 60 -3.182 27.746 -12.940 Start of MODEL 9 1 H LEU 1 H LEU 1 9.946 5.270 -0.100 2 HA LEU 1 HA LEU 1 11.009 4.543 2.462 3 HB2 LEU 1 2HB LEU 1 8.224 4.760 2.251 4 HB3 LEU 1 3HB LEU 1 8.574 3.034 2.180 5 HG LEU 1 HG LEU 1 10.071 3.735 4.312 6 HD11 LEU 1 1HD1 LEU 1 8.154 5.894 3.897 7 HD12 LEU 1 2HD1 LEU 1 9.588 5.828 4.922 8 HD13 LEU 1 3HD1 LEU 1 8.060 5.163 5.499 9 HD21 LEU 1 1HD2 LEU 1 8.364 1.932 4.102 10 HD22 LEU 1 2HD2 LEU 1 7.122 3.131 4.461 11 HD23 LEU 1 3HD2 LEU 1 8.357 2.753 5.663 12 H LYS 2 H LYS 2 12.543 3.252 1.647 13 HA LYS 2 HA LYS 2 13.534 1.452 0.671 14 HB2 LYS 2 2HB LYS 2 10.767 0.287 0.369 15 HB3 LYS 2 3HB LYS 2 12.293 -0.582 0.458 16 HG2 LYS 2 2HG LYS 2 12.548 0.277 2.793 17 HG3 LYS 2 3HG LYS 2 10.905 0.909 2.671 18 HD2 LYS 2 2HD LYS 2 9.957 -1.195 2.630 19 HD3 LYS 2 3HD LYS 2 11.428 -1.959 2.022 20 HE2 LYS 2 2HE LYS 2 11.867 -0.740 4.604 21 HE3 LYS 2 3HE LYS 2 10.528 -1.886 4.662 22 HZ1 LYS 2 1HZ LYS 2 13.172 -2.512 4.802 23 HZ2 LYS 2 2HZ LYS 2 12.777 -2.890 3.202 24 HZ3 LYS 2 3HZ LYS 2 11.916 -3.597 4.475 25 H GLU 3 H GLU 3 12.843 3.664 -0.954 26 HA GLU 3 HA GLU 3 12.835 4.281 -3.144 27 HB2 GLU 3 2HB GLU 3 13.207 1.364 -3.817 28 HB3 GLU 3 3HB GLU 3 13.673 2.758 -4.781 29 HG2 GLU 3 2HG GLU 3 15.699 2.519 -3.917 30 HG3 GLU 3 3HG GLU 3 15.025 3.140 -2.411 31 H ASN 4 H ASN 4 10.841 4.983 -3.624 32 HA ASN 4 HA ASN 4 9.083 3.280 -5.111 33 HB2 ASN 4 2HB ASN 4 8.599 3.719 -2.263 34 HB3 ASN 4 3HB ASN 4 7.237 4.204 -3.268 35 HD21 ASN 4 1HD2 ASN 4 7.052 2.469 -5.206 36 HD22 ASN 4 2HD2 ASN 4 6.877 0.850 -4.626 37 H ASP 5 H ASP 5 6.985 4.530 -5.635 38 HA ASP 5 HA ASP 5 7.765 7.295 -6.236 39 HB2 ASP 5 2HB ASP 5 6.004 5.292 -7.581 40 HB3 ASP 5 3HB ASP 5 5.651 7.004 -7.803 41 H HIS 6 H HIS 6 4.682 5.596 -5.652 42 HA HIS 6 HA HIS 6 3.302 7.873 -4.768 43 HB2 HIS 6 2HB HIS 6 2.283 5.701 -5.550 44 HB3 HIS 6 3HB HIS 6 2.690 5.022 -3.977 45 HD1 HIS 6 HD1 HIS 6 0.383 4.725 -3.033 46 HD2 HIS 6 HD2 HIS 6 1.038 8.565 -4.477 47 HE1 HIS 6 HE1 HIS 6 -1.618 6.065 -2.311 48 H ALA 7 H ALA 7 5.472 5.727 -3.142 49 HA ALA 7 HA ALA 7 4.662 6.230 -0.477 50 HB1 ALA 7 1HB ALA 7 7.481 5.572 -1.259 51 HB2 ALA 7 2HB ALA 7 6.589 5.095 0.187 52 HB3 ALA 7 3HB ALA 7 6.191 4.374 -1.372 53 H ARG 8 H ARG 8 7.460 7.508 -2.293 54 HA ARG 8 HA ARG 8 8.242 9.394 -0.392 55 HB2 ARG 8 2HB ARG 8 9.419 10.513 -2.275 56 HB3 ARG 8 3HB ARG 8 9.718 8.782 -2.196 57 HG2 ARG 8 2HG ARG 8 8.194 8.382 -4.011 58 HG3 ARG 8 3HG ARG 8 7.719 10.081 -4.033 59 HD2 ARG 8 2HD ARG 8 10.497 9.044 -4.582 60 HD3 ARG 8 3HD ARG 8 9.328 9.513 -5.816 61 HE ARG 8 HE ARG 8 9.613 11.682 -4.116 62 HH11 ARG 8 1HH1 ARG 8 12.652 11.150 -6.667 63 HH12 ARG 8 2HH1 ARG 8 11.606 9.824 -6.282 64 HH21 ARG 8 1HH2 ARG 8 12.297 13.204 -5.716 65 HH22 ARG 8 2HH2 ARG 8 10.983 13.436 -4.614 66 H PHE 9 H PHE 9 5.749 9.502 -2.827 67 HA PHE 9 HA PHE 9 5.347 12.321 -2.774 68 HB2 PHE 9 2HB PHE 9 3.852 9.972 -3.852 69 HB3 PHE 9 3HB PHE 9 2.998 11.502 -3.688 70 HD1 PHE 9 HD1 PHE 9 4.669 13.556 -4.510 71 HD2 PHE 9 HD2 PHE 9 4.570 9.563 -5.981 72 HE1 PHE 9 HE1 PHE 9 5.629 14.322 -6.642 73 HE2 PHE 9 HE2 PHE 9 5.530 10.322 -8.115 74 HZ PHE 9 HZ PHE 9 6.062 12.704 -8.448 75 H LEU 10 H LEU 10 3.614 9.599 -1.273 76 HA LEU 10 HA LEU 10 1.771 11.213 0.145 77 HB2 LEU 10 2HB LEU 10 2.091 8.522 -0.334 78 HB3 LEU 10 3HB LEU 10 2.408 8.657 1.395 79 HG LEU 10 HG LEU 10 -0.034 9.990 0.379 80 HD11 LEU 10 1HD1 LEU 10 0.501 7.120 0.049 81 HD12 LEU 10 2HD1 LEU 10 -0.677 8.159 -0.752 82 HD13 LEU 10 3HD1 LEU 10 -1.016 7.518 0.855 83 HD21 LEU 10 1HD2 LEU 10 0.465 8.226 2.772 84 HD22 LEU 10 2HD2 LEU 10 -0.917 9.287 2.494 85 HD23 LEU 10 3HD2 LEU 10 0.685 9.976 2.762 86 H GLN 11 H GLN 11 4.848 9.708 1.057 87 HA GLN 11 HA GLN 11 4.848 10.368 3.764 88 HB2 GLN 11 2HB GLN 11 6.975 9.797 1.750 89 HB3 GLN 11 3HB GLN 11 7.454 10.445 3.312 90 HG2 GLN 11 2HG GLN 11 5.591 8.293 3.666 91 HG3 GLN 11 3HG GLN 11 6.936 7.781 2.648 92 HE21 GLN 11 1HE2 GLN 11 5.891 7.938 5.732 93 HE22 GLN 11 2HE2 GLN 11 7.405 7.940 6.564 94 H THR 12 H THR 12 5.497 12.317 0.954 95 HA THR 12 HA THR 12 6.752 14.469 2.368 96 HB THR 12 HB THR 12 5.511 14.395 -0.389 97 HG1 THR 12 HG1 THR 12 7.533 13.943 -1.075 98 HG21 THR 12 1HG2 THR 12 5.576 16.647 -0.129 99 HG22 THR 12 2HG2 THR 12 7.288 16.417 -0.488 100 HG23 THR 12 3HG2 THR 12 6.750 16.568 1.184 101 H ALA 13 H ALA 13 3.555 14.109 0.823 102 HA ALA 13 HA ALA 13 2.427 16.509 1.555 103 HB1 ALA 13 1HB ALA 13 0.530 15.651 0.729 104 HB2 ALA 13 2HB ALA 13 1.527 14.257 0.311 105 HB3 ALA 13 3HB ALA 13 0.582 14.250 1.800 106 H LYS 14 H LYS 14 2.539 13.504 3.441 107 HA LYS 14 HA LYS 14 1.101 14.562 5.661 108 HB2 LYS 14 2HB LYS 14 1.121 12.186 5.337 109 HB3 LYS 14 3HB LYS 14 2.879 12.141 5.356 110 HG2 LYS 14 2HG LYS 14 2.970 12.544 7.670 111 HG3 LYS 14 3HG LYS 14 1.276 13.037 7.730 112 HD2 LYS 14 2HD LYS 14 0.534 10.804 7.345 113 HD3 LYS 14 3HD LYS 14 2.171 10.261 6.969 114 HE2 LYS 14 2HE LYS 14 1.365 11.375 9.649 115 HE3 LYS 14 3HE LYS 14 1.318 9.655 9.261 116 HZ1 LYS 14 1HZ LYS 14 3.458 9.536 9.750 117 HZ2 LYS 14 2HZ LYS 14 3.511 11.192 10.089 118 HZ3 LYS 14 3HZ LYS 14 3.825 10.639 8.521 119 H ASN 15 H ASN 15 4.551 14.017 5.013 120 HA ASN 15 HA ASN 15 5.584 14.806 7.463 121 HB2 ASN 15 2HB ASN 15 7.105 13.833 5.954 122 HB3 ASN 15 3HB ASN 15 6.677 14.953 4.663 123 HD21 ASN 15 1HD2 ASN 15 8.169 16.396 4.253 124 HD22 ASN 15 2HD2 ASN 15 9.282 17.071 5.390 125 H ILE 16 H ILE 16 4.360 16.733 4.820 126 HA ILE 16 HA ILE 16 5.444 19.221 5.634 127 HB ILE 16 HB ILE 16 2.978 18.639 3.989 128 HG12 ILE 16 2HG1 ILE 16 5.481 19.697 2.796 129 HG13 ILE 16 3HG1 ILE 16 5.513 18.020 3.327 130 HG21 ILE 16 1HG2 ILE 16 2.528 20.808 4.219 131 HG22 ILE 16 2HG2 ILE 16 4.069 21.118 5.017 132 HG23 ILE 16 3HG2 ILE 16 3.974 21.116 3.256 133 HD11 ILE 16 1HD1 ILE 16 4.565 17.455 1.415 134 HD12 ILE 16 2HD1 ILE 16 3.122 18.346 1.901 135 HD13 ILE 16 3HD1 ILE 16 4.380 19.150 0.963 136 H THR 17 H THR 17 2.203 17.803 6.067 137 HA THR 17 HA THR 17 1.277 19.920 7.735 138 HB THR 17 HB THR 17 -0.085 17.347 8.078 139 HG1 THR 17 HG1 THR 17 0.144 18.492 5.475 140 HG21 THR 17 1HG2 THR 17 -1.013 19.577 8.665 141 HG22 THR 17 2HG2 THR 17 -2.036 18.668 7.552 142 HG23 THR 17 3HG2 THR 17 -1.028 19.983 6.949 143 H GLU 18 H GLU 18 3.038 16.990 8.288 144 HA GLU 18 HA GLU 18 2.456 16.834 11.099 145 HB2 GLU 18 2HB GLU 18 3.000 14.807 9.883 146 HB3 GLU 18 3HB GLU 18 4.557 15.471 9.409 147 HG2 GLU 18 2HG GLU 18 5.239 15.513 11.767 148 HG3 GLU 18 3HG GLU 18 3.693 14.794 12.211 149 H ARG 19 H ARG 19 5.070 18.089 9.095 150 HA ARG 19 HA ARG 19 6.821 18.703 11.250 151 HB2 ARG 19 2HB ARG 19 7.406 18.443 8.770 152 HB3 ARG 19 3HB ARG 19 6.805 20.084 8.574 153 HG2 ARG 19 2HG ARG 19 8.574 20.192 10.734 154 HG3 ARG 19 3HG ARG 19 9.356 19.175 9.521 155 HD2 ARG 19 2HD ARG 19 8.955 20.931 7.836 156 HD3 ARG 19 3HD ARG 19 8.251 21.948 9.092 157 HE ARG 19 HE ARG 19 10.809 21.184 9.917 158 HH11 ARG 19 1HH1 ARG 19 10.630 24.215 7.308 159 HH12 ARG 19 2HH1 ARG 19 9.293 23.123 7.455 160 HH21 ARG 19 1HH2 ARG 19 12.497 23.925 8.603 161 HH22 ARG 19 2HH2 ARG 19 12.576 22.615 9.733 162 H VAL 20 H VAL 20 4.565 20.661 9.323 163 HA VAL 20 HA VAL 20 5.036 23.143 10.444 164 HB VAL 20 HB VAL 20 3.584 22.938 8.539 165 HG11 VAL 20 1HG1 VAL 20 1.471 21.859 8.550 166 HG12 VAL 20 2HG1 VAL 20 2.620 20.726 9.266 167 HG13 VAL 20 3HG1 VAL 20 1.518 21.637 10.299 168 HG21 VAL 20 1HG2 VAL 20 1.691 24.336 9.253 169 HG22 VAL 20 2HG2 VAL 20 2.071 23.971 10.936 170 HG23 VAL 20 3HG2 VAL 20 3.217 24.879 9.951 171 H SER 21 H SER 21 2.818 20.607 11.565 172 HA SER 21 HA SER 21 1.679 22.001 13.699 173 HB2 SER 21 2HB SER 21 1.447 19.450 12.647 174 HB3 SER 21 3HB SER 21 2.092 19.163 14.263 175 HG SER 21 HG SER 21 0.087 19.410 14.846 176 H MET 22 H MET 22 4.357 19.644 13.814 177 HA MET 22 HA MET 22 5.010 20.024 16.501 178 HB2 MET 22 2HB MET 22 6.527 19.014 14.122 179 HB3 MET 22 3HB MET 22 7.358 19.243 15.655 180 HG2 MET 22 2HG MET 22 5.346 17.834 16.583 181 HG3 MET 22 3HG MET 22 5.249 17.288 14.911 182 HE1 MET 22 1HE MET 22 7.560 17.015 13.662 183 HE2 MET 22 2HE MET 22 8.952 17.501 14.629 184 HE3 MET 22 3HE MET 22 8.700 15.799 14.239 185 H ALA 23 H ALA 23 5.907 21.831 13.643 186 HA ALA 23 HA ALA 23 8.016 23.325 14.819 187 HB1 ALA 23 1HB ALA 23 7.302 24.941 12.848 188 HB2 ALA 23 2HB ALA 23 8.161 23.430 12.548 189 HB3 ALA 23 3HB ALA 23 6.413 23.510 12.327 190 H THR 24 H THR 24 4.595 24.087 14.198 191 HA THR 24 HA THR 24 4.546 26.669 15.206 192 HB THR 24 HB THR 24 2.252 24.774 15.647 193 HG1 THR 24 HG1 THR 24 1.805 25.652 13.335 194 HG21 THR 24 1HG2 THR 24 2.069 27.116 16.432 195 HG22 THR 24 2HG2 THR 24 0.906 26.731 15.163 196 HG23 THR 24 3HG2 THR 24 2.352 27.666 14.781 197 H ALA 25 H ALA 25 4.057 23.602 16.925 198 HA ALA 25 HA ALA 25 3.530 24.752 19.452 199 HB1 ALA 25 1HB ALA 25 2.846 22.591 19.463 200 HB2 ALA 25 2HB ALA 25 4.174 22.048 18.437 201 HB3 ALA 25 3HB ALA 25 4.451 22.349 20.153 202 H SER 26 H SER 26 6.486 23.153 18.246 203 HA SER 26 HA SER 26 8.115 23.735 20.422 204 HB2 SER 26 2HB SER 26 8.897 22.149 18.826 205 HB3 SER 26 3HB SER 26 8.769 23.309 17.504 206 HG SER 26 HG SER 26 10.460 23.836 19.689 207 H SER 27 H SER 27 7.119 25.738 17.758 208 HA SER 27 HA SER 27 9.090 27.727 17.892 209 HB2 SER 27 2HB SER 27 7.850 28.111 16.028 210 HB3 SER 27 3HB SER 27 6.372 27.487 16.760 211 HG SER 27 HG SER 27 6.350 29.779 16.337 212 H GLN 28 H GLN 28 5.945 27.482 19.525 213 HA GLN 28 HA GLN 28 6.923 29.421 21.507 214 HB2 GLN 28 2HB GLN 28 4.251 29.369 20.122 215 HB3 GLN 28 3HB GLN 28 4.474 30.171 21.671 216 HG2 GLN 28 2HG GLN 28 6.429 30.896 19.607 217 HG3 GLN 28 3HG GLN 28 4.764 31.363 19.263 218 HE21 GLN 28 1HE2 GLN 28 7.560 32.382 20.605 219 HE22 GLN 28 2HE2 GLN 28 6.950 33.570 21.702 220 H VAL 29 H VAL 29 3.928 27.538 21.121 221 HA VAL 29 HA VAL 29 4.526 25.540 22.988 222 HB VAL 29 HB VAL 29 4.582 27.262 24.673 223 HG11 VAL 29 1HG1 VAL 29 3.262 28.945 23.455 224 HG12 VAL 29 2HG1 VAL 29 1.798 28.017 23.789 225 HG13 VAL 29 3HG1 VAL 29 2.709 28.737 25.117 226 HG21 VAL 29 1HG2 VAL 29 1.983 25.738 24.826 227 HG22 VAL 29 2HG2 VAL 29 3.569 25.116 25.283 228 HG23 VAL 29 3HG2 VAL 29 2.851 26.449 26.186 229 H LEU 30 H LEU 30 2.146 27.547 21.410 230 HA LEU 30 HA LEU 30 0.206 27.022 20.337 231 HB2 LEU 30 2HB LEU 30 1.675 24.729 20.153 232 HB3 LEU 30 3HB LEU 30 0.218 24.158 20.963 233 HG LEU 30 HG LEU 30 -0.868 25.571 18.925 234 HD11 LEU 30 1HD1 LEU 30 1.386 24.185 17.554 235 HD12 LEU 30 2HD1 LEU 30 1.619 25.827 18.152 236 HD13 LEU 30 3HD1 LEU 30 0.345 25.488 16.980 237 HD21 LEU 30 1HD2 LEU 30 -1.424 23.484 17.975 238 HD22 LEU 30 2HD2 LEU 30 -1.256 23.194 19.706 239 HD23 LEU 30 3HD2 LEU 30 0.037 22.720 18.603 240 H ILE 31 H ILE 31 -1.016 28.097 21.903 241 HA ILE 31 HA ILE 31 -2.722 26.344 23.474 242 HB ILE 31 HB ILE 31 -2.498 27.724 25.514 243 HG12 ILE 31 2HG1 ILE 31 0.023 28.877 25.242 244 HG13 ILE 31 3HG1 ILE 31 -0.799 29.284 23.740 245 HG21 ILE 31 1HG2 ILE 31 -1.286 25.602 25.270 246 HG22 ILE 31 2HG2 ILE 31 0.093 26.477 24.607 247 HG23 ILE 31 3HG2 ILE 31 -0.407 26.754 26.275 248 HD11 ILE 31 1HD1 ILE 31 -1.056 30.501 26.271 249 HD12 ILE 31 2HD1 ILE 31 -1.895 30.897 24.771 250 HD13 ILE 31 3HD1 ILE 31 -2.596 29.730 25.892 251 HA PRO 32 HA PRO 32 -5.839 29.195 22.272 252 HB2 PRO 32 2HB PRO 32 -7.602 28.915 24.318 253 HB3 PRO 32 3HB PRO 32 -7.363 27.676 23.080 254 HG2 PRO 32 2HG PRO 32 -6.241 27.827 25.851 255 HG3 PRO 32 3HG PRO 32 -6.916 26.431 24.992 256 HD2 PRO 32 2HD PRO 32 -4.251 26.845 25.230 257 HD3 PRO 32 3HD PRO 32 -4.972 26.057 23.812 258 H GLU 33 H GLU 33 -6.458 31.302 22.554 259 HA GLU 33 HA GLU 33 -5.961 32.629 25.097 260 HB2 GLU 33 2HB GLU 33 -4.128 32.792 22.921 261 HB3 GLU 33 3HB GLU 33 -4.917 34.355 23.084 262 HG2 GLU 33 2HG GLU 33 -3.759 32.963 25.464 263 HG3 GLU 33 3HG GLU 33 -2.746 33.918 24.383 264 H ILE 34 H ILE 34 -6.892 33.105 21.697 265 HA ILE 34 HA ILE 34 -9.441 34.156 22.404 266 HB ILE 34 HB ILE 34 -8.199 36.162 22.936 267 HG12 ILE 34 2HG1 ILE 34 -9.209 37.045 20.324 268 HG13 ILE 34 3HG1 ILE 34 -10.335 36.025 21.213 269 HG21 ILE 34 1HG2 ILE 34 -6.226 35.596 21.511 270 HG22 ILE 34 2HG2 ILE 34 -7.149 36.144 20.113 271 HG23 ILE 34 3HG2 ILE 34 -6.746 37.277 21.403 272 HD11 ILE 34 1HD1 ILE 34 -10.976 37.918 22.191 273 HD12 ILE 34 2HD1 ILE 34 -9.491 37.775 23.133 274 HD13 ILE 34 3HD1 ILE 34 -9.523 38.780 21.684 275 H ASN 35 H ASN 35 -6.913 33.867 19.961 276 HA ASN 35 HA ASN 35 -8.940 33.002 18.041 277 HB2 ASN 35 2HB ASN 35 -7.946 35.558 17.906 278 HB3 ASN 35 3HB ASN 35 -6.864 34.686 16.823 279 HD21 ASN 35 1HD2 ASN 35 -10.327 34.423 17.550 280 HD22 ASN 35 2HD2 ASN 35 -10.855 34.581 15.913 281 H LEU 36 H LEU 36 -7.088 31.476 19.527 282 HA LEU 36 HA LEU 36 -4.737 30.899 18.054 283 HB2 LEU 36 2HB LEU 36 -4.986 30.338 20.415 284 HB3 LEU 36 3HB LEU 36 -6.267 29.195 20.016 285 HG LEU 36 HG LEU 36 -3.910 28.294 20.530 286 HD11 LEU 36 1HD1 LEU 36 -4.486 26.393 19.451 287 HD12 LEU 36 2HD1 LEU 36 -4.802 27.221 17.927 288 HD13 LEU 36 3HD1 LEU 36 -6.002 27.264 19.218 289 HD21 LEU 36 1HD2 LEU 36 -2.263 28.399 18.921 290 HD22 LEU 36 2HD2 LEU 36 -2.957 30.018 18.825 291 HD23 LEU 36 3HD2 LEU 36 -3.399 28.796 17.631 292 H ASN 37 H ASN 37 -7.874 29.227 18.273 293 HA ASN 37 HA ASN 37 -7.326 27.174 16.467 294 HB2 ASN 37 2HB ASN 37 -9.480 27.891 18.002 295 HB3 ASN 37 3HB ASN 37 -10.083 28.191 16.375 296 HD21 ASN 37 1HD2 ASN 37 -9.659 25.910 18.752 297 HD22 ASN 37 2HD2 ASN 37 -9.901 24.485 17.806 298 H ASP 38 H ASP 38 -7.859 30.515 15.922 299 HA ASP 38 HA ASP 38 -8.666 30.227 13.164 300 HB2 ASP 38 2HB ASP 38 -8.681 32.312 15.101 301 HB3 ASP 38 3HB ASP 38 -7.734 32.868 13.723 302 H THR 39 H THR 39 -5.823 31.641 14.791 303 HA THR 39 HA THR 39 -4.271 32.063 12.528 304 HB THR 39 HB THR 39 -2.699 31.188 14.836 305 HG1 THR 39 HG1 THR 39 -3.757 32.223 16.343 306 HG21 THR 39 1HG2 THR 39 -1.641 32.541 13.214 307 HG22 THR 39 2HG2 THR 39 -1.908 33.598 14.600 308 HG23 THR 39 3HG2 THR 39 -2.971 33.698 13.197 309 H PHE 40 H PHE 40 -4.271 29.240 14.701 310 HA PHE 40 HA PHE 40 -2.349 27.748 13.319 311 HB2 PHE 40 2HB PHE 40 -3.394 27.336 15.645 312 HB3 PHE 40 3HB PHE 40 -4.660 26.481 14.770 313 HD1 PHE 40 HD1 PHE 40 -0.958 26.605 14.346 314 HD2 PHE 40 HD2 PHE 40 -4.403 24.224 15.101 315 HE1 PHE 40 HE1 PHE 40 0.440 24.580 14.315 316 HE2 PHE 40 HE2 PHE 40 -3.012 22.195 15.072 317 HZ PHE 40 HZ PHE 40 -0.587 22.372 14.679 318 H ASP 41 H ASP 41 -5.849 27.952 12.925 319 HA ASP 41 HA ASP 41 -6.205 25.849 11.123 320 HB2 ASP 41 2HB ASP 41 -7.713 28.259 11.908 321 HB3 ASP 41 3HB ASP 41 -8.085 27.639 10.302 322 H THR 42 H THR 42 -5.942 29.323 10.343 323 HA THR 42 HA THR 42 -5.745 29.018 7.577 324 HB THR 42 HB THR 42 -5.954 31.172 9.138 325 HG1 THR 42 HG1 THR 42 -6.368 31.660 7.106 326 HG21 THR 42 1HG2 THR 42 -3.486 30.823 9.786 327 HG22 THR 42 2HG2 THR 42 -4.002 32.448 9.334 328 HG23 THR 42 3HG2 THR 42 -3.122 31.449 8.178 329 H PHE 43 H PHE 43 -3.392 28.536 10.065 330 HA PHE 43 HA PHE 43 -1.090 28.744 8.371 331 HB2 PHE 43 2HB PHE 43 -1.121 29.066 10.891 332 HB3 PHE 43 3HB PHE 43 -1.251 27.315 11.025 333 HD1 PHE 43 HD1 PHE 43 0.769 26.686 11.986 334 HD2 PHE 43 HD2 PHE 43 0.769 29.309 8.633 335 HE1 PHE 43 HE1 PHE 43 3.218 26.493 11.839 336 HE2 PHE 43 HE2 PHE 43 3.217 29.119 8.481 337 HZ PHE 43 HZ PHE 43 4.445 27.710 10.084 338 H ALA 44 H ALA 44 -2.772 26.002 9.905 339 HA ALA 44 HA ALA 44 -1.246 24.016 8.576 340 HB1 ALA 44 1HB ALA 44 -2.893 22.442 9.424 341 HB2 ALA 44 2HB ALA 44 -2.433 23.594 10.679 342 HB3 ALA 44 3HB ALA 44 -3.974 23.773 9.840 343 H LEU 45 H LEU 45 -4.504 25.322 7.999 344 HA LEU 45 HA LEU 45 -5.321 23.761 5.902 345 HB2 LEU 45 2HB LEU 45 -6.930 25.241 6.555 346 HB3 LEU 45 3HB LEU 45 -5.796 26.585 6.678 347 HG LEU 45 HG LEU 45 -5.824 26.876 4.276 348 HD11 LEU 45 1HD1 LEU 45 -7.800 25.426 3.184 349 HD12 LEU 45 2HD1 LEU 45 -7.196 24.266 4.366 350 HD13 LEU 45 3HD1 LEU 45 -6.105 24.939 3.154 351 HD21 LEU 45 1HD2 LEU 45 -7.651 27.812 5.815 352 HD22 LEU 45 2HD2 LEU 45 -8.696 26.586 5.095 353 HD23 LEU 45 3HD2 LEU 45 -7.950 27.819 4.076 354 H ASP 46 H ASP 46 -3.653 26.894 5.522 355 HA ASP 46 HA ASP 46 -3.262 26.880 2.814 356 HB2 ASP 46 2HB ASP 46 -2.407 28.460 4.879 357 HB3 ASP 46 3HB ASP 46 -0.890 27.773 4.306 358 H PHE 47 H PHE 47 -1.126 25.425 5.256 359 HA PHE 47 HA PHE 47 0.838 24.463 3.532 360 HB2 PHE 47 2HB PHE 47 0.045 24.033 6.294 361 HB3 PHE 47 3HB PHE 47 0.655 22.556 5.557 362 HD1 PHE 47 HD1 PHE 47 2.830 23.119 3.979 363 HD2 PHE 47 HD2 PHE 47 1.601 25.214 7.475 364 HE1 PHE 47 HE1 PHE 47 5.138 23.904 4.317 365 HE2 PHE 47 HE2 PHE 47 3.906 26.003 7.817 366 HZ PHE 47 HZ PHE 47 5.678 25.348 6.237 367 H SER 48 H SER 48 -2.106 22.858 4.708 368 HA SER 48 HA SER 48 -1.775 20.378 3.537 369 HB2 SER 48 2HB SER 48 -3.629 20.406 4.893 370 HB3 SER 48 3HB SER 48 -4.138 22.004 4.345 371 HG SER 48 HG SER 48 -5.547 20.451 3.534 372 H ARG 49 H ARG 49 -3.237 23.291 2.127 373 HA ARG 49 HA ARG 49 -4.103 22.316 -0.286 374 HB2 ARG 49 2HB ARG 49 -4.158 24.726 0.704 375 HB3 ARG 49 3HB ARG 49 -2.650 24.937 -0.176 376 HG2 ARG 49 2HG ARG 49 -4.451 23.777 -1.987 377 HG3 ARG 49 3HG ARG 49 -5.341 25.043 -1.138 378 HD2 ARG 49 2HD ARG 49 -3.045 26.347 -1.614 379 HD3 ARG 49 3HD ARG 49 -3.044 25.242 -2.987 380 HE ARG 49 HE ARG 49 -5.570 26.389 -2.858 381 HH11 ARG 49 1HH1 ARG 49 -2.716 28.744 -4.386 382 HH12 ARG 49 2HH1 ARG 49 -2.281 27.404 -3.379 383 HH21 ARG 49 1HH2 ARG 49 -4.921 29.169 -4.842 384 HH22 ARG 49 2HH2 ARG 49 -6.156 28.151 -4.183 385 H GLU 50 H GLU 50 -0.819 23.338 0.572 386 HA GLU 50 HA GLU 50 0.247 22.804 -2.030 387 HB2 GLU 50 2HB GLU 50 1.122 24.151 0.244 388 HB3 GLU 50 3HB GLU 50 2.207 22.774 0.115 389 HG2 GLU 50 2HG GLU 50 1.830 24.009 -2.454 390 HG3 GLU 50 3HG GLU 50 2.359 25.192 -1.260 391 H LYS 51 H LYS 51 -0.205 20.981 0.898 392 HA LYS 51 HA LYS 51 1.635 18.910 0.459 393 HB2 LYS 51 2HB LYS 51 0.791 18.096 2.370 394 HB3 LYS 51 3HB LYS 51 -0.227 19.530 2.402 395 HG2 LYS 51 2HG LYS 51 -1.903 18.189 1.048 396 HG3 LYS 51 3HG LYS 51 -0.925 16.774 1.443 397 HD2 LYS 51 2HD LYS 51 -1.715 16.688 3.536 398 HD3 LYS 51 3HD LYS 51 -1.521 18.427 3.768 399 HE2 LYS 51 2HE LYS 51 -3.764 18.459 3.793 400 HE3 LYS 51 3HE LYS 51 -3.622 18.339 2.040 401 HZ1 LYS 51 1HZ LYS 51 -3.670 15.891 3.673 402 HZ2 LYS 51 2HZ LYS 51 -4.139 16.112 2.063 403 HZ3 LYS 51 3HZ LYS 51 -5.120 16.686 3.316 404 H LYS 52 H LYS 52 -1.571 19.490 -0.817 405 HA LYS 52 HA LYS 52 -1.818 16.863 -1.977 406 HB2 LYS 52 2HB LYS 52 -3.443 19.388 -2.308 407 HB3 LYS 52 3HB LYS 52 -3.838 17.862 -3.088 408 HG2 LYS 52 2HG LYS 52 -4.542 16.891 -1.152 409 HG3 LYS 52 3HG LYS 52 -3.468 17.863 -0.143 410 HD2 LYS 52 2HD LYS 52 -5.726 18.559 0.266 411 HD3 LYS 52 3HD LYS 52 -4.905 19.838 -0.631 412 HE2 LYS 52 2HE LYS 52 -6.273 17.828 -2.284 413 HE3 LYS 52 3HE LYS 52 -7.333 18.815 -1.279 414 HZ1 LYS 52 1HZ LYS 52 -5.996 19.514 -3.670 415 HZ2 LYS 52 2HZ LYS 52 -5.506 20.547 -2.423 416 HZ3 LYS 52 3HZ LYS 52 -7.148 20.396 -2.799 417 H LEU 53 H LEU 53 -1.454 20.157 -3.295 418 HA LEU 53 HA LEU 53 -1.220 19.540 -5.968 419 HB2 LEU 53 2HB LEU 53 -0.747 21.782 -4.319 420 HB3 LEU 53 3HB LEU 53 0.680 21.579 -5.331 421 HG LEU 53 HG LEU 53 -2.077 21.649 -6.517 422 HD11 LEU 53 1HD1 LEU 53 -1.214 23.710 -5.016 423 HD12 LEU 53 2HD1 LEU 53 -2.221 23.895 -6.452 424 HD13 LEU 53 3HD1 LEU 53 -0.475 24.120 -6.564 425 HD21 LEU 53 1HD2 LEU 53 0.253 22.776 -7.904 426 HD22 LEU 53 2HD2 LEU 53 -1.028 21.722 -8.502 427 HD23 LEU 53 3HD2 LEU 53 0.330 21.039 -7.606 428 H LEU 54 H LEU 54 1.071 19.034 -3.414 429 HA LEU 54 HA LEU 54 3.359 18.679 -5.092 430 HB2 LEU 54 2HB LEU 54 3.665 19.305 -2.795 431 HB3 LEU 54 3HB LEU 54 2.792 17.877 -2.244 432 HG LEU 54 HG LEU 54 5.383 17.953 -2.088 433 HD11 LEU 54 1HD1 LEU 54 3.735 15.998 -1.782 434 HD12 LEU 54 2HD1 LEU 54 5.435 15.631 -2.069 435 HD13 LEU 54 3HD1 LEU 54 4.270 15.494 -3.385 436 HD21 LEU 54 1HD2 LEU 54 5.280 16.793 -4.830 437 HD22 LEU 54 2HD2 LEU 54 6.634 17.512 -3.957 438 HD23 LEU 54 3HD2 LEU 54 5.380 18.545 -4.647 439 H GLU 55 H GLU 55 1.446 16.355 -3.170 440 HA GLU 55 HA GLU 55 2.582 14.031 -4.166 441 HB2 GLU 55 2HB GLU 55 0.965 14.256 -2.231 442 HB3 GLU 55 3HB GLU 55 -0.328 14.318 -3.420 443 HG2 GLU 55 2HG GLU 55 0.934 12.081 -4.216 444 HG3 GLU 55 3HG GLU 55 1.287 12.042 -2.490 445 H CYS 56 H CYS 56 -0.297 15.758 -5.341 446 HA CYS 56 HA CYS 56 0.221 14.866 -8.033 447 HB2 CYS 56 2HB CYS 56 -1.532 13.346 -6.406 448 HB3 CYS 56 3HB CYS 56 -2.532 14.224 -7.557 449 HG CYS 56 HG CYS 56 0.110 12.806 -9.002 450 H LEU 57 H LEU 57 0.133 16.808 -8.971 451 HA LEU 57 HA LEU 57 -1.270 19.037 -8.146 452 HB2 LEU 57 2HB LEU 57 -0.931 19.928 -10.372 453 HB3 LEU 57 3HB LEU 57 0.513 19.087 -9.812 454 HG LEU 57 HG LEU 57 -1.339 17.485 -11.456 455 HD11 LEU 57 1HD1 LEU 57 0.159 19.849 -12.561 456 HD12 LEU 57 2HD1 LEU 57 -1.563 19.494 -12.699 457 HD13 LEU 57 3HD1 LEU 57 -0.386 18.492 -13.547 458 HD21 LEU 57 1HD2 LEU 57 1.448 17.703 -12.245 459 HD22 LEU 57 2HD2 LEU 57 0.509 16.282 -11.785 460 HD23 LEU 57 3HD2 LEU 57 1.258 17.286 -10.542 461 H ASP 58 H ASP 58 -3.076 20.141 -9.315 462 HA ASP 58 HA ASP 58 -5.037 18.358 -10.522 463 HB2 ASP 58 2HB ASP 58 -5.414 19.759 -7.889 464 HB3 ASP 58 3HB ASP 58 -6.794 19.399 -8.923 465 H TYR 59 H TYR 59 -5.242 21.583 -9.035 466 HA TYR 59 HA TYR 59 -5.422 22.815 -11.668 467 HB2 TYR 59 2HB TYR 59 -7.735 22.253 -11.225 468 HB3 TYR 59 3HB TYR 59 -7.640 22.965 -9.618 469 HD1 TYR 59 HD1 TYR 59 -7.736 25.361 -9.310 470 HD2 TYR 59 HD2 TYR 59 -7.847 23.669 -13.213 471 HE1 TYR 59 HE1 TYR 59 -8.477 27.522 -10.219 472 HE2 TYR 59 HE2 TYR 59 -8.587 25.827 -14.133 473 HH TYR 59 HH TYR 59 -9.374 28.544 -12.041 474 H LEU 60 H LEU 60 -4.965 25.022 -11.681 475 HA LEU 60 HA LEU 60 -3.668 25.988 -9.241 476 HB2 LEU 60 2HB LEU 60 -3.139 26.205 -12.062 477 HB3 LEU 60 3HB LEU 60 -3.226 27.804 -11.327 478 HG LEU 60 HG LEU 60 -1.468 25.625 -10.227 479 HD11 LEU 60 1HD1 LEU 60 -1.112 27.274 -12.628 480 HD12 LEU 60 2HD1 LEU 60 -0.332 25.765 -12.157 481 HD13 LEU 60 3HD1 LEU 60 0.242 27.297 -11.498 482 HD21 LEU 60 1HD2 LEU 60 -0.943 28.550 -10.041 483 HD22 LEU 60 2HD2 LEU 60 -0.526 27.253 -8.920 484 HD23 LEU 60 3HD2 LEU 60 -2.187 27.843 -9.009 Start of MODEL 10 1 H LEU 1 H LEU 1 8.534 3.680 6.052 2 HA LEU 1 HA LEU 1 10.670 1.765 5.756 3 HB2 LEU 1 2HB LEU 1 9.264 -0.205 6.082 4 HB3 LEU 1 3HB LEU 1 9.424 0.741 7.561 5 HG LEU 1 HG LEU 1 7.063 1.548 6.143 6 HD11 LEU 1 1HD1 LEU 1 7.506 -0.971 5.431 7 HD12 LEU 1 2HD1 LEU 1 5.889 -0.363 5.788 8 HD13 LEU 1 3HD1 LEU 1 6.778 -1.272 7.010 9 HD21 LEU 1 1HD2 LEU 1 7.900 1.426 8.701 10 HD22 LEU 1 2HD2 LEU 1 6.865 -0.001 8.642 11 HD23 LEU 1 3HD2 LEU 1 6.208 1.583 8.228 12 H LYS 2 H LYS 2 9.821 3.656 3.987 13 HA LYS 2 HA LYS 2 8.893 1.995 1.791 14 HB2 LYS 2 2HB LYS 2 7.505 4.597 2.456 15 HB3 LYS 2 3HB LYS 2 7.149 3.540 1.096 16 HG2 LYS 2 2HG LYS 2 6.432 1.790 2.645 17 HG3 LYS 2 3HG LYS 2 6.784 2.855 4.007 18 HD2 LYS 2 2HD LYS 2 4.811 3.867 3.802 19 HD3 LYS 2 3HD LYS 2 5.096 4.187 2.090 20 HE2 LYS 2 2HE LYS 2 4.532 1.579 1.945 21 HE3 LYS 2 3HE LYS 2 3.617 1.977 3.399 22 HZ1 LYS 2 1HZ LYS 2 3.307 3.761 1.114 23 HZ2 LYS 2 2HZ LYS 2 2.162 3.245 2.248 24 HZ3 LYS 2 3HZ LYS 2 2.613 2.224 0.976 25 H GLU 3 H GLU 3 9.653 2.645 -0.192 26 HA GLU 3 HA GLU 3 10.825 5.249 -0.570 27 HB2 GLU 3 2HB GLU 3 12.483 2.880 0.033 28 HB3 GLU 3 3HB GLU 3 13.005 3.837 -1.346 29 HG2 GLU 3 2HG GLU 3 12.614 5.806 0.417 30 HG3 GLU 3 3HG GLU 3 13.001 4.495 1.530 31 H ASN 4 H ASN 4 9.324 5.344 -2.269 32 HA ASN 4 HA ASN 4 10.251 4.083 -4.714 33 HB2 ASN 4 2HB ASN 4 7.347 3.828 -3.920 34 HB3 ASN 4 3HB ASN 4 8.142 3.119 -5.323 35 HD21 ASN 4 1HD2 ASN 4 9.467 1.325 -5.056 36 HD22 ASN 4 2HD2 ASN 4 9.426 0.361 -3.622 37 H ASP 5 H ASP 5 8.335 4.792 -6.461 38 HA ASP 5 HA ASP 5 8.771 7.513 -6.885 39 HB2 ASP 5 2HB ASP 5 7.764 5.490 -8.388 40 HB3 ASP 5 3HB ASP 5 6.294 6.399 -8.049 41 H HIS 6 H HIS 6 5.636 6.008 -6.077 42 HA HIS 6 HA HIS 6 4.438 8.482 -5.362 43 HB2 HIS 6 2HB HIS 6 3.333 6.241 -6.104 44 HB3 HIS 6 3HB HIS 6 3.416 5.830 -4.394 45 HD1 HIS 6 HD1 HIS 6 0.695 5.835 -4.884 46 HD2 HIS 6 HD2 HIS 6 2.632 9.504 -4.667 47 HE1 HIS 6 HE1 HIS 6 -1.116 7.528 -4.463 48 H ALA 7 H ALA 7 5.815 5.811 -3.486 49 HA ALA 7 HA ALA 7 5.139 6.610 -0.929 50 HB1 ALA 7 1HB ALA 7 7.356 5.019 -2.091 51 HB2 ALA 7 2HB ALA 7 7.521 5.553 -0.417 52 HB3 ALA 7 3HB ALA 7 6.139 4.568 -0.896 53 H ARG 8 H ARG 8 7.601 7.877 -3.068 54 HA ARG 8 HA ARG 8 8.937 9.419 -1.056 55 HB2 ARG 8 2HB ARG 8 10.179 8.741 -3.006 56 HB3 ARG 8 3HB ARG 8 9.019 9.519 -4.073 57 HG2 ARG 8 2HG ARG 8 9.953 11.540 -3.822 58 HG3 ARG 8 3HG ARG 8 10.246 11.303 -2.098 59 HD2 ARG 8 2HD ARG 8 11.871 9.685 -3.969 60 HD3 ARG 8 3HD ARG 8 12.208 11.415 -3.915 61 HE ARG 8 HE ARG 8 12.103 10.489 -1.289 62 HH11 ARG 8 1HH1 ARG 8 15.505 9.726 -3.258 63 HH12 ARG 8 2HH1 ARG 8 14.054 10.068 -4.142 64 HH21 ARG 8 1HH2 ARG 8 15.476 9.709 -0.967 65 HH22 ARG 8 2HH2 ARG 8 14.006 10.040 -0.115 66 H PHE 9 H PHE 9 6.716 10.216 -3.722 67 HA PHE 9 HA PHE 9 6.531 12.957 -3.233 68 HB2 PHE 9 2HB PHE 9 5.254 11.049 -4.921 69 HB3 PHE 9 3HB PHE 9 4.001 12.018 -4.154 70 HD1 PHE 9 HD1 PHE 9 3.276 13.768 -5.430 71 HD2 PHE 9 HD2 PHE 9 7.380 12.658 -5.614 72 HE1 PHE 9 HE1 PHE 9 3.690 15.580 -7.042 73 HE2 PHE 9 HE2 PHE 9 7.801 14.468 -7.226 74 HZ PHE 9 HZ PHE 9 5.955 15.932 -7.942 75 H LEU 10 H LEU 10 4.780 10.247 -1.827 76 HA LEU 10 HA LEU 10 2.854 11.794 -0.435 77 HB2 LEU 10 2HB LEU 10 3.366 9.087 -0.858 78 HB3 LEU 10 3HB LEU 10 3.513 9.308 0.884 79 HG LEU 10 HG LEU 10 1.128 10.582 -0.155 80 HD11 LEU 10 1HD1 LEU 10 0.163 8.072 -0.346 81 HD12 LEU 10 2HD1 LEU 10 1.758 7.856 -1.066 82 HD13 LEU 10 3HD1 LEU 10 0.645 9.051 -1.732 83 HD21 LEU 10 1HD2 LEU 10 0.097 9.180 1.614 84 HD22 LEU 10 2HD2 LEU 10 1.453 10.152 2.187 85 HD23 LEU 10 3HD2 LEU 10 1.669 8.428 1.884 86 H GLN 11 H GLN 11 5.914 10.295 0.583 87 HA GLN 11 HA GLN 11 5.887 11.014 3.255 88 HB2 GLN 11 2HB GLN 11 7.563 9.528 2.142 89 HB3 GLN 11 3HB GLN 11 8.328 10.964 1.475 90 HG2 GLN 11 2HG GLN 11 8.594 11.761 3.863 91 HG3 GLN 11 3HG GLN 11 8.135 10.130 4.351 92 HE21 GLN 11 1HE2 GLN 11 10.541 12.074 2.745 93 HE22 GLN 11 2HE2 GLN 11 11.809 10.902 2.795 94 H THR 12 H THR 12 6.479 12.967 0.444 95 HA THR 12 HA THR 12 7.685 15.157 1.845 96 HB THR 12 HB THR 12 6.529 14.895 -0.927 97 HG1 THR 12 HG1 THR 12 8.673 14.006 -0.253 98 HG21 THR 12 1HG2 THR 12 7.823 17.188 -1.150 99 HG22 THR 12 2HG2 THR 12 7.405 17.325 0.558 100 HG23 THR 12 3HG2 THR 12 6.134 17.138 -0.650 101 H ALA 13 H ALA 13 4.521 14.801 0.227 102 HA ALA 13 HA ALA 13 3.356 17.155 1.051 103 HB1 ALA 13 1HB ALA 13 1.282 15.298 1.131 104 HB2 ALA 13 2HB ALA 13 1.797 16.260 -0.255 105 HB3 ALA 13 3HB ALA 13 2.444 14.636 -0.019 106 H LYS 14 H LYS 14 3.700 14.136 2.827 107 HA LYS 14 HA LYS 14 2.054 14.954 5.023 108 HB2 LYS 14 2HB LYS 14 2.634 12.557 4.286 109 HB3 LYS 14 3HB LYS 14 4.156 12.801 5.133 110 HG2 LYS 14 2HG LYS 14 3.060 11.961 6.889 111 HG3 LYS 14 3HG LYS 14 2.372 13.581 7.024 112 HD2 LYS 14 2HD LYS 14 0.465 12.862 5.641 113 HD3 LYS 14 3HD LYS 14 1.148 11.236 5.568 114 HE2 LYS 14 2HE LYS 14 0.522 10.739 7.681 115 HE3 LYS 14 3HE LYS 14 0.830 12.372 8.269 116 HZ1 LYS 14 1HZ LYS 14 -1.242 13.054 7.109 117 HZ2 LYS 14 2HZ LYS 14 -1.495 11.972 8.384 118 HZ3 LYS 14 3HZ LYS 14 -1.557 11.423 6.785 119 H ASN 15 H ASN 15 5.555 14.732 4.471 120 HA ASN 15 HA ASN 15 6.398 15.544 7.006 121 HB2 ASN 15 2HB ASN 15 8.035 14.628 5.561 122 HB3 ASN 15 3HB ASN 15 7.664 15.779 4.281 123 HD21 ASN 15 1HD2 ASN 15 9.041 15.457 7.499 124 HD22 ASN 15 2HD2 ASN 15 10.083 16.831 7.390 125 H ILE 16 H ILE 16 4.968 17.336 4.445 126 HA ILE 16 HA ILE 16 5.958 19.910 5.206 127 HB ILE 16 HB ILE 16 3.592 19.136 3.498 128 HG12 ILE 16 2HG1 ILE 16 6.099 20.401 2.474 129 HG13 ILE 16 3HG1 ILE 16 6.117 18.683 2.859 130 HG21 ILE 16 1HG2 ILE 16 3.127 21.306 4.315 131 HG22 ILE 16 2HG2 ILE 16 4.798 21.823 4.101 132 HG23 ILE 16 3HG2 ILE 16 3.782 21.522 2.692 133 HD11 ILE 16 1HD1 ILE 16 5.248 18.264 0.875 134 HD12 ILE 16 2HD1 ILE 16 3.800 19.162 1.332 135 HD13 ILE 16 3HD1 ILE 16 5.136 19.990 0.534 136 H THR 17 H THR 17 2.757 18.364 5.509 137 HA THR 17 HA THR 17 1.753 20.411 7.234 138 HB THR 17 HB THR 17 0.457 17.732 7.193 139 HG1 THR 17 HG1 THR 17 0.995 19.292 4.933 140 HG21 THR 17 1HG2 THR 17 -0.524 19.703 8.345 141 HG22 THR 17 2HG2 THR 17 -1.563 19.052 7.077 142 HG23 THR 17 3HG2 THR 17 -0.630 20.519 6.786 143 H GLU 18 H GLU 18 3.514 17.479 7.692 144 HA GLU 18 HA GLU 18 2.782 17.126 10.452 145 HB2 GLU 18 2HB GLU 18 3.397 15.166 9.218 146 HB3 GLU 18 3HB GLU 18 4.925 15.884 8.729 147 HG2 GLU 18 2HG GLU 18 5.881 15.595 10.813 148 HG3 GLU 18 3HG GLU 18 4.321 15.467 11.623 149 H ARG 19 H ARG 19 5.483 18.532 8.674 150 HA ARG 19 HA ARG 19 7.110 19.020 10.955 151 HB2 ARG 19 2HB ARG 19 7.992 18.902 8.644 152 HB3 ARG 19 3HB ARG 19 7.147 20.396 8.263 153 HG2 ARG 19 2HG ARG 19 8.518 21.310 10.311 154 HG3 ARG 19 3HG ARG 19 9.579 19.957 9.913 155 HD2 ARG 19 2HD ARG 19 9.383 20.882 7.484 156 HD3 ARG 19 3HD ARG 19 8.888 22.370 8.290 157 HE ARG 19 HE ARG 19 11.294 21.311 9.393 158 HH11 ARG 19 1HH1 ARG 19 11.482 23.983 6.417 159 HH12 ARG 19 2HH1 ARG 19 10.003 23.134 6.723 160 HH21 ARG 19 1HH2 ARG 19 13.327 23.576 7.713 161 HH22 ARG 19 2HH2 ARG 19 13.247 22.422 9.000 162 H VAL 20 H VAL 20 4.904 21.058 9.059 163 HA VAL 20 HA VAL 20 5.295 23.472 10.368 164 HB VAL 20 HB VAL 20 3.967 23.379 8.360 165 HG11 VAL 20 1HG1 VAL 20 1.860 22.304 8.180 166 HG12 VAL 20 2HG1 VAL 20 2.966 21.129 8.893 167 HG13 VAL 20 3HG1 VAL 20 1.802 21.978 9.912 168 HG21 VAL 20 1HG2 VAL 20 2.033 24.735 9.044 169 HG22 VAL 20 2HG2 VAL 20 2.310 24.266 10.721 170 HG23 VAL 20 3HG2 VAL 20 3.513 25.230 9.865 171 H SER 21 H SER 21 3.053 20.839 11.170 172 HA SER 21 HA SER 21 1.760 22.072 13.317 173 HB2 SER 21 2HB SER 21 0.881 20.030 12.372 174 HB3 SER 21 3HB SER 21 2.343 19.145 12.811 175 HG SER 21 HG SER 21 1.671 19.006 14.819 176 H MET 22 H MET 22 4.449 19.727 13.444 177 HA MET 22 HA MET 22 4.929 19.935 16.187 178 HB2 MET 22 2HB MET 22 5.844 18.222 14.517 179 HB3 MET 22 3HB MET 22 7.087 19.411 14.152 180 HG2 MET 22 2HG MET 22 7.843 19.377 16.446 181 HG3 MET 22 3HG MET 22 6.546 18.266 16.881 182 HE1 MET 22 1HE MET 22 8.750 17.646 13.392 183 HE2 MET 22 2HE MET 22 9.320 18.930 14.458 184 HE3 MET 22 3HE MET 22 10.227 17.422 14.329 185 H ALA 23 H ALA 23 6.036 21.900 13.502 186 HA ALA 23 HA ALA 23 8.034 23.331 14.918 187 HB1 ALA 23 1HB ALA 23 7.908 23.193 12.450 188 HB2 ALA 23 2HB ALA 23 6.483 24.232 12.495 189 HB3 ALA 23 3HB ALA 23 8.041 24.847 13.047 190 H THR 24 H THR 24 4.801 24.402 13.844 191 HA THR 24 HA THR 24 4.733 26.802 15.229 192 HB THR 24 HB THR 24 2.238 25.162 14.925 193 HG1 THR 24 HG1 THR 24 2.780 24.916 12.888 194 HG21 THR 24 1HG2 THR 24 2.982 28.025 15.073 195 HG22 THR 24 2HG2 THR 24 1.555 27.190 15.689 196 HG23 THR 24 3HG2 THR 24 1.665 27.604 13.978 197 H ALA 25 H ALA 25 3.768 23.571 16.305 198 HA ALA 25 HA ALA 25 2.710 24.360 18.802 199 HB1 ALA 25 1HB ALA 25 2.683 22.058 19.365 200 HB2 ALA 25 2HB ALA 25 2.341 22.157 17.637 201 HB3 ALA 25 3HB ALA 25 3.947 21.686 18.192 202 H SER 26 H SER 26 5.835 22.803 18.052 203 HA SER 26 HA SER 26 6.935 23.028 20.604 204 HB2 SER 26 2HB SER 26 7.818 21.672 18.638 205 HB3 SER 26 3HB SER 26 8.541 23.168 18.050 206 HG SER 26 HG SER 26 9.198 21.621 20.281 207 H SER 27 H SER 27 6.607 25.372 18.063 208 HA SER 27 HA SER 27 8.571 27.214 18.846 209 HB2 SER 27 2HB SER 27 6.091 27.319 17.209 210 HB3 SER 27 3HB SER 27 6.730 28.857 17.789 211 HG SER 27 HG SER 27 7.842 28.586 15.974 212 H GLN 28 H GLN 28 5.153 26.946 19.767 213 HA GLN 28 HA GLN 28 5.726 28.718 22.050 214 HB2 GLN 28 2HB GLN 28 3.381 28.648 20.191 215 HB3 GLN 28 3HB GLN 28 3.152 29.177 21.852 216 HG2 GLN 28 2HG GLN 28 5.356 30.605 21.048 217 HG3 GLN 28 3HG GLN 28 4.354 30.560 19.598 218 HE21 GLN 28 1HE2 GLN 28 1.928 30.926 20.175 219 HE22 GLN 28 2HE2 GLN 28 1.627 32.300 21.179 220 H VAL 29 H VAL 29 2.915 26.737 21.157 221 HA VAL 29 HA VAL 29 3.385 24.604 22.900 222 HB VAL 29 HB VAL 29 3.210 26.130 24.740 223 HG11 VAL 29 1HG1 VAL 29 0.582 27.011 23.549 224 HG12 VAL 29 2HG1 VAL 29 1.234 27.535 25.102 225 HG13 VAL 29 3HG1 VAL 29 2.068 27.958 23.607 226 HG21 VAL 29 1HG2 VAL 29 2.121 23.936 24.987 227 HG22 VAL 29 2HG2 VAL 29 1.344 25.180 25.966 228 HG23 VAL 29 3HG2 VAL 29 0.596 24.649 24.460 229 H LEU 30 H LEU 30 1.059 26.704 21.335 230 HA LEU 30 HA LEU 30 -0.786 26.258 20.079 231 HB2 LEU 30 2HB LEU 30 0.829 24.294 19.410 232 HB3 LEU 30 3HB LEU 30 -0.341 23.318 20.296 233 HG LEU 30 HG LEU 30 -1.895 24.845 18.575 234 HD11 LEU 30 1HD1 LEU 30 0.662 24.970 17.543 235 HD12 LEU 30 2HD1 LEU 30 -0.838 25.240 16.657 236 HD13 LEU 30 3HD1 LEU 30 -0.086 23.645 16.651 237 HD21 LEU 30 1HD2 LEU 30 -2.406 22.755 17.549 238 HD22 LEU 30 2HD2 LEU 30 -2.115 22.448 19.261 239 HD23 LEU 30 3HD2 LEU 30 -0.873 22.056 18.071 240 H ILE 31 H ILE 31 -2.028 26.980 21.902 241 HA ILE 31 HA ILE 31 -3.871 24.944 22.821 242 HB ILE 31 HB ILE 31 -3.679 25.808 25.215 243 HG12 ILE 31 2HG1 ILE 31 -0.827 26.333 24.891 244 HG13 ILE 31 3HG1 ILE 31 -1.827 27.525 24.068 245 HG21 ILE 31 1HG2 ILE 31 -2.961 23.567 24.430 246 HG22 ILE 31 2HG2 ILE 31 -1.348 24.221 24.153 247 HG23 ILE 31 3HG2 ILE 31 -2.010 24.173 25.787 248 HD11 ILE 31 1HD1 ILE 31 -2.932 27.085 26.638 249 HD12 ILE 31 2HD1 ILE 31 -1.196 27.340 26.817 250 HD13 ILE 31 3HD1 ILE 31 -2.184 28.545 25.991 251 HA PRO 32 HA PRO 32 -6.783 28.214 22.507 252 HB2 PRO 32 2HB PRO 32 -8.605 27.492 24.386 253 HB3 PRO 32 3HB PRO 32 -8.418 26.636 22.851 254 HG2 PRO 32 2HG PRO 32 -7.350 25.928 25.556 255 HG3 PRO 32 3HG PRO 32 -8.094 24.877 24.337 256 HD2 PRO 32 2HD PRO 32 -5.414 25.027 24.691 257 HD3 PRO 32 3HD PRO 32 -6.152 24.719 23.106 258 H GLU 33 H GLU 33 -6.143 30.190 23.146 259 HA GLU 33 HA GLU 33 -6.208 30.780 26.030 260 HB2 GLU 33 2HB GLU 33 -3.895 30.767 25.435 261 HB3 GLU 33 3HB GLU 33 -4.200 31.702 23.978 262 HG2 GLU 33 2HG GLU 33 -4.736 33.651 25.282 263 HG3 GLU 33 3HG GLU 33 -4.597 32.729 26.778 264 H ILE 34 H ILE 34 -5.705 32.775 23.133 265 HA ILE 34 HA ILE 34 -8.190 34.216 23.782 266 HB ILE 34 HB ILE 34 -7.108 36.321 23.091 267 HG12 ILE 34 2HG1 ILE 34 -4.420 35.960 23.329 268 HG13 ILE 34 3HG1 ILE 34 -4.884 34.463 22.527 269 HG21 ILE 34 1HG2 ILE 34 -6.789 34.925 25.500 270 HG22 ILE 34 2HG2 ILE 34 -5.231 35.681 25.166 271 HG23 ILE 34 3HG2 ILE 34 -6.691 36.667 25.244 272 HD11 ILE 34 1HD1 ILE 34 -4.479 35.780 20.720 273 HD12 ILE 34 2HD1 ILE 34 -6.194 36.120 20.955 274 HD13 ILE 34 3HD1 ILE 34 -4.981 37.257 21.542 275 H ASN 35 H ASN 35 -5.850 33.274 21.325 276 HA ASN 35 HA ASN 35 -7.821 32.862 19.355 277 HB2 ASN 35 2HB ASN 35 -7.759 35.390 19.420 278 HB3 ASN 35 3HB ASN 35 -6.105 35.291 18.823 279 HD21 ASN 35 1HD2 ASN 35 -9.051 35.978 17.847 280 HD22 ASN 35 2HD2 ASN 35 -9.017 35.387 16.224 281 H LEU 36 H LEU 36 -6.303 30.981 19.780 282 HA LEU 36 HA LEU 36 -3.864 31.189 18.151 283 HB2 LEU 36 2HB LEU 36 -3.455 30.449 20.408 284 HB3 LEU 36 3HB LEU 36 -4.679 29.190 20.254 285 HG LEU 36 HG LEU 36 -2.594 28.935 18.250 286 HD11 LEU 36 1HD1 LEU 36 -1.782 28.773 21.148 287 HD12 LEU 36 2HD1 LEU 36 -1.202 29.953 19.973 288 HD13 LEU 36 3HD1 LEU 36 -0.815 28.244 19.771 289 HD21 LEU 36 1HD2 LEU 36 -3.689 27.153 20.421 290 HD22 LEU 36 2HD2 LEU 36 -2.540 26.637 19.186 291 HD23 LEU 36 3HD2 LEU 36 -4.156 27.169 18.720 292 H ASN 37 H ASN 37 -6.815 29.325 18.626 293 HA ASN 37 HA ASN 37 -6.376 27.267 16.810 294 HB2 ASN 37 2HB ASN 37 -8.793 28.595 17.937 295 HB3 ASN 37 3HB ASN 37 -9.017 27.555 16.534 296 HD21 ASN 37 1HD2 ASN 37 -8.915 27.653 19.833 297 HD22 ASN 37 2HD2 ASN 37 -8.662 25.974 20.155 298 H ASP 38 H ASP 38 -7.851 30.454 16.254 299 HA ASP 38 HA ASP 38 -8.405 30.133 13.533 300 HB2 ASP 38 2HB ASP 38 -9.025 32.046 15.227 301 HB3 ASP 38 3HB ASP 38 -7.558 32.797 14.605 302 H THR 39 H THR 39 -5.570 31.629 15.087 303 HA THR 39 HA THR 39 -4.150 32.244 12.772 304 HB THR 39 HB THR 39 -2.286 31.441 14.781 305 HG1 THR 39 HG1 THR 39 -3.168 32.728 16.515 306 HG21 THR 39 1HG2 THR 39 -2.190 34.042 14.994 307 HG22 THR 39 2HG2 THR 39 -3.282 34.008 13.610 308 HG23 THR 39 3HG2 THR 39 -1.686 33.268 13.492 309 H PHE 40 H PHE 40 -3.853 29.354 14.840 310 HA PHE 40 HA PHE 40 -1.953 28.021 13.281 311 HB2 PHE 40 2HB PHE 40 -2.688 27.435 15.631 312 HB3 PHE 40 3HB PHE 40 -4.108 26.679 14.917 313 HD1 PHE 40 HD1 PHE 40 -0.561 26.659 13.798 314 HD2 PHE 40 HD2 PHE 40 -3.861 24.408 15.266 315 HE1 PHE 40 HE1 PHE 40 0.716 24.581 13.473 316 HE2 PHE 40 HE2 PHE 40 -2.589 22.327 14.945 317 HZ PHE 40 HZ PHE 40 -0.297 22.411 14.047 318 H ASP 41 H ASP 41 -5.483 27.994 13.145 319 HA ASP 41 HA ASP 41 -5.826 25.945 11.283 320 HB2 ASP 41 2HB ASP 41 -7.431 28.192 12.297 321 HB3 ASP 41 3HB ASP 41 -7.868 27.662 10.675 322 H THR 42 H THR 42 -5.916 29.449 10.608 323 HA THR 42 HA THR 42 -5.902 29.284 7.842 324 HB THR 42 HB THR 42 -6.045 31.353 9.531 325 HG1 THR 42 HG1 THR 42 -4.984 31.927 6.991 326 HG21 THR 42 1HG2 THR 42 -3.536 31.116 9.944 327 HG22 THR 42 2HG2 THR 42 -4.130 32.727 9.539 328 HG23 THR 42 3HG2 THR 42 -3.323 31.749 8.313 329 H PHE 43 H PHE 43 -3.298 28.865 10.098 330 HA PHE 43 HA PHE 43 -1.173 29.233 8.224 331 HB2 PHE 43 2HB PHE 43 -0.982 29.430 10.741 332 HB3 PHE 43 3HB PHE 43 -1.057 27.672 10.807 333 HD1 PHE 43 HD1 PHE 43 1.063 27.115 11.607 334 HD2 PHE 43 HD2 PHE 43 0.690 29.769 8.300 335 HE1 PHE 43 HE1 PHE 43 3.494 26.999 11.244 336 HE2 PHE 43 HE2 PHE 43 3.120 29.656 7.932 337 HZ PHE 43 HZ PHE 43 4.525 28.270 9.404 338 H ALA 44 H ALA 44 -2.385 26.297 9.853 339 HA ALA 44 HA ALA 44 -0.962 24.451 8.332 340 HB1 ALA 44 1HB ALA 44 -1.899 23.534 10.221 341 HB2 ALA 44 2HB ALA 44 -3.463 24.304 9.951 342 HB3 ALA 44 3HB ALA 44 -2.980 22.921 8.969 343 H LEU 45 H LEU 45 -4.240 25.728 7.829 344 HA LEU 45 HA LEU 45 -5.091 24.249 5.702 345 HB2 LEU 45 2HB LEU 45 -6.662 25.756 6.381 346 HB3 LEU 45 3HB LEU 45 -5.495 27.068 6.534 347 HG LEU 45 HG LEU 45 -5.512 27.407 4.135 348 HD11 LEU 45 1HD1 LEU 45 -6.852 24.809 4.167 349 HD12 LEU 45 2HD1 LEU 45 -5.902 25.584 2.900 350 HD13 LEU 45 3HD1 LEU 45 -7.605 25.996 3.102 351 HD21 LEU 45 1HD2 LEU 45 -8.394 27.312 4.448 352 HD22 LEU 45 2HD2 LEU 45 -7.318 28.702 4.291 353 HD23 LEU 45 3HD2 LEU 45 -7.590 27.969 5.873 354 H ASP 46 H ASP 46 -3.341 27.343 5.367 355 HA ASP 46 HA ASP 46 -2.965 27.342 2.649 356 HB2 ASP 46 2HB ASP 46 -2.106 28.915 4.714 357 HB3 ASP 46 3HB ASP 46 -0.591 28.213 4.152 358 H PHE 47 H PHE 47 -0.824 25.884 5.088 359 HA PHE 47 HA PHE 47 1.121 24.902 3.353 360 HB2 PHE 47 2HB PHE 47 0.324 24.456 6.125 361 HB3 PHE 47 3HB PHE 47 0.993 23.011 5.374 362 HD1 PHE 47 HD1 PHE 47 3.157 23.651 3.827 363 HD2 PHE 47 HD2 PHE 47 1.824 25.703 7.310 364 HE1 PHE 47 HE1 PHE 47 5.432 24.519 4.184 365 HE2 PHE 47 HE2 PHE 47 4.096 26.575 7.671 366 HZ PHE 47 HZ PHE 47 5.904 25.983 6.106 367 H SER 48 H SER 48 -1.603 23.089 4.778 368 HA SER 48 HA SER 48 -1.280 20.722 3.398 369 HB2 SER 48 2HB SER 48 -3.024 21.501 5.245 370 HB3 SER 48 3HB SER 48 -4.064 21.708 3.835 371 HG SER 48 HG SER 48 -4.392 19.642 4.247 372 H ARG 49 H ARG 49 -3.090 23.608 2.413 373 HA ARG 49 HA ARG 49 -4.334 22.784 0.142 374 HB2 ARG 49 2HB ARG 49 -4.185 25.140 1.182 375 HB3 ARG 49 3HB ARG 49 -2.776 25.356 0.152 376 HG2 ARG 49 2HG ARG 49 -4.764 24.352 -1.528 377 HG3 ARG 49 3HG ARG 49 -5.569 25.540 -0.500 378 HD2 ARG 49 2HD ARG 49 -3.661 27.109 -1.057 379 HD3 ARG 49 3HD ARG 49 -3.183 25.942 -2.289 380 HE ARG 49 HE ARG 49 -5.797 26.403 -2.834 381 HH11 ARG 49 1HH1 ARG 49 -3.610 29.697 -3.460 382 HH12 ARG 49 2HH1 ARG 49 -3.030 28.466 -2.387 383 HH21 ARG 49 1HH2 ARG 49 -5.626 29.439 -4.518 384 HH22 ARG 49 2HH2 ARG 49 -6.572 28.015 -4.249 385 H GLU 50 H GLU 50 -0.919 23.705 0.424 386 HA GLU 50 HA GLU 50 -0.376 23.148 -2.344 387 HB2 GLU 50 2HB GLU 50 1.002 24.369 -0.129 388 HB3 GLU 50 3HB GLU 50 2.047 23.188 -0.907 389 HG2 GLU 50 2HG GLU 50 1.298 24.360 -3.100 390 HG3 GLU 50 3HG GLU 50 0.856 25.684 -2.023 391 H LYS 51 H LYS 51 -0.056 21.461 0.711 392 HA LYS 51 HA LYS 51 1.610 19.362 -0.145 393 HB2 LYS 51 2HB LYS 51 1.307 18.514 1.936 394 HB3 LYS 51 3HB LYS 51 0.606 20.097 2.245 395 HG2 LYS 51 2HG LYS 51 -1.036 18.782 3.098 396 HG3 LYS 51 3HG LYS 51 -1.596 18.893 1.427 397 HD2 LYS 51 2HD LYS 51 -0.043 16.760 1.161 398 HD3 LYS 51 3HD LYS 51 -0.387 16.601 2.885 399 HE2 LYS 51 2HE LYS 51 -2.779 16.646 2.420 400 HE3 LYS 51 3HE LYS 51 -2.454 16.853 0.700 401 HZ1 LYS 51 1HZ LYS 51 -2.325 14.464 2.331 402 HZ2 LYS 51 2HZ LYS 51 -1.047 14.647 1.238 403 HZ3 LYS 51 3HZ LYS 51 -2.643 14.632 0.677 404 H LYS 52 H LYS 52 -1.793 19.954 -0.540 405 HA LYS 52 HA LYS 52 -2.471 17.264 -1.270 406 HB2 LYS 52 2HB LYS 52 -4.207 18.633 -0.352 407 HB3 LYS 52 3HB LYS 52 -3.927 19.893 -1.546 408 HG2 LYS 52 2HG LYS 52 -5.925 18.708 -2.120 409 HG3 LYS 52 3HG LYS 52 -4.679 18.327 -3.310 410 HD2 LYS 52 2HD LYS 52 -5.718 16.273 -2.799 411 HD3 LYS 52 3HD LYS 52 -4.189 16.260 -1.918 412 HE2 LYS 52 2HE LYS 52 -5.231 16.105 0.045 413 HE3 LYS 52 3HE LYS 52 -6.308 17.444 -0.347 414 HZ1 LYS 52 1HZ LYS 52 -7.210 15.362 -1.872 415 HZ2 LYS 52 2HZ LYS 52 -7.912 15.931 -0.442 416 HZ3 LYS 52 3HZ LYS 52 -6.821 14.638 -0.393 417 H LEU 53 H LEU 53 -2.147 20.308 -3.096 418 HA LEU 53 HA LEU 53 -2.596 19.331 -5.640 419 HB2 LEU 53 2HB LEU 53 -1.556 21.703 -4.473 420 HB3 LEU 53 3HB LEU 53 -0.488 21.231 -5.793 421 HG LEU 53 HG LEU 53 -2.481 21.183 -7.294 422 HD11 LEU 53 1HD1 LEU 53 -4.381 22.693 -6.258 423 HD12 LEU 53 2HD1 LEU 53 -3.802 21.978 -4.754 424 HD13 LEU 53 3HD1 LEU 53 -4.381 20.941 -6.058 425 HD21 LEU 53 1HD2 LEU 53 -2.533 23.921 -6.250 426 HD22 LEU 53 2HD2 LEU 53 -2.095 23.322 -7.850 427 HD23 LEU 53 3HD2 LEU 53 -0.917 23.277 -6.537 428 H LEU 54 H LEU 54 0.168 18.916 -3.593 429 HA LEU 54 HA LEU 54 1.998 18.146 -5.647 430 HB2 LEU 54 2HB LEU 54 2.991 18.928 -3.682 431 HB3 LEU 54 3HB LEU 54 1.969 17.920 -2.659 432 HG LEU 54 HG LEU 54 3.874 16.554 -4.487 433 HD11 LEU 54 1HD1 LEU 54 4.736 17.839 -1.901 434 HD12 LEU 54 2HD1 LEU 54 5.186 18.401 -3.510 435 HD13 LEU 54 3HD1 LEU 54 5.714 16.814 -2.951 436 HD21 LEU 54 1HD2 LEU 54 3.926 15.561 -1.862 437 HD22 LEU 54 2HD2 LEU 54 3.139 14.849 -3.272 438 HD23 LEU 54 3HD2 LEU 54 2.239 15.938 -2.214 439 H GLU 55 H GLU 55 0.200 16.304 -3.180 440 HA GLU 55 HA GLU 55 0.973 13.761 -4.110 441 HB2 GLU 55 2HB GLU 55 -0.061 14.356 -1.859 442 HB3 GLU 55 3HB GLU 55 -1.612 14.373 -2.685 443 HG2 GLU 55 2HG GLU 55 -0.644 11.970 -3.467 444 HG3 GLU 55 3HG GLU 55 0.064 12.115 -1.859 445 H CYS 56 H CYS 56 -2.227 15.313 -4.413 446 HA CYS 56 HA CYS 56 -2.542 13.923 -6.992 447 HB2 CYS 56 2HB CYS 56 -4.126 13.674 -4.653 448 HB3 CYS 56 3HB CYS 56 -5.089 14.547 -5.838 449 HG CYS 56 HG CYS 56 -3.699 11.447 -6.236 450 H LEU 57 H LEU 57 -4.109 14.983 -8.467 451 HA LEU 57 HA LEU 57 -4.716 16.778 -9.724 452 HB2 LEU 57 2HB LEU 57 -5.431 17.399 -6.987 453 HB3 LEU 57 3HB LEU 57 -5.095 18.856 -7.920 454 HG LEU 57 HG LEU 57 -6.743 17.810 -9.644 455 HD11 LEU 57 1HD1 LEU 57 -8.220 16.659 -7.408 456 HD12 LEU 57 2HD1 LEU 57 -6.760 15.763 -7.825 457 HD13 LEU 57 3HD1 LEU 57 -7.993 16.058 -9.050 458 HD21 LEU 57 1HD2 LEU 57 -8.475 19.094 -8.739 459 HD22 LEU 57 2HD2 LEU 57 -7.006 19.854 -8.127 460 HD23 LEU 57 3HD2 LEU 57 -7.954 18.795 -7.081 461 H ASP 58 H ASP 58 -2.746 17.104 -10.751 462 HA ASP 58 HA ASP 58 -0.960 19.117 -9.568 463 HB2 ASP 58 2HB ASP 58 0.762 18.296 -11.056 464 HB3 ASP 58 3HB ASP 58 0.046 16.931 -10.203 465 H TYR 59 H TYR 59 -0.038 20.740 -11.008 466 HA TYR 59 HA TYR 59 -0.230 22.462 -12.480 467 HB2 TYR 59 2HB TYR 59 -0.045 20.579 -14.123 468 HB3 TYR 59 3HB TYR 59 -1.803 20.522 -14.184 469 HD1 TYR 59 HD1 TYR 59 -2.835 21.649 -15.909 470 HD2 TYR 59 HD2 TYR 59 0.947 23.034 -14.537 471 HE1 TYR 59 HE1 TYR 59 -2.834 23.369 -17.666 472 HE2 TYR 59 HE2 TYR 59 0.958 24.759 -16.290 473 HH TYR 59 HH TYR 59 -1.838 25.331 -18.322 474 H LEU 60 H LEU 60 -1.489 23.847 -11.294 475 HA LEU 60 HA LEU 60 -3.303 25.080 -10.694 476 HB2 LEU 60 2HB LEU 60 -3.639 24.384 -13.484 477 HB3 LEU 60 3HB LEU 60 -5.190 24.620 -12.683 478 HG LEU 60 HG LEU 60 -2.976 26.659 -12.600 479 HD11 LEU 60 1HD1 LEU 60 -5.256 26.397 -14.551 480 HD12 LEU 60 2HD1 LEU 60 -3.530 26.366 -14.913 481 HD13 LEU 60 3HD1 LEU 60 -4.284 27.854 -14.340 482 HD21 LEU 60 1HD2 LEU 60 -5.838 27.354 -12.367 483 HD22 LEU 60 2HD2 LEU 60 -4.435 28.016 -11.528 484 HD23 LEU 60 3HD2 LEU 60 -5.126 26.476 -11.013 Start of MODEL 11 1 H LEU 1 H LEU 1 7.472 0.934 5.868 2 HA LEU 1 HA LEU 1 8.991 2.935 5.498 3 HB2 LEU 1 2HB LEU 1 10.903 0.776 6.346 4 HB3 LEU 1 3HB LEU 1 11.420 2.195 5.438 5 HG LEU 1 HG LEU 1 9.936 3.057 7.719 6 HD11 LEU 1 1HD1 LEU 1 12.041 0.980 8.245 7 HD12 LEU 1 2HD1 LEU 1 10.398 1.066 8.880 8 HD13 LEU 1 3HD1 LEU 1 11.615 2.218 9.427 9 HD21 LEU 1 1HD2 LEU 1 11.604 4.368 6.520 10 HD22 LEU 1 2HD2 LEU 1 12.865 3.239 7.015 11 HD23 LEU 1 3HD2 LEU 1 12.030 4.216 8.224 12 H LYS 2 H LYS 2 9.156 3.281 3.377 13 HA LYS 2 HA LYS 2 9.964 1.139 1.584 14 HB2 LYS 2 2HB LYS 2 7.259 2.473 1.452 15 HB3 LYS 2 3HB LYS 2 7.969 1.608 0.095 16 HG2 LYS 2 2HG LYS 2 6.769 -0.095 0.951 17 HG3 LYS 2 3HG LYS 2 8.198 -0.283 1.970 18 HD2 LYS 2 2HD LYS 2 6.534 -0.298 3.554 19 HD3 LYS 2 3HD LYS 2 6.936 1.420 3.516 20 HE2 LYS 2 2HE LYS 2 4.836 1.896 2.978 21 HE3 LYS 2 3HE LYS 2 4.996 0.939 1.506 22 HZ1 LYS 2 1HZ LYS 2 3.151 0.245 2.994 23 HZ2 LYS 2 2HZ LYS 2 4.298 -0.214 4.149 24 HZ3 LYS 2 3HZ LYS 2 4.252 -0.993 2.648 25 H GLU 3 H GLU 3 9.963 2.020 -0.760 26 HA GLU 3 HA GLU 3 10.512 4.889 -0.858 27 HB2 GLU 3 2HB GLU 3 12.488 2.722 -1.556 28 HB3 GLU 3 3HB GLU 3 12.625 4.358 -2.185 29 HG2 GLU 3 2HG GLU 3 12.783 5.229 0.084 30 HG3 GLU 3 3HG GLU 3 12.622 3.596 0.727 31 H ASN 4 H ASN 4 8.298 3.633 -1.890 32 HA ASN 4 HA ASN 4 8.754 3.097 -4.704 33 HB2 ASN 4 2HB ASN 4 6.515 2.779 -2.802 34 HB3 ASN 4 3HB ASN 4 6.051 3.161 -4.458 35 HD21 ASN 4 1HD2 ASN 4 6.200 0.692 -2.528 36 HD22 ASN 4 2HD2 ASN 4 6.741 -0.561 -3.587 37 H ASP 5 H ASP 5 7.175 4.184 -6.277 38 HA ASP 5 HA ASP 5 7.776 6.899 -6.453 39 HB2 ASP 5 2HB ASP 5 5.630 5.244 -7.781 40 HB3 ASP 5 3HB ASP 5 5.904 6.938 -8.177 41 H HIS 6 H HIS 6 4.725 5.345 -5.480 42 HA HIS 6 HA HIS 6 3.452 7.819 -4.833 43 HB2 HIS 6 2HB HIS 6 2.295 5.651 -5.483 44 HB3 HIS 6 3HB HIS 6 2.641 5.081 -3.854 45 HD1 HIS 6 HD1 HIS 6 0.316 5.036 -2.912 46 HD2 HIS 6 HD2 HIS 6 1.254 8.678 -4.677 47 HE1 HIS 6 HE1 HIS 6 -1.587 6.575 -2.331 48 H ALA 7 H ALA 7 5.473 5.578 -3.130 49 HA ALA 7 HA ALA 7 4.763 6.290 -0.485 50 HB1 ALA 7 1HB ALA 7 6.340 4.814 0.150 51 HB2 ALA 7 2HB ALA 7 6.312 4.357 -1.553 52 HB3 ALA 7 3HB ALA 7 7.548 5.464 -0.958 53 H ARG 8 H ARG 8 7.626 7.219 -2.408 54 HA ARG 8 HA ARG 8 8.657 9.096 -0.647 55 HB2 ARG 8 2HB ARG 8 9.968 8.353 -2.514 56 HB3 ARG 8 3HB ARG 8 8.785 8.970 -3.659 57 HG2 ARG 8 2HG ARG 8 9.779 10.947 -3.704 58 HG3 ARG 8 3HG ARG 8 9.687 11.086 -1.948 59 HD2 ARG 8 2HD ARG 8 11.820 10.422 -1.655 60 HD3 ARG 8 3HD ARG 8 11.733 9.230 -2.951 61 HE ARG 8 HE ARG 8 12.700 11.916 -3.143 62 HH11 ARG 8 1HH1 ARG 8 11.776 9.854 -6.447 63 HH12 ARG 8 2HH1 ARG 8 11.196 9.318 -4.905 64 HH21 ARG 8 1HH2 ARG 8 13.071 11.738 -6.595 65 HH22 ARG 8 2HH2 ARG 8 13.471 12.631 -5.167 66 H PHE 9 H PHE 9 6.289 9.531 -3.247 67 HA PHE 9 HA PHE 9 6.045 12.309 -3.104 68 HB2 PHE 9 2HB PHE 9 4.489 10.087 -4.225 69 HB3 PHE 9 3HB PHE 9 3.516 11.486 -3.785 70 HD1 PHE 9 HD1 PHE 9 4.975 13.781 -4.454 71 HD2 PHE 9 HD2 PHE 9 4.939 10.030 -6.464 72 HE1 PHE 9 HE1 PHE 9 5.637 14.899 -6.544 73 HE2 PHE 9 HE2 PHE 9 5.602 11.141 -8.557 74 HZ PHE 9 HZ PHE 9 5.952 13.578 -8.599 75 H LEU 10 H LEU 10 4.223 9.773 -1.411 76 HA LEU 10 HA LEU 10 2.544 11.551 0.018 77 HB2 LEU 10 2HB LEU 10 2.805 8.781 -0.293 78 HB3 LEU 10 3HB LEU 10 3.017 9.085 1.430 79 HG LEU 10 HG LEU 10 0.753 10.561 0.583 80 HD11 LEU 10 1HD1 LEU 10 0.792 8.961 -1.354 81 HD12 LEU 10 2HD1 LEU 10 -0.677 8.934 -0.380 82 HD13 LEU 10 3HD1 LEU 10 0.529 7.662 -0.190 83 HD21 LEU 10 1HD2 LEU 10 -0.346 9.335 2.272 84 HD22 LEU 10 2HD2 LEU 10 1.325 9.500 2.811 85 HD23 LEU 10 3HD2 LEU 10 0.768 7.976 2.119 86 H GLN 11 H GLN 11 5.676 10.104 0.702 87 HA GLN 11 HA GLN 11 5.875 10.724 3.417 88 HB2 GLN 11 2HB GLN 11 7.802 10.164 1.228 89 HB3 GLN 11 3HB GLN 11 8.442 10.927 2.677 90 HG2 GLN 11 2HG GLN 11 6.926 8.918 3.724 91 HG3 GLN 11 3HG GLN 11 7.530 8.189 2.237 92 HE21 GLN 11 1HE2 GLN 11 10.000 9.282 2.004 93 HE22 GLN 11 2HE2 GLN 11 10.997 8.793 3.327 94 H THR 12 H THR 12 6.164 12.729 0.600 95 HA THR 12 HA THR 12 7.452 14.912 1.974 96 HB THR 12 HB THR 12 6.152 14.782 -0.752 97 HG1 THR 12 HG1 THR 12 8.000 13.672 -0.941 98 HG21 THR 12 1HG2 THR 12 6.101 17.034 -0.494 99 HG22 THR 12 2HG2 THR 12 7.813 16.895 -0.893 100 HG23 THR 12 3HG2 THR 12 7.308 17.021 0.792 101 H ALA 13 H ALA 13 4.227 14.420 0.531 102 HA ALA 13 HA ALA 13 3.036 16.784 1.301 103 HB1 ALA 13 1HB ALA 13 2.069 14.081 0.629 104 HB2 ALA 13 2HB ALA 13 0.943 15.108 1.518 105 HB3 ALA 13 3HB ALA 13 1.604 15.651 -0.025 106 H LYS 14 H LYS 14 3.303 13.767 3.151 107 HA LYS 14 HA LYS 14 1.872 14.737 5.412 108 HB2 LYS 14 2HB LYS 14 2.870 12.274 4.569 109 HB3 LYS 14 3HB LYS 14 3.784 12.638 6.026 110 HG2 LYS 14 2HG LYS 14 2.059 12.129 7.319 111 HG3 LYS 14 3HG LYS 14 0.987 13.199 6.413 112 HD2 LYS 14 2HD LYS 14 0.540 11.472 4.800 113 HD3 LYS 14 3HD LYS 14 1.745 10.414 5.537 114 HE2 LYS 14 2HE LYS 14 0.366 10.521 7.649 115 HE3 LYS 14 3HE LYS 14 -0.886 11.312 6.693 116 HZ1 LYS 14 1HZ LYS 14 -0.889 8.740 7.019 117 HZ2 LYS 14 2HZ LYS 14 0.218 8.766 5.741 118 HZ3 LYS 14 3HZ LYS 14 -1.331 9.412 5.531 119 H ASN 15 H ASN 15 5.328 14.370 4.685 120 HA ASN 15 HA ASN 15 6.348 15.217 7.134 121 HB2 ASN 15 2HB ASN 15 7.804 14.208 5.505 122 HB3 ASN 15 3HB ASN 15 7.479 15.492 4.344 123 HD21 ASN 15 1HD2 ASN 15 9.494 16.274 4.094 124 HD22 ASN 15 2HD2 ASN 15 10.424 16.992 5.361 125 H ILE 16 H ILE 16 4.827 17.007 4.616 126 HA ILE 16 HA ILE 16 5.913 19.566 5.297 127 HB ILE 16 HB ILE 16 3.481 18.800 3.683 128 HG12 ILE 16 2HG1 ILE 16 5.878 20.126 2.524 129 HG13 ILE 16 3HG1 ILE 16 6.045 18.440 2.998 130 HG21 ILE 16 1HG2 ILE 16 2.881 20.923 4.288 131 HG22 ILE 16 2HG2 ILE 16 4.549 21.455 4.494 132 HG23 ILE 16 3HG2 ILE 16 3.875 21.274 2.874 133 HD11 ILE 16 1HD1 ILE 16 5.116 17.838 1.090 134 HD12 ILE 16 2HD1 ILE 16 3.632 18.669 1.556 135 HD13 ILE 16 3HD1 ILE 16 4.878 19.529 0.652 136 H THR 17 H THR 17 2.734 18.040 5.817 137 HA THR 17 HA THR 17 1.822 20.153 7.524 138 HB THR 17 HB THR 17 0.475 17.523 7.691 139 HG1 THR 17 HG1 THR 17 -0.452 17.978 5.538 140 HG21 THR 17 1HG2 THR 17 -0.227 20.406 7.564 141 HG22 THR 17 2HG2 THR 17 -0.849 19.134 8.616 142 HG23 THR 17 3HG2 THR 17 -1.411 19.253 6.949 143 H GLU 18 H GLU 18 3.639 17.268 7.968 144 HA GLU 18 HA GLU 18 3.021 16.933 10.756 145 HB2 GLU 18 2HB GLU 18 3.671 14.996 9.459 146 HB3 GLU 18 3HB GLU 18 5.195 15.755 9.020 147 HG2 GLU 18 2HG GLU 18 6.165 14.918 10.817 148 HG3 GLU 18 3HG GLU 18 4.985 15.711 11.858 149 H ARG 19 H ARG 19 5.608 18.408 8.869 150 HA ARG 19 HA ARG 19 7.306 18.974 11.074 151 HB2 ARG 19 2HB ARG 19 7.943 18.903 8.608 152 HB3 ARG 19 3HB ARG 19 7.223 20.502 8.477 153 HG2 ARG 19 2HG ARG 19 8.949 20.656 10.661 154 HG3 ARG 19 3HG ARG 19 9.822 19.735 9.435 155 HD2 ARG 19 2HD ARG 19 9.333 21.509 7.795 156 HD3 ARG 19 3HD ARG 19 8.532 22.436 9.064 157 HE ARG 19 HE ARG 19 11.110 21.842 9.941 158 HH11 ARG 19 1HH1 ARG 19 10.817 24.875 7.345 159 HH12 ARG 19 2HH1 ARG 19 9.550 23.698 7.443 160 HH21 ARG 19 1HH2 ARG 19 12.657 24.696 8.697 161 HH22 ARG 19 2HH2 ARG 19 12.785 23.386 9.821 162 H VAL 20 H VAL 20 4.960 20.938 9.265 163 HA VAL 20 HA VAL 20 5.307 23.358 10.567 164 HB VAL 20 HB VAL 20 3.905 23.239 8.621 165 HG11 VAL 20 1HG1 VAL 20 3.041 20.934 9.137 166 HG12 VAL 20 2HG1 VAL 20 1.877 21.695 10.223 167 HG13 VAL 20 3HG1 VAL 20 1.846 22.062 8.498 168 HG21 VAL 20 1HG2 VAL 20 3.214 24.588 10.968 169 HG22 VAL 20 2HG2 VAL 20 2.715 24.983 9.323 170 HG23 VAL 20 3HG2 VAL 20 1.698 23.952 10.330 171 H SER 21 H SER 21 3.184 20.652 11.448 172 HA SER 21 HA SER 21 1.935 21.828 13.647 173 HB2 SER 21 2HB SER 21 2.072 19.235 12.470 174 HB3 SER 21 3HB SER 21 2.342 19.058 14.203 175 HG SER 21 HG SER 21 0.176 19.037 13.998 176 H MET 22 H MET 22 4.878 19.834 13.527 177 HA MET 22 HA MET 22 5.463 19.775 16.236 178 HB2 MET 22 2HB MET 22 6.949 19.383 13.739 179 HB3 MET 22 3HB MET 22 7.951 19.916 15.082 180 HG2 MET 22 2HG MET 22 6.481 17.966 16.262 181 HG3 MET 22 3HG MET 22 6.622 17.349 14.618 182 HE1 MET 22 1HE MET 22 10.112 18.190 17.501 183 HE2 MET 22 2HE MET 22 9.226 19.522 16.759 184 HE3 MET 22 3HE MET 22 8.399 18.414 17.856 185 H ALA 23 H ALA 23 6.283 22.230 13.822 186 HA ALA 23 HA ALA 23 7.874 23.837 15.514 187 HB1 ALA 23 1HB ALA 23 7.200 25.651 13.789 188 HB2 ALA 23 2HB ALA 23 8.176 24.279 13.263 189 HB3 ALA 23 3HB ALA 23 6.445 24.309 12.930 190 H THR 24 H THR 24 4.420 23.682 14.918 191 HA THR 24 HA THR 24 3.827 26.106 16.345 192 HB THR 24 HB THR 24 1.480 24.602 16.263 193 HG1 THR 24 HG1 THR 24 2.845 24.294 13.786 194 HG21 THR 24 1HG2 THR 24 1.463 26.095 13.940 195 HG22 THR 24 2HG2 THR 24 2.642 26.929 14.952 196 HG23 THR 24 3HG2 THR 24 1.001 26.668 15.542 197 H ALA 25 H ALA 25 3.998 22.692 17.095 198 HA ALA 25 HA ALA 25 2.849 23.090 19.741 199 HB1 ALA 25 1HB ALA 25 2.624 20.818 19.883 200 HB2 ALA 25 2HB ALA 25 2.568 21.026 18.132 201 HB3 ALA 25 3HB ALA 25 4.061 20.502 18.910 202 H SER 26 H SER 26 5.747 23.732 18.451 203 HA SER 26 HA SER 26 7.229 22.907 20.861 204 HB2 SER 26 2HB SER 26 8.063 21.937 18.717 205 HB3 SER 26 3HB SER 26 8.377 23.574 18.140 206 HG SER 26 HG SER 26 10.044 23.742 19.465 207 H SER 27 H SER 27 6.205 25.541 18.883 208 HA SER 27 HA SER 27 7.919 27.415 20.356 209 HB2 SER 27 2HB SER 27 7.323 27.287 17.670 210 HB3 SER 27 3HB SER 27 6.219 28.536 18.246 211 HG SER 27 HG SER 27 9.032 28.482 18.300 212 H GLN 28 H GLN 28 4.570 26.608 19.679 213 HA GLN 28 HA GLN 28 3.743 28.580 21.706 214 HB2 GLN 28 2HB GLN 28 2.293 27.601 19.249 215 HB3 GLN 28 3HB GLN 28 1.493 28.486 20.541 216 HG2 GLN 28 2HG GLN 28 2.505 30.458 20.012 217 HG3 GLN 28 3HG GLN 28 3.930 29.673 19.333 218 HE21 GLN 28 1HE2 GLN 28 1.251 31.412 18.596 219 HE22 GLN 28 2HE2 GLN 28 1.068 30.978 16.934 220 H VAL 29 H VAL 29 3.671 25.290 20.666 221 HA VAL 29 HA VAL 29 3.008 23.375 21.707 222 HB VAL 29 HB VAL 29 2.237 24.966 24.138 223 HG11 VAL 29 1HG1 VAL 29 3.700 22.414 24.316 224 HG12 VAL 29 2HG1 VAL 29 2.325 23.006 25.252 225 HG13 VAL 29 3HG1 VAL 29 2.071 22.321 23.646 226 HG21 VAL 29 1HG2 VAL 29 4.956 24.458 23.029 227 HG22 VAL 29 2HG2 VAL 29 4.330 25.874 23.874 228 HG23 VAL 29 3HG2 VAL 29 4.724 24.412 24.777 229 H LEU 30 H LEU 30 1.149 25.065 20.204 230 HA LEU 30 HA LEU 30 -1.069 25.258 19.719 231 HB2 LEU 30 2HB LEU 30 -0.770 22.562 20.941 232 HB3 LEU 30 3HB LEU 30 -2.398 23.158 20.621 233 HG LEU 30 HG LEU 30 -1.936 23.312 18.265 234 HD11 LEU 30 1HD1 LEU 30 0.241 22.549 17.358 235 HD12 LEU 30 2HD1 LEU 30 0.872 22.506 19.004 236 HD13 LEU 30 3HD1 LEU 30 0.354 24.037 18.299 237 HD21 LEU 30 1HD2 LEU 30 -0.732 20.681 18.664 238 HD22 LEU 30 2HD2 LEU 30 -2.265 21.127 17.916 239 HD23 LEU 30 3HD2 LEU 30 -2.150 20.974 19.670 240 H ILE 31 H ILE 31 -1.020 27.082 21.312 241 HA ILE 31 HA ILE 31 -2.724 26.503 23.644 242 HB ILE 31 HB ILE 31 -1.894 28.735 24.500 243 HG12 ILE 31 2HG1 ILE 31 0.589 28.599 23.003 244 HG13 ILE 31 3HG1 ILE 31 -0.784 28.893 21.941 245 HG21 ILE 31 1HG2 ILE 31 -0.985 26.981 25.655 246 HG22 ILE 31 2HG2 ILE 31 -0.249 26.273 24.218 247 HG23 ILE 31 3HG2 ILE 31 0.475 27.694 24.970 248 HD11 ILE 31 1HD1 ILE 31 -1.300 30.907 22.964 249 HD12 ILE 31 2HD1 ILE 31 -0.395 30.508 24.426 250 HD13 ILE 31 3HD1 ILE 31 0.464 30.900 22.936 251 HA PRO 32 HA PRO 32 -5.357 28.909 20.690 252 HB2 PRO 32 2HB PRO 32 -7.600 27.451 21.155 253 HB3 PRO 32 3HB PRO 32 -6.383 26.987 19.960 254 HG2 PRO 32 2HG PRO 32 -6.777 25.980 22.752 255 HG3 PRO 32 3HG PRO 32 -6.412 25.069 21.275 256 HD2 PRO 32 2HD PRO 32 -4.516 25.702 23.101 257 HD3 PRO 32 3HD PRO 32 -4.166 25.577 21.365 258 H GLU 33 H GLU 33 -5.206 30.691 22.139 259 HA GLU 33 HA GLU 33 -6.816 30.690 24.547 260 HB2 GLU 33 2HB GLU 33 -4.524 31.924 24.024 261 HB3 GLU 33 3HB GLU 33 -5.607 33.187 23.454 262 HG2 GLU 33 2HG GLU 33 -6.164 32.024 26.118 263 HG3 GLU 33 3HG GLU 33 -4.744 33.056 25.960 264 H ILE 34 H ILE 34 -6.663 32.972 21.810 265 HA ILE 34 HA ILE 34 -9.531 32.846 21.458 266 HB ILE 34 HB ILE 34 -9.674 35.404 21.653 267 HG12 ILE 34 2HG1 ILE 34 -7.233 34.886 23.366 268 HG13 ILE 34 3HG1 ILE 34 -7.265 35.820 21.874 269 HG21 ILE 34 1HG2 ILE 34 -9.310 33.920 24.245 270 HG22 ILE 34 2HG2 ILE 34 -10.404 35.260 23.901 271 HG23 ILE 34 3HG2 ILE 34 -10.696 33.677 23.181 272 HD11 ILE 34 1HD1 ILE 34 -9.145 37.118 23.301 273 HD12 ILE 34 2HD1 ILE 34 -8.078 36.566 24.592 274 HD13 ILE 34 3HD1 ILE 34 -7.437 37.555 23.280 275 H ASN 35 H ASN 35 -6.497 34.481 20.652 276 HA ASN 35 HA ASN 35 -7.459 34.740 17.879 277 HB2 ASN 35 2HB ASN 35 -6.825 36.840 19.329 278 HB3 ASN 35 3HB ASN 35 -5.176 36.369 18.928 279 HD21 ASN 35 1HD2 ASN 35 -8.276 36.535 17.201 280 HD22 ASN 35 2HD2 ASN 35 -7.664 37.414 15.845 281 H LEU 36 H LEU 36 -6.355 32.341 18.834 282 HA LEU 36 HA LEU 36 -3.742 32.304 17.472 283 HB2 LEU 36 2HB LEU 36 -3.546 31.781 19.837 284 HB3 LEU 36 3HB LEU 36 -4.764 30.517 19.676 285 HG LEU 36 HG LEU 36 -2.480 30.143 17.898 286 HD11 LEU 36 1HD1 LEU 36 -0.992 30.912 19.445 287 HD12 LEU 36 2HD1 LEU 36 -1.186 29.256 20.018 288 HD13 LEU 36 3HD1 LEU 36 -2.058 30.569 20.808 289 HD21 LEU 36 1HD2 LEU 36 -3.132 28.171 19.970 290 HD22 LEU 36 2HD2 LEU 36 -2.982 27.979 18.223 291 HD23 LEU 36 3HD2 LEU 36 -4.476 28.612 18.917 292 H ASN 37 H ASN 37 -6.807 30.635 17.955 293 HA ASN 37 HA ASN 37 -6.370 28.396 16.359 294 HB2 ASN 37 2HB ASN 37 -8.338 28.688 17.822 295 HB3 ASN 37 3HB ASN 37 -8.960 29.918 16.726 296 HD21 ASN 37 1HD2 ASN 37 -10.720 28.144 17.031 297 HD22 ASN 37 2HD2 ASN 37 -10.769 26.957 15.776 298 H ASP 38 H ASP 38 -7.746 31.551 15.456 299 HA ASP 38 HA ASP 38 -8.179 31.005 12.752 300 HB2 ASP 38 2HB ASP 38 -8.656 33.137 14.357 301 HB3 ASP 38 3HB ASP 38 -7.301 33.750 13.413 302 H THR 39 H THR 39 -5.266 31.818 14.478 303 HA THR 39 HA THR 39 -3.732 32.459 12.135 304 HB THR 39 HB THR 39 -2.076 31.658 14.350 305 HG1 THR 39 HG1 THR 39 -2.931 33.326 15.800 306 HG21 THR 39 1HG2 THR 39 -1.761 33.387 12.441 307 HG22 THR 39 2HG2 THR 39 -1.105 33.750 14.038 308 HG23 THR 39 3HG2 THR 39 -2.622 34.485 13.519 309 H PHE 40 H PHE 40 -3.734 29.719 14.419 310 HA PHE 40 HA PHE 40 -1.863 28.148 13.065 311 HB2 PHE 40 2HB PHE 40 -2.712 27.765 15.397 312 HB3 PHE 40 3HB PHE 40 -4.192 27.121 14.694 313 HD1 PHE 40 HD1 PHE 40 -0.681 26.629 13.592 314 HD2 PHE 40 HD2 PHE 40 -4.171 24.876 15.284 315 HE1 PHE 40 HE1 PHE 40 0.365 24.407 13.439 316 HE2 PHE 40 HE2 PHE 40 -3.131 22.652 15.134 317 HZ PHE 40 HZ PHE 40 -0.860 22.415 14.211 318 H ASP 41 H ASP 41 -5.384 28.305 12.760 319 HA ASP 41 HA ASP 41 -5.752 26.168 11.006 320 HB2 ASP 41 2HB ASP 41 -7.438 27.848 12.217 321 HB3 ASP 41 3HB ASP 41 -7.418 28.605 10.626 322 H THR 42 H THR 42 -5.574 29.628 10.146 323 HA THR 42 HA THR 42 -5.449 29.273 7.385 324 HB THR 42 HB THR 42 -5.628 31.454 8.919 325 HG1 THR 42 HG1 THR 42 -5.845 32.371 7.010 326 HG21 THR 42 1HG2 THR 42 -3.687 32.749 9.027 327 HG22 THR 42 2HG2 THR 42 -2.846 31.760 7.834 328 HG23 THR 42 3HG2 THR 42 -3.124 31.136 9.459 329 H PHE 43 H PHE 43 -3.027 28.835 9.805 330 HA PHE 43 HA PHE 43 -0.766 29.063 8.063 331 HB2 PHE 43 2HB PHE 43 -0.682 29.392 10.551 332 HB3 PHE 43 3HB PHE 43 -0.916 27.656 10.735 333 HD1 PHE 43 HD1 PHE 43 1.101 27.035 11.749 334 HD2 PHE 43 HD2 PHE 43 1.153 29.354 8.180 335 HE1 PHE 43 HE1 PHE 43 3.530 26.690 11.563 336 HE2 PHE 43 HE2 PHE 43 3.582 29.012 7.988 337 HZ PHE 43 HZ PHE 43 4.774 27.677 9.681 338 H ALA 44 H ALA 44 -2.489 26.321 9.535 339 HA ALA 44 HA ALA 44 -0.949 24.327 8.229 340 HB1 ALA 44 1HB ALA 44 -2.693 22.776 8.981 341 HB2 ALA 44 2HB ALA 44 -2.170 23.853 10.277 342 HB3 ALA 44 3HB ALA 44 -3.701 24.145 9.451 343 H LEU 45 H LEU 45 -4.156 25.711 7.563 344 HA LEU 45 HA LEU 45 -4.957 24.186 5.438 345 HB2 LEU 45 2HB LEU 45 -5.992 26.305 6.613 346 HB3 LEU 45 3HB LEU 45 -5.284 27.139 5.231 347 HG LEU 45 HG LEU 45 -7.535 26.735 4.668 348 HD11 LEU 45 1HD1 LEU 45 -7.378 25.405 2.713 349 HD12 LEU 45 2HD1 LEU 45 -6.049 24.458 3.380 350 HD13 LEU 45 3HD1 LEU 45 -5.796 26.149 2.948 351 HD21 LEU 45 1HD2 LEU 45 -7.089 24.201 6.093 352 HD22 LEU 45 2HD2 LEU 45 -8.125 24.096 4.669 353 HD23 LEU 45 3HD2 LEU 45 -8.535 25.204 5.980 354 H ASP 46 H ASP 46 -3.173 27.261 5.110 355 HA ASP 46 HA ASP 46 -2.696 27.221 2.414 356 HB2 ASP 46 2HB ASP 46 -1.849 28.773 4.520 357 HB3 ASP 46 3HB ASP 46 -0.342 28.061 3.950 358 H PHE 47 H PHE 47 -0.739 25.672 4.940 359 HA PHE 47 HA PHE 47 1.298 24.675 3.334 360 HB2 PHE 47 2HB PHE 47 0.288 24.197 6.016 361 HB3 PHE 47 3HB PHE 47 0.897 22.718 5.279 362 HD1 PHE 47 HD1 PHE 47 3.182 23.367 3.807 363 HD2 PHE 47 HD2 PHE 47 1.815 25.157 7.419 364 HE1 PHE 47 HE1 PHE 47 5.485 24.052 4.335 365 HE2 PHE 47 HE2 PHE 47 4.116 25.845 7.952 366 HZ PHE 47 HZ PHE 47 5.955 25.293 6.410 367 H SER 48 H SER 48 -1.701 23.041 4.347 368 HA SER 48 HA SER 48 -1.356 20.642 3.027 369 HB2 SER 48 2HB SER 48 -3.255 21.399 4.609 370 HB3 SER 48 3HB SER 48 -4.047 21.988 3.148 371 HG SER 48 HG SER 48 -3.154 19.325 3.572 372 H ARG 49 H ARG 49 -2.783 23.644 1.781 373 HA ARG 49 HA ARG 49 -3.664 22.857 -0.681 374 HB2 ARG 49 2HB ARG 49 -3.168 25.287 0.567 375 HB3 ARG 49 3HB ARG 49 -2.162 25.344 -0.874 376 HG2 ARG 49 2HG ARG 49 -4.848 24.366 -1.409 377 HG3 ARG 49 3HG ARG 49 -4.824 25.995 -0.730 378 HD2 ARG 49 2HD ARG 49 -2.850 26.216 -2.543 379 HD3 ARG 49 3HD ARG 49 -3.853 25.003 -3.336 380 HE ARG 49 HE ARG 49 -5.391 26.631 -3.779 381 HH11 ARG 49 1HH1 ARG 49 -3.926 29.349 -1.231 382 HH12 ARG 49 2HH1 ARG 49 -3.269 27.745 -1.255 383 HH21 ARG 49 1HH2 ARG 49 -5.630 29.912 -2.655 384 HH22 ARG 49 2HH2 ARG 49 -6.264 28.738 -3.758 385 H GLU 50 H GLU 50 -0.331 23.580 0.259 386 HA GLU 50 HA GLU 50 0.683 23.091 -2.397 387 HB2 GLU 50 2HB GLU 50 1.720 24.727 -0.820 388 HB3 GLU 50 3HB GLU 50 2.214 23.378 0.192 389 HG2 GLU 50 2HG GLU 50 3.128 22.759 -2.373 390 HG3 GLU 50 3HG GLU 50 3.477 24.471 -2.141 391 H LYS 51 H LYS 51 0.287 21.313 0.577 392 HA LYS 51 HA LYS 51 2.057 19.194 0.101 393 HB2 LYS 51 2HB LYS 51 1.143 18.229 1.952 394 HB3 LYS 51 3HB LYS 51 0.498 19.850 2.169 395 HG2 LYS 51 2HG LYS 51 -1.419 18.689 2.453 396 HG3 LYS 51 3HG LYS 51 -1.471 18.833 0.695 397 HD2 LYS 51 2HD LYS 51 -0.251 16.612 0.617 398 HD3 LYS 51 3HD LYS 51 -0.594 16.472 2.343 399 HE2 LYS 51 2HE LYS 51 -2.701 15.858 1.958 400 HE3 LYS 51 3HE LYS 51 -2.958 17.196 0.839 401 HZ1 LYS 51 1HZ LYS 51 -1.520 15.660 -0.711 402 HZ2 LYS 51 2HZ LYS 51 -3.192 15.450 -0.573 403 HZ3 LYS 51 3HZ LYS 51 -2.140 14.443 0.287 404 H LYS 52 H LYS 52 -1.110 19.886 -1.168 405 HA LYS 52 HA LYS 52 -1.483 17.234 -2.258 406 HB2 LYS 52 2HB LYS 52 -3.048 19.762 -2.807 407 HB3 LYS 52 3HB LYS 52 -3.542 18.121 -3.201 408 HG2 LYS 52 2HG LYS 52 -3.785 17.562 -0.895 409 HG3 LYS 52 3HG LYS 52 -3.055 19.089 -0.394 410 HD2 LYS 52 2HD LYS 52 -5.339 19.460 -2.159 411 HD3 LYS 52 3HD LYS 52 -5.755 18.589 -0.682 412 HE2 LYS 52 2HE LYS 52 -5.467 20.403 0.608 413 HE3 LYS 52 3HE LYS 52 -4.015 20.904 -0.257 414 HZ1 LYS 52 1HZ LYS 52 -5.706 22.541 -0.572 415 HZ2 LYS 52 2HZ LYS 52 -6.826 21.381 -1.080 416 HZ3 LYS 52 3HZ LYS 52 -5.483 21.737 -2.044 417 H LEU 53 H LEU 53 -1.105 20.495 -3.657 418 HA LEU 53 HA LEU 53 -0.904 19.793 -6.316 419 HB2 LEU 53 2HB LEU 53 -0.839 22.109 -5.059 420 HB3 LEU 53 3HB LEU 53 0.901 21.914 -5.263 421 HG LEU 53 HG LEU 53 -0.815 21.603 -7.669 422 HD11 LEU 53 1HD1 LEU 53 -1.822 23.553 -6.748 423 HD12 LEU 53 2HD1 LEU 53 -0.708 24.080 -8.009 424 HD13 LEU 53 3HD1 LEU 53 -0.254 24.231 -6.311 425 HD21 LEU 53 1HD2 LEU 53 1.242 21.527 -8.514 426 HD22 LEU 53 2HD2 LEU 53 1.961 22.063 -6.995 427 HD23 LEU 53 3HD2 LEU 53 1.367 23.250 -8.158 428 H LEU 54 H LEU 54 1.422 19.394 -3.773 429 HA LEU 54 HA LEU 54 3.694 19.006 -5.462 430 HB2 LEU 54 2HB LEU 54 3.988 19.704 -3.173 431 HB3 LEU 54 3HB LEU 54 3.175 18.253 -2.591 432 HG LEU 54 HG LEU 54 5.756 18.414 -2.456 433 HD11 LEU 54 1HD1 LEU 54 5.890 16.100 -2.422 434 HD12 LEU 54 2HD1 LEU 54 4.742 15.913 -3.748 435 HD13 LEU 54 3HD1 LEU 54 4.172 16.399 -2.152 436 HD21 LEU 54 1HD2 LEU 54 7.005 17.895 -4.347 437 HD22 LEU 54 2HD2 LEU 54 5.819 19.052 -4.951 438 HD23 LEU 54 3HD2 LEU 54 5.596 17.327 -5.243 439 H GLU 55 H GLU 55 1.822 16.722 -3.454 440 HA GLU 55 HA GLU 55 2.980 14.392 -4.475 441 HB2 GLU 55 2HB GLU 55 1.405 14.760 -2.430 442 HB3 GLU 55 3HB GLU 55 0.115 14.467 -3.588 443 HG2 GLU 55 2HG GLU 55 1.628 12.354 -4.142 444 HG3 GLU 55 3HG GLU 55 2.122 12.606 -2.469 445 H CYS 56 H CYS 56 -0.092 15.955 -5.379 446 HA CYS 56 HA CYS 56 0.146 14.691 -8.021 447 HB2 CYS 56 2HB CYS 56 -2.359 14.426 -8.009 448 HB3 CYS 56 3HB CYS 56 -1.498 13.370 -6.896 449 HG CYS 56 HG CYS 56 -4.029 14.526 -5.940 450 H LEU 57 H LEU 57 -1.614 15.735 -9.528 451 HA LEU 57 HA LEU 57 -1.054 18.568 -9.518 452 HB2 LEU 57 2HB LEU 57 -1.966 16.569 -11.442 453 HB3 LEU 57 3HB LEU 57 -2.776 18.125 -11.610 454 HG LEU 57 HG LEU 57 -0.147 18.865 -11.455 455 HD11 LEU 57 1HD1 LEU 57 0.715 16.640 -11.537 456 HD12 LEU 57 2HD1 LEU 57 1.001 17.391 -13.107 457 HD13 LEU 57 3HD1 LEU 57 -0.315 16.234 -12.911 458 HD21 LEU 57 1HD2 LEU 57 -1.853 18.240 -13.858 459 HD22 LEU 57 2HD2 LEU 57 -0.334 19.133 -13.929 460 HD23 LEU 57 3HD2 LEU 57 -1.700 19.785 -13.022 461 H ASP 58 H ASP 58 -2.423 20.186 -9.036 462 HA ASP 58 HA ASP 58 -5.230 20.039 -9.124 463 HB2 ASP 58 2HB ASP 58 -4.095 18.864 -6.798 464 HB3 ASP 58 3HB ASP 58 -4.851 20.379 -6.311 465 H TYR 59 H TYR 59 -6.259 21.967 -8.075 466 HA TYR 59 HA TYR 59 -4.484 24.151 -7.394 467 HB2 TYR 59 2HB TYR 59 -5.869 23.946 -10.018 468 HB3 TYR 59 3HB TYR 59 -5.855 25.522 -9.234 469 HD1 TYR 59 HD1 TYR 59 -4.125 23.422 -11.436 470 HD2 TYR 59 HD2 TYR 59 -3.466 26.266 -8.341 471 HE1 TYR 59 HE1 TYR 59 -1.855 23.820 -12.294 472 HE2 TYR 59 HE2 TYR 59 -1.194 26.673 -9.191 473 HH TYR 59 HH TYR 59 -0.018 26.425 -11.494 474 H LEU 60 H LEU 60 -7.787 24.027 -8.707 475 HA LEU 60 HA LEU 60 -8.730 25.434 -6.323 476 HB2 LEU 60 2HB LEU 60 -10.729 25.908 -7.592 477 HB3 LEU 60 3HB LEU 60 -9.297 26.359 -8.515 478 HG LEU 60 HG LEU 60 -9.865 23.776 -9.360 479 HD11 LEU 60 1HD1 LEU 60 -12.370 25.296 -8.760 480 HD12 LEU 60 2HD1 LEU 60 -12.006 23.591 -8.497 481 HD13 LEU 60 3HD1 LEU 60 -12.295 24.189 -10.131 482 HD21 LEU 60 1HD2 LEU 60 -9.135 25.214 -10.983 483 HD22 LEU 60 2HD2 LEU 60 -10.186 26.527 -10.451 484 HD23 LEU 60 3HD2 LEU 60 -10.858 25.172 -11.359 Start of MODEL 12 1 H LEU 1 H LEU 1 9.046 -0.988 3.826 2 HA LEU 1 HA LEU 1 8.447 0.735 2.468 3 HB2 LEU 1 2HB LEU 1 10.696 1.727 4.005 4 HB3 LEU 1 3HB LEU 1 10.598 2.487 2.418 5 HG LEU 1 HG LEU 1 9.462 3.823 4.104 6 HD11 LEU 1 1HD1 LEU 1 7.428 2.537 2.295 7 HD12 LEU 1 2HD1 LEU 1 8.625 3.713 1.753 8 HD13 LEU 1 3HD1 LEU 1 7.411 4.177 2.945 9 HD21 LEU 1 1HD2 LEU 1 8.017 3.028 5.626 10 HD22 LEU 1 2HD2 LEU 1 8.752 1.468 5.253 11 HD23 LEU 1 3HD2 LEU 1 7.241 1.941 4.474 12 H LYS 2 H LYS 2 8.385 0.665 0.326 13 HA LYS 2 HA LYS 2 10.897 0.342 -1.165 14 HB2 LYS 2 2HB LYS 2 8.355 -1.246 -1.526 15 HB3 LYS 2 3HB LYS 2 9.626 -1.178 -2.740 16 HG2 LYS 2 2HG LYS 2 10.925 -2.618 -1.632 17 HG3 LYS 2 3HG LYS 2 10.583 -1.874 -0.068 18 HD2 LYS 2 2HD LYS 2 9.098 -3.458 0.427 19 HD3 LYS 2 3HD LYS 2 8.239 -3.198 -1.093 20 HE2 LYS 2 2HE LYS 2 9.540 -4.778 -2.228 21 HE3 LYS 2 3HE LYS 2 10.796 -4.765 -0.991 22 HZ1 LYS 2 1HZ LYS 2 9.782 -6.411 0.059 23 HZ2 LYS 2 2HZ LYS 2 8.662 -6.515 -1.204 24 HZ3 LYS 2 3HZ LYS 2 8.329 -5.547 0.143 25 H GLU 3 H GLU 3 10.163 0.470 -3.684 26 HA GLU 3 HA GLU 3 9.499 1.850 -5.366 27 HB2 GLU 3 2HB GLU 3 7.232 1.212 -4.439 28 HB3 GLU 3 3HB GLU 3 7.260 2.723 -3.540 29 HG2 GLU 3 2HG GLU 3 6.269 3.626 -5.307 30 HG3 GLU 3 3HG GLU 3 7.838 3.522 -6.103 31 H ASN 4 H ASN 4 11.034 3.368 -5.590 32 HA ASN 4 HA ASN 4 11.276 5.533 -3.675 33 HB2 ASN 4 2HB ASN 4 12.840 4.929 -6.195 34 HB3 ASN 4 3HB ASN 4 13.224 6.210 -5.050 35 HD21 ASN 4 1HD2 ASN 4 14.814 5.712 -3.746 36 HD22 ASN 4 2HD2 ASN 4 15.182 4.139 -3.133 37 H ASP 5 H ASP 5 8.850 5.816 -4.667 38 HA ASP 5 HA ASP 5 9.063 8.248 -6.255 39 HB2 ASP 5 2HB ASP 5 7.222 5.987 -7.062 40 HB3 ASP 5 3HB ASP 5 7.348 7.559 -7.846 41 H HIS 6 H HIS 6 6.503 6.034 -5.120 42 HA HIS 6 HA HIS 6 4.876 8.243 -4.252 43 HB2 HIS 6 2HB HIS 6 4.122 5.926 -5.180 44 HB3 HIS 6 3HB HIS 6 4.340 5.382 -3.519 45 HD1 HIS 6 HD1 HIS 6 2.217 7.660 -5.618 46 HD2 HIS 6 HD2 HIS 6 2.375 6.191 -1.735 47 HE1 HIS 6 HE1 HIS 6 0.024 8.302 -4.567 48 H ALA 7 H ALA 7 7.155 6.063 -2.811 49 HA ALA 7 HA ALA 7 6.345 6.364 -0.109 50 HB1 ALA 7 1HB ALA 7 8.641 5.519 0.405 51 HB2 ALA 7 2HB ALA 7 7.713 4.499 -0.697 52 HB3 ALA 7 3HB ALA 7 8.979 5.554 -1.326 53 H ARG 8 H ARG 8 8.430 8.208 -2.236 54 HA ARG 8 HA ARG 8 9.458 9.860 -0.098 55 HB2 ARG 8 2HB ARG 8 10.560 11.116 -1.923 56 HB3 ARG 8 3HB ARG 8 10.903 9.393 -1.984 57 HG2 ARG 8 2HG ARG 8 9.332 9.093 -3.782 58 HG3 ARG 8 3HG ARG 8 8.830 10.781 -3.667 59 HD2 ARG 8 2HD ARG 8 11.717 10.332 -4.034 60 HD3 ARG 8 3HD ARG 8 10.698 9.861 -5.393 61 HE ARG 8 HE ARG 8 9.900 12.403 -4.595 62 HH11 ARG 8 1HH1 ARG 8 13.256 12.268 -6.772 63 HH12 ARG 8 2HH1 ARG 8 12.715 10.853 -5.933 64 HH21 ARG 8 1HH2 ARG 8 12.054 14.214 -6.636 65 HH22 ARG 8 2HH2 ARG 8 10.602 14.273 -5.695 66 H PHE 9 H PHE 9 6.945 10.006 -2.526 67 HA PHE 9 HA PHE 9 6.403 12.789 -2.259 68 HB2 PHE 9 2HB PHE 9 5.233 10.496 -3.672 69 HB3 PHE 9 3HB PHE 9 4.054 11.703 -3.170 70 HD1 PHE 9 HD1 PHE 9 7.533 12.491 -4.062 71 HD2 PHE 9 HD2 PHE 9 3.477 12.455 -5.351 72 HE1 PHE 9 HE1 PHE 9 8.140 13.882 -5.998 73 HE2 PHE 9 HE2 PHE 9 4.078 13.846 -7.290 74 HZ PHE 9 HZ PHE 9 6.412 14.560 -7.616 75 H LEU 10 H LEU 10 4.897 9.866 -0.919 76 HA LEU 10 HA LEU 10 2.901 11.226 0.554 77 HB2 LEU 10 2HB LEU 10 3.390 8.634 -0.068 78 HB3 LEU 10 3HB LEU 10 3.869 8.664 1.628 79 HG LEU 10 HG LEU 10 1.277 9.916 1.145 80 HD11 LEU 10 1HD1 LEU 10 1.849 7.258 0.018 81 HD12 LEU 10 2HD1 LEU 10 0.579 8.415 -0.380 82 HD13 LEU 10 3HD1 LEU 10 0.408 7.368 1.029 83 HD21 LEU 10 1HD2 LEU 10 0.675 8.332 2.996 84 HD22 LEU 10 2HD2 LEU 10 1.986 9.452 3.367 85 HD23 LEU 10 3HD2 LEU 10 2.347 7.772 2.968 86 H GLN 11 H GLN 11 6.014 9.810 1.548 87 HA GLN 11 HA GLN 11 5.892 10.570 4.238 88 HB2 GLN 11 2HB GLN 11 8.186 9.982 2.383 89 HB3 GLN 11 3HB GLN 11 8.460 10.449 4.056 90 HG2 GLN 11 2HG GLN 11 7.127 8.538 4.802 91 HG3 GLN 11 3HG GLN 11 6.879 8.064 3.122 92 HE21 GLN 11 1HE2 GLN 11 8.642 7.444 5.798 93 HE22 GLN 11 2HE2 GLN 11 10.053 6.756 5.076 94 H THR 12 H THR 12 6.753 12.360 1.378 95 HA THR 12 HA THR 12 7.987 14.541 2.782 96 HB THR 12 HB THR 12 7.117 14.139 -0.069 97 HG1 THR 12 HG1 THR 12 9.625 14.604 1.208 98 HG21 THR 12 1HG2 THR 12 8.161 16.381 -0.522 99 HG22 THR 12 2HG2 THR 12 8.113 16.679 1.216 100 HG23 THR 12 3HG2 THR 12 6.613 16.441 0.319 101 H ALA 13 H ALA 13 4.944 14.239 0.938 102 HA ALA 13 HA ALA 13 3.855 16.706 1.504 103 HB1 ALA 13 1HB ALA 13 1.676 14.982 1.538 104 HB2 ALA 13 2HB ALA 13 2.364 15.792 0.130 105 HB3 ALA 13 3HB ALA 13 2.881 14.159 0.548 106 H LYS 14 H LYS 14 3.641 13.732 3.424 107 HA LYS 14 HA LYS 14 1.984 14.850 5.447 108 HB2 LYS 14 2HB LYS 14 2.542 12.343 4.827 109 HB3 LYS 14 3HB LYS 14 3.820 12.561 6.015 110 HG2 LYS 14 2HG LYS 14 2.346 12.786 7.764 111 HG3 LYS 14 3HG LYS 14 1.025 13.320 6.722 112 HD2 LYS 14 2HD LYS 14 1.255 10.904 5.723 113 HD3 LYS 14 3HD LYS 14 2.013 10.559 7.279 114 HE2 LYS 14 2HE LYS 14 0.075 10.829 8.435 115 HE3 LYS 14 3HE LYS 14 -0.540 12.058 7.331 116 HZ1 LYS 14 1HZ LYS 14 -0.654 9.125 7.082 117 HZ2 LYS 14 2HZ LYS 14 -0.731 10.095 5.698 118 HZ3 LYS 14 3HZ LYS 14 -1.898 10.259 6.912 119 H ASN 15 H ASN 15 5.478 14.252 5.221 120 HA ASN 15 HA ASN 15 6.225 15.084 7.759 121 HB2 ASN 15 2HB ASN 15 7.871 14.036 6.409 122 HB3 ASN 15 3HB ASN 15 7.665 15.211 5.113 123 HD21 ASN 15 1HD2 ASN 15 9.058 14.587 8.227 124 HD22 ASN 15 2HD2 ASN 15 10.108 15.959 8.259 125 H ILE 16 H ILE 16 5.200 16.947 5.025 126 HA ILE 16 HA ILE 16 6.272 19.450 5.864 127 HB ILE 16 HB ILE 16 3.995 18.826 3.981 128 HG12 ILE 16 2HG1 ILE 16 6.629 19.906 3.101 129 HG13 ILE 16 3HG1 ILE 16 6.560 18.213 3.577 130 HG21 ILE 16 1HG2 ILE 16 4.390 21.170 3.171 131 HG22 ILE 16 2HG2 ILE 16 3.654 21.042 4.768 132 HG23 ILE 16 3HG2 ILE 16 5.368 21.428 4.616 133 HD11 ILE 16 1HD1 ILE 16 5.876 19.347 1.106 134 HD12 ILE 16 2HD1 ILE 16 5.708 17.667 1.615 135 HD13 ILE 16 3HD1 ILE 16 4.371 18.796 1.841 136 H THR 17 H THR 17 2.979 18.087 5.979 137 HA THR 17 HA THR 17 1.951 20.243 7.548 138 HB THR 17 HB THR 17 0.495 17.676 7.627 139 HG1 THR 17 HG1 THR 17 1.030 19.037 5.180 140 HG21 THR 17 1HG2 THR 17 -0.445 19.854 8.357 141 HG22 THR 17 2HG2 THR 17 -1.385 19.093 7.073 142 HG23 THR 17 3HG2 THR 17 -0.305 20.436 6.698 143 H GLU 18 H GLU 18 3.589 17.296 8.251 144 HA GLU 18 HA GLU 18 2.666 17.128 10.983 145 HB2 GLU 18 2HB GLU 18 3.442 15.192 9.428 146 HB3 GLU 18 3HB GLU 18 5.062 15.675 9.910 147 HG2 GLU 18 2HG GLU 18 4.584 14.017 11.424 148 HG3 GLU 18 3HG GLU 18 4.140 15.469 12.320 149 H ARG 19 H ARG 19 5.436 18.383 9.249 150 HA ARG 19 HA ARG 19 7.020 18.846 11.593 151 HB2 ARG 19 2HB ARG 19 8.200 18.540 9.546 152 HB3 ARG 19 3HB ARG 19 7.247 19.774 8.734 153 HG2 ARG 19 2HG ARG 19 8.262 21.478 10.203 154 HG3 ARG 19 3HG ARG 19 9.272 20.219 10.915 155 HD2 ARG 19 2HD ARG 19 9.462 20.094 8.064 156 HD3 ARG 19 3HD ARG 19 9.766 21.747 8.597 157 HE ARG 19 HE ARG 19 11.470 19.488 8.959 158 HH11 ARG 19 1HH1 ARG 19 11.974 22.750 11.224 159 HH12 ARG 19 2HH1 ARG 19 10.487 22.516 10.366 160 HH21 ARG 19 1HH2 ARG 19 13.649 21.196 11.061 161 HH22 ARG 19 2HH2 ARG 19 13.433 19.784 10.083 162 H VAL 20 H VAL 20 4.746 20.700 9.675 163 HA VAL 20 HA VAL 20 5.337 23.228 10.853 164 HB VAL 20 HB VAL 20 4.246 23.074 8.669 165 HG11 VAL 20 1HG1 VAL 20 2.894 21.067 9.138 166 HG12 VAL 20 2HG1 VAL 20 1.843 22.038 10.169 167 HG13 VAL 20 3HG1 VAL 20 1.940 22.375 8.440 168 HG21 VAL 20 1HG2 VAL 20 3.895 25.145 9.682 169 HG22 VAL 20 2HG2 VAL 20 2.274 24.633 9.213 170 HG23 VAL 20 3HG2 VAL 20 2.797 24.475 10.889 171 H SER 21 H SER 21 3.058 20.641 11.556 172 HA SER 21 HA SER 21 1.505 22.050 13.453 173 HB2 SER 21 2HB SER 21 1.965 19.114 12.943 174 HB3 SER 21 3HB SER 21 0.919 19.680 14.246 175 HG SER 21 HG SER 21 -0.561 19.897 12.787 176 H MET 22 H MET 22 4.004 19.554 13.971 177 HA MET 22 HA MET 22 4.182 19.865 16.743 178 HB2 MET 22 2HB MET 22 5.112 17.953 15.449 179 HB3 MET 22 3HB MET 22 6.389 19.010 14.863 180 HG2 MET 22 2HG MET 22 7.138 19.355 17.176 181 HG3 MET 22 3HG MET 22 5.888 18.243 17.728 182 HE1 MET 22 1HE MET 22 9.224 18.884 16.388 183 HE2 MET 22 2HE MET 22 9.956 17.323 16.019 184 HE3 MET 22 3HE MET 22 8.881 18.091 14.850 185 H ALA 23 H ALA 23 5.571 21.706 14.141 186 HA ALA 23 HA ALA 23 7.601 23.008 15.641 187 HB1 ALA 23 1HB ALA 23 6.228 23.715 13.057 188 HB2 ALA 23 2HB ALA 23 7.546 24.664 13.746 189 HB3 ALA 23 3HB ALA 23 7.819 22.985 13.278 190 H THR 24 H THR 24 4.327 24.000 14.660 191 HA THR 24 HA THR 24 4.454 26.459 16.130 192 HB THR 24 HB THR 24 1.831 25.295 15.318 193 HG1 THR 24 HG1 THR 24 2.655 24.913 13.393 194 HG21 THR 24 1HG2 THR 24 1.516 27.663 14.540 195 HG22 THR 24 2HG2 THR 24 3.103 28.029 15.215 196 HG23 THR 24 3HG2 THR 24 1.799 27.488 16.271 197 H ALA 25 H ALA 25 3.543 23.206 16.831 198 HA ALA 25 HA ALA 25 1.946 23.874 19.144 199 HB1 ALA 25 1HB ALA 25 1.548 21.587 19.379 200 HB2 ALA 25 2HB ALA 25 1.674 21.819 17.635 201 HB3 ALA 25 3HB ALA 25 3.033 21.147 18.535 202 H SER 26 H SER 26 5.244 23.610 18.470 203 HA SER 26 HA SER 26 5.857 23.262 21.333 204 HB2 SER 26 2HB SER 26 6.696 21.571 19.417 205 HB3 SER 26 3HB SER 26 7.994 22.762 19.330 206 HG SER 26 HG SER 26 8.763 21.931 21.086 207 H SER 27 H SER 27 5.604 25.515 19.012 208 HA SER 27 HA SER 27 7.990 27.024 19.813 209 HB2 SER 27 2HB SER 27 6.103 27.228 17.480 210 HB3 SER 27 3HB SER 27 7.134 28.588 17.924 211 HG SER 27 HG SER 27 7.823 26.640 16.407 212 H GLN 28 H GLN 28 4.480 27.122 19.824 213 HA GLN 28 HA GLN 28 4.607 29.552 21.486 214 HB2 GLN 28 2HB GLN 28 2.742 28.713 19.331 215 HB3 GLN 28 3HB GLN 28 2.048 29.571 20.699 216 HG2 GLN 28 2HG GLN 28 4.395 30.945 19.878 217 HG3 GLN 28 3HG GLN 28 3.401 30.629 18.457 218 HE21 GLN 28 1HE2 GLN 28 4.047 33.095 20.055 219 HE22 GLN 28 2HE2 GLN 28 2.508 33.802 20.394 220 H VAL 29 H VAL 29 1.976 27.249 20.910 221 HA VAL 29 HA VAL 29 2.176 25.800 23.289 222 HB VAL 29 HB VAL 29 1.776 27.858 24.480 223 HG11 VAL 29 1HG1 VAL 29 0.734 29.134 22.683 224 HG12 VAL 29 2HG1 VAL 29 -0.716 28.135 22.801 225 HG13 VAL 29 3HG1 VAL 29 -0.255 29.183 24.143 226 HG21 VAL 29 1HG2 VAL 29 -0.055 27.196 25.825 227 HG22 VAL 29 2HG2 VAL 29 -0.829 26.350 24.485 228 HG23 VAL 29 3HG2 VAL 29 0.652 25.708 25.196 229 H LEU 30 H LEU 30 0.096 27.231 20.857 230 HA LEU 30 HA LEU 30 -1.584 26.365 19.590 231 HB2 LEU 30 2HB LEU 30 0.098 24.375 19.684 232 HB3 LEU 30 3HB LEU 30 -1.109 23.650 20.744 233 HG LEU 30 HG LEU 30 -2.576 24.465 18.544 234 HD11 LEU 30 1HD1 LEU 30 0.202 23.851 17.763 235 HD12 LEU 30 2HD1 LEU 30 -1.021 24.824 16.948 236 HD13 LEU 30 3HD1 LEU 30 -1.068 23.065 16.825 237 HD21 LEU 30 1HD2 LEU 30 -2.027 21.821 18.066 238 HD22 LEU 30 2HD2 LEU 30 -3.263 22.432 19.166 239 HD23 LEU 30 3HD2 LEU 30 -1.672 21.985 19.786 240 H ILE 31 H ILE 31 -2.807 27.623 21.294 241 HA ILE 31 HA ILE 31 -4.920 25.917 22.318 242 HB ILE 31 HB ILE 31 -4.892 27.006 24.554 243 HG12 ILE 31 2HG1 ILE 31 -2.214 27.750 24.824 244 HG13 ILE 31 3HG1 ILE 31 -2.723 28.480 23.306 245 HG21 ILE 31 1HG2 ILE 31 -2.446 25.411 23.804 246 HG22 ILE 31 2HG2 ILE 31 -3.019 25.668 25.451 247 HG23 ILE 31 3HG2 ILE 31 -4.012 24.772 24.302 248 HD11 ILE 31 1HD1 ILE 31 -2.982 29.848 25.439 249 HD12 ILE 31 2HD1 ILE 31 -4.364 29.768 24.346 250 HD13 ILE 31 3HD1 ILE 31 -4.339 28.783 25.808 251 HA PRO 32 HA PRO 32 -7.471 29.287 21.125 252 HB2 PRO 32 2HB PRO 32 -9.557 28.987 22.836 253 HB3 PRO 32 3HB PRO 32 -9.264 27.894 21.478 254 HG2 PRO 32 2HG PRO 32 -8.587 27.542 24.373 255 HG3 PRO 32 3HG PRO 32 -9.270 26.368 23.233 256 HD2 PRO 32 2HD PRO 32 -6.647 26.390 23.905 257 HD3 PRO 32 3HD PRO 32 -7.217 25.891 22.300 258 H GLU 33 H GLU 33 -7.144 31.378 21.513 259 HA GLU 33 HA GLU 33 -7.179 32.319 24.302 260 HB2 GLU 33 2HB GLU 33 -5.042 32.497 22.357 261 HB3 GLU 33 3HB GLU 33 -5.554 34.097 22.875 262 HG2 GLU 33 2HG GLU 33 -4.944 31.935 24.855 263 HG3 GLU 33 3HG GLU 33 -3.676 32.950 24.171 264 H ILE 34 H ILE 34 -6.865 33.942 21.154 265 HA ILE 34 HA ILE 34 -9.512 35.121 21.468 266 HB ILE 34 HB ILE 34 -8.497 37.406 20.909 267 HG12 ILE 34 2HG1 ILE 34 -6.052 36.025 22.037 268 HG13 ILE 34 3HG1 ILE 34 -6.233 36.626 20.393 269 HG21 ILE 34 1HG2 ILE 34 -8.180 37.943 23.263 270 HG22 ILE 34 2HG2 ILE 34 -9.549 36.853 23.048 271 HG23 ILE 34 3HG2 ILE 34 -8.011 36.229 23.643 272 HD11 ILE 34 1HD1 ILE 34 -4.966 38.248 21.477 273 HD12 ILE 34 2HD1 ILE 34 -6.600 38.912 21.471 274 HD13 ILE 34 3HD1 ILE 34 -5.952 38.176 22.937 275 H ASN 35 H ASN 35 -6.559 34.870 19.533 276 HA ASN 35 HA ASN 35 -8.169 34.520 17.144 277 HB2 ASN 35 2HB ASN 35 -7.559 37.038 17.535 278 HB3 ASN 35 3HB ASN 35 -5.963 36.544 16.975 279 HD21 ASN 35 1HD2 ASN 35 -6.331 38.009 15.217 280 HD22 ASN 35 2HD2 ASN 35 -7.266 37.503 13.855 281 H LEU 36 H LEU 36 -6.265 32.985 18.843 282 HA LEU 36 HA LEU 36 -3.844 32.654 17.380 283 HB2 LEU 36 2HB LEU 36 -4.018 32.085 19.742 284 HB3 LEU 36 3HB LEU 36 -5.201 30.834 19.365 285 HG LEU 36 HG LEU 36 -2.534 30.624 18.079 286 HD11 LEU 36 1HD1 LEU 36 -1.489 30.874 20.051 287 HD12 LEU 36 2HD1 LEU 36 -2.090 29.246 20.362 288 HD13 LEU 36 3HD1 LEU 36 -2.967 30.643 20.985 289 HD21 LEU 36 1HD2 LEU 36 -3.017 28.197 18.764 290 HD22 LEU 36 2HD2 LEU 36 -4.009 28.916 17.495 291 HD23 LEU 36 3HD2 LEU 36 -4.643 28.773 19.136 292 H ASN 37 H ASN 37 -6.973 31.034 17.379 293 HA ASN 37 HA ASN 37 -6.339 28.819 15.811 294 HB2 ASN 37 2HB ASN 37 -8.763 30.215 16.642 295 HB3 ASN 37 3HB ASN 37 -8.918 29.495 15.042 296 HD21 ASN 37 1HD2 ASN 37 -7.499 28.622 18.180 297 HD22 ASN 37 2HD2 ASN 37 -8.157 27.025 18.222 298 H ASP 38 H ASP 38 -7.583 31.994 14.785 299 HA ASP 38 HA ASP 38 -7.660 31.543 12.051 300 HB2 ASP 38 2HB ASP 38 -8.292 33.643 13.581 301 HB3 ASP 38 3HB ASP 38 -6.741 34.218 12.976 302 H THR 39 H THR 39 -4.940 32.168 14.133 303 HA THR 39 HA THR 39 -3.101 32.776 12.014 304 HB THR 39 HB THR 39 -1.720 31.846 14.336 305 HG1 THR 39 HG1 THR 39 -3.839 33.682 14.868 306 HG21 THR 39 1HG2 THR 39 -0.760 33.520 12.971 307 HG22 THR 39 2HG2 THR 39 -1.168 34.326 14.486 308 HG23 THR 39 3HG2 THR 39 -2.199 34.534 13.070 309 H PHE 40 H PHE 40 -3.448 29.996 14.225 310 HA PHE 40 HA PHE 40 -1.541 28.363 13.001 311 HB2 PHE 40 2HB PHE 40 -2.667 28.015 15.251 312 HB3 PHE 40 3HB PHE 40 -4.039 27.357 14.365 313 HD1 PHE 40 HD1 PHE 40 -0.391 26.923 13.786 314 HD2 PHE 40 HD2 PHE 40 -4.082 25.100 14.868 315 HE1 PHE 40 HE1 PHE 40 0.695 24.715 13.757 316 HE2 PHE 40 HE2 PHE 40 -3.002 22.890 14.841 317 HZ PHE 40 HZ PHE 40 -0.611 22.695 14.286 318 H ASP 41 H ASP 41 -4.993 28.747 12.364 319 HA ASP 41 HA ASP 41 -5.346 26.637 10.576 320 HB2 ASP 41 2HB ASP 41 -7.015 28.438 11.616 321 HB3 ASP 41 3HB ASP 41 -6.770 29.199 10.046 322 H THR 42 H THR 42 -4.802 30.068 9.754 323 HA THR 42 HA THR 42 -4.439 29.700 7.016 324 HB THR 42 HB THR 42 -4.571 31.890 8.548 325 HG1 THR 42 HG1 THR 42 -4.853 32.368 6.490 326 HG21 THR 42 1HG2 THR 42 -2.544 33.011 8.840 327 HG22 THR 42 2HG2 THR 42 -1.688 31.954 7.717 328 HG23 THR 42 3HG2 THR 42 -2.163 31.354 9.306 329 H PHE 43 H PHE 43 -2.312 29.052 9.655 330 HA PHE 43 HA PHE 43 0.116 29.076 8.134 331 HB2 PHE 43 2HB PHE 43 -0.117 29.374 10.666 332 HB3 PHE 43 3HB PHE 43 -0.314 27.626 10.741 333 HD1 PHE 43 HD1 PHE 43 1.609 26.902 11.825 334 HD2 PHE 43 HD2 PHE 43 1.939 29.609 8.558 335 HE1 PHE 43 HE1 PHE 43 4.054 26.627 11.849 336 HE2 PHE 43 HE2 PHE 43 4.384 29.338 8.575 337 HZ PHE 43 HZ PHE 43 5.445 27.845 10.222 338 H ALA 44 H ALA 44 -1.883 26.473 9.521 339 HA ALA 44 HA ALA 44 -0.427 24.377 8.280 340 HB1 ALA 44 1HB ALA 44 -1.825 22.966 9.372 341 HB2 ALA 44 2HB ALA 44 -2.172 24.427 10.297 342 HB3 ALA 44 3HB ALA 44 -3.260 23.922 9.004 343 H LEU 45 H LEU 45 -3.519 25.951 7.499 344 HA LEU 45 HA LEU 45 -4.334 24.464 5.351 345 HB2 LEU 45 2HB LEU 45 -5.285 26.644 6.487 346 HB3 LEU 45 3HB LEU 45 -4.487 27.429 5.126 347 HG LEU 45 HG LEU 45 -6.742 27.148 4.498 348 HD11 LEU 45 1HD1 LEU 45 -5.361 24.788 3.248 349 HD12 LEU 45 2HD1 LEU 45 -4.968 26.458 2.841 350 HD13 LEU 45 3HD1 LEU 45 -6.591 25.836 2.540 351 HD21 LEU 45 1HD2 LEU 45 -7.216 25.436 6.281 352 HD22 LEU 45 2HD2 LEU 45 -6.580 24.219 5.174 353 HD23 LEU 45 3HD2 LEU 45 -8.008 25.155 4.730 354 H ASP 46 H ASP 46 -2.376 27.436 5.074 355 HA ASP 46 HA ASP 46 -1.809 27.347 2.395 356 HB2 ASP 46 2HB ASP 46 -0.995 28.912 4.475 357 HB3 ASP 46 3HB ASP 46 0.505 28.085 4.065 358 H PHE 47 H PHE 47 0.075 25.814 4.997 359 HA PHE 47 HA PHE 47 2.050 24.660 3.411 360 HB2 PHE 47 2HB PHE 47 1.049 24.330 6.135 361 HB3 PHE 47 3HB PHE 47 1.681 22.833 5.456 362 HD1 PHE 47 HD1 PHE 47 3.966 23.363 4.011 363 HD2 PHE 47 HD2 PHE 47 2.547 25.469 7.427 364 HE1 PHE 47 HE1 PHE 47 6.260 24.107 4.501 365 HE2 PHE 47 HE2 PHE 47 4.838 26.218 7.921 366 HZ PHE 47 HZ PHE 47 6.698 25.537 6.457 367 H SER 48 H SER 48 -0.918 23.120 4.652 368 HA SER 48 HA SER 48 -0.676 20.674 3.400 369 HB2 SER 48 2HB SER 48 -2.556 21.798 4.991 370 HB3 SER 48 3HB SER 48 -3.414 21.804 3.450 371 HG SER 48 HG SER 48 -3.571 19.850 4.845 372 H ARG 49 H ARG 49 -2.129 23.651 2.132 373 HA ARG 49 HA ARG 49 -3.207 22.816 -0.223 374 HB2 ARG 49 2HB ARG 49 -2.461 25.271 0.871 375 HB3 ARG 49 3HB ARG 49 -1.616 25.203 -0.670 376 HG2 ARG 49 2HG ARG 49 -4.513 24.515 -0.565 377 HG3 ARG 49 3HG ARG 49 -4.015 26.207 -0.516 378 HD2 ARG 49 2HD ARG 49 -2.601 24.738 -2.568 379 HD3 ARG 49 3HD ARG 49 -4.348 24.621 -2.778 380 HE ARG 49 HE ARG 49 -3.477 27.300 -2.285 381 HH11 ARG 49 1HH1 ARG 49 -3.945 25.987 -6.037 382 HH12 ARG 49 2HH1 ARG 49 -3.834 24.852 -4.734 383 HH21 ARG 49 1HH2 ARG 49 -3.824 28.236 -5.615 384 HH22 ARG 49 2HH2 ARG 49 -3.622 28.805 -3.992 385 H GLU 50 H GLU 50 0.221 23.512 0.378 386 HA GLU 50 HA GLU 50 1.003 22.820 -2.297 387 HB2 GLU 50 2HB GLU 50 2.189 24.139 -0.107 388 HB3 GLU 50 3HB GLU 50 3.187 22.728 -0.424 389 HG2 GLU 50 2HG GLU 50 3.481 23.407 -2.725 390 HG3 GLU 50 3HG GLU 50 2.403 24.780 -2.480 391 H LYS 51 H LYS 51 0.844 21.201 0.803 392 HA LYS 51 HA LYS 51 2.427 18.959 0.196 393 HB2 LYS 51 2HB LYS 51 1.805 18.194 2.237 394 HB3 LYS 51 3HB LYS 51 1.191 19.831 2.427 395 HG2 LYS 51 2HG LYS 51 -0.641 18.665 3.085 396 HG3 LYS 51 3HG LYS 51 -0.974 18.762 1.354 397 HD2 LYS 51 2HD LYS 51 0.445 16.517 1.345 398 HD3 LYS 51 3HD LYS 51 -0.141 16.439 3.008 399 HE2 LYS 51 2HE LYS 51 -2.435 16.614 2.232 400 HE3 LYS 51 3HE LYS 51 -1.881 16.786 0.568 401 HZ1 LYS 51 1HZ LYS 51 -0.949 14.561 0.685 402 HZ2 LYS 51 2HZ LYS 51 -2.605 14.530 1.031 403 HZ3 LYS 51 3HZ LYS 51 -1.477 14.395 2.284 404 H LYS 52 H LYS 52 -0.837 19.800 -0.645 405 HA LYS 52 HA LYS 52 -1.620 17.146 -1.414 406 HB2 LYS 52 2HB LYS 52 -3.350 18.651 -0.721 407 HB3 LYS 52 3HB LYS 52 -2.845 19.864 -1.890 408 HG2 LYS 52 2HG LYS 52 -4.837 18.812 -2.686 409 HG3 LYS 52 3HG LYS 52 -3.490 18.308 -3.709 410 HD2 LYS 52 2HD LYS 52 -3.386 16.175 -2.665 411 HD3 LYS 52 3HD LYS 52 -4.488 16.678 -1.380 412 HE2 LYS 52 2HE LYS 52 -6.098 17.127 -3.426 413 HE3 LYS 52 3HE LYS 52 -5.063 15.930 -4.203 414 HZ1 LYS 52 1HZ LYS 52 -5.603 14.339 -2.549 415 HZ2 LYS 52 2HZ LYS 52 -7.064 15.009 -3.074 416 HZ3 LYS 52 3HZ LYS 52 -6.400 15.486 -1.593 417 H LEU 53 H LEU 53 -0.821 20.124 -3.199 418 HA LEU 53 HA LEU 53 -1.057 19.170 -5.777 419 HB2 LEU 53 2HB LEU 53 -0.470 21.528 -4.862 420 HB3 LEU 53 3HB LEU 53 1.199 20.986 -5.027 421 HG LEU 53 HG LEU 53 0.784 20.599 -7.442 422 HD11 LEU 53 1HD1 LEU 53 -1.498 22.233 -7.798 423 HD12 LEU 53 2HD1 LEU 53 -1.919 20.968 -6.645 424 HD13 LEU 53 3HD1 LEU 53 -1.283 20.537 -8.232 425 HD21 LEU 53 1HD2 LEU 53 1.667 22.762 -6.411 426 HD22 LEU 53 2HD2 LEU 53 0.062 23.423 -6.720 427 HD23 LEU 53 3HD2 LEU 53 1.050 22.842 -8.061 428 H LEU 54 H LEU 54 1.419 18.536 -3.427 429 HA LEU 54 HA LEU 54 3.376 17.548 -5.253 430 HB2 LEU 54 2HB LEU 54 3.656 18.369 -2.818 431 HB3 LEU 54 3HB LEU 54 3.187 16.728 -2.378 432 HG LEU 54 HG LEU 54 5.551 17.402 -4.126 433 HD11 LEU 54 1HD1 LEU 54 6.056 18.305 -2.002 434 HD12 LEU 54 2HD1 LEU 54 6.856 16.735 -2.072 435 HD13 LEU 54 3HD1 LEU 54 5.355 16.920 -1.164 436 HD21 LEU 54 1HD2 LEU 54 6.188 15.050 -3.450 437 HD22 LEU 54 2HD2 LEU 54 4.834 15.195 -4.570 438 HD23 LEU 54 3HD2 LEU 54 4.535 14.868 -2.862 439 H GLU 55 H GLU 55 1.312 15.856 -2.880 440 HA GLU 55 HA GLU 55 1.877 13.268 -3.777 441 HB2 GLU 55 2HB GLU 55 0.658 14.075 -1.633 442 HB3 GLU 55 3HB GLU 55 -0.794 14.015 -2.623 443 HG2 GLU 55 2HG GLU 55 -0.959 11.893 -2.000 444 HG3 GLU 55 3HG GLU 55 0.378 11.579 -3.105 445 H CYS 56 H CYS 56 -1.065 15.190 -4.405 446 HA CYS 56 HA CYS 56 -1.283 13.837 -7.007 447 HB2 CYS 56 2HB CYS 56 -3.122 13.702 -4.790 448 HB3 CYS 56 3HB CYS 56 -3.902 14.450 -6.178 449 HG CYS 56 HG CYS 56 -4.365 12.272 -7.450 450 H LEU 57 H LEU 57 -3.296 15.068 -8.184 451 HA LEU 57 HA LEU 57 -2.530 17.911 -8.139 452 HB2 LEU 57 2HB LEU 57 -2.666 16.023 -10.248 453 HB3 LEU 57 3HB LEU 57 -3.935 17.216 -10.520 454 HG LEU 57 HG LEU 57 -1.856 18.854 -10.016 455 HD11 LEU 57 1HD1 LEU 57 -0.261 17.312 -11.768 456 HD12 LEU 57 2HD1 LEU 57 -0.672 16.294 -10.388 457 HD13 LEU 57 3HD1 LEU 57 0.115 17.852 -10.132 458 HD21 LEU 57 1HD2 LEU 57 -2.891 17.634 -12.542 459 HD22 LEU 57 2HD2 LEU 57 -1.560 18.789 -12.593 460 HD23 LEU 57 3HD2 LEU 57 -3.116 19.265 -11.912 461 H ASP 58 H ASP 58 -4.044 19.426 -7.802 462 HA ASP 58 HA ASP 58 -6.850 18.880 -8.234 463 HB2 ASP 58 2HB ASP 58 -5.696 18.529 -5.637 464 HB3 ASP 58 3HB ASP 58 -6.771 19.924 -5.597 465 H TYR 59 H TYR 59 -8.196 20.836 -7.661 466 HA TYR 59 HA TYR 59 -6.668 23.333 -7.745 467 HB2 TYR 59 2HB TYR 59 -7.595 22.323 -10.063 468 HB3 TYR 59 3HB TYR 59 -9.025 23.206 -9.540 469 HD1 TYR 59 HD1 TYR 59 -9.189 25.498 -9.933 470 HD2 TYR 59 HD2 TYR 59 -5.372 23.630 -10.125 471 HE1 TYR 59 HE1 TYR 59 -8.215 27.590 -10.784 472 HE2 TYR 59 HE2 TYR 59 -4.386 25.717 -10.975 473 HH TYR 59 HH TYR 59 -4.890 27.749 -11.895 474 H LEU 60 H LEU 60 -7.326 24.273 -5.916 475 HA LEU 60 HA LEU 60 -8.662 25.102 -4.268 476 HB2 LEU 60 2HB LEU 60 -9.458 26.184 -6.578 477 HB3 LEU 60 3HB LEU 60 -10.954 25.369 -6.125 478 HG LEU 60 HG LEU 60 -10.686 26.616 -3.878 479 HD11 LEU 60 1HD1 LEU 60 -9.399 28.832 -5.233 480 HD12 LEU 60 2HD1 LEU 60 -8.330 27.441 -5.062 481 HD13 LEU 60 3HD1 LEU 60 -9.091 28.148 -3.637 482 HD21 LEU 60 1HD2 LEU 60 -11.728 28.669 -4.903 483 HD22 LEU 60 2HD2 LEU 60 -12.493 27.135 -5.319 484 HD23 LEU 60 3HD2 LEU 60 -11.430 27.935 -6.479 Start of MODEL 13 1 H LEU 1 H LEU 1 10.529 -2.306 1.986 2 HA LEU 1 HA LEU 1 11.416 -1.065 0.035 3 HB2 LEU 1 2HB LEU 1 8.953 -2.278 -1.205 4 HB3 LEU 1 3HB LEU 1 9.917 -1.006 -1.952 5 HG LEU 1 HG LEU 1 11.121 -3.655 -1.211 6 HD11 LEU 1 1HD1 LEU 1 9.564 -2.932 -3.677 7 HD12 LEU 1 2HD1 LEU 1 9.343 -4.316 -2.608 8 HD13 LEU 1 3HD1 LEU 1 10.762 -4.226 -3.652 9 HD21 LEU 1 1HD2 LEU 1 11.898 -1.264 -2.779 10 HD22 LEU 1 2HD2 LEU 1 12.416 -2.835 -3.390 11 HD23 LEU 1 3HD2 LEU 1 12.876 -2.325 -1.765 12 H LYS 2 H LYS 2 10.615 1.043 -0.588 13 HA LYS 2 HA LYS 2 8.072 1.910 0.492 14 HB2 LYS 2 2HB LYS 2 10.474 2.197 2.009 15 HB3 LYS 2 3HB LYS 2 9.959 3.795 1.484 16 HG2 LYS 2 2HG LYS 2 7.959 3.675 2.645 17 HG3 LYS 2 3HG LYS 2 8.003 1.913 2.735 18 HD2 LYS 2 2HD LYS 2 10.289 3.175 4.028 19 HD3 LYS 2 3HD LYS 2 8.745 3.659 4.735 20 HE2 LYS 2 2HE LYS 2 9.578 0.801 4.256 21 HE3 LYS 2 3HE LYS 2 9.768 1.646 5.791 22 HZ1 LYS 2 1HZ LYS 2 7.412 1.897 5.962 23 HZ2 LYS 2 2HZ LYS 2 7.743 0.266 5.662 24 HZ3 LYS 2 3HZ LYS 2 7.167 1.254 4.416 25 H GLU 3 H GLU 3 11.168 3.433 -0.424 26 HA GLU 3 HA GLU 3 9.959 5.544 -1.848 27 HB2 GLU 3 2HB GLU 3 12.400 5.242 -0.914 28 HB3 GLU 3 3HB GLU 3 12.716 4.599 -2.519 29 HG2 GLU 3 2HG GLU 3 12.439 6.615 -3.539 30 HG3 GLU 3 3HG GLU 3 11.310 7.203 -2.319 31 H ASN 4 H ASN 4 9.010 5.554 -3.768 32 HA ASN 4 HA ASN 4 10.003 3.909 -5.932 33 HB2 ASN 4 2HB ASN 4 7.524 3.277 -4.459 34 HB3 ASN 4 3HB ASN 4 7.365 3.302 -6.213 35 HD21 ASN 4 1HD2 ASN 4 8.101 1.628 -7.364 36 HD22 ASN 4 2HD2 ASN 4 8.954 0.278 -6.706 37 H ASP 5 H ASP 5 7.138 5.817 -4.993 38 HA ASP 5 HA ASP 5 7.714 7.924 -6.796 39 HB2 ASP 5 2HB ASP 5 6.309 5.659 -7.893 40 HB3 ASP 5 3HB ASP 5 5.267 7.080 -7.910 41 H HIS 6 H HIS 6 4.621 6.387 -5.934 42 HA HIS 6 HA HIS 6 3.475 8.833 -5.062 43 HB2 HIS 6 2HB HIS 6 2.292 6.708 -5.928 44 HB3 HIS 6 3HB HIS 6 2.447 6.116 -4.276 45 HD1 HIS 6 HD1 HIS 6 -0.217 6.139 -4.281 46 HD2 HIS 6 HD2 HIS 6 1.621 9.860 -4.481 47 HE1 HIS 6 HE1 HIS 6 -2.006 7.805 -3.691 48 H ALA 7 H ALA 7 5.019 6.139 -3.407 49 HA ALA 7 HA ALA 7 4.328 6.702 -0.780 50 HB1 ALA 7 1HB ALA 7 6.635 5.345 -2.075 51 HB2 ALA 7 2HB ALA 7 6.739 5.723 -0.355 52 HB3 ALA 7 3HB ALA 7 5.429 4.707 -0.957 53 H ARG 8 H ARG 8 6.732 8.205 -2.846 54 HA ARG 8 HA ARG 8 7.902 9.739 -0.702 55 HB2 ARG 8 2HB ARG 8 9.316 9.086 -2.551 56 HB3 ARG 8 3HB ARG 8 8.242 9.870 -3.701 57 HG2 ARG 8 2HG ARG 8 9.348 11.772 -3.486 58 HG3 ARG 8 3HG ARG 8 9.059 11.778 -1.745 59 HD2 ARG 8 2HD ARG 8 11.043 10.563 -1.317 60 HD3 ARG 8 3HD ARG 8 11.245 10.155 -3.020 61 HE ARG 8 HE ARG 8 12.051 12.580 -1.712 62 HH11 ARG 8 1HH1 ARG 8 11.971 12.318 -5.706 63 HH12 ARG 8 2HH1 ARG 8 11.136 11.142 -4.747 64 HH21 ARG 8 1HH2 ARG 8 13.121 14.020 -4.691 65 HH22 ARG 8 2HH2 ARG 8 13.155 14.135 -2.964 66 H PHE 9 H PHE 9 5.791 10.400 -3.479 67 HA PHE 9 HA PHE 9 5.519 13.155 -3.101 68 HB2 PHE 9 2HB PHE 9 4.010 11.047 -4.532 69 HB3 PHE 9 3HB PHE 9 3.121 12.523 -4.172 70 HD1 PHE 9 HD1 PHE 9 4.850 14.685 -4.574 71 HD2 PHE 9 HD2 PHE 9 4.754 10.994 -6.692 72 HE1 PHE 9 HE1 PHE 9 5.880 15.779 -6.522 73 HE2 PHE 9 HE2 PHE 9 5.784 12.082 -8.643 74 HZ PHE 9 HZ PHE 9 6.349 14.478 -8.559 75 H LEU 10 H LEU 10 3.535 10.477 -1.873 76 HA LEU 10 HA LEU 10 1.702 12.125 -0.472 77 HB2 LEU 10 2HB LEU 10 1.876 9.455 -1.103 78 HB3 LEU 10 3HB LEU 10 2.111 9.459 0.643 79 HG LEU 10 HG LEU 10 -0.207 10.937 -0.522 80 HD11 LEU 10 1HD1 LEU 10 -1.029 8.328 0.240 81 HD12 LEU 10 2HD1 LEU 10 0.248 8.177 -0.966 82 HD13 LEU 10 3HD1 LEU 10 -1.194 9.125 -1.325 83 HD21 LEU 10 1HD2 LEU 10 0.567 10.909 1.943 84 HD22 LEU 10 2HD2 LEU 10 -0.124 9.286 1.975 85 HD23 LEU 10 3HD2 LEU 10 -1.144 10.672 1.585 86 H GLN 11 H GLN 11 4.621 10.374 0.514 87 HA GLN 11 HA GLN 11 4.514 10.837 3.248 88 HB2 GLN 11 2HB GLN 11 6.144 9.326 2.329 89 HB3 GLN 11 3HB GLN 11 6.897 10.620 1.406 90 HG2 GLN 11 2HG GLN 11 8.238 11.113 3.090 91 HG3 GLN 11 3HG GLN 11 6.868 11.309 4.182 92 HE21 GLN 11 1HE2 GLN 11 5.877 9.105 4.821 93 HE22 GLN 11 2HE2 GLN 11 7.014 7.909 5.332 94 H THR 12 H THR 12 6.015 12.831 0.717 95 HA THR 12 HA THR 12 7.029 14.844 2.360 96 HB THR 12 HB THR 12 6.033 15.017 -0.488 97 HG1 THR 12 HG1 THR 12 8.675 14.846 0.573 98 HG21 THR 12 1HG2 THR 12 7.108 17.068 1.335 99 HG22 THR 12 2HG2 THR 12 6.122 17.244 -0.116 100 HG23 THR 12 3HG2 THR 12 7.862 17.001 -0.257 101 H ALA 13 H ALA 13 3.906 14.705 0.654 102 HA ALA 13 HA ALA 13 2.858 17.140 1.405 103 HB1 ALA 13 1HB ALA 13 1.703 14.527 0.644 104 HB2 ALA 13 2HB ALA 13 0.621 15.679 1.427 105 HB3 ALA 13 3HB ALA 13 1.459 16.126 -0.059 106 H LYS 14 H LYS 14 2.747 14.076 3.193 107 HA LYS 14 HA LYS 14 1.257 15.122 5.380 108 HB2 LYS 14 2HB LYS 14 1.857 12.619 4.556 109 HB3 LYS 14 3HB LYS 14 3.034 12.801 5.851 110 HG2 LYS 14 2HG LYS 14 1.461 12.777 7.472 111 HG3 LYS 14 3HG LYS 14 0.260 13.599 6.473 112 HD2 LYS 14 2HD LYS 14 -0.691 11.658 5.951 113 HD3 LYS 14 3HD LYS 14 0.845 11.027 5.353 114 HE2 LYS 14 2HE LYS 14 1.451 10.473 7.706 115 HE3 LYS 14 3HE LYS 14 -0.172 10.960 8.191 116 HZ1 LYS 14 1HZ LYS 14 0.320 8.488 7.713 117 HZ2 LYS 14 2HZ LYS 14 0.185 8.933 6.087 118 HZ3 LYS 14 3HZ LYS 14 -1.121 9.164 7.138 119 H ASN 15 H ASN 15 4.710 14.471 4.867 120 HA ASN 15 HA ASN 15 5.646 15.160 7.392 121 HB2 ASN 15 2HB ASN 15 6.817 14.315 5.093 122 HB3 ASN 15 3HB ASN 15 7.342 15.996 5.121 123 HD21 ASN 15 1HD2 ASN 15 9.391 15.920 5.738 124 HD22 ASN 15 2HD2 ASN 15 9.983 15.130 7.155 125 H ILE 16 H ILE 16 4.464 17.161 4.835 126 HA ILE 16 HA ILE 16 5.678 19.597 5.696 127 HB ILE 16 HB ILE 16 3.284 19.102 3.927 128 HG12 ILE 16 2HG1 ILE 16 5.853 20.216 2.928 129 HG13 ILE 16 3HG1 ILE 16 5.838 18.510 3.364 130 HG21 ILE 16 1HG2 ILE 16 2.820 21.254 4.409 131 HG22 ILE 16 2HG2 ILE 16 4.450 21.585 4.992 132 HG23 ILE 16 3HG2 ILE 16 4.118 21.578 3.260 133 HD11 ILE 16 1HD1 ILE 16 3.535 18.975 1.817 134 HD12 ILE 16 2HD1 ILE 16 4.881 19.768 0.999 135 HD13 ILE 16 3HD1 ILE 16 4.974 18.051 1.387 136 H THR 17 H THR 17 2.365 18.313 5.967 137 HA THR 17 HA THR 17 1.531 20.426 7.719 138 HB THR 17 HB THR 17 -0.074 17.951 7.692 139 HG1 THR 17 HG1 THR 17 -0.541 18.001 5.560 140 HG21 THR 17 1HG2 THR 17 -0.733 20.818 7.005 141 HG22 THR 17 2HG2 THR 17 -0.855 20.109 8.616 142 HG23 THR 17 3HG2 THR 17 -1.885 19.519 7.312 143 H GLU 18 H GLU 18 3.174 17.473 8.132 144 HA GLU 18 HA GLU 18 2.315 17.054 10.866 145 HB2 GLU 18 2HB GLU 18 2.834 15.134 9.413 146 HB3 GLU 18 3HB GLU 18 4.494 15.694 9.271 147 HG2 GLU 18 2HG GLU 18 4.189 13.844 10.884 148 HG3 GLU 18 3HG GLU 18 4.904 15.293 11.586 149 H ARG 19 H ARG 19 5.136 18.285 9.150 150 HA ARG 19 HA ARG 19 6.770 18.580 11.461 151 HB2 ARG 19 2HB ARG 19 7.865 18.446 9.349 152 HB3 ARG 19 3HB ARG 19 6.903 19.763 8.691 153 HG2 ARG 19 2HG ARG 19 8.006 21.322 10.231 154 HG3 ARG 19 3HG ARG 19 8.993 19.994 10.846 155 HD2 ARG 19 2HD ARG 19 9.137 20.060 7.987 156 HD3 ARG 19 3HD ARG 19 9.505 21.659 8.633 157 HE ARG 19 HE ARG 19 10.929 19.742 10.101 158 HH11 ARG 19 1HH1 ARG 19 12.527 20.890 6.615 159 HH12 ARG 19 2HH1 ARG 19 10.838 21.138 6.913 160 HH21 ARG 19 1HH2 ARG 19 13.842 19.907 8.211 161 HH22 ARG 19 2HH2 ARG 19 13.153 19.410 9.720 162 H VAL 20 H VAL 20 4.461 20.633 9.802 163 HA VAL 20 HA VAL 20 5.133 23.044 11.152 164 HB VAL 20 HB VAL 20 3.913 23.109 9.051 165 HG11 VAL 20 1HG1 VAL 20 1.713 22.292 8.762 166 HG12 VAL 20 2HG1 VAL 20 2.622 20.989 9.530 167 HG13 VAL 20 3HG1 VAL 20 1.522 21.982 10.487 168 HG21 VAL 20 1HG2 VAL 20 2.017 24.608 9.770 169 HG22 VAL 20 2HG2 VAL 20 2.430 24.198 11.435 170 HG23 VAL 20 3HG2 VAL 20 3.604 25.028 10.414 171 H SER 21 H SER 21 2.660 20.558 11.688 172 HA SER 21 HA SER 21 1.308 21.770 13.801 173 HB2 SER 21 2HB SER 21 0.160 19.915 13.115 174 HB3 SER 21 3HB SER 21 1.628 18.987 12.813 175 HG SER 21 HG SER 21 0.642 18.111 14.598 176 H MET 22 H MET 22 4.049 19.503 13.897 177 HA MET 22 HA MET 22 4.329 19.373 16.670 178 HB2 MET 22 2HB MET 22 5.476 17.917 14.965 179 HB3 MET 22 3HB MET 22 6.588 19.246 14.671 180 HG2 MET 22 2HG MET 22 7.444 19.127 16.885 181 HG3 MET 22 3HG MET 22 6.184 17.996 17.372 182 HE1 MET 22 1HE MET 22 8.958 18.825 15.147 183 HE2 MET 22 2HE MET 22 10.094 17.503 15.419 184 HE3 MET 22 3HE MET 22 8.981 17.443 14.051 185 H ALA 23 H ALA 23 5.716 21.638 14.332 186 HA ALA 23 HA ALA 23 7.359 23.033 16.157 187 HB1 ALA 23 1HB ALA 23 6.239 23.682 13.457 188 HB2 ALA 23 2HB ALA 23 7.141 24.888 14.376 189 HB3 ALA 23 3HB ALA 23 7.910 23.366 13.926 190 H THR 24 H THR 24 4.253 24.043 14.711 191 HA THR 24 HA THR 24 3.846 26.302 16.268 192 HB THR 24 HB THR 24 1.458 24.669 15.552 193 HG1 THR 24 HG1 THR 24 1.753 25.173 13.352 194 HG21 THR 24 1HG2 THR 24 2.223 27.499 15.806 195 HG22 THR 24 2HG2 THR 24 0.670 26.714 16.092 196 HG23 THR 24 3HG2 THR 24 1.158 27.132 14.450 197 H ALA 25 H ALA 25 3.356 22.941 17.040 198 HA ALA 25 HA ALA 25 1.770 23.450 19.389 199 HB1 ALA 25 1HB ALA 25 1.815 21.099 19.746 200 HB2 ALA 25 2HB ALA 25 1.631 21.359 18.011 201 HB3 ALA 25 3HB ALA 25 3.200 20.899 18.672 202 H SER 26 H SER 26 5.136 23.205 18.622 203 HA SER 26 HA SER 26 5.859 23.016 21.456 204 HB2 SER 26 2HB SER 26 7.167 22.289 18.927 205 HB3 SER 26 3HB SER 26 8.236 23.080 20.085 206 HG SER 26 HG SER 26 8.108 20.761 20.306 207 H SER 27 H SER 27 5.001 25.384 19.463 208 HA SER 27 HA SER 27 7.092 27.262 20.321 209 HB2 SER 27 2HB SER 27 6.952 27.765 18.112 210 HB3 SER 27 3HB SER 27 5.335 27.079 17.956 211 HG SER 27 HG SER 27 4.836 29.137 17.826 212 H GLN 28 H GLN 28 3.567 26.881 20.154 213 HA GLN 28 HA GLN 28 3.340 28.879 22.308 214 HB2 GLN 28 2HB GLN 28 1.448 28.300 20.028 215 HB3 GLN 28 3HB GLN 28 1.020 29.291 21.416 216 HG2 GLN 28 2HG GLN 28 3.457 30.292 20.431 217 HG3 GLN 28 3HG GLN 28 2.413 30.021 19.037 218 HE21 GLN 28 1HE2 GLN 28 0.748 31.370 18.669 219 HE22 GLN 28 2HE2 GLN 28 0.337 32.714 19.674 220 H VAL 29 H VAL 29 3.446 25.754 21.999 221 HA VAL 29 HA VAL 29 2.677 23.987 23.214 222 HB VAL 29 HB VAL 29 1.026 25.872 24.875 223 HG11 VAL 29 1HG1 VAL 29 0.604 23.752 25.636 224 HG12 VAL 29 2HG1 VAL 29 2.207 23.157 25.198 225 HG13 VAL 29 3HG1 VAL 29 2.001 24.172 26.626 226 HG21 VAL 29 1HG2 VAL 29 4.005 25.453 24.954 227 HG22 VAL 29 2HG2 VAL 29 3.125 26.973 24.794 228 HG23 VAL 29 3HG2 VAL 29 3.085 26.088 26.319 229 H LEU 30 H LEU 30 1.015 25.521 21.063 230 HA LEU 30 HA LEU 30 -1.007 25.329 20.026 231 HB2 LEU 30 2HB LEU 30 0.034 22.907 20.220 232 HB3 LEU 30 3HB LEU 30 -1.378 22.639 21.241 233 HG LEU 30 HG LEU 30 -2.796 23.397 19.310 234 HD11 LEU 30 1HD1 LEU 30 -0.205 23.955 18.212 235 HD12 LEU 30 2HD1 LEU 30 -1.800 24.361 17.580 236 HD13 LEU 30 3HD1 LEU 30 -1.066 22.806 17.188 237 HD21 LEU 30 1HD2 LEU 30 -2.992 21.262 18.578 238 HD22 LEU 30 2HD2 LEU 30 -1.930 20.953 19.952 239 HD23 LEU 30 3HD2 LEU 30 -1.257 21.070 18.325 240 H ILE 31 H ILE 31 -1.453 26.857 22.076 241 HA ILE 31 HA ILE 31 -4.003 25.894 23.162 242 HB ILE 31 HB ILE 31 -3.514 26.979 25.331 243 HG12 ILE 31 2HG1 ILE 31 -0.728 27.039 25.403 244 HG13 ILE 31 3HG1 ILE 31 -1.138 27.814 23.876 245 HG21 ILE 31 1HG2 ILE 31 -1.290 25.061 25.066 246 HG22 ILE 31 2HG2 ILE 31 -2.650 25.076 26.186 247 HG23 ILE 31 3HG2 ILE 31 -2.873 24.494 24.537 248 HD11 ILE 31 1HD1 ILE 31 -1.220 28.892 26.491 249 HD12 ILE 31 2HD1 ILE 31 -1.605 29.678 24.960 250 HD13 ILE 31 3HD1 ILE 31 -2.868 28.845 25.865 251 HA PRO 32 HA PRO 32 -5.585 29.801 21.929 252 HB2 PRO 32 2HB PRO 32 -7.556 30.156 23.762 253 HB3 PRO 32 3HB PRO 32 -7.668 28.980 22.447 254 HG2 PRO 32 2HG PRO 32 -6.928 28.549 25.315 255 HG3 PRO 32 3HG PRO 32 -7.983 27.576 24.274 256 HD2 PRO 32 2HD PRO 32 -5.420 26.884 24.803 257 HD3 PRO 32 3HD PRO 32 -6.209 26.512 23.257 258 H GLU 33 H GLU 33 -6.229 31.996 22.866 259 HA GLU 33 HA GLU 33 -5.343 32.884 25.362 260 HB2 GLU 33 2HB GLU 33 -3.230 32.500 23.442 261 HB3 GLU 33 3HB GLU 33 -3.374 34.206 23.842 262 HG2 GLU 33 2HG GLU 33 -3.402 32.297 26.098 263 HG3 GLU 33 3HG GLU 33 -1.877 32.507 25.240 264 H ILE 34 H ILE 34 -5.287 33.916 21.952 265 HA ILE 34 HA ILE 34 -7.189 36.034 22.609 266 HB ILE 34 HB ILE 34 -4.591 36.568 21.163 267 HG12 ILE 34 2HG1 ILE 34 -4.414 36.375 23.644 268 HG13 ILE 34 3HG1 ILE 34 -4.025 37.982 23.040 269 HG21 ILE 34 1HG2 ILE 34 -7.140 38.011 21.298 270 HG22 ILE 34 2HG2 ILE 34 -5.717 38.994 21.640 271 HG23 ILE 34 3HG2 ILE 34 -5.836 38.115 20.116 272 HD11 ILE 34 1HD1 ILE 34 -6.734 37.259 24.110 273 HD12 ILE 34 2HD1 ILE 34 -5.430 37.886 25.120 274 HD13 ILE 34 3HD1 ILE 34 -6.074 38.865 23.802 275 H ASN 35 H ASN 35 -5.256 34.574 19.999 276 HA ASN 35 HA ASN 35 -7.631 34.077 18.450 277 HB2 ASN 35 2HB ASN 35 -6.420 36.538 18.059 278 HB3 ASN 35 3HB ASN 35 -5.747 35.545 16.770 279 HD21 ASN 35 1HD2 ASN 35 -6.823 36.559 15.129 280 HD22 ASN 35 2HD2 ASN 35 -8.532 36.447 14.906 281 H LEU 36 H LEU 36 -5.385 32.604 19.638 282 HA LEU 36 HA LEU 36 -3.468 31.781 17.815 283 HB2 LEU 36 2HB LEU 36 -3.290 31.103 20.081 284 HB3 LEU 36 3HB LEU 36 -4.857 30.298 20.032 285 HG LEU 36 HG LEU 36 -3.213 29.061 18.087 286 HD11 LEU 36 1HD1 LEU 36 -1.571 28.185 19.988 287 HD12 LEU 36 2HD1 LEU 36 -1.790 29.837 20.564 288 HD13 LEU 36 3HD1 LEU 36 -1.169 29.545 18.939 289 HD21 LEU 36 1HD2 LEU 36 -4.699 27.612 18.968 290 HD22 LEU 36 2HD2 LEU 36 -4.666 28.375 20.558 291 HD23 LEU 36 3HD2 LEU 36 -3.379 27.264 20.085 292 H ASN 37 H ASN 37 -6.811 30.735 18.182 293 HA ASN 37 HA ASN 37 -6.776 28.504 16.512 294 HB2 ASN 37 2HB ASN 37 -8.820 30.329 17.585 295 HB3 ASN 37 3HB ASN 37 -9.270 29.541 16.075 296 HD21 ASN 37 1HD2 ASN 37 -10.672 28.033 16.684 297 HD22 ASN 37 2HD2 ASN 37 -10.370 26.808 17.864 298 H ASP 38 H ASP 38 -7.536 31.888 15.707 299 HA ASP 38 HA ASP 38 -7.973 31.505 12.971 300 HB2 ASP 38 2HB ASP 38 -7.122 33.885 14.602 301 HB3 ASP 38 3HB ASP 38 -7.261 33.991 12.849 302 H THR 39 H THR 39 -5.018 32.600 14.636 303 HA THR 39 HA THR 39 -3.372 32.775 12.399 304 HB THR 39 HB THR 39 -2.046 31.778 14.836 305 HG1 THR 39 HG1 THR 39 -2.531 33.718 15.985 306 HG21 THR 39 1HG2 THR 39 -1.747 34.067 12.920 307 HG22 THR 39 2HG2 THR 39 -0.621 32.756 13.271 308 HG23 THR 39 3HG2 THR 39 -0.867 34.046 14.448 309 H PHE 40 H PHE 40 -3.835 30.032 14.620 310 HA PHE 40 HA PHE 40 -2.059 28.264 13.386 311 HB2 PHE 40 2HB PHE 40 -3.239 28.010 15.636 312 HB3 PHE 40 3HB PHE 40 -4.624 27.416 14.726 313 HD1 PHE 40 HD1 PHE 40 -0.996 26.801 14.201 314 HD2 PHE 40 HD2 PHE 40 -4.783 25.168 15.254 315 HE1 PHE 40 HE1 PHE 40 -0.019 24.542 14.200 316 HE2 PHE 40 HE2 PHE 40 -3.812 22.908 15.255 317 HZ PHE 40 HZ PHE 40 -1.427 22.592 14.728 318 H ASP 41 H ASP 41 -5.395 29.065 12.656 319 HA ASP 41 HA ASP 41 -5.839 26.946 10.814 320 HB2 ASP 41 2HB ASP 41 -7.485 28.676 12.035 321 HB3 ASP 41 3HB ASP 41 -7.320 29.502 10.487 322 H THR 42 H THR 42 -5.343 30.435 10.248 323 HA THR 42 HA THR 42 -5.055 30.269 7.475 324 HB THR 42 HB THR 42 -5.294 32.357 9.029 325 HG1 THR 42 HG1 THR 42 -3.543 32.633 6.813 326 HG21 THR 42 1HG2 THR 42 -2.300 32.319 8.651 327 HG22 THR 42 2HG2 THR 42 -3.107 31.926 10.170 328 HG23 THR 42 3HG2 THR 42 -3.260 33.542 9.482 329 H PHE 43 H PHE 43 -2.812 29.595 10.036 330 HA PHE 43 HA PHE 43 -0.437 29.758 8.463 331 HB2 PHE 43 2HB PHE 43 -0.392 29.956 10.914 332 HB3 PHE 43 3HB PHE 43 -0.944 28.291 11.061 333 HD1 PHE 43 HD1 PHE 43 0.902 27.451 12.286 334 HD2 PHE 43 HD2 PHE 43 1.519 29.458 8.584 335 HE1 PHE 43 HE1 PHE 43 3.237 26.676 12.259 336 HE2 PHE 43 HE2 PHE 43 3.854 28.685 8.550 337 HZ PHE 43 HZ PHE 43 4.716 27.292 10.389 338 H ALA 44 H ALA 44 -2.124 26.934 9.850 339 HA ALA 44 HA ALA 44 -0.706 24.978 8.468 340 HB1 ALA 44 1HB ALA 44 -2.244 24.610 10.404 341 HB2 ALA 44 2HB ALA 44 -3.598 24.769 9.284 342 HB3 ALA 44 3HB ALA 44 -2.437 23.457 9.084 343 H LEU 45 H LEU 45 -3.761 26.575 7.598 344 HA LEU 45 HA LEU 45 -4.482 25.223 5.347 345 HB2 LEU 45 2HB LEU 45 -5.422 27.394 6.504 346 HB3 LEU 45 3HB LEU 45 -4.517 28.199 5.225 347 HG LEU 45 HG LEU 45 -6.737 28.025 4.453 348 HD11 LEU 45 1HD1 LEU 45 -5.270 25.700 3.221 349 HD12 LEU 45 2HD1 LEU 45 -4.965 27.392 2.833 350 HD13 LEU 45 3HD1 LEU 45 -6.537 26.677 2.480 351 HD21 LEU 45 1HD2 LEU 45 -7.054 25.128 4.550 352 HD22 LEU 45 2HD2 LEU 45 -8.180 26.409 4.998 353 HD23 LEU 45 3HD2 LEU 45 -6.950 25.874 6.145 354 H ASP 46 H ASP 46 -2.398 28.121 5.294 355 HA ASP 46 HA ASP 46 -1.685 28.123 2.653 356 HB2 ASP 46 2HB ASP 46 -0.879 29.504 4.893 357 HB3 ASP 46 3HB ASP 46 0.596 28.671 4.410 358 H PHE 47 H PHE 47 -0.145 26.283 5.268 359 HA PHE 47 HA PHE 47 1.929 25.146 3.797 360 HB2 PHE 47 2HB PHE 47 0.655 24.694 6.367 361 HB3 PHE 47 3HB PHE 47 1.164 23.181 5.625 362 HD1 PHE 47 HD1 PHE 47 3.618 23.685 4.335 363 HD2 PHE 47 HD2 PHE 47 2.152 25.380 7.954 364 HE1 PHE 47 HE1 PHE 47 5.929 24.101 5.072 365 HE2 PHE 47 HE2 PHE 47 4.460 25.800 8.696 366 HZ PHE 47 HZ PHE 47 6.352 25.161 7.255 367 H SER 48 H SER 48 -1.328 23.864 4.431 368 HA SER 48 HA SER 48 -1.125 21.451 3.104 369 HB2 SER 48 2HB SER 48 -3.099 22.507 4.460 370 HB3 SER 48 3HB SER 48 -3.643 23.070 2.880 371 HG SER 48 HG SER 48 -3.498 20.834 2.203 372 H ARG 49 H ARG 49 -2.020 24.619 1.774 373 HA ARG 49 HA ARG 49 -2.665 23.936 -0.803 374 HB2 ARG 49 2HB ARG 49 -2.895 26.206 -0.096 375 HB3 ARG 49 3HB ARG 49 -1.174 26.342 0.240 376 HG2 ARG 49 2HG ARG 49 -1.696 27.518 -1.789 377 HG3 ARG 49 3HG ARG 49 -0.715 26.100 -2.170 378 HD2 ARG 49 2HD ARG 49 -2.312 25.247 -3.467 379 HD3 ARG 49 3HD ARG 49 -3.535 25.474 -2.217 380 HE ARG 49 HE ARG 49 -3.097 27.970 -3.283 381 HH11 ARG 49 1HH1 ARG 49 -5.106 25.530 -5.741 382 HH12 ARG 49 2HH1 ARG 49 -4.123 24.865 -4.478 383 HH21 ARG 49 1HH2 ARG 49 -5.254 27.801 -6.004 384 HH22 ARG 49 2HH2 ARG 49 -4.387 28.857 -4.942 385 H GLU 50 H GLU 50 0.570 24.411 0.560 386 HA GLU 50 HA GLU 50 1.947 24.010 -1.897 387 HB2 GLU 50 2HB GLU 50 2.824 25.172 0.196 388 HB3 GLU 50 3HB GLU 50 3.089 23.564 0.856 389 HG2 GLU 50 2HG GLU 50 4.678 23.043 -0.827 390 HG3 GLU 50 3HG GLU 50 4.272 24.491 -1.745 391 H LYS 51 H LYS 51 0.871 21.903 0.687 392 HA LYS 51 HA LYS 51 2.369 19.620 0.042 393 HB2 LYS 51 2HB LYS 51 1.366 19.278 2.049 394 HB3 LYS 51 3HB LYS 51 -0.059 20.213 1.615 395 HG2 LYS 51 2HG LYS 51 0.210 17.678 0.173 396 HG3 LYS 51 3HG LYS 51 0.005 17.516 1.919 397 HD2 LYS 51 2HD LYS 51 -2.128 18.238 1.859 398 HD3 LYS 51 3HD LYS 51 -1.782 19.467 0.640 399 HE2 LYS 51 2HE LYS 51 -3.328 17.528 -0.011 400 HE3 LYS 51 3HE LYS 51 -2.029 17.958 -1.123 401 HZ1 LYS 51 1HZ LYS 51 -2.494 15.476 -0.325 402 HZ2 LYS 51 2HZ LYS 51 -1.399 15.942 0.876 403 HZ3 LYS 51 3HZ LYS 51 -0.953 16.028 -0.753 404 H LYS 52 H LYS 52 -0.573 20.938 -1.312 405 HA LYS 52 HA LYS 52 -1.259 18.600 -2.816 406 HB2 LYS 52 2HB LYS 52 -2.184 21.360 -3.535 407 HB3 LYS 52 3HB LYS 52 -3.050 19.834 -3.660 408 HG2 LYS 52 2HG LYS 52 -2.730 19.937 -1.004 409 HG3 LYS 52 3HG LYS 52 -2.749 21.664 -1.366 410 HD2 LYS 52 2HD LYS 52 -4.857 21.186 -2.721 411 HD3 LYS 52 3HD LYS 52 -4.876 19.612 -1.922 412 HE2 LYS 52 2HE LYS 52 -4.595 21.135 0.234 413 HE3 LYS 52 3HE LYS 52 -5.370 22.324 -0.811 414 HZ1 LYS 52 1HZ LYS 52 -6.607 20.342 0.646 415 HZ2 LYS 52 2HZ LYS 52 -6.704 19.824 -0.961 416 HZ3 LYS 52 3HZ LYS 52 -7.318 21.338 -0.522 417 H LEU 53 H LEU 53 -0.078 21.819 -3.810 418 HA LEU 53 HA LEU 53 0.378 21.284 -6.475 419 HB2 LEU 53 2HB LEU 53 0.539 23.513 -5.599 420 HB3 LEU 53 3HB LEU 53 1.912 23.063 -4.590 421 HG LEU 53 HG LEU 53 2.311 22.677 -7.479 422 HD11 LEU 53 1HD1 LEU 53 1.461 25.267 -6.361 423 HD12 LEU 53 2HD1 LEU 53 1.389 24.661 -8.016 424 HD13 LEU 53 3HD1 LEU 53 2.903 25.299 -7.376 425 HD21 LEU 53 1HD2 LEU 53 4.146 22.316 -6.023 426 HD22 LEU 53 2HD2 LEU 53 3.876 23.847 -5.189 427 HD23 LEU 53 3HD2 LEU 53 4.457 23.840 -6.855 428 H LEU 54 H LEU 54 2.231 20.306 -3.701 429 HA LEU 54 HA LEU 54 4.576 19.561 -5.181 430 HB2 LEU 54 2HB LEU 54 4.770 20.186 -2.858 431 HB3 LEU 54 3HB LEU 54 3.665 18.897 -2.386 432 HG LEU 54 HG LEU 54 6.216 18.605 -2.020 433 HD11 LEU 54 1HD1 LEU 54 4.888 16.326 -3.433 434 HD12 LEU 54 2HD1 LEU 54 4.287 16.901 -1.878 435 HD13 LEU 54 3HD1 LEU 54 5.940 16.302 -2.018 436 HD21 LEU 54 1HD2 LEU 54 6.136 17.529 -4.809 437 HD22 LEU 54 2HD2 LEU 54 7.527 17.917 -3.796 438 HD23 LEU 54 3HD2 LEU 54 6.572 19.213 -4.517 439 H GLU 55 H GLU 55 2.087 17.677 -3.449 440 HA GLU 55 HA GLU 55 2.916 15.173 -4.427 441 HB2 GLU 55 2HB GLU 55 1.299 15.796 -2.471 442 HB3 GLU 55 3HB GLU 55 0.058 15.729 -3.715 443 HG2 GLU 55 2HG GLU 55 1.243 13.397 -4.202 444 HG3 GLU 55 3HG GLU 55 1.643 13.554 -2.493 445 H CYS 56 H CYS 56 -0.045 16.952 -5.321 446 HA CYS 56 HA CYS 56 -1.203 17.096 -7.273 447 HB2 CYS 56 2HB CYS 56 1.307 17.610 -8.008 448 HB3 CYS 56 3HB CYS 56 1.095 16.102 -8.890 449 HG CYS 56 HG CYS 56 0.633 18.101 -10.716 450 H LEU 57 H LEU 57 -2.738 15.575 -7.299 451 HA LEU 57 HA LEU 57 -1.977 12.854 -8.136 452 HB2 LEU 57 2HB LEU 57 -2.832 12.892 -5.875 453 HB3 LEU 57 3HB LEU 57 -4.268 13.767 -6.403 454 HG LEU 57 HG LEU 57 -4.486 11.556 -7.924 455 HD11 LEU 57 1HD1 LEU 57 -3.987 9.880 -5.777 456 HD12 LEU 57 2HD1 LEU 57 -2.559 10.910 -5.864 457 HD13 LEU 57 3HD1 LEU 57 -3.061 9.978 -7.275 458 HD21 LEU 57 1HD2 LEU 57 -5.463 11.250 -5.151 459 HD22 LEU 57 2HD2 LEU 57 -6.333 11.145 -6.682 460 HD23 LEU 57 3HD2 LEU 57 -5.934 12.723 -6.000 461 H ASP 58 H ASP 58 -4.105 15.561 -8.651 462 HA ASP 58 HA ASP 58 -4.896 14.446 -11.214 463 HB2 ASP 58 2HB ASP 58 -6.671 14.508 -8.926 464 HB3 ASP 58 3HB ASP 58 -7.303 15.495 -10.241 465 H TYR 59 H TYR 59 -6.120 17.088 -9.164 466 HA TYR 59 HA TYR 59 -4.737 19.142 -10.529 467 HB2 TYR 59 2HB TYR 59 -6.604 18.232 -12.174 468 HB3 TYR 59 3HB TYR 59 -7.644 19.265 -11.200 469 HD1 TYR 59 HD1 TYR 59 -8.057 21.321 -12.140 470 HD2 TYR 59 HD2 TYR 59 -4.235 19.545 -12.725 471 HE1 TYR 59 HE1 TYR 59 -7.358 23.275 -13.459 472 HE2 TYR 59 HE2 TYR 59 -3.525 21.495 -14.045 473 HH TYR 59 HH TYR 59 -4.153 23.415 -14.977 474 H LEU 60 H LEU 60 -5.464 21.308 -9.864 475 HA LEU 60 HA LEU 60 -5.983 22.790 -8.219 476 HB2 LEU 60 2HB LEU 60 -8.250 22.245 -8.996 477 HB3 LEU 60 3HB LEU 60 -8.328 20.937 -7.817 478 HG LEU 60 HG LEU 60 -7.791 23.064 -6.211 479 HD11 LEU 60 1HD1 LEU 60 -8.131 24.432 -8.413 480 HD12 LEU 60 2HD1 LEU 60 -8.814 25.002 -6.891 481 HD13 LEU 60 3HD1 LEU 60 -9.841 24.179 -8.065 482 HD21 LEU 60 1HD2 LEU 60 -9.496 21.361 -5.848 483 HD22 LEU 60 2HD2 LEU 60 -10.501 22.083 -7.105 484 HD23 LEU 60 3HD2 LEU 60 -10.164 22.978 -5.622 Start of MODEL 14 1 H LEU 1 H LEU 1 4.511 2.655 1.480 2 HA LEU 1 HA LEU 1 6.513 4.164 2.806 3 HB2 LEU 1 2HB LEU 1 5.553 1.330 3.059 4 HB3 LEU 1 3HB LEU 1 6.878 1.955 4.040 5 HG LEU 1 HG LEU 1 5.011 3.820 4.558 6 HD11 LEU 1 1HD1 LEU 1 2.891 2.486 4.989 7 HD12 LEU 1 2HD1 LEU 1 3.538 1.299 3.858 8 HD13 LEU 1 3HD1 LEU 1 3.219 2.947 3.319 9 HD21 LEU 1 1HD2 LEU 1 4.394 1.947 6.440 10 HD22 LEU 1 2HD2 LEU 1 5.808 3.001 6.486 11 HD23 LEU 1 3HD2 LEU 1 5.949 1.363 5.845 12 H LYS 2 H LYS 2 6.581 1.796 0.281 13 HA LYS 2 HA LYS 2 9.503 2.046 0.174 14 HB2 LYS 2 2HB LYS 2 7.914 -0.516 0.046 15 HB3 LYS 2 3HB LYS 2 9.566 -0.392 -0.543 16 HG2 LYS 2 2HG LYS 2 10.448 -0.164 1.565 17 HG3 LYS 2 3HG LYS 2 8.946 0.473 2.240 18 HD2 LYS 2 2HD LYS 2 7.946 -1.811 1.874 19 HD3 LYS 2 3HD LYS 2 9.574 -2.378 1.492 20 HE2 LYS 2 2HE LYS 2 9.872 -0.982 3.871 21 HE3 LYS 2 3HE LYS 2 8.346 -1.843 4.065 22 HZ1 LYS 2 1HZ LYS 2 10.917 -2.866 4.309 23 HZ2 LYS 2 2HZ LYS 2 10.255 -3.567 2.920 24 HZ3 LYS 2 3HZ LYS 2 9.455 -3.712 4.404 25 H GLU 3 H GLU 3 9.347 3.468 -1.555 26 HA GLU 3 HA GLU 3 8.970 2.225 -4.123 27 HB2 GLU 3 2HB GLU 3 6.923 4.003 -2.976 28 HB3 GLU 3 3HB GLU 3 7.439 4.434 -4.601 29 HG2 GLU 3 2HG GLU 3 6.306 1.795 -3.707 30 HG3 GLU 3 3HG GLU 3 5.517 3.002 -4.721 31 H ASN 4 H ASN 4 9.287 3.971 -5.905 32 HA ASN 4 HA ASN 4 11.367 5.846 -4.988 33 HB2 ASN 4 2HB ASN 4 12.255 5.513 -7.406 34 HB3 ASN 4 3HB ASN 4 12.571 4.261 -6.208 35 HD21 ASN 4 1HD2 ASN 4 10.647 5.156 -8.978 36 HD22 ASN 4 2HD2 ASN 4 10.143 3.555 -9.390 37 H ASP 5 H ASP 5 8.793 6.719 -5.013 38 HA ASP 5 HA ASP 5 8.904 8.997 -6.629 39 HB2 ASP 5 2HB ASP 5 7.948 6.708 -8.018 40 HB3 ASP 5 3HB ASP 5 6.575 7.780 -7.754 41 H HIS 6 H HIS 6 6.179 6.848 -5.815 42 HA HIS 6 HA HIS 6 4.678 8.989 -4.668 43 HB2 HIS 6 2HB HIS 6 3.833 6.792 -5.777 44 HB3 HIS 6 3HB HIS 6 4.073 6.088 -4.181 45 HD1 HIS 6 HD1 HIS 6 1.868 5.924 -3.088 46 HD2 HIS 6 HD2 HIS 6 2.275 9.476 -5.204 47 HE1 HIS 6 HE1 HIS 6 -0.254 7.205 -2.665 48 H ALA 7 H ALA 7 6.940 6.667 -3.460 49 HA ALA 7 HA ALA 7 6.177 6.700 -0.734 50 HB1 ALA 7 1HB ALA 7 8.274 5.554 -2.323 51 HB2 ALA 7 2HB ALA 7 8.939 6.244 -0.842 52 HB3 ALA 7 3HB ALA 7 7.652 5.042 -0.754 53 H ARG 8 H ARG 8 8.572 8.568 -2.574 54 HA ARG 8 HA ARG 8 9.401 10.101 -0.301 55 HB2 ARG 8 2HB ARG 8 10.601 11.482 -1.998 56 HB3 ARG 8 3HB ARG 8 10.974 9.766 -2.087 57 HG2 ARG 8 2HG ARG 8 9.718 9.480 -4.046 58 HG3 ARG 8 3HG ARG 8 8.894 11.027 -3.841 59 HD2 ARG 8 2HD ARG 8 11.397 11.922 -3.962 60 HD3 ARG 8 3HD ARG 8 11.607 10.434 -4.885 61 HE ARG 8 HE ARG 8 9.367 11.714 -5.904 62 HH11 ARG 8 1HH1 ARG 8 12.869 13.286 -7.040 63 HH12 ARG 8 2HH1 ARG 8 12.783 12.314 -5.609 64 HH21 ARG 8 1HH2 ARG 8 10.981 13.672 -8.280 65 HH22 ARG 8 2HH2 ARG 8 9.466 12.992 -7.791 66 H PHE 9 H PHE 9 6.929 10.378 -2.713 67 HA PHE 9 HA PHE 9 6.456 13.179 -2.370 68 HB2 PHE 9 2HB PHE 9 5.348 10.999 -3.962 69 HB3 PHE 9 3HB PHE 9 4.109 12.103 -3.375 70 HD1 PHE 9 HD1 PHE 9 7.597 12.948 -4.280 71 HD2 PHE 9 HD2 PHE 9 3.484 13.191 -5.351 72 HE1 PHE 9 HE1 PHE 9 8.162 14.531 -6.078 73 HE2 PHE 9 HE2 PHE 9 4.043 14.773 -7.151 74 HZ PHE 9 HZ PHE 9 6.384 15.444 -7.517 75 H LEU 10 H LEU 10 5.048 10.215 -1.068 76 HA LEU 10 HA LEU 10 2.949 11.509 0.354 77 HB2 LEU 10 2HB LEU 10 3.484 8.944 -0.313 78 HB3 LEU 10 3HB LEU 10 3.958 8.940 1.384 79 HG LEU 10 HG LEU 10 1.276 10.000 0.597 80 HD11 LEU 10 1HD1 LEU 10 2.197 7.269 0.244 81 HD12 LEU 10 2HD1 LEU 10 0.705 8.040 -0.291 82 HD13 LEU 10 3HD1 LEU 10 0.823 7.387 1.343 83 HD21 LEU 10 1HD2 LEU 10 0.889 9.970 2.793 84 HD22 LEU 10 2HD2 LEU 10 2.628 9.742 2.984 85 HD23 LEU 10 3HD2 LEU 10 1.551 8.345 2.971 86 H GLN 11 H GLN 11 6.041 10.087 1.415 87 HA GLN 11 HA GLN 11 5.849 10.831 4.103 88 HB2 GLN 11 2HB GLN 11 7.649 9.422 2.599 89 HB3 GLN 11 3HB GLN 11 8.566 10.873 2.983 90 HG2 GLN 11 2HG GLN 11 8.576 10.438 5.238 91 HG3 GLN 11 3HG GLN 11 7.123 9.443 5.161 92 HE21 GLN 11 1HE2 GLN 11 7.312 7.327 4.206 93 HE22 GLN 11 2HE2 GLN 11 8.813 6.477 4.301 94 H THR 12 H THR 12 6.792 12.639 1.281 95 HA THR 12 HA THR 12 8.001 14.804 2.726 96 HB THR 12 HB THR 12 7.177 14.429 -0.141 97 HG1 THR 12 HG1 THR 12 9.470 14.730 -0.392 98 HG21 THR 12 1HG2 THR 12 6.677 16.707 0.127 99 HG22 THR 12 2HG2 THR 12 8.333 16.695 -0.480 100 HG23 THR 12 3HG2 THR 12 8.025 16.962 1.235 101 H ALA 13 H ALA 13 4.988 14.535 0.830 102 HA ALA 13 HA ALA 13 3.897 16.999 1.404 103 HB1 ALA 13 1HB ALA 13 2.375 16.134 0.041 104 HB2 ALA 13 2HB ALA 13 2.956 14.498 0.356 105 HB3 ALA 13 3HB ALA 13 1.733 15.217 1.404 106 H LYS 14 H LYS 14 3.639 14.006 3.293 107 HA LYS 14 HA LYS 14 1.958 15.112 5.301 108 HB2 LYS 14 2HB LYS 14 2.145 12.682 4.846 109 HB3 LYS 14 3HB LYS 14 3.790 12.711 5.469 110 HG2 LYS 14 2HG LYS 14 3.005 12.336 7.500 111 HG3 LYS 14 3HG LYS 14 2.143 13.876 7.440 112 HD2 LYS 14 2HD LYS 14 0.406 12.471 6.047 113 HD3 LYS 14 3HD LYS 14 1.154 11.116 6.896 114 HE2 LYS 14 2HE LYS 14 0.754 12.427 9.032 115 HE3 LYS 14 3HE LYS 14 -0.264 13.496 8.069 116 HZ1 LYS 14 1HZ LYS 14 -1.438 11.643 9.257 117 HZ2 LYS 14 2HZ LYS 14 -0.685 10.566 8.192 118 HZ3 LYS 14 3HZ LYS 14 -1.744 11.743 7.596 119 H ASN 15 H ASN 15 5.454 14.509 5.119 120 HA ASN 15 HA ASN 15 6.159 15.321 7.679 121 HB2 ASN 15 2HB ASN 15 7.797 14.250 6.304 122 HB3 ASN 15 3HB ASN 15 7.669 15.500 5.070 123 HD21 ASN 15 1HD2 ASN 15 8.291 15.286 8.560 124 HD22 ASN 15 2HD2 ASN 15 9.628 16.381 8.559 125 H ILE 16 H ILE 16 5.191 17.198 4.936 126 HA ILE 16 HA ILE 16 6.274 19.690 5.781 127 HB ILE 16 HB ILE 16 4.005 19.071 3.889 128 HG12 ILE 16 2HG1 ILE 16 6.641 20.180 3.043 129 HG13 ILE 16 3HG1 ILE 16 6.568 18.478 3.488 130 HG21 ILE 16 1HG2 ILE 16 3.469 21.230 4.235 131 HG22 ILE 16 2HG2 ILE 16 5.044 21.619 4.925 132 HG23 ILE 16 3HG2 ILE 16 4.844 21.537 3.175 133 HD11 ILE 16 1HD1 ILE 16 5.833 19.714 1.045 134 HD12 ILE 16 2HD1 ILE 16 5.813 18.002 1.471 135 HD13 ILE 16 3HD1 ILE 16 4.391 19.001 1.767 136 H THR 17 H THR 17 2.973 18.350 5.901 137 HA THR 17 HA THR 17 1.972 20.517 7.479 138 HB THR 17 HB THR 17 0.503 17.941 7.480 139 HG1 THR 17 HG1 THR 17 0.761 19.499 5.107 140 HG21 THR 17 1HG2 THR 17 -1.213 19.313 7.865 141 HG22 THR 17 2HG2 THR 17 -0.865 20.237 6.404 142 HG23 THR 17 3HG2 THR 17 -0.064 20.649 7.919 143 H GLU 18 H GLU 18 3.508 17.496 8.152 144 HA GLU 18 HA GLU 18 2.583 17.308 10.871 145 HB2 GLU 18 2HB GLU 18 3.171 15.291 9.612 146 HB3 GLU 18 3HB GLU 18 4.825 15.864 9.447 147 HG2 GLU 18 2HG GLU 18 5.268 14.680 11.268 148 HG3 GLU 18 3HG GLU 18 4.414 15.936 12.163 149 H ARG 19 H ARG 19 5.487 18.435 9.218 150 HA ARG 19 HA ARG 19 7.003 18.902 11.577 151 HB2 ARG 19 2HB ARG 19 7.977 18.628 9.295 152 HB3 ARG 19 3HB ARG 19 7.320 20.203 8.867 153 HG2 ARG 19 2HG ARG 19 8.723 20.726 11.171 154 HG3 ARG 19 3HG ARG 19 9.721 19.520 10.355 155 HD2 ARG 19 2HD ARG 19 9.446 20.951 8.265 156 HD3 ARG 19 3HD ARG 19 8.823 22.202 9.340 157 HE ARG 19 HE ARG 19 11.549 21.453 8.987 158 HH11 ARG 19 1HH1 ARG 19 10.456 23.437 12.288 159 HH12 ARG 19 2HH1 ARG 19 9.257 22.640 11.324 160 HH21 ARG 19 1HH2 ARG 19 12.662 23.357 11.675 161 HH22 ARG 19 2HH2 ARG 19 13.136 22.499 10.248 162 H VAL 20 H VAL 20 5.061 21.006 9.477 163 HA VAL 20 HA VAL 20 5.554 23.441 10.715 164 HB VAL 20 HB VAL 20 4.344 23.354 8.632 165 HG11 VAL 20 1HG1 VAL 20 1.990 22.190 10.104 166 HG12 VAL 20 2HG1 VAL 20 2.176 22.429 8.366 167 HG13 VAL 20 3HG1 VAL 20 3.143 21.211 9.198 168 HG21 VAL 20 1HG2 VAL 20 2.658 24.476 10.867 169 HG22 VAL 20 2HG2 VAL 20 3.945 25.309 9.996 170 HG23 VAL 20 3HG2 VAL 20 2.458 24.865 9.159 171 H SER 21 H SER 21 3.083 21.009 11.474 172 HA SER 21 HA SER 21 1.755 22.416 13.487 173 HB2 SER 21 2HB SER 21 1.979 19.583 12.666 174 HB3 SER 21 3HB SER 21 1.478 19.855 14.335 175 HG SER 21 HG SER 21 -0.043 19.955 12.236 176 H MET 22 H MET 22 4.299 19.940 13.849 177 HA MET 22 HA MET 22 4.618 20.188 16.610 178 HB2 MET 22 2HB MET 22 6.433 19.252 14.408 179 HB3 MET 22 3HB MET 22 7.009 19.333 16.068 180 HG2 MET 22 2HG MET 22 4.818 17.964 16.546 181 HG3 MET 22 3HG MET 22 4.984 17.538 14.844 182 HE1 MET 22 1HE MET 22 8.596 17.387 14.881 183 HE2 MET 22 2HE MET 22 8.229 15.694 14.550 184 HE3 MET 22 3HE MET 22 7.223 16.967 13.856 185 H ALA 23 H ALA 23 5.870 22.113 13.982 186 HA ALA 23 HA ALA 23 7.896 23.461 15.441 187 HB1 ALA 23 1HB ALA 23 8.373 24.011 13.340 188 HB2 ALA 23 2HB ALA 23 6.753 23.580 12.791 189 HB3 ALA 23 3HB ALA 23 7.068 25.194 13.430 190 H THR 24 H THR 24 4.616 24.476 14.474 191 HA THR 24 HA THR 24 4.568 26.947 15.723 192 HB THR 24 HB THR 24 2.055 25.378 15.855 193 HG1 THR 24 HG1 THR 24 2.489 24.556 13.930 194 HG21 THR 24 1HG2 THR 24 1.689 27.607 14.277 195 HG22 THR 24 2HG2 THR 24 2.941 28.120 15.408 196 HG23 THR 24 3HG2 THR 24 1.400 27.515 16.013 197 H ALA 25 H ALA 25 3.787 23.761 17.057 198 HA ALA 25 HA ALA 25 2.908 24.675 19.582 199 HB1 ALA 25 1HB ALA 25 4.127 22.060 19.701 200 HB2 ALA 25 2HB ALA 25 2.437 22.525 19.896 201 HB3 ALA 25 3HB ALA 25 3.088 22.221 18.285 202 H SER 26 H SER 26 6.027 23.249 18.595 203 HA SER 26 HA SER 26 7.303 23.665 21.075 204 HB2 SER 26 2HB SER 26 8.261 22.059 19.602 205 HB3 SER 26 3HB SER 26 8.375 23.228 18.286 206 HG SER 26 HG SER 26 9.930 23.038 20.630 207 H SER 27 H SER 27 6.408 25.839 18.648 208 HA SER 27 HA SER 27 8.470 27.786 19.376 209 HB2 SER 27 2HB SER 27 6.392 27.774 17.179 210 HB3 SER 27 3HB SER 27 7.469 29.133 17.499 211 HG SER 27 HG SER 27 8.515 26.550 17.108 212 H GLN 28 H GLN 28 5.167 27.017 19.922 213 HA GLN 28 HA GLN 28 4.894 29.421 21.570 214 HB2 GLN 28 2HB GLN 28 3.064 28.566 19.354 215 HB3 GLN 28 3HB GLN 28 2.422 29.439 20.739 216 HG2 GLN 28 2HG GLN 28 4.342 31.118 20.218 217 HG3 GLN 28 3HG GLN 28 4.307 30.363 18.625 218 HE21 GLN 28 1HE2 GLN 28 3.295 32.963 20.174 219 HE22 GLN 28 2HE2 GLN 28 1.795 33.267 19.374 220 H VAL 29 H VAL 29 2.552 26.929 20.632 221 HA VAL 29 HA VAL 29 2.828 25.273 22.869 222 HB VAL 29 HB VAL 29 2.121 27.164 24.207 223 HG11 VAL 29 1HG1 VAL 29 0.961 28.429 22.471 224 HG12 VAL 29 2HG1 VAL 29 -0.337 27.235 22.459 225 HG13 VAL 29 3HG1 VAL 29 -0.060 28.222 23.894 226 HG21 VAL 29 1HG2 VAL 29 -0.061 25.105 23.887 227 HG22 VAL 29 2HG2 VAL 29 1.360 24.979 24.925 228 HG23 VAL 29 3HG2 VAL 29 0.120 26.185 25.270 229 H LEU 30 H LEU 30 0.699 26.687 20.469 230 HA LEU 30 HA LEU 30 -0.798 25.760 19.028 231 HB2 LEU 30 2HB LEU 30 1.109 23.975 19.050 232 HB3 LEU 30 3HB LEU 30 -0.064 23.015 19.949 233 HG LEU 30 HG LEU 30 -1.477 23.895 17.732 234 HD11 LEU 30 1HD1 LEU 30 1.399 23.543 17.089 235 HD12 LEU 30 2HD1 LEU 30 0.191 24.595 16.351 236 HD13 LEU 30 3HD1 LEU 30 0.211 22.873 15.971 237 HD21 LEU 30 1HD2 LEU 30 -0.014 21.274 17.971 238 HD22 LEU 30 2HD2 LEU 30 -1.531 21.596 17.131 239 HD23 LEU 30 3HD2 LEU 30 -1.465 21.667 18.893 240 H ILE 31 H ILE 31 -2.200 26.699 20.833 241 HA ILE 31 HA ILE 31 -4.175 24.683 21.521 242 HB ILE 31 HB ILE 31 -4.348 25.449 23.871 243 HG12 ILE 31 2HG1 ILE 31 -1.822 26.461 24.423 244 HG13 ILE 31 3HG1 ILE 31 -2.288 27.297 22.946 245 HG21 ILE 31 1HG2 ILE 31 -3.180 23.389 23.359 246 HG22 ILE 31 2HG2 ILE 31 -1.685 24.279 23.079 247 HG23 ILE 31 3HG2 ILE 31 -2.384 24.218 24.697 248 HD11 ILE 31 1HD1 ILE 31 -2.889 28.230 25.338 249 HD12 ILE 31 2HD1 ILE 31 -3.972 28.432 23.960 250 HD13 ILE 31 3HD1 ILE 31 -4.275 27.157 25.140 251 HA PRO 32 HA PRO 32 -6.995 27.925 20.615 252 HB2 PRO 32 2HB PRO 32 -9.115 27.208 22.152 253 HB3 PRO 32 3HB PRO 32 -8.652 26.335 20.686 254 HG2 PRO 32 2HG PRO 32 -8.073 25.672 23.547 255 HG3 PRO 32 3HG PRO 32 -8.582 24.598 22.231 256 HD2 PRO 32 2HD PRO 32 -6.008 24.780 23.050 257 HD3 PRO 32 3HD PRO 32 -6.452 24.444 21.364 258 H GLU 33 H GLU 33 -7.491 29.940 21.317 259 HA GLU 33 HA GLU 33 -7.585 30.506 24.174 260 HB2 GLU 33 2HB GLU 33 -5.332 31.165 22.469 261 HB3 GLU 33 3HB GLU 33 -6.050 32.610 23.166 262 HG2 GLU 33 2HG GLU 33 -5.475 30.283 24.931 263 HG3 GLU 33 3HG GLU 33 -4.150 31.323 24.410 264 H ILE 34 H ILE 34 -7.178 32.568 21.307 265 HA ILE 34 HA ILE 34 -9.960 33.404 21.451 266 HB ILE 34 HB ILE 34 -7.704 35.383 21.794 267 HG12 ILE 34 2HG1 ILE 34 -9.939 34.562 23.662 268 HG13 ILE 34 3HG1 ILE 34 -8.233 34.177 23.860 269 HG21 ILE 34 1HG2 ILE 34 -9.455 36.267 20.362 270 HG22 ILE 34 2HG2 ILE 34 -10.676 35.827 21.554 271 HG23 ILE 34 3HG2 ILE 34 -9.483 37.069 21.932 272 HD11 ILE 34 1HD1 ILE 34 -7.747 36.579 24.070 273 HD12 ILE 34 2HD1 ILE 34 -9.475 36.914 23.957 274 HD13 ILE 34 3HD1 ILE 34 -8.844 35.988 25.318 275 H ASN 35 H ASN 35 -7.027 34.854 20.049 276 HA ASN 35 HA ASN 35 -8.270 34.570 17.396 277 HB2 ASN 35 2HB ASN 35 -7.678 36.894 18.402 278 HB3 ASN 35 3HB ASN 35 -6.019 36.467 17.994 279 HD21 ASN 35 1HD2 ASN 35 -5.414 37.372 16.178 280 HD22 ASN 35 2HD2 ASN 35 -6.387 37.587 14.767 281 H LEU 36 H LEU 36 -6.722 32.509 18.765 282 HA LEU 36 HA LEU 36 -4.223 32.425 17.257 283 HB2 LEU 36 2HB LEU 36 -4.231 31.845 19.655 284 HB3 LEU 36 3HB LEU 36 -5.314 30.500 19.304 285 HG LEU 36 HG LEU 36 -2.727 30.565 17.856 286 HD11 LEU 36 1HD1 LEU 36 -1.468 30.694 19.678 287 HD12 LEU 36 2HD1 LEU 36 -2.191 29.179 20.216 288 HD13 LEU 36 3HD1 LEU 36 -2.886 30.717 20.727 289 HD21 LEU 36 1HD2 LEU 36 -3.813 28.659 17.296 290 HD22 LEU 36 2HD2 LEU 36 -4.728 28.604 18.803 291 HD23 LEU 36 3HD2 LEU 36 -3.046 28.071 18.772 292 H ASN 37 H ASN 37 -7.297 30.730 17.551 293 HA ASN 37 HA ASN 37 -6.763 28.539 15.911 294 HB2 ASN 37 2HB ASN 37 -8.957 29.479 17.290 295 HB3 ASN 37 3HB ASN 37 -9.472 29.613 15.611 296 HD21 ASN 37 1HD2 ASN 37 -8.747 27.503 18.213 297 HD22 ASN 37 2HD2 ASN 37 -9.171 26.025 17.425 298 H ASP 38 H ASP 38 -7.151 31.853 15.122 299 HA ASP 38 HA ASP 38 -7.851 31.398 12.355 300 HB2 ASP 38 2HB ASP 38 -8.686 33.402 13.439 301 HB3 ASP 38 3HB ASP 38 -7.047 33.908 13.838 302 H THR 39 H THR 39 -5.023 32.740 14.062 303 HA THR 39 HA THR 39 -3.357 33.026 11.851 304 HB THR 39 HB THR 39 -1.911 32.175 14.240 305 HG1 THR 39 HG1 THR 39 -3.194 33.098 15.641 306 HG21 THR 39 1HG2 THR 39 -2.059 34.650 12.535 307 HG22 THR 39 2HG2 THR 39 -0.756 33.467 12.641 308 HG23 THR 39 3HG2 THR 39 -1.060 34.568 13.985 309 H PHE 40 H PHE 40 -3.626 30.280 14.101 310 HA PHE 40 HA PHE 40 -1.696 28.653 12.892 311 HB2 PHE 40 2HB PHE 40 -2.743 28.290 15.148 312 HB3 PHE 40 3HB PHE 40 -4.181 27.698 14.322 313 HD1 PHE 40 HD1 PHE 40 -0.585 27.105 13.585 314 HD2 PHE 40 HD2 PHE 40 -4.305 25.443 14.815 315 HE1 PHE 40 HE1 PHE 40 0.398 24.851 13.500 316 HE2 PHE 40 HE2 PHE 40 -3.328 23.187 14.733 317 HZ PHE 40 HZ PHE 40 -0.973 22.888 14.076 318 H ASP 41 H ASP 41 -5.162 28.977 12.288 319 HA ASP 41 HA ASP 41 -5.494 26.852 10.515 320 HB2 ASP 41 2HB ASP 41 -6.969 29.258 11.252 321 HB3 ASP 41 3HB ASP 41 -7.195 28.824 9.559 322 H THR 42 H THR 42 -5.030 30.288 9.667 323 HA THR 42 HA THR 42 -4.682 29.901 6.927 324 HB THR 42 HB THR 42 -4.887 32.103 8.418 325 HG1 THR 42 HG1 THR 42 -3.467 32.068 5.946 326 HG21 THR 42 1HG2 THR 42 -1.997 32.251 7.623 327 HG22 THR 42 2HG2 THR 42 -2.471 31.651 9.212 328 HG23 THR 42 3HG2 THR 42 -2.901 33.290 8.725 329 H PHE 43 H PHE 43 -2.514 29.364 9.561 330 HA PHE 43 HA PHE 43 -0.099 29.445 8.025 331 HB2 PHE 43 2HB PHE 43 -0.252 29.795 10.522 332 HB3 PHE 43 3HB PHE 43 -0.533 28.064 10.677 333 HD1 PHE 43 HD1 PHE 43 1.364 27.324 11.806 334 HD2 PHE 43 HD2 PHE 43 1.795 29.809 8.377 335 HE1 PHE 43 HE1 PHE 43 3.793 26.933 11.833 336 HE2 PHE 43 HE2 PHE 43 4.225 29.421 8.398 337 HZ PHE 43 HZ PHE 43 5.227 27.981 10.127 338 H ALA 44 H ALA 44 -1.984 26.786 9.469 339 HA ALA 44 HA ALA 44 -0.474 24.731 8.229 340 HB1 ALA 44 1HB ALA 44 -1.674 23.385 9.537 341 HB2 ALA 44 2HB ALA 44 -2.411 24.847 10.193 342 HB3 ALA 44 3HB ALA 44 -3.200 23.976 8.878 343 H LEU 45 H LEU 45 -3.624 26.191 7.465 344 HA LEU 45 HA LEU 45 -4.427 24.656 5.351 345 HB2 LEU 45 2HB LEU 45 -5.970 26.248 5.849 346 HB3 LEU 45 3HB LEU 45 -4.758 27.506 6.078 347 HG LEU 45 HG LEU 45 -4.561 27.788 3.673 348 HD11 LEU 45 1HD1 LEU 45 -4.952 25.902 2.507 349 HD12 LEU 45 2HD1 LEU 45 -6.602 26.522 2.454 350 HD13 LEU 45 3HD1 LEU 45 -6.153 25.311 3.655 351 HD21 LEU 45 1HD2 LEU 45 -6.620 28.874 3.291 352 HD22 LEU 45 2HD2 LEU 45 -6.353 28.952 5.033 353 HD23 LEU 45 3HD2 LEU 45 -7.487 27.777 4.367 354 H ASP 46 H ASP 46 -2.466 27.623 5.044 355 HA ASP 46 HA ASP 46 -1.946 27.521 2.346 356 HB2 ASP 46 2HB ASP 46 -1.129 29.120 4.396 357 HB3 ASP 46 3HB ASP 46 0.376 28.300 3.988 358 H PHE 47 H PHE 47 -0.016 26.040 4.945 359 HA PHE 47 HA PHE 47 1.948 24.883 3.345 360 HB2 PHE 47 2HB PHE 47 1.015 24.616 6.090 361 HB3 PHE 47 3HB PHE 47 1.598 23.088 5.438 362 HD1 PHE 47 HD1 PHE 47 3.844 23.594 3.876 363 HD2 PHE 47 HD2 PHE 47 2.581 25.692 7.358 364 HE1 PHE 47 HE1 PHE 47 6.164 24.302 4.287 365 HE2 PHE 47 HE2 PHE 47 4.899 26.404 7.774 366 HZ PHE 47 HZ PHE 47 6.694 25.710 6.237 367 H SER 48 H SER 48 -0.931 23.276 4.710 368 HA SER 48 HA SER 48 -0.679 20.843 3.435 369 HB2 SER 48 2HB SER 48 -2.416 21.660 5.196 370 HB3 SER 48 3HB SER 48 -3.388 22.095 3.790 371 HG SER 48 HG SER 48 -3.031 19.853 3.102 372 H ARG 49 H ARG 49 -2.278 23.781 2.259 373 HA ARG 49 HA ARG 49 -3.466 22.935 -0.034 374 HB2 ARG 49 2HB ARG 49 -3.319 25.303 0.873 375 HB3 ARG 49 3HB ARG 49 -1.768 25.426 0.052 376 HG2 ARG 49 2HG ARG 49 -3.159 24.659 -2.031 377 HG3 ARG 49 3HG ARG 49 -4.513 25.284 -1.087 378 HD2 ARG 49 2HD ARG 49 -3.591 27.453 -1.015 379 HD3 ARG 49 3HD ARG 49 -2.017 26.885 -1.571 380 HE ARG 49 HE ARG 49 -4.247 27.615 -3.194 381 HH11 ARG 49 1HH1 ARG 49 -1.310 25.374 -4.734 382 HH12 ARG 49 2HH1 ARG 49 -1.473 25.520 -3.015 383 HH21 ARG 49 1HH2 ARG 49 -2.771 26.462 -6.122 384 HH22 ARG 49 2HH2 ARG 49 -4.043 27.431 -5.458 385 H GLU 50 H GLU 50 -0.020 23.684 0.368 386 HA GLU 50 HA GLU 50 0.613 22.985 -2.348 387 HB2 GLU 50 2HB GLU 50 1.963 24.207 -0.111 388 HB3 GLU 50 3HB GLU 50 2.971 22.951 -0.816 389 HG2 GLU 50 2HG GLU 50 2.426 24.074 -3.064 390 HG3 GLU 50 3HG GLU 50 1.916 25.446 -2.082 391 H LYS 51 H LYS 51 0.697 21.406 0.779 392 HA LYS 51 HA LYS 51 2.282 19.189 0.086 393 HB2 LYS 51 2HB LYS 51 1.833 18.445 2.179 394 HB3 LYS 51 3HB LYS 51 1.195 20.070 2.391 395 HG2 LYS 51 2HG LYS 51 -0.551 18.866 3.203 396 HG3 LYS 51 3HG LYS 51 -1.019 18.940 1.503 397 HD2 LYS 51 2HD LYS 51 0.467 16.726 1.422 398 HD3 LYS 51 3HD LYS 51 -0.037 16.650 3.112 399 HE2 LYS 51 2HE LYS 51 -2.356 16.718 2.475 400 HE3 LYS 51 3HE LYS 51 -1.926 16.984 0.786 401 HZ1 LYS 51 1HZ LYS 51 -2.539 14.618 1.622 402 HZ2 LYS 51 2HZ LYS 51 -0.935 14.581 2.156 403 HZ3 LYS 51 3HZ LYS 51 -1.274 14.818 0.516 404 H LYS 52 H LYS 52 -1.051 19.953 -0.524 405 HA LYS 52 HA LYS 52 -1.838 17.273 -1.191 406 HB2 LYS 52 2HB LYS 52 -3.547 18.750 -0.405 407 HB3 LYS 52 3HB LYS 52 -3.139 19.963 -1.611 408 HG2 LYS 52 2HG LYS 52 -5.168 18.861 -2.253 409 HG3 LYS 52 3HG LYS 52 -3.886 18.405 -3.377 410 HD2 LYS 52 2HD LYS 52 -3.640 16.269 -2.354 411 HD3 LYS 52 3HD LYS 52 -4.671 16.732 -0.997 412 HE2 LYS 52 2HE LYS 52 -6.376 17.161 -3.023 413 HE3 LYS 52 3HE LYS 52 -5.391 15.885 -3.738 414 HZ1 LYS 52 1HZ LYS 52 -7.086 14.758 -2.650 415 HZ2 LYS 52 2HZ LYS 52 -7.054 15.778 -1.301 416 HZ3 LYS 52 3HZ LYS 52 -5.803 14.666 -1.550 417 H LEU 53 H LEU 53 -1.290 20.235 -3.098 418 HA LEU 53 HA LEU 53 -1.658 19.187 -5.626 419 HB2 LEU 53 2HB LEU 53 -1.376 21.555 -5.231 420 HB3 LEU 53 3HB LEU 53 0.290 21.300 -4.718 421 HG LEU 53 HG LEU 53 -0.464 20.477 -7.475 422 HD11 LEU 53 1HD1 LEU 53 -1.502 22.701 -7.171 423 HD12 LEU 53 2HD1 LEU 53 -0.182 22.706 -8.340 424 HD13 LEU 53 3HD1 LEU 53 0.076 23.344 -6.716 425 HD21 LEU 53 1HD2 LEU 53 1.941 21.238 -5.946 426 HD22 LEU 53 2HD2 LEU 53 1.892 21.763 -7.629 427 HD23 LEU 53 3HD2 LEU 53 1.739 20.050 -7.234 428 H LEU 54 H LEU 54 0.989 18.738 -3.435 429 HA LEU 54 HA LEU 54 2.894 17.837 -5.354 430 HB2 LEU 54 2HB LEU 54 3.643 18.669 -3.232 431 HB3 LEU 54 3HB LEU 54 2.696 17.456 -2.372 432 HG LEU 54 HG LEU 54 4.834 16.542 -4.237 433 HD11 LEU 54 1HD1 LEU 54 6.027 18.212 -3.034 434 HD12 LEU 54 2HD1 LEU 54 6.436 16.654 -2.316 435 HD13 LEU 54 3HD1 LEU 54 5.292 17.725 -1.506 436 HD21 LEU 54 1HD2 LEU 54 5.024 14.931 -2.183 437 HD22 LEU 54 2HD2 LEU 54 3.719 14.738 -3.354 438 HD23 LEU 54 3HD2 LEU 54 3.411 15.543 -1.814 439 H GLU 55 H GLU 55 1.071 16.038 -2.864 440 HA GLU 55 HA GLU 55 1.709 13.491 -3.880 441 HB2 GLU 55 2HB GLU 55 0.576 14.356 -1.597 442 HB3 GLU 55 3HB GLU 55 -0.867 13.825 -2.450 443 HG2 GLU 55 2HG GLU 55 0.892 11.742 -2.827 444 HG3 GLU 55 3HG GLU 55 1.226 12.270 -1.179 445 H CYS 56 H CYS 56 -1.301 15.381 -4.158 446 HA CYS 56 HA CYS 56 -2.063 13.686 -6.437 447 HB2 CYS 56 2HB CYS 56 -3.534 14.202 -4.239 448 HB3 CYS 56 3HB CYS 56 -4.043 15.548 -5.251 449 HG CYS 56 HG CYS 56 -5.482 14.203 -6.966 450 H LEU 57 H LEU 57 -2.663 14.592 -8.387 451 HA LEU 57 HA LEU 57 -1.741 17.339 -8.797 452 HB2 LEU 57 2HB LEU 57 -1.407 14.981 -10.237 453 HB3 LEU 57 3HB LEU 57 -2.551 15.927 -11.188 454 HG LEU 57 HG LEU 57 -0.524 17.722 -10.536 455 HD11 LEU 57 1HD1 LEU 57 0.978 16.029 -9.819 456 HD12 LEU 57 2HD1 LEU 57 1.482 16.514 -11.438 457 HD13 LEU 57 3HD1 LEU 57 0.593 15.009 -11.206 458 HD21 LEU 57 1HD2 LEU 57 -0.829 16.127 -13.076 459 HD22 LEU 57 2HD2 LEU 57 -0.095 17.721 -12.898 460 HD23 LEU 57 3HD2 LEU 57 -1.828 17.514 -12.640 461 H ASP 58 H ASP 58 -3.069 18.113 -11.018 462 HA ASP 58 HA ASP 58 -4.985 19.090 -11.759 463 HB2 ASP 58 2HB ASP 58 -5.672 16.561 -11.587 464 HB3 ASP 58 3HB ASP 58 -6.652 17.123 -10.234 465 H TYR 59 H TYR 59 -3.926 20.425 -9.743 466 HA TYR 59 HA TYR 59 -4.311 21.888 -8.042 467 HB2 TYR 59 2HB TYR 59 -6.451 22.078 -9.837 468 HB3 TYR 59 3HB TYR 59 -7.196 22.049 -8.243 469 HD1 TYR 59 HD1 TYR 59 -4.451 23.742 -10.124 470 HD2 TYR 59 HD2 TYR 59 -7.371 24.024 -7.041 471 HE1 TYR 59 HE1 TYR 59 -3.904 26.122 -9.832 472 HE2 TYR 59 HE2 TYR 59 -6.833 26.406 -6.742 473 HH TYR 59 HH TYR 59 -4.197 27.821 -7.636 474 H LEU 60 H LEU 60 -6.250 22.294 -6.215 475 HA LEU 60 HA LEU 60 -5.835 20.334 -4.307 476 HB2 LEU 60 2HB LEU 60 -8.021 22.377 -4.594 477 HB3 LEU 60 3HB LEU 60 -7.880 21.331 -3.183 478 HG LEU 60 HG LEU 60 -5.361 22.506 -3.481 479 HD11 LEU 60 1HD1 LEU 60 -6.018 24.224 -4.906 480 HD12 LEU 60 2HD1 LEU 60 -6.122 24.955 -3.304 481 HD13 LEU 60 3HD1 LEU 60 -7.587 24.407 -4.121 482 HD21 LEU 60 1HD2 LEU 60 -6.543 23.933 -1.496 483 HD22 LEU 60 2HD2 LEU 60 -5.891 22.305 -1.308 484 HD23 LEU 60 3HD2 LEU 60 -7.615 22.536 -1.601 Start of MODEL 15 1 H LEU 1 H LEU 1 13.729 -5.954 -4.512 2 HA LEU 1 HA LEU 1 12.154 -4.527 -5.434 3 HB2 LEU 1 2HB LEU 1 10.098 -6.101 -3.893 4 HB3 LEU 1 3HB LEU 1 9.781 -4.876 -5.120 5 HG LEU 1 HG LEU 1 11.087 -7.552 -5.611 6 HD11 LEU 1 1HD1 LEU 1 9.081 -8.373 -6.321 7 HD12 LEU 1 2HD1 LEU 1 8.442 -6.780 -6.723 8 HD13 LEU 1 3HD1 LEU 1 8.525 -7.297 -5.039 9 HD21 LEU 1 1HD2 LEU 1 11.203 -5.180 -7.101 10 HD22 LEU 1 2HD2 LEU 1 10.040 -6.218 -7.927 11 HD23 LEU 1 3HD2 LEU 1 11.676 -6.800 -7.615 12 H LYS 2 H LYS 2 11.652 -2.520 -4.710 13 HA LYS 2 HA LYS 2 10.683 -1.914 -2.132 14 HB2 LYS 2 2HB LYS 2 13.320 -2.576 -2.002 15 HB3 LYS 2 3HB LYS 2 13.426 -0.840 -2.268 16 HG2 LYS 2 2HG LYS 2 11.913 -0.506 -0.330 17 HG3 LYS 2 3HG LYS 2 11.983 -2.244 -0.030 18 HD2 LYS 2 2HD LYS 2 14.540 -1.912 -0.002 19 HD3 LYS 2 3HD LYS 2 14.166 -0.198 0.197 20 HE2 LYS 2 2HE LYS 2 14.419 -1.000 2.381 21 HE3 LYS 2 3HE LYS 2 12.674 -0.935 2.137 22 HZ1 LYS 2 1HZ LYS 2 12.785 -3.336 1.563 23 HZ2 LYS 2 2HZ LYS 2 13.196 -2.994 3.167 24 HZ3 LYS 2 3HZ LYS 2 14.409 -3.339 2.040 25 H GLU 3 H GLU 3 10.136 -1.193 -4.823 26 HA GLU 3 HA GLU 3 11.150 1.263 -5.641 27 HB2 GLU 3 2HB GLU 3 8.667 -0.273 -6.155 28 HB3 GLU 3 3HB GLU 3 8.619 1.440 -6.545 29 HG2 GLU 3 2HG GLU 3 10.806 -0.357 -7.534 30 HG3 GLU 3 3HG GLU 3 9.282 -0.163 -8.397 31 H ASN 4 H ASN 4 9.581 3.264 -5.811 32 HA ASN 4 HA ASN 4 7.911 3.825 -3.585 33 HB2 ASN 4 2HB ASN 4 10.540 3.957 -2.892 34 HB3 ASN 4 3HB ASN 4 10.252 5.613 -3.415 35 HD21 ASN 4 1HD2 ASN 4 9.258 3.105 -1.187 36 HD22 ASN 4 2HD2 ASN 4 8.532 4.159 -0.026 37 H ASP 5 H ASP 5 6.438 5.050 -4.542 38 HA ASP 5 HA ASP 5 7.326 7.352 -6.125 39 HB2 ASP 5 2HB ASP 5 5.692 5.070 -7.056 40 HB3 ASP 5 3HB ASP 5 5.094 6.666 -7.499 41 H HIS 6 H HIS 6 4.165 5.898 -5.375 42 HA HIS 6 HA HIS 6 3.017 8.422 -4.724 43 HB2 HIS 6 2HB HIS 6 1.778 6.421 -5.646 44 HB3 HIS 6 3HB HIS 6 1.900 5.700 -4.044 45 HD1 HIS 6 HD1 HIS 6 0.919 9.234 -5.064 46 HD2 HIS 6 HD2 HIS 6 -0.572 5.963 -2.983 47 HE1 HIS 6 HE1 HIS 6 -1.288 9.986 -4.124 48 H ALA 7 H ALA 7 4.661 5.972 -2.922 49 HA ALA 7 HA ALA 7 3.659 6.581 -0.346 50 HB1 ALA 7 1HB ALA 7 5.525 5.306 0.501 51 HB2 ALA 7 2HB ALA 7 4.844 4.489 -0.906 52 HB3 ALA 7 3HB ALA 7 6.343 5.406 -1.059 53 H ARG 8 H ARG 8 6.756 7.468 -1.886 54 HA ARG 8 HA ARG 8 7.648 9.183 0.126 55 HB2 ARG 8 2HB ARG 8 9.177 8.431 -1.560 56 HB3 ARG 8 3HB ARG 8 8.211 9.155 -2.838 57 HG2 ARG 8 2HG ARG 8 9.123 11.179 -2.554 58 HG3 ARG 8 3HG ARG 8 9.122 11.043 -0.795 59 HD2 ARG 8 2HD ARG 8 11.159 9.906 -0.763 60 HD3 ARG 8 3HD ARG 8 11.041 9.460 -2.464 61 HE ARG 8 HE ARG 8 12.170 11.846 -1.400 62 HH11 ARG 8 1HH1 ARG 8 11.005 11.757 -5.229 63 HH12 ARG 8 2HH1 ARG 8 10.417 10.562 -4.120 64 HH21 ARG 8 1HH2 ARG 8 12.446 13.384 -4.505 65 HH22 ARG 8 2HH2 ARG 8 12.950 13.424 -2.849 66 H PHE 9 H PHE 9 5.720 9.863 -2.768 67 HA PHE 9 HA PHE 9 5.618 12.637 -2.570 68 HB2 PHE 9 2HB PHE 9 4.023 10.542 -3.893 69 HB3 PHE 9 3HB PHE 9 3.155 12.042 -3.580 70 HD1 PHE 9 HD1 PHE 9 4.892 14.169 -4.073 71 HD2 PHE 9 HD2 PHE 9 4.771 10.400 -6.046 72 HE1 PHE 9 HE1 PHE 9 5.924 15.182 -6.064 73 HE2 PHE 9 HE2 PHE 9 5.804 11.406 -8.039 74 HZ PHE 9 HZ PHE 9 6.383 13.800 -8.050 75 H LEU 10 H LEU 10 3.443 10.203 -1.168 76 HA LEU 10 HA LEU 10 1.745 12.084 0.110 77 HB2 LEU 10 2HB LEU 10 1.664 9.393 -0.373 78 HB3 LEU 10 3HB LEU 10 1.949 9.448 1.366 79 HG LEU 10 HG LEU 10 -0.214 11.194 0.403 80 HD11 LEU 10 1HD1 LEU 10 -1.171 9.655 -0.903 81 HD12 LEU 10 2HD1 LEU 10 -1.560 8.822 0.601 82 HD13 LEU 10 3HD1 LEU 10 -0.123 8.366 -0.313 83 HD21 LEU 10 1HD2 LEU 10 0.137 9.216 2.648 84 HD22 LEU 10 2HD2 LEU 10 -1.333 10.152 2.379 85 HD23 LEU 10 3HD2 LEU 10 0.182 10.976 2.749 86 H GLN 11 H GLN 11 4.422 10.065 1.289 87 HA GLN 11 HA GLN 11 4.361 10.770 3.965 88 HB2 GLN 11 2HB GLN 11 5.925 9.148 2.529 89 HB3 GLN 11 3HB GLN 11 7.028 10.510 2.675 90 HG2 GLN 11 2HG GLN 11 7.425 10.122 4.841 91 HG3 GLN 11 3HG GLN 11 5.743 9.720 5.183 92 HE21 GLN 11 1HE2 GLN 11 5.128 7.627 5.254 93 HE22 GLN 11 2HE2 GLN 11 6.199 6.291 5.023 94 H THR 12 H THR 12 5.447 12.599 1.220 95 HA THR 12 HA THR 12 6.935 14.538 2.715 96 HB THR 12 HB THR 12 5.854 14.622 -0.107 97 HG1 THR 12 HG1 THR 12 7.625 13.564 -0.549 98 HG21 THR 12 1HG2 THR 12 7.286 16.634 1.531 99 HG22 THR 12 2HG2 THR 12 6.160 16.856 0.191 100 HG23 THR 12 3HG2 THR 12 7.838 16.420 -0.130 101 H ALA 13 H ALA 13 3.846 14.732 0.935 102 HA ALA 13 HA ALA 13 3.067 17.257 1.721 103 HB1 ALA 13 1HB ALA 13 1.562 16.554 0.215 104 HB2 ALA 13 2HB ALA 13 1.708 14.867 0.707 105 HB3 ALA 13 3HB ALA 13 0.675 15.965 1.622 106 H LYS 14 H LYS 14 2.797 14.220 3.474 107 HA LYS 14 HA LYS 14 1.205 15.321 5.594 108 HB2 LYS 14 2HB LYS 14 1.658 12.794 4.741 109 HB3 LYS 14 3HB LYS 14 2.776 12.865 6.097 110 HG2 LYS 14 2HG LYS 14 1.071 13.196 7.645 111 HG3 LYS 14 3HG LYS 14 -0.081 13.705 6.408 112 HD2 LYS 14 2HD LYS 14 -0.825 11.575 6.776 113 HD3 LYS 14 3HD LYS 14 0.355 11.259 5.502 114 HE2 LYS 14 2HE LYS 14 1.067 11.135 8.420 115 HE3 LYS 14 3HE LYS 14 0.417 9.745 7.552 116 HZ1 LYS 14 1HZ LYS 14 2.470 9.317 6.885 117 HZ2 LYS 14 2HZ LYS 14 3.061 10.742 7.577 118 HZ3 LYS 14 3HZ LYS 14 2.468 10.755 5.993 119 H ASN 15 H ASN 15 4.617 14.413 5.215 120 HA ASN 15 HA ASN 15 5.478 15.007 7.798 121 HB2 ASN 15 2HB ASN 15 6.961 13.822 6.363 122 HB3 ASN 15 3HB ASN 15 6.910 15.092 5.144 123 HD21 ASN 15 1HD2 ASN 15 8.093 16.974 5.454 124 HD22 ASN 15 2HD2 ASN 15 9.359 17.080 6.625 125 H ILE 16 H ILE 16 4.552 17.094 5.223 126 HA ILE 16 HA ILE 16 5.956 19.416 6.155 127 HB ILE 16 HB ILE 16 3.636 19.180 4.235 128 HG12 ILE 16 2HG1 ILE 16 6.396 19.884 3.374 129 HG13 ILE 16 3HG1 ILE 16 6.095 18.207 3.818 130 HG21 ILE 16 1HG2 ILE 16 4.383 21.462 3.509 131 HG22 ILE 16 2HG2 ILE 16 3.641 21.394 5.107 132 HG23 ILE 16 3HG2 ILE 16 5.393 21.517 4.954 133 HD11 ILE 16 1HD1 ILE 16 5.296 17.862 1.790 134 HD12 ILE 16 2HD1 ILE 16 3.981 18.984 2.140 135 HD13 ILE 16 3HD1 ILE 16 5.468 19.572 1.397 136 H THR 17 H THR 17 2.493 18.555 6.067 137 HA THR 17 HA THR 17 1.731 20.698 7.782 138 HB THR 17 HB THR 17 -0.068 18.358 7.628 139 HG1 THR 17 HG1 THR 17 1.009 19.625 5.359 140 HG21 THR 17 1HG2 THR 17 -0.408 21.292 6.993 141 HG22 THR 17 2HG2 THR 17 -0.791 20.517 8.530 142 HG23 THR 17 3HG2 THR 17 -1.702 20.099 7.079 143 H GLU 18 H GLU 18 3.058 17.608 8.339 144 HA GLU 18 HA GLU 18 1.954 17.289 10.992 145 HB2 GLU 18 2HB GLU 18 2.465 15.327 9.589 146 HB3 GLU 18 3HB GLU 18 4.167 15.766 9.604 147 HG2 GLU 18 2HG GLU 18 3.893 14.043 11.189 148 HG3 GLU 18 3HG GLU 18 4.106 15.538 12.099 149 H ARG 19 H ARG 19 5.007 18.282 9.532 150 HA ARG 19 HA ARG 19 6.450 18.483 11.971 151 HB2 ARG 19 2HB ARG 19 7.400 18.319 9.608 152 HB3 ARG 19 3HB ARG 19 7.036 20.033 9.454 153 HG2 ARG 19 2HG ARG 19 8.427 19.816 11.853 154 HG3 ARG 19 3HG ARG 19 9.262 18.732 10.738 155 HD2 ARG 19 2HD ARG 19 9.378 20.577 9.096 156 HD3 ARG 19 3HD ARG 19 8.633 21.647 10.283 157 HE ARG 19 HE ARG 19 10.968 20.397 11.323 158 HH11 ARG 19 1HH1 ARG 19 11.296 23.924 9.458 159 HH12 ARG 19 2HH1 ARG 19 9.878 22.956 9.229 160 HH21 ARG 19 1HH2 ARG 19 12.981 23.187 10.824 161 HH22 ARG 19 2HH2 ARG 19 12.840 21.663 11.632 162 H VAL 20 H VAL 20 4.395 20.664 10.163 163 HA VAL 20 HA VAL 20 5.123 23.016 11.623 164 HB VAL 20 HB VAL 20 4.201 23.196 9.370 165 HG11 VAL 20 1HG1 VAL 20 2.687 21.268 9.468 166 HG12 VAL 20 2HG1 VAL 20 1.632 22.159 10.567 167 HG13 VAL 20 3HG1 VAL 20 1.860 22.722 8.910 168 HG21 VAL 20 1HG2 VAL 20 3.303 24.645 11.661 169 HG22 VAL 20 2HG2 VAL 20 3.573 25.226 10.018 170 HG23 VAL 20 3HG2 VAL 20 2.000 24.574 10.475 171 H SER 21 H SER 21 2.614 20.568 11.895 172 HA SER 21 HA SER 21 1.018 21.904 13.808 173 HB2 SER 21 2HB SER 21 0.192 19.995 12.491 174 HB3 SER 21 3HB SER 21 1.327 18.930 13.320 175 HG SER 21 HG SER 21 -1.046 19.301 14.080 176 H MET 22 H MET 22 3.926 20.006 14.041 177 HA MET 22 HA MET 22 3.730 19.863 16.950 178 HB2 MET 22 2HB MET 22 5.121 18.370 14.886 179 HB3 MET 22 3HB MET 22 6.211 18.845 16.182 180 HG2 MET 22 2HG MET 22 4.593 17.857 17.801 181 HG3 MET 22 3HG MET 22 3.680 17.243 16.425 182 HE1 MET 22 1HE MET 22 5.494 14.691 14.791 183 HE2 MET 22 2HE MET 22 5.004 16.354 14.467 184 HE3 MET 22 3HE MET 22 6.717 15.940 14.553 185 H ALA 23 H ALA 23 5.768 21.276 14.425 186 HA ALA 23 HA ALA 23 7.715 22.428 16.066 187 HB1 ALA 23 1HB ALA 23 8.059 22.287 13.700 188 HB2 ALA 23 2HB ALA 23 6.662 23.318 13.386 189 HB3 ALA 23 3HB ALA 23 8.096 23.988 14.165 190 H THR 24 H THR 24 4.543 23.604 15.070 191 HA THR 24 HA THR 24 4.915 26.164 16.361 192 HB THR 24 HB THR 24 2.257 25.117 15.432 193 HG1 THR 24 HG1 THR 24 4.498 25.813 13.890 194 HG21 THR 24 1HG2 THR 24 1.655 27.342 15.237 195 HG22 THR 24 2HG2 THR 24 3.323 27.885 15.048 196 HG23 THR 24 3HG2 THR 24 2.731 27.389 16.633 197 H ALA 25 H ALA 25 3.368 23.097 17.057 198 HA ALA 25 HA ALA 25 2.018 24.085 19.409 199 HB1 ALA 25 1HB ALA 25 1.020 22.298 18.083 200 HB2 ALA 25 2HB ALA 25 2.403 21.259 18.430 201 HB3 ALA 25 3HB ALA 25 1.330 21.764 19.735 202 H SER 26 H SER 26 5.167 23.413 18.752 203 HA SER 26 HA SER 26 5.708 22.607 21.536 204 HB2 SER 26 2HB SER 26 7.236 21.914 19.019 205 HB3 SER 26 3HB SER 26 7.845 21.616 20.647 206 HG SER 26 HG SER 26 6.815 19.770 19.852 207 H SER 27 H SER 27 6.003 25.022 19.232 208 HA SER 27 HA SER 27 8.409 26.171 20.448 209 HB2 SER 27 2HB SER 27 6.887 26.794 17.919 210 HB3 SER 27 3HB SER 27 8.126 27.876 18.555 211 HG SER 27 HG SER 27 9.123 26.504 17.130 212 H GLN 28 H GLN 28 4.979 26.536 20.300 213 HA GLN 28 HA GLN 28 5.187 29.023 21.867 214 HB2 GLN 28 2HB GLN 28 3.316 28.211 19.696 215 HB3 GLN 28 3HB GLN 28 2.679 29.205 20.999 216 HG2 GLN 28 2HG GLN 28 3.947 31.020 20.426 217 HG3 GLN 28 3HG GLN 28 5.203 30.041 19.669 218 HE21 GLN 28 1HE2 GLN 28 1.884 31.166 19.291 219 HE22 GLN 28 2HE2 GLN 28 1.882 31.145 17.564 220 H VAL 29 H VAL 29 2.425 26.892 21.269 221 HA VAL 29 HA VAL 29 2.446 25.450 23.645 222 HB VAL 29 HB VAL 29 2.250 27.468 24.898 223 HG11 VAL 29 1HG1 VAL 29 0.056 28.185 22.966 224 HG12 VAL 29 2HG1 VAL 29 0.311 29.027 24.495 225 HG13 VAL 29 3HG1 VAL 29 1.569 29.042 23.259 226 HG21 VAL 29 1HG2 VAL 29 0.328 27.031 26.162 227 HG22 VAL 29 2HG2 VAL 29 -0.582 26.480 24.755 228 HG23 VAL 29 3HG2 VAL 29 0.715 25.482 25.413 229 H LEU 30 H LEU 30 0.597 27.044 21.152 230 HA LEU 30 HA LEU 30 -1.105 26.303 19.831 231 HB2 LEU 30 2HB LEU 30 0.225 24.082 20.235 232 HB3 LEU 30 3HB LEU 30 -1.166 23.671 21.236 233 HG LEU 30 HG LEU 30 -2.614 24.047 19.227 234 HD11 LEU 30 1HD1 LEU 30 -1.790 24.920 17.366 235 HD12 LEU 30 2HD1 LEU 30 -0.581 23.642 17.260 236 HD13 LEU 30 3HD1 LEU 30 -0.233 25.111 18.171 237 HD21 LEU 30 1HD2 LEU 30 -0.681 21.885 19.653 238 HD22 LEU 30 2HD2 LEU 30 -1.352 21.958 18.024 239 HD23 LEU 30 3HD2 LEU 30 -2.427 21.819 19.416 240 H ILE 31 H ILE 31 -2.399 27.834 21.020 241 HA ILE 31 HA ILE 31 -4.626 26.525 22.361 242 HB ILE 31 HB ILE 31 -4.628 28.322 24.147 243 HG12 ILE 31 2HG1 ILE 31 -1.761 28.641 24.172 244 HG13 ILE 31 3HG1 ILE 31 -2.422 29.242 22.655 245 HG21 ILE 31 1HG2 ILE 31 -4.096 26.060 24.717 246 HG22 ILE 31 2HG2 ILE 31 -2.454 26.238 24.102 247 HG23 ILE 31 3HG2 ILE 31 -2.954 27.116 25.547 248 HD11 ILE 31 1HD1 ILE 31 -2.367 31.070 24.134 249 HD12 ILE 31 2HD1 ILE 31 -4.056 30.569 24.043 250 HD13 ILE 31 3HD1 ILE 31 -3.079 30.129 25.444 251 HA PRO 32 HA PRO 32 -5.925 29.811 19.391 252 HB2 PRO 32 2HB PRO 32 -7.973 28.363 18.354 253 HB3 PRO 32 3HB PRO 32 -6.311 28.230 17.769 254 HG2 PRO 32 2HG PRO 32 -7.798 26.456 19.667 255 HG3 PRO 32 3HG PRO 32 -6.721 26.011 18.331 256 HD2 PRO 32 2HD PRO 32 -5.915 26.007 20.915 257 HD3 PRO 32 3HD PRO 32 -4.817 26.389 19.573 258 H GLU 33 H GLU 33 -6.574 30.989 21.310 259 HA GLU 33 HA GLU 33 -9.121 30.360 22.525 260 HB2 GLU 33 2HB GLU 33 -7.401 31.267 23.949 261 HB3 GLU 33 3HB GLU 33 -7.204 32.664 22.900 262 HG2 GLU 33 2HG GLU 33 -9.533 33.329 23.446 263 HG3 GLU 33 3HG GLU 33 -9.592 32.002 24.605 264 H ILE 34 H ILE 34 -7.800 32.971 20.508 265 HA ILE 34 HA ILE 34 -10.276 33.318 19.136 266 HB ILE 34 HB ILE 34 -10.924 34.513 21.133 267 HG12 ILE 34 2HG1 ILE 34 -10.284 36.829 19.406 268 HG13 ILE 34 3HG1 ILE 34 -11.106 35.490 18.613 269 HG21 ILE 34 1HG2 ILE 34 -9.695 36.349 22.050 270 HG22 ILE 34 2HG2 ILE 34 -8.598 34.977 21.903 271 HG23 ILE 34 3HG2 ILE 34 -8.527 36.292 20.730 272 HD11 ILE 34 1HD1 ILE 34 -12.753 37.031 19.354 273 HD12 ILE 34 2HD1 ILE 34 -12.844 35.611 20.397 274 HD13 ILE 34 3HD1 ILE 34 -12.061 37.081 20.976 275 H ASN 35 H ASN 35 -7.130 34.669 19.990 276 HA ASN 35 HA ASN 35 -6.925 35.875 17.323 277 HB2 ASN 35 2HB ASN 35 -5.866 36.541 19.962 278 HB3 ASN 35 3HB ASN 35 -4.629 36.568 18.709 279 HD21 ASN 35 1HD2 ASN 35 -7.749 37.856 19.663 280 HD22 ASN 35 2HD2 ASN 35 -7.648 39.303 18.723 281 H LEU 36 H LEU 36 -5.265 33.654 19.518 282 HA LEU 36 HA LEU 36 -3.022 33.072 18.000 283 HB2 LEU 36 2HB LEU 36 -3.322 32.289 20.279 284 HB3 LEU 36 3HB LEU 36 -4.633 31.232 19.762 285 HG LEU 36 HG LEU 36 -2.269 30.250 20.219 286 HD11 LEU 36 1HD1 LEU 36 -3.522 28.574 19.445 287 HD12 LEU 36 2HD1 LEU 36 -2.770 28.902 17.884 288 HD13 LEU 36 3HD1 LEU 36 -4.340 29.606 18.272 289 HD21 LEU 36 1HD2 LEU 36 -1.391 32.050 18.491 290 HD22 LEU 36 2HD2 LEU 36 -1.796 30.781 17.334 291 HD23 LEU 36 3HD2 LEU 36 -0.645 30.458 18.632 292 H ASN 37 H ASN 37 -6.248 31.609 17.858 293 HA ASN 37 HA ASN 37 -5.776 29.579 16.046 294 HB2 ASN 37 2HB ASN 37 -7.936 30.090 17.272 295 HB3 ASN 37 3HB ASN 37 -8.261 31.295 16.030 296 HD21 ASN 37 1HD2 ASN 37 -6.938 28.006 15.936 297 HD22 ASN 37 2HD2 ASN 37 -8.083 27.396 14.794 298 H ASP 38 H ASP 38 -6.637 32.959 15.359 299 HA ASP 38 HA ASP 38 -6.742 32.807 12.587 300 HB2 ASP 38 2HB ASP 38 -6.190 34.992 14.541 301 HB3 ASP 38 3HB ASP 38 -5.855 35.299 12.839 302 H THR 39 H THR 39 -3.997 32.892 14.728 303 HA THR 39 HA THR 39 -2.082 33.481 12.662 304 HB THR 39 HB THR 39 -0.886 32.230 14.965 305 HG1 THR 39 HG1 THR 39 -2.302 34.540 15.711 306 HG21 THR 39 1HG2 THR 39 0.538 33.716 14.013 307 HG22 THR 39 2HG2 THR 39 -0.220 34.834 15.147 308 HG23 THR 39 3HG2 THR 39 -0.762 34.775 13.470 309 H PHE 40 H PHE 40 -2.792 30.603 14.646 310 HA PHE 40 HA PHE 40 -1.037 28.860 13.348 311 HB2 PHE 40 2HB PHE 40 -2.306 28.498 15.537 312 HB3 PHE 40 3HB PHE 40 -3.674 28.012 14.540 313 HD1 PHE 40 HD1 PHE 40 -0.044 27.315 14.127 314 HD2 PHE 40 HD2 PHE 40 -3.925 25.739 14.883 315 HE1 PHE 40 HE1 PHE 40 0.863 25.031 14.005 316 HE2 PHE 40 HE2 PHE 40 -3.024 23.453 14.763 317 HZ PHE 40 HZ PHE 40 -0.627 23.096 14.325 318 H ASP 41 H ASP 41 -4.415 29.650 12.673 319 HA ASP 41 HA ASP 41 -4.917 27.742 10.702 320 HB2 ASP 41 2HB ASP 41 -6.450 29.573 11.860 321 HB3 ASP 41 3HB ASP 41 -6.070 30.477 10.397 322 H THR 42 H THR 42 -4.081 31.170 10.163 323 HA THR 42 HA THR 42 -3.668 31.008 7.424 324 HB THR 42 HB THR 42 -3.610 33.054 9.147 325 HG1 THR 42 HG1 THR 42 -3.538 34.077 7.297 326 HG21 THR 42 1HG2 THR 42 -1.469 33.948 9.520 327 HG22 THR 42 2HG2 THR 42 -0.713 32.844 8.370 328 HG23 THR 42 3HG2 THR 42 -1.307 32.238 9.916 329 H PHE 43 H PHE 43 -1.643 29.970 10.035 330 HA PHE 43 HA PHE 43 0.786 29.846 8.521 331 HB2 PHE 43 2HB PHE 43 0.594 30.021 11.055 332 HB3 PHE 43 3HB PHE 43 0.173 28.311 11.045 333 HD1 PHE 43 HD1 PHE 43 1.974 27.266 12.065 334 HD2 PHE 43 HD2 PHE 43 2.682 30.118 8.987 335 HE1 PHE 43 HE1 PHE 43 4.363 26.678 12.075 336 HE2 PHE 43 HE2 PHE 43 5.072 29.534 8.990 337 HZ PHE 43 HZ PHE 43 5.915 27.812 10.535 338 H ALA 44 H ALA 44 -1.556 27.422 9.658 339 HA ALA 44 HA ALA 44 -0.288 25.226 8.387 340 HB1 ALA 44 1HB ALA 44 -1.665 24.246 9.836 341 HB2 ALA 44 2HB ALA 44 -2.679 25.684 9.959 342 HB3 ALA 44 3HB ALA 44 -2.951 24.522 8.660 343 H LEU 45 H LEU 45 -3.085 27.231 7.492 344 HA LEU 45 HA LEU 45 -3.917 25.975 5.206 345 HB2 LEU 45 2HB LEU 45 -4.668 28.199 6.407 346 HB3 LEU 45 3HB LEU 45 -3.677 28.943 5.153 347 HG LEU 45 HG LEU 45 -5.896 28.991 4.357 348 HD11 LEU 45 1HD1 LEU 45 -4.150 28.211 2.755 349 HD12 LEU 45 2HD1 LEU 45 -5.789 27.702 2.352 350 HD13 LEU 45 3HD1 LEU 45 -4.666 26.556 3.082 351 HD21 LEU 45 1HD2 LEU 45 -6.415 26.951 6.030 352 HD22 LEU 45 2HD2 LEU 45 -6.381 26.084 4.494 353 HD23 LEU 45 3HD2 LEU 45 -7.492 27.436 4.720 354 H ASP 46 H ASP 46 -1.588 28.681 5.246 355 HA ASP 46 HA ASP 46 -0.832 28.652 2.611 356 HB2 ASP 46 2HB ASP 46 0.025 29.963 4.870 357 HB3 ASP 46 3HB ASP 46 1.443 29.017 4.426 358 H PHE 47 H PHE 47 0.545 26.707 5.245 359 HA PHE 47 HA PHE 47 2.545 25.421 3.804 360 HB2 PHE 47 2HB PHE 47 1.159 25.016 6.339 361 HB3 PHE 47 3HB PHE 47 1.652 23.499 5.593 362 HD1 PHE 47 HD1 PHE 47 4.150 23.652 4.566 363 HD2 PHE 47 HD2 PHE 47 2.632 25.931 7.825 364 HE1 PHE 47 HE1 PHE 47 6.443 23.989 5.394 365 HE2 PHE 47 HE2 PHE 47 4.922 26.273 8.657 366 HZ PHE 47 HZ PHE 47 6.831 25.302 7.441 367 H SER 48 H SER 48 -0.787 24.323 4.416 368 HA SER 48 HA SER 48 -0.721 21.932 3.040 369 HB2 SER 48 2HB SER 48 -2.630 22.709 4.419 370 HB3 SER 48 3HB SER 48 -3.051 23.863 3.154 371 HG SER 48 HG SER 48 -3.975 22.311 2.090 372 H ARG 49 H ARG 49 -1.433 25.170 1.775 373 HA ARG 49 HA ARG 49 -2.148 24.612 -0.801 374 HB2 ARG 49 2HB ARG 49 -1.808 26.887 0.406 375 HB3 ARG 49 3HB ARG 49 -0.178 26.809 -0.251 376 HG2 ARG 49 2HG ARG 49 -1.600 26.300 -2.475 377 HG3 ARG 49 3HG ARG 49 -2.744 27.318 -1.598 378 HD2 ARG 49 2HD ARG 49 -1.304 29.140 -1.584 379 HD3 ARG 49 3HD ARG 49 0.121 28.139 -1.860 380 HE ARG 49 HE ARG 49 -1.631 27.987 -4.074 381 HH11 ARG 49 1HH1 ARG 49 1.048 30.960 -3.979 382 HH12 ARG 49 2HH1 ARG 49 0.635 30.124 -2.519 383 HH21 ARG 49 1HH2 ARG 49 0.063 30.366 -5.960 384 HH22 ARG 49 2HH2 ARG 49 -1.095 29.080 -6.003 385 H GLU 50 H GLU 50 1.134 24.726 0.520 386 HA GLU 50 HA GLU 50 2.352 24.125 -2.018 387 HB2 GLU 50 2HB GLU 50 3.231 24.956 0.598 388 HB3 GLU 50 3HB GLU 50 4.189 23.589 0.047 389 HG2 GLU 50 2HG GLU 50 3.987 25.312 -2.148 390 HG3 GLU 50 3HG GLU 50 4.309 26.337 -0.752 391 H LYS 51 H LYS 51 1.281 22.349 0.786 392 HA LYS 51 HA LYS 51 2.680 19.954 0.389 393 HB2 LYS 51 2HB LYS 51 1.411 19.129 2.085 394 HB3 LYS 51 3HB LYS 51 1.013 20.829 2.298 395 HG2 LYS 51 2HG LYS 51 -1.082 19.967 2.316 396 HG3 LYS 51 3HG LYS 51 -0.905 20.208 0.577 397 HD2 LYS 51 2HD LYS 51 0.025 17.798 0.569 398 HD3 LYS 51 3HD LYS 51 -0.726 17.668 2.161 399 HE2 LYS 51 2HE LYS 51 -2.877 18.382 1.134 400 HE3 LYS 51 3HE LYS 51 -2.093 18.332 -0.444 401 HZ1 LYS 51 1HZ LYS 51 -2.237 15.994 1.374 402 HZ2 LYS 51 2HZ LYS 51 -1.765 16.009 -0.250 403 HZ3 LYS 51 3HZ LYS 51 -3.379 16.300 0.164 404 H LYS 52 H LYS 52 -0.132 21.275 -1.180 405 HA LYS 52 HA LYS 52 -0.875 18.785 -2.440 406 HB2 LYS 52 2HB LYS 52 -2.635 20.350 -1.925 407 HB3 LYS 52 3HB LYS 52 -1.827 21.626 -2.826 408 HG2 LYS 52 2HG LYS 52 -3.627 20.831 -4.154 409 HG3 LYS 52 3HG LYS 52 -2.129 20.256 -4.890 410 HD2 LYS 52 2HD LYS 52 -3.370 18.331 -4.945 411 HD3 LYS 52 3HD LYS 52 -2.589 18.150 -3.372 412 HE2 LYS 52 2HE LYS 52 -4.518 18.647 -2.210 413 HE3 LYS 52 3HE LYS 52 -5.218 19.552 -3.551 414 HZ1 LYS 52 1HZ LYS 52 -6.287 17.374 -3.131 415 HZ2 LYS 52 2HZ LYS 52 -4.840 16.609 -3.558 416 HZ3 LYS 52 3HZ LYS 52 -5.678 17.532 -4.702 417 H LEU 53 H LEU 53 0.393 21.915 -3.586 418 HA LEU 53 HA LEU 53 0.753 21.284 -6.248 419 HB2 LEU 53 2HB LEU 53 1.053 23.523 -5.504 420 HB3 LEU 53 3HB LEU 53 2.364 23.053 -4.425 421 HG LEU 53 HG LEU 53 2.911 22.451 -7.228 422 HD11 LEU 53 1HD1 LEU 53 2.560 25.329 -6.399 423 HD12 LEU 53 2HD1 LEU 53 1.571 24.461 -7.573 424 HD13 LEU 53 3HD1 LEU 53 3.276 24.764 -7.909 425 HD21 LEU 53 1HD2 LEU 53 4.767 22.305 -5.899 426 HD22 LEU 53 2HD2 LEU 53 4.271 23.645 -4.865 427 HD23 LEU 53 3HD2 LEU 53 4.927 23.965 -6.471 428 H LEU 54 H LEU 54 2.604 20.275 -3.488 429 HA LEU 54 HA LEU 54 4.906 19.409 -4.946 430 HB2 LEU 54 2HB LEU 54 5.077 19.973 -2.602 431 HB3 LEU 54 3HB LEU 54 3.911 18.719 -2.186 432 HG LEU 54 HG LEU 54 6.437 18.308 -1.777 433 HD11 LEU 54 1HD1 LEU 54 4.436 16.680 -1.740 434 HD12 LEU 54 2HD1 LEU 54 6.068 16.020 -1.852 435 HD13 LEU 54 3HD1 LEU 54 5.059 16.127 -3.295 436 HD21 LEU 54 1HD2 LEU 54 6.911 18.987 -4.217 437 HD22 LEU 54 2HD2 LEU 54 6.358 17.361 -4.619 438 HD23 LEU 54 3HD2 LEU 54 7.748 17.583 -3.555 439 H GLU 55 H GLU 55 2.339 17.585 -3.262 440 HA GLU 55 HA GLU 55 3.062 15.094 -4.388 441 HB2 GLU 55 2HB GLU 55 1.485 15.799 -2.335 442 HB3 GLU 55 3HB GLU 55 0.247 15.536 -3.554 443 HG2 GLU 55 2HG GLU 55 1.621 13.297 -3.917 444 HG3 GLU 55 3HG GLU 55 2.058 13.601 -2.236 445 H CYS 56 H CYS 56 1.607 17.768 -5.771 446 HA CYS 56 HA CYS 56 0.465 18.156 -7.702 447 HB2 CYS 56 2HB CYS 56 2.580 16.756 -8.392 448 HB3 CYS 56 3HB CYS 56 1.390 15.514 -8.763 449 HG CYS 56 HG CYS 56 1.139 16.377 -11.165 450 H LEU 57 H LEU 57 -1.628 17.993 -6.871 451 HA LEU 57 HA LEU 57 -3.128 15.716 -7.883 452 HB2 LEU 57 2HB LEU 57 -2.657 16.262 -5.039 453 HB3 LEU 57 3HB LEU 57 -4.348 16.018 -5.469 454 HG LEU 57 HG LEU 57 -2.377 14.011 -6.427 455 HD11 LEU 57 1HD1 LEU 57 -3.427 13.910 -3.615 456 HD12 LEU 57 2HD1 LEU 57 -1.834 14.555 -4.008 457 HD13 LEU 57 3HD1 LEU 57 -2.220 12.874 -4.376 458 HD21 LEU 57 1HD2 LEU 57 -4.899 13.255 -5.119 459 HD22 LEU 57 2HD2 LEU 57 -4.194 12.702 -6.638 460 HD23 LEU 57 3HD2 LEU 57 -5.070 14.233 -6.577 461 H ASP 58 H ASP 58 -5.427 16.109 -7.984 462 HA ASP 58 HA ASP 58 -6.001 18.895 -8.520 463 HB2 ASP 58 2HB ASP 58 -7.912 16.569 -8.751 464 HB3 ASP 58 3HB ASP 58 -8.001 18.126 -9.570 465 H TYR 59 H TYR 59 -7.945 19.949 -7.710 466 HA TYR 59 HA TYR 59 -9.371 18.966 -5.470 467 HB2 TYR 59 2HB TYR 59 -6.953 19.600 -4.623 468 HB3 TYR 59 3HB TYR 59 -7.599 21.237 -4.667 469 HD1 TYR 59 HD1 TYR 59 -8.564 22.048 -2.738 470 HD2 TYR 59 HD2 TYR 59 -8.577 17.849 -3.420 471 HE1 TYR 59 HE1 TYR 59 -9.607 21.701 -0.538 472 HE2 TYR 59 HE2 TYR 59 -9.621 17.489 -1.222 473 HH TYR 59 HH TYR 59 -10.325 20.214 0.946 474 H LEU 60 H LEU 60 -10.654 20.785 -4.403 475 HA LEU 60 HA LEU 60 -11.124 23.010 -6.259 476 HB2 LEU 60 2HB LEU 60 -12.739 20.878 -6.313 477 HB3 LEU 60 3HB LEU 60 -13.499 21.770 -4.998 478 HG LEU 60 HG LEU 60 -14.599 22.213 -7.127 479 HD11 LEU 60 1HD1 LEU 60 -14.958 24.376 -6.637 480 HD12 LEU 60 2HD1 LEU 60 -13.245 24.788 -6.704 481 HD13 LEU 60 3HD1 LEU 60 -13.916 24.038 -5.255 482 HD21 LEU 60 1HD2 LEU 60 -12.828 23.858 -8.498 483 HD22 LEU 60 2HD2 LEU 60 -13.359 22.245 -8.973 484 HD23 LEU 60 3HD2 LEU 60 -11.869 22.447 -8.049 Start of MODEL 16 1 H LEU 1 H LEU 1 6.583 3.708 2.743 2 HA LEU 1 HA LEU 1 7.717 3.506 0.777 3 HB2 LEU 1 2HB LEU 1 9.559 1.661 2.268 4 HB3 LEU 1 3HB LEU 1 9.947 2.753 0.940 5 HG LEU 1 HG LEU 1 9.085 3.746 3.646 6 HD11 LEU 1 1HD1 LEU 1 11.864 3.140 2.654 7 HD12 LEU 1 2HD1 LEU 1 11.044 2.427 4.043 8 HD13 LEU 1 3HD1 LEU 1 11.503 4.130 4.069 9 HD21 LEU 1 1HD2 LEU 1 10.107 5.808 2.921 10 HD22 LEU 1 2HD2 LEU 1 8.925 5.286 1.720 11 HD23 LEU 1 3HD2 LEU 1 10.649 5.053 1.422 12 H LYS 2 H LYS 2 7.856 2.260 -1.063 13 HA LYS 2 HA LYS 2 7.639 -0.610 -0.951 14 HB2 LYS 2 2HB LYS 2 5.526 -0.685 -2.273 15 HB3 LYS 2 3HB LYS 2 5.312 -0.095 -0.630 16 HG2 LYS 2 2HG LYS 2 4.958 2.096 -1.331 17 HG3 LYS 2 3HG LYS 2 5.681 1.805 -2.914 18 HD2 LYS 2 2HD LYS 2 3.169 0.412 -2.028 19 HD3 LYS 2 3HD LYS 2 3.136 1.998 -2.802 20 HE2 LYS 2 2HE LYS 2 4.327 1.061 -4.735 21 HE3 LYS 2 3HE LYS 2 4.325 -0.522 -3.960 22 HZ1 LYS 2 1HZ LYS 2 1.979 -0.637 -4.113 23 HZ2 LYS 2 2HZ LYS 2 2.536 -0.163 -5.639 24 HZ3 LYS 2 3HZ LYS 2 1.849 0.979 -4.597 25 H GLU 3 H GLU 3 9.576 1.115 -2.012 26 HA GLU 3 HA GLU 3 10.782 1.554 -3.895 27 HB2 GLU 3 2HB GLU 3 10.348 -1.060 -3.868 28 HB3 GLU 3 3HB GLU 3 9.431 -0.691 -5.321 29 HG2 GLU 3 2HG GLU 3 12.090 0.522 -5.239 30 HG3 GLU 3 3HG GLU 3 12.090 -1.240 -5.242 31 H ASN 4 H ASN 4 9.800 3.522 -4.429 32 HA ASN 4 HA ASN 4 8.737 3.716 -7.009 33 HB2 ASN 4 2HB ASN 4 6.776 2.914 -5.240 34 HB3 ASN 4 3HB ASN 4 6.550 4.659 -5.306 35 HD21 ASN 4 1HD2 ASN 4 7.183 1.950 -7.509 36 HD22 ASN 4 2HD2 ASN 4 6.073 2.463 -8.730 37 H ASP 5 H ASP 5 7.348 6.048 -6.971 38 HA ASP 5 HA ASP 5 9.148 7.916 -5.570 39 HB2 ASP 5 2HB ASP 5 9.187 7.612 -8.226 40 HB3 ASP 5 3HB ASP 5 7.856 8.761 -8.114 41 H HIS 6 H HIS 6 6.034 6.816 -5.841 42 HA HIS 6 HA HIS 6 4.657 9.323 -5.497 43 HB2 HIS 6 2HB HIS 6 3.685 7.237 -6.584 44 HB3 HIS 6 3HB HIS 6 3.547 6.568 -4.961 45 HD1 HIS 6 HD1 HIS 6 1.484 7.148 -3.690 46 HD2 HIS 6 HD2 HIS 6 2.092 9.667 -6.938 47 HE1 HIS 6 HE1 HIS 6 -0.581 8.578 -3.829 48 H ALA 7 H ALA 7 5.238 6.483 -3.421 49 HA ALA 7 HA ALA 7 4.132 7.475 -1.078 50 HB1 ALA 7 1HB ALA 7 5.537 5.195 -1.829 51 HB2 ALA 7 2HB ALA 7 6.490 5.906 -0.526 52 HB3 ALA 7 3HB ALA 7 4.791 5.515 -0.263 53 H ARG 8 H ARG 8 7.468 7.763 -2.266 54 HA ARG 8 HA ARG 8 8.547 9.100 -0.066 55 HB2 ARG 8 2HB ARG 8 9.971 8.181 -1.791 56 HB3 ARG 8 3HB ARG 8 9.280 9.264 -2.992 57 HG2 ARG 8 2HG ARG 8 10.449 11.079 -2.234 58 HG3 ARG 8 3HG ARG 8 10.589 10.441 -0.594 59 HD2 ARG 8 2HD ARG 8 12.680 9.891 -1.150 60 HD3 ARG 8 3HD ARG 8 11.959 8.592 -2.099 61 HE ARG 8 HE ARG 8 12.166 11.100 -3.498 62 HH11 ARG 8 1HH1 ARG 8 14.829 8.163 -4.050 63 HH12 ARG 8 2HH1 ARG 8 13.763 8.115 -2.685 64 HH21 ARG 8 1HH2 ARG 8 14.717 9.903 -5.535 65 HH22 ARG 8 2HH2 ARG 8 13.565 11.174 -5.298 66 H PHE 9 H PHE 9 7.137 10.432 -3.049 67 HA PHE 9 HA PHE 9 7.480 13.135 -2.441 68 HB2 PHE 9 2HB PHE 9 6.230 11.620 -4.475 69 HB3 PHE 9 3HB PHE 9 5.021 12.750 -3.875 70 HD1 PHE 9 HD1 PHE 9 4.831 14.523 -5.316 71 HD2 PHE 9 HD2 PHE 9 8.705 13.014 -4.402 72 HE1 PHE 9 HE1 PHE 9 5.844 16.320 -6.658 73 HE2 PHE 9 HE2 PHE 9 9.724 14.808 -5.742 74 HZ PHE 9 HZ PHE 9 8.294 16.465 -6.871 75 H LEU 10 H LEU 10 4.921 10.884 -1.561 76 HA LEU 10 HA LEU 10 3.153 12.808 -0.465 77 HB2 LEU 10 2HB LEU 10 3.194 10.015 -0.868 78 HB3 LEU 10 3HB LEU 10 2.892 10.282 0.848 79 HG LEU 10 HG LEU 10 1.260 11.808 -1.118 80 HD11 LEU 10 1HD1 LEU 10 0.591 9.957 -2.164 81 HD12 LEU 10 2HD1 LEU 10 -0.236 9.548 -0.661 82 HD13 LEU 10 3HD1 LEU 10 1.373 8.903 -0.986 83 HD21 LEU 10 1HD2 LEU 10 1.059 12.174 1.306 84 HD22 LEU 10 2HD2 LEU 10 0.622 10.477 1.513 85 HD23 LEU 10 3HD2 LEU 10 -0.433 11.554 0.597 86 H GLN 11 H GLN 11 5.636 10.722 0.969 87 HA GLN 11 HA GLN 11 5.220 11.350 3.647 88 HB2 GLN 11 2HB GLN 11 7.097 9.890 2.170 89 HB3 GLN 11 3HB GLN 11 8.040 11.083 3.053 90 HG2 GLN 11 2HG GLN 11 7.850 9.924 4.923 91 HG3 GLN 11 3HG GLN 11 6.092 9.926 4.795 92 HE21 GLN 11 1HE2 GLN 11 8.665 7.978 5.093 93 HE22 GLN 11 2HE2 GLN 11 8.056 6.542 4.350 94 H THR 12 H THR 12 6.759 13.175 1.116 95 HA THR 12 HA THR 12 8.076 15.036 2.850 96 HB THR 12 HB THR 12 7.506 15.021 -0.106 97 HG1 THR 12 HG1 THR 12 9.296 13.874 0.194 98 HG21 THR 12 1HG2 THR 12 8.588 17.248 1.591 99 HG22 THR 12 2HG2 THR 12 7.373 17.317 0.315 100 HG23 THR 12 3HG2 THR 12 9.070 17.070 -0.095 101 H ALA 13 H ALA 13 5.288 15.364 0.644 102 HA ALA 13 HA ALA 13 4.490 17.907 1.321 103 HB1 ALA 13 1HB ALA 13 3.342 15.664 -0.035 104 HB2 ALA 13 2HB ALA 13 2.117 16.439 0.971 105 HB3 ALA 13 3HB ALA 13 2.996 17.382 -0.233 106 H LYS 14 H LYS 14 3.612 14.862 2.918 107 HA LYS 14 HA LYS 14 1.903 16.066 4.845 108 HB2 LYS 14 2HB LYS 14 2.861 13.409 4.204 109 HB3 LYS 14 3HB LYS 14 2.866 13.677 5.942 110 HG2 LYS 14 2HG LYS 14 0.421 14.646 4.776 111 HG3 LYS 14 3HG LYS 14 0.701 12.957 4.343 112 HD2 LYS 14 2HD LYS 14 1.261 13.567 7.149 113 HD3 LYS 14 3HD LYS 14 -0.421 13.834 6.684 114 HE2 LYS 14 2HE LYS 14 1.003 11.307 5.931 115 HE3 LYS 14 3HE LYS 14 0.289 11.498 7.532 116 HZ1 LYS 14 1HZ LYS 14 -1.683 12.305 5.844 117 HZ2 LYS 14 2HZ LYS 14 -1.580 10.789 6.587 118 HZ3 LYS 14 3HZ LYS 14 -0.989 11.003 5.016 119 H ASN 15 H ASN 15 5.277 14.963 4.941 120 HA ASN 15 HA ASN 15 5.814 15.479 7.618 121 HB2 ASN 15 2HB ASN 15 7.410 14.267 6.298 122 HB3 ASN 15 3HB ASN 15 7.615 15.625 5.196 123 HD21 ASN 15 1HD2 ASN 15 9.613 16.323 5.443 124 HD22 ASN 15 2HD2 ASN 15 10.383 16.674 6.949 125 H ILE 16 H ILE 16 5.450 17.663 4.949 126 HA ILE 16 HA ILE 16 6.777 19.898 6.096 127 HB ILE 16 HB ILE 16 4.644 19.763 3.964 128 HG12 ILE 16 2HG1 ILE 16 7.489 20.502 3.457 129 HG13 ILE 16 3HG1 ILE 16 7.115 18.806 3.743 130 HG21 ILE 16 1HG2 ILE 16 4.400 21.952 4.392 131 HG22 ILE 16 2HG2 ILE 16 5.899 22.041 5.315 132 HG23 ILE 16 3HG2 ILE 16 5.943 22.115 3.554 133 HD11 ILE 16 1HD1 ILE 16 6.561 18.622 1.614 134 HD12 ILE 16 2HD1 ILE 16 5.223 19.737 1.890 135 HD13 ILE 16 3HD1 ILE 16 6.791 20.353 1.369 136 H THR 17 H THR 17 3.326 19.054 5.824 137 HA THR 17 HA THR 17 2.528 21.233 7.525 138 HB THR 17 HB THR 17 0.634 19.003 7.045 139 HG1 THR 17 HG1 THR 17 1.257 18.936 5.001 140 HG21 THR 17 1HG2 THR 17 -0.925 20.776 6.709 141 HG22 THR 17 2HG2 THR 17 0.368 21.959 6.514 142 HG23 THR 17 3HG2 THR 17 0.074 21.227 8.090 143 H GLU 18 H GLU 18 3.667 18.076 8.027 144 HA GLU 18 HA GLU 18 2.302 17.686 10.556 145 HB2 GLU 18 2HB GLU 18 2.844 15.793 9.004 146 HB3 GLU 18 3HB GLU 18 4.546 16.058 9.355 147 HG2 GLU 18 2HG GLU 18 4.188 14.467 10.896 148 HG3 GLU 18 3HG GLU 18 3.604 15.828 11.854 149 H ARG 19 H ARG 19 5.510 18.549 9.383 150 HA ARG 19 HA ARG 19 6.759 18.515 11.944 151 HB2 ARG 19 2HB ARG 19 7.895 18.355 9.663 152 HB3 ARG 19 3HB ARG 19 7.685 20.098 9.552 153 HG2 ARG 19 2HG ARG 19 8.840 19.746 12.032 154 HG3 ARG 19 3HG ARG 19 9.648 18.549 11.017 155 HD2 ARG 19 2HD ARG 19 10.070 20.367 9.354 156 HD3 ARG 19 3HD ARG 19 9.435 21.515 10.532 157 HE ARG 19 HE ARG 19 11.397 21.349 11.711 158 HH11 ARG 19 1HH1 ARG 19 12.870 18.276 9.610 159 HH12 ARG 19 2HH1 ARG 19 11.231 18.782 9.365 160 HH21 ARG 19 1HH2 ARG 19 14.191 19.363 11.134 161 HH22 ARG 19 2HH2 ARG 19 13.556 20.692 12.043 162 H VAL 20 H VAL 20 5.082 20.937 10.045 163 HA VAL 20 HA VAL 20 5.866 23.181 11.607 164 HB VAL 20 HB VAL 20 5.041 23.485 9.340 165 HG11 VAL 20 1HG1 VAL 20 3.306 21.563 9.705 166 HG12 VAL 20 2HG1 VAL 20 2.243 22.887 10.187 167 HG13 VAL 20 3HG1 VAL 20 2.960 22.871 8.575 168 HG21 VAL 20 1HG2 VAL 20 3.294 25.242 9.819 169 HG22 VAL 20 2HG2 VAL 20 3.366 24.735 11.507 170 HG23 VAL 20 3HG2 VAL 20 4.801 25.396 10.722 171 H SER 21 H SER 21 2.990 21.102 11.593 172 HA SER 21 HA SER 21 1.509 22.453 13.533 173 HB2 SER 21 2HB SER 21 0.729 20.547 12.051 174 HB3 SER 21 3HB SER 21 1.531 19.452 13.177 175 HG SER 21 HG SER 21 -0.528 19.596 13.897 176 H MET 22 H MET 22 3.756 19.719 13.929 177 HA MET 22 HA MET 22 3.553 19.426 16.682 178 HB2 MET 22 2HB MET 22 5.304 18.514 14.594 179 HB3 MET 22 3HB MET 22 6.254 18.951 16.008 180 HG2 MET 22 2HG MET 22 5.478 17.233 17.228 181 HG3 MET 22 3HG MET 22 3.856 17.344 16.550 182 HE1 MET 22 1HE MET 22 7.404 16.949 15.172 183 HE2 MET 22 2HE MET 22 7.413 15.498 16.174 184 HE3 MET 22 3HE MET 22 7.413 15.355 14.416 185 H ALA 23 H ALA 23 5.621 21.587 14.793 186 HA ALA 23 HA ALA 23 7.107 22.609 16.966 187 HB1 ALA 23 1HB ALA 23 7.035 24.637 15.082 188 HB2 ALA 23 2HB ALA 23 8.228 23.341 15.187 189 HB3 ALA 23 3HB ALA 23 6.823 23.163 14.136 190 H THR 24 H THR 24 3.955 23.351 15.697 191 HA THR 24 HA THR 24 3.722 25.864 17.098 192 HB THR 24 HB THR 24 1.146 25.017 16.396 193 HG1 THR 24 HG1 THR 24 2.925 24.484 14.242 194 HG21 THR 24 1HG2 THR 24 1.367 27.172 15.812 195 HG22 THR 24 2HG2 THR 24 2.002 26.563 14.284 196 HG23 THR 24 3HG2 THR 24 3.108 27.018 15.580 197 H ALA 25 H ALA 25 2.825 22.522 17.618 198 HA ALA 25 HA ALA 25 1.142 23.109 19.888 199 HB1 ALA 25 1HB ALA 25 1.145 21.058 18.187 200 HB2 ALA 25 2HB ALA 25 2.158 20.363 19.453 201 HB3 ALA 25 3HB ALA 25 0.531 20.925 19.835 202 H SER 26 H SER 26 4.272 21.461 19.430 203 HA SER 26 HA SER 26 4.860 21.055 22.124 204 HB2 SER 26 2HB SER 26 6.073 20.278 19.900 205 HB3 SER 26 3HB SER 26 7.081 21.687 20.227 206 HG SER 26 HG SER 26 6.788 19.321 21.691 207 H SER 27 H SER 27 5.515 23.828 20.035 208 HA SER 27 HA SER 27 7.115 25.284 21.822 209 HB2 SER 27 2HB SER 27 7.021 25.923 19.498 210 HB3 SER 27 3HB SER 27 5.286 26.220 19.601 211 HG SER 27 HG SER 27 7.074 27.618 21.266 212 H GLN 28 H GLN 28 3.623 25.559 21.163 213 HA GLN 28 HA GLN 28 3.333 26.923 23.756 214 HB2 GLN 28 2HB GLN 28 2.170 27.404 21.117 215 HB3 GLN 28 3HB GLN 28 0.969 27.348 22.400 216 HG2 GLN 28 2HG GLN 28 3.435 29.051 22.563 217 HG3 GLN 28 3HG GLN 28 1.927 29.614 21.842 218 HE21 GLN 28 1HE2 GLN 28 3.380 30.547 24.214 219 HE22 GLN 28 2HE2 GLN 28 2.255 30.452 25.521 220 H VAL 29 H VAL 29 0.983 25.277 21.667 221 HA VAL 29 HA VAL 29 0.681 22.930 23.125 222 HB VAL 29 HB VAL 29 -0.008 24.157 25.041 223 HG11 VAL 29 1HG1 VAL 29 -1.949 25.621 23.255 224 HG12 VAL 29 2HG1 VAL 29 -1.807 25.813 25.003 225 HG13 VAL 29 3HG1 VAL 29 -0.473 26.290 23.952 226 HG21 VAL 29 1HG2 VAL 29 -1.349 22.162 24.477 227 HG22 VAL 29 2HG2 VAL 29 -2.263 23.358 25.396 228 HG23 VAL 29 3HG2 VAL 29 -2.513 23.203 23.657 229 H LEU 30 H LEU 30 -0.738 25.427 21.160 230 HA LEU 30 HA LEU 30 -1.991 25.301 19.258 231 HB2 LEU 30 2HB LEU 30 -0.648 23.068 19.078 232 HB3 LEU 30 3HB LEU 30 -2.194 22.331 19.494 233 HG LEU 30 HG LEU 30 -2.839 24.036 17.422 234 HD11 LEU 30 1HD1 LEU 30 -0.863 24.554 16.469 235 HD12 LEU 30 2HD1 LEU 30 -1.032 22.950 15.757 236 HD13 LEU 30 3HD1 LEU 30 -0.029 23.176 17.190 237 HD21 LEU 30 1HD2 LEU 30 -3.341 21.523 18.020 238 HD22 LEU 30 2HD2 LEU 30 -2.068 21.221 16.836 239 HD23 LEU 30 3HD2 LEU 30 -3.513 22.119 16.369 240 H ILE 31 H ILE 31 -3.612 26.286 20.641 241 HA ILE 31 HA ILE 31 -6.035 24.693 20.689 242 HB ILE 31 HB ILE 31 -6.568 25.417 23.039 243 HG12 ILE 31 2HG1 ILE 31 -3.857 25.558 23.964 244 HG13 ILE 31 3HG1 ILE 31 -4.109 26.795 22.738 245 HG21 ILE 31 1HG2 ILE 31 -5.325 23.592 24.078 246 HG22 ILE 31 2HG2 ILE 31 -5.931 23.125 22.491 247 HG23 ILE 31 3HG2 ILE 31 -4.231 23.543 22.696 248 HD11 ILE 31 1HD1 ILE 31 -5.802 27.830 23.978 249 HD12 ILE 31 2HD1 ILE 31 -5.985 26.438 25.047 250 HD13 ILE 31 3HD1 ILE 31 -4.540 27.443 25.147 251 HA PRO 32 HA PRO 32 -7.910 28.511 19.599 252 HB2 PRO 32 2HB PRO 32 -10.406 28.178 20.614 253 HB3 PRO 32 3HB PRO 32 -9.827 27.313 19.186 254 HG2 PRO 32 2HG PRO 32 -10.010 26.376 22.023 255 HG3 PRO 32 3HG PRO 32 -10.432 25.515 20.531 256 HD2 PRO 32 2HD PRO 32 -8.105 25.091 21.850 257 HD3 PRO 32 3HD PRO 32 -8.240 24.957 20.085 258 H GLU 33 H GLU 33 -7.326 30.364 20.541 259 HA GLU 33 HA GLU 33 -8.072 30.797 23.360 260 HB2 GLU 33 2HB GLU 33 -5.687 30.767 23.198 261 HB3 GLU 33 3HB GLU 33 -5.708 31.817 21.789 262 HG2 GLU 33 2HG GLU 33 -6.347 33.693 23.080 263 HG3 GLU 33 3HG GLU 33 -6.695 32.690 24.487 264 H ILE 34 H ILE 34 -6.994 33.007 20.799 265 HA ILE 34 HA ILE 34 -9.608 34.271 20.699 266 HB ILE 34 HB ILE 34 -7.159 35.806 21.577 267 HG12 ILE 34 2HG1 ILE 34 -9.750 35.180 23.010 268 HG13 ILE 34 3HG1 ILE 34 -8.167 34.512 23.392 269 HG21 ILE 34 1HG2 ILE 34 -8.521 37.106 20.039 270 HG22 ILE 34 2HG2 ILE 34 -9.959 36.765 21.000 271 HG23 ILE 34 3HG2 ILE 34 -8.658 37.745 21.677 272 HD11 ILE 34 1HD1 ILE 34 -8.278 36.146 24.958 273 HD12 ILE 34 2HD1 ILE 34 -7.558 37.072 23.640 274 HD13 ILE 34 3HD1 ILE 34 -9.288 37.191 23.960 275 H ASN 35 H ASN 35 -6.333 35.390 19.876 276 HA ASN 35 HA ASN 35 -7.210 35.610 17.078 277 HB2 ASN 35 2HB ASN 35 -6.362 37.650 18.447 278 HB3 ASN 35 3HB ASN 35 -4.764 36.955 18.191 279 HD21 ASN 35 1HD2 ASN 35 -7.101 38.977 16.958 280 HD22 ASN 35 2HD2 ASN 35 -6.508 39.118 15.341 281 H LEU 36 H LEU 36 -5.300 33.768 19.123 282 HA LEU 36 HA LEU 36 -2.995 33.201 17.726 283 HB2 LEU 36 2HB LEU 36 -3.367 32.290 19.906 284 HB3 LEU 36 3HB LEU 36 -4.766 31.378 19.341 285 HG LEU 36 HG LEU 36 -2.162 30.765 18.066 286 HD11 LEU 36 1HD1 LEU 36 -1.136 30.572 20.056 287 HD12 LEU 36 2HD1 LEU 36 -2.063 29.076 20.173 288 HD13 LEU 36 3HD1 LEU 36 -2.653 30.542 20.956 289 HD21 LEU 36 1HD2 LEU 36 -3.742 29.350 17.257 290 HD22 LEU 36 2HD2 LEU 36 -4.721 29.423 18.722 291 HD23 LEU 36 3HD2 LEU 36 -3.268 28.422 18.680 292 H ASN 37 H ASN 37 -6.258 31.996 17.171 293 HA ASN 37 HA ASN 37 -5.696 29.973 15.340 294 HB2 ASN 37 2HB ASN 37 -8.096 31.815 15.292 295 HB3 ASN 37 3HB ASN 37 -7.997 30.197 14.604 296 HD21 ASN 37 1HD2 ASN 37 -9.771 31.356 16.659 297 HD22 ASN 37 2HD2 ASN 37 -9.611 30.324 18.036 298 H ASP 38 H ASP 38 -6.429 33.402 14.724 299 HA ASP 38 HA ASP 38 -6.239 33.360 11.952 300 HB2 ASP 38 2HB ASP 38 -6.584 35.308 13.920 301 HB3 ASP 38 3HB ASP 38 -5.125 35.799 13.065 302 H THR 39 H THR 39 -3.740 33.349 14.377 303 HA THR 39 HA THR 39 -1.613 34.007 12.555 304 HB THR 39 HB THR 39 -0.560 32.701 14.844 305 HG1 THR 39 HG1 THR 39 -2.290 34.739 15.714 306 HG21 THR 39 1HG2 THR 39 0.602 34.498 13.832 307 HG22 THR 39 2HG2 THR 39 0.099 35.087 15.417 308 HG23 THR 39 3HG2 THR 39 -0.788 35.574 13.972 309 H PHE 40 H PHE 40 -2.530 31.054 14.334 310 HA PHE 40 HA PHE 40 -0.651 29.356 13.156 311 HB2 PHE 40 2HB PHE 40 -2.022 28.833 15.182 312 HB3 PHE 40 3HB PHE 40 -3.408 28.581 14.125 313 HD1 PHE 40 HD1 PHE 40 0.126 27.565 13.610 314 HD2 PHE 40 HD2 PHE 40 -3.877 26.317 14.344 315 HE1 PHE 40 HE1 PHE 40 0.802 25.221 13.292 316 HE2 PHE 40 HE2 PHE 40 -3.207 23.971 14.028 317 HZ PHE 40 HZ PHE 40 -0.865 23.420 13.502 318 H ASP 41 H ASP 41 -3.930 30.208 12.158 319 HA ASP 41 HA ASP 41 -4.242 28.378 10.077 320 HB2 ASP 41 2HB ASP 41 -5.881 30.165 11.125 321 HB3 ASP 41 3HB ASP 41 -5.316 31.152 9.781 322 H THR 42 H THR 42 -3.334 31.814 9.736 323 HA THR 42 HA THR 42 -2.626 31.738 7.060 324 HB THR 42 HB THR 42 -2.715 33.719 8.860 325 HG1 THR 42 HG1 THR 42 -1.636 34.981 7.194 326 HG21 THR 42 1HG2 THR 42 0.243 33.429 8.374 327 HG22 THR 42 2HG2 THR 42 -0.538 32.875 9.856 328 HG23 THR 42 3HG2 THR 42 -0.582 34.583 9.420 329 H PHE 43 H PHE 43 -0.859 30.650 9.851 330 HA PHE 43 HA PHE 43 1.693 30.505 8.574 331 HB2 PHE 43 2HB PHE 43 1.353 30.653 11.053 332 HB3 PHE 43 3HB PHE 43 0.753 28.998 11.019 333 HD1 PHE 43 HD1 PHE 43 2.348 27.825 12.240 334 HD2 PHE 43 HD2 PHE 43 3.598 30.453 9.134 335 HE1 PHE 43 HE1 PHE 43 4.651 26.987 12.462 336 HE2 PHE 43 HE2 PHE 43 5.902 29.618 9.350 337 HZ PHE 43 HZ PHE 43 6.431 27.883 11.015 338 H ALA 44 H ALA 44 -0.543 27.946 9.663 339 HA ALA 44 HA ALA 44 0.741 25.814 8.418 340 HB1 ALA 44 1HB ALA 44 -0.928 25.407 10.082 341 HB2 ALA 44 2HB ALA 44 -2.170 26.184 9.100 342 HB3 ALA 44 3HB ALA 44 -1.461 24.657 8.577 343 H LEU 45 H LEU 45 -1.905 27.859 7.213 344 HA LEU 45 HA LEU 45 -2.513 26.642 4.850 345 HB2 LEU 45 2HB LEU 45 -3.281 28.914 5.948 346 HB3 LEU 45 3HB LEU 45 -2.123 29.593 4.806 347 HG LEU 45 HG LEU 45 -4.232 29.739 3.766 348 HD11 LEU 45 1HD1 LEU 45 -2.962 27.235 2.675 349 HD12 LEU 45 2HD1 LEU 45 -2.388 28.871 2.355 350 HD13 LEU 45 3HD1 LEU 45 -3.989 28.375 1.806 351 HD21 LEU 45 1HD2 LEU 45 -5.906 28.442 4.424 352 HD22 LEU 45 2HD2 LEU 45 -4.786 27.365 5.259 353 HD23 LEU 45 3HD2 LEU 45 -5.172 27.092 3.559 354 H ASP 46 H ASP 46 -0.077 29.236 5.134 355 HA ASP 46 HA ASP 46 0.970 29.144 2.605 356 HB2 ASP 46 2HB ASP 46 1.623 30.455 4.912 357 HB3 ASP 46 3HB ASP 46 3.022 29.406 4.698 358 H PHE 47 H PHE 47 2.026 27.202 5.393 359 HA PHE 47 HA PHE 47 4.052 25.779 4.108 360 HB2 PHE 47 2HB PHE 47 2.545 25.558 6.594 361 HB3 PHE 47 3HB PHE 47 2.998 23.986 5.944 362 HD1 PHE 47 HD1 PHE 47 5.573 24.213 4.872 363 HD2 PHE 47 HD2 PHE 47 3.964 26.246 8.248 364 HE1 PHE 47 HE1 PHE 47 7.842 24.491 5.782 365 HE2 PHE 47 HE2 PHE 47 6.230 26.527 9.163 366 HZ PHE 47 HZ PHE 47 8.173 25.650 7.929 367 H SER 48 H SER 48 0.752 24.618 4.817 368 HA SER 48 HA SER 48 0.861 22.272 3.353 369 HB2 SER 48 2HB SER 48 -1.045 23.494 4.866 370 HB3 SER 48 3HB SER 48 -1.735 23.675 3.254 371 HG SER 48 HG SER 48 -1.579 21.432 2.992 372 H ARG 49 H ARG 49 0.550 25.537 2.253 373 HA ARG 49 HA ARG 49 -0.632 25.168 -0.243 374 HB2 ARG 49 2HB ARG 49 0.027 27.349 0.976 375 HB3 ARG 49 3HB ARG 49 1.595 27.135 0.210 376 HG2 ARG 49 2HG ARG 49 0.157 28.650 -1.054 377 HG3 ARG 49 3HG ARG 49 0.563 27.206 -1.983 378 HD2 ARG 49 2HD ARG 49 -1.571 26.413 -1.941 379 HD3 ARG 49 3HD ARG 49 -1.922 27.133 -0.370 380 HE ARG 49 HE ARG 49 -2.765 28.949 -1.458 381 HH11 ARG 49 1HH1 ARG 49 -1.031 28.237 -4.995 382 HH12 ARG 49 2HH1 ARG 49 -0.659 27.231 -3.634 383 HH21 ARG 49 1HH2 ARG 49 -2.511 29.971 -4.771 384 HH22 ARG 49 2HH2 ARG 49 -3.263 30.280 -3.242 385 H GLU 50 H GLU 50 2.836 25.220 0.582 386 HA GLU 50 HA GLU 50 3.735 24.568 -2.013 387 HB2 GLU 50 2HB GLU 50 4.925 25.296 0.377 388 HB3 GLU 50 3HB GLU 50 5.475 23.644 0.141 389 HG2 GLU 50 2HG GLU 50 5.704 25.786 -1.954 390 HG3 GLU 50 3HG GLU 50 6.973 25.414 -0.788 391 H LYS 51 H LYS 51 2.746 22.628 0.729 392 HA LYS 51 HA LYS 51 3.776 20.150 -0.087 393 HB2 LYS 51 2HB LYS 51 3.031 19.984 2.058 394 HB3 LYS 51 3HB LYS 51 1.682 21.079 1.787 395 HG2 LYS 51 2HG LYS 51 1.450 18.519 0.389 396 HG3 LYS 51 3HG LYS 51 1.471 18.395 2.149 397 HD2 LYS 51 2HD LYS 51 -0.490 19.562 2.390 398 HD3 LYS 51 3HD LYS 51 -0.261 20.465 0.890 399 HE2 LYS 51 2HE LYS 51 -2.109 18.776 0.833 400 HE3 LYS 51 3HE LYS 51 -0.893 18.585 -0.428 401 HZ1 LYS 51 1HZ LYS 51 -0.115 16.668 0.480 402 HZ2 LYS 51 2HZ LYS 51 -1.723 16.558 0.992 403 HZ3 LYS 51 3HZ LYS 51 -0.530 17.095 2.064 404 H LYS 52 H LYS 52 0.600 21.633 -0.671 405 HA LYS 52 HA LYS 52 -0.553 19.540 -2.107 406 HB2 LYS 52 2HB LYS 52 -1.896 21.387 -1.340 407 HB3 LYS 52 3HB LYS 52 -0.977 22.524 -2.318 408 HG2 LYS 52 2HG LYS 52 -3.046 22.145 -3.413 409 HG3 LYS 52 3HG LYS 52 -1.797 21.317 -4.347 410 HD2 LYS 52 2HD LYS 52 -3.408 19.685 -4.262 411 HD3 LYS 52 3HD LYS 52 -2.468 19.280 -2.824 412 HE2 LYS 52 2HE LYS 52 -4.081 20.061 -1.385 413 HE3 LYS 52 3HE LYS 52 -4.743 21.187 -2.569 414 HZ1 LYS 52 1HZ LYS 52 -6.348 19.650 -2.732 415 HZ2 LYS 52 2HZ LYS 52 -5.391 18.406 -2.103 416 HZ3 LYS 52 3HZ LYS 52 -5.253 18.836 -3.733 417 H LEU 53 H LEU 53 1.160 22.405 -3.357 418 HA LEU 53 HA LEU 53 1.041 21.820 -6.056 419 HB2 LEU 53 2HB LEU 53 2.404 23.647 -4.398 420 HB3 LEU 53 3HB LEU 53 3.619 22.900 -5.433 421 HG LEU 53 HG LEU 53 1.859 23.518 -7.318 422 HD11 LEU 53 1HD1 LEU 53 0.152 24.410 -5.903 423 HD12 LEU 53 2HD1 LEU 53 0.877 25.746 -6.796 424 HD13 LEU 53 3HD1 LEU 53 1.302 25.484 -5.105 425 HD21 LEU 53 1HD2 LEU 53 3.913 25.279 -6.012 426 HD22 LEU 53 2HD2 LEU 53 3.067 25.756 -7.485 427 HD23 LEU 53 3HD2 LEU 53 4.066 24.302 -7.473 428 H LEU 54 H LEU 54 3.029 20.409 -3.575 429 HA LEU 54 HA LEU 54 4.870 19.148 -5.382 430 HB2 LEU 54 2HB LEU 54 5.785 19.524 -3.290 431 HB3 LEU 54 3HB LEU 54 4.327 19.002 -2.448 432 HG LEU 54 HG LEU 54 5.849 16.963 -3.986 433 HD11 LEU 54 1HD1 LEU 54 7.165 16.624 -1.784 434 HD12 LEU 54 2HD1 LEU 54 6.818 18.331 -1.509 435 HD13 LEU 54 3HD1 LEU 54 7.720 17.834 -2.941 436 HD21 LEU 54 1HD2 LEU 54 3.745 17.053 -2.077 437 HD22 LEU 54 2HD2 LEU 54 5.107 16.190 -1.361 438 HD23 LEU 54 3HD2 LEU 54 4.431 15.651 -2.899 439 H GLU 55 H GLU 55 2.142 18.027 -3.391 440 HA GLU 55 HA GLU 55 2.236 15.339 -4.206 441 HB2 GLU 55 2HB GLU 55 0.994 16.063 -2.231 442 HB3 GLU 55 3HB GLU 55 -0.116 16.976 -3.243 443 HG2 GLU 55 2HG GLU 55 -0.844 14.880 -4.300 444 HG3 GLU 55 3HG GLU 55 0.227 13.987 -3.222 445 H CYS 56 H CYS 56 0.415 18.107 -5.463 446 HA CYS 56 HA CYS 56 -0.617 18.475 -7.455 447 HB2 CYS 56 2HB CYS 56 1.703 17.264 -8.120 448 HB3 CYS 56 3HB CYS 56 0.560 16.098 -8.776 449 HG CYS 56 HG CYS 56 0.636 17.383 -11.015 450 H LEU 57 H LEU 57 -2.201 17.548 -9.005 451 HA LEU 57 HA LEU 57 -4.103 16.383 -9.442 452 HB2 LEU 57 2HB LEU 57 -2.995 14.065 -7.904 453 HB3 LEU 57 3HB LEU 57 -4.052 14.054 -9.314 454 HG LEU 57 HG LEU 57 -1.165 14.911 -9.406 455 HD11 LEU 57 1HD1 LEU 57 -1.918 12.337 -10.589 456 HD12 LEU 57 2HD1 LEU 57 -1.957 12.381 -8.827 457 HD13 LEU 57 3HD1 LEU 57 -0.475 12.797 -9.686 458 HD21 LEU 57 1HD2 LEU 57 -3.367 14.884 -11.289 459 HD22 LEU 57 2HD2 LEU 57 -1.990 13.946 -11.868 460 HD23 LEU 57 3HD2 LEU 57 -1.779 15.639 -11.419 461 H ASP 58 H ASP 58 -6.012 15.333 -8.410 462 HA ASP 58 HA ASP 58 -6.266 15.179 -5.599 463 HB2 ASP 58 2HB ASP 58 -7.421 17.148 -5.041 464 HB3 ASP 58 3HB ASP 58 -6.082 17.707 -6.040 465 H TYR 59 H TYR 59 -8.894 15.628 -5.177 466 HA TYR 59 HA TYR 59 -10.344 14.241 -7.314 467 HB2 TYR 59 2HB TYR 59 -9.476 12.655 -5.478 468 HB3 TYR 59 3HB TYR 59 -10.681 13.410 -4.440 469 HD1 TYR 59 HD1 TYR 59 -10.129 11.179 -7.280 470 HD2 TYR 59 HD2 TYR 59 -13.064 13.067 -4.847 471 HE1 TYR 59 HE1 TYR 59 -11.837 9.644 -8.161 472 HE2 TYR 59 HE2 TYR 59 -14.780 11.537 -5.720 473 HH TYR 59 HH TYR 59 -15.242 10.010 -7.323 474 H LEU 60 H LEU 60 -12.545 14.671 -7.407 475 HA LEU 60 HA LEU 60 -14.438 15.910 -7.193 476 HB2 LEU 60 2HB LEU 60 -14.035 14.870 -4.787 477 HB3 LEU 60 3HB LEU 60 -13.822 16.568 -4.362 478 HG LEU 60 HG LEU 60 -16.278 15.626 -5.806 479 HD11 LEU 60 1HD1 LEU 60 -16.387 14.228 -3.953 480 HD12 LEU 60 2HD1 LEU 60 -17.290 15.653 -3.440 481 HD13 LEU 60 3HD1 LEU 60 -15.632 15.416 -2.889 482 HD21 LEU 60 1HD2 LEU 60 -17.001 17.714 -5.509 483 HD22 LEU 60 2HD2 LEU 60 -15.331 18.119 -5.108 484 HD23 LEU 60 3HD2 LEU 60 -16.481 17.743 -3.824 Start of MODEL 17 1 H LEU 1 H LEU 1 10.994 0.594 1.381 2 HA LEU 1 HA LEU 1 9.261 2.511 0.793 3 HB2 LEU 1 2HB LEU 1 10.442 3.248 3.467 4 HB3 LEU 1 3HB LEU 1 9.449 4.295 2.456 5 HG LEU 1 HG LEU 1 7.715 2.309 2.747 6 HD11 LEU 1 1HD1 LEU 1 9.711 1.932 4.916 7 HD12 LEU 1 2HD1 LEU 1 8.748 0.741 4.043 8 HD13 LEU 1 3HD1 LEU 1 8.002 1.725 5.302 9 HD21 LEU 1 1HD2 LEU 1 8.268 4.404 4.846 10 HD22 LEU 1 2HD2 LEU 1 6.743 3.549 4.617 11 HD23 LEU 1 3HD2 LEU 1 7.340 4.639 3.364 12 H LYS 2 H LYS 2 11.442 1.637 -0.423 13 HA LYS 2 HA LYS 2 13.186 4.002 -0.487 14 HB2 LYS 2 2HB LYS 2 13.934 1.210 0.011 15 HB3 LYS 2 3HB LYS 2 14.865 1.973 -1.271 16 HG2 LYS 2 2HG LYS 2 15.250 3.878 0.386 17 HG3 LYS 2 3HG LYS 2 14.662 2.755 1.615 18 HD2 LYS 2 2HD LYS 2 16.534 1.495 1.541 19 HD3 LYS 2 3HD LYS 2 16.714 1.680 -0.205 20 HE2 LYS 2 2HE LYS 2 18.352 3.131 0.179 21 HE3 LYS 2 3HE LYS 2 17.158 4.223 0.880 22 HZ1 LYS 2 1HZ LYS 2 19.184 2.650 2.175 23 HZ2 LYS 2 2HZ LYS 2 17.662 2.490 2.895 24 HZ3 LYS 2 3HZ LYS 2 18.362 4.021 2.729 25 H GLU 3 H GLU 3 13.475 4.833 -2.463 26 HA GLU 3 HA GLU 3 13.271 5.154 -4.706 27 HB2 GLU 3 2HB GLU 3 13.688 2.171 -4.924 28 HB3 GLU 3 3HB GLU 3 14.012 3.382 -6.157 29 HG2 GLU 3 2HG GLU 3 15.693 4.367 -4.530 30 HG3 GLU 3 3HG GLU 3 15.506 2.877 -3.607 31 H ASN 4 H ASN 4 11.049 5.713 -4.511 32 HA ASN 4 HA ASN 4 9.316 3.916 -5.990 33 HB2 ASN 4 2HB ASN 4 8.445 4.968 -3.291 34 HB3 ASN 4 3HB ASN 4 7.527 3.916 -4.364 35 HD21 ASN 4 1HD2 ASN 4 9.974 4.117 -1.971 36 HD22 ASN 4 2HD2 ASN 4 10.270 2.422 -1.814 37 H ASP 5 H ASP 5 6.951 5.150 -5.857 38 HA ASP 5 HA ASP 5 7.540 7.918 -6.680 39 HB2 ASP 5 2HB ASP 5 5.558 5.927 -7.780 40 HB3 ASP 5 3HB ASP 5 5.468 7.650 -8.136 41 H HIS 6 H HIS 6 4.612 6.053 -5.866 42 HA HIS 6 HA HIS 6 3.297 8.266 -4.698 43 HB2 HIS 6 2HB HIS 6 2.253 6.129 -5.641 44 HB3 HIS 6 3HB HIS 6 2.665 5.378 -4.102 45 HD1 HIS 6 HD1 HIS 6 0.150 5.043 -3.561 46 HD2 HIS 6 HD2 HIS 6 1.290 9.012 -4.017 47 HE1 HIS 6 HE1 HIS 6 -1.763 6.400 -2.654 48 H ALA 7 H ALA 7 5.524 5.919 -3.464 49 HA ALA 7 HA ALA 7 4.907 6.151 -0.711 50 HB1 ALA 7 1HB ALA 7 7.704 5.587 -1.487 51 HB2 ALA 7 2HB ALA 7 6.641 4.737 -0.365 52 HB3 ALA 7 3HB ALA 7 6.471 4.487 -2.103 53 H ARG 8 H ARG 8 7.278 7.796 -2.781 54 HA ARG 8 HA ARG 8 8.293 9.421 -0.652 55 HB2 ARG 8 2HB ARG 8 9.489 10.622 -2.455 56 HB3 ARG 8 3HB ARG 8 9.723 8.880 -2.529 57 HG2 ARG 8 2HG ARG 8 8.217 8.679 -4.365 58 HG3 ARG 8 3HG ARG 8 7.711 10.362 -4.202 59 HD2 ARG 8 2HD ARG 8 10.468 10.499 -4.462 60 HD3 ARG 8 3HD ARG 8 9.992 9.232 -5.591 61 HE ARG 8 HE ARG 8 8.994 10.823 -6.906 62 HH11 ARG 8 1HH1 ARG 8 9.262 13.796 -4.238 63 HH12 ARG 8 2HH1 ARG 8 9.669 12.178 -3.771 64 HH21 ARG 8 1HH2 ARG 8 8.570 14.233 -6.378 65 HH22 ARG 8 2HH2 ARG 8 8.455 12.948 -7.533 66 H PHE 9 H PHE 9 5.762 9.708 -3.027 67 HA PHE 9 HA PHE 9 5.411 12.526 -2.809 68 HB2 PHE 9 2HB PHE 9 3.936 10.267 -4.048 69 HB3 PHE 9 3HB PHE 9 3.003 11.716 -3.686 70 HD1 PHE 9 HD1 PHE 9 4.574 13.937 -4.312 71 HD2 PHE 9 HD2 PHE 9 4.537 10.147 -6.249 72 HE1 PHE 9 HE1 PHE 9 5.403 14.988 -6.377 73 HE2 PHE 9 HE2 PHE 9 5.366 11.191 -8.316 74 HZ PHE 9 HZ PHE 9 5.801 13.614 -8.382 75 H LEU 10 H LEU 10 3.955 9.728 -1.228 76 HA LEU 10 HA LEU 10 2.035 11.261 0.239 77 HB2 LEU 10 2HB LEU 10 2.285 8.636 -0.371 78 HB3 LEU 10 3HB LEU 10 2.848 8.637 1.299 79 HG LEU 10 HG LEU 10 0.276 10.004 0.724 80 HD11 LEU 10 1HD1 LEU 10 -0.734 7.613 1.138 81 HD12 LEU 10 2HD1 LEU 10 0.761 7.091 0.364 82 HD13 LEU 10 3HD1 LEU 10 -0.343 8.168 -0.490 83 HD21 LEU 10 1HD2 LEU 10 -0.087 9.690 2.924 84 HD22 LEU 10 2HD2 LEU 10 1.663 9.473 2.979 85 HD23 LEU 10 3HD2 LEU 10 0.601 8.065 2.915 86 H GLN 11 H GLN 11 5.064 9.611 1.130 87 HA GLN 11 HA GLN 11 5.156 10.287 3.806 88 HB2 GLN 11 2HB GLN 11 6.735 8.764 2.573 89 HB3 GLN 11 3HB GLN 11 7.555 10.200 1.974 90 HG2 GLN 11 2HG GLN 11 8.447 10.717 4.019 91 HG3 GLN 11 3HG GLN 11 7.172 9.882 4.907 92 HE21 GLN 11 1HE2 GLN 11 9.981 9.362 2.841 93 HE22 GLN 11 2HE2 GLN 11 10.410 7.825 3.503 94 H THR 12 H THR 12 5.787 12.262 1.010 95 HA THR 12 HA THR 12 7.086 14.379 2.446 96 HB THR 12 HB THR 12 5.857 14.337 -0.316 97 HG1 THR 12 HG1 THR 12 7.927 13.115 0.413 98 HG21 THR 12 1HG2 THR 12 7.363 16.382 -0.611 99 HG22 THR 12 2HG2 THR 12 7.411 16.453 1.150 100 HG23 THR 12 3HG2 THR 12 5.873 16.607 0.302 101 H ALA 13 H ALA 13 3.899 14.114 0.861 102 HA ALA 13 HA ALA 13 2.813 16.517 1.648 103 HB1 ALA 13 1HB ALA 13 1.284 15.574 0.319 104 HB2 ALA 13 2HB ALA 13 1.772 13.939 0.765 105 HB3 ALA 13 3HB ALA 13 0.653 14.837 1.791 106 H LYS 14 H LYS 14 2.841 13.456 3.442 107 HA LYS 14 HA LYS 14 1.375 14.455 5.666 108 HB2 LYS 14 2HB LYS 14 2.999 12.004 5.117 109 HB3 LYS 14 3HB LYS 14 2.548 12.373 6.777 110 HG2 LYS 14 2HG LYS 14 0.546 12.199 4.543 111 HG3 LYS 14 3HG LYS 14 1.018 10.812 5.528 112 HD2 LYS 14 2HD LYS 14 0.153 11.795 7.497 113 HD3 LYS 14 3HD LYS 14 -0.000 13.376 6.729 114 HE2 LYS 14 2HE LYS 14 -1.668 12.305 5.159 115 HE3 LYS 14 3HE LYS 14 -1.637 10.901 6.224 116 HZ1 LYS 14 1HZ LYS 14 -3.467 12.452 6.708 117 HZ2 LYS 14 2HZ LYS 14 -2.338 13.651 7.094 118 HZ3 LYS 14 3HZ LYS 14 -2.428 12.243 8.027 119 H ASN 15 H ASN 15 4.836 13.933 5.065 120 HA ASN 15 HA ASN 15 5.785 14.701 7.575 121 HB2 ASN 15 2HB ASN 15 7.244 13.607 5.991 122 HB3 ASN 15 3HB ASN 15 7.073 14.938 4.849 123 HD21 ASN 15 1HD2 ASN 15 7.686 14.857 8.338 124 HD22 ASN 15 2HD2 ASN 15 9.159 15.759 8.273 125 H ILE 16 H ILE 16 4.462 16.577 5.019 126 HA ILE 16 HA ILE 16 5.675 19.069 5.727 127 HB ILE 16 HB ILE 16 3.255 18.422 4.048 128 HG12 ILE 16 2HG1 ILE 16 5.755 19.670 3.005 129 HG13 ILE 16 3HG1 ILE 16 5.797 17.958 3.413 130 HG21 ILE 16 1HG2 ILE 16 2.857 20.594 4.929 131 HG22 ILE 16 2HG2 ILE 16 4.528 21.081 4.650 132 HG23 ILE 16 3HG2 ILE 16 3.450 20.805 3.282 133 HD11 ILE 16 1HD1 ILE 16 4.603 17.386 1.617 134 HD12 ILE 16 2HD1 ILE 16 3.494 18.746 1.798 135 HD13 ILE 16 3HD1 ILE 16 5.054 18.980 1.011 136 H THR 17 H THR 17 2.402 17.732 6.178 137 HA THR 17 HA THR 17 1.607 19.896 7.893 138 HB THR 17 HB THR 17 0.066 17.353 7.894 139 HG1 THR 17 HG1 THR 17 -0.821 18.183 5.781 140 HG21 THR 17 1HG2 THR 17 -1.577 19.456 7.202 141 HG22 THR 17 2HG2 THR 17 -0.381 20.212 8.255 142 HG23 THR 17 3HG2 THR 17 -1.324 18.838 8.833 143 H GLU 18 H GLU 18 3.165 16.861 8.314 144 HA GLU 18 HA GLU 18 2.434 16.512 11.073 145 HB2 GLU 18 2HB GLU 18 4.395 15.168 9.234 146 HB3 GLU 18 3HB GLU 18 4.386 14.820 10.957 147 HG2 GLU 18 2HG GLU 18 1.755 14.671 9.689 148 HG3 GLU 18 3HG GLU 18 2.926 13.503 9.080 149 H ARG 19 H ARG 19 5.190 17.812 9.302 150 HA ARG 19 HA ARG 19 6.856 18.183 11.573 151 HB2 ARG 19 2HB ARG 19 7.589 18.100 9.145 152 HB3 ARG 19 3HB ARG 19 6.982 19.743 8.994 153 HG2 ARG 19 2HG ARG 19 8.626 19.784 11.243 154 HG3 ARG 19 3HG ARG 19 9.484 18.801 10.055 155 HD2 ARG 19 2HD ARG 19 9.166 20.605 8.393 156 HD3 ARG 19 3HD ARG 19 8.408 21.588 9.645 157 HE ARG 19 HE ARG 19 10.964 20.727 10.490 158 HH11 ARG 19 1HH1 ARG 19 10.719 24.092 8.334 159 HH12 ARG 19 2HH1 ARG 19 9.410 22.956 8.312 160 HH21 ARG 19 1HH2 ARG 19 12.585 23.669 9.593 161 HH22 ARG 19 2HH2 ARG 19 12.692 22.215 10.526 162 H VAL 20 H VAL 20 4.744 20.372 9.736 163 HA VAL 20 HA VAL 20 5.251 22.730 11.099 164 HB VAL 20 HB VAL 20 3.906 22.759 9.107 165 HG11 VAL 20 1HG1 VAL 20 1.705 21.377 10.626 166 HG12 VAL 20 2HG1 VAL 20 1.753 21.772 8.907 167 HG13 VAL 20 3HG1 VAL 20 2.826 20.533 9.559 168 HG21 VAL 20 1HG2 VAL 20 2.874 24.597 9.812 169 HG22 VAL 20 2HG2 VAL 20 1.714 23.647 10.741 170 HG23 VAL 20 3HG2 VAL 20 3.250 24.119 11.468 171 H SER 21 H SER 21 2.896 20.186 11.863 172 HA SER 21 HA SER 21 1.776 21.480 14.111 173 HB2 SER 21 2HB SER 21 1.293 19.121 12.695 174 HB3 SER 21 3HB SER 21 1.720 18.583 14.319 175 HG SER 21 HG SER 21 -0.209 19.162 14.877 176 H MET 22 H MET 22 4.503 19.292 13.712 177 HA MET 22 HA MET 22 4.987 18.660 16.381 178 HB2 MET 22 2HB MET 22 6.125 17.846 14.161 179 HB3 MET 22 3HB MET 22 7.265 19.142 14.500 180 HG2 MET 22 2HG MET 22 7.852 18.158 16.602 181 HG3 MET 22 3HG MET 22 6.590 16.940 16.433 182 HE1 MET 22 1HE MET 22 8.985 18.094 13.405 183 HE2 MET 22 2HE MET 22 9.796 18.431 14.934 184 HE3 MET 22 3HE MET 22 10.410 17.165 13.871 185 H ALA 23 H ALA 23 6.052 21.441 14.469 186 HA ALA 23 HA ALA 23 7.680 22.578 16.497 187 HB1 ALA 23 1HB ALA 23 7.710 24.567 15.107 188 HB2 ALA 23 2HB ALA 23 7.930 23.125 14.115 189 HB3 ALA 23 3HB ALA 23 6.367 23.942 14.149 190 H THR 24 H THR 24 4.432 23.464 15.316 191 HA THR 24 HA THR 24 3.887 25.487 17.129 192 HB THR 24 HB THR 24 1.433 24.204 16.774 193 HG1 THR 24 HG1 THR 24 2.684 24.133 14.258 194 HG21 THR 24 1HG2 THR 24 1.149 26.359 16.242 195 HG22 THR 24 2HG2 THR 24 1.693 25.925 14.621 196 HG23 THR 24 3HG2 THR 24 2.845 26.551 15.800 197 H ALA 25 H ALA 25 3.254 22.005 17.435 198 HA ALA 25 HA ALA 25 2.016 22.145 19.971 199 HB1 ALA 25 1HB ALA 25 3.517 19.791 18.840 200 HB2 ALA 25 2HB ALA 25 2.228 19.769 20.044 201 HB3 ALA 25 3HB ALA 25 1.870 20.224 18.378 202 H SER 26 H SER 26 5.303 22.321 18.981 203 HA SER 26 HA SER 26 6.283 21.712 21.671 204 HB2 SER 26 2HB SER 26 7.750 22.201 19.070 205 HB3 SER 26 3HB SER 26 8.542 21.881 20.613 206 HG SER 26 HG SER 26 8.085 19.838 20.409 207 H SER 27 H SER 27 5.216 24.334 19.936 208 HA SER 27 HA SER 27 6.951 26.203 21.408 209 HB2 SER 27 2HB SER 27 6.970 26.399 18.916 210 HB3 SER 27 3HB SER 27 5.251 26.788 18.973 211 HG SER 27 HG SER 27 5.991 28.756 19.160 212 H GLN 28 H GLN 28 3.971 24.803 21.525 213 HA GLN 28 HA GLN 28 2.084 25.214 22.727 214 HB2 GLN 28 2HB GLN 28 3.957 26.090 24.336 215 HB3 GLN 28 3HB GLN 28 3.314 27.672 23.916 216 HG2 GLN 28 2HG GLN 28 1.695 27.428 25.395 217 HG3 GLN 28 3HG GLN 28 1.137 25.972 24.572 218 HE21 GLN 28 1HE2 GLN 28 1.514 26.858 27.473 219 HE22 GLN 28 2HE2 GLN 28 2.325 25.518 28.202 220 H VAL 29 H VAL 29 1.709 25.938 20.282 221 HA VAL 29 HA VAL 29 0.444 28.595 20.426 222 HB VAL 29 HB VAL 29 1.538 27.463 17.863 223 HG11 VAL 29 1HG1 VAL 29 -0.190 29.457 18.200 224 HG12 VAL 29 2HG1 VAL 29 1.307 30.364 18.429 225 HG13 VAL 29 3HG1 VAL 29 1.034 29.474 16.931 226 HG21 VAL 29 1HG2 VAL 29 3.454 27.614 19.278 227 HG22 VAL 29 2HG2 VAL 29 3.477 29.013 18.204 228 HG23 VAL 29 3HG2 VAL 29 2.957 29.196 19.879 229 H LEU 30 H LEU 30 -0.831 26.170 21.072 230 HA LEU 30 HA LEU 30 -2.783 26.007 18.877 231 HB2 LEU 30 2HB LEU 30 -1.776 23.736 20.583 232 HB3 LEU 30 3HB LEU 30 -3.129 23.626 19.459 233 HG LEU 30 HG LEU 30 -1.313 24.413 17.719 234 HD11 LEU 30 1HD1 LEU 30 0.677 24.686 18.720 235 HD12 LEU 30 2HD1 LEU 30 0.774 22.929 18.605 236 HD13 LEU 30 3HD1 LEU 30 0.236 23.686 20.104 237 HD21 LEU 30 1HD2 LEU 30 -2.512 22.354 17.504 238 HD22 LEU 30 2HD2 LEU 30 -1.601 21.625 18.826 239 HD23 LEU 30 3HD2 LEU 30 -0.794 22.009 17.306 240 H ILE 31 H ILE 31 -2.903 27.718 21.132 241 HA ILE 31 HA ILE 31 -5.385 26.735 22.319 242 HB ILE 31 HB ILE 31 -4.739 27.455 24.568 243 HG12 ILE 31 2HG1 ILE 31 -2.080 27.633 24.769 244 HG13 ILE 31 3HG1 ILE 31 -2.257 28.260 23.133 245 HG21 ILE 31 1HG2 ILE 31 -4.227 25.106 23.483 246 HG22 ILE 31 2HG2 ILE 31 -2.559 25.588 23.792 247 HG23 ILE 31 3HG2 ILE 31 -3.710 25.491 25.125 248 HD11 ILE 31 1HD1 ILE 31 -4.046 29.393 25.189 249 HD12 ILE 31 2HD1 ILE 31 -2.334 29.803 25.297 250 HD13 ILE 31 3HD1 ILE 31 -3.237 30.169 23.828 251 HA PRO 32 HA PRO 32 -6.786 30.843 21.649 252 HB2 PRO 32 2HB PRO 32 -8.641 31.074 23.617 253 HB3 PRO 32 3HB PRO 32 -8.887 30.078 22.178 254 HG2 PRO 32 2HG PRO 32 -8.038 29.256 24.928 255 HG3 PRO 32 3HG PRO 32 -9.198 28.478 23.836 256 HD2 PRO 32 2HD PRO 32 -6.658 27.589 24.136 257 HD3 PRO 32 3HD PRO 32 -7.542 27.454 22.603 258 H GLU 33 H GLU 33 -6.755 32.978 22.490 259 HA GLU 33 HA GLU 33 -6.041 33.637 25.133 260 HB2 GLU 33 2HB GLU 33 -3.755 34.134 25.011 261 HB3 GLU 33 3HB GLU 33 -3.892 32.570 24.221 262 HG2 GLU 33 2HG GLU 33 -4.022 33.876 22.036 263 HG3 GLU 33 3HG GLU 33 -3.465 35.261 22.974 264 H ILE 34 H ILE 34 -6.029 34.500 21.734 265 HA ILE 34 HA ILE 34 -7.446 36.907 22.187 266 HB ILE 34 HB ILE 34 -5.286 37.742 22.951 267 HG12 ILE 34 2HG1 ILE 34 -5.462 39.012 20.277 268 HG13 ILE 34 3HG1 ILE 34 -6.945 38.978 21.224 269 HG21 ILE 34 1HG2 ILE 34 -4.024 37.548 20.292 270 HG22 ILE 34 2HG2 ILE 34 -3.311 37.431 21.901 271 HG23 ILE 34 3HG2 ILE 34 -4.151 36.045 21.206 272 HD11 ILE 34 1HD1 ILE 34 -5.825 41.041 21.632 273 HD12 ILE 34 2HD1 ILE 34 -5.700 40.050 23.086 274 HD13 ILE 34 3HD1 ILE 34 -4.316 40.207 22.005 275 H ASN 35 H ASN 35 -5.358 35.041 20.052 276 HA ASN 35 HA ASN 35 -7.222 34.907 17.974 277 HB2 ASN 35 2HB ASN 35 -6.147 37.413 18.013 278 HB3 ASN 35 3HB ASN 35 -5.044 36.588 16.915 279 HD21 ASN 35 1HD2 ASN 35 -5.585 36.721 14.873 280 HD22 ASN 35 2HD2 ASN 35 -7.189 36.867 14.245 281 H LEU 36 H LEU 36 -5.344 33.260 19.393 282 HA LEU 36 HA LEU 36 -3.113 32.648 17.733 283 HB2 LEU 36 2HB LEU 36 -3.089 32.110 20.087 284 HB3 LEU 36 3HB LEU 36 -4.488 31.055 19.891 285 HG LEU 36 HG LEU 36 -2.047 30.406 18.328 286 HD11 LEU 36 1HD1 LEU 36 -1.553 29.005 20.572 287 HD12 LEU 36 2HD1 LEU 36 -2.166 30.504 21.269 288 HD13 LEU 36 3HD1 LEU 36 -0.777 30.540 20.182 289 HD21 LEU 36 1HD2 LEU 36 -2.855 28.097 19.221 290 HD22 LEU 36 2HD2 LEU 36 -3.750 28.902 17.932 291 HD23 LEU 36 3HD2 LEU 36 -4.342 28.971 19.593 292 H ASN 37 H ASN 37 -6.382 31.363 18.046 293 HA ASN 37 HA ASN 37 -6.128 29.090 16.455 294 HB2 ASN 37 2HB ASN 37 -8.138 29.999 17.879 295 HB3 ASN 37 3HB ASN 37 -8.628 30.739 16.358 296 HD21 ASN 37 1HD2 ASN 37 -9.314 28.265 18.212 297 HD22 ASN 37 2HD2 ASN 37 -9.694 27.052 17.042 298 H ASP 38 H ASP 38 -7.072 32.390 15.520 299 HA ASP 38 HA ASP 38 -7.464 31.922 12.801 300 HB2 ASP 38 2HB ASP 38 -6.742 34.342 14.410 301 HB3 ASP 38 3HB ASP 38 -6.710 34.435 12.652 302 H THR 39 H THR 39 -4.531 32.319 14.636 303 HA THR 39 HA THR 39 -2.852 32.707 12.326 304 HB THR 39 HB THR 39 -1.307 31.833 14.550 305 HG1 THR 39 HG1 THR 39 -2.901 34.002 15.361 306 HG21 THR 39 1HG2 THR 39 -0.865 33.569 12.705 307 HG22 THR 39 2HG2 THR 39 -0.265 33.921 14.326 308 HG23 THR 39 3HG2 THR 39 -1.739 34.694 13.743 309 H PHE 40 H PHE 40 -3.316 30.083 14.693 310 HA PHE 40 HA PHE 40 -1.589 28.235 13.504 311 HB2 PHE 40 2HB PHE 40 -2.657 28.083 15.796 312 HB3 PHE 40 3HB PHE 40 -4.122 27.531 14.990 313 HD1 PHE 40 HD1 PHE 40 -0.571 26.702 14.272 314 HD2 PHE 40 HD2 PHE 40 -4.361 25.317 15.628 315 HE1 PHE 40 HE1 PHE 40 0.287 24.396 14.304 316 HE2 PHE 40 HE2 PHE 40 -3.509 23.010 15.664 317 HZ PHE 40 HZ PHE 40 -1.182 22.546 15.002 318 H ASP 41 H ASP 41 -5.052 28.792 13.006 319 HA ASP 41 HA ASP 41 -5.568 26.664 11.278 320 HB2 ASP 41 2HB ASP 41 -7.113 28.554 12.368 321 HB3 ASP 41 3HB ASP 41 -6.937 29.255 10.762 322 H THR 42 H THR 42 -4.966 30.061 10.362 323 HA THR 42 HA THR 42 -4.747 29.625 7.617 324 HB THR 42 HB THR 42 -4.773 31.851 9.084 325 HG1 THR 42 HG1 THR 42 -4.799 32.710 7.142 326 HG21 THR 42 1HG2 THR 42 -1.922 31.879 8.168 327 HG22 THR 42 2HG2 THR 42 -2.335 31.248 9.762 328 HG23 THR 42 3HG2 THR 42 -2.727 32.915 9.344 329 H PHE 43 H PHE 43 -2.534 28.936 10.161 330 HA PHE 43 HA PHE 43 -0.159 28.911 8.563 331 HB2 PHE 43 2HB PHE 43 -0.219 29.207 11.066 332 HB3 PHE 43 3HB PHE 43 -0.616 27.496 11.193 333 HD1 PHE 43 HD1 PHE 43 1.278 26.707 12.334 334 HD2 PHE 43 HD2 PHE 43 1.745 29.021 8.792 335 HE1 PHE 43 HE1 PHE 43 3.674 26.150 12.289 336 HE2 PHE 43 HE2 PHE 43 4.141 28.467 8.741 337 HZ PHE 43 HZ PHE 43 5.109 27.028 10.490 338 H ALA 44 H ALA 44 -2.204 26.346 9.953 339 HA ALA 44 HA ALA 44 -0.837 24.227 8.652 340 HB1 ALA 44 1HB ALA 44 -3.471 23.400 9.217 341 HB2 ALA 44 2HB ALA 44 -2.007 23.085 10.150 342 HB3 ALA 44 3HB ALA 44 -2.991 24.504 10.506 343 H LEU 45 H LEU 45 -3.888 25.913 7.954 344 HA LEU 45 HA LEU 45 -4.803 24.491 5.806 345 HB2 LEU 45 2HB LEU 45 -6.236 26.165 6.371 346 HB3 LEU 45 3HB LEU 45 -4.943 27.339 6.608 347 HG LEU 45 HG LEU 45 -4.764 27.666 4.209 348 HD11 LEU 45 1HD1 LEU 45 -6.887 26.549 2.987 349 HD12 LEU 45 2HD1 LEU 45 -6.499 25.287 4.156 350 HD13 LEU 45 3HD1 LEU 45 -5.276 25.832 3.008 351 HD21 LEU 45 1HD2 LEU 45 -6.343 29.212 4.390 352 HD22 LEU 45 2HD2 LEU 45 -6.958 28.384 5.821 353 HD23 LEU 45 3HD2 LEU 45 -7.604 27.990 4.228 354 H ASP 46 H ASP 46 -2.676 27.346 5.555 355 HA ASP 46 HA ASP 46 -2.177 27.285 2.854 356 HB2 ASP 46 2HB ASP 46 -1.227 28.747 4.968 357 HB3 ASP 46 3HB ASP 46 0.215 27.874 4.457 358 H PHE 47 H PHE 47 -0.393 25.561 5.400 359 HA PHE 47 HA PHE 47 1.533 24.358 3.791 360 HB2 PHE 47 2HB PHE 47 0.487 23.992 6.487 361 HB3 PHE 47 3HB PHE 47 1.001 22.474 5.759 362 HD1 PHE 47 HD1 PHE 47 3.318 23.031 4.252 363 HD2 PHE 47 HD2 PHE 47 2.077 24.795 7.922 364 HE1 PHE 47 HE1 PHE 47 5.659 23.570 4.781 365 HE2 PHE 47 HE2 PHE 47 4.417 25.337 8.456 366 HZ PHE 47 HZ PHE 47 6.212 24.725 6.884 367 H SER 48 H SER 48 -1.591 23.021 4.866 368 HA SER 48 HA SER 48 -1.486 20.584 3.575 369 HB2 SER 48 2HB SER 48 -3.320 21.729 5.131 370 HB3 SER 48 3HB SER 48 -4.095 22.031 3.576 371 HG SER 48 HG SER 48 -4.823 20.067 4.052 372 H ARG 49 H ARG 49 -2.583 23.704 2.300 373 HA ARG 49 HA ARG 49 -3.594 22.974 -0.137 374 HB2 ARG 49 2HB ARG 49 -3.210 25.328 0.973 375 HB3 ARG 49 3HB ARG 49 -1.752 25.327 -0.010 376 HG2 ARG 49 2HG ARG 49 -4.287 24.638 -1.369 377 HG3 ARG 49 3HG ARG 49 -4.069 26.314 -0.862 378 HD2 ARG 49 2HD ARG 49 -1.664 25.827 -1.987 379 HD3 ARG 49 3HD ARG 49 -2.686 24.764 -2.954 380 HE ARG 49 HE ARG 49 -2.585 27.609 -3.069 381 HH11 ARG 49 1HH1 ARG 49 -5.778 25.683 -4.524 382 HH12 ARG 49 2HH1 ARG 49 -4.701 24.870 -3.437 383 HH21 ARG 49 1HH2 ARG 49 -5.374 27.855 -5.129 384 HH22 ARG 49 2HH2 ARG 49 -3.994 28.690 -4.500 385 H GLU 50 H GLU 50 -0.185 23.426 0.720 386 HA GLU 50 HA GLU 50 0.725 22.766 -1.933 387 HB2 GLU 50 2HB GLU 50 1.859 24.286 -0.137 388 HB3 GLU 50 3HB GLU 50 2.498 22.771 0.484 389 HG2 GLU 50 2HG GLU 50 3.533 22.310 -1.671 390 HG3 GLU 50 3HG GLU 50 2.878 23.816 -2.312 391 H LYS 51 H LYS 51 -0.038 21.058 0.949 392 HA LYS 51 HA LYS 51 1.577 18.747 0.404 393 HB2 LYS 51 2HB LYS 51 0.904 18.007 2.436 394 HB3 LYS 51 3HB LYS 51 0.391 19.676 2.645 395 HG2 LYS 51 2HG LYS 51 -1.509 18.607 3.285 396 HG3 LYS 51 3HG LYS 51 -1.832 18.763 1.557 397 HD2 LYS 51 2HD LYS 51 -0.517 16.427 1.549 398 HD3 LYS 51 3HD LYS 51 -1.212 16.360 3.170 399 HE2 LYS 51 2HE LYS 51 -3.425 16.597 2.308 400 HE3 LYS 51 3HE LYS 51 -2.818 16.952 0.691 401 HZ1 LYS 51 1HZ LYS 51 -2.122 14.746 0.404 402 HZ2 LYS 51 2HZ LYS 51 -3.662 14.626 1.092 403 HZ3 LYS 51 3HZ LYS 51 -2.288 14.374 2.046 404 H LYS 52 H LYS 52 -1.594 19.851 -0.461 405 HA LYS 52 HA LYS 52 -2.571 17.266 -1.266 406 HB2 LYS 52 2HB LYS 52 -4.203 18.856 -0.549 407 HB3 LYS 52 3HB LYS 52 -3.600 20.074 -1.665 408 HG2 LYS 52 2HG LYS 52 -5.672 19.165 -2.485 409 HG3 LYS 52 3HG LYS 52 -4.349 18.686 -3.552 410 HD2 LYS 52 2HD LYS 52 -4.308 16.483 -2.623 411 HD3 LYS 52 3HD LYS 52 -5.436 16.942 -1.346 412 HE2 LYS 52 2HE LYS 52 -6.905 17.588 -3.494 413 HE3 LYS 52 3HE LYS 52 -5.935 16.289 -4.188 414 HZ1 LYS 52 1HZ LYS 52 -6.697 14.799 -2.503 415 HZ2 LYS 52 2HZ LYS 52 -8.053 15.533 -3.199 416 HZ3 LYS 52 3HZ LYS 52 -7.505 16.038 -1.681 417 H LEU 53 H LEU 53 -1.426 20.183 -2.942 418 HA LEU 53 HA LEU 53 -1.700 19.112 -5.552 419 HB2 LEU 53 2HB LEU 53 -1.605 21.506 -5.132 420 HB3 LEU 53 3HB LEU 53 0.044 21.349 -4.531 421 HG LEU 53 HG LEU 53 -0.415 20.407 -7.290 422 HD11 LEU 53 1HD1 LEU 53 -1.014 23.168 -6.415 423 HD12 LEU 53 2HD1 LEU 53 -1.637 22.248 -7.785 424 HD13 LEU 53 3HD1 LEU 53 -0.035 22.981 -7.870 425 HD21 LEU 53 1HD2 LEU 53 1.796 20.554 -7.255 426 HD22 LEU 53 2HD2 LEU 53 1.735 21.202 -5.616 427 HD23 LEU 53 3HD2 LEU 53 1.681 22.296 -6.999 428 H LEU 54 H LEU 54 0.644 18.696 -3.085 429 HA LEU 54 HA LEU 54 2.740 17.833 -4.898 430 HB2 LEU 54 2HB LEU 54 3.394 19.032 -2.916 431 HB3 LEU 54 3HB LEU 54 2.548 17.875 -1.891 432 HG LEU 54 HG LEU 54 5.099 17.735 -2.011 433 HD11 LEU 54 1HD1 LEU 54 4.701 15.772 -1.068 434 HD12 LEU 54 2HD1 LEU 54 4.415 15.050 -2.651 435 HD13 LEU 54 3HD1 LEU 54 3.077 15.774 -1.758 436 HD21 LEU 54 1HD2 LEU 54 4.866 15.992 -4.359 437 HD22 LEU 54 2HD2 LEU 54 6.149 17.109 -3.894 438 HD23 LEU 54 3HD2 LEU 54 4.700 17.714 -4.698 439 H GLU 55 H GLU 55 0.184 16.456 -3.013 440 HA GLU 55 HA GLU 55 1.175 13.820 -2.791 441 HB2 GLU 55 2HB GLU 55 -0.634 14.448 -1.380 442 HB3 GLU 55 3HB GLU 55 -1.614 14.959 -2.747 443 HG2 GLU 55 2HG GLU 55 -0.844 12.178 -2.955 444 HG3 GLU 55 3HG GLU 55 -1.712 12.517 -1.458 445 H CYS 56 H CYS 56 -1.177 15.222 -5.075 446 HA CYS 56 HA CYS 56 -0.341 13.201 -7.038 447 HB2 CYS 56 2HB CYS 56 -2.453 12.425 -6.149 448 HB3 CYS 56 3HB CYS 56 -3.178 14.011 -6.380 449 HG CYS 56 HG CYS 56 -3.855 11.782 -8.271 450 H LEU 57 H LEU 57 -2.725 15.841 -7.050 451 HA LEU 57 HA LEU 57 -1.092 17.540 -8.676 452 HB2 LEU 57 2HB LEU 57 -2.885 15.643 -9.933 453 HB3 LEU 57 3HB LEU 57 -3.297 17.305 -10.349 454 HG LEU 57 HG LEU 57 -0.454 16.490 -10.611 455 HD11 LEU 57 1HD1 LEU 57 -0.880 15.565 -12.848 456 HD12 LEU 57 2HD1 LEU 57 -2.614 15.635 -12.533 457 HD13 LEU 57 3HD1 LEU 57 -1.585 14.576 -11.570 458 HD21 LEU 57 1HD2 LEU 57 -1.447 17.840 -12.863 459 HD22 LEU 57 2HD2 LEU 57 -0.430 18.488 -11.576 460 HD23 LEU 57 3HD2 LEU 57 -2.186 18.611 -11.459 461 H ASP 58 H ASP 58 -4.601 16.953 -8.457 462 HA ASP 58 HA ASP 58 -6.328 18.321 -7.879 463 HB2 ASP 58 2HB ASP 58 -5.125 17.965 -5.666 464 HB3 ASP 58 3HB ASP 58 -4.409 19.557 -5.905 465 H TYR 59 H TYR 59 -6.395 19.461 -9.846 466 HA TYR 59 HA TYR 59 -4.841 21.616 -10.604 467 HB2 TYR 59 2HB TYR 59 -6.699 20.372 -11.900 468 HB3 TYR 59 3HB TYR 59 -7.796 21.536 -11.166 469 HD1 TYR 59 HD1 TYR 59 -8.350 23.330 -12.491 470 HD2 TYR 59 HD2 TYR 59 -4.480 21.612 -12.903 471 HE1 TYR 59 HE1 TYR 59 -7.827 24.950 -14.266 472 HE2 TYR 59 HE2 TYR 59 -3.945 23.229 -14.678 473 HH TYR 59 HH TYR 59 -6.032 25.911 -15.411 474 H LEU 60 H LEU 60 -7.901 21.677 -8.787 475 HA LEU 60 HA LEU 60 -7.081 23.911 -7.226 476 HB2 LEU 60 2HB LEU 60 -7.878 24.733 -9.624 477 HB3 LEU 60 3HB LEU 60 -9.463 24.586 -8.866 478 HG LEU 60 HG LEU 60 -8.750 26.859 -8.688 479 HD11 LEU 60 1HD1 LEU 60 -8.861 27.198 -6.320 480 HD12 LEU 60 2HD1 LEU 60 -8.301 25.555 -6.010 481 HD13 LEU 60 3HD1 LEU 60 -9.886 25.824 -6.735 482 HD21 LEU 60 1HD2 LEU 60 -6.682 27.582 -7.860 483 HD22 LEU 60 2HD2 LEU 60 -6.286 26.235 -8.928 484 HD23 LEU 60 3HD2 LEU 60 -6.301 26.001 -7.179 Start of MODEL 18 1 H LEU 1 H LEU 1 3.843 1.166 2.778 2 HA LEU 1 HA LEU 1 4.029 0.314 0.630 3 HB2 LEU 1 2HB LEU 1 2.484 2.636 0.177 4 HB3 LEU 1 3HB LEU 1 3.815 2.664 -0.979 5 HG LEU 1 HG LEU 1 1.832 0.413 -0.641 6 HD11 LEU 1 1HD1 LEU 1 1.671 1.506 -3.200 7 HD12 LEU 1 2HD1 LEU 1 1.717 2.889 -2.108 8 HD13 LEU 1 3HD1 LEU 1 0.485 1.644 -1.902 9 HD21 LEU 1 1HD2 LEU 1 3.587 -0.719 -1.520 10 HD22 LEU 1 2HD2 LEU 1 4.336 0.732 -2.185 11 HD23 LEU 1 3HD2 LEU 1 2.974 -0.019 -3.018 12 H LYS 2 H LYS 2 5.776 0.212 -0.826 13 HA LYS 2 HA LYS 2 7.942 2.132 -0.269 14 HB2 LYS 2 2HB LYS 2 8.152 -0.834 -0.817 15 HB3 LYS 2 3HB LYS 2 9.523 0.258 -0.671 16 HG2 LYS 2 2HG LYS 2 9.132 0.616 1.617 17 HG3 LYS 2 3HG LYS 2 7.513 -0.082 1.531 18 HD2 LYS 2 2HD LYS 2 8.332 -2.091 2.014 19 HD3 LYS 2 3HD LYS 2 9.399 -2.015 0.610 20 HE2 LYS 2 2HE LYS 2 10.943 -2.237 2.286 21 HE3 LYS 2 3HE LYS 2 10.831 -0.480 2.193 22 HZ1 LYS 2 1HZ LYS 2 9.286 -0.509 4.043 23 HZ2 LYS 2 2HZ LYS 2 10.736 -1.264 4.478 24 HZ3 LYS 2 3HZ LYS 2 9.369 -2.197 4.126 25 H GLU 3 H GLU 3 9.012 3.000 -1.971 26 HA GLU 3 HA GLU 3 9.160 1.889 -4.550 27 HB2 GLU 3 2HB GLU 3 6.667 3.032 -4.037 28 HB3 GLU 3 3HB GLU 3 7.529 4.252 -4.963 29 HG2 GLU 3 2HG GLU 3 7.873 1.621 -6.103 30 HG3 GLU 3 3HG GLU 3 6.170 2.052 -5.956 31 H ASN 4 H ASN 4 9.731 3.749 -6.206 32 HA ASN 4 HA ASN 4 11.557 5.582 -4.798 33 HB2 ASN 4 2HB ASN 4 12.307 3.641 -6.509 34 HB3 ASN 4 3HB ASN 4 12.041 4.950 -7.656 35 HD21 ASN 4 1HD2 ASN 4 13.101 7.039 -7.081 36 HD22 ASN 4 2HD2 ASN 4 14.688 6.962 -6.404 37 H ASP 5 H ASP 5 8.823 6.204 -5.323 38 HA ASP 5 HA ASP 5 9.189 8.702 -6.696 39 HB2 ASP 5 2HB ASP 5 7.984 6.429 -8.076 40 HB3 ASP 5 3HB ASP 5 6.919 7.832 -8.024 41 H HIS 6 H HIS 6 6.303 6.689 -6.176 42 HA HIS 6 HA HIS 6 4.763 8.751 -5.076 43 HB2 HIS 6 2HB HIS 6 3.928 6.560 -6.028 44 HB3 HIS 6 3HB HIS 6 4.393 5.808 -4.505 45 HD1 HIS 6 HD1 HIS 6 2.613 9.126 -4.976 46 HD2 HIS 6 HD2 HIS 6 1.961 5.349 -3.373 47 HE1 HIS 6 HE1 HIS 6 0.385 9.263 -3.817 48 H ALA 7 H ALA 7 6.864 6.365 -3.567 49 HA ALA 7 HA ALA 7 6.135 6.678 -0.905 50 HB1 ALA 7 1HB ALA 7 8.573 5.785 -2.322 51 HB2 ALA 7 2HB ALA 7 8.751 6.219 -0.621 52 HB3 ALA 7 3HB ALA 7 7.605 4.965 -1.096 53 H ARG 8 H ARG 8 8.703 8.404 -2.680 54 HA ARG 8 HA ARG 8 9.460 10.113 -0.605 55 HB2 ARG 8 2HB ARG 8 10.883 9.919 -2.507 56 HB3 ARG 8 3HB ARG 8 9.600 10.420 -3.601 57 HG2 ARG 8 2HG ARG 8 11.187 12.209 -3.317 58 HG3 ARG 8 3HG ARG 8 9.644 12.661 -2.592 59 HD2 ARG 8 2HD ARG 8 10.462 12.570 -0.459 60 HD3 ARG 8 3HD ARG 8 11.670 11.351 -0.861 61 HE ARG 8 HE ARG 8 11.974 14.210 -0.999 62 HH11 ARG 8 1HH1 ARG 8 14.703 11.737 -2.569 63 HH12 ARG 8 2HH1 ARG 8 13.132 11.136 -2.151 64 HH21 ARG 8 1HH2 ARG 8 15.217 13.942 -2.224 65 HH22 ARG 8 2HH2 ARG 8 14.037 15.013 -1.546 66 H PHE 9 H PHE 9 7.087 10.585 -3.203 67 HA PHE 9 HA PHE 9 6.365 13.213 -2.590 68 HB2 PHE 9 2HB PHE 9 5.192 10.986 -4.130 69 HB3 PHE 9 3HB PHE 9 4.037 12.186 -3.558 70 HD1 PHE 9 HD1 PHE 9 7.512 13.002 -4.413 71 HD2 PHE 9 HD2 PHE 9 3.463 13.012 -5.724 72 HE1 PHE 9 HE1 PHE 9 8.125 14.478 -6.285 73 HE2 PHE 9 HE2 PHE 9 4.069 14.486 -7.598 74 HZ PHE 9 HZ PHE 9 6.402 15.220 -7.881 75 H LEU 10 H LEU 10 5.163 10.141 -1.331 76 HA LEU 10 HA LEU 10 3.076 11.290 0.230 77 HB2 LEU 10 2HB LEU 10 3.831 8.739 -0.517 78 HB3 LEU 10 3HB LEU 10 4.119 8.763 1.221 79 HG LEU 10 HG LEU 10 1.512 9.843 0.475 80 HD11 LEU 10 1HD1 LEU 10 0.531 8.062 -0.530 81 HD12 LEU 10 2HD1 LEU 10 1.644 6.898 0.189 82 HD13 LEU 10 3HD1 LEU 10 2.156 7.871 -1.189 83 HD21 LEU 10 1HD2 LEU 10 0.949 7.927 2.173 84 HD22 LEU 10 2HD2 LEU 10 1.725 9.415 2.718 85 HD23 LEU 10 3HD2 LEU 10 2.689 7.960 2.462 86 H GLN 11 H GLN 11 6.215 9.864 1.150 87 HA GLN 11 HA GLN 11 6.124 10.541 3.850 88 HB2 GLN 11 2HB GLN 11 7.896 9.223 2.231 89 HB3 GLN 11 3HB GLN 11 8.796 10.678 2.639 90 HG2 GLN 11 2HG GLN 11 8.436 10.211 5.022 91 HG3 GLN 11 3HG GLN 11 7.590 8.727 4.587 92 HE21 GLN 11 1HE2 GLN 11 8.750 6.942 4.506 93 HE22 GLN 11 2HE2 GLN 11 10.469 6.854 4.368 94 H THR 12 H THR 12 6.919 12.461 1.058 95 HA THR 12 HA THR 12 8.152 14.599 2.514 96 HB THR 12 HB THR 12 7.146 14.348 -0.314 97 HG1 THR 12 HG1 THR 12 9.444 14.664 -0.681 98 HG21 THR 12 1HG2 THR 12 8.268 16.787 1.063 99 HG22 THR 12 2HG2 THR 12 6.714 16.633 0.243 100 HG23 THR 12 3HG2 THR 12 8.210 16.592 -0.688 101 H ALA 13 H ALA 13 5.044 14.342 0.776 102 HA ALA 13 HA ALA 13 3.946 16.760 1.515 103 HB1 ALA 13 1HB ALA 13 2.432 15.896 0.133 104 HB2 ALA 13 2HB ALA 13 2.964 14.247 0.466 105 HB3 ALA 13 3HB ALA 13 1.785 15.024 1.523 106 H LYS 14 H LYS 14 4.091 13.753 3.339 107 HA LYS 14 HA LYS 14 2.388 14.659 5.453 108 HB2 LYS 14 2HB LYS 14 3.722 12.227 4.716 109 HB3 LYS 14 3HB LYS 14 4.075 12.593 6.399 110 HG2 LYS 14 2HG LYS 14 2.136 11.636 6.890 111 HG3 LYS 14 3HG LYS 14 1.358 13.054 6.182 112 HD2 LYS 14 2HD LYS 14 1.718 11.743 3.938 113 HD3 LYS 14 3HD LYS 14 1.806 10.345 5.011 114 HE2 LYS 14 2HE LYS 14 -0.396 10.384 5.421 115 HE3 LYS 14 3HE LYS 14 -0.422 12.137 5.607 116 HZ1 LYS 14 1HZ LYS 14 -1.305 12.313 3.601 117 HZ2 LYS 14 2HZ LYS 14 -1.323 10.629 3.443 118 HZ3 LYS 14 3HZ LYS 14 0.014 11.515 2.904 119 H ASN 15 H ASN 15 5.901 14.297 5.068 120 HA ASN 15 HA ASN 15 6.675 15.106 7.616 121 HB2 ASN 15 2HB ASN 15 8.164 14.120 5.846 122 HB3 ASN 15 3HB ASN 15 8.174 15.694 5.056 123 HD21 ASN 15 1HD2 ASN 15 10.105 16.539 5.367 124 HD22 ASN 15 2HD2 ASN 15 10.936 16.636 6.879 125 H ILE 16 H ILE 16 5.477 16.954 4.947 126 HA ILE 16 HA ILE 16 6.461 19.494 5.785 127 HB ILE 16 HB ILE 16 4.141 18.805 3.978 128 HG12 ILE 16 2HG1 ILE 16 6.739 19.940 3.038 129 HG13 ILE 16 3HG1 ILE 16 6.673 18.230 3.448 130 HG21 ILE 16 1HG2 ILE 16 4.493 21.175 3.165 131 HG22 ILE 16 2HG2 ILE 16 3.748 21.000 4.753 132 HG23 ILE 16 3HG2 ILE 16 5.452 21.433 4.622 133 HD11 ILE 16 1HD1 ILE 16 5.680 17.741 1.532 134 HD12 ILE 16 2HD1 ILE 16 4.452 18.984 1.775 135 HD13 ILE 16 3HD1 ILE 16 5.995 19.401 1.030 136 H THR 17 H THR 17 3.216 18.021 5.945 137 HA THR 17 HA THR 17 2.164 20.092 7.603 138 HB THR 17 HB THR 17 0.825 17.447 7.610 139 HG1 THR 17 HG1 THR 17 0.537 17.350 5.495 140 HG21 THR 17 1HG2 THR 17 -0.948 19.297 6.694 141 HG22 THR 17 2HG2 THR 17 0.138 20.305 7.651 142 HG23 THR 17 3HG2 THR 17 -0.677 18.932 8.398 143 H GLU 18 H GLU 18 4.014 17.281 8.198 144 HA GLU 18 HA GLU 18 3.128 16.922 10.925 145 HB2 GLU 18 2HB GLU 18 5.263 15.657 9.227 146 HB3 GLU 18 3HB GLU 18 5.186 15.358 10.958 147 HG2 GLU 18 2HG GLU 18 2.686 14.987 9.428 148 HG3 GLU 18 3HG GLU 18 3.974 13.815 9.157 149 H ARG 19 H ARG 19 5.699 18.559 9.228 150 HA ARG 19 HA ARG 19 7.280 19.051 11.576 151 HB2 ARG 19 2HB ARG 19 8.083 18.939 9.129 152 HB3 ARG 19 3HB ARG 19 7.480 20.585 8.997 153 HG2 ARG 19 2HG ARG 19 9.010 20.670 11.279 154 HG3 ARG 19 3HG ARG 19 9.913 19.581 10.224 155 HD2 ARG 19 2HD ARG 19 9.736 21.297 8.423 156 HD3 ARG 19 3HD ARG 19 9.008 22.387 9.602 157 HE ARG 19 HE ARG 19 11.086 22.762 10.487 158 HH11 ARG 19 1HH1 ARG 19 12.926 19.791 8.534 159 HH12 ARG 19 2HH1 ARG 19 11.201 19.938 8.455 160 HH21 ARG 19 1HH2 ARG 19 14.151 21.293 9.755 161 HH22 ARG 19 2HH2 ARG 19 13.357 22.579 10.599 162 H VAL 20 H VAL 20 4.808 20.752 9.763 163 HA VAL 20 HA VAL 20 5.160 23.282 11.007 164 HB VAL 20 HB VAL 20 3.996 23.114 8.884 165 HG11 VAL 20 1HG1 VAL 20 1.802 22.103 8.681 166 HG12 VAL 20 2HG1 VAL 20 2.965 20.909 9.260 167 HG13 VAL 20 3HG1 VAL 20 1.827 21.651 10.385 168 HG21 VAL 20 1HG2 VAL 20 3.421 25.035 10.150 169 HG22 VAL 20 2HG2 VAL 20 1.913 24.401 9.490 170 HG23 VAL 20 3HG2 VAL 20 2.326 24.114 11.181 171 H SER 21 H SER 21 3.154 20.468 11.708 172 HA SER 21 HA SER 21 1.608 21.680 13.752 173 HB2 SER 21 2HB SER 21 0.711 19.708 12.799 174 HB3 SER 21 3HB SER 21 2.209 18.811 13.044 175 HG SER 21 HG SER 21 0.278 19.589 14.948 176 H MET 22 H MET 22 4.425 19.503 13.887 177 HA MET 22 HA MET 22 4.725 19.412 16.645 178 HB2 MET 22 2HB MET 22 5.961 18.035 14.935 179 HB3 MET 22 3HB MET 22 6.998 19.428 14.658 180 HG2 MET 22 2HG MET 22 7.645 19.371 17.042 181 HG3 MET 22 3HG MET 22 6.685 17.906 17.232 182 HE1 MET 22 1HE MET 22 9.906 19.532 15.827 183 HE2 MET 22 2HE MET 22 10.561 18.281 14.770 184 HE3 MET 22 3HE MET 22 9.084 19.134 14.318 185 H ALA 23 H ALA 23 5.988 21.763 14.320 186 HA ALA 23 HA ALA 23 7.615 23.239 16.033 187 HB1 ALA 23 1HB ALA 23 7.873 23.768 13.798 188 HB2 ALA 23 2HB ALA 23 6.136 23.904 13.521 189 HB3 ALA 23 3HB ALA 23 6.989 25.166 14.410 190 H THR 24 H THR 24 4.187 23.747 15.215 191 HA THR 24 HA THR 24 3.718 26.012 16.742 192 HB THR 24 HB THR 24 1.504 24.084 16.806 193 HG1 THR 24 HG1 THR 24 2.128 24.986 14.230 194 HG21 THR 24 1HG2 THR 24 0.619 26.146 17.006 195 HG22 THR 24 2HG2 THR 24 0.745 26.189 15.247 196 HG23 THR 24 3HG2 THR 24 2.005 26.921 16.241 197 H ALA 25 H ALA 25 3.454 22.600 17.698 198 HA ALA 25 HA ALA 25 2.603 23.108 20.348 199 HB1 ALA 25 1HB ALA 25 2.221 20.929 20.164 200 HB2 ALA 25 2HB ALA 25 3.263 20.814 18.745 201 HB3 ALA 25 3HB ALA 25 3.954 20.660 20.360 202 H SER 26 H SER 26 5.591 23.549 18.841 203 HA SER 26 HA SER 26 7.122 23.221 21.309 204 HB2 SER 26 2HB SER 26 7.743 22.797 18.622 205 HB3 SER 26 3HB SER 26 8.622 24.265 19.049 206 HG SER 26 HG SER 26 9.818 22.348 19.489 207 H SER 27 H SER 27 6.366 25.710 18.892 208 HA SER 27 HA SER 27 7.743 27.820 20.132 209 HB2 SER 27 2HB SER 27 7.085 28.137 17.874 210 HB3 SER 27 3HB SER 27 5.400 27.759 18.231 211 HG SER 27 HG SER 27 6.152 30.087 18.005 212 H GLN 28 H GLN 28 4.894 26.200 21.027 213 HA GLN 28 HA GLN 28 3.491 26.453 22.804 214 HB2 GLN 28 2HB GLN 28 5.717 27.348 23.832 215 HB3 GLN 28 3HB GLN 28 4.949 28.923 23.674 216 HG2 GLN 28 2HG GLN 28 3.197 28.319 25.141 217 HG3 GLN 28 3HG GLN 28 3.664 26.619 25.108 218 HE21 GLN 28 1HE2 GLN 28 5.884 26.160 25.934 219 HE22 GLN 28 2HE2 GLN 28 6.412 27.042 27.323 220 H VAL 29 H VAL 29 2.284 27.186 20.702 221 HA VAL 29 HA VAL 29 1.186 29.877 21.203 222 HB VAL 29 HB VAL 29 1.196 28.474 18.533 223 HG11 VAL 29 1HG1 VAL 29 -0.465 30.035 18.358 224 HG12 VAL 29 2HG1 VAL 29 0.274 31.116 19.541 225 HG13 VAL 29 3HG1 VAL 29 0.924 31.021 17.904 226 HG21 VAL 29 1HG2 VAL 29 3.087 30.590 19.556 227 HG22 VAL 29 2HG2 VAL 29 3.496 28.912 19.196 228 HG23 VAL 29 3HG2 VAL 29 3.011 30.000 17.896 229 H LEU 30 H LEU 30 0.563 26.591 21.246 230 HA LEU 30 HA LEU 30 -2.190 26.654 20.437 231 HB2 LEU 30 2HB LEU 30 -0.523 24.603 21.875 232 HB3 LEU 30 3HB LEU 30 -2.225 24.362 21.487 233 HG LEU 30 HG LEU 30 -1.459 24.828 19.043 234 HD11 LEU 30 1HD1 LEU 30 0.966 23.616 19.062 235 HD12 LEU 30 2HD1 LEU 30 1.077 24.623 20.505 236 HD13 LEU 30 3HD1 LEU 30 0.718 25.358 18.942 237 HD21 LEU 30 1HD2 LEU 30 -1.147 22.345 20.669 238 HD22 LEU 30 2HD2 LEU 30 -0.662 22.339 18.973 239 HD23 LEU 30 3HD2 LEU 30 -2.325 22.729 19.413 240 H ILE 31 H ILE 31 -2.325 28.642 22.017 241 HA ILE 31 HA ILE 31 -3.676 27.643 24.410 242 HB ILE 31 HB ILE 31 -2.682 29.584 25.714 243 HG12 ILE 31 2HG1 ILE 31 -0.207 29.542 24.192 244 HG13 ILE 31 3HG1 ILE 31 -1.541 30.181 23.239 245 HG21 ILE 31 1HG2 ILE 31 -0.766 27.411 24.884 246 HG22 ILE 31 2HG2 ILE 31 -0.759 28.309 26.401 247 HG23 ILE 31 3HG2 ILE 31 -2.084 27.203 26.038 248 HD11 ILE 31 1HD1 ILE 31 -1.696 31.369 25.791 249 HD12 ILE 31 2HD1 ILE 31 -0.016 31.461 25.262 250 HD13 ILE 31 3HD1 ILE 31 -1.298 32.126 24.250 251 HA PRO 32 HA PRO 32 -6.747 30.617 23.410 252 HB2 PRO 32 2HB PRO 32 -7.698 31.249 25.874 253 HB3 PRO 32 3HB PRO 32 -8.017 29.697 25.090 254 HG2 PRO 32 2HG PRO 32 -5.985 30.381 27.179 255 HG3 PRO 32 3HG PRO 32 -7.039 28.959 27.066 256 HD2 PRO 32 2HD PRO 32 -4.434 28.904 26.328 257 HD3 PRO 32 3HD PRO 32 -5.673 27.913 25.532 258 H GLU 33 H GLU 33 -6.219 32.572 22.656 259 HA GLU 33 HA GLU 33 -5.196 34.566 24.562 260 HB2 GLU 33 2HB GLU 33 -3.776 33.502 22.382 261 HB3 GLU 33 3HB GLU 33 -4.293 35.104 21.874 262 HG2 GLU 33 2HG GLU 33 -2.817 34.522 24.430 263 HG3 GLU 33 3HG GLU 33 -2.058 35.057 22.932 264 H ILE 34 H ILE 34 -6.712 34.078 21.384 265 HA ILE 34 HA ILE 34 -8.862 35.810 21.895 266 HB ILE 34 HB ILE 34 -7.245 37.609 21.776 267 HG12 ILE 34 2HG1 ILE 34 -8.916 37.443 19.258 268 HG13 ILE 34 3HG1 ILE 34 -9.475 38.008 20.828 269 HG21 ILE 34 1HG2 ILE 34 -5.877 38.020 19.830 270 HG22 ILE 34 2HG2 ILE 34 -5.556 36.398 20.442 271 HG23 ILE 34 3HG2 ILE 34 -6.564 36.617 19.012 272 HD11 ILE 34 1HD1 ILE 34 -7.408 39.663 20.483 273 HD12 ILE 34 2HD1 ILE 34 -7.830 39.366 18.797 274 HD13 ILE 34 3HD1 ILE 34 -9.037 40.014 19.907 275 H ASN 35 H ASN 35 -6.721 34.413 19.470 276 HA ASN 35 HA ASN 35 -8.955 33.234 18.102 277 HB2 ASN 35 2HB ASN 35 -7.466 35.549 16.914 278 HB3 ASN 35 3HB ASN 35 -8.086 34.280 15.862 279 HD21 ASN 35 1HD2 ASN 35 -8.804 37.157 16.277 280 HD22 ASN 35 2HD2 ASN 35 -10.513 37.146 16.529 281 H LEU 36 H LEU 36 -7.197 31.760 19.269 282 HA LEU 36 HA LEU 36 -4.795 31.222 17.867 283 HB2 LEU 36 2HB LEU 36 -4.789 30.485 20.061 284 HB3 LEU 36 3HB LEU 36 -6.403 29.789 19.936 285 HG LEU 36 HG LEU 36 -5.439 27.984 18.509 286 HD11 LEU 36 1HD1 LEU 36 -2.955 29.529 19.075 287 HD12 LEU 36 2HD1 LEU 36 -3.480 28.742 17.587 288 HD13 LEU 36 3HD1 LEU 36 -2.864 27.774 18.926 289 HD21 LEU 36 1HD2 LEU 36 -5.832 27.407 20.748 290 HD22 LEU 36 2HD2 LEU 36 -4.491 28.394 21.330 291 HD23 LEU 36 3HD2 LEU 36 -4.169 26.906 20.438 292 H ASN 37 H ASN 37 -8.027 29.786 17.766 293 HA ASN 37 HA ASN 37 -7.514 27.624 16.102 294 HB2 ASN 37 2HB ASN 37 -9.942 29.331 16.557 295 HB3 ASN 37 3HB ASN 37 -9.967 28.062 15.336 296 HD21 ASN 37 1HD2 ASN 37 -11.675 28.007 17.472 297 HD22 ASN 37 2HD2 ASN 37 -11.249 26.703 18.522 298 H ASP 38 H ASP 38 -8.430 30.942 15.215 299 HA ASP 38 HA ASP 38 -8.501 30.592 12.448 300 HB2 ASP 38 2HB ASP 38 -8.377 32.847 14.307 301 HB3 ASP 38 3HB ASP 38 -7.587 33.178 12.767 302 H THR 39 H THR 39 -5.818 31.808 14.457 303 HA THR 39 HA THR 39 -3.930 32.070 12.426 304 HB THR 39 HB THR 39 -2.893 31.142 15.036 305 HG1 THR 39 HG1 THR 39 -4.096 32.438 16.183 306 HG21 THR 39 1HG2 THR 39 -1.430 32.135 13.360 307 HG22 THR 39 2HG2 THR 39 -1.512 33.167 14.788 308 HG23 THR 39 3HG2 THR 39 -2.419 33.594 13.337 309 H PHE 40 H PHE 40 -4.509 29.309 14.598 310 HA PHE 40 HA PHE 40 -2.515 27.633 13.587 311 HB2 PHE 40 2HB PHE 40 -4.009 27.358 15.682 312 HB3 PHE 40 3HB PHE 40 -5.150 26.583 14.588 313 HD1 PHE 40 HD1 PHE 40 -1.434 26.410 14.783 314 HD2 PHE 40 HD2 PHE 40 -5.137 24.330 15.064 315 HE1 PHE 40 HE1 PHE 40 -0.218 24.285 15.028 316 HE2 PHE 40 HE2 PHE 40 -3.927 22.202 15.310 317 HZ PHE 40 HZ PHE 40 -1.464 22.178 15.293 318 H ASP 41 H ASP 41 -5.920 27.964 12.651 319 HA ASP 41 HA ASP 41 -6.021 25.920 10.757 320 HB2 ASP 41 2HB ASP 41 -7.875 27.538 11.727 321 HB3 ASP 41 3HB ASP 41 -7.523 28.455 10.265 322 H THR 42 H THR 42 -5.640 29.406 10.090 323 HA THR 42 HA THR 42 -5.025 29.172 7.390 324 HB THR 42 HB THR 42 -5.418 31.288 8.957 325 HG1 THR 42 HG1 THR 42 -5.360 31.243 6.631 326 HG21 THR 42 1HG2 THR 42 -3.517 32.475 9.563 327 HG22 THR 42 2HG2 THR 42 -2.480 31.579 8.453 328 HG23 THR 42 3HG2 THR 42 -3.054 30.816 9.936 329 H PHE 43 H PHE 43 -3.089 28.496 10.158 330 HA PHE 43 HA PHE 43 -0.546 28.736 8.866 331 HB2 PHE 43 2HB PHE 43 -0.948 28.884 11.359 332 HB3 PHE 43 3HB PHE 43 -1.180 27.139 11.350 333 HD1 PHE 43 HD1 PHE 43 0.633 26.392 12.616 334 HD2 PHE 43 HD2 PHE 43 1.285 29.103 9.400 335 HE1 PHE 43 HE1 PHE 43 3.061 26.069 12.841 336 HE2 PHE 43 HE2 PHE 43 3.714 28.785 9.620 337 HZ PHE 43 HZ PHE 43 4.606 27.266 11.341 338 H ALA 44 H ALA 44 -2.450 25.926 9.961 339 HA ALA 44 HA ALA 44 -0.789 24.024 8.661 340 HB1 ALA 44 1HB ALA 44 -2.347 22.394 9.351 341 HB2 ALA 44 2HB ALA 44 -2.332 23.613 10.627 342 HB3 ALA 44 3HB ALA 44 -3.652 23.575 9.458 343 H LEU 45 H LEU 45 -3.961 25.412 7.849 344 HA LEU 45 HA LEU 45 -4.589 24.016 5.585 345 HB2 LEU 45 2HB LEU 45 -5.735 26.047 6.800 346 HB3 LEU 45 3HB LEU 45 -4.926 26.977 5.540 347 HG LEU 45 HG LEU 45 -7.124 26.599 4.775 348 HD11 LEU 45 1HD1 LEU 45 -6.779 25.497 2.735 349 HD12 LEU 45 2HD1 LEU 45 -5.581 24.404 3.428 350 HD13 LEU 45 3HD1 LEU 45 -5.189 26.107 3.194 351 HD21 LEU 45 1HD2 LEU 45 -8.372 24.894 5.448 352 HD22 LEU 45 2HD2 LEU 45 -6.983 24.273 6.339 353 HD23 LEU 45 3HD2 LEU 45 -7.280 23.738 4.684 354 H ASP 46 H ASP 46 -2.793 27.101 5.582 355 HA ASP 46 HA ASP 46 -2.132 27.247 2.931 356 HB2 ASP 46 2HB ASP 46 -1.482 28.706 5.113 357 HB3 ASP 46 3HB ASP 46 0.068 27.934 4.789 358 H PHE 47 H PHE 47 -0.192 25.657 5.463 359 HA PHE 47 HA PHE 47 1.833 24.684 3.821 360 HB2 PHE 47 2HB PHE 47 0.917 24.252 6.532 361 HB3 PHE 47 3HB PHE 47 1.469 22.744 5.811 362 HD1 PHE 47 HD1 PHE 47 3.722 23.244 4.281 363 HD2 PHE 47 HD2 PHE 47 2.503 25.275 7.817 364 HE1 PHE 47 HE1 PHE 47 6.057 23.891 4.711 365 HE2 PHE 47 HE2 PHE 47 4.835 25.926 8.252 366 HZ PHE 47 HZ PHE 47 6.616 25.234 6.698 367 H SER 48 H SER 48 -1.037 22.921 4.996 368 HA SER 48 HA SER 48 -0.674 20.562 3.615 369 HB2 SER 48 2HB SER 48 -2.520 21.299 5.326 370 HB3 SER 48 3HB SER 48 -3.435 21.705 3.874 371 HG SER 48 HG SER 48 -3.942 19.628 4.214 372 H ARG 49 H ARG 49 -2.283 23.522 2.512 373 HA ARG 49 HA ARG 49 -3.348 22.766 0.128 374 HB2 ARG 49 2HB ARG 49 -3.195 25.107 1.221 375 HB3 ARG 49 3HB ARG 49 -1.712 25.281 0.291 376 HG2 ARG 49 2HG ARG 49 -3.142 24.658 -1.742 377 HG3 ARG 49 3HG ARG 49 -4.524 24.996 -0.697 378 HD2 ARG 49 2HD ARG 49 -2.862 27.166 -0.302 379 HD3 ARG 49 3HD ARG 49 -2.693 26.824 -2.024 380 HE ARG 49 HE ARG 49 -5.419 26.800 -1.325 381 HH11 ARG 49 1HH1 ARG 49 -3.755 30.351 -2.131 382 HH12 ARG 49 2HH1 ARG 49 -2.751 29.002 -1.715 383 HH21 ARG 49 1HH2 ARG 49 -6.031 30.103 -2.219 384 HH22 ARG 49 2HH2 ARG 49 -6.752 28.568 -1.872 385 H GLU 50 H GLU 50 0.058 23.552 0.735 386 HA GLU 50 HA GLU 50 0.834 23.024 -1.982 387 HB2 GLU 50 2HB GLU 50 1.955 24.444 0.064 388 HB3 GLU 50 3HB GLU 50 2.932 22.982 0.082 389 HG2 GLU 50 2HG GLU 50 2.891 23.544 -2.567 390 HG3 GLU 50 3HG GLU 50 2.829 25.163 -1.872 391 H LYS 51 H LYS 51 0.792 21.262 1.047 392 HA LYS 51 HA LYS 51 2.445 19.111 0.298 393 HB2 LYS 51 2HB LYS 51 1.908 18.227 2.318 394 HB3 LYS 51 3HB LYS 51 1.263 19.838 2.603 395 HG2 LYS 51 2HG LYS 51 -0.520 18.604 3.266 396 HG3 LYS 51 3HG LYS 51 -0.911 18.761 1.551 397 HD2 LYS 51 2HD LYS 51 0.541 16.557 1.387 398 HD3 LYS 51 3HD LYS 51 0.060 16.397 3.078 399 HE2 LYS 51 2HE LYS 51 -2.289 16.579 2.427 400 HE3 LYS 51 3HE LYS 51 -1.813 16.755 0.739 401 HZ1 LYS 51 1HZ LYS 51 -2.439 14.424 1.888 402 HZ2 LYS 51 2HZ LYS 51 -0.758 14.413 2.072 403 HZ3 LYS 51 3HZ LYS 51 -1.439 14.568 0.531 404 H LYS 52 H LYS 52 -0.875 19.862 -0.402 405 HA LYS 52 HA LYS 52 -1.593 17.217 -1.256 406 HB2 LYS 52 2HB LYS 52 -3.344 18.652 -0.462 407 HB3 LYS 52 3HB LYS 52 -2.912 19.910 -1.613 408 HG2 LYS 52 2HG LYS 52 -4.891 18.822 -2.384 409 HG3 LYS 52 3HG LYS 52 -3.559 18.373 -3.452 410 HD2 LYS 52 2HD LYS 52 -3.357 16.229 -2.401 411 HD3 LYS 52 3HD LYS 52 -4.509 16.681 -1.143 412 HE2 LYS 52 2HE LYS 52 -5.833 17.117 -3.568 413 HE3 LYS 52 3HE LYS 52 -4.988 15.583 -3.764 414 HZ1 LYS 52 1HZ LYS 52 -7.041 16.312 -1.772 415 HZ2 LYS 52 2HZ LYS 52 -5.989 15.016 -1.501 416 HZ3 LYS 52 3HZ LYS 52 -7.021 15.001 -2.841 417 H LEU 53 H LEU 53 -0.949 20.281 -2.958 418 HA LEU 53 HA LEU 53 -1.215 19.403 -5.559 419 HB2 LEU 53 2HB LEU 53 -0.161 21.674 -4.233 420 HB3 LEU 53 3HB LEU 53 1.020 21.166 -5.438 421 HG LEU 53 HG LEU 53 -1.716 21.289 -6.461 422 HD11 LEU 53 1HD1 LEU 53 -2.199 23.163 -5.257 423 HD12 LEU 53 2HD1 LEU 53 -1.344 23.898 -6.613 424 HD13 LEU 53 3HD1 LEU 53 -0.506 23.627 -5.086 425 HD21 LEU 53 1HD2 LEU 53 0.003 21.006 -8.024 426 HD22 LEU 53 2HD2 LEU 53 1.006 22.253 -7.283 427 HD23 LEU 53 3HD2 LEU 53 -0.450 22.705 -8.172 428 H LEU 54 H LEU 54 1.334 18.777 -3.291 429 HA LEU 54 HA LEU 54 3.288 17.937 -5.193 430 HB2 LEU 54 2HB LEU 54 3.559 18.662 -2.712 431 HB3 LEU 54 3HB LEU 54 3.212 16.970 -2.364 432 HG LEU 54 HG LEU 54 5.497 17.951 -4.073 433 HD11 LEU 54 1HD1 LEU 54 6.031 18.622 -1.896 434 HD12 LEU 54 2HD1 LEU 54 6.834 17.065 -2.089 435 HD13 LEU 54 3HD1 LEU 54 5.327 17.172 -1.180 436 HD21 LEU 54 1HD2 LEU 54 4.417 15.284 -3.376 437 HD22 LEU 54 2HD2 LEU 54 6.172 15.468 -3.368 438 HD23 LEU 54 3HD2 LEU 54 5.253 15.827 -4.831 439 H GLU 55 H GLU 55 1.353 16.070 -2.843 440 HA GLU 55 HA GLU 55 1.990 13.540 -3.799 441 HB2 GLU 55 2HB GLU 55 0.716 14.202 -1.670 442 HB3 GLU 55 3HB GLU 55 -0.720 14.230 -2.683 443 HG2 GLU 55 2HG GLU 55 0.742 11.792 -3.089 444 HG3 GLU 55 3HG GLU 55 0.402 12.035 -1.376 445 H CYS 56 H CYS 56 -1.148 15.143 -4.352 446 HA CYS 56 HA CYS 56 -1.731 13.464 -6.593 447 HB2 CYS 56 2HB CYS 56 -3.795 14.660 -6.750 448 HB3 CYS 56 3HB CYS 56 -3.446 14.457 -5.037 449 HG CYS 56 HG CYS 56 -2.506 17.341 -6.562 450 H LEU 57 H LEU 57 -2.783 14.938 -8.541 451 HA LEU 57 HA LEU 57 -0.823 16.939 -9.369 452 HB2 LEU 57 2HB LEU 57 -0.504 14.378 -10.191 453 HB3 LEU 57 3HB LEU 57 -1.544 15.005 -11.468 454 HG LEU 57 HG LEU 57 0.709 15.196 -12.208 455 HD11 LEU 57 1HD1 LEU 57 -0.296 17.877 -11.265 456 HD12 LEU 57 2HD1 LEU 57 -0.704 17.076 -12.782 457 HD13 LEU 57 3HD1 LEU 57 0.946 17.626 -12.492 458 HD21 LEU 57 1HD2 LEU 57 2.445 16.319 -10.973 459 HD22 LEU 57 2HD2 LEU 57 1.754 15.044 -9.970 460 HD23 LEU 57 3HD2 LEU 57 1.314 16.728 -9.683 461 H ASP 58 H ASP 58 -3.500 17.263 -8.553 462 HA ASP 58 HA ASP 58 -4.525 18.689 -10.816 463 HB2 ASP 58 2HB ASP 58 -5.380 16.028 -10.533 464 HB3 ASP 58 3HB ASP 58 -6.710 17.017 -9.938 465 H TYR 59 H TYR 59 -5.741 20.386 -10.180 466 HA TYR 59 HA TYR 59 -7.216 20.401 -7.722 467 HB2 TYR 59 2HB TYR 59 -4.720 20.809 -7.129 468 HB3 TYR 59 3HB TYR 59 -4.978 22.403 -7.831 469 HD1 TYR 59 HD1 TYR 59 -7.069 20.228 -5.620 470 HD2 TYR 59 HD2 TYR 59 -5.132 23.979 -6.154 471 HE1 TYR 59 HE1 TYR 59 -8.006 21.010 -3.484 472 HE2 TYR 59 HE2 TYR 59 -6.062 24.770 -4.019 473 HH TYR 59 HH TYR 59 -8.457 22.947 -2.271 474 H LEU 60 H LEU 60 -5.524 22.865 -9.669 475 HA LEU 60 HA LEU 60 -6.276 24.733 -10.731 476 HB2 LEU 60 2HB LEU 60 -7.603 22.560 -11.763 477 HB3 LEU 60 3HB LEU 60 -8.917 23.670 -11.378 478 HG LEU 60 HG LEU 60 -6.578 24.233 -13.200 479 HD11 LEU 60 1HD1 LEU 60 -8.349 24.348 -14.930 480 HD12 LEU 60 2HD1 LEU 60 -9.503 23.751 -13.738 481 HD13 LEU 60 3HD1 LEU 60 -8.147 22.739 -14.235 482 HD21 LEU 60 1HD2 LEU 60 -7.289 26.227 -11.965 483 HD22 LEU 60 2HD2 LEU 60 -8.949 25.962 -12.499 484 HD23 LEU 60 3HD2 LEU 60 -7.692 26.341 -13.678 Start of MODEL 19 1 H LEU 1 H LEU 1 4.987 4.220 1.579 2 HA LEU 1 HA LEU 1 7.138 3.924 2.620 3 HB2 LEU 1 2HB LEU 1 5.544 2.019 4.313 4 HB3 LEU 1 3HB LEU 1 7.306 2.023 4.290 5 HG LEU 1 HG LEU 1 7.084 4.509 4.957 6 HD11 LEU 1 1HD1 LEU 1 5.031 5.316 5.163 7 HD12 LEU 1 2HD1 LEU 1 4.756 4.194 6.495 8 HD13 LEU 1 3HD1 LEU 1 4.332 3.727 4.848 9 HD21 LEU 1 1HD2 LEU 1 6.133 2.817 7.183 10 HD22 LEU 1 2HD2 LEU 1 7.534 3.883 7.083 11 HD23 LEU 1 3HD2 LEU 1 7.593 2.278 6.353 12 H LYS 2 H LYS 2 5.863 2.972 0.257 13 HA LYS 2 HA LYS 2 7.339 0.454 -0.101 14 HB2 LYS 2 2HB LYS 2 4.650 0.472 -0.031 15 HB3 LYS 2 3HB LYS 2 4.892 0.852 -1.731 16 HG2 LYS 2 2HG LYS 2 6.055 -1.172 -2.114 17 HG3 LYS 2 3HG LYS 2 6.188 -1.501 -0.385 18 HD2 LYS 2 2HD LYS 2 3.493 -1.217 -1.652 19 HD3 LYS 2 3HD LYS 2 4.384 -2.734 -1.803 20 HE2 LYS 2 2HE LYS 2 4.614 -2.122 0.875 21 HE3 LYS 2 3HE LYS 2 2.974 -1.607 0.484 22 HZ1 LYS 2 1HZ LYS 2 2.828 -3.849 1.121 23 HZ2 LYS 2 2HZ LYS 2 4.154 -4.305 0.175 24 HZ3 LYS 2 3HZ LYS 2 2.699 -3.861 -0.566 25 H GLU 3 H GLU 3 8.147 0.081 -2.226 26 HA GLU 3 HA GLU 3 9.177 0.684 -4.162 27 HB2 GLU 3 2HB GLU 3 6.578 1.583 -4.393 28 HB3 GLU 3 3HB GLU 3 7.523 3.017 -4.768 29 HG2 GLU 3 2HG GLU 3 8.519 2.033 -6.620 30 HG3 GLU 3 3HG GLU 3 8.128 0.401 -6.082 31 H ASN 4 H ASN 4 9.905 2.907 -5.389 32 HA ASN 4 HA ASN 4 11.085 4.616 -3.298 33 HB2 ASN 4 2HB ASN 4 12.385 3.613 -5.840 34 HB3 ASN 4 3HB ASN 4 13.093 4.811 -4.762 35 HD21 ASN 4 1HD2 ASN 4 14.483 4.056 -3.351 36 HD22 ASN 4 2HD2 ASN 4 14.534 2.445 -2.729 37 H ASP 5 H ASP 5 8.671 5.215 -4.574 38 HA ASP 5 HA ASP 5 9.427 7.686 -5.935 39 HB2 ASP 5 2HB ASP 5 7.406 5.729 -7.048 40 HB3 ASP 5 3HB ASP 5 7.712 7.345 -7.680 41 H HIS 6 H HIS 6 6.374 5.945 -5.351 42 HA HIS 6 HA HIS 6 4.952 8.243 -4.577 43 HB2 HIS 6 2HB HIS 6 3.926 6.109 -5.380 44 HB3 HIS 6 3HB HIS 6 4.329 5.379 -3.829 45 HD1 HIS 6 HD1 HIS 6 2.591 8.640 -4.774 46 HD2 HIS 6 HD2 HIS 6 2.085 5.310 -2.343 47 HE1 HIS 6 HE1 HIS 6 0.433 9.029 -3.543 48 H ALA 7 H ALA 7 6.872 5.948 -2.766 49 HA ALA 7 HA ALA 7 5.981 6.681 -0.179 50 HB1 ALA 7 1HB ALA 7 8.251 5.133 -1.290 51 HB2 ALA 7 2HB ALA 7 8.407 5.735 0.361 52 HB3 ALA 7 3HB ALA 7 7.058 4.684 -0.070 53 H ARG 8 H ARG 8 8.418 7.958 -2.345 54 HA ARG 8 HA ARG 8 9.661 9.630 -0.373 55 HB2 ARG 8 2HB ARG 8 10.957 8.887 -2.276 56 HB3 ARG 8 3HB ARG 8 9.812 9.623 -3.390 57 HG2 ARG 8 2HG ARG 8 10.916 11.538 -3.322 58 HG3 ARG 8 3HG ARG 8 10.761 11.606 -1.566 59 HD2 ARG 8 2HD ARG 8 13.070 11.634 -1.958 60 HD3 ARG 8 3HD ARG 8 12.715 9.968 -1.501 61 HE ARG 8 HE ARG 8 12.597 10.266 -4.311 62 HH11 ARG 8 1HH1 ARG 8 16.144 9.466 -2.635 63 HH12 ARG 8 2HH1 ARG 8 14.855 10.102 -1.666 64 HH21 ARG 8 1HH2 ARG 8 15.819 9.084 -4.870 65 HH22 ARG 8 2HH2 ARG 8 14.286 9.429 -5.596 66 H PHE 9 H PHE 9 7.415 10.182 -3.072 67 HA PHE 9 HA PHE 9 7.147 12.944 -2.788 68 HB2 PHE 9 2HB PHE 9 5.875 10.857 -4.277 69 HB3 PHE 9 3HB PHE 9 4.633 11.898 -3.590 70 HD1 PHE 9 HD1 PHE 9 3.909 13.577 -4.959 71 HD2 PHE 9 HD2 PHE 9 7.969 12.326 -5.217 72 HE1 PHE 9 HE1 PHE 9 4.298 15.222 -6.748 73 HE2 PHE 9 HE2 PHE 9 8.365 13.969 -7.006 74 HZ PHE 9 HZ PHE 9 6.528 15.420 -7.773 75 H LEU 10 H LEU 10 5.478 10.297 -1.168 76 HA LEU 10 HA LEU 10 3.552 11.905 0.156 77 HB2 LEU 10 2HB LEU 10 4.000 9.210 -0.155 78 HB3 LEU 10 3HB LEU 10 4.337 9.469 1.555 79 HG LEU 10 HG LEU 10 1.804 10.564 0.442 80 HD11 LEU 10 1HD1 LEU 10 2.486 7.887 0.032 81 HD12 LEU 10 2HD1 LEU 10 0.885 8.616 -0.086 82 HD13 LEU 10 3HD1 LEU 10 1.416 7.893 1.433 83 HD21 LEU 10 1HD2 LEU 10 1.150 9.515 2.774 84 HD22 LEU 10 2HD2 LEU 10 1.950 11.083 2.661 85 HD23 LEU 10 3HD2 LEU 10 2.887 9.640 3.052 86 H GLN 11 H GLN 11 6.649 10.511 1.208 87 HA GLN 11 HA GLN 11 6.664 11.376 3.832 88 HB2 GLN 11 2HB GLN 11 8.397 9.986 2.373 89 HB3 GLN 11 3HB GLN 11 9.209 11.544 2.291 90 HG2 GLN 11 2HG GLN 11 10.189 10.914 4.188 91 HG3 GLN 11 3HG GLN 11 8.660 11.352 4.949 92 HE21 GLN 11 1HE2 GLN 11 6.988 9.402 4.471 93 HE22 GLN 11 2HE2 GLN 11 7.571 7.879 5.043 94 H THR 12 H THR 12 7.175 13.191 0.909 95 HA THR 12 HA THR 12 8.333 15.483 2.180 96 HB THR 12 HB THR 12 7.169 15.033 -0.563 97 HG1 THR 12 HG1 THR 12 9.810 15.796 0.129 98 HG21 THR 12 1HG2 THR 12 8.293 17.340 -0.991 99 HG22 THR 12 2HG2 THR 12 8.057 17.579 0.740 100 HG23 THR 12 3HG2 THR 12 6.669 17.285 -0.307 101 H ALA 13 H ALA 13 5.167 14.963 0.612 102 HA ALA 13 HA ALA 13 3.960 17.335 1.355 103 HB1 ALA 13 1HB ALA 13 2.427 16.383 0.058 104 HB2 ALA 13 2HB ALA 13 3.100 14.776 0.338 105 HB3 ALA 13 3HB ALA 13 1.918 15.445 1.463 106 H LYS 14 H LYS 14 4.345 14.365 3.202 107 HA LYS 14 HA LYS 14 2.664 15.191 5.365 108 HB2 LYS 14 2HB LYS 14 4.634 12.959 4.964 109 HB3 LYS 14 3HB LYS 14 3.939 13.266 6.550 110 HG2 LYS 14 2HG LYS 14 1.875 13.195 4.553 111 HG3 LYS 14 3HG LYS 14 2.859 11.732 4.483 112 HD2 LYS 14 2HD LYS 14 2.320 11.109 6.647 113 HD3 LYS 14 3HD LYS 14 1.899 12.756 7.123 114 HE2 LYS 14 2HE LYS 14 -0.026 12.531 5.436 115 HE3 LYS 14 3HE LYS 14 0.309 10.801 5.493 116 HZ1 LYS 14 1HZ LYS 14 -1.088 12.418 7.363 117 HZ2 LYS 14 2HZ LYS 14 0.198 11.619 8.117 118 HZ3 LYS 14 3HZ LYS 14 -0.975 10.732 7.282 119 H ASN 15 H ASN 15 6.176 15.056 4.854 120 HA ASN 15 HA ASN 15 6.960 15.970 7.377 121 HB2 ASN 15 2HB ASN 15 8.509 14.979 5.727 122 HB3 ASN 15 3HB ASN 15 8.350 16.419 4.726 123 HD21 ASN 15 1HD2 ASN 15 9.365 15.290 7.906 124 HD22 ASN 15 2HD2 ASN 15 10.557 16.515 8.159 125 H ILE 16 H ILE 16 5.547 17.638 4.720 126 HA ILE 16 HA ILE 16 6.466 20.258 5.387 127 HB ILE 16 HB ILE 16 4.138 19.337 3.702 128 HG12 ILE 16 2HG1 ILE 16 6.579 20.717 2.664 129 HG13 ILE 16 3HG1 ILE 16 6.688 19.012 3.088 130 HG21 ILE 16 1HG2 ILE 16 3.356 21.417 3.929 131 HG22 ILE 16 2HG2 ILE 16 4.844 21.986 4.684 132 HG23 ILE 16 3HG2 ILE 16 4.722 21.907 2.927 133 HD11 ILE 16 1HD1 ILE 16 5.663 20.205 0.724 134 HD12 ILE 16 2HD1 ILE 16 5.849 18.495 1.115 135 HD13 ILE 16 3HD1 ILE 16 4.358 19.338 1.534 136 H THR 17 H THR 17 3.323 18.624 5.800 137 HA THR 17 HA THR 17 2.293 20.732 7.455 138 HB THR 17 HB THR 17 1.027 18.027 7.410 139 HG1 THR 17 HG1 THR 17 1.212 19.818 5.209 140 HG21 THR 17 1HG2 THR 17 -0.421 19.375 8.507 141 HG22 THR 17 2HG2 THR 17 -0.904 19.843 6.876 142 HG23 THR 17 3HG2 THR 17 0.233 20.842 7.780 143 H GLU 18 H GLU 18 4.141 17.890 7.973 144 HA GLU 18 HA GLU 18 3.372 17.507 10.719 145 HB2 GLU 18 2HB GLU 18 4.124 15.592 9.455 146 HB3 GLU 18 3HB GLU 18 5.649 16.384 9.082 147 HG2 GLU 18 2HG GLU 18 6.373 16.235 11.339 148 HG3 GLU 18 3HG GLU 18 4.780 15.706 11.877 149 H ARG 19 H ARG 19 6.037 19.039 8.991 150 HA ARG 19 HA ARG 19 7.594 19.617 11.295 151 HB2 ARG 19 2HB ARG 19 8.384 19.566 8.877 152 HB3 ARG 19 3HB ARG 19 7.640 21.149 8.698 153 HG2 ARG 19 2HG ARG 19 9.142 21.584 10.887 154 HG3 ARG 19 3HG ARG 19 10.121 20.364 10.069 155 HD2 ARG 19 2HD ARG 19 9.957 21.763 7.994 156 HD3 ARG 19 3HD ARG 19 9.197 23.015 8.976 157 HE ARG 19 HE ARG 19 11.527 22.437 10.278 158 HH11 ARG 19 1HH1 ARG 19 12.167 24.303 6.795 159 HH12 ARG 19 2HH1 ARG 19 10.685 23.443 7.054 160 HH21 ARG 19 1HH2 ARG 19 13.757 24.371 8.443 161 HH22 ARG 19 2HH2 ARG 19 13.482 23.565 9.950 162 H VAL 20 H VAL 20 5.306 21.537 9.372 163 HA VAL 20 HA VAL 20 5.547 23.962 10.702 164 HB VAL 20 HB VAL 20 4.272 23.813 8.663 165 HG11 VAL 20 1HG1 VAL 20 2.147 22.296 10.160 166 HG12 VAL 20 2HG1 VAL 20 2.226 22.634 8.430 167 HG13 VAL 20 3HG1 VAL 20 3.373 21.513 9.164 168 HG21 VAL 20 1HG2 VAL 20 3.683 25.647 10.102 169 HG22 VAL 20 2HG2 VAL 20 2.215 25.031 9.342 170 HG23 VAL 20 3HG2 VAL 20 2.575 24.625 11.020 171 H SER 21 H SER 21 3.434 21.207 11.436 172 HA SER 21 HA SER 21 2.015 22.343 13.552 173 HB2 SER 21 2HB SER 21 1.040 20.351 13.076 174 HB3 SER 21 3HB SER 21 2.563 19.613 12.579 175 HG SER 21 HG SER 21 1.321 19.095 14.753 176 H MET 22 H MET 22 4.862 20.198 13.745 177 HA MET 22 HA MET 22 5.252 20.434 16.502 178 HB2 MET 22 2HB MET 22 6.938 19.607 14.193 179 HB3 MET 22 3HB MET 22 7.754 19.955 15.711 180 HG2 MET 22 2HG MET 22 5.688 18.358 16.516 181 HG3 MET 22 3HG MET 22 6.102 17.680 14.944 182 HE1 MET 22 1HE MET 22 9.514 18.559 15.210 183 HE2 MET 22 2HE MET 22 9.864 16.836 15.343 184 HE3 MET 22 3HE MET 22 8.603 17.398 14.245 185 H ALA 23 H ALA 23 6.158 22.531 13.870 186 HA ALA 23 HA ALA 23 8.087 24.071 15.276 187 HB1 ALA 23 1HB ALA 23 7.336 25.794 13.411 188 HB2 ALA 23 2HB ALA 23 8.327 24.384 13.031 189 HB3 ALA 23 3HB ALA 23 6.590 24.350 12.727 190 H THR 24 H THR 24 4.631 24.556 14.602 191 HA THR 24 HA THR 24 4.508 26.998 16.105 192 HB THR 24 HB THR 24 1.985 25.548 15.601 193 HG1 THR 24 HG1 THR 24 2.316 26.359 13.276 194 HG21 THR 24 1HG2 THR 24 1.473 27.820 14.558 195 HG22 THR 24 2HG2 THR 24 3.045 28.331 15.174 196 HG23 THR 24 3HG2 THR 24 1.792 27.793 16.292 197 H ALA 25 H ALA 25 4.185 23.637 16.810 198 HA ALA 25 HA ALA 25 2.667 23.972 19.228 199 HB1 ALA 25 1HB ALA 25 3.697 21.515 19.508 200 HB2 ALA 25 2HB ALA 25 2.293 21.864 18.498 201 HB3 ALA 25 3HB ALA 25 3.891 21.715 17.767 202 H SER 26 H SER 26 5.997 24.102 18.341 203 HA SER 26 HA SER 26 6.823 23.957 21.156 204 HB2 SER 26 2HB SER 26 7.931 22.749 18.963 205 HB3 SER 26 3HB SER 26 8.930 24.194 19.115 206 HG SER 26 HG SER 26 9.758 23.440 20.909 207 H SER 27 H SER 27 6.652 26.052 18.379 208 HA SER 27 HA SER 27 8.394 28.084 19.233 209 HB2 SER 27 2HB SER 27 7.676 28.103 16.957 210 HB3 SER 27 3HB SER 27 5.976 28.132 17.422 211 HG SER 27 HG SER 27 6.348 30.208 17.023 212 H GLN 28 H GLN 28 4.869 27.764 19.605 213 HA GLN 28 HA GLN 28 4.963 29.878 21.647 214 HB2 GLN 28 2HB GLN 28 2.910 29.023 19.675 215 HB3 GLN 28 3HB GLN 28 2.336 29.614 21.229 216 HG2 GLN 28 2HG GLN 28 4.085 31.552 20.646 217 HG3 GLN 28 3HG GLN 28 3.643 31.055 19.013 218 HE21 GLN 28 1HE2 GLN 28 2.273 32.520 18.280 219 HE22 GLN 28 2HE2 GLN 28 0.872 33.099 19.109 220 H VAL 29 H VAL 29 2.599 27.293 21.122 221 HA VAL 29 HA VAL 29 3.343 25.596 23.197 222 HB VAL 29 HB VAL 29 2.959 27.357 24.769 223 HG11 VAL 29 1HG1 VAL 29 1.578 28.785 23.324 224 HG12 VAL 29 2HG1 VAL 29 0.217 27.685 23.553 225 HG13 VAL 29 3HG1 VAL 29 0.868 28.582 24.926 226 HG21 VAL 29 1HG2 VAL 29 0.394 25.884 25.054 227 HG22 VAL 29 2HG2 VAL 29 1.889 24.948 25.033 228 HG23 VAL 29 3HG2 VAL 29 1.652 26.206 26.247 229 H LEU 30 H LEU 30 0.754 27.050 21.345 230 HA LEU 30 HA LEU 30 -1.000 26.139 20.217 231 HB2 LEU 30 2HB LEU 30 0.851 24.323 19.871 232 HB3 LEU 30 3HB LEU 30 -0.146 23.381 20.977 233 HG LEU 30 HG LEU 30 -1.940 24.296 19.072 234 HD11 LEU 30 1HD1 LEU 30 -0.630 24.928 17.348 235 HD12 LEU 30 2HD1 LEU 30 -0.563 23.191 17.051 236 HD13 LEU 30 3HD1 LEU 30 0.754 23.990 17.911 237 HD21 LEU 30 1HD2 LEU 30 -2.078 22.129 20.029 238 HD22 LEU 30 2HD2 LEU 30 -0.491 21.678 19.406 239 HD23 LEU 30 3HD2 LEU 30 -1.843 21.906 18.296 240 H ILE 31 H ILE 31 -2.268 27.049 21.975 241 HA ILE 31 HA ILE 31 -3.882 25.001 23.245 242 HB ILE 31 HB ILE 31 -3.782 26.182 25.465 243 HG12 ILE 31 2HG1 ILE 31 -1.111 27.194 25.165 244 HG13 ILE 31 3HG1 ILE 31 -2.162 27.971 23.986 245 HG21 ILE 31 1HG2 ILE 31 -2.679 24.041 25.078 246 HG22 ILE 31 2HG2 ILE 31 -1.242 24.879 24.495 247 HG23 ILE 31 3HG2 ILE 31 -1.738 25.047 26.179 248 HD11 ILE 31 1HD1 ILE 31 -1.842 28.971 26.378 249 HD12 ILE 31 2HD1 ILE 31 -3.420 29.003 25.590 250 HD13 ILE 31 3HD1 ILE 31 -3.069 27.780 26.811 251 HA PRO 32 HA PRO 32 -7.138 27.832 22.430 252 HB2 PRO 32 2HB PRO 32 -8.888 27.202 24.407 253 HB3 PRO 32 3HB PRO 32 -8.587 26.149 23.019 254 HG2 PRO 32 2HG PRO 32 -7.478 25.988 25.795 255 HG3 PRO 32 3HG PRO 32 -8.083 24.686 24.755 256 HD2 PRO 32 2HD PRO 32 -5.442 25.192 25.067 257 HD3 PRO 32 3HD PRO 32 -6.121 24.564 23.552 258 H GLU 33 H GLU 33 -6.130 29.828 22.859 259 HA GLU 33 HA GLU 33 -6.320 30.849 25.601 260 HB2 GLU 33 2HB GLU 33 -4.503 31.283 23.382 261 HB3 GLU 33 3HB GLU 33 -5.123 32.804 24.007 262 HG2 GLU 33 2HG GLU 33 -4.472 31.378 26.280 263 HG3 GLU 33 3HG GLU 33 -3.184 30.980 25.144 264 H ILE 34 H ILE 34 -6.608 32.484 22.458 265 HA ILE 34 HA ILE 34 -9.335 33.286 23.062 266 HB ILE 34 HB ILE 34 -7.153 35.337 22.671 267 HG12 ILE 34 2HG1 ILE 34 -8.910 34.725 25.057 268 HG13 ILE 34 3HG1 ILE 34 -7.181 34.419 24.938 269 HG21 ILE 34 1HG2 ILE 34 -8.937 36.991 22.950 270 HG22 ILE 34 2HG2 ILE 34 -9.210 35.973 21.538 271 HG23 ILE 34 3HG2 ILE 34 -10.127 35.692 23.017 272 HD11 ILE 34 1HD1 ILE 34 -7.164 37.030 24.441 273 HD12 ILE 34 2HD1 ILE 34 -8.636 36.943 25.408 274 HD13 ILE 34 3HD1 ILE 34 -7.108 36.367 26.074 275 H ASN 35 H ASN 35 -6.565 33.801 20.888 276 HA ASN 35 HA ASN 35 -8.319 33.247 18.615 277 HB2 ASN 35 2HB ASN 35 -8.127 35.755 18.993 278 HB3 ASN 35 3HB ASN 35 -6.424 35.596 18.576 279 HD21 ASN 35 1HD2 ASN 35 -8.475 37.101 17.219 280 HD22 ASN 35 2HD2 ASN 35 -8.562 36.480 15.610 281 H LEU 36 H LEU 36 -6.698 31.363 19.475 282 HA LEU 36 HA LEU 36 -4.221 31.543 17.906 283 HB2 LEU 36 2HB LEU 36 -3.680 30.941 20.093 284 HB3 LEU 36 3HB LEU 36 -5.067 29.863 20.236 285 HG LEU 36 HG LEU 36 -2.971 29.145 18.260 286 HD11 LEU 36 1HD1 LEU 36 -2.617 28.928 21.243 287 HD12 LEU 36 2HD1 LEU 36 -1.576 29.774 20.098 288 HD13 LEU 36 3HD1 LEU 36 -1.679 28.013 20.062 289 HD21 LEU 36 1HD2 LEU 36 -4.310 27.368 18.242 290 HD22 LEU 36 2HD2 LEU 36 -5.167 27.911 19.685 291 HD23 LEU 36 3HD2 LEU 36 -3.678 26.979 19.842 292 H ASN 37 H ASN 37 -7.318 30.143 17.931 293 HA ASN 37 HA ASN 37 -6.710 27.774 16.451 294 HB2 ASN 37 2HB ASN 37 -8.731 27.949 17.844 295 HB3 ASN 37 3HB ASN 37 -9.344 29.225 16.796 296 HD21 ASN 37 1HD2 ASN 37 -8.203 25.876 16.703 297 HD22 ASN 37 2HD2 ASN 37 -9.309 25.351 15.484 298 H ASP 38 H ASP 38 -8.151 30.911 15.585 299 HA ASP 38 HA ASP 38 -8.451 30.419 12.848 300 HB2 ASP 38 2HB ASP 38 -8.799 32.614 14.610 301 HB3 ASP 38 3HB ASP 38 -7.804 33.178 13.271 302 H THR 39 H THR 39 -5.795 32.050 14.570 303 HA THR 39 HA THR 39 -4.182 32.582 12.362 304 HB THR 39 HB THR 39 -2.489 31.926 14.562 305 HG1 THR 39 HG1 THR 39 -3.507 32.963 16.241 306 HG21 THR 39 1HG2 THR 39 -1.945 33.707 13.092 307 HG22 THR 39 2HG2 THR 39 -2.298 34.451 14.651 308 HG23 THR 39 3HG2 THR 39 -3.499 34.496 13.360 309 H PHE 40 H PHE 40 -3.989 29.819 14.612 310 HA PHE 40 HA PHE 40 -1.949 28.450 13.278 311 HB2 PHE 40 2HB PHE 40 -2.850 27.984 15.600 312 HB3 PHE 40 3HB PHE 40 -4.187 27.140 14.825 313 HD1 PHE 40 HD1 PHE 40 -0.570 27.171 13.964 314 HD2 PHE 40 HD2 PHE 40 -3.896 24.907 15.354 315 HE1 PHE 40 HE1 PHE 40 0.788 25.121 13.865 316 HE2 PHE 40 HE2 PHE 40 -2.543 22.854 15.258 317 HZ PHE 40 HZ PHE 40 -0.198 22.960 14.514 318 H ASP 41 H ASP 41 -5.452 28.355 12.863 319 HA ASP 41 HA ASP 41 -5.633 26.179 11.129 320 HB2 ASP 41 2HB ASP 41 -7.319 28.504 11.807 321 HB3 ASP 41 3HB ASP 41 -7.629 27.792 10.226 322 H THR 42 H THR 42 -5.602 29.633 10.230 323 HA THR 42 HA THR 42 -5.369 29.262 7.480 324 HB THR 42 HB THR 42 -5.684 31.446 8.993 325 HG1 THR 42 HG1 THR 42 -5.415 32.599 7.048 326 HG21 THR 42 1HG2 THR 42 -3.198 31.257 9.617 327 HG22 THR 42 2HG2 THR 42 -3.798 32.835 9.106 328 HG23 THR 42 3HG2 THR 42 -2.882 31.833 7.981 329 H PHE 43 H PHE 43 -2.997 28.990 9.984 330 HA PHE 43 HA PHE 43 -0.706 29.270 8.288 331 HB2 PHE 43 2HB PHE 43 -0.793 29.638 10.816 332 HB3 PHE 43 3HB PHE 43 -0.766 27.884 10.966 333 HD1 PHE 43 HD1 PHE 43 1.300 27.377 11.875 334 HD2 PHE 43 HD2 PHE 43 1.071 30.099 8.611 335 HE1 PHE 43 HE1 PHE 43 3.756 27.404 11.728 336 HE2 PHE 43 HE2 PHE 43 3.526 30.129 8.458 337 HZ PHE 43 HZ PHE 43 4.872 28.780 10.018 338 H ALA 44 H ALA 44 -2.299 26.495 9.848 339 HA ALA 44 HA ALA 44 -0.646 24.542 8.622 340 HB1 ALA 44 1HB ALA 44 -2.865 23.141 9.248 341 HB2 ALA 44 2HB ALA 44 -1.610 23.569 10.411 342 HB3 ALA 44 3HB ALA 44 -3.072 24.548 10.291 343 H LEU 45 H LEU 45 -3.919 25.725 7.893 344 HA LEU 45 HA LEU 45 -4.626 24.079 5.825 345 HB2 LEU 45 2HB LEU 45 -6.288 25.546 6.354 346 HB3 LEU 45 3HB LEU 45 -5.186 26.915 6.489 347 HG LEU 45 HG LEU 45 -5.110 27.132 4.077 348 HD11 LEU 45 1HD1 LEU 45 -5.464 25.346 2.810 349 HD12 LEU 45 2HD1 LEU 45 -7.184 25.495 3.170 350 HD13 LEU 45 3HD1 LEU 45 -6.162 24.457 4.164 351 HD21 LEU 45 1HD2 LEU 45 -8.023 26.849 4.564 352 HD22 LEU 45 2HD2 LEU 45 -7.113 28.193 3.875 353 HD23 LEU 45 3HD2 LEU 45 -7.115 27.931 5.619 354 H ASP 46 H ASP 46 -2.990 27.223 5.398 355 HA ASP 46 HA ASP 46 -2.498 27.081 2.696 356 HB2 ASP 46 2HB ASP 46 -1.842 28.838 4.671 357 HB3 ASP 46 3HB ASP 46 -0.259 28.175 4.273 358 H PHE 47 H PHE 47 -0.369 25.935 5.309 359 HA PHE 47 HA PHE 47 1.689 24.944 3.719 360 HB2 PHE 47 2HB PHE 47 0.811 24.644 6.488 361 HB3 PHE 47 3HB PHE 47 1.601 23.199 5.866 362 HD1 PHE 47 HD1 PHE 47 3.775 23.889 4.343 363 HD2 PHE 47 HD2 PHE 47 2.183 26.054 7.644 364 HE1 PHE 47 HE1 PHE 47 5.973 24.929 4.717 365 HE2 PHE 47 HE2 PHE 47 4.379 27.099 8.022 366 HZ PHE 47 HZ PHE 47 6.277 26.537 6.557 367 H SER 48 H SER 48 -1.381 23.504 4.627 368 HA SER 48 HA SER 48 -0.732 20.923 3.527 369 HB2 SER 48 2HB SER 48 -2.320 21.213 5.426 370 HB3 SER 48 3HB SER 48 -3.438 22.021 4.328 371 HG SER 48 HG SER 48 -3.783 20.147 3.276 372 H ARG 49 H ARG 49 -2.094 23.881 2.380 373 HA ARG 49 HA ARG 49 -3.627 22.998 0.228 374 HB2 ARG 49 2HB ARG 49 -3.075 25.419 1.229 375 HB3 ARG 49 3HB ARG 49 -1.980 25.442 -0.147 376 HG2 ARG 49 2HG ARG 49 -4.878 24.740 -0.453 377 HG3 ARG 49 3HG ARG 49 -4.313 26.412 -0.468 378 HD2 ARG 49 2HD ARG 49 -2.594 25.090 -2.198 379 HD3 ARG 49 3HD ARG 49 -4.175 24.385 -2.536 380 HE ARG 49 HE ARG 49 -4.779 26.350 -3.521 381 HH11 ARG 49 1HH1 ARG 49 -1.874 28.594 -1.924 382 HH12 ARG 49 2HH1 ARG 49 -2.059 26.943 -1.431 383 HH21 ARG 49 1HH2 ARG 49 -3.289 29.491 -3.486 384 HH22 ARG 49 2HH2 ARG 49 -4.545 28.522 -4.179 385 H GLU 50 H GLU 50 -0.167 23.808 0.347 386 HA GLU 50 HA GLU 50 0.256 23.041 -2.391 387 HB2 GLU 50 2HB GLU 50 1.690 24.481 -0.418 388 HB3 GLU 50 3HB GLU 50 2.699 23.123 -0.895 389 HG2 GLU 50 2HG GLU 50 1.487 25.149 -2.762 390 HG3 GLU 50 3HG GLU 50 3.164 25.115 -2.221 391 H LYS 51 H LYS 51 0.593 21.549 0.754 392 HA LYS 51 HA LYS 51 2.202 19.363 0.032 393 HB2 LYS 51 2HB LYS 51 1.884 18.664 2.162 394 HB3 LYS 51 3HB LYS 51 1.188 20.266 2.367 395 HG2 LYS 51 2HG LYS 51 -0.456 18.994 3.294 396 HG3 LYS 51 3HG LYS 51 -1.017 19.040 1.621 397 HD2 LYS 51 2HD LYS 51 0.565 16.881 1.491 398 HD3 LYS 51 3HD LYS 51 0.105 16.796 3.193 399 HE2 LYS 51 2HE LYS 51 -2.192 16.658 2.665 400 HE3 LYS 51 3HE LYS 51 -1.914 17.142 0.992 401 HZ1 LYS 51 1HZ LYS 51 -0.455 14.787 1.689 402 HZ2 LYS 51 2HZ LYS 51 -1.525 15.049 0.405 403 HZ3 LYS 51 3HZ LYS 51 -2.119 14.582 1.918 404 H LYS 52 H LYS 52 -1.186 20.004 -0.412 405 HA LYS 52 HA LYS 52 -1.902 17.284 -1.002 406 HB2 LYS 52 2HB LYS 52 -3.630 18.675 -0.132 407 HB3 LYS 52 3HB LYS 52 -3.331 19.918 -1.340 408 HG2 LYS 52 2HG LYS 52 -5.354 18.725 -1.871 409 HG3 LYS 52 3HG LYS 52 -4.123 18.382 -3.089 410 HD2 LYS 52 2HD LYS 52 -5.112 16.302 -2.611 411 HD3 LYS 52 3HD LYS 52 -3.585 16.298 -1.726 412 HE2 LYS 52 2HE LYS 52 -4.604 16.320 0.292 413 HE3 LYS 52 3HE LYS 52 -5.918 17.356 -0.265 414 HZ1 LYS 52 1HZ LYS 52 -5.698 14.506 -1.041 415 HZ2 LYS 52 2HZ LYS 52 -7.039 15.525 -1.192 416 HZ3 LYS 52 3HZ LYS 52 -6.537 15.010 0.339 417 H LEU 53 H LEU 53 -1.581 20.247 -2.959 418 HA LEU 53 HA LEU 53 -2.059 19.157 -5.454 419 HB2 LEU 53 2HB LEU 53 -1.007 21.580 -4.403 420 HB3 LEU 53 3HB LEU 53 0.041 21.051 -5.717 421 HG LEU 53 HG LEU 53 -1.678 22.622 -6.478 422 HD11 LEU 53 1HD1 LEU 53 -0.782 20.817 -7.951 423 HD12 LEU 53 2HD1 LEU 53 -2.386 21.396 -8.398 424 HD13 LEU 53 3HD1 LEU 53 -2.208 19.859 -7.552 425 HD21 LEU 53 1HD2 LEU 53 -3.698 20.493 -5.809 426 HD22 LEU 53 2HD2 LEU 53 -3.997 22.123 -6.412 427 HD23 LEU 53 3HD2 LEU 53 -3.381 21.886 -4.776 428 H LEU 54 H LEU 54 0.719 18.826 -3.415 429 HA LEU 54 HA LEU 54 2.530 17.970 -5.455 430 HB2 LEU 54 2HB LEU 54 3.520 18.859 -3.524 431 HB3 LEU 54 3HB LEU 54 2.543 17.852 -2.458 432 HG LEU 54 HG LEU 54 4.458 16.495 -4.284 433 HD11 LEU 54 1HD1 LEU 54 6.200 16.783 -2.458 434 HD12 LEU 54 2HD1 LEU 54 5.233 18.147 -1.898 435 HD13 LEU 54 3HD1 LEU 54 5.923 18.164 -3.521 436 HD21 LEU 54 1HD2 LEU 54 2.934 15.936 -1.877 437 HD22 LEU 54 2HD2 LEU 54 4.630 15.480 -1.719 438 HD23 LEU 54 3HD2 LEU 54 3.661 14.826 -3.040 439 H GLU 55 H GLU 55 0.810 16.233 -2.857 440 HA GLU 55 HA GLU 55 1.560 13.655 -3.709 441 HB2 GLU 55 2HB GLU 55 0.567 14.397 -1.453 442 HB3 GLU 55 3HB GLU 55 -0.997 14.258 -2.242 443 HG2 GLU 55 2HG GLU 55 -0.326 11.884 -2.829 444 HG3 GLU 55 3HG GLU 55 1.003 12.094 -1.690 445 H CYS 56 H CYS 56 -1.694 15.105 -3.903 446 HA CYS 56 HA CYS 56 -2.111 13.578 -6.389 447 HB2 CYS 56 2HB CYS 56 -3.879 14.112 -4.051 448 HB3 CYS 56 3HB CYS 56 -4.629 14.039 -5.641 449 HG CYS 56 HG CYS 56 -5.003 11.557 -4.509 450 H LEU 57 H LEU 57 -3.067 14.589 -8.135 451 HA LEU 57 HA LEU 57 -2.834 17.476 -8.162 452 HB2 LEU 57 2HB LEU 57 -3.579 15.543 -10.352 453 HB3 LEU 57 3HB LEU 57 -3.263 17.264 -10.567 454 HG LEU 57 HG LEU 57 -0.978 16.214 -9.322 455 HD11 LEU 57 1HD1 LEU 57 -1.914 13.986 -10.043 456 HD12 LEU 57 2HD1 LEU 57 -0.301 14.373 -10.640 457 HD13 LEU 57 3HD1 LEU 57 -1.696 14.529 -11.707 458 HD21 LEU 57 1HD2 LEU 57 -1.321 18.033 -11.090 459 HD22 LEU 57 2HD2 LEU 57 -1.255 16.721 -12.267 460 HD23 LEU 57 3HD2 LEU 57 0.125 17.032 -11.213 461 H ASP 58 H ASP 58 -4.537 18.820 -9.143 462 HA ASP 58 HA ASP 58 -7.249 17.771 -8.748 463 HB2 ASP 58 2HB ASP 58 -6.955 18.899 -6.709 464 HB3 ASP 58 3HB ASP 58 -6.041 20.204 -7.459 465 H TYR 59 H TYR 59 -5.553 20.767 -9.692 466 HA TYR 59 HA TYR 59 -6.944 20.704 -12.259 467 HB2 TYR 59 2HB TYR 59 -8.162 22.134 -10.430 468 HB3 TYR 59 3HB TYR 59 -6.887 23.301 -10.764 469 HD1 TYR 59 HD1 TYR 59 -6.574 24.020 -13.219 470 HD2 TYR 59 HD2 TYR 59 -10.064 22.058 -11.778 471 HE1 TYR 59 HE1 TYR 59 -7.835 24.848 -15.162 472 HE2 TYR 59 HE2 TYR 59 -11.333 22.879 -13.718 473 HH TYR 59 HH TYR 59 -9.780 24.458 -16.397 474 H LEU 60 H LEU 60 -4.920 22.966 -10.382 475 HA LEU 60 HA LEU 60 -2.736 22.633 -12.256 476 HB2 LEU 60 2HB LEU 60 -4.351 24.393 -13.163 477 HB3 LEU 60 3HB LEU 60 -3.819 25.399 -11.817 478 HG LEU 60 HG LEU 60 -1.451 24.619 -12.998 479 HD11 LEU 60 1HD1 LEU 60 -3.343 25.375 -15.212 480 HD12 LEU 60 2HD1 LEU 60 -2.844 23.716 -14.885 481 HD13 LEU 60 3HD1 LEU 60 -1.643 24.923 -15.341 482 HD21 LEU 60 1HD2 LEU 60 -1.408 26.796 -12.429 483 HD22 LEU 60 2HD2 LEU 60 -3.109 27.043 -12.828 484 HD23 LEU 60 3HD2 LEU 60 -1.893 27.045 -14.106 Start of MODEL 20 1 H LEU 1 H LEU 1 9.278 -5.437 -5.938 2 HA LEU 1 HA LEU 1 10.383 -3.723 -4.685 3 HB2 LEU 1 2HB LEU 1 7.866 -2.527 -5.833 4 HB3 LEU 1 3HB LEU 1 9.368 -1.672 -5.491 5 HG LEU 1 HG LEU 1 9.231 -3.917 -7.486 6 HD11 LEU 1 1HD1 LEU 1 9.220 -1.926 -9.143 7 HD12 LEU 1 2HD1 LEU 1 8.493 -1.037 -7.805 8 HD13 LEU 1 3HD1 LEU 1 7.697 -2.476 -8.443 9 HD21 LEU 1 1HD2 LEU 1 11.086 -1.600 -7.632 10 HD22 LEU 1 2HD2 LEU 1 11.329 -3.278 -8.118 11 HD23 LEU 1 3HD2 LEU 1 11.390 -2.836 -6.411 12 H LYS 2 H LYS 2 9.904 -1.679 -3.327 13 HA LYS 2 HA LYS 2 7.936 -2.363 -1.242 14 HB2 LYS 2 2HB LYS 2 10.689 -2.321 -0.946 15 HB3 LYS 2 3HB LYS 2 10.191 -0.753 -0.324 16 HG2 LYS 2 2HG LYS 2 9.152 -3.427 0.590 17 HG3 LYS 2 3HG LYS 2 10.310 -2.409 1.449 18 HD2 LYS 2 2HD LYS 2 8.654 -0.683 1.736 19 HD3 LYS 2 3HD LYS 2 7.502 -1.569 0.734 20 HE2 LYS 2 2HE LYS 2 8.656 -2.777 3.226 21 HE3 LYS 2 3HE LYS 2 7.260 -1.703 3.293 22 HZ1 LYS 2 1HZ LYS 2 6.480 -3.931 3.176 23 HZ2 LYS 2 2HZ LYS 2 7.463 -4.284 1.846 24 HZ3 LYS 2 3HZ LYS 2 6.165 -3.213 1.676 25 H GLU 3 H GLU 3 7.555 -0.639 -3.533 26 HA GLU 3 HA GLU 3 6.638 1.378 -4.047 27 HB2 GLU 3 2HB GLU 3 6.111 1.061 -1.155 28 HB3 GLU 3 3HB GLU 3 5.973 2.698 -1.781 29 HG2 GLU 3 2HG GLU 3 4.231 2.136 -3.216 30 HG3 GLU 3 3HG GLU 3 4.589 0.412 -3.126 31 H ASN 4 H ASN 4 8.457 2.332 -4.922 32 HA ASN 4 HA ASN 4 10.006 4.068 -3.114 33 HB2 ASN 4 2HB ASN 4 11.772 3.992 -4.901 34 HB3 ASN 4 3HB ASN 4 11.463 2.447 -4.116 35 HD21 ASN 4 1HD2 ASN 4 11.872 0.984 -5.629 36 HD22 ASN 4 2HD2 ASN 4 11.169 0.952 -7.207 37 H ASP 5 H ASP 5 7.419 4.619 -4.458 38 HA ASP 5 HA ASP 5 8.260 7.056 -5.872 39 HB2 ASP 5 2HB ASP 5 7.286 5.051 -7.301 40 HB3 ASP 5 3HB ASP 5 5.747 5.683 -6.723 41 H HIS 6 H HIS 6 5.481 5.407 -4.373 42 HA HIS 6 HA HIS 6 4.142 7.875 -3.788 43 HB2 HIS 6 2HB HIS 6 3.119 5.513 -4.161 44 HB3 HIS 6 3HB HIS 6 3.495 5.260 -2.460 45 HD1 HIS 6 HD1 HIS 6 0.864 5.060 -2.141 46 HD2 HIS 6 HD2 HIS 6 2.259 8.811 -3.256 47 HE1 HIS 6 HE1 HIS 6 -1.025 6.650 -1.662 48 H ALA 7 H ALA 7 6.098 5.565 -1.976 49 HA ALA 7 HA ALA 7 5.704 6.516 0.602 50 HB1 ALA 7 1HB ALA 7 7.282 5.035 1.160 51 HB2 ALA 7 2HB ALA 7 7.278 4.592 -0.547 52 HB3 ALA 7 3HB ALA 7 8.467 5.743 0.062 53 H ARG 8 H ARG 8 8.186 7.504 -1.756 54 HA ARG 8 HA ARG 8 9.428 9.439 -0.164 55 HB2 ARG 8 2HB ARG 8 9.160 9.696 -3.150 56 HB3 ARG 8 3HB ARG 8 10.503 10.184 -2.125 57 HG2 ARG 8 2HG ARG 8 10.295 7.452 -1.713 58 HG3 ARG 8 3HG ARG 8 10.001 7.662 -3.440 59 HD2 ARG 8 2HD ARG 8 12.341 7.375 -3.170 60 HD3 ARG 8 3HD ARG 8 12.072 9.084 -3.512 61 HE ARG 8 HE ARG 8 12.844 9.598 -1.412 62 HH11 ARG 8 1HH1 ARG 8 12.982 5.817 -0.101 63 HH12 ARG 8 2HH1 ARG 8 12.233 6.177 -1.622 64 HH21 ARG 8 1HH2 ARG 8 13.890 7.502 1.158 65 HH22 ARG 8 2HH2 ARG 8 13.832 9.137 0.592 66 H PHE 9 H PHE 9 6.926 9.868 -2.668 67 HA PHE 9 HA PHE 9 6.567 12.602 -2.412 68 HB2 PHE 9 2HB PHE 9 5.101 10.378 -3.570 69 HB3 PHE 9 3HB PHE 9 4.014 11.602 -2.923 70 HD1 PHE 9 HD1 PHE 9 3.156 12.703 -4.767 71 HD2 PHE 9 HD2 PHE 9 7.345 11.984 -4.531 72 HE1 PHE 9 HE1 PHE 9 3.502 14.073 -6.781 73 HE2 PHE 9 HE2 PHE 9 7.697 13.353 -6.544 74 HZ PHE 9 HZ PHE 9 5.775 14.401 -7.672 75 H LEU 10 H LEU 10 4.919 9.982 -0.671 76 HA LEU 10 HA LEU 10 3.179 11.556 0.840 77 HB2 LEU 10 2HB LEU 10 4.028 8.831 0.765 78 HB3 LEU 10 3HB LEU 10 4.002 9.376 2.441 79 HG LEU 10 HG LEU 10 1.609 9.978 0.802 80 HD11 LEU 10 1HD1 LEU 10 2.458 7.554 0.342 81 HD12 LEU 10 2HD1 LEU 10 0.758 7.845 0.708 82 HD13 LEU 10 3HD1 LEU 10 1.838 7.241 1.964 83 HD21 LEU 10 1HD2 LEU 10 0.651 10.202 2.808 84 HD22 LEU 10 2HD2 LEU 10 2.293 10.173 3.451 85 HD23 LEU 10 3HD2 LEU 10 1.338 8.691 3.404 86 H GLN 11 H GLN 11 6.488 10.495 1.533 87 HA GLN 11 HA GLN 11 6.725 11.440 4.131 88 HB2 GLN 11 2HB GLN 11 8.600 10.814 1.932 89 HB3 GLN 11 3HB GLN 11 9.225 11.869 3.193 90 HG2 GLN 11 2HG GLN 11 8.236 10.034 4.781 91 HG3 GLN 11 3HG GLN 11 8.380 9.022 3.345 92 HE21 GLN 11 1HE2 GLN 11 10.200 7.944 3.214 93 HE22 GLN 11 2HE2 GLN 11 11.725 8.424 3.865 94 H THR 12 H THR 12 6.763 13.166 1.107 95 HA THR 12 HA THR 12 7.845 15.596 2.173 96 HB THR 12 HB THR 12 6.444 14.952 -0.419 97 HG1 THR 12 HG1 THR 12 9.104 15.840 0.068 98 HG21 THR 12 1HG2 THR 12 7.413 17.320 -1.005 99 HG22 THR 12 2HG2 THR 12 7.240 17.591 0.730 100 HG23 THR 12 3HG2 THR 12 5.831 17.167 -0.242 101 H ALA 13 H ALA 13 4.590 14.699 1.013 102 HA ALA 13 HA ALA 13 3.230 16.988 1.707 103 HB1 ALA 13 1HB ALA 13 1.619 15.774 0.784 104 HB2 ALA 13 2HB ALA 13 2.545 14.291 1.019 105 HB3 ALA 13 3HB ALA 13 1.478 14.877 2.296 106 H LYS 14 H LYS 14 3.902 14.163 3.748 107 HA LYS 14 HA LYS 14 2.544 15.169 6.033 108 HB2 LYS 14 2HB LYS 14 3.880 12.779 5.298 109 HB3 LYS 14 3HB LYS 14 4.636 13.358 6.776 110 HG2 LYS 14 2HG LYS 14 2.753 13.057 8.025 111 HG3 LYS 14 3HG LYS 14 1.669 13.301 6.653 112 HD2 LYS 14 2HD LYS 14 2.225 11.114 5.780 113 HD3 LYS 14 3HD LYS 14 3.416 10.873 7.060 114 HE2 LYS 14 2HE LYS 14 0.481 11.324 7.569 115 HE3 LYS 14 3HE LYS 14 1.209 9.726 7.416 116 HZ1 LYS 14 1HZ LYS 14 1.275 11.568 9.624 117 HZ2 LYS 14 2HZ LYS 14 2.798 10.946 9.231 118 HZ3 LYS 14 3HZ LYS 14 1.526 9.895 9.604 119 H ASN 15 H ASN 15 5.961 15.099 5.073 120 HA ASN 15 HA ASN 15 7.062 16.226 7.365 121 HB2 ASN 15 2HB ASN 15 8.501 15.279 5.691 122 HB3 ASN 15 3HB ASN 15 7.930 16.419 4.477 123 HD21 ASN 15 1HD2 ASN 15 9.460 17.808 4.005 124 HD22 ASN 15 2HD2 ASN 15 10.529 18.572 5.127 125 H ILE 16 H ILE 16 5.181 17.671 4.859 126 HA ILE 16 HA ILE 16 6.010 20.369 5.286 127 HB ILE 16 HB ILE 16 3.530 19.244 3.986 128 HG12 ILE 16 2HG1 ILE 16 5.690 20.679 2.516 129 HG13 ILE 16 3HG1 ILE 16 6.016 19.035 3.053 130 HG21 ILE 16 1HG2 ILE 16 2.887 21.393 4.655 131 HG22 ILE 16 2HG2 ILE 16 4.478 22.071 4.314 132 HG23 ILE 16 3HG2 ILE 16 3.420 21.596 2.986 133 HD11 ILE 16 1HD1 ILE 16 4.993 18.305 1.238 134 HD12 ILE 16 2HD1 ILE 16 3.484 18.975 1.859 135 HD13 ILE 16 3HD1 ILE 16 4.510 19.944 0.802 136 H THR 17 H THR 17 3.047 18.596 6.178 137 HA THR 17 HA THR 17 2.141 20.719 7.890 138 HB THR 17 HB THR 17 0.957 18.026 8.215 139 HG1 THR 17 HG1 THR 17 0.498 19.475 5.814 140 HG21 THR 17 1HG2 THR 17 -1.055 19.690 7.555 141 HG22 THR 17 2HG2 THR 17 0.118 20.859 8.161 142 HG23 THR 17 3HG2 THR 17 -0.422 19.536 9.194 143 H GLU 18 H GLU 18 4.316 18.151 8.234 144 HA GLU 18 HA GLU 18 3.888 17.778 11.076 145 HB2 GLU 18 2HB GLU 18 5.791 16.616 9.064 146 HB3 GLU 18 3HB GLU 18 6.060 16.390 10.786 147 HG2 GLU 18 2HG GLU 18 3.505 15.639 9.395 148 HG3 GLU 18 3HG GLU 18 4.854 14.529 9.631 149 H ARG 19 H ARG 19 6.213 19.344 8.936 150 HA ARG 19 HA ARG 19 8.033 20.093 10.990 151 HB2 ARG 19 2HB ARG 19 8.474 19.941 8.471 152 HB3 ARG 19 3HB ARG 19 7.701 21.516 8.356 153 HG2 ARG 19 2HG ARG 19 9.515 21.939 10.343 154 HG3 ARG 19 3HG ARG 19 10.367 20.791 9.307 155 HD2 ARG 19 2HD ARG 19 9.984 22.235 7.379 156 HD3 ARG 19 3HD ARG 19 9.097 23.371 8.395 157 HE ARG 19 HE ARG 19 11.632 23.018 9.506 158 HH11 ARG 19 1HH1 ARG 19 11.426 25.508 6.378 159 HH12 ARG 19 2HH1 ARG 19 10.177 24.335 6.631 160 HH21 ARG 19 1HH2 ARG 19 13.194 25.633 7.830 161 HH22 ARG 19 2HH2 ARG 19 13.284 24.558 9.184 162 H VAL 20 H VAL 20 5.204 21.587 9.551 163 HA VAL 20 HA VAL 20 5.588 24.168 10.684 164 HB VAL 20 HB VAL 20 4.141 23.883 8.755 165 HG11 VAL 20 1HG1 VAL 20 2.269 22.552 8.663 166 HG12 VAL 20 2HG1 VAL 20 3.312 21.590 9.713 167 HG13 VAL 20 3HG1 VAL 20 2.029 22.580 10.409 168 HG21 VAL 20 1HG2 VAL 20 3.397 25.240 11.168 169 HG22 VAL 20 2HG2 VAL 20 3.162 25.737 9.493 170 HG23 VAL 20 3HG2 VAL 20 1.950 24.737 10.294 171 H SER 21 H SER 21 3.662 21.345 11.641 172 HA SER 21 HA SER 21 2.371 22.444 13.846 173 HB2 SER 21 2HB SER 21 2.448 19.964 12.665 174 HB3 SER 21 3HB SER 21 3.216 19.657 14.223 175 HG SER 21 HG SER 21 1.310 19.739 15.074 176 H MET 22 H MET 22 5.429 20.614 13.772 177 HA MET 22 HA MET 22 6.030 20.844 16.492 178 HB2 MET 22 2HB MET 22 7.579 20.257 14.025 179 HB3 MET 22 3HB MET 22 8.494 20.703 15.459 180 HG2 MET 22 2HG MET 22 7.178 18.900 16.670 181 HG3 MET 22 3HG MET 22 6.662 18.362 15.073 182 HE1 MET 22 1HE MET 22 8.538 17.141 13.244 183 HE2 MET 22 2HE MET 22 8.855 18.876 13.264 184 HE3 MET 22 3HE MET 22 10.191 17.733 13.410 185 H ALA 23 H ALA 23 6.825 22.956 13.768 186 HA ALA 23 HA ALA 23 8.491 24.736 15.179 187 HB1 ALA 23 1HB ALA 23 7.312 26.251 13.188 188 HB2 ALA 23 2HB ALA 23 8.797 25.309 13.048 189 HB3 ALA 23 3HB ALA 23 7.256 24.605 12.558 190 H THR 24 H THR 24 5.116 25.237 14.124 191 HA THR 24 HA THR 24 4.642 27.580 15.528 192 HB THR 24 HB THR 24 2.423 25.596 15.280 193 HG1 THR 24 HG1 THR 24 2.888 25.302 13.241 194 HG21 THR 24 1HG2 THR 24 1.263 27.466 15.633 195 HG22 THR 24 2HG2 THR 24 1.835 28.069 14.077 196 HG23 THR 24 3HG2 THR 24 2.731 28.439 15.550 197 H ALA 25 H ALA 25 4.281 24.224 16.582 198 HA ALA 25 HA ALA 25 3.046 24.717 19.050 199 HB1 ALA 25 1HB ALA 25 4.812 22.465 18.121 200 HB2 ALA 25 2HB ALA 25 4.015 22.483 19.694 201 HB3 ALA 25 3HB ALA 25 3.051 22.498 18.218 202 H SER 26 H SER 26 6.428 24.747 18.086 203 HA SER 26 HA SER 26 7.249 25.311 20.839 204 HB2 SER 26 2HB SER 26 8.480 24.001 18.596 205 HB3 SER 26 3HB SER 26 9.494 25.345 19.119 206 HG SER 26 HG SER 26 9.802 24.402 21.022 207 H SER 27 H SER 27 6.007 27.076 18.491 208 HA SER 27 HA SER 27 7.915 29.296 18.685 209 HB2 SER 27 2HB SER 27 6.119 28.354 16.621 210 HB3 SER 27 3HB SER 27 5.809 30.050 16.990 211 HG SER 27 HG SER 27 8.440 29.117 16.606 212 H GLN 28 H GLN 28 4.608 28.374 19.414 213 HA GLN 28 HA GLN 28 4.335 30.851 20.983 214 HB2 GLN 28 2HB GLN 28 2.279 29.475 19.261 215 HB3 GLN 28 3HB GLN 28 1.843 30.639 20.504 216 HG2 GLN 28 2HG GLN 28 3.089 32.369 19.388 217 HG3 GLN 28 3HG GLN 28 3.681 31.215 18.193 218 HE21 GLN 28 1HE2 GLN 28 0.869 32.926 19.374 219 HE22 GLN 28 2HE2 GLN 28 -0.077 32.758 17.938 220 H VAL 29 H VAL 29 2.275 27.980 20.634 221 HA VAL 29 HA VAL 29 3.026 26.683 22.995 222 HB VAL 29 HB VAL 29 2.203 28.599 24.205 223 HG11 VAL 29 1HG1 VAL 29 -0.446 28.189 22.826 224 HG12 VAL 29 2HG1 VAL 29 -0.040 29.445 23.997 225 HG13 VAL 29 3HG1 VAL 29 0.719 29.443 22.404 226 HG21 VAL 29 1HG2 VAL 29 1.777 26.394 25.171 227 HG22 VAL 29 2HG2 VAL 29 0.507 27.538 25.604 228 HG23 VAL 29 3HG2 VAL 29 0.217 26.332 24.350 229 H LEU 30 H LEU 30 0.470 27.476 20.731 230 HA LEU 30 HA LEU 30 -1.028 26.182 19.610 231 HB2 LEU 30 2HB LEU 30 1.121 24.695 19.574 232 HB3 LEU 30 3HB LEU 30 0.213 23.699 20.710 233 HG LEU 30 HG LEU 30 -1.546 24.112 18.599 234 HD11 LEU 30 1HD1 LEU 30 -0.135 24.838 16.964 235 HD12 LEU 30 2HD1 LEU 30 0.066 23.097 16.771 236 HD13 LEU 30 3HD1 LEU 30 1.270 24.030 17.659 237 HD21 LEU 30 1HD2 LEU 30 0.031 21.920 19.755 238 HD22 LEU 30 2HD2 LEU 30 -0.514 21.657 18.098 239 HD23 LEU 30 3HD2 LEU 30 -1.688 22.005 19.368 240 H ILE 31 H ILE 31 -2.493 27.065 21.285 241 HA ILE 31 HA ILE 31 -3.919 24.886 22.564 242 HB ILE 31 HB ILE 31 -4.102 26.160 24.724 243 HG12 ILE 31 2HG1 ILE 31 -1.574 27.505 24.530 244 HG13 ILE 31 3HG1 ILE 31 -2.633 28.081 23.248 245 HG21 ILE 31 1HG2 ILE 31 -1.359 25.166 23.960 246 HG22 ILE 31 2HG2 ILE 31 -1.972 25.341 25.603 247 HG23 ILE 31 3HG2 ILE 31 -2.708 24.171 24.508 248 HD11 ILE 31 1HD1 ILE 31 -2.789 28.473 26.151 249 HD12 ILE 31 2HD1 ILE 31 -3.324 29.509 24.828 250 HD13 ILE 31 3HD1 ILE 31 -4.323 28.151 25.344 251 HA PRO 32 HA PRO 32 -7.441 27.246 21.423 252 HB2 PRO 32 2HB PRO 32 -9.221 26.485 23.326 253 HB3 PRO 32 3HB PRO 32 -8.705 25.420 22.013 254 HG2 PRO 32 2HG PRO 32 -7.761 25.520 24.852 255 HG3 PRO 32 3HG PRO 32 -8.135 24.108 23.846 256 HD2 PRO 32 2HD PRO 32 -5.601 24.957 24.282 257 HD3 PRO 32 3HD PRO 32 -6.101 24.184 22.764 258 H GLU 33 H GLU 33 -7.069 29.402 21.703 259 HA GLU 33 HA GLU 33 -7.518 30.500 24.401 260 HB2 GLU 33 2HB GLU 33 -5.474 31.024 22.410 261 HB3 GLU 33 3HB GLU 33 -6.319 32.497 22.863 262 HG2 GLU 33 2HG GLU 33 -5.512 30.770 25.099 263 HG3 GLU 33 3HG GLU 33 -4.194 31.495 24.180 264 H ILE 34 H ILE 34 -7.546 31.946 21.154 265 HA ILE 34 HA ILE 34 -10.322 32.250 20.927 266 HB ILE 34 HB ILE 34 -10.199 33.729 22.831 267 HG12 ILE 34 2HG1 ILE 34 -10.479 35.296 20.257 268 HG13 ILE 34 3HG1 ILE 34 -11.744 34.337 21.018 269 HG21 ILE 34 1HG2 ILE 34 -7.781 34.272 22.560 270 HG22 ILE 34 2HG2 ILE 34 -8.229 35.399 21.281 271 HG23 ILE 34 3HG2 ILE 34 -8.796 35.666 22.930 272 HD11 ILE 34 1HD1 ILE 34 -12.200 36.562 21.585 273 HD12 ILE 34 2HD1 ILE 34 -11.473 35.855 23.028 274 HD13 ILE 34 3HD1 ILE 34 -10.514 36.896 21.977 275 H ASN 35 H ASN 35 -7.165 33.688 20.276 276 HA ASN 35 HA ASN 35 -8.068 34.291 17.537 277 HB2 ASN 35 2HB ASN 35 -6.041 35.617 19.318 278 HB3 ASN 35 3HB ASN 35 -5.956 35.799 17.568 279 HD21 ASN 35 1HD2 ASN 35 -7.793 36.723 16.484 280 HD22 ASN 35 2HD2 ASN 35 -8.804 37.847 17.320 281 H LEU 36 H LEU 36 -5.663 32.701 19.502 282 HA LEU 36 HA LEU 36 -3.678 32.147 17.669 283 HB2 LEU 36 2HB LEU 36 -3.436 31.564 19.982 284 HB3 LEU 36 3HB LEU 36 -4.781 30.430 19.885 285 HG LEU 36 HG LEU 36 -2.437 29.926 18.133 286 HD11 LEU 36 1HD1 LEU 36 -1.486 30.571 20.348 287 HD12 LEU 36 2HD1 LEU 36 -1.149 28.910 19.865 288 HD13 LEU 36 3HD1 LEU 36 -2.397 29.242 21.066 289 HD21 LEU 36 1HD2 LEU 36 -3.800 28.174 17.833 290 HD22 LEU 36 2HD2 LEU 36 -4.684 28.477 19.328 291 HD23 LEU 36 3HD2 LEU 36 -3.151 27.605 19.371 292 H ASN 37 H ASN 37 -6.795 30.562 18.098 293 HA ASN 37 HA ASN 37 -6.410 28.339 16.465 294 HB2 ASN 37 2HB ASN 37 -8.842 29.941 17.208 295 HB3 ASN 37 3HB ASN 37 -8.966 28.596 16.078 296 HD21 ASN 37 1HD2 ASN 37 -10.359 28.527 18.396 297 HD22 ASN 37 2HD2 ASN 37 -9.689 27.343 19.462 298 H ASP 38 H ASP 38 -7.693 31.547 15.611 299 HA ASP 38 HA ASP 38 -8.102 31.050 12.888 300 HB2 ASP 38 2HB ASP 38 -7.909 33.425 14.619 301 HB3 ASP 38 3HB ASP 38 -7.492 33.712 12.932 302 H THR 39 H THR 39 -5.314 32.558 14.511 303 HA THR 39 HA THR 39 -3.738 32.969 12.251 304 HB THR 39 HB THR 39 -2.025 32.251 14.419 305 HG1 THR 39 HG1 THR 39 -2.963 33.677 16.008 306 HG21 THR 39 1HG2 THR 39 -1.540 33.984 12.786 307 HG22 THR 39 2HG2 THR 39 -1.543 34.673 14.409 308 HG23 THR 39 3HG2 THR 39 -2.923 34.926 13.341 309 H PHE 40 H PHE 40 -3.623 30.234 14.539 310 HA PHE 40 HA PHE 40 -1.701 28.738 13.169 311 HB2 PHE 40 2HB PHE 40 -2.527 28.342 15.518 312 HB3 PHE 40 3HB PHE 40 -3.962 27.600 14.819 313 HD1 PHE 40 HD1 PHE 40 -0.392 27.335 13.810 314 HD2 PHE 40 HD2 PHE 40 -3.834 25.353 15.341 315 HE1 PHE 40 HE1 PHE 40 0.792 25.182 13.676 316 HE2 PHE 40 HE2 PHE 40 -2.655 23.197 15.209 317 HZ PHE 40 HZ PHE 40 -0.339 23.110 14.377 318 H ASP 41 H ASP 41 -5.213 28.827 12.854 319 HA ASP 41 HA ASP 41 -5.563 26.638 11.163 320 HB2 ASP 41 2HB ASP 41 -7.097 29.072 11.833 321 HB3 ASP 41 3HB ASP 41 -7.495 28.331 10.285 322 H THR 42 H THR 42 -5.358 30.071 10.207 323 HA THR 42 HA THR 42 -5.220 29.637 7.456 324 HB THR 42 HB THR 42 -5.389 31.862 8.935 325 HG1 THR 42 HG1 THR 42 -4.180 32.038 6.381 326 HG21 THR 42 1HG2 THR 42 -2.907 31.575 9.504 327 HG22 THR 42 2HG2 THR 42 -3.433 33.165 8.952 328 HG23 THR 42 3HG2 THR 42 -2.597 32.078 7.843 329 H PHE 43 H PHE 43 -2.798 29.315 9.910 330 HA PHE 43 HA PHE 43 -0.541 29.443 8.152 331 HB2 PHE 43 2HB PHE 43 -0.509 29.891 10.649 332 HB3 PHE 43 3HB PHE 43 -0.634 28.149 10.879 333 HD1 PHE 43 HD1 PHE 43 1.421 27.657 11.879 334 HD2 PHE 43 HD2 PHE 43 1.315 29.931 8.283 335 HE1 PHE 43 HE1 PHE 43 3.866 27.458 11.685 336 HE2 PHE 43 HE2 PHE 43 3.759 29.735 8.082 337 HZ PHE 43 HZ PHE 43 5.038 28.496 9.784 338 H ALA 44 H ALA 44 -2.214 26.780 9.822 339 HA ALA 44 HA ALA 44 -0.690 24.727 8.594 340 HB1 ALA 44 1HB ALA 44 -1.875 23.304 9.883 341 HB2 ALA 44 2HB ALA 44 -2.354 24.790 10.706 342 HB3 ALA 44 3HB ALA 44 -3.417 24.068 9.499 343 H LEU 45 H LEU 45 -3.928 26.039 7.936 344 HA LEU 45 HA LEU 45 -4.782 24.386 5.936 345 HB2 LEU 45 2HB LEU 45 -5.783 26.582 6.994 346 HB3 LEU 45 3HB LEU 45 -5.114 27.319 5.540 347 HG LEU 45 HG LEU 45 -7.384 26.880 5.076 348 HD11 LEU 45 1HD1 LEU 45 -5.716 26.206 3.334 349 HD12 LEU 45 2HD1 LEU 45 -7.284 25.410 3.210 350 HD13 LEU 45 3HD1 LEU 45 -5.906 24.542 3.888 351 HD21 LEU 45 1HD2 LEU 45 -8.577 25.255 6.019 352 HD22 LEU 45 2HD2 LEU 45 -7.135 24.851 6.951 353 HD23 LEU 45 3HD2 LEU 45 -7.472 24.009 5.438 354 H ASP 46 H ASP 46 -3.012 27.431 5.351 355 HA ASP 46 HA ASP 46 -2.605 27.193 2.650 356 HB2 ASP 46 2HB ASP 46 -1.763 28.938 4.570 357 HB3 ASP 46 3HB ASP 46 -0.244 28.171 4.116 358 H PHE 47 H PHE 47 -0.490 25.940 5.223 359 HA PHE 47 HA PHE 47 1.457 24.796 3.595 360 HB2 PHE 47 2HB PHE 47 0.618 24.565 6.391 361 HB3 PHE 47 3HB PHE 47 1.339 23.089 5.757 362 HD1 PHE 47 HD1 PHE 47 3.441 23.898 4.043 363 HD2 PHE 47 HD2 PHE 47 2.133 25.716 7.663 364 HE1 PHE 47 HE1 PHE 47 5.685 24.853 4.370 365 HE2 PHE 47 HE2 PHE 47 4.375 26.675 7.995 366 HZ PHE 47 HZ PHE 47 6.154 26.245 6.347 367 H SER 48 H SER 48 -1.499 23.342 4.925 368 HA SER 48 HA SER 48 -1.203 20.759 3.999 369 HB2 SER 48 2HB SER 48 -3.048 21.636 5.482 370 HB3 SER 48 3HB SER 48 -3.830 22.257 4.029 371 HG SER 48 HG SER 48 -3.939 19.803 5.026 372 H ARG 49 H ARG 49 -2.535 23.567 2.296 373 HA ARG 49 HA ARG 49 -3.444 22.371 -0.013 374 HB2 ARG 49 2HB ARG 49 -3.398 24.882 0.760 375 HB3 ARG 49 3HB ARG 49 -1.928 24.944 -0.203 376 HG2 ARG 49 2HG ARG 49 -3.357 23.930 -2.080 377 HG3 ARG 49 3HG ARG 49 -4.736 24.420 -1.094 378 HD2 ARG 49 2HD ARG 49 -3.645 26.730 -1.038 379 HD3 ARG 49 3HD ARG 49 -2.620 26.144 -2.347 380 HE ARG 49 HE ARG 49 -5.261 25.633 -3.058 381 HH11 ARG 49 1HH1 ARG 49 -4.053 29.419 -3.539 382 HH12 ARG 49 2HH1 ARG 49 -3.200 28.372 -2.454 383 HH21 ARG 49 1HH2 ARG 49 -5.870 28.639 -4.696 384 HH22 ARG 49 2HH2 ARG 49 -6.393 27.002 -4.490 385 H GLU 50 H GLU 50 -0.138 23.371 0.778 386 HA GLU 50 HA GLU 50 0.952 22.636 -1.749 387 HB2 GLU 50 2HB GLU 50 1.867 24.174 0.235 388 HB3 GLU 50 3HB GLU 50 2.681 22.677 0.669 389 HG2 GLU 50 2HG GLU 50 3.421 22.651 -1.812 390 HG3 GLU 50 3HG GLU 50 3.006 24.364 -1.771 391 H LYS 51 H LYS 51 0.161 20.913 1.126 392 HA LYS 51 HA LYS 51 1.915 18.686 0.651 393 HB2 LYS 51 2HB LYS 51 1.413 18.840 2.894 394 HB3 LYS 51 3HB LYS 51 -0.249 19.334 2.599 395 HG2 LYS 51 2HG LYS 51 -0.117 16.757 1.587 396 HG3 LYS 51 3HG LYS 51 0.842 16.701 3.068 397 HD2 LYS 51 2HD LYS 51 -1.122 16.435 4.113 398 HD3 LYS 51 3HD LYS 51 -1.341 18.165 3.840 399 HE2 LYS 51 2HE LYS 51 -3.299 16.882 3.124 400 HE3 LYS 51 3HE LYS 51 -2.530 17.704 1.767 401 HZ1 LYS 51 1HZ LYS 51 -1.706 15.728 0.930 402 HZ2 LYS 51 2HZ LYS 51 -3.233 15.267 1.493 403 HZ3 LYS 51 3HZ LYS 51 -1.852 14.905 2.401 404 H LYS 52 H LYS 52 -1.595 19.214 0.366 405 HA LYS 52 HA LYS 52 -2.116 16.671 -0.790 406 HB2 LYS 52 2HB LYS 52 -4.329 17.685 -1.381 407 HB3 LYS 52 3HB LYS 52 -3.905 17.813 0.321 408 HG2 LYS 52 2HG LYS 52 -2.912 20.147 -0.721 409 HG3 LYS 52 3HG LYS 52 -4.393 19.898 -1.650 410 HD2 LYS 52 2HD LYS 52 -5.196 19.306 0.901 411 HD3 LYS 52 3HD LYS 52 -4.033 20.607 1.166 412 HE2 LYS 52 2HE LYS 52 -5.290 21.837 -0.705 413 HE3 LYS 52 3HE LYS 52 -6.561 20.641 -0.451 414 HZ1 LYS 52 1HZ LYS 52 -5.620 21.849 1.982 415 HZ2 LYS 52 2HZ LYS 52 -7.202 21.627 1.428 416 HZ3 LYS 52 3HZ LYS 52 -6.305 22.964 0.910 417 H LEU 53 H LEU 53 -1.235 19.793 -2.077 418 HA LEU 53 HA LEU 53 -1.891 19.154 -4.796 419 HB2 LEU 53 2HB LEU 53 -1.885 21.457 -4.002 420 HB3 LEU 53 3HB LEU 53 -0.165 21.339 -3.640 421 HG LEU 53 HG LEU 53 -0.774 20.735 -6.424 422 HD11 LEU 53 1HD1 LEU 53 -2.337 22.315 -6.715 423 HD12 LEU 53 2HD1 LEU 53 -0.980 23.436 -6.611 424 HD13 LEU 53 3HD1 LEU 53 -1.965 23.110 -5.185 425 HD21 LEU 53 1HD2 LEU 53 1.420 21.391 -5.084 426 HD22 LEU 53 2HD2 LEU 53 0.912 23.015 -5.547 427 HD23 LEU 53 3HD2 LEU 53 1.207 21.796 -6.787 428 H LEU 54 H LEU 54 0.805 18.639 -2.713 429 HA LEU 54 HA LEU 54 2.703 18.219 -4.851 430 HB2 LEU 54 2HB LEU 54 3.410 19.115 -2.681 431 HB3 LEU 54 3HB LEU 54 2.903 17.617 -1.903 432 HG LEU 54 HG LEU 54 5.409 17.996 -2.369 433 HD11 LEU 54 1HD1 LEU 54 3.838 15.746 -2.093 434 HD12 LEU 54 2HD1 LEU 54 5.597 15.811 -1.986 435 HD13 LEU 54 3HD1 LEU 54 4.822 15.394 -3.514 436 HD21 LEU 54 1HD2 LEU 54 4.900 16.777 -5.024 437 HD22 LEU 54 2HD2 LEU 54 6.234 17.794 -4.478 438 HD23 LEU 54 3HD2 LEU 54 4.675 18.520 -4.871 439 H GLU 55 H GLU 55 0.407 16.357 -3.091 440 HA GLU 55 HA GLU 55 1.599 13.853 -4.066 441 HB2 GLU 55 2HB GLU 55 0.823 14.363 -1.566 442 HB3 GLU 55 3HB GLU 55 -0.727 13.841 -2.209 443 HG2 GLU 55 2HG GLU 55 0.676 11.820 -3.107 444 HG3 GLU 55 3HG GLU 55 1.782 12.294 -1.819 445 H CYS 56 H CYS 56 -1.694 15.108 -3.504 446 HA CYS 56 HA CYS 56 -2.643 13.574 -5.793 447 HB2 CYS 56 2HB CYS 56 -3.773 13.925 -3.393 448 HB3 CYS 56 3HB CYS 56 -4.487 15.302 -4.224 449 HG CYS 56 HG CYS 56 -6.476 13.620 -4.618 450 H LEU 57 H LEU 57 -4.167 14.622 -7.319 451 HA LEU 57 HA LEU 57 -3.124 17.249 -8.091 452 HB2 LEU 57 2HB LEU 57 -4.334 14.960 -9.547 453 HB3 LEU 57 3HB LEU 57 -4.567 16.576 -10.211 454 HG LEU 57 HG LEU 57 -1.864 15.380 -9.619 455 HD11 LEU 57 1HD1 LEU 57 -2.993 14.052 -11.319 456 HD12 LEU 57 2HD1 LEU 57 -1.683 14.998 -12.025 457 HD13 LEU 57 3HD1 LEU 57 -3.355 15.515 -12.236 458 HD21 LEU 57 1HD2 LEU 57 -1.673 17.302 -11.602 459 HD22 LEU 57 2HD2 LEU 57 -1.210 17.488 -9.910 460 HD23 LEU 57 3HD2 LEU 57 -2.814 17.990 -10.446 461 H ASP 58 H ASP 58 -4.319 19.028 -7.921 462 HA ASP 58 HA ASP 58 -7.123 19.110 -8.309 463 HB2 ASP 58 2HB ASP 58 -7.020 18.053 -6.037 464 HB3 ASP 58 3HB ASP 58 -6.236 19.516 -5.448 465 H TYR 59 H TYR 59 -7.584 21.083 -9.028 466 HA TYR 59 HA TYR 59 -7.340 23.271 -9.604 467 HB2 TYR 59 2HB TYR 59 -7.792 23.285 -7.018 468 HB3 TYR 59 3HB TYR 59 -6.121 23.829 -6.926 469 HD1 TYR 59 HD1 TYR 59 -9.248 24.615 -8.822 470 HD2 TYR 59 HD2 TYR 59 -5.743 26.103 -6.926 471 HE1 TYR 59 HE1 TYR 59 -9.980 26.916 -9.290 472 HE2 TYR 59 HE2 TYR 59 -6.465 28.409 -7.387 473 HH TYR 59 HH TYR 59 -8.481 29.307 -9.543 474 H LEU 60 H LEU 60 -5.681 22.767 -11.136 475 HA LEU 60 HA LEU 60 -3.627 22.948 -12.104 476 HB2 LEU 60 2HB LEU 60 -4.256 25.339 -11.315 477 HB3 LEU 60 3HB LEU 60 -2.986 25.093 -10.118 478 HG LEU 60 HG LEU 60 -1.741 24.423 -12.479 479 HD11 LEU 60 1HD1 LEU 60 -3.124 26.989 -13.101 480 HD12 LEU 60 2HD1 LEU 60 -3.911 25.463 -13.502 481 HD13 LEU 60 3HD1 LEU 60 -2.329 25.844 -14.182 482 HD21 LEU 60 1HD2 LEU 60 -0.695 25.695 -10.754 483 HD22 LEU 60 2HD2 LEU 60 -1.839 27.022 -10.957 484 HD23 LEU 60 3HD2 LEU 60 -0.664 26.669 -12.224
Contact the webmaster for help, if required. Wednesday, June 5, 2024 3:30:46 AM GMT (wattos1)