NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623061 | 5nww | 34134 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 -25.393 -3.768 -0.372 2 HA2 GLY 1 1HA GLY 1 -25.237 -4.582 1.746 3 HA3 GLY 1 2HA GLY 1 -24.526 -6.064 1.136 4 H ILE 2 HN ILE 2 -22.188 -5.925 0.327 5 HA ILE 2 HA ILE 2 -20.720 -3.783 1.671 6 HB ILE 2 HB ILE 2 -19.112 -5.427 2.534 7 HG12 ILE 2 2HG1 ILE 2 -21.129 -7.461 1.546 8 HG13 ILE 2 3HG1 ILE 2 -19.472 -7.270 1.009 9 HG21 ILE 2 1HG2 ILE 2 -21.443 -4.598 3.651 10 HG22 ILE 2 2HG2 ILE 2 -21.623 -6.364 3.772 11 HG23 ILE 2 3HG2 ILE 2 -20.207 -5.563 4.493 12 HD11 ILE 2 1HD1 ILE 2 -19.122 -8.947 2.555 13 HD12 ILE 2 2HD1 ILE 2 -19.000 -7.560 3.663 14 HD13 ILE 2 3HD1 ILE 2 -20.524 -8.472 3.544 15 H GLY 3 HN GLY 3 -21.570 -4.403 -1.152 16 HA2 GLY 3 1HA GLY 3 -18.886 -4.816 -2.328 17 HA3 GLY 3 2HA GLY 3 -20.399 -5.249 -3.098 18 H ALA 4 HN ALA 4 -22.069 -3.246 -3.149 19 HA ALA 4 HA ALA 4 -20.897 -1.344 -4.833 20 HB1 ALA 4 1HB ALA 4 -23.557 -1.411 -3.357 21 HB2 ALA 4 2HB ALA 4 -23.145 -0.248 -4.639 22 HB3 ALA 4 3HB ALA 4 -23.235 -1.986 -5.010 23 H PHE 5 HN PHE 5 -22.091 -1.126 -1.410 24 HA PHE 5 HA PHE 5 -21.241 1.544 -1.108 25 HB2 PHE 5 2HB PHE 5 -21.626 -0.677 0.983 26 HB3 PHE 5 3HB PHE 5 -21.779 1.044 1.276 27 HD1 PHE 5 1HD PHE 5 -23.640 -1.775 1.045 28 HD2 PHE 5 2HD PHE 5 -23.516 2.122 -0.632 29 HE1 PHE 5 1HE PHE 5 -26.098 -1.909 0.551 30 HE2 PHE 5 2HE PHE 5 -25.973 1.988 -1.127 31 HZ PHE 5 HZ PHE 5 -27.234 -0.027 -0.530 32 H GLY 6 HN GLY 6 -19.540 -1.479 -1.169 33 HA2 GLY 6 1HA GLY 6 -17.397 -0.617 0.586 34 HA3 GLY 6 2HA GLY 6 -17.518 -2.122 -0.304 35 H LEU 7 HN LEU 7 -18.283 -0.465 -2.830 36 HA LEU 7 HA LEU 7 -15.635 -0.300 -3.826 37 HB2 LEU 7 2HB LEU 7 -18.267 -0.458 -4.842 38 HB3 LEU 7 3HB LEU 7 -17.571 1.009 -5.496 39 HG LEU 7 HG LEU 7 -15.528 -0.773 -5.904 40 HD11 LEU 7 1HD1 LEU 7 -17.971 -2.352 -6.671 41 HD12 LEU 7 2HD1 LEU 7 -16.273 -2.875 -6.550 42 HD13 LEU 7 3HD1 LEU 7 -17.215 -2.553 -5.073 43 HD21 LEU 7 1HD2 LEU 7 -15.842 0.351 -7.805 44 HD22 LEU 7 2HD2 LEU 7 -16.982 -0.943 -8.248 45 HD23 LEU 7 3HD2 LEU 7 -17.584 0.555 -7.499 46 H LEU 8 HN LEU 8 -17.491 1.766 -1.863 47 HA LEU 8 HA LEU 8 -16.638 4.241 -2.985 48 HB2 LEU 8 2HB LEU 8 -17.866 3.483 -0.335 49 HB3 LEU 8 3HB LEU 8 -17.485 5.131 -0.790 50 HG LEU 8 HG LEU 8 -19.564 3.287 -1.951 51 HD11 LEU 8 1HD1 LEU 8 -20.542 4.486 -0.247 52 HD12 LEU 8 2HD1 LEU 8 -19.538 5.928 -0.531 53 HD13 LEU 8 3HD1 LEU 8 -20.870 5.538 -1.645 54 HD21 LEU 8 1HD2 LEU 8 -18.547 4.087 -3.927 55 HD22 LEU 8 2HD2 LEU 8 -19.974 5.115 -3.663 56 HD23 LEU 8 3HD2 LEU 8 -18.351 5.726 -3.262 57 H GLY 9 HN GLY 9 -15.153 1.752 -1.094 58 HA2 GLY 9 1HA GLY 9 -12.771 3.400 -0.804 59 HA3 GLY 9 2HA GLY 9 -13.500 2.834 0.686 60 H PHE 10 HN PHE 10 -13.454 1.111 -2.486 61 HA PHE 10 HA PHE 10 -12.481 -1.239 -1.201 62 HB2 PHE 10 2HB PHE 10 -14.085 -1.324 -3.079 63 HB3 PHE 10 3HB PHE 10 -13.052 -0.318 -4.074 64 HD1 PHE 10 1HD PHE 10 -11.545 -2.980 -2.090 65 HD2 PHE 10 2HD PHE 10 -13.162 -1.964 -5.880 66 HE1 PHE 10 1HE PHE 10 -10.503 -5.034 -3.085 67 HE2 PHE 10 2HE PHE 10 -12.121 -4.019 -6.875 68 HZ PHE 10 HZ PHE 10 -10.803 -5.530 -5.466 69 H LEU 11 HN LEU 11 -11.177 1.106 -3.642 70 HA LEU 11 HA LEU 11 -8.701 -0.227 -3.877 71 HB2 LEU 11 2HB LEU 11 -9.716 2.503 -4.625 72 HB3 LEU 11 3HB LEU 11 -8.036 2.059 -4.853 73 HG LEU 11 HG LEU 11 -8.579 0.371 -6.435 74 HD11 LEU 11 1HD1 LEU 11 -10.863 -0.297 -7.002 75 HD12 LEU 11 2HD1 LEU 11 -10.500 -0.613 -5.288 76 HD13 LEU 11 3HD1 LEU 11 -11.500 0.788 -5.742 77 HD21 LEU 11 1HD2 LEU 11 -8.539 2.342 -7.619 78 HD22 LEU 11 2HD2 LEU 11 -10.153 1.720 -8.039 79 HD23 LEU 11 3HD2 LEU 11 -9.982 2.993 -6.807 80 H ALA 12 HN ALA 12 -9.889 2.542 -1.890 81 HA ALA 12 HA ALA 12 -7.434 3.222 -0.779 82 HB1 ALA 12 1HB ALA 12 -10.316 3.665 -0.236 83 HB2 ALA 12 2HB ALA 12 -9.249 3.826 1.180 84 HB3 ALA 12 3HB ALA 12 -8.965 4.824 -0.266 85 H ALA 13 HN ALA 13 -9.682 0.549 -0.144 86 HA ALA 13 HA ALA 13 -8.736 -0.109 2.416 87 HB1 ALA 13 1HB ALA 13 -10.883 -0.862 1.339 88 HB2 ALA 13 2HB ALA 13 -9.923 -1.937 0.293 89 HB3 ALA 13 3HB ALA 13 -9.933 -2.186 2.055 90 H GLY 14 HN GLY 14 -7.762 -1.080 -0.920 91 HA2 GLY 14 1HA GLY 14 -5.985 -3.096 -0.360 92 HA3 GLY 14 2HA GLY 14 -5.838 -1.959 -1.686 93 H SER 15 HN SER 15 -5.606 0.451 0.051 94 HA SER 15 HA SER 15 -2.810 0.185 0.534 95 HB2 SER 15 2HB SER 15 -4.718 2.538 0.899 96 HB3 SER 15 3HB SER 15 -2.979 2.641 1.090 97 HG SER 15 HG SER 15 -3.864 3.265 -1.070 98 H LYS 16 HN LYS 16 -5.850 0.544 2.410 99 HA LYS 16 HA LYS 16 -4.704 1.096 4.885 100 HB2 LYS 16 2HB LYS 16 -7.312 -0.203 4.072 101 HB3 LYS 16 3HB LYS 16 -6.899 0.118 5.745 102 HG2 LYS 16 2HG LYS 16 -6.362 2.483 4.120 103 HG3 LYS 16 3HG LYS 16 -8.007 1.941 3.854 104 HD2 LYS 16 2HD LYS 16 -8.617 2.222 6.119 105 HD3 LYS 16 3HD LYS 16 -6.967 2.084 6.692 106 HE2 LYS 16 2HE LYS 16 -8.066 4.456 6.667 107 HE3 LYS 16 3HE LYS 16 -6.421 4.305 6.081 108 HZ1 LYS 16 1HZ LYS 16 -8.809 4.268 4.313 109 HZ2 LYS 16 2HZ LYS 16 -7.869 5.576 4.553 110 H LYS 17 HN LYS 17 -4.894 -1.857 2.968 111 HA LYS 17 HA LYS 17 -4.057 -3.427 5.284 112 HB2 LYS 17 2HB LYS 17 -5.419 -4.006 2.709 113 HB3 LYS 17 3HB LYS 17 -4.291 -5.224 3.268 114 HG2 LYS 17 2HG LYS 17 -6.288 -4.051 5.221 115 HG3 LYS 17 3HG LYS 17 -6.823 -5.267 4.079 116 HD2 LYS 17 2HD LYS 17 -4.391 -5.667 5.876 117 HD3 LYS 17 3HD LYS 17 -6.008 -6.130 6.366 118 HE2 LYS 17 2HE LYS 17 -6.206 -7.683 4.474 119 HE3 LYS 17 3HE LYS 17 -4.693 -7.120 3.793 120 HZ1 LYS 17 1HZ LYS 17 -3.579 -8.512 5.143 121 HZ2 LYS 17 2HZ LYS 17 -4.318 -7.964 6.487 122 H21 ACA 18 1HA ACA 18 -0.135 -0.109 -1.054 123 H22 ACA 18 2HA ACA 18 0.699 1.034 -0.021 124 H31 ACA 18 2HB ACA 18 0.804 -0.737 1.438 125 H32 ACA 18 3HB ACA 18 2.199 -1.197 0.482 126 H41 ACA 18 2HG ACA 18 0.989 -3.186 0.398 127 H42 ACA 18 3HG ACA 18 0.386 -2.407 -1.052 128 H51 ACA 18 2HD ACA 18 -1.683 -2.775 -0.155 129 H52 ACA 18 3HD ACA 18 -1.340 -1.371 0.836 130 H61 ACA 18 2HE ACA 18 -0.856 -4.250 1.469 131 H62 ACA 18 3HE ACA 18 -0.004 -2.871 2.891 132 HN61 ACA 18 HN ACA 18 -3.137 -3.087 1.779 133 H LYS 19 HN LYS 19 1.315 -1.337 -2.788 134 HA LYS 19 HA LYS 19 3.833 -1.399 -1.358 135 HB2 LYS 19 2HB LYS 19 2.555 -3.456 -1.529 136 HB3 LYS 19 3HB LYS 19 2.515 -3.341 -3.277 137 HG2 LYS 19 2HG LYS 19 4.982 -3.547 -3.383 138 HG3 LYS 19 3HG LYS 19 5.083 -3.553 -1.633 139 HD2 LYS 19 2HD LYS 19 5.137 -5.847 -2.070 140 HD3 LYS 19 3HD LYS 19 3.420 -5.614 -1.810 141 HE2 LYS 19 2HE LYS 19 3.144 -5.315 -4.323 142 HE3 LYS 19 3HE LYS 19 4.837 -5.724 -4.514 143 HZ1 LYS 19 1HZ LYS 19 3.284 -7.652 -4.738 144 HZ2 LYS 19 2HZ LYS 19 4.421 -7.893 -3.597 145 H ASN 20 HN ASN 20 3.655 -2.581 -4.675 146 HA ASN 20 HA ASN 20 5.965 -1.512 -5.474 147 HB2 ASN 20 2HB ASN 20 3.708 -2.781 -6.714 148 HB3 ASN 20 3HB ASN 20 4.078 -1.381 -7.702 149 HD21 ASN 20 1HD2 ASN 20 4.408 -4.302 -8.118 150 HD22 ASN 20 2HD2 ASN 20 6.063 -4.551 -8.562 151 H GLU 21 HN GLU 21 6.553 0.419 -6.769 152 HA GLU 21 HA GLU 21 5.217 2.723 -5.900 153 HB2 GLU 21 2HB GLU 21 6.848 3.909 -7.385 154 HB3 GLU 21 3HB GLU 21 7.616 2.755 -6.312 155 HG2 GLU 21 2HG GLU 21 6.856 1.386 -8.755 156 HG3 GLU 21 3HG GLU 21 7.728 2.846 -9.180 157 HE2 GLU 21 2HE GLU 21 10.064 0.773 -9.298 158 H GLN 22 HN GLN 22 4.967 0.640 -8.747 159 HA GLN 22 HA GLN 22 4.015 2.256 -10.646 160 HB2 GLN 22 2HB GLN 22 3.365 -0.565 -9.827 161 HB3 GLN 22 3HB GLN 22 2.363 0.170 -11.063 162 HG2 GLN 22 2HG GLN 22 4.051 0.171 -12.627 163 HG3 GLN 22 3HG GLN 22 5.279 0.609 -11.456 164 HE21 GLN 22 1HE2 GLN 22 3.759 -1.888 -13.205 165 HE22 GLN 22 2HE2 GLN 22 4.632 -3.247 -12.580 166 H GLU 23 HN GLU 23 2.199 0.991 -7.795 167 HA GLU 23 HA GLU 23 -0.274 1.949 -8.562 168 HB2 GLU 23 2HB GLU 23 0.078 0.308 -6.743 169 HB3 GLU 23 3HB GLU 23 0.871 1.528 -5.766 170 HG2 GLU 23 2HG GLU 23 -1.708 2.539 -6.668 171 HG3 GLU 23 3HG GLU 23 -1.927 0.967 -5.923 172 HE2 GLU 23 2HE GLU 23 -2.381 3.102 -3.365 173 H LEU 24 HN LEU 24 2.422 3.473 -6.714 174 HA LEU 24 HA LEU 24 1.096 5.757 -5.903 175 HB2 LEU 24 2HB LEU 24 3.739 4.728 -5.937 176 HB3 LEU 24 3HB LEU 24 3.810 6.352 -6.589 177 HG LEU 24 HG LEU 24 4.201 6.559 -4.275 178 HD11 LEU 24 1HD1 LEU 24 2.929 8.373 -4.246 179 HD12 LEU 24 2HD1 LEU 24 1.812 7.653 -5.431 180 HD13 LEU 24 3HD1 LEU 24 1.561 7.379 -3.691 181 HD21 LEU 24 1HD2 LEU 24 3.522 4.419 -3.465 182 HD22 LEU 24 2HD2 LEU 24 2.617 5.652 -2.555 183 HD23 LEU 24 3HD2 LEU 24 1.817 4.742 -3.859 184 H LEU 25 HN LEU 25 3.076 5.220 -8.903 185 HA LEU 25 HA LEU 25 2.562 7.728 -9.989 186 HB2 LEU 25 2HB LEU 25 3.192 5.106 -11.351 187 HB3 LEU 25 3HB LEU 25 3.259 6.682 -12.115 188 HG LEU 25 HG LEU 25 5.439 6.581 -11.596 189 HD11 LEU 25 1HD1 LEU 25 4.293 7.299 -8.887 190 HD12 LEU 25 2HD1 LEU 25 6.012 7.461 -9.322 191 HD13 LEU 25 3HD1 LEU 25 4.780 8.402 -10.196 192 HD21 LEU 25 1HD2 LEU 25 6.262 4.695 -10.774 193 HD22 LEU 25 2HD2 LEU 25 5.687 5.117 -9.144 194 HD23 LEU 25 3HD2 LEU 25 4.626 4.223 -10.258 195 H GLU 26 HN GLU 26 0.611 4.785 -9.780 196 HA GLU 26 HA GLU 26 -1.104 5.324 -11.883 197 HB2 GLU 26 2HB GLU 26 -0.833 3.364 -9.875 198 HB3 GLU 26 3HB GLU 26 -2.426 4.039 -9.601 199 HG2 GLU 26 2HG GLU 26 -3.013 3.663 -11.995 200 HG3 GLU 26 3HG GLU 26 -1.409 3.024 -12.299 201 HE2 GLU 26 2HE GLU 26 -3.659 0.222 -11.605 202 H LEU 27 HN LEU 27 -1.179 6.291 -8.403 203 HA LEU 27 HA LEU 27 -3.660 7.693 -8.753 204 HB2 LEU 27 2HB LEU 27 -1.707 7.466 -6.463 205 HB3 LEU 27 3HB LEU 27 -3.177 8.419 -6.394 206 HG LEU 27 HG LEU 27 -2.939 5.814 -5.607 207 HD11 LEU 27 1HD1 LEU 27 -5.382 5.800 -5.475 208 HD12 LEU 27 2HD1 LEU 27 -4.712 7.371 -4.974 209 HD13 LEU 27 3HD1 LEU 27 -5.456 7.193 -6.580 210 HD21 LEU 27 1HD2 LEU 27 -4.265 4.461 -7.220 211 HD22 LEU 27 2HD2 LEU 27 -4.104 5.782 -8.404 212 HD23 LEU 27 3HD2 LEU 27 -2.655 4.924 -7.823 213 H ASP 28 HN ASP 28 -0.197 8.342 -8.989 214 HA ASP 28 HA ASP 28 -0.277 11.068 -8.573 215 HB2 ASP 28 2HB ASP 28 1.771 9.561 -8.790 216 HB3 ASP 28 3HB ASP 28 1.513 9.547 -10.524 217 HD2 ASP 28 2HD ASP 28 3.736 10.297 -9.831 218 H LYS 29 HN LYS 29 -1.448 9.031 -11.166 219 HA LYS 29 HA LYS 29 -1.293 11.031 -13.213 220 HB2 LYS 29 2HB LYS 29 -2.576 8.297 -13.039 221 HB3 LYS 29 3HB LYS 29 -2.735 9.327 -14.446 222 HG2 LYS 29 2HG LYS 29 0.027 8.818 -13.322 223 HG3 LYS 29 3HG LYS 29 -0.743 7.559 -14.267 224 HD2 LYS 29 2HD LYS 29 -1.228 9.684 -15.906 225 HD3 LYS 29 3HD LYS 29 0.238 10.259 -15.136 226 HE2 LYS 29 2HE LYS 29 1.212 9.053 -16.858 227 HE3 LYS 29 3HE LYS 29 1.086 7.760 -15.682 228 HZ1 LYS 29 1HZ LYS 29 -0.673 6.814 -16.813 229 HZ2 LYS 29 2HZ LYS 29 -1.216 8.215 -17.443 230 H TRP 30 HN TRP 30 -3.045 10.859 -10.409 231 HA TRP 30 HA TRP 30 -5.661 11.140 -10.920 232 HB2 TRP 30 2HB TRP 30 -3.803 12.417 -8.981 233 HB3 TRP 30 3HB TRP 30 -5.412 13.097 -9.120 234 HD1 TRP 30 1HD TRP 30 -3.842 10.868 -6.879 235 HE1 TRP 30 1HE TRP 30 -5.370 8.989 -5.833 236 HE3 TRP 30 3HE TRP 30 -7.559 11.238 -10.329 237 HZ2 TRP 30 2HZ TRP 30 -7.905 7.893 -6.549 238 HZ3 TRP 30 3HZ TRP 30 -9.526 9.727 -10.082 239 HH2 TRP 30 2HH TRP 30 -9.735 8.096 -8.273 240 H ALA 31 HN ALA 31 -3.164 13.774 -11.179 241 HA ALA 31 HA ALA 31 -4.924 15.692 -12.192 242 HB1 ALA 31 1HB ALA 31 -2.060 15.738 -13.027 243 HB2 ALA 31 2HB ALA 31 -3.050 17.004 -12.263 244 HB3 ALA 31 3HB ALA 31 -2.378 15.684 -11.277 245 H SER 32 HN SER 32 -2.672 13.372 -13.834 246 HA SER 32 HA SER 32 -2.977 14.155 -16.372 247 HB2 SER 32 2HB SER 32 -3.049 11.238 -15.486 248 HB3 SER 32 3HB SER 32 -2.475 11.847 -17.025 249 HG SER 32 HG SER 32 -0.789 13.020 -15.837 250 H LEU 33 HN LEU 33 -5.397 12.694 -14.261 251 HA LEU 33 HA LEU 33 -7.118 11.602 -16.130 252 HB2 LEU 33 2HB LEU 33 -7.065 11.662 -13.497 253 HB3 LEU 33 3HB LEU 33 -8.153 13.020 -13.711 254 HG LEU 33 HG LEU 33 -9.698 11.581 -14.998 255 HD11 LEU 33 1HD1 LEU 33 -9.032 9.663 -15.884 256 HD12 LEU 33 2HD1 LEU 33 -7.446 9.830 -15.094 257 HD13 LEU 33 3HD1 LEU 33 -8.775 8.993 -14.254 258 HD21 LEU 33 1HD2 LEU 33 -9.563 9.903 -12.653 259 HD22 LEU 33 2HD2 LEU 33 -9.234 11.600 -12.227 260 HD23 LEU 33 3HD2 LEU 33 -10.736 11.170 -13.081 261 H TRP 34 HN TRP 34 -7.278 14.918 -14.636 262 HA TRP 34 HA TRP 34 -9.006 15.723 -16.835 263 HB2 TRP 34 2HB TRP 34 -9.344 17.756 -15.521 264 HB3 TRP 34 3HB TRP 34 -9.756 16.303 -14.633 265 HD1 TRP 34 1HD TRP 34 -7.284 19.223 -14.560 266 HE1 TRP 34 1HE TRP 34 -5.911 19.279 -12.307 267 HE3 TRP 34 3HE TRP 34 -8.865 14.696 -12.870 268 HZ2 TRP 34 2HZ TRP 34 -5.645 17.465 -10.121 269 HZ3 TRP 34 3HZ TRP 34 -8.000 13.912 -10.667 270 HH2 TRP 34 2HH TRP 34 -6.445 15.216 -9.306 271 H ASN 35 HN ASN 35 -6.007 16.871 -15.112 272 HA ASN 35 HA ASN 35 -4.400 18.196 -15.778 273 HB2 ASN 35 2HB ASN 35 -3.953 15.898 -16.930 274 HB3 ASN 35 3HB ASN 35 -4.492 16.654 -18.415 275 HD21 ASN 35 1HD2 ASN 35 -2.350 17.312 -15.645 276 HD22 ASN 35 2HD2 ASN 35 -1.028 17.981 -16.543 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -28.099 -6.307 -5.418 2 HA2 GLY 1 1HA GLY 1 -27.540 -4.986 -3.571 3 HA3 GLY 1 2HA GLY 1 -26.071 -5.871 -3.932 4 H ILE 2 HN ILE 2 -26.389 -3.198 -2.646 5 HA ILE 2 HA ILE 2 -25.659 -1.230 -4.553 6 HB ILE 2 HB ILE 2 -25.550 -1.324 -1.540 7 HG12 ILE 2 2HG1 ILE 2 -27.457 0.194 -3.332 8 HG13 ILE 2 3HG1 ILE 2 -27.790 -1.426 -2.752 9 HG21 ILE 2 1HG2 ILE 2 -24.079 0.367 -1.761 10 HG22 ILE 2 2HG2 ILE 2 -24.532 0.690 -3.452 11 HG23 ILE 2 3HG2 ILE 2 -25.539 1.318 -2.125 12 HD11 ILE 2 1HD1 ILE 2 -26.996 -0.119 -0.422 13 HD12 ILE 2 2HD1 ILE 2 -27.893 1.143 -1.302 14 HD13 ILE 2 3HD1 ILE 2 -28.680 -0.408 -0.921 15 H GLY 3 HN GLY 3 -23.645 -1.944 -1.671 16 HA2 GLY 3 1HA GLY 3 -21.361 -2.417 -3.489 17 HA3 GLY 3 2HA GLY 3 -21.264 -1.306 -2.138 18 H ALA 4 HN ALA 4 -20.577 -4.440 -3.117 19 HA ALA 4 HA ALA 4 -21.323 -6.127 -1.132 20 HB1 ALA 4 1HB ALA 4 -20.057 -6.771 -3.139 21 HB2 ALA 4 2HB ALA 4 -18.618 -5.925 -2.519 22 HB3 ALA 4 3HB ALA 4 -19.241 -7.361 -1.671 23 H PHE 5 HN PHE 5 -18.001 -4.675 -1.105 24 HA PHE 5 HA PHE 5 -18.141 -4.729 1.803 25 HB2 PHE 5 2HB PHE 5 -15.742 -3.873 0.146 26 HB3 PHE 5 3HB PHE 5 -15.756 -4.810 1.626 27 HD1 PHE 5 1HD PHE 5 -16.735 -7.215 1.458 28 HD2 PHE 5 2HD PHE 5 -15.458 -4.948 -1.896 29 HE1 PHE 5 1HE PHE 5 -16.492 -9.325 0.123 30 HE2 PHE 5 2HE PHE 5 -15.216 -7.060 -3.230 31 HZ PHE 5 HZ PHE 5 -15.737 -9.223 -2.206 32 H GLY 6 HN GLY 6 -16.873 -2.488 -0.775 33 HA2 GLY 6 1HA GLY 6 -18.285 -0.239 0.132 34 HA3 GLY 6 2HA GLY 6 -16.711 -0.244 0.900 35 H LEU 7 HN LEU 7 -18.435 -0.204 -2.240 36 HA LEU 7 HA LEU 7 -16.136 -0.041 -3.847 37 HB2 LEU 7 2HB LEU 7 -18.564 -0.628 -4.443 38 HB3 LEU 7 3HB LEU 7 -18.837 1.101 -4.522 39 HG LEU 7 HG LEU 7 -16.495 0.398 -6.071 40 HD11 LEU 7 1HD1 LEU 7 -17.126 -1.660 -6.742 41 HD12 LEU 7 2HD1 LEU 7 -18.836 -1.397 -6.320 42 HD13 LEU 7 3HD1 LEU 7 -18.184 -0.745 -7.843 43 HD21 LEU 7 1HD2 LEU 7 -17.757 1.541 -7.861 44 HD22 LEU 7 2HD2 LEU 7 -19.186 1.588 -6.799 45 HD23 LEU 7 3HD2 LEU 7 -17.710 2.474 -6.345 46 H LEU 8 HN LEU 8 -17.552 2.150 -1.597 47 HA LEU 8 HA LEU 8 -16.843 4.554 -2.933 48 HB2 LEU 8 2HB LEU 8 -18.077 3.723 -0.432 49 HB3 LEU 8 3HB LEU 8 -16.987 5.076 -0.206 50 HG LEU 8 HG LEU 8 -18.204 6.303 -2.019 51 HD11 LEU 8 1HD1 LEU 8 -20.127 3.967 -1.835 52 HD12 LEU 8 2HD1 LEU 8 -20.433 5.498 -2.690 53 HD13 LEU 8 3HD1 LEU 8 -19.129 4.420 -3.238 54 HD21 LEU 8 1HD2 LEU 8 -19.517 7.249 -0.472 55 HD22 LEU 8 2HD2 LEU 8 -20.370 5.728 -0.116 56 HD23 LEU 8 3HD2 LEU 8 -18.795 6.065 0.643 57 H GLY 9 HN GLY 9 -15.035 2.044 -1.486 58 HA2 GLY 9 1HA GLY 9 -12.614 3.602 -1.689 59 HA3 GLY 9 2HA GLY 9 -13.035 3.161 -0.046 60 H PHE 10 HN PHE 10 -13.675 1.279 -3.063 61 HA PHE 10 HA PHE 10 -12.937 -1.140 -1.990 62 HB2 PHE 10 2HB PHE 10 -14.041 -0.202 -4.309 63 HB3 PHE 10 3HB PHE 10 -12.413 -0.454 -4.904 64 HD1 PHE 10 1HD PHE 10 -11.435 -2.746 -4.883 65 HD2 PHE 10 2HD PHE 10 -15.503 -2.041 -3.904 66 HE1 PHE 10 1HE PHE 10 -11.944 -5.177 -5.247 67 HE2 PHE 10 2HE PHE 10 -16.013 -4.471 -4.269 68 HZ PHE 10 HZ PHE 10 -14.227 -6.011 -4.936 69 H LEU 11 HN LEU 11 -10.954 1.336 -3.690 70 HA LEU 11 HA LEU 11 -8.656 -0.359 -3.780 71 HB2 LEU 11 2HB LEU 11 -8.791 2.631 -4.152 72 HB3 LEU 11 3HB LEU 11 -7.542 1.536 -4.711 73 HG LEU 11 HG LEU 11 -10.269 2.048 -5.824 74 HD11 LEU 11 1HD1 LEU 11 -7.520 1.643 -7.031 75 HD12 LEU 11 2HD1 LEU 11 -9.010 1.933 -7.962 76 HD13 LEU 11 3HD1 LEU 11 -8.404 3.177 -6.843 77 HD21 LEU 11 1HD2 LEU 11 -8.821 -0.599 -5.996 78 HD22 LEU 11 2HD2 LEU 11 -10.500 -0.281 -5.495 79 HD23 LEU 11 3HD2 LEU 11 -10.023 -0.069 -7.197 80 H ALA 12 HN ALA 12 -9.921 2.265 -1.672 81 HA ALA 12 HA ALA 12 -7.703 2.755 -0.152 82 HB1 ALA 12 1HB ALA 12 -10.240 2.540 1.356 83 HB2 ALA 12 2HB ALA 12 -9.175 3.944 1.102 84 HB3 ALA 12 3HB ALA 12 -10.355 3.485 -0.149 85 H ALA 13 HN ALA 13 -9.762 -0.122 -0.278 86 HA ALA 13 HA ALA 13 -9.204 -1.221 2.197 87 HB1 ALA 13 1HB ALA 13 -10.865 -1.985 0.434 88 HB2 ALA 13 2HB ALA 13 -9.496 -2.731 -0.425 89 HB3 ALA 13 3HB ALA 13 -9.931 -3.288 1.208 90 H GLY 14 HN GLY 14 -7.348 -1.302 -0.898 91 HA2 GLY 14 1HA GLY 14 -5.326 -3.051 0.084 92 HA3 GLY 14 2HA GLY 14 -5.278 -2.069 -1.367 93 H SER 15 HN SER 15 -5.756 0.527 -0.120 94 HA SER 15 HA SER 15 -3.090 0.957 0.793 95 HB2 SER 15 2HB SER 15 -3.901 2.628 -0.686 96 HB3 SER 15 3HB SER 15 -5.451 2.734 0.125 97 HG SER 15 HG SER 15 -2.958 3.917 0.809 98 H LYS 16 HN LYS 16 -5.659 -0.319 2.334 99 HA LYS 16 HA LYS 16 -6.177 1.264 4.531 100 HB2 LYS 16 2HB LYS 16 -7.112 -0.669 5.508 101 HB3 LYS 16 3HB LYS 16 -7.352 -0.849 3.783 102 HG2 LYS 16 2HG LYS 16 -6.449 -2.931 4.143 103 HG3 LYS 16 3HG LYS 16 -4.928 -2.074 4.003 104 HD2 LYS 16 2HD LYS 16 -4.443 -2.858 6.082 105 HD3 LYS 16 3HD LYS 16 -5.590 -1.679 6.687 106 HE2 LYS 16 2HE LYS 16 -6.041 -4.629 6.125 107 HE3 LYS 16 3HE LYS 16 -6.326 -3.750 7.615 108 HZ1 LYS 16 1HZ LYS 16 -8.347 -4.284 6.162 109 HZ2 LYS 16 2HZ LYS 16 -8.248 -2.757 6.716 110 H LYS 17 HN LYS 17 -3.250 -0.367 3.581 111 HA LYS 17 HA LYS 17 -2.209 -0.079 6.307 112 HB2 LYS 17 2HB LYS 17 -1.957 -2.133 4.310 113 HB3 LYS 17 3HB LYS 17 -0.373 -1.460 4.634 114 HG2 LYS 17 2HG LYS 17 -1.128 -1.653 7.182 115 HG3 LYS 17 3HG LYS 17 -2.286 -2.809 6.554 116 HD2 LYS 17 2HD LYS 17 -0.636 -4.339 5.911 117 HD3 LYS 17 3HD LYS 17 0.573 -3.097 5.653 118 HE2 LYS 17 2HE LYS 17 1.329 -3.232 7.802 119 HE3 LYS 17 3HE LYS 17 -0.292 -3.190 8.465 120 HZ1 LYS 17 1HZ LYS 17 0.443 -5.670 7.130 121 HZ2 LYS 17 2HZ LYS 17 1.232 -5.374 8.524 122 H21 ACA 18 1HA ACA 18 4.223 1.338 2.665 123 H22 ACA 18 2HA ACA 18 4.942 0.562 1.269 124 H31 ACA 18 2HB ACA 18 2.883 0.940 0.319 125 H32 ACA 18 3HB ACA 18 3.542 2.531 -0.003 126 H41 ACA 18 2HG ACA 18 1.561 3.130 1.066 127 H42 ACA 18 3HG ACA 18 2.641 3.083 2.444 128 H51 ACA 18 2HD ACA 18 1.883 0.860 3.077 129 H52 ACA 18 3HD ACA 18 1.017 0.656 1.567 130 H61 ACA 18 2HE ACA 18 0.469 2.618 3.753 131 H62 ACA 18 3HE ACA 18 -0.726 2.887 1.977 132 HN61 ACA 18 HN ACA 18 -1.103 0.278 2.859 133 H LYS 19 HN LYS 19 7.131 1.433 0.999 134 HA LYS 19 HA LYS 19 7.060 2.908 3.496 135 HB2 LYS 19 2HB LYS 19 9.223 1.152 2.298 136 HB3 LYS 19 3HB LYS 19 9.226 1.832 3.912 137 HG2 LYS 19 2HG LYS 19 7.039 0.614 4.363 138 HG3 LYS 19 3HG LYS 19 7.189 -0.151 2.794 139 HD2 LYS 19 2HD LYS 19 9.547 -0.321 4.669 140 HD3 LYS 19 3HD LYS 19 8.144 -1.307 5.031 141 HE2 LYS 19 2HE LYS 19 9.322 -1.293 2.230 142 HE3 LYS 19 3HE LYS 19 10.028 -2.295 3.482 143 HZ1 LYS 19 1HZ LYS 19 7.158 -2.396 2.723 144 HZ2 LYS 19 2HZ LYS 19 8.278 -3.450 2.191 145 H ASN 20 HN ASN 20 9.698 2.622 1.040 146 HA ASN 20 HA ASN 20 9.804 5.536 1.111 147 HB2 ASN 20 2HB ASN 20 12.133 3.589 0.691 148 HB3 ASN 20 3HB ASN 20 12.266 5.334 0.774 149 HD21 ASN 20 1HD2 ASN 20 12.721 2.594 2.448 150 HD22 ASN 20 2HD2 ASN 20 12.544 3.139 4.083 151 H GLU 21 HN GLU 21 11.513 6.072 -0.990 152 HA GLU 21 HA GLU 21 9.932 5.317 -3.215 153 HB2 GLU 21 2HB GLU 21 11.226 6.908 -4.444 154 HB3 GLU 21 3HB GLU 21 11.048 7.584 -2.837 155 HG2 GLU 21 2HG GLU 21 13.362 6.102 -2.530 156 HG3 GLU 21 3HG GLU 21 13.496 6.582 -4.210 157 HE2 GLU 21 2HE GLU 21 14.753 9.094 -3.908 158 H GLN 22 HN GLN 22 12.986 4.281 -1.744 159 HA GLN 22 HA GLN 22 14.316 3.181 -3.785 160 HB2 GLN 22 2HB GLN 22 14.635 3.139 -1.123 161 HB3 GLN 22 3HB GLN 22 14.001 1.515 -1.294 162 HG2 GLN 22 2HG GLN 22 15.934 1.851 -3.382 163 HG3 GLN 22 3HG GLN 22 16.660 2.503 -1.926 164 HE21 GLN 22 1HE2 GLN 22 17.815 1.109 -0.857 165 HE22 GLN 22 2HE2 GLN 22 17.523 -0.588 -0.673 166 H GLU 23 HN GLU 23 11.601 1.626 -1.943 167 HA GLU 23 HA GLU 23 11.599 -0.768 -3.210 168 HB2 GLU 23 2HB GLU 23 10.149 0.095 -1.246 169 HB3 GLU 23 3HB GLU 23 9.046 0.706 -2.462 170 HG2 GLU 23 2HG GLU 23 9.724 -2.018 -3.159 171 HG3 GLU 23 3HG GLU 23 9.283 -1.986 -1.463 172 HE2 GLU 23 2HE GLU 23 7.340 -0.286 -1.283 173 H LEU 24 HN LEU 24 10.008 2.314 -4.232 174 HA LEU 24 HA LEU 24 8.563 1.433 -6.356 175 HB2 LEU 24 2HB LEU 24 8.869 3.773 -5.316 176 HB3 LEU 24 3HB LEU 24 10.181 3.965 -6.462 177 HG LEU 24 HG LEU 24 8.278 4.984 -7.426 178 HD11 LEU 24 1HD1 LEU 24 8.077 3.886 -9.505 179 HD12 LEU 24 2HD1 LEU 24 9.692 3.464 -8.888 180 HD13 LEU 24 3HD1 LEU 24 8.364 2.285 -8.781 181 HD21 LEU 24 1HD2 LEU 24 6.261 4.420 -6.683 182 HD22 LEU 24 2HD2 LEU 24 6.313 3.043 -7.810 183 HD23 LEU 24 3HD2 LEU 24 6.833 2.831 -6.121 184 H LEU 25 HN LEU 25 12.044 2.480 -6.425 185 HA LEU 25 HA LEU 25 12.489 1.902 -9.080 186 HB2 LEU 25 2HB LEU 25 14.361 1.775 -6.713 187 HB3 LEU 25 3HB LEU 25 14.875 1.705 -8.387 188 HG LEU 25 HG LEU 25 15.109 3.915 -8.268 189 HD11 LEU 25 1HD1 LEU 25 12.083 3.960 -8.095 190 HD12 LEU 25 2HD1 LEU 25 13.129 5.301 -8.621 191 HD13 LEU 25 3HD1 LEU 25 13.047 3.806 -9.583 192 HD21 LEU 25 1HD2 LEU 25 13.248 4.227 -5.916 193 HD22 LEU 25 2HD2 LEU 25 14.905 3.603 -5.732 194 HD23 LEU 25 3HD2 LEU 25 14.637 5.233 -6.394 195 H GLU 26 HN GLU 26 12.457 -0.240 -6.203 196 HA GLU 26 HA GLU 26 13.619 -2.435 -7.343 197 HB2 GLU 26 2HB GLU 26 12.353 -1.811 -4.927 198 HB3 GLU 26 3HB GLU 26 11.349 -3.091 -5.578 199 HG2 GLU 26 2HG GLU 26 13.561 -4.384 -6.022 200 HG3 GLU 26 3HG GLU 26 14.339 -3.186 -5.007 201 HE2 GLU 26 2HE GLU 26 13.913 -5.556 -2.794 202 H LEU 27 HN LEU 27 10.188 -1.317 -7.438 203 HA LEU 27 HA LEU 27 9.378 -3.607 -8.966 204 HB2 LEU 27 2HB LEU 27 7.985 -1.056 -8.150 205 HB3 LEU 27 3HB LEU 27 7.225 -2.316 -9.102 206 HG LEU 27 HG LEU 27 7.134 -2.113 -6.380 207 HD11 LEU 27 1HD1 LEU 27 6.882 -4.649 -8.021 208 HD12 LEU 27 2HD1 LEU 27 6.190 -4.370 -6.405 209 HD13 LEU 27 3HD1 LEU 27 5.623 -3.412 -7.793 210 HD21 LEU 27 1HD2 LEU 27 8.451 -4.026 -5.484 211 HD22 LEU 27 2HD2 LEU 27 9.312 -4.113 -7.039 212 HD23 LEU 27 3HD2 LEU 27 9.449 -2.656 -6.026 213 H ASP 28 HN ASP 28 10.630 -0.356 -9.548 214 HA ASP 28 HA ASP 28 9.646 -0.004 -12.099 215 HB2 ASP 28 2HB ASP 28 10.947 1.622 -10.532 216 HB3 ASP 28 3HB ASP 28 12.404 0.885 -11.165 217 HD2 ASP 28 2HD ASP 28 10.142 2.316 -14.018 218 H LYS 29 HN LYS 29 12.059 -2.161 -10.766 219 HA LYS 29 HA LYS 29 13.564 -2.463 -13.185 220 HB2 LYS 29 2HB LYS 29 13.640 -3.525 -10.414 221 HB3 LYS 29 3HB LYS 29 14.270 -4.588 -11.656 222 HG2 LYS 29 2HG LYS 29 16.099 -3.195 -10.846 223 HG3 LYS 29 3HG LYS 29 15.730 -2.712 -12.489 224 HD2 LYS 29 2HD LYS 29 14.163 -0.918 -11.418 225 HD3 LYS 29 3HD LYS 29 14.982 -1.278 -9.911 226 HE2 LYS 29 2HE LYS 29 16.702 -0.735 -12.327 227 HE3 LYS 29 3HE LYS 29 15.872 0.629 -11.605 228 HZ1 LYS 29 1HZ LYS 29 17.124 0.466 -9.707 229 HZ2 LYS 29 2HZ LYS 29 17.267 -1.155 -9.761 230 H TRP 30 HN TRP 30 10.435 -3.223 -12.410 231 HA TRP 30 HA TRP 30 9.958 -5.819 -12.882 232 HB2 TRP 30 2HB TRP 30 8.540 -3.308 -13.612 233 HB3 TRP 30 3HB TRP 30 7.978 -4.793 -14.353 234 HD1 TRP 30 1HD TRP 30 6.928 -2.832 -11.614 235 HE1 TRP 30 1HE TRP 30 5.848 -4.132 -9.588 236 HE3 TRP 30 3HE TRP 30 8.752 -7.401 -12.896 237 HZ2 TRP 30 2HZ TRP 30 5.878 -6.865 -8.767 238 HZ3 TRP 30 3HZ TRP 30 8.180 -9.334 -11.428 239 HH2 TRP 30 2HH TRP 30 6.795 -9.121 -9.424 240 H ALA 31 HN ALA 31 10.514 -3.271 -15.419 241 HA ALA 31 HA ALA 31 10.474 -5.107 -17.554 242 HB1 ALA 31 1HB ALA 31 10.008 -2.802 -17.982 243 HB2 ALA 31 2HB ALA 31 11.518 -2.277 -17.198 244 HB3 ALA 31 3HB ALA 31 11.576 -3.137 -18.756 245 H SER 32 HN SER 32 13.098 -3.648 -15.546 246 HA SER 32 HA SER 32 15.261 -4.434 -16.896 247 HB2 SER 32 2HB SER 32 14.906 -3.313 -14.502 248 HB3 SER 32 3HB SER 32 15.201 -4.939 -13.920 249 HG SER 32 HG SER 32 17.144 -4.667 -15.613 250 H LEU 33 HN LEU 33 12.910 -6.477 -15.222 251 HA LEU 33 HA LEU 33 14.399 -8.744 -14.761 252 HB2 LEU 33 2HB LEU 33 11.861 -8.018 -14.356 253 HB3 LEU 33 3HB LEU 33 11.615 -9.023 -15.770 254 HG LEU 33 HG LEU 33 12.933 -9.904 -13.186 255 HD11 LEU 33 1HD1 LEU 33 10.858 -11.374 -13.059 256 HD12 LEU 33 2HD1 LEU 33 10.643 -9.642 -12.719 257 HD13 LEU 33 3HD1 LEU 33 10.155 -10.305 -14.297 258 HD21 LEU 33 1HD2 LEU 33 12.281 -11.469 -15.697 259 HD22 LEU 33 2HD2 LEU 33 13.897 -11.101 -15.050 260 HD23 LEU 33 3HD2 LEU 33 12.803 -12.180 -14.152 261 H TRP 34 HN TRP 34 12.404 -7.994 -17.709 262 HA TRP 34 HA TRP 34 13.903 -10.054 -19.125 263 HB2 TRP 34 2HB TRP 34 12.215 -9.755 -20.873 264 HB3 TRP 34 3HB TRP 34 11.522 -10.191 -19.323 265 HD1 TRP 34 1HD TRP 34 11.570 -7.311 -21.848 266 HE1 TRP 34 1HE TRP 34 9.751 -5.487 -21.277 267 HE3 TRP 34 3HE TRP 34 10.326 -9.221 -17.303 268 HZ2 TRP 34 2HZ TRP 34 8.035 -5.058 -19.038 269 HZ3 TRP 34 3HZ TRP 34 8.569 -8.038 -15.988 270 HH2 TRP 34 2HH TRP 34 7.436 -6.025 -16.787 271 H ASN 35 HN ASN 35 12.828 -6.599 -19.562 272 HA ASN 35 HA ASN 35 14.255 -5.973 -21.725 273 HB2 ASN 35 2HB ASN 35 12.726 -4.510 -20.139 274 HB3 ASN 35 3HB ASN 35 14.223 -4.083 -19.335 275 HD21 ASN 35 1HD2 ASN 35 12.703 -4.277 -22.536 276 HD22 ASN 35 2HD2 ASN 35 13.476 -2.895 -23.237 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -25.994 -9.076 -4.449 2 HA2 GLY 1 1HA GLY 1 -25.992 -6.678 -3.181 3 HA3 GLY 1 2HA GLY 1 -24.592 -7.722 -3.311 4 H ILE 2 HN ILE 2 -25.371 -4.603 -3.616 5 HA ILE 2 HA ILE 2 -23.481 -4.219 -5.824 6 HB ILE 2 HB ILE 2 -25.864 -2.434 -5.404 7 HG12 ILE 2 2HG1 ILE 2 -26.729 -3.696 -7.512 8 HG13 ILE 2 3HG1 ILE 2 -25.686 -4.999 -6.974 9 HG21 ILE 2 1HG2 ILE 2 -23.557 -2.101 -6.864 10 HG22 ILE 2 2HG2 ILE 2 -24.697 -2.734 -8.076 11 HG23 ILE 2 3HG2 ILE 2 -25.104 -1.268 -7.152 12 HD11 ILE 2 1HD1 ILE 2 -27.065 -4.105 -4.645 13 HD12 ILE 2 2HD1 ILE 2 -28.279 -4.205 -5.942 14 HD13 ILE 2 3HD1 ILE 2 -27.303 -5.634 -5.525 15 H GLY 3 HN GLY 3 -21.694 -3.255 -5.039 16 HA2 GLY 3 1HA GLY 3 -21.933 -1.706 -2.557 17 HA3 GLY 3 2HA GLY 3 -20.471 -2.386 -3.243 18 H ALA 4 HN ALA 4 -23.110 -0.059 -4.183 19 HA ALA 4 HA ALA 4 -21.816 1.310 -6.129 20 HB1 ALA 4 1HB ALA 4 -23.477 2.674 -3.989 21 HB2 ALA 4 2HB ALA 4 -23.389 3.044 -5.728 22 HB3 ALA 4 3HB ALA 4 -24.196 1.557 -5.174 23 H PHE 5 HN PHE 5 -21.938 2.476 -2.684 24 HA PHE 5 HA PHE 5 -19.508 3.966 -3.198 25 HB2 PHE 5 2HB PHE 5 -20.925 3.753 -0.521 26 HB3 PHE 5 3HB PHE 5 -20.212 5.173 -1.258 27 HD1 PHE 5 1HD PHE 5 -21.425 6.222 -3.247 28 HD2 PHE 5 2HD PHE 5 -23.229 3.350 -0.697 29 HE1 PHE 5 1HE PHE 5 -23.697 6.965 -4.016 30 HE2 PHE 5 2HE PHE 5 -25.500 4.092 -1.465 31 HZ PHE 5 HZ PHE 5 -25.707 5.892 -3.116 32 H GLY 6 HN GLY 6 -20.198 0.815 -2.369 33 HA2 GLY 6 1HA GLY 6 -18.511 0.425 -0.107 34 HA3 GLY 6 2HA GLY 6 -19.158 -0.799 -1.182 35 H LEU 7 HN LEU 7 -18.100 0.231 -3.690 36 HA LEU 7 HA LEU 7 -15.590 -0.981 -3.650 37 HB2 LEU 7 2HB LEU 7 -17.302 0.438 -5.575 38 HB3 LEU 7 3HB LEU 7 -15.588 0.540 -5.921 39 HG LEU 7 HG LEU 7 -16.844 -2.132 -5.344 40 HD11 LEU 7 1HD1 LEU 7 -16.673 -1.651 -8.179 41 HD12 LEU 7 2HD1 LEU 7 -18.058 -2.187 -7.199 42 HD13 LEU 7 3HD1 LEU 7 -17.739 -0.448 -7.414 43 HD21 LEU 7 1HD2 LEU 7 -14.944 -2.323 -7.380 44 HD22 LEU 7 2HD2 LEU 7 -14.267 -1.142 -6.232 45 HD23 LEU 7 3HD2 LEU 7 -14.739 -2.763 -5.668 46 H LEU 8 HN LEU 8 -16.659 2.348 -3.063 47 HA LEU 8 HA LEU 8 -14.205 3.612 -3.496 48 HB2 LEU 8 2HB LEU 8 -16.819 4.255 -2.533 49 HB3 LEU 8 3HB LEU 8 -15.638 4.919 -1.422 50 HG LEU 8 HG LEU 8 -16.287 6.536 -3.135 51 HD11 LEU 8 1HD1 LEU 8 -13.623 5.788 -2.449 52 HD12 LEU 8 2HD1 LEU 8 -13.629 6.342 -4.140 53 HD13 LEU 8 3HD1 LEU 8 -14.265 7.398 -2.855 54 HD21 LEU 8 1HD2 LEU 8 -16.096 6.245 -5.418 55 HD22 LEU 8 2HD2 LEU 8 -14.911 4.926 -5.263 56 HD23 LEU 8 3HD2 LEU 8 -16.625 4.632 -4.882 57 H GLY 9 HN GLY 9 -15.429 1.569 -0.889 58 HA2 GLY 9 1HA GLY 9 -13.317 2.380 0.942 59 HA3 GLY 9 2HA GLY 9 -14.597 1.219 1.229 60 H PHE 10 HN PHE 10 -13.983 -0.058 -1.533 61 HA PHE 10 HA PHE 10 -12.328 -2.087 -0.563 62 HB2 PHE 10 2HB PHE 10 -14.106 -1.823 -2.570 63 HB3 PHE 10 3HB PHE 10 -12.699 -1.359 -3.506 64 HD1 PHE 10 1HD PHE 10 -10.606 -3.090 -2.976 65 HD2 PHE 10 2HD PHE 10 -14.748 -4.006 -2.862 66 HE1 PHE 10 1HE PHE 10 -10.082 -5.510 -3.391 67 HE2 PHE 10 2HE PHE 10 -14.224 -6.426 -3.276 68 HZ PHE 10 HZ PHE 10 -11.897 -7.149 -3.535 69 H LEU 11 HN LEU 11 -11.694 0.747 -2.712 70 HA LEU 11 HA LEU 11 -9.002 -0.024 -3.201 71 HB2 LEU 11 2HB LEU 11 -10.774 2.272 -3.830 72 HB3 LEU 11 3HB LEU 11 -9.049 2.582 -3.837 73 HG LEU 11 HG LEU 11 -10.109 1.978 -6.055 74 HD11 LEU 11 1HD1 LEU 11 -7.673 1.911 -5.609 75 HD12 LEU 11 2HD1 LEU 11 -7.829 0.197 -5.154 76 HD13 LEU 11 3HD1 LEU 11 -8.199 0.714 -6.817 77 HD21 LEU 11 1HD2 LEU 11 -11.013 -0.045 -6.501 78 HD22 LEU 11 2HD2 LEU 11 -9.920 -0.908 -5.393 79 HD23 LEU 11 3HD2 LEU 11 -11.331 -0.034 -4.750 80 H ALA 12 HN ALA 12 -10.643 2.336 -1.005 81 HA ALA 12 HA ALA 12 -8.427 3.510 0.083 82 HB1 ALA 12 1HB ALA 12 -11.197 2.850 1.065 83 HB2 ALA 12 2HB ALA 12 -10.014 3.546 2.199 84 HB3 ALA 12 3HB ALA 12 -10.462 4.435 0.723 85 H ALA 13 HN ALA 13 -9.668 0.219 0.485 86 HA ALA 13 HA ALA 13 -8.049 -0.273 2.818 87 HB1 ALA 13 1HB ALA 13 -9.634 -2.168 1.038 88 HB2 ALA 13 2HB ALA 13 -8.990 -2.524 2.658 89 HB3 ALA 13 3HB ALA 13 -10.284 -1.318 2.460 90 H GLY 14 HN GLY 14 -8.043 -1.029 -0.712 91 HA2 GLY 14 1HA GLY 14 -5.839 -2.734 -0.748 92 HA3 GLY 14 2HA GLY 14 -6.405 -1.738 -2.075 93 H SER 15 HN SER 15 -6.088 0.850 -0.652 94 HA SER 15 HA SER 15 -3.519 1.415 -1.438 95 HB2 SER 15 2HB SER 15 -5.561 2.820 0.289 96 HB3 SER 15 3HB SER 15 -3.947 3.492 0.176 97 HG SER 15 HG SER 15 -4.294 4.103 -1.868 98 H LYS 16 HN LYS 16 -4.683 -0.185 1.401 99 HA LYS 16 HA LYS 16 -2.636 0.654 3.184 100 HB2 LYS 16 2HB LYS 16 -4.475 -1.756 3.280 101 HB3 LYS 16 3HB LYS 16 -3.486 -1.172 4.602 102 HG2 LYS 16 2HG LYS 16 -4.934 1.099 3.651 103 HG3 LYS 16 3HG LYS 16 -6.091 -0.217 3.706 104 HD2 LYS 16 2HD LYS 16 -4.985 -0.678 6.097 105 HD3 LYS 16 3HD LYS 16 -4.490 0.998 5.966 106 HE2 LYS 16 2HE LYS 16 -7.300 0.690 5.188 107 HE3 LYS 16 3HE LYS 16 -7.027 0.026 6.786 108 HZ1 LYS 16 1HZ LYS 16 -6.184 2.752 5.958 109 HZ2 LYS 16 2HZ LYS 16 -7.514 2.428 6.840 110 H LYS 17 HN LYS 17 -3.204 -2.325 1.190 111 HA LYS 17 HA LYS 17 -0.310 -2.792 1.390 112 HB2 LYS 17 2HB LYS 17 -1.221 -4.513 2.680 113 HB3 LYS 17 3HB LYS 17 -2.620 -4.703 1.642 114 HG2 LYS 17 2HG LYS 17 -1.531 -6.144 0.244 115 HG3 LYS 17 3HG LYS 17 -0.098 -5.138 0.176 116 HD2 LYS 17 2HD LYS 17 0.103 -6.059 2.751 117 HD3 LYS 17 3HD LYS 17 -0.742 -7.409 2.019 118 HE2 LYS 17 2HE LYS 17 1.860 -6.195 0.968 119 HE3 LYS 17 3HE LYS 17 1.748 -7.671 1.907 120 HZ1 LYS 17 1HZ LYS 17 1.242 -8.782 0.037 121 HZ2 LYS 17 2HZ LYS 17 -0.028 -7.817 -0.295 122 H21 ACA 18 1HA ACA 18 -0.656 -7.478 -3.470 123 H22 ACA 18 2HA ACA 18 -1.810 -8.794 -3.563 124 H31 ACA 18 2HB ACA 18 -3.403 -7.261 -4.083 125 H32 ACA 18 3HB ACA 18 -2.608 -7.047 -5.631 126 H41 ACA 18 2HG ACA 18 -2.252 -4.889 -5.008 127 H42 ACA 18 3HG ACA 18 -1.022 -5.507 -3.924 128 H51 ACA 18 2HD ACA 18 -2.785 -5.785 -2.136 129 H52 ACA 18 3HD ACA 18 -3.964 -5.075 -3.220 130 H61 ACA 18 2HE ACA 18 -1.487 -3.578 -2.973 131 H62 ACA 18 3HE ACA 18 -3.401 -2.585 -3.036 132 HN61 ACA 18 HN ACA 18 -3.132 -3.990 -0.565 133 H LYS 19 HN LYS 19 -2.290 -9.333 -6.269 134 HA LYS 19 HA LYS 19 0.217 -10.771 -5.740 135 HB2 LYS 19 2HB LYS 19 -1.467 -11.622 -4.254 136 HB3 LYS 19 3HB LYS 19 -2.642 -11.745 -5.546 137 HG2 LYS 19 2HG LYS 19 -0.636 -13.260 -6.622 138 HG3 LYS 19 3HG LYS 19 -0.311 -13.523 -4.920 139 HD2 LYS 19 2HD LYS 19 -2.923 -14.074 -6.397 140 HD3 LYS 19 3HD LYS 19 -1.849 -15.257 -5.678 141 HE2 LYS 19 2HE LYS 19 -2.375 -14.500 -3.427 142 HE3 LYS 19 3HE LYS 19 -3.208 -13.080 -4.029 143 HZ1 LYS 19 1HZ LYS 19 -4.565 -15.056 -5.252 144 HZ2 LYS 19 2HZ LYS 19 -4.173 -15.805 -3.861 145 H ASN 20 HN ASN 20 -2.604 -11.970 -7.561 146 HA ASN 20 HA ASN 20 -1.130 -12.812 -9.675 147 HB2 ASN 20 2HB ASN 20 -3.842 -12.796 -8.950 148 HB3 ASN 20 3HB ASN 20 -3.842 -11.863 -10.434 149 HD21 ASN 20 1HD2 ASN 20 -4.992 -13.506 -11.468 150 HD22 ASN 20 2HD2 ASN 20 -4.241 -14.964 -12.025 151 H GLU 21 HN GLU 21 -0.847 -11.924 -11.884 152 HA GLU 21 HA GLU 21 -0.284 -9.185 -11.862 153 HB2 GLU 21 2HB GLU 21 0.200 -9.566 -14.321 154 HB3 GLU 21 3HB GLU 21 1.057 -10.639 -13.234 155 HG2 GLU 21 2HG GLU 21 -1.411 -11.945 -13.772 156 HG3 GLU 21 3HG GLU 21 -0.893 -11.295 -15.314 157 HE2 GLU 21 2HE GLU 21 0.654 -14.543 -14.012 158 H GLN 22 HN GLN 22 -3.066 -11.147 -12.889 159 HA GLN 22 HA GLN 22 -4.299 -9.572 -14.662 160 HB2 GLN 22 2HB GLN 22 -5.032 -11.686 -12.894 161 HB3 GLN 22 3HB GLN 22 -6.262 -10.452 -12.705 162 HG2 GLN 22 2HG GLN 22 -5.412 -11.066 -15.519 163 HG3 GLN 22 3HG GLN 22 -6.318 -12.316 -14.692 164 HE21 GLN 22 1HE2 GLN 22 -8.434 -12.204 -14.689 165 HE22 GLN 22 2HE2 GLN 22 -9.407 -10.817 -15.054 166 H GLU 23 HN GLU 23 -4.691 -9.300 -11.051 167 HA GLU 23 HA GLU 23 -6.335 -7.174 -10.991 168 HB2 GLU 23 2HB GLU 23 -5.304 -8.586 -9.067 169 HB3 GLU 23 3HB GLU 23 -3.990 -7.426 -9.076 170 HG2 GLU 23 2HG GLU 23 -6.526 -6.001 -9.121 171 HG3 GLU 23 3HG GLU 23 -6.542 -7.166 -7.812 172 HE2 GLU 23 2HE GLU 23 -5.490 -4.020 -8.390 173 H LEU 24 HN LEU 24 -2.781 -7.201 -11.520 174 HA LEU 24 HA LEU 24 -2.355 -4.463 -11.286 175 HB2 LEU 24 2HB LEU 24 -0.894 -6.781 -11.951 176 HB3 LEU 24 3HB LEU 24 -0.665 -5.664 -13.282 177 HG LEU 24 HG LEU 24 1.044 -5.585 -11.410 178 HD11 LEU 24 1HD1 LEU 24 0.776 -3.816 -13.113 179 HD12 LEU 24 2HD1 LEU 24 -0.379 -2.985 -12.043 180 HD13 LEU 24 3HD1 LEU 24 1.317 -3.185 -11.540 181 HD21 LEU 24 1HD2 LEU 24 0.522 -5.067 -9.300 182 HD22 LEU 24 2HD2 LEU 24 -0.593 -3.770 -9.793 183 HD23 LEU 24 3HD2 LEU 24 -1.153 -5.459 -9.759 184 H LEU 25 HN LEU 25 -3.114 -6.491 -14.197 185 HA LEU 25 HA LEU 25 -3.222 -4.250 -15.916 186 HB2 LEU 25 2HB LEU 25 -4.358 -7.033 -16.233 187 HB3 LEU 25 3HB LEU 25 -4.195 -5.843 -17.510 188 HG LEU 25 HG LEU 25 -2.307 -6.994 -17.946 189 HD11 LEU 25 1HD1 LEU 25 -1.453 -4.822 -17.370 190 HD12 LEU 25 2HD1 LEU 25 -1.372 -5.259 -15.646 191 HD13 LEU 25 3HD1 LEU 25 -0.297 -6.058 -16.818 192 HD21 LEU 25 1HD2 LEU 25 -1.304 -7.766 -15.319 193 HD22 LEU 25 2HD2 LEU 25 -2.960 -8.348 -15.618 194 HD23 LEU 25 3HD2 LEU 25 -1.652 -8.759 -16.755 195 H GLU 26 HN GLU 26 -5.244 -5.291 -13.384 196 HA GLU 26 HA GLU 26 -7.711 -4.632 -14.590 197 HB2 GLU 26 2HB GLU 26 -7.181 -6.141 -12.502 198 HB3 GLU 26 3HB GLU 26 -7.210 -4.638 -11.601 199 HG2 GLU 26 2HG GLU 26 -9.515 -4.272 -12.926 200 HG3 GLU 26 3HG GLU 26 -9.463 -6.018 -13.064 201 HE2 GLU 26 2HE GLU 26 -8.790 -3.671 -10.604 202 H LEU 27 HN LEU 27 -5.283 -2.931 -12.560 203 HA LEU 27 HA LEU 27 -6.932 -0.602 -12.301 204 HB2 LEU 27 2HB LEU 27 -4.056 -1.194 -11.605 205 HB3 LEU 27 3HB LEU 27 -4.827 0.351 -11.311 206 HG LEU 27 HG LEU 27 -4.689 -1.714 -9.530 207 HD11 LEU 27 1HD1 LEU 27 -6.303 -0.454 -8.192 208 HD12 LEU 27 2HD1 LEU 27 -5.151 0.628 -9.011 209 HD13 LEU 27 3HD1 LEU 27 -6.808 0.451 -9.639 210 HD21 LEU 27 1HD2 LEU 27 -7.418 -1.863 -10.836 211 HD22 LEU 27 2HD2 LEU 27 -6.199 -3.156 -10.721 212 HD23 LEU 27 3HD2 LEU 27 -7.012 -2.564 -9.251 213 H ASP 28 HN ASP 28 -4.540 -1.889 -14.557 214 HA ASP 28 HA ASP 28 -3.715 0.499 -15.663 215 HB2 ASP 28 2HB ASP 28 -2.440 -1.279 -16.425 216 HB3 ASP 28 3HB ASP 28 -3.807 -2.375 -16.476 217 HD2 ASP 28 2HD ASP 28 -1.669 -1.364 -18.385 218 H LYS 29 HN LYS 29 -6.749 -1.242 -15.777 219 HA LYS 29 HA LYS 29 -7.603 -0.194 -18.304 220 HB2 LYS 29 2HB LYS 29 -9.031 -1.703 -16.098 221 HB3 LYS 29 3HB LYS 29 -9.803 -1.201 -17.588 222 HG2 LYS 29 2HG LYS 29 -7.249 -2.869 -17.549 223 HG3 LYS 29 3HG LYS 29 -8.844 -3.593 -17.547 224 HD2 LYS 29 2HD LYS 29 -9.362 -2.249 -19.662 225 HD3 LYS 29 3HD LYS 29 -7.679 -1.763 -19.694 226 HE2 LYS 29 2HE LYS 29 -7.505 -4.537 -19.373 227 HE3 LYS 29 3HE LYS 29 -8.899 -4.362 -20.421 228 HZ1 LYS 29 1HZ LYS 29 -6.174 -3.303 -20.926 229 HZ2 LYS 29 2HZ LYS 29 -6.966 -4.426 -21.801 230 H TRP 30 HN TRP 30 -6.944 1.267 -15.406 231 HA TRP 30 HA TRP 30 -9.055 2.696 -14.576 232 HB2 TRP 30 2HB TRP 30 -6.155 3.297 -14.862 233 HB3 TRP 30 3HB TRP 30 -7.222 4.639 -14.497 234 HD1 TRP 30 1HD TRP 30 -5.084 2.578 -12.592 235 HE1 TRP 30 1HE TRP 30 -5.843 2.074 -10.115 236 HE3 TRP 30 3HE TRP 30 -9.950 3.892 -13.261 237 HZ2 TRP 30 2HZ TRP 30 -8.338 2.277 -8.745 238 HZ3 TRP 30 3HZ TRP 30 -11.481 3.711 -11.302 239 HH2 TRP 30 2HH TRP 30 -10.747 2.935 -9.104 240 H ALA 31 HN ALA 31 -6.960 3.446 -17.449 241 HA ALA 31 HA ALA 31 -8.457 5.688 -18.241 242 HB1 ALA 31 1HB ALA 31 -6.122 5.249 -18.914 243 HB2 ALA 31 2HB ALA 31 -6.654 3.824 -19.840 244 HB3 ALA 31 3HB ALA 31 -7.173 5.453 -20.336 245 H SER 32 HN SER 32 -8.471 2.216 -19.289 246 HA SER 32 HA SER 32 -10.215 2.311 -21.293 247 HB2 SER 32 2HB SER 32 -10.379 0.246 -19.057 248 HB3 SER 32 3HB SER 32 -10.844 0.014 -20.731 249 HG SER 32 HG SER 32 -8.621 0.275 -21.360 250 H LEU 33 HN LEU 33 -10.867 2.941 -17.874 251 HA LEU 33 HA LEU 33 -13.559 2.473 -17.711 252 HB2 LEU 33 2HB LEU 33 -11.925 3.173 -15.919 253 HB3 LEU 33 3HB LEU 33 -12.120 4.822 -16.481 254 HG LEU 33 HG LEU 33 -14.587 4.617 -16.017 255 HD11 LEU 33 1HD1 LEU 33 -14.484 2.520 -14.089 256 HD12 LEU 33 2HD1 LEU 33 -15.500 2.655 -15.544 257 HD13 LEU 33 3HD1 LEU 33 -13.901 1.880 -15.643 258 HD21 LEU 33 1HD2 LEU 33 -12.389 4.783 -14.085 259 HD22 LEU 33 2HD2 LEU 33 -13.809 5.832 -14.311 260 HD23 LEU 33 3HD2 LEU 33 -13.950 4.335 -13.358 261 H TRP 34 HN TRP 34 -11.933 5.563 -18.723 262 HA TRP 34 HA TRP 34 -14.494 6.414 -19.840 263 HB2 TRP 34 2HB TRP 34 -13.425 8.617 -20.014 264 HB3 TRP 34 3HB TRP 34 -13.486 8.004 -18.373 265 HD1 TRP 34 1HD TRP 34 -10.965 8.954 -21.094 266 HE1 TRP 34 1HE TRP 34 -8.498 9.003 -20.160 267 HE3 TRP 34 3HE TRP 34 -12.070 6.871 -16.589 268 HZ2 TRP 34 2HZ TRP 34 -7.311 8.186 -17.697 269 HZ3 TRP 34 3HZ TRP 34 -10.199 6.532 -14.976 270 HH2 TRP 34 2HH TRP 34 -7.887 7.151 -15.470 271 H ASN 35 HN ASN 35 -10.956 6.242 -20.688 272 HA ASN 35 HA ASN 35 -11.311 6.756 -23.361 273 HB2 ASN 35 2HB ASN 35 -9.185 5.581 -21.625 274 HB3 ASN 35 3HB ASN 35 -9.089 5.078 -23.301 275 HD21 ASN 35 1HD2 ASN 35 -7.765 6.256 -24.433 276 HD22 ASN 35 2HD2 ASN 35 -7.500 7.963 -24.313 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -24.531 -5.690 -5.979 2 HA2 GLY 1 1HA GLY 1 -25.638 -4.315 -8.158 3 HA3 GLY 1 2HA GLY 1 -25.660 -3.813 -6.478 4 H ILE 2 HN ILE 2 -25.470 -1.614 -7.634 5 HA ILE 2 HA ILE 2 -22.682 -1.073 -8.351 6 HB ILE 2 HB ILE 2 -24.874 0.894 -8.789 7 HG12 ILE 2 2HG1 ILE 2 -24.472 -1.560 -10.525 8 HG13 ILE 2 3HG1 ILE 2 -25.866 -1.241 -9.512 9 HG21 ILE 2 1HG2 ILE 2 -23.366 0.847 -11.034 10 HG22 ILE 2 2HG2 ILE 2 -23.005 1.849 -9.607 11 HG23 ILE 2 3HG2 ILE 2 -22.173 0.293 -9.835 12 HD11 ILE 2 1HD1 ILE 2 -26.626 -0.436 -11.569 13 HD12 ILE 2 2HD1 ILE 2 -25.956 1.053 -10.861 14 HD13 ILE 2 3HD1 ILE 2 -25.012 0.134 -12.059 15 H GLY 3 HN GLY 3 -21.870 -1.062 -6.183 16 HA2 GLY 3 1HA GLY 3 -22.977 1.050 -4.449 17 HA3 GLY 3 2HA GLY 3 -22.004 -0.316 -3.937 18 H ALA 4 HN ALA 4 -21.913 2.719 -5.896 19 HA ALA 4 HA ALA 4 -19.178 2.789 -6.335 20 HB1 ALA 4 1HB ALA 4 -20.499 4.292 -7.566 21 HB2 ALA 4 2HB ALA 4 -21.369 4.861 -6.121 22 HB3 ALA 4 3HB ALA 4 -19.679 5.350 -6.393 23 H PHE 5 HN PHE 5 -21.089 3.324 -3.421 24 HA PHE 5 HA PHE 5 -18.980 4.749 -2.088 25 HB2 PHE 5 2HB PHE 5 -21.325 3.340 -0.753 26 HB3 PHE 5 3HB PHE 5 -20.637 4.903 -0.357 27 HD1 PHE 5 1HD PHE 5 -23.592 3.883 -1.014 28 HD2 PHE 5 2HD PHE 5 -20.665 6.133 -3.108 29 HE1 PHE 5 1HE PHE 5 -25.404 5.014 -2.332 30 HE2 PHE 5 2HE PHE 5 -22.478 7.264 -4.425 31 HZ PHE 5 HZ PHE 5 -24.825 6.691 -4.022 32 H GLY 6 HN GLY 6 -20.252 1.408 -2.306 33 HA2 GLY 6 1HA GLY 6 -18.754 0.414 -0.083 34 HA3 GLY 6 2HA GLY 6 -19.599 -0.512 -1.307 35 H LEU 7 HN LEU 7 -18.196 0.860 -3.590 36 HA LEU 7 HA LEU 7 -15.887 -0.841 -3.584 37 HB2 LEU 7 2HB LEU 7 -17.240 0.935 -5.591 38 HB3 LEU 7 3HB LEU 7 -15.646 0.279 -5.907 39 HG LEU 7 HG LEU 7 -18.185 -1.297 -5.413 40 HD11 LEU 7 1HD1 LEU 7 -18.161 -1.869 -7.683 41 HD12 LEU 7 2HD1 LEU 7 -17.796 -0.127 -7.658 42 HD13 LEU 7 3HD1 LEU 7 -16.487 -1.308 -7.905 43 HD21 LEU 7 1HD2 LEU 7 -16.565 -3.222 -6.171 44 HD22 LEU 7 2HD2 LEU 7 -15.315 -2.147 -5.501 45 HD23 LEU 7 3HD2 LEU 7 -16.648 -2.716 -4.467 46 H LEU 8 HN LEU 8 -16.655 2.461 -2.770 47 HA LEU 8 HA LEU 8 -14.155 3.607 -3.371 48 HB2 LEU 8 2HB LEU 8 -16.647 4.436 -2.417 49 HB3 LEU 8 3HB LEU 8 -15.529 4.811 -1.121 50 HG LEU 8 HG LEU 8 -15.736 6.740 -2.509 51 HD11 LEU 8 1HD1 LEU 8 -13.091 5.412 -3.159 52 HD12 LEU 8 2HD1 LEU 8 -13.439 7.158 -3.153 53 HD13 LEU 8 3HD1 LEU 8 -13.486 6.235 -1.631 54 HD21 LEU 8 1HD2 LEU 8 -15.380 4.800 -4.766 55 HD22 LEU 8 2HD2 LEU 8 -16.565 6.112 -4.559 56 HD23 LEU 8 3HD2 LEU 8 -14.878 6.495 -4.976 57 H GLY 9 HN GLY 9 -15.334 1.505 -0.802 58 HA2 GLY 9 1HA GLY 9 -13.152 2.140 0.997 59 HA3 GLY 9 2HA GLY 9 -14.413 0.945 1.217 60 H PHE 10 HN PHE 10 -14.018 -0.287 -1.493 61 HA PHE 10 HA PHE 10 -12.233 -2.271 -0.777 62 HB2 PHE 10 2HB PHE 10 -14.133 -1.863 -2.690 63 HB3 PHE 10 3HB PHE 10 -12.734 -1.473 -3.669 64 HD1 PHE 10 1HD PHE 10 -10.925 -3.222 -3.945 65 HD2 PHE 10 2HD PHE 10 -14.713 -4.106 -2.248 66 HE1 PHE 10 1HE PHE 10 -10.554 -5.665 -4.389 67 HE2 PHE 10 2HE PHE 10 -14.343 -6.548 -2.692 68 HZ PHE 10 HZ PHE 10 -12.268 -7.299 -3.757 69 H LEU 11 HN LEU 11 -11.774 0.704 -2.762 70 HA LEU 11 HA LEU 11 -9.109 -0.007 -3.481 71 HB2 LEU 11 2HB LEU 11 -10.749 2.511 -3.713 72 HB3 LEU 11 3HB LEU 11 -9.074 2.425 -4.223 73 HG LEU 11 HG LEU 11 -9.531 1.119 -6.052 74 HD11 LEU 11 1HD1 LEU 11 -10.538 -0.733 -4.770 75 HD12 LEU 11 2HD1 LEU 11 -12.094 0.133 -4.767 76 HD13 LEU 11 3HD1 LEU 11 -11.386 -0.421 -6.304 77 HD21 LEU 11 1HD2 LEU 11 -12.299 2.036 -6.221 78 HD22 LEU 11 2HD2 LEU 11 -11.177 3.311 -5.689 79 HD23 LEU 11 3HD2 LEU 11 -10.884 2.451 -7.219 80 H ALA 12 HN ALA 12 -10.682 2.061 -0.987 81 HA ALA 12 HA ALA 12 -8.376 3.247 -0.004 82 HB1 ALA 12 1HB ALA 12 -10.704 2.424 1.743 83 HB2 ALA 12 2HB ALA 12 -9.740 3.919 1.788 84 HB3 ALA 12 3HB ALA 12 -10.912 3.654 0.474 85 H ALA 13 HN ALA 13 -9.791 0.003 0.495 86 HA ALA 13 HA ALA 13 -8.230 -0.674 2.733 87 HB1 ALA 13 1HB ALA 13 -9.075 -2.871 2.372 88 HB2 ALA 13 2HB ALA 13 -10.362 -1.774 1.817 89 HB3 ALA 13 3HB ALA 13 -9.308 -2.580 0.632 90 H GLY 14 HN GLY 14 -7.775 -1.023 -0.831 91 HA2 GLY 14 1HA GLY 14 -5.401 -2.530 -0.712 92 HA3 GLY 14 2HA GLY 14 -5.968 -1.558 -2.056 93 H SER 15 HN SER 15 -6.104 0.983 -0.495 94 HA SER 15 HA SER 15 -3.596 1.922 -1.058 95 HB2 SER 15 2HB SER 15 -5.013 3.703 -0.870 96 HB3 SER 15 3HB SER 15 -6.021 2.905 0.320 97 HG SER 15 HG SER 15 -3.823 4.632 0.684 98 H LYS 16 HN LYS 16 -4.943 0.446 1.901 99 HA LYS 16 HA LYS 16 -2.930 1.262 3.667 100 HB2 LYS 16 2HB LYS 16 -4.747 -1.166 3.720 101 HB3 LYS 16 3HB LYS 16 -3.763 -0.621 5.062 102 HG2 LYS 16 2HG LYS 16 -5.709 1.278 3.704 103 HG3 LYS 16 3HG LYS 16 -6.267 0.162 4.933 104 HD2 LYS 16 2HD LYS 16 -3.861 1.933 5.472 105 HD3 LYS 16 3HD LYS 16 -5.481 2.580 5.641 106 HE2 LYS 16 2HE LYS 16 -6.030 0.663 7.211 107 HE3 LYS 16 3HE LYS 16 -4.360 0.143 7.105 108 HZ1 LYS 16 1HZ LYS 16 -4.336 2.871 7.717 109 HZ2 LYS 16 2HZ LYS 16 -5.422 2.189 8.722 110 H LYS 17 HN LYS 17 -3.383 -1.938 1.992 111 HA LYS 17 HA LYS 17 -0.456 -2.130 1.940 112 HB2 LYS 17 2HB LYS 17 -2.336 -3.834 3.353 113 HB3 LYS 17 3HB LYS 17 -1.442 -4.752 2.159 114 HG2 LYS 17 2HG LYS 17 0.681 -4.118 3.096 115 HG3 LYS 17 3HG LYS 17 -0.029 -2.826 4.043 116 HD2 LYS 17 2HD LYS 17 -0.637 -5.789 4.464 117 HD3 LYS 17 3HD LYS 17 0.541 -4.888 5.394 118 HE2 LYS 17 2HE LYS 17 -1.795 -3.296 5.503 119 HE3 LYS 17 3HE LYS 17 -2.384 -4.939 5.660 120 HZ1 LYS 17 1HZ LYS 17 -0.079 -4.044 7.274 121 HZ2 LYS 17 2HZ LYS 17 -1.596 -3.729 7.774 122 H21 ACA 18 1HA ACA 18 -6.258 -6.363 -0.972 123 H22 ACA 18 2HA ACA 18 -7.223 -7.298 -2.098 124 H31 ACA 18 2HB ACA 18 -5.667 -7.045 -3.732 125 H32 ACA 18 3HB ACA 18 -4.414 -7.715 -2.708 126 H41 ACA 18 2HG ACA 18 -5.347 -4.805 -2.689 127 H42 ACA 18 3HG ACA 18 -3.867 -5.391 -3.421 128 H51 ACA 18 2HD ACA 18 -3.287 -6.336 -1.055 129 H52 ACA 18 3HD ACA 18 -4.584 -5.316 -0.466 130 H61 ACA 18 2HE ACA 18 -2.006 -4.621 -1.734 131 H62 ACA 18 3HE ACA 18 -3.443 -3.056 -2.104 132 HN61 ACA 18 HN ACA 18 -3.221 -4.176 0.788 133 H LYS 19 HN LYS 19 -7.719 -9.392 -1.107 134 HA LYS 19 HA LYS 19 -6.643 -8.631 1.483 135 HB2 LYS 19 2HB LYS 19 -9.236 -10.071 0.879 136 HB3 LYS 19 3HB LYS 19 -8.784 -9.252 2.361 137 HG2 LYS 19 2HG LYS 19 -8.493 -7.132 0.796 138 HG3 LYS 19 3HG LYS 19 -9.488 -8.038 -0.327 139 HD2 LYS 19 2HD LYS 19 -11.107 -6.842 0.886 140 HD3 LYS 19 3HD LYS 19 -11.103 -8.382 1.721 141 HE2 LYS 19 2HE LYS 19 -10.992 -6.763 3.469 142 HE3 LYS 19 3HE LYS 19 -9.349 -7.356 3.323 143 HZ1 LYS 19 1HZ LYS 19 -10.423 -4.781 2.356 144 HZ2 LYS 19 2HZ LYS 19 -9.129 -5.036 3.311 145 H ASN 20 HN ASN 20 -8.006 -11.045 2.718 146 HA ASN 20 HA ASN 20 -5.775 -12.588 3.001 147 HB2 ASN 20 2HB ASN 20 -8.406 -12.541 4.027 148 HB3 ASN 20 3HB ASN 20 -8.288 -14.124 3.284 149 HD21 ASN 20 1HD2 ASN 20 -8.198 -12.866 6.118 150 HD22 ASN 20 2HD2 ASN 20 -6.911 -13.707 6.916 151 H GLU 21 HN GLU 21 -5.337 -14.841 2.218 152 HA GLU 21 HA GLU 21 -5.620 -15.088 -0.501 153 HB2 GLU 21 2HB GLU 21 -4.527 -17.187 -0.264 154 HB3 GLU 21 3HB GLU 21 -3.935 -16.222 1.073 155 HG2 GLU 21 2HG GLU 21 -5.903 -17.278 2.446 156 HG3 GLU 21 3HG GLU 21 -6.008 -18.445 1.143 157 HE2 GLU 21 2HE GLU 21 -3.323 -19.916 1.286 158 H GLN 22 HN GLN 22 -7.830 -15.867 2.102 159 HA GLN 22 HA GLN 22 -9.241 -17.947 1.182 160 HB2 GLN 22 2HB GLN 22 -10.063 -15.415 2.616 161 HB3 GLN 22 3HB GLN 22 -11.290 -16.581 2.164 162 HG2 GLN 22 2HG GLN 22 -10.716 -17.940 3.888 163 HG3 GLN 22 3HG GLN 22 -9.050 -17.999 3.346 164 HE21 GLN 22 1HE2 GLN 22 -7.521 -16.940 4.420 165 HE22 GLN 22 2HE2 GLN 22 -7.768 -15.868 5.757 166 H GLU 23 HN GLU 23 -9.742 -14.473 0.241 167 HA GLU 23 HA GLU 23 -11.838 -14.823 -1.430 168 HB2 GLU 23 2HB GLU 23 -10.761 -12.643 -0.735 169 HB3 GLU 23 3HB GLU 23 -9.491 -12.933 -1.908 170 HG2 GLU 23 2HG GLU 23 -12.245 -13.202 -3.005 171 HG3 GLU 23 3HG GLU 23 -11.856 -11.591 -2.436 172 HE2 GLU 23 2HE GLU 23 -8.892 -12.752 -4.672 173 H LEU 24 HN LEU 24 -8.312 -15.161 -2.183 174 HA LEU 24 HA LEU 24 -8.418 -15.532 -4.865 175 HB2 LEU 24 2HB LEU 24 -6.582 -15.931 -2.780 176 HB3 LEU 24 3HB LEU 24 -6.637 -17.453 -3.647 177 HG LEU 24 HG LEU 24 -4.874 -15.812 -4.391 178 HD11 LEU 24 1HD1 LEU 24 -5.056 -17.418 -5.973 179 HD12 LEU 24 2HD1 LEU 24 -6.816 -17.222 -6.137 180 HD13 LEU 24 3HD1 LEU 24 -5.715 -16.073 -6.932 181 HD21 LEU 24 1HD2 LEU 24 -6.919 -14.337 -5.980 182 HD22 LEU 24 2HD2 LEU 24 -6.724 -13.903 -4.264 183 HD23 LEU 24 3HD2 LEU 24 -5.332 -13.810 -5.370 184 H LEU 25 HN LEU 25 -8.705 -18.173 -2.379 185 HA LEU 25 HA LEU 25 -9.274 -20.196 -4.156 186 HB2 LEU 25 2HB LEU 25 -10.195 -19.806 -1.306 187 HB3 LEU 25 3HB LEU 25 -10.320 -21.309 -2.197 188 HG LEU 25 HG LEU 25 -8.367 -21.806 -1.224 189 HD11 LEU 25 1HD1 LEU 25 -7.651 -21.579 -3.516 190 HD12 LEU 25 2HD1 LEU 25 -7.341 -19.840 -3.290 191 HD13 LEU 25 3HD1 LEU 25 -6.342 -21.041 -2.435 192 HD21 LEU 25 1HD2 LEU 25 -8.374 -18.928 -0.549 193 HD22 LEU 25 2HD2 LEU 25 -8.043 -20.354 0.464 194 HD23 LEU 25 3HD2 LEU 25 -6.773 -19.705 -0.601 195 H GLU 26 HN GLU 26 -11.396 -17.681 -2.736 196 HA GLU 26 HA GLU 26 -13.807 -18.778 -3.409 197 HB2 GLU 26 2HB GLU 26 -12.870 -16.347 -2.361 198 HB3 GLU 26 3HB GLU 26 -13.722 -15.866 -3.816 199 HG2 GLU 26 2HG GLU 26 -15.328 -15.892 -1.990 200 HG3 GLU 26 3HG GLU 26 -15.712 -17.226 -3.061 201 HE2 GLU 26 2HE GLU 26 -16.648 -17.563 -0.794 202 H LEU 27 HN LEU 27 -11.545 -16.769 -5.379 203 HA LEU 27 HA LEU 27 -13.318 -16.773 -7.628 204 HB2 LEU 27 2HB LEU 27 -10.461 -15.881 -7.243 205 HB3 LEU 27 3HB LEU 27 -11.328 -15.737 -8.759 206 HG LEU 27 HG LEU 27 -11.184 -13.813 -6.824 207 HD11 LEU 27 1HD1 LEU 27 -12.935 -12.653 -8.079 208 HD12 LEU 27 2HD1 LEU 27 -11.793 -13.479 -9.165 209 HD13 LEU 27 3HD1 LEU 27 -13.400 -14.184 -8.860 210 HD21 LEU 27 1HD2 LEU 27 -13.475 -13.604 -5.871 211 HD22 LEU 27 2HD2 LEU 27 -13.821 -15.254 -6.442 212 HD23 LEU 27 3HD2 LEU 27 -12.548 -14.981 -5.228 213 H ASP 28 HN ASP 28 -10.741 -18.801 -6.323 214 HA ASP 28 HA ASP 28 -9.971 -20.024 -8.673 215 HB2 ASP 28 2HB ASP 28 -8.925 -20.196 -6.330 216 HB3 ASP 28 3HB ASP 28 -10.186 -21.345 -5.930 217 HD2 ASP 28 2HD ASP 28 -8.477 -23.953 -7.171 218 H LYS 29 HN LYS 29 -12.904 -20.180 -6.769 219 HA LYS 29 HA LYS 29 -13.664 -22.815 -7.602 220 HB2 LYS 29 2HB LYS 29 -14.749 -20.672 -5.866 221 HB3 LYS 29 3HB LYS 29 -15.946 -21.679 -6.654 222 HG2 LYS 29 2HG LYS 29 -15.450 -22.802 -4.602 223 HG3 LYS 29 3HG LYS 29 -14.604 -23.718 -5.834 224 HD2 LYS 29 2HD LYS 29 -12.494 -22.482 -5.309 225 HD3 LYS 29 3HD LYS 29 -13.338 -21.555 -4.085 226 HE2 LYS 29 2HE LYS 29 -13.161 -24.603 -4.042 227 HE3 LYS 29 3HE LYS 29 -12.020 -23.565 -3.211 228 HZ1 LYS 29 1HZ LYS 29 -14.721 -24.206 -2.469 229 HZ2 LYS 29 2HZ LYS 29 -13.513 -23.640 -1.537 230 H TRP 30 HN TRP 30 -13.244 -19.993 -9.283 231 HA TRP 30 HA TRP 30 -15.466 -19.378 -10.650 232 HB2 TRP 30 2HB TRP 30 -12.588 -19.548 -11.383 233 HB3 TRP 30 3HB TRP 30 -13.738 -19.335 -12.688 234 HD1 TRP 30 1HD TRP 30 -11.615 -17.179 -10.875 235 HE1 TRP 30 1HE TRP 30 -12.489 -14.719 -10.496 236 HE3 TRP 30 3HE TRP 30 -16.494 -18.200 -11.881 237 HZ2 TRP 30 2HZ TRP 30 -15.066 -13.502 -10.657 238 HZ3 TRP 30 3HZ TRP 30 -18.124 -16.319 -11.748 239 HH2 TRP 30 2HH TRP 30 -17.479 -14.036 -11.160 240 H ALA 31 HN ALA 31 -13.263 -22.195 -11.287 241 HA ALA 31 HA ALA 31 -14.820 -23.214 -13.400 242 HB1 ALA 31 1HB ALA 31 -12.373 -23.669 -12.856 243 HB2 ALA 31 2HB ALA 31 -12.947 -24.749 -11.563 244 HB3 ALA 31 3HB ALA 31 -13.348 -25.102 -13.262 245 H SER 32 HN SER 32 -14.624 -23.960 -9.860 246 HA SER 32 HA SER 32 -16.232 -26.079 -9.713 247 HB2 SER 32 2HB SER 32 -16.329 -25.629 -7.460 248 HB3 SER 32 3HB SER 32 -15.114 -24.441 -7.887 249 HG SER 32 HG SER 32 -17.655 -24.052 -6.901 250 H LEU 33 HN LEU 33 -17.130 -22.762 -10.566 251 HA LEU 33 HA LEU 33 -19.809 -22.744 -9.986 252 HB2 LEU 33 2HB LEU 33 -18.502 -20.831 -10.763 253 HB3 LEU 33 3HB LEU 33 -18.366 -21.548 -12.355 254 HG LEU 33 HG LEU 33 -20.721 -21.294 -12.766 255 HD11 LEU 33 1HD1 LEU 33 -20.851 -20.750 -9.830 256 HD12 LEU 33 2HD1 LEU 33 -22.026 -19.951 -10.902 257 HD13 LEU 33 3HD1 LEU 33 -21.918 -21.727 -10.867 258 HD21 LEU 33 1HD2 LEU 33 -19.143 -18.944 -11.852 259 HD22 LEU 33 2HD2 LEU 33 -19.827 -19.324 -13.450 260 HD23 LEU 33 3HD2 LEU 33 -20.878 -18.695 -12.159 261 H TRP 34 HN TRP 34 -18.205 -23.891 -13.037 262 HA TRP 34 HA TRP 34 -20.721 -25.218 -13.720 263 HB2 TRP 34 2HB TRP 34 -19.740 -25.447 -15.955 264 HB3 TRP 34 3HB TRP 34 -19.887 -23.780 -15.437 265 HD1 TRP 34 1HD TRP 34 -17.224 -26.390 -16.324 266 HE1 TRP 34 1HE TRP 34 -14.833 -25.297 -16.557 267 HE3 TRP 34 3HE TRP 34 -18.556 -21.830 -14.513 268 HZ2 TRP 34 2HZ TRP 34 -13.792 -22.705 -15.971 269 HZ3 TRP 34 3HZ TRP 34 -16.792 -20.073 -14.377 270 HH2 TRP 34 2HH TRP 34 -14.479 -20.453 -15.069 271 H ASN 35 HN ASN 35 -17.124 -25.788 -13.657 272 HA ASN 35 HA ASN 35 -15.956 -27.613 -13.459 273 HB2 ASN 35 2HB ASN 35 -17.057 -27.308 -11.109 274 HB3 ASN 35 3HB ASN 35 -18.109 -28.638 -11.550 275 HD21 ASN 35 1HD2 ASN 35 -14.766 -27.640 -11.091 276 HD22 ASN 35 2HD2 ASN 35 -14.095 -29.200 -10.755 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -9.414 6.561 3.749 2 HA2 GLY 1 1HA GLY 1 -9.790 6.728 5.966 3 HA3 GLY 1 2HA GLY 1 -11.387 7.367 5.630 4 H ILE 2 HN ILE 2 -13.115 5.740 4.930 5 HA ILE 2 HA ILE 2 -12.557 3.056 5.931 6 HB ILE 2 HB ILE 2 -15.062 3.475 6.902 7 HG12 ILE 2 2HG1 ILE 2 -13.563 5.985 7.664 8 HG13 ILE 2 3HG1 ILE 2 -14.702 5.956 6.334 9 HG21 ILE 2 1HG2 ILE 2 -12.348 3.658 8.210 10 HG22 ILE 2 2HG2 ILE 2 -13.862 3.700 9.145 11 HG23 ILE 2 3HG2 ILE 2 -13.470 2.277 8.148 12 HD11 ILE 2 1HD1 ILE 2 -16.285 4.775 8.147 13 HD12 ILE 2 2HD1 ILE 2 -15.212 5.629 9.282 14 HD13 ILE 2 3HD1 ILE 2 -16.134 6.547 8.068 15 H GLY 3 HN GLY 3 -14.373 1.514 5.295 16 HA2 GLY 3 1HA GLY 3 -15.227 2.221 2.574 17 HA3 GLY 3 2HA GLY 3 -15.053 0.609 3.240 18 H ALA 4 HN ALA 4 -17.214 3.256 2.653 19 HA ALA 4 HA ALA 4 -19.139 2.792 4.623 20 HB1 ALA 4 1HB ALA 4 -19.899 4.646 3.614 21 HB2 ALA 4 2HB ALA 4 -18.768 4.399 2.262 22 HB3 ALA 4 3HB ALA 4 -20.389 3.665 2.212 23 H PHE 5 HN PHE 5 -19.604 2.014 1.116 24 HA PHE 5 HA PHE 5 -21.190 -0.272 1.959 25 HB2 PHE 5 2HB PHE 5 -21.922 1.528 0.257 26 HB3 PHE 5 3HB PHE 5 -20.627 0.987 -0.793 27 HD1 PHE 5 1HD PHE 5 -23.954 0.262 0.473 28 HD2 PHE 5 2HD PHE 5 -20.742 -1.230 -1.865 29 HE1 PHE 5 1HE PHE 5 -25.482 -1.458 -0.530 30 HE2 PHE 5 2HE PHE 5 -22.271 -2.950 -2.867 31 HZ PHE 5 HZ PHE 5 -24.623 -3.043 -2.188 32 H GLY 6 HN GLY 6 -18.761 0.420 -0.666 33 HA2 GLY 6 1HA GLY 6 -17.072 -1.734 0.039 34 HA3 GLY 6 2HA GLY 6 -18.170 -2.242 -1.229 35 H LEU 7 HN LEU 7 -18.506 -0.050 -2.854 36 HA LEU 7 HA LEU 7 -15.887 0.147 -4.037 37 HB2 LEU 7 2HB LEU 7 -18.684 0.835 -4.870 38 HB3 LEU 7 3HB LEU 7 -17.317 1.489 -5.749 39 HG LEU 7 HG LEU 7 -17.129 -1.410 -5.328 40 HD11 LEU 7 1HD1 LEU 7 -18.904 -1.525 -7.375 41 HD12 LEU 7 2HD1 LEU 7 -19.307 -1.854 -5.673 42 HD13 LEU 7 3HD1 LEU 7 -19.637 -0.250 -6.372 43 HD21 LEU 7 1HD2 LEU 7 -15.738 0.103 -6.845 44 HD22 LEU 7 2HD2 LEU 7 -16.334 -1.424 -7.537 45 HD23 LEU 7 3HD2 LEU 7 -17.145 0.110 -7.935 46 H LEU 8 HN LEU 8 -17.677 1.842 -1.685 47 HA LEU 8 HA LEU 8 -17.057 4.489 -2.379 48 HB2 LEU 8 2HB LEU 8 -18.020 3.022 0.008 49 HB3 LEU 8 3HB LEU 8 -17.265 4.575 0.306 50 HG LEU 8 HG LEU 8 -19.769 4.596 0.064 51 HD11 LEU 8 1HD1 LEU 8 -17.850 6.442 -0.765 52 HD12 LEU 8 2HD1 LEU 8 -19.049 6.412 -2.081 53 HD13 LEU 8 3HD1 LEU 8 -19.566 6.756 -0.413 54 HD21 LEU 8 1HD2 LEU 8 -19.950 2.960 -1.756 55 HD22 LEU 8 2HD2 LEU 8 -20.748 4.497 -2.164 56 HD23 LEU 8 3HD2 LEU 8 -19.158 4.106 -2.864 57 H GLY 9 HN GLY 9 -15.099 1.834 -1.334 58 HA2 GLY 9 1HA GLY 9 -12.724 3.370 -1.475 59 HA3 GLY 9 2HA GLY 9 -13.144 3.075 0.201 60 H PHE 10 HN PHE 10 -13.398 1.113 -2.858 61 HA PHE 10 HA PHE 10 -12.694 -1.258 -1.464 62 HB2 PHE 10 2HB PHE 10 -14.010 -0.565 -3.790 63 HB3 PHE 10 3HB PHE 10 -12.439 -0.947 -4.464 64 HD1 PHE 10 1HD PHE 10 -15.544 -2.273 -3.839 65 HD2 PHE 10 2HD PHE 10 -11.440 -3.255 -3.388 66 HE1 PHE 10 1HE PHE 10 -16.128 -4.714 -3.825 67 HE2 PHE 10 2HE PHE 10 -12.025 -5.697 -3.374 68 HZ PHE 10 HZ PHE 10 -14.363 -6.396 -3.593 69 H LEU 11 HN LEU 11 -10.990 1.084 -3.598 70 HA LEU 11 HA LEU 11 -8.637 -0.528 -3.735 71 HB2 LEU 11 2HB LEU 11 -9.086 2.374 -4.444 72 HB3 LEU 11 3HB LEU 11 -7.679 1.419 -4.861 73 HG LEU 11 HG LEU 11 -8.806 1.269 -6.827 74 HD11 LEU 11 1HD1 LEU 11 -10.359 -0.928 -5.459 75 HD12 LEU 11 2HD1 LEU 11 -9.719 -0.875 -7.120 76 HD13 LEU 11 3HD1 LEU 11 -8.605 -1.034 -5.740 77 HD21 LEU 11 1HD2 LEU 11 -10.954 2.305 -5.323 78 HD22 LEU 11 2HD2 LEU 11 -10.811 2.176 -7.092 79 HD23 LEU 11 3HD2 LEU 11 -11.576 0.864 -6.163 80 H ALA 12 HN ALA 12 -9.752 2.346 -1.861 81 HA ALA 12 HA ALA 12 -7.379 2.921 -0.585 82 HB1 ALA 12 1HB ALA 12 -10.305 3.254 0.044 83 HB2 ALA 12 2HB ALA 12 -9.097 3.661 1.286 84 HB3 ALA 12 3HB ALA 12 -9.069 4.491 -0.289 85 H ALA 13 HN ALA 13 -9.671 0.254 -0.128 86 HA ALA 13 HA ALA 13 -8.995 -0.494 2.453 87 HB1 ALA 13 1HB ALA 13 -10.892 -1.357 1.058 88 HB2 ALA 13 2HB ALA 13 -9.715 -2.291 0.104 89 HB3 ALA 13 3HB ALA 13 -9.942 -2.647 1.832 90 H GLY 14 HN GLY 14 -7.455 -1.250 -0.724 91 HA2 GLY 14 1HA GLY 14 -5.533 -3.049 0.335 92 HA3 GLY 14 2HA GLY 14 -5.503 -2.255 -1.226 93 H SER 15 HN SER 15 -5.656 0.509 -0.200 94 HA SER 15 HA SER 15 -2.957 0.981 0.066 95 HB2 SER 15 2HB SER 15 -4.398 2.722 -0.758 96 HB3 SER 15 3HB SER 15 -5.411 2.670 0.669 97 HG SER 15 HG SER 15 -4.130 4.408 1.083 98 H LYS 16 HN LYS 16 -5.280 -0.135 2.373 99 HA LYS 16 HA LYS 16 -4.294 1.059 4.704 100 HB2 LYS 16 2HB LYS 16 -5.731 -1.582 4.297 101 HB3 LYS 16 3HB LYS 16 -5.481 -0.801 5.844 102 HG2 LYS 16 2HG LYS 16 -6.669 0.951 3.739 103 HG3 LYS 16 3HG LYS 16 -7.680 -0.392 4.233 104 HD2 LYS 16 2HD LYS 16 -6.397 1.015 6.510 105 HD3 LYS 16 3HD LYS 16 -7.468 2.039 5.573 106 HE2 LYS 16 2HE LYS 16 -8.460 -0.715 6.291 107 HE3 LYS 16 3HE LYS 16 -8.376 0.472 7.577 108 HZ1 LYS 16 1HZ LYS 16 -9.983 0.604 5.105 109 HZ2 LYS 16 2HZ LYS 16 -10.480 0.803 6.643 110 H LYS 17 HN LYS 17 -3.386 -1.921 2.899 111 HA LYS 17 HA LYS 17 -1.147 -2.225 4.773 112 HB2 LYS 17 2HB LYS 17 -2.752 -4.172 3.143 113 HB3 LYS 17 3HB LYS 17 -1.093 -4.557 3.551 114 HG2 LYS 17 2HG LYS 17 -1.938 -5.334 5.521 115 HG3 LYS 17 3HG LYS 17 -2.048 -3.647 5.987 116 HD2 LYS 17 2HD LYS 17 -4.380 -3.878 4.575 117 HD3 LYS 17 3HD LYS 17 -4.217 -5.530 5.135 118 HE2 LYS 17 2HE LYS 17 -3.642 -4.214 7.462 119 HE3 LYS 17 3HE LYS 17 -4.691 -3.026 6.713 120 HZ1 LYS 17 1HZ LYS 17 -5.368 -5.663 7.709 121 HZ2 LYS 17 2HZ LYS 17 -6.306 -4.336 7.595 122 H21 ACA 18 1HA ACA 18 0.716 -2.013 -4.005 123 H22 ACA 18 2HA ACA 18 2.337 -2.551 -3.617 124 H31 ACA 18 2HB ACA 18 1.591 -4.263 -2.281 125 H32 ACA 18 3HB ACA 18 0.307 -4.704 -3.390 126 H41 ACA 18 2HG ACA 18 -1.242 -3.496 -2.237 127 H42 ACA 18 3HG ACA 18 -0.209 -2.081 -2.174 128 H51 ACA 18 2HD ACA 18 1.074 -3.794 -0.399 129 H52 ACA 18 3HD ACA 18 -0.606 -4.221 -0.151 130 H61 ACA 18 2HE ACA 18 0.868 -1.940 0.664 131 H62 ACA 18 3HE ACA 18 -0.700 -0.998 -0.481 132 HN61 ACA 18 HN ACA 18 -1.850 -2.911 1.270 133 H LYS 19 HN LYS 19 -0.546 -3.486 -5.756 134 HA LYS 19 HA LYS 19 0.719 -6.015 -5.263 135 HB2 LYS 19 2HB LYS 19 -1.956 -5.404 -6.555 136 HB3 LYS 19 3HB LYS 19 -1.418 -6.955 -5.940 137 HG2 LYS 19 2HG LYS 19 -1.230 -5.984 -3.643 138 HG3 LYS 19 3HG LYS 19 -1.756 -4.428 -4.254 139 HD2 LYS 19 2HD LYS 19 -3.500 -6.831 -4.800 140 HD3 LYS 19 3HD LYS 19 -3.494 -6.169 -3.179 141 HE2 LYS 19 2HE LYS 19 -4.176 -3.963 -4.001 142 HE3 LYS 19 3HE LYS 19 -3.974 -4.467 -5.668 143 HZ1 LYS 19 1HZ LYS 19 -6.304 -4.615 -4.339 144 HZ2 LYS 19 2HZ LYS 19 -5.961 -5.541 -5.633 145 H ASN 20 HN ASN 20 -0.867 -4.630 -8.228 146 HA ASN 20 HA ASN 20 0.904 -6.282 -9.784 147 HB2 ASN 20 2HB ASN 20 -1.348 -4.399 -10.667 148 HB3 ASN 20 3HB ASN 20 -0.526 -5.547 -11.704 149 HD21 ASN 20 1HD2 ASN 20 -1.538 -7.360 -12.041 150 HD22 ASN 20 2HD2 ASN 20 -2.647 -8.164 -10.980 151 H GLU 21 HN GLU 21 2.309 -5.340 -11.468 152 HA GLU 21 HA GLU 21 3.673 -3.111 -10.697 153 HB2 GLU 21 2HB GLU 21 4.727 -3.199 -12.933 154 HB3 GLU 21 3HB GLU 21 4.570 -4.803 -12.245 155 HG2 GLU 21 2HG GLU 21 2.359 -5.018 -13.554 156 HG3 GLU 21 3HG GLU 21 2.800 -3.537 -14.382 157 HE2 GLU 21 2HE GLU 21 3.871 -5.917 -16.564 158 H GLN 22 HN GLN 22 0.859 -3.439 -12.900 159 HA GLN 22 HA GLN 22 0.848 -1.102 -14.175 160 HB2 GLN 22 2HB GLN 22 -1.498 -2.530 -12.853 161 HB3 GLN 22 3HB GLN 22 -1.698 -1.214 -13.991 162 HG2 GLN 22 2HG GLN 22 -1.031 -2.487 -15.810 163 HG3 GLN 22 3HG GLN 22 0.122 -3.421 -14.877 164 HE21 GLN 22 1HE2 GLN 22 -0.363 -5.433 -14.465 165 HE22 GLN 22 2HE2 GLN 22 -1.939 -6.153 -14.447 166 H GLU 23 HN GLU 23 -0.504 -1.634 -10.840 167 HA GLU 23 HA GLU 23 -1.368 0.854 -10.328 168 HB2 GLU 23 2HB GLU 23 -1.391 -1.276 -8.853 169 HB3 GLU 23 3HB GLU 23 0.177 -0.760 -8.266 170 HG2 GLU 23 2HG GLU 23 -1.478 1.555 -8.144 171 HG3 GLU 23 3HG GLU 23 -2.470 0.241 -7.549 172 HE2 GLU 23 2HE GLU 23 -1.508 0.267 -4.713 173 H LEU 24 HN LEU 24 2.018 -0.360 -10.191 174 HA LEU 24 HA LEU 24 3.105 1.965 -9.051 175 HB2 LEU 24 2HB LEU 24 3.997 -0.513 -9.492 176 HB3 LEU 24 3HB LEU 24 4.716 0.268 -10.886 177 HG LEU 24 HG LEU 24 6.371 0.311 -9.223 178 HD11 LEU 24 1HD1 LEU 24 5.392 3.052 -8.649 179 HD12 LEU 24 2HD1 LEU 24 6.960 2.492 -9.281 180 HD13 LEU 24 3HD1 LEU 24 5.551 2.604 -10.364 181 HD21 LEU 24 1HD2 LEU 24 5.681 1.541 -6.950 182 HD22 LEU 24 2HD2 LEU 24 4.103 0.833 -7.372 183 HD23 LEU 24 3HD2 LEU 24 5.529 -0.217 -7.185 184 H LEU 25 HN LEU 25 2.669 0.863 -12.469 185 HA LEU 25 HA LEU 25 3.610 3.467 -13.364 186 HB2 LEU 25 2HB LEU 25 2.786 1.084 -15.019 187 HB3 LEU 25 3HB LEU 25 3.671 2.499 -15.550 188 HG LEU 25 HG LEU 25 5.454 1.148 -15.333 189 HD11 LEU 25 1HD1 LEU 25 5.199 1.546 -12.352 190 HD12 LEU 25 2HD1 LEU 25 6.671 1.485 -13.354 191 HD13 LEU 25 3HD1 LEU 25 5.575 2.885 -13.464 192 HD21 LEU 25 1HD2 LEU 25 3.542 -0.545 -13.956 193 HD22 LEU 25 2HD2 LEU 25 4.950 -0.984 -14.955 194 HD23 LEU 25 3HD2 LEU 25 5.159 -0.649 -13.218 195 H GLU 26 HN GLU 26 1.067 3.090 -11.813 196 HA GLU 26 HA GLU 26 -1.095 3.145 -13.532 197 HB2 GLU 26 2HB GLU 26 -1.202 2.808 -11.053 198 HB3 GLU 26 3HB GLU 26 -0.800 4.497 -10.813 199 HG2 GLU 26 2HG GLU 26 -2.896 4.838 -12.490 200 HG3 GLU 26 3HG GLU 26 -3.352 3.277 -11.840 201 HE2 GLU 26 2HE GLU 26 -4.754 5.756 -9.612 202 H LEU 27 HN LEU 27 1.077 5.743 -12.319 203 HA LEU 27 HA LEU 27 -0.483 7.781 -13.622 204 HB2 LEU 27 2HB LEU 27 2.126 7.810 -12.107 205 HB3 LEU 27 3HB LEU 27 1.413 9.236 -12.834 206 HG LEU 27 HG LEU 27 1.022 8.408 -10.262 207 HD11 LEU 27 1HD1 LEU 27 -0.883 10.062 -11.943 208 HD12 LEU 27 2HD1 LEU 27 -0.765 10.076 -10.167 209 HD13 LEU 27 3HD1 LEU 27 0.602 10.644 -11.153 210 HD21 LEU 27 1HD2 LEU 27 -0.275 6.465 -10.838 211 HD22 LEU 27 2HD2 LEU 27 -1.350 7.677 -10.101 212 HD23 LEU 27 3HD2 LEU 27 -1.359 7.435 -11.865 213 H ASP 28 HN ASP 28 2.269 5.673 -14.301 214 HA ASP 28 HA ASP 28 3.455 7.196 -16.270 215 HB2 ASP 28 2HB ASP 28 3.913 4.744 -15.106 216 HB3 ASP 28 3HB ASP 28 3.348 4.237 -16.685 217 HD2 ASP 28 2HD ASP 28 6.747 6.355 -16.464 218 H LYS 29 HN LYS 29 0.424 5.453 -16.127 219 HA LYS 29 HA LYS 29 0.211 4.984 -18.947 220 HB2 LYS 29 2HB LYS 29 -1.772 4.757 -16.666 221 HB3 LYS 29 3HB LYS 29 -2.134 4.332 -18.326 222 HG2 LYS 29 2HG LYS 29 0.363 3.153 -17.134 223 HG3 LYS 29 3HG LYS 29 -1.166 2.538 -16.538 224 HD2 LYS 29 2HD LYS 29 -1.864 2.181 -18.982 225 HD3 LYS 29 3HD LYS 29 -0.219 2.579 -19.439 226 HE2 LYS 29 2HE LYS 29 -0.370 0.552 -17.278 227 HE3 LYS 29 3HE LYS 29 -1.138 0.033 -18.765 228 HZ1 LYS 29 1HZ LYS 29 1.125 -0.542 -18.996 229 HZ2 LYS 29 2HZ LYS 29 1.004 0.815 -19.889 230 H TRP 30 HN TRP 30 0.301 7.773 -17.162 231 HA TRP 30 HA TRP 30 -1.853 9.284 -17.679 232 HB2 TRP 30 2HB TRP 30 1.070 9.839 -17.591 233 HB3 TRP 30 3HB TRP 30 0.029 11.102 -18.219 234 HD1 TRP 30 1HD TRP 30 1.569 10.468 -15.108 235 HE1 TRP 30 1HE TRP 30 0.253 11.268 -12.965 236 HE3 TRP 30 3HE TRP 30 -2.943 10.927 -17.406 237 HZ2 TRP 30 2HZ TRP 30 -2.466 11.988 -12.482 238 HZ3 TRP 30 3HZ TRP 30 -4.877 11.684 -16.028 239 HH2 TRP 30 2HH TRP 30 -4.692 12.207 -13.647 240 H ALA 31 HN ALA 31 0.888 8.635 -19.982 241 HA ALA 31 HA ALA 31 -0.401 9.974 -22.125 242 HB1 ALA 31 1HB ALA 31 1.789 9.913 -22.670 243 HB2 ALA 31 2HB ALA 31 2.107 8.551 -21.571 244 HB3 ALA 31 3HB ALA 31 1.491 8.243 -23.212 245 H SER 32 HN SER 32 -0.023 6.524 -21.108 246 HA SER 32 HA SER 32 -1.026 5.246 -23.210 247 HB2 SER 32 2HB SER 32 -0.312 4.335 -20.903 248 HB3 SER 32 3HB SER 32 -1.960 4.625 -20.379 249 HG SER 32 HG SER 32 -2.711 3.186 -22.054 250 H LEU 33 HN LEU 33 -2.761 7.410 -21.004 251 HA LEU 33 HA LEU 33 -5.358 6.615 -21.381 252 HB2 LEU 33 2HB LEU 33 -4.449 8.364 -19.832 253 HB3 LEU 33 3HB LEU 33 -4.373 9.462 -21.195 254 HG LEU 33 HG LEU 33 -6.477 9.214 -19.466 255 HD11 LEU 33 1HD1 LEU 33 -6.708 10.147 -22.337 256 HD12 LEU 33 2HD1 LEU 33 -7.669 10.685 -20.939 257 HD13 LEU 33 3HD1 LEU 33 -5.936 11.076 -21.030 258 HD21 LEU 33 1HD2 LEU 33 -8.343 8.186 -20.623 259 HD22 LEU 33 2HD2 LEU 33 -7.284 7.716 -21.974 260 HD23 LEU 33 3HD2 LEU 33 -7.050 6.989 -20.365 261 H TRP 34 HN TRP 34 -3.548 9.105 -23.320 262 HA TRP 34 HA TRP 34 -5.565 8.789 -25.404 263 HB2 TRP 34 2HB TRP 34 -4.541 10.794 -26.376 264 HB3 TRP 34 3HB TRP 34 -5.138 11.048 -24.748 265 HD1 TRP 34 1HD TRP 34 -1.880 11.061 -26.750 266 HE1 TRP 34 1HE TRP 34 0.134 12.003 -25.330 267 HE3 TRP 34 3HE TRP 34 -4.365 11.154 -22.314 268 HZ2 TRP 34 2HZ TRP 34 0.455 12.668 -22.573 269 HZ3 TRP 34 3HZ TRP 34 -3.129 11.964 -20.308 270 HH2 TRP 34 2HH TRP 34 -0.800 12.705 -20.386 271 H ASN 35 HN ASN 35 -1.956 8.850 -24.941 272 HA ASN 35 HA ASN 35 -1.411 7.904 -27.489 273 HB2 ASN 35 2HB ASN 35 0.089 8.132 -24.880 274 HB3 ASN 35 3HB ASN 35 0.787 7.086 -26.102 275 HD21 ASN 35 1HD2 ASN 35 1.700 9.641 -25.004 276 HD22 ASN 35 2HD2 ASN 35 1.911 10.726 -26.337 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -10.389 -8.301 5.002 2 HA2 GLY 1 1HA GLY 1 -12.794 -7.292 5.664 3 HA3 GLY 1 2HA GLY 1 -11.318 -6.348 5.668 4 H ILE 2 HN ILE 2 -14.033 -5.378 5.099 5 HA ILE 2 HA ILE 2 -13.564 -4.469 2.348 6 HB ILE 2 HB ILE 2 -16.290 -4.956 3.535 7 HG12 ILE 2 2HG1 ILE 2 -14.718 -6.813 1.725 8 HG13 ILE 2 3HG1 ILE 2 -15.026 -7.085 3.429 9 HG21 ILE 2 1HG2 ILE 2 -17.155 -4.330 1.537 10 HG22 ILE 2 2HG2 ILE 2 -15.651 -3.381 1.462 11 HG23 ILE 2 3HG2 ILE 2 -15.763 -4.941 0.611 12 HD11 ILE 2 1HD1 ILE 2 -17.561 -6.476 2.275 13 HD12 ILE 2 2HD1 ILE 2 -16.761 -7.614 1.165 14 HD13 ILE 2 3HD1 ILE 2 -16.993 -8.053 2.875 15 H GLY 3 HN GLY 3 -14.071 -2.264 1.930 16 HA2 GLY 3 1HA GLY 3 -13.533 -0.488 4.010 17 HA3 GLY 3 2HA GLY 3 -14.204 -0.081 2.442 18 H ALA 4 HN ALA 4 -15.586 1.540 3.423 19 HA ALA 4 HA ALA 4 -17.343 0.994 5.516 20 HB1 ALA 4 1HB ALA 4 -18.480 2.943 3.771 21 HB2 ALA 4 2HB ALA 4 -17.546 3.215 5.262 22 HB3 ALA 4 3HB ALA 4 -16.712 3.132 3.692 23 H PHE 5 HN PHE 5 -18.407 1.609 2.107 24 HA PHE 5 HA PHE 5 -20.564 -0.287 2.569 25 HB2 PHE 5 2HB PHE 5 -20.834 2.111 1.648 26 HB3 PHE 5 3HB PHE 5 -19.910 1.619 0.242 27 HD1 PHE 5 1HD PHE 5 -23.135 1.470 1.907 28 HD2 PHE 5 2HD PHE 5 -20.868 0.020 -1.374 29 HE1 PHE 5 1HE PHE 5 -25.245 0.692 0.793 30 HE2 PHE 5 2HE PHE 5 -22.977 -0.758 -2.488 31 HZ PHE 5 HZ PHE 5 -25.141 -0.413 -1.391 32 H GLY 6 HN GLY 6 -18.302 0.541 -0.164 33 HA2 GLY 6 1HA GLY 6 -17.421 -2.137 -0.483 34 HA3 GLY 6 2HA GLY 6 -18.698 -1.779 -1.629 35 H LEU 7 HN LEU 7 -18.414 -0.042 -3.207 36 HA LEU 7 HA LEU 7 -15.675 0.178 -4.013 37 HB2 LEU 7 2HB LEU 7 -17.414 -0.232 -5.635 38 HB3 LEU 7 3HB LEU 7 -18.256 1.233 -5.171 39 HG LEU 7 HG LEU 7 -16.914 1.293 -7.329 40 HD11 LEU 7 1HD1 LEU 7 -17.336 3.261 -5.319 41 HD12 LEU 7 2HD1 LEU 7 -15.738 3.555 -6.047 42 HD13 LEU 7 3HD1 LEU 7 -17.185 3.477 -7.080 43 HD21 LEU 7 1HD2 LEU 7 -14.615 1.289 -5.360 44 HD22 LEU 7 2HD2 LEU 7 -14.919 0.147 -6.690 45 HD23 LEU 7 3HD2 LEU 7 -14.483 1.834 -7.050 46 H LEU 8 HN LEU 8 -17.670 1.833 -1.812 47 HA LEU 8 HA LEU 8 -17.007 4.488 -2.292 48 HB2 LEU 8 2HB LEU 8 -18.531 3.083 -0.493 49 HB3 LEU 8 3HB LEU 8 -17.242 3.698 0.524 50 HG LEU 8 HG LEU 8 -19.062 5.240 0.603 51 HD11 LEU 8 1HD1 LEU 8 -17.329 6.767 -1.266 52 HD12 LEU 8 2HD1 LEU 8 -17.867 7.151 0.387 53 HD13 LEU 8 3HD1 LEU 8 -16.536 5.999 0.131 54 HD21 LEU 8 1HD2 LEU 8 -20.373 4.782 -1.278 55 HD22 LEU 8 2HD2 LEU 8 -19.770 6.434 -1.556 56 HD23 LEU 8 3HD2 LEU 8 -19.023 5.060 -2.405 57 H GLY 9 HN GLY 9 -15.039 1.803 -1.344 58 HA2 GLY 9 1HA GLY 9 -12.679 3.359 -1.351 59 HA3 GLY 9 2HA GLY 9 -13.139 3.002 0.301 60 H PHE 10 HN PHE 10 -13.505 1.052 -2.742 61 HA PHE 10 HA PHE 10 -12.734 -1.317 -1.429 62 HB2 PHE 10 2HB PHE 10 -14.202 -1.278 -3.414 63 HB3 PHE 10 3HB PHE 10 -13.019 -0.373 -4.337 64 HD1 PHE 10 1HD PHE 10 -11.881 -3.135 -2.249 65 HD2 PHE 10 2HD PHE 10 -13.156 -2.022 -6.141 66 HE1 PHE 10 1HE PHE 10 -10.954 -5.280 -3.167 67 HE2 PHE 10 2HE PHE 10 -12.230 -4.167 -7.058 68 HZ PHE 10 HZ PHE 10 -11.139 -5.770 -5.560 69 H LEU 11 HN LEU 11 -11.026 1.050 -3.543 70 HA LEU 11 HA LEU 11 -8.668 -0.555 -3.675 71 HB2 LEU 11 2HB LEU 11 -9.449 2.207 -4.544 72 HB3 LEU 11 3HB LEU 11 -7.764 1.724 -4.553 73 HG LEU 11 HG LEU 11 -8.776 1.462 -6.753 74 HD11 LEU 11 1HD1 LEU 11 -7.432 -0.261 -7.145 75 HD12 LEU 11 2HD1 LEU 11 -7.268 -0.458 -5.384 76 HD13 LEU 11 3HD1 LEU 11 -8.507 -1.379 -6.270 77 HD21 LEU 11 1HD2 LEU 11 -11.075 1.110 -6.255 78 HD22 LEU 11 2HD2 LEU 11 -10.495 -0.342 -7.105 79 HD23 LEU 11 3HD2 LEU 11 -10.720 -0.374 -5.340 80 H ALA 12 HN ALA 12 -9.759 2.351 -1.823 81 HA ALA 12 HA ALA 12 -7.403 2.902 -0.523 82 HB1 ALA 12 1HB ALA 12 -9.410 3.395 1.347 83 HB2 ALA 12 2HB ALA 12 -8.869 4.511 0.072 84 HB3 ALA 12 3HB ALA 12 -10.269 3.449 -0.210 85 H ALA 13 HN ALA 13 -9.658 0.207 -0.125 86 HA ALA 13 HA ALA 13 -9.007 -0.540 2.473 87 HB1 ALA 13 1HB ALA 13 -10.912 -1.420 1.175 88 HB2 ALA 13 2HB ALA 13 -9.785 -2.246 0.071 89 HB3 ALA 13 3HB ALA 13 -9.884 -2.742 1.778 90 H GLY 14 HN GLY 14 -7.463 -1.283 -0.705 91 HA2 GLY 14 1HA GLY 14 -5.543 -3.087 0.351 92 HA3 GLY 14 2HA GLY 14 -5.512 -2.292 -1.211 93 H SER 15 HN SER 15 -5.493 0.443 -0.498 94 HA SER 15 HA SER 15 -2.786 0.634 0.375 95 HB2 SER 15 2HB SER 15 -4.050 1.994 -1.498 96 HB3 SER 15 3HB SER 15 -4.598 2.999 -0.172 97 HG SER 15 HG SER 15 -2.491 3.566 -1.347 98 H LYS 16 HN LYS 16 -5.511 0.115 2.078 99 HA LYS 16 HA LYS 16 -5.769 2.178 3.887 100 HB2 LYS 16 2HB LYS 16 -7.027 0.689 5.172 101 HB3 LYS 16 3HB LYS 16 -7.212 0.092 3.535 102 HG2 LYS 16 2HG LYS 16 -6.653 -1.909 4.545 103 HG3 LYS 16 3HG LYS 16 -5.029 -1.348 4.201 104 HD2 LYS 16 2HD LYS 16 -4.565 -0.869 6.421 105 HD3 LYS 16 3HD LYS 16 -6.209 -0.380 6.776 106 HE2 LYS 16 2HE LYS 16 -5.258 -2.659 7.755 107 HE3 LYS 16 3HE LYS 16 -6.923 -2.563 7.216 108 HZ1 LYS 16 1HZ LYS 16 -4.824 -4.144 6.139 109 HZ2 LYS 16 2HZ LYS 16 -6.415 -4.213 5.798 110 H LYS 17 HN LYS 17 -3.125 -0.029 3.370 111 HA LYS 17 HA LYS 17 -2.021 0.715 5.986 112 HB2 LYS 17 2HB LYS 17 -2.260 -1.796 4.724 113 HB3 LYS 17 3HB LYS 17 -0.563 -1.378 4.614 114 HG2 LYS 17 2HG LYS 17 -0.276 -1.303 6.941 115 HG3 LYS 17 3HG LYS 17 -1.953 -0.896 7.245 116 HD2 LYS 17 2HD LYS 17 -2.658 -3.107 7.177 117 HD3 LYS 17 3HD LYS 17 -1.471 -3.565 5.970 118 HE2 LYS 17 2HE LYS 17 0.030 -4.231 7.552 119 HE3 LYS 17 3HE LYS 17 -0.169 -2.756 8.476 120 HZ1 LYS 17 1HZ LYS 17 -2.310 -4.774 8.566 121 HZ2 LYS 17 2HZ LYS 17 -0.976 -5.007 9.471 122 H21 ACA 18 1HA ACA 18 5.327 0.326 0.748 123 H22 ACA 18 2HA ACA 18 6.335 1.132 1.933 124 H31 ACA 18 2HB ACA 18 4.474 2.454 2.220 125 H32 ACA 18 3HB ACA 18 3.979 1.164 3.298 126 H41 ACA 18 2HG ACA 18 3.291 0.518 0.521 127 H42 ACA 18 3HG ACA 18 2.613 2.066 0.986 128 H51 ACA 18 2HD ACA 18 2.292 0.080 3.127 129 H52 ACA 18 3HD ACA 18 1.588 -0.489 1.628 130 H61 ACA 18 2HE ACA 18 1.112 2.139 2.974 131 H62 ACA 18 3HE ACA 18 0.123 1.872 1.075 132 HN61 ACA 18 HN ACA 18 -0.659 -0.218 2.752 133 H LYS 19 HN LYS 19 6.996 -0.130 3.885 134 HA LYS 19 HA LYS 19 7.473 -2.208 1.965 135 HB2 LYS 19 2HB LYS 19 9.093 -1.484 4.420 136 HB3 LYS 19 3HB LYS 19 9.626 -2.408 3.031 137 HG2 LYS 19 2HG LYS 19 9.730 -0.524 1.632 138 HG3 LYS 19 3HG LYS 19 8.516 0.355 2.540 139 HD2 LYS 19 2HD LYS 19 10.634 1.418 3.008 140 HD3 LYS 19 3HD LYS 19 10.180 0.545 4.457 141 HE2 LYS 19 2HE LYS 19 12.548 0.122 3.982 142 HE3 LYS 19 3HE LYS 19 11.650 -1.366 3.763 143 HZ1 LYS 19 1HZ LYS 19 12.353 0.459 1.527 144 HZ2 LYS 19 2HZ LYS 19 13.207 -0.874 1.909 145 H ASN 20 HN ASN 20 8.899 -3.800 4.207 146 HA ASN 20 HA ASN 20 7.017 -5.760 4.431 147 HB2 ASN 20 2HB ASN 20 8.507 -6.608 6.342 148 HB3 ASN 20 3HB ASN 20 9.351 -6.275 4.843 149 HD21 ASN 20 1HD2 ASN 20 11.080 -5.061 4.918 150 HD22 ASN 20 2HD2 ASN 20 11.537 -3.965 6.180 151 H GLU 21 HN GLU 21 5.664 -6.449 6.271 152 HA GLU 21 HA GLU 21 4.369 -4.375 7.541 153 HB2 GLU 21 2HB GLU 21 3.077 -6.066 8.628 154 HB3 GLU 21 3HB GLU 21 3.519 -6.740 7.072 155 HG2 GLU 21 2HG GLU 21 5.375 -8.009 8.104 156 HG3 GLU 21 3HG GLU 21 5.060 -7.264 9.658 157 HE2 GLU 21 2HE GLU 21 2.755 -10.128 8.135 158 H GLN 22 HN GLN 22 7.170 -6.362 8.491 159 HA GLN 22 HA GLN 22 7.230 -6.093 11.146 160 HB2 GLN 22 2HB GLN 22 9.421 -5.991 9.062 161 HB3 GLN 22 3HB GLN 22 9.832 -5.804 10.755 162 HG2 GLN 22 2HG GLN 22 10.011 -8.136 10.435 163 HG3 GLN 22 3HG GLN 22 8.418 -7.969 11.145 164 HE21 GLN 22 1HE2 GLN 22 6.814 -8.943 10.181 165 HE22 GLN 22 2HE2 GLN 22 6.731 -9.446 8.525 166 H GLU 23 HN GLU 23 8.056 -3.576 8.708 167 HA GLU 23 HA GLU 23 9.164 -1.728 10.370 168 HB2 GLU 23 2HB GLU 23 8.569 -1.810 7.727 169 HB3 GLU 23 3HB GLU 23 7.286 -0.737 8.249 170 HG2 GLU 23 2HG GLU 23 9.195 0.640 7.654 171 HG3 GLU 23 3HG GLU 23 9.014 0.711 9.395 172 HE2 GLU 23 2HE GLU 23 11.185 1.358 8.767 173 H LEU 24 HN LEU 24 5.687 -2.417 9.709 174 HA LEU 24 HA LEU 24 4.694 -0.228 11.163 175 HB2 LEU 24 2HB LEU 24 3.530 -2.852 10.260 176 HB3 LEU 24 3HB LEU 24 2.601 -1.708 11.206 177 HG LEU 24 HG LEU 24 2.385 -1.704 8.627 178 HD11 LEU 24 1HD1 LEU 24 2.097 0.796 8.625 179 HD12 LEU 24 2HD1 LEU 24 1.256 -0.069 9.935 180 HD13 LEU 24 3HD1 LEU 24 2.770 0.805 10.272 181 HD21 LEU 24 1HD2 LEU 24 4.755 -1.684 8.086 182 HD22 LEU 24 2HD2 LEU 24 3.958 -0.221 7.457 183 HD23 LEU 24 3HD2 LEU 24 4.957 -0.129 8.928 184 H LEU 25 HN LEU 25 5.607 -3.590 12.042 185 HA LEU 25 HA LEU 25 4.810 -3.053 14.790 186 HB2 LEU 25 2HB LEU 25 5.963 -5.611 13.708 187 HB3 LEU 25 3HB LEU 25 5.011 -5.368 15.159 188 HG LEU 25 HG LEU 25 3.384 -6.255 13.867 189 HD11 LEU 25 1HD1 LEU 25 1.855 -4.649 13.194 190 HD12 LEU 25 2HD1 LEU 25 2.903 -3.743 14.312 191 HD13 LEU 25 3HD1 LEU 25 3.112 -3.564 12.553 192 HD21 LEU 25 1HD2 LEU 25 3.794 -5.178 11.215 193 HD22 LEU 25 2HD2 LEU 25 5.279 -5.949 11.824 194 HD23 LEU 25 3HD2 LEU 25 3.757 -6.870 11.767 195 H GLU 26 HN GLU 26 7.174 -1.816 13.185 196 HA GLU 26 HA GLU 26 9.528 -2.861 14.118 197 HB2 GLU 26 2HB GLU 26 9.296 -1.109 12.348 198 HB3 GLU 26 3HB GLU 26 8.865 0.067 13.574 199 HG2 GLU 26 2HG GLU 26 11.148 -0.700 14.709 200 HG3 GLU 26 3HG GLU 26 11.535 -1.282 13.102 201 HE2 GLU 26 2HE GLU 26 13.099 0.306 13.152 202 H LEU 27 HN LEU 27 7.219 -0.565 15.644 203 HA LEU 27 HA LEU 27 8.959 -0.173 17.904 204 HB2 LEU 27 2HB LEU 27 6.159 0.744 17.252 205 HB3 LEU 27 3HB LEU 27 6.975 1.120 18.756 206 HG LEU 27 HG LEU 27 6.991 2.679 16.515 207 HD11 LEU 27 1HD1 LEU 27 7.541 3.387 18.789 208 HD12 LEU 27 2HD1 LEU 27 9.122 2.579 18.667 209 HD13 LEU 27 3HD1 LEU 27 8.751 3.969 17.619 210 HD21 LEU 27 1HD2 LEU 27 8.348 1.190 15.203 211 HD22 LEU 27 2HD2 LEU 27 9.311 2.626 15.625 212 HD23 LEU 27 3HD2 LEU 27 9.571 1.094 16.493 213 H ASP 28 HN ASP 28 6.325 -2.297 16.890 214 HA ASP 28 HA ASP 28 5.439 -3.049 19.392 215 HB2 ASP 28 2HB ASP 28 5.229 -3.984 16.621 216 HB3 ASP 28 3HB ASP 28 5.322 -5.346 17.720 217 HD2 ASP 28 2HD ASP 28 1.859 -4.887 17.696 218 H LYS 29 HN LYS 29 8.411 -3.659 17.648 219 HA LYS 29 HA LYS 29 9.024 -6.136 18.954 220 HB2 LYS 29 2HB LYS 29 10.269 -4.368 16.919 221 HB3 LYS 29 3HB LYS 29 11.380 -5.299 17.903 222 HG2 LYS 29 2HG LYS 29 10.810 -6.644 15.962 223 HG3 LYS 29 3HG LYS 29 10.055 -7.383 17.360 224 HD2 LYS 29 2HD LYS 29 7.942 -5.998 16.754 225 HD3 LYS 29 3HD LYS 29 8.728 -5.665 15.224 226 HE2 LYS 29 2HE LYS 29 7.983 -7.659 14.442 227 HE3 LYS 29 3HE LYS 29 9.003 -8.473 15.612 228 HZ1 LYS 29 1HZ LYS 29 6.494 -8.909 15.723 229 HZ2 LYS 29 2HZ LYS 29 7.234 -8.595 17.140 230 H TRP 30 HN TRP 30 8.690 -3.047 20.100 231 HA TRP 30 HA TRP 30 10.901 -2.293 21.415 232 HB2 TRP 30 2HB TRP 30 8.000 -2.213 22.067 233 HB3 TRP 30 3HB TRP 30 9.124 -1.820 23.353 234 HD1 TRP 30 1HD TRP 30 7.151 0.065 21.116 235 HE1 TRP 30 1HE TRP 30 8.148 2.383 20.343 236 HE3 TRP 30 3HE TRP 30 11.948 -0.958 22.456 237 HZ2 TRP 30 2HZ TRP 30 10.774 3.503 20.377 238 HZ3 TRP 30 3HZ TRP 30 13.668 0.802 22.052 239 HH2 TRP 30 2HH TRP 30 13.145 2.970 21.050 240 H ALA 31 HN ALA 31 8.560 -4.870 22.443 241 HA ALA 31 HA ALA 31 10.095 -5.571 24.728 242 HB1 ALA 31 1HB ALA 31 8.475 -7.369 24.941 243 HB2 ALA 31 2HB ALA 31 7.619 -5.885 24.456 244 HB3 ALA 31 3HB ALA 31 7.954 -7.153 23.252 245 H SER 32 HN SER 32 9.757 -6.811 21.357 246 HA SER 32 HA SER 32 11.115 -9.118 21.564 247 HB2 SER 32 2HB SER 32 10.047 -8.249 19.491 248 HB3 SER 32 3HB SER 32 11.328 -7.067 19.315 249 HG SER 32 HG SER 32 12.600 -9.392 19.566 250 H LEU 33 HN LEU 33 12.340 -5.830 21.896 251 HA LEU 33 HA LEU 33 14.989 -6.153 21.234 252 HB2 LEU 33 2HB LEU 33 13.585 -4.094 21.971 253 HB3 LEU 33 3HB LEU 33 14.109 -4.516 23.589 254 HG LEU 33 HG LEU 33 15.797 -3.647 21.243 255 HD11 LEU 33 1HD1 LEU 33 16.030 -2.526 24.000 256 HD12 LEU 33 2HD1 LEU 33 16.225 -1.738 22.415 257 HD13 LEU 33 3HD1 LEU 33 14.596 -2.103 23.034 258 HD21 LEU 33 1HD2 LEU 33 17.781 -4.018 22.745 259 HD22 LEU 33 2HD2 LEU 33 16.719 -4.993 23.790 260 HD23 LEU 33 3HD2 LEU 33 17.017 -5.495 22.109 261 H TRP 34 HN TRP 34 13.466 -6.566 24.511 262 HA TRP 34 HA TRP 34 15.861 -8.011 25.333 263 HB2 TRP 34 2HB TRP 34 14.903 -7.839 27.586 264 HB3 TRP 34 3HB TRP 34 15.157 -6.281 26.824 265 HD1 TRP 34 1HD TRP 34 12.327 -8.547 28.081 266 HE1 TRP 34 1HE TRP 34 10.025 -7.260 28.172 267 HE3 TRP 34 3HE TRP 34 13.960 -4.382 25.663 268 HZ2 TRP 34 2HZ TRP 34 9.164 -4.702 27.244 269 HZ3 TRP 34 3HZ TRP 34 12.326 -2.536 25.296 270 HH2 TRP 34 2HH TRP 34 10.001 -2.648 26.042 271 H ASN 35 HN ASN 35 12.234 -8.343 25.474 272 HA ASN 35 HA ASN 35 12.025 -10.855 26.288 273 HB2 ASN 35 2HB ASN 35 10.108 -9.359 25.651 274 HB3 ASN 35 3HB ASN 35 10.468 -9.617 23.955 275 HD21 ASN 35 1HD2 ASN 35 8.054 -10.211 24.444 276 HD22 ASN 35 2HD2 ASN 35 7.730 -11.903 24.632 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -18.696 -8.969 -4.193 2 HA2 GLY 1 1HA GLY 1 -18.114 -6.780 -2.840 3 HA3 GLY 1 2HA GLY 1 -17.142 -6.498 -4.271 4 H ILE 2 HN ILE 2 -20.382 -6.580 -2.918 5 HA ILE 2 HA ILE 2 -21.508 -6.000 -5.559 6 HB ILE 2 HB ILE 2 -22.785 -6.882 -2.970 7 HG12 ILE 2 2HG1 ILE 2 -23.375 -8.615 -5.129 8 HG13 ILE 2 3HG1 ILE 2 -21.652 -8.301 -5.214 9 HG21 ILE 2 1HG2 ILE 2 -23.950 -5.718 -5.448 10 HG22 ILE 2 2HG2 ILE 2 -24.780 -7.120 -4.733 11 HG23 ILE 2 3HG2 ILE 2 -24.519 -5.651 -3.762 12 HD11 ILE 2 1HD1 ILE 2 -21.216 -9.314 -3.177 13 HD12 ILE 2 2HD1 ILE 2 -22.786 -8.839 -2.486 14 HD13 ILE 2 3HD1 ILE 2 -22.689 -10.212 -3.615 15 H GLY 3 HN GLY 3 -20.143 -3.896 -5.152 16 HA2 GLY 3 1HA GLY 3 -22.041 -1.869 -4.380 17 HA3 GLY 3 2HA GLY 3 -20.673 -1.997 -3.293 18 H ALA 4 HN ALA 4 -21.400 -1.887 -6.855 19 HA ALA 4 HA ALA 4 -18.989 -1.280 -7.861 20 HB1 ALA 4 1HB ALA 4 -21.090 -1.537 -9.148 21 HB2 ALA 4 2HB ALA 4 -21.631 0.058 -8.573 22 HB3 ALA 4 3HB ALA 4 -20.204 -0.071 -9.628 23 H PHE 5 HN PHE 5 -21.135 0.869 -5.957 24 HA PHE 5 HA PHE 5 -19.215 3.034 -6.279 25 HB2 PHE 5 2HB PHE 5 -21.742 3.073 -4.580 26 HB3 PHE 5 3HB PHE 5 -21.050 4.386 -5.511 27 HD1 PHE 5 1HD PHE 5 -21.528 4.624 -7.873 28 HD2 PHE 5 2HD PHE 5 -23.135 1.379 -5.661 29 HE1 PHE 5 1HE PHE 5 -23.138 4.148 -9.740 30 HE2 PHE 5 2HE PHE 5 -24.744 0.903 -7.527 31 HZ PHE 5 HZ PHE 5 -24.727 2.293 -9.544 32 H GLY 6 HN GLY 6 -20.310 0.576 -3.991 33 HA2 GLY 6 1HA GLY 6 -19.218 1.894 -1.668 34 HA3 GLY 6 2HA GLY 6 -19.890 0.279 -1.772 35 H LEU 7 HN LEU 7 -17.683 0.731 -4.337 36 HA LEU 7 HA LEU 7 -15.807 -1.029 -3.082 37 HB2 LEU 7 2HB LEU 7 -15.200 -1.544 -5.157 38 HB3 LEU 7 3HB LEU 7 -16.680 -0.720 -5.608 39 HG LEU 7 HG LEU 7 -13.871 0.409 -5.669 40 HD11 LEU 7 1HD1 LEU 7 -15.567 0.435 -8.084 41 HD12 LEU 7 2HD1 LEU 7 -13.843 0.038 -7.885 42 HD13 LEU 7 3HD1 LEU 7 -15.087 -1.179 -7.509 43 HD21 LEU 7 1HD2 LEU 7 -16.428 1.787 -5.472 44 HD22 LEU 7 2HD2 LEU 7 -14.770 2.419 -5.345 45 HD23 LEU 7 3HD2 LEU 7 -15.531 2.231 -6.944 46 H LEU 8 HN LEU 8 -16.376 2.221 -2.738 47 HA LEU 8 HA LEU 8 -13.870 3.376 -3.098 48 HB2 LEU 8 2HB LEU 8 -16.415 4.134 -2.213 49 HB3 LEU 8 3HB LEU 8 -15.346 4.488 -0.870 50 HG LEU 8 HG LEU 8 -13.886 5.787 -2.449 51 HD11 LEU 8 1HD1 LEU 8 -16.194 5.714 -4.388 52 HD12 LEU 8 2HD1 LEU 8 -14.537 6.317 -4.633 53 HD13 LEU 8 3HD1 LEU 8 -14.837 4.568 -4.496 54 HD21 LEU 8 1HD2 LEU 8 -15.152 7.755 -2.282 55 HD22 LEU 8 2HD2 LEU 8 -16.697 6.883 -2.423 56 HD23 LEU 8 3HD2 LEU 8 -15.721 6.732 -0.941 57 H GLY 9 HN GLY 9 -15.401 2.062 -0.071 58 HA2 GLY 9 1HA GLY 9 -13.179 2.375 1.576 59 HA3 GLY 9 2HA GLY 9 -14.480 1.220 1.797 60 H PHE 10 HN PHE 10 -14.150 -0.334 -0.617 61 HA PHE 10 HA PHE 10 -12.304 -2.192 0.231 62 HB2 PHE 10 2HB PHE 10 -14.199 -2.548 -1.383 63 HB3 PHE 10 3HB PHE 10 -13.431 -1.485 -2.544 64 HD1 PHE 10 1HD PHE 10 -13.111 -2.926 -4.365 65 HD2 PHE 10 2HD PHE 10 -11.785 -4.122 -0.514 66 HE1 PHE 10 1HE PHE 10 -11.928 -4.893 -5.383 67 HE2 PHE 10 2HE PHE 10 -10.603 -6.088 -1.532 68 HZ PHE 10 HZ PHE 10 -10.689 -6.451 -3.954 69 H LEU 11 HN LEU 11 -12.005 0.128 -2.561 70 HA LEU 11 HA LEU 11 -9.367 -0.545 -3.143 71 HB2 LEU 11 2HB LEU 11 -11.208 1.713 -3.769 72 HB3 LEU 11 3HB LEU 11 -9.499 1.938 -4.086 73 HG LEU 11 HG LEU 11 -11.143 1.009 -5.928 74 HD11 LEU 11 1HD1 LEU 11 -8.356 -0.099 -5.487 75 HD12 LEU 11 2HD1 LEU 11 -9.243 -0.088 -7.029 76 HD13 LEU 11 3HD1 LEU 11 -8.771 1.448 -6.264 77 HD21 LEU 11 1HD2 LEU 11 -11.745 -0.926 -4.314 78 HD22 LEU 11 2HD2 LEU 11 -11.479 -1.283 -6.037 79 HD23 LEU 11 3HD2 LEU 11 -10.203 -1.635 -4.848 80 H ALA 12 HN ALA 12 -10.775 2.014 -1.011 81 HA ALA 12 HA ALA 12 -8.467 3.323 -0.343 82 HB1 ALA 12 1HB ALA 12 -10.435 4.284 0.446 83 HB2 ALA 12 2HB ALA 12 -11.072 2.737 1.053 84 HB3 ALA 12 3HB ALA 12 -9.775 3.574 1.938 85 H ALA 13 HN ALA 13 -9.666 0.127 0.696 86 HA ALA 13 HA ALA 13 -7.842 -0.142 2.850 87 HB1 ALA 13 1HB ALA 13 -8.649 -2.409 2.928 88 HB2 ALA 13 2HB ALA 13 -10.034 -1.374 2.508 89 HB3 ALA 13 3HB ALA 13 -9.220 -2.326 1.244 90 H GLY 14 HN GLY 14 -7.861 -1.086 -0.633 91 HA2 GLY 14 1HA GLY 14 -5.453 -2.554 -0.571 92 HA3 GLY 14 2HA GLY 14 -6.227 -1.850 -1.977 93 H SER 15 HN SER 15 -6.222 0.935 -0.869 94 HA SER 15 HA SER 15 -3.850 1.770 -1.955 95 HB2 SER 15 2HB SER 15 -5.733 3.138 0.012 96 HB3 SER 15 3HB SER 15 -4.396 3.968 -0.756 97 HG SER 15 HG SER 15 -6.242 2.528 -2.404 98 H LYS 16 HN LYS 16 -4.527 0.393 1.165 99 HA LYS 16 HA LYS 16 -2.540 1.679 2.676 100 HB2 LYS 16 2HB LYS 16 -3.818 -1.052 3.015 101 HB3 LYS 16 3HB LYS 16 -2.849 -0.232 4.223 102 HG2 LYS 16 2HG LYS 16 -5.393 0.936 2.999 103 HG3 LYS 16 3HG LYS 16 -5.349 0.071 4.522 104 HD2 LYS 16 2HD LYS 16 -3.814 2.637 3.892 105 HD3 LYS 16 3HD LYS 16 -5.259 2.531 4.877 106 HE2 LYS 16 2HE LYS 16 -3.717 0.682 6.168 107 HE3 LYS 16 3HE LYS 16 -2.448 1.709 5.532 108 HZ1 LYS 16 1HZ LYS 16 -2.964 2.794 7.485 109 HZ2 LYS 16 2HZ LYS 16 -3.989 3.590 6.500 110 H LYS 17 HN LYS 17 -2.546 -1.138 0.462 111 HA LYS 17 HA LYS 17 0.335 -1.399 0.955 112 HB2 LYS 17 2HB LYS 17 -0.882 -3.431 1.431 113 HB3 LYS 17 3HB LYS 17 -1.698 -3.373 -0.118 114 HG2 LYS 17 2HG LYS 17 0.137 -4.157 -1.275 115 HG3 LYS 17 3HG LYS 17 1.276 -3.265 -0.286 116 HD2 LYS 17 2HD LYS 17 0.026 -5.248 1.396 117 HD3 LYS 17 3HD LYS 17 0.523 -6.045 -0.083 118 HE2 LYS 17 2HE LYS 17 2.451 -4.161 1.304 119 HE3 LYS 17 3HE LYS 17 2.238 -5.784 1.930 120 HZ1 LYS 17 1HZ LYS 17 4.018 -5.442 0.145 121 HZ2 LYS 17 2HZ LYS 17 3.021 -6.709 -0.077 122 H21 ACA 18 1HA ACA 18 -2.129 -1.369 -8.319 123 H22 ACA 18 2HA ACA 18 -3.594 -0.941 -7.458 124 H31 ACA 18 2HB ACA 18 -2.283 0.383 -5.819 125 H32 ACA 18 3HB ACA 18 -0.806 0.065 -6.708 126 H41 ACA 18 2HG ACA 18 -0.534 -1.924 -5.655 127 H42 ACA 18 3HG ACA 18 -2.119 -2.463 -6.171 128 H51 ACA 18 2HD ACA 18 -2.342 -2.499 -3.831 129 H52 ACA 18 3HD ACA 18 -3.028 -0.936 -4.229 130 H61 ACA 18 2HE ACA 18 -0.120 -1.196 -3.747 131 H62 ACA 18 3HE ACA 18 -1.112 0.696 -3.442 132 HN61 ACA 18 HN ACA 18 -2.090 -1.684 -1.744 133 H LYS 19 HN LYS 19 -1.397 1.808 -7.401 134 HA LYS 19 HA LYS 19 -4.208 2.476 -7.626 135 HB2 LYS 19 2HB LYS 19 -3.174 2.759 -5.464 136 HB3 LYS 19 3HB LYS 19 -1.894 3.746 -6.139 137 HG2 LYS 19 2HG LYS 19 -3.306 5.596 -6.492 138 HG3 LYS 19 3HG LYS 19 -4.753 4.611 -6.591 139 HD2 LYS 19 2HD LYS 19 -5.013 5.555 -4.466 140 HD3 LYS 19 3HD LYS 19 -4.229 4.041 -4.058 141 HE2 LYS 19 2HE LYS 19 -3.023 5.717 -2.842 142 HE3 LYS 19 3HE LYS 19 -1.985 5.294 -4.189 143 HZ1 LYS 19 1HZ LYS 19 -2.596 7.271 -5.324 144 HZ2 LYS 19 2HZ LYS 19 -3.871 7.573 -4.355 145 H ASN 20 HN ASN 20 -1.033 4.108 -8.330 146 HA ASN 20 HA ASN 20 -2.463 5.712 -10.266 147 HB2 ASN 20 2HB ASN 20 -0.046 6.037 -8.588 148 HB3 ASN 20 3HB ASN 20 0.242 6.522 -10.247 149 HD21 ASN 20 1HD2 ASN 20 -2.243 6.784 -7.708 150 HD22 ASN 20 2HD2 ASN 20 -2.664 8.442 -7.982 151 H GLU 21 HN GLU 21 -1.236 6.097 -12.431 152 HA GLU 21 HA GLU 21 -0.644 3.597 -13.554 153 HB2 GLU 21 2HB GLU 21 -0.266 4.871 -15.630 154 HB3 GLU 21 3HB GLU 21 -1.719 5.426 -14.825 155 HG2 GLU 21 2HG GLU 21 -0.128 7.201 -13.690 156 HG3 GLU 21 3HG GLU 21 0.986 6.793 -14.979 157 HE2 GLU 21 2HE GLU 21 -0.343 9.022 -16.936 158 H GLN 22 HN GLN 22 1.297 6.301 -12.269 159 HA GLN 22 HA GLN 22 3.684 5.898 -13.406 160 HB2 GLN 22 2HB GLN 22 2.751 6.852 -10.748 161 HB3 GLN 22 3HB GLN 22 4.431 6.355 -10.790 162 HG2 GLN 22 2HG GLN 22 3.189 8.294 -12.798 163 HG3 GLN 22 3HG GLN 22 4.035 8.806 -11.352 164 HE21 GLN 22 1HE2 GLN 22 5.322 9.903 -13.041 165 HE22 GLN 22 2HE2 GLN 22 6.685 9.078 -13.723 166 H GLU 23 HN GLU 23 2.257 4.018 -10.668 167 HA GLU 23 HA GLU 23 4.416 2.502 -10.040 168 HB2 GLU 23 2HB GLU 23 1.836 2.605 -9.204 169 HB3 GLU 23 3HB GLU 23 1.758 1.117 -10.126 170 HG2 GLU 23 2HG GLU 23 4.189 1.052 -8.576 171 HG3 GLU 23 3HG GLU 23 2.893 1.543 -7.505 172 HE2 GLU 23 2HE GLU 23 3.129 -2.202 -8.654 173 H LEU 24 HN LEU 24 1.938 1.926 -12.616 174 HA LEU 24 HA LEU 24 2.855 -0.546 -13.446 175 HB2 LEU 24 2HB LEU 24 1.031 1.493 -14.336 176 HB3 LEU 24 3HB LEU 24 1.925 0.865 -15.706 177 HG LEU 24 HG LEU 24 -0.254 -0.273 -15.247 178 HD11 LEU 24 1HD1 LEU 24 0.795 -1.746 -16.550 179 HD12 LEU 24 2HD1 LEU 24 2.346 -1.522 -15.706 180 HD13 LEU 24 3HD1 LEU 24 1.135 -2.655 -15.058 181 HD21 LEU 24 1HD2 LEU 24 0.430 -2.115 -13.258 182 HD22 LEU 24 2HD2 LEU 24 0.911 -0.530 -12.607 183 HD23 LEU 24 3HD2 LEU 24 -0.764 -0.799 -13.150 184 H LEU 25 HN LEU 25 3.750 2.765 -14.636 185 HA LEU 25 HA LEU 25 5.647 1.822 -16.469 186 HB2 LEU 25 2HB LEU 25 5.395 4.499 -15.090 187 HB3 LEU 25 3HB LEU 25 6.435 4.164 -16.460 188 HG LEU 25 HG LEU 25 4.705 5.002 -17.631 189 HD11 LEU 25 1HD1 LEU 25 3.759 2.174 -17.123 190 HD12 LEU 25 2HD1 LEU 25 3.038 3.256 -18.338 191 HD13 LEU 25 3HD1 LEU 25 4.746 2.777 -18.475 192 HD21 LEU 25 1HD2 LEU 25 2.287 4.201 -16.325 193 HD22 LEU 25 2HD2 LEU 25 3.402 4.881 -15.117 194 HD23 LEU 25 3HD2 LEU 25 2.958 5.835 -16.553 195 H GLU 26 HN GLU 26 5.610 1.852 -13.031 196 HA GLU 26 HA GLU 26 8.421 2.189 -12.744 197 HB2 GLU 26 2HB GLU 26 6.234 2.417 -11.051 198 HB3 GLU 26 3HB GLU 26 6.946 0.908 -10.515 199 HG2 GLU 26 2HG GLU 26 9.225 2.326 -10.663 200 HG3 GLU 26 3HG GLU 26 8.132 3.683 -10.489 201 HE2 GLU 26 2HE GLU 26 9.841 1.565 -8.472 202 H LEU 27 HN LEU 27 6.053 -0.531 -12.751 203 HA LEU 27 HA LEU 27 8.106 -2.467 -12.237 204 HB2 LEU 27 2HB LEU 27 5.188 -2.683 -12.975 205 HB3 LEU 27 3HB LEU 27 6.224 -4.069 -12.699 206 HG LEU 27 HG LEU 27 4.675 -2.848 -10.809 207 HD11 LEU 27 1HD1 LEU 27 5.620 -5.098 -10.687 208 HD12 LEU 27 2HD1 LEU 27 7.224 -4.415 -10.331 209 HD13 LEU 27 3HD1 LEU 27 5.890 -4.201 -9.173 210 HD21 LEU 27 1HD2 LEU 27 5.977 -0.831 -10.702 211 HD22 LEU 27 2HD2 LEU 27 6.239 -1.761 -9.208 212 HD23 LEU 27 3HD2 LEU 27 7.481 -1.756 -10.483 213 H ASP 28 HN ASP 28 6.611 -0.892 -15.023 214 HA ASP 28 HA ASP 28 7.167 -2.822 -16.912 215 HB2 ASP 28 2HB ASP 28 6.549 0.077 -16.851 216 HB3 ASP 28 3HB ASP 28 7.504 -0.389 -18.244 217 HD2 ASP 28 2HD ASP 28 4.792 -2.875 -18.777 218 H LYS 29 HN LYS 29 9.203 -0.651 -15.071 219 HA LYS 29 HA LYS 29 11.336 -0.544 -16.983 220 HB2 LYS 29 2HB LYS 29 11.101 0.298 -14.083 221 HB3 LYS 29 3HB LYS 29 12.559 0.500 -15.032 222 HG2 LYS 29 2HG LYS 29 9.895 1.542 -16.058 223 HG3 LYS 29 3HG LYS 29 10.840 2.482 -14.919 224 HD2 LYS 29 2HD LYS 29 12.774 2.486 -16.459 225 HD3 LYS 29 3HD LYS 29 11.928 1.431 -17.573 226 HE2 LYS 29 2HE LYS 29 10.728 3.154 -18.476 227 HE3 LYS 29 3HE LYS 29 10.340 3.826 -16.905 228 HZ1 LYS 29 1HZ LYS 29 12.850 4.528 -16.969 229 HZ2 LYS 29 2HZ LYS 29 12.687 4.375 -18.583 230 H TRP 30 HN TRP 30 10.040 -3.046 -15.245 231 HA TRP 30 HA TRP 30 11.945 -4.282 -13.819 232 HB2 TRP 30 2HB TRP 30 9.815 -5.242 -15.661 233 HB3 TRP 30 3HB TRP 30 11.006 -6.412 -15.130 234 HD1 TRP 30 1HD TRP 30 7.715 -5.596 -14.149 235 HE1 TRP 30 1HE TRP 30 7.148 -5.899 -11.589 236 HE3 TRP 30 3HE TRP 30 12.542 -5.694 -12.550 237 HZ2 TRP 30 2HZ TRP 30 8.745 -6.140 -9.237 238 HZ3 TRP 30 3HZ TRP 30 12.951 -5.967 -10.107 239 HH2 TRP 30 2HH TRP 30 11.148 -6.186 -8.471 240 H ALA 31 HN ALA 31 11.626 -4.330 -17.440 241 HA ALA 31 HA ALA 31 14.027 -5.778 -17.807 242 HB1 ALA 31 1HB ALA 31 11.865 -5.259 -19.331 243 HB2 ALA 31 2HB ALA 31 12.955 -3.999 -19.956 244 HB3 ALA 31 3HB ALA 31 13.441 -5.710 -20.024 245 H SER 32 HN SER 32 13.136 -2.304 -17.668 246 HA SER 32 HA SER 32 15.305 -1.158 -18.737 247 HB2 SER 32 2HB SER 32 13.250 -0.075 -17.629 248 HB3 SER 32 3HB SER 32 14.094 -0.230 -16.101 249 HG SER 32 HG SER 32 15.595 1.272 -16.706 250 H LEU 33 HN LEU 33 15.128 -3.109 -15.816 251 HA LEU 33 HA LEU 33 17.513 -2.116 -14.629 252 HB2 LEU 33 2HB LEU 33 15.431 -4.030 -14.046 253 HB3 LEU 33 3HB LEU 33 17.007 -4.722 -13.716 254 HG LEU 33 HG LEU 33 16.081 -2.055 -12.620 255 HD11 LEU 33 1HD1 LEU 33 14.621 -3.828 -11.793 256 HD12 LEU 33 2HD1 LEU 33 16.039 -4.771 -11.276 257 HD13 LEU 33 3HD1 LEU 33 15.676 -3.211 -10.500 258 HD21 LEU 33 1HD2 LEU 33 17.948 -2.578 -10.947 259 HD22 LEU 33 2HD2 LEU 33 18.501 -3.787 -12.132 260 HD23 LEU 33 3HD2 LEU 33 18.423 -2.067 -12.585 261 H TRP 34 HN TRP 34 16.727 -5.255 -16.294 262 HA TRP 34 HA TRP 34 19.573 -5.379 -17.023 263 HB2 TRP 34 2HB TRP 34 19.376 -7.769 -17.052 264 HB3 TRP 34 3HB TRP 34 18.868 -7.151 -15.493 265 HD1 TRP 34 1HD TRP 34 16.266 -7.518 -14.828 266 HE1 TRP 34 1HE TRP 34 14.293 -9.010 -15.745 267 HE3 TRP 34 3HE TRP 34 18.487 -8.653 -19.260 268 HZ2 TRP 34 2HZ TRP 34 13.892 -10.466 -18.168 269 HZ3 TRP 34 3HZ TRP 34 17.235 -10.116 -20.844 270 HH2 TRP 34 2HH TRP 34 15.015 -11.013 -20.358 271 H ASN 35 HN ASN 35 16.237 -6.398 -18.081 272 HA ASN 35 HA ASN 35 15.381 -6.676 -20.064 273 HB2 ASN 35 2HB ASN 35 15.074 -4.352 -20.269 274 HB3 ASN 35 3HB ASN 35 16.793 -4.013 -20.226 275 HD21 ASN 35 1HD2 ASN 35 14.063 -4.907 -22.161 276 HD22 ASN 35 2HD2 ASN 35 14.787 -4.742 -23.726 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -21.449 -10.252 -4.549 2 HA2 GLY 1 1HA GLY 1 -21.339 -9.048 -7.197 3 HA3 GLY 1 2HA GLY 1 -22.256 -8.501 -5.807 4 H ILE 2 HN ILE 2 -20.680 -6.757 -7.456 5 HA ILE 2 HA ILE 2 -18.422 -6.154 -5.683 6 HB ILE 2 HB ILE 2 -17.748 -4.696 -7.689 7 HG12 ILE 2 2HG1 ILE 2 -19.210 -6.616 -9.426 8 HG13 ILE 2 3HG1 ILE 2 -20.169 -5.343 -8.701 9 HG21 ILE 2 1HG2 ILE 2 -17.343 -7.478 -7.053 10 HG22 ILE 2 2HG2 ILE 2 -17.250 -7.228 -8.813 11 HG23 ILE 2 3HG2 ILE 2 -16.203 -6.287 -7.724 12 HD11 ILE 2 1HD1 ILE 2 -17.978 -5.152 -10.728 13 HD12 ILE 2 2HD1 ILE 2 -19.453 -4.171 -10.551 14 HD13 ILE 2 3HD1 ILE 2 -18.042 -3.854 -9.512 15 H GLY 3 HN GLY 3 -19.637 -5.106 -4.042 16 HA2 GLY 3 1HA GLY 3 -21.650 -3.275 -4.338 17 HA3 GLY 3 2HA GLY 3 -20.469 -3.267 -3.044 18 H ALA 4 HN ALA 4 -21.428 -1.859 -6.144 19 HA ALA 4 HA ALA 4 -19.117 -0.393 -6.687 20 HB1 ALA 4 1HB ALA 4 -21.223 -0.875 -8.121 21 HB2 ALA 4 2HB ALA 4 -21.936 0.532 -7.295 22 HB3 ALA 4 3HB ALA 4 -20.461 0.726 -8.273 23 H PHE 5 HN PHE 5 -21.891 0.154 -4.490 24 HA PHE 5 HA PHE 5 -21.121 2.850 -3.938 25 HB2 PHE 5 2HB PHE 5 -22.899 0.881 -2.381 26 HB3 PHE 5 3HB PHE 5 -22.984 2.629 -2.292 27 HD1 PHE 5 1HD PHE 5 -25.241 0.669 -2.943 28 HD2 PHE 5 2HD PHE 5 -22.631 2.933 -5.406 29 HE1 PHE 5 1HE PHE 5 -26.968 0.678 -4.764 30 HE2 PHE 5 2HE PHE 5 -24.358 2.942 -7.227 31 HZ PHE 5 HZ PHE 5 -26.507 1.814 -6.885 32 H GLY 6 HN GLY 6 -19.816 -0.163 -3.091 33 HA2 GLY 6 1HA GLY 6 -18.754 0.930 -0.552 34 HA3 GLY 6 2HA GLY 6 -19.105 -0.766 -0.819 35 H LEU 7 HN LEU 7 -18.051 0.338 -3.793 36 HA LEU 7 HA LEU 7 -15.556 -0.978 -3.523 37 HB2 LEU 7 2HB LEU 7 -17.084 -0.860 -5.546 38 HB3 LEU 7 3HB LEU 7 -16.481 0.765 -5.804 39 HG LEU 7 HG LEU 7 -14.123 -0.364 -5.761 40 HD11 LEU 7 1HD1 LEU 7 -14.115 -2.559 -5.411 41 HD12 LEU 7 2HD1 LEU 7 -15.883 -2.666 -5.589 42 HD13 LEU 7 3HD1 LEU 7 -14.837 -2.744 -7.028 43 HD21 LEU 7 1HD2 LEU 7 -15.188 -1.212 -8.286 44 HD22 LEU 7 2HD2 LEU 7 -15.971 0.309 -7.796 45 HD23 LEU 7 3HD2 LEU 7 -14.197 0.216 -7.900 46 H LEU 8 HN LEU 8 -16.655 2.149 -2.679 47 HA LEU 8 HA LEU 8 -14.361 3.640 -3.353 48 HB2 LEU 8 2HB LEU 8 -16.893 4.131 -2.342 49 HB3 LEU 8 3HB LEU 8 -15.838 4.543 -1.005 50 HG LEU 8 HG LEU 8 -14.628 6.141 -2.377 51 HD11 LEU 8 1HD1 LEU 8 -16.137 4.845 -4.585 52 HD12 LEU 8 2HD1 LEU 8 -15.875 6.602 -4.703 53 HD13 LEU 8 3HD1 LEU 8 -14.484 5.503 -4.546 54 HD21 LEU 8 1HD2 LEU 8 -17.528 6.313 -1.921 55 HD22 LEU 8 2HD2 LEU 8 -16.221 7.439 -1.485 56 HD23 LEU 8 3HD2 LEU 8 -16.901 7.460 -3.130 57 H GLY 9 HN GLY 9 -15.467 2.178 -0.213 58 HA2 GLY 9 1HA GLY 9 -13.009 2.734 1.107 59 HA3 GLY 9 2HA GLY 9 -14.307 1.697 1.661 60 H PHE 10 HN PHE 10 -14.123 0.214 -1.090 61 HA PHE 10 HA PHE 10 -12.449 -1.846 -0.154 62 HB2 PHE 10 2HB PHE 10 -14.529 -1.868 -1.735 63 HB3 PHE 10 3HB PHE 10 -13.471 -1.263 -2.994 64 HD1 PHE 10 1HD PHE 10 -14.895 -4.138 -1.673 65 HD2 PHE 10 2HD PHE 10 -11.227 -2.721 -3.267 66 HE1 PHE 10 1HE PHE 10 -14.236 -6.490 -2.248 67 HE2 PHE 10 2HE PHE 10 -10.568 -5.073 -3.842 68 HZ PHE 10 HZ PHE 10 -12.080 -6.930 -3.327 69 H LEU 11 HN LEU 11 -12.094 0.708 -2.686 70 HA LEU 11 HA LEU 11 -9.586 -0.261 -3.576 71 HB2 LEU 11 2HB LEU 11 -11.337 2.073 -4.064 72 HB3 LEU 11 3HB LEU 11 -9.628 2.321 -4.367 73 HG LEU 11 HG LEU 11 -11.034 1.619 -6.346 74 HD11 LEU 11 1HD1 LEU 11 -8.451 0.483 -5.479 75 HD12 LEU 11 2HD1 LEU 11 -9.247 -0.364 -6.827 76 HD13 LEU 11 3HD1 LEU 11 -8.885 1.373 -6.957 77 HD21 LEU 11 1HD2 LEU 11 -10.848 -1.219 -5.476 78 HD22 LEU 11 2HD2 LEU 11 -12.140 -0.227 -4.759 79 HD23 LEU 11 3HD2 LEU 11 -12.035 -0.409 -6.526 80 H ALA 12 HN ALA 12 -10.646 2.330 -1.288 81 HA ALA 12 HA ALA 12 -8.118 3.330 -0.735 82 HB1 ALA 12 1HB ALA 12 -10.496 4.178 -0.118 83 HB2 ALA 12 2HB ALA 12 -10.343 3.122 1.307 84 HB3 ALA 12 3HB ALA 12 -9.180 4.444 1.050 85 H ALA 13 HN ALA 13 -9.781 0.373 0.314 86 HA ALA 13 HA ALA 13 -8.214 -0.158 2.572 87 HB1 ALA 13 1HB ALA 13 -10.415 -1.218 1.890 88 HB2 ALA 13 2HB ALA 13 -9.506 -2.164 0.688 89 HB3 ALA 13 3HB ALA 13 -9.163 -2.366 2.422 90 H GLY 14 HN GLY 14 -7.838 -0.945 -0.931 91 HA2 GLY 14 1HA GLY 14 -5.719 -2.675 -0.856 92 HA3 GLY 14 2HA GLY 14 -6.001 -1.487 -2.114 93 H SER 15 HN SER 15 -5.728 0.902 -0.416 94 HA SER 15 HA SER 15 -3.002 1.254 -0.666 95 HB2 SER 15 2HB SER 15 -5.032 2.953 -0.446 96 HB3 SER 15 3HB SER 15 -4.644 2.906 1.263 97 HG SER 15 HG SER 15 -2.903 4.110 0.919 98 H LYS 16 HN LYS 16 -5.054 0.163 2.045 99 HA LYS 16 HA LYS 16 -3.131 0.503 4.070 100 HB2 LYS 16 2HB LYS 16 -5.565 -1.293 3.867 101 HB3 LYS 16 3HB LYS 16 -4.613 -1.089 5.324 102 HG2 LYS 16 2HG LYS 16 -5.785 1.299 3.839 103 HG3 LYS 16 3HG LYS 16 -6.713 0.419 5.039 104 HD2 LYS 16 2HD LYS 16 -3.949 1.571 5.620 105 HD3 LYS 16 3HD LYS 16 -5.424 2.478 5.889 106 HE2 LYS 16 2HE LYS 16 -6.233 0.508 7.340 107 HE3 LYS 16 3HE LYS 16 -4.612 -0.145 7.220 108 HZ1 LYS 16 1HZ LYS 16 -4.738 1.194 9.191 109 HZ2 LYS 16 2HZ LYS 16 -3.811 2.028 8.143 110 H LYS 17 HN LYS 17 -3.397 -1.697 1.403 111 HA LYS 17 HA LYS 17 -1.914 -3.798 2.692 112 HB2 LYS 17 2HB LYS 17 -3.723 -3.959 0.811 113 HB3 LYS 17 3HB LYS 17 -2.398 -3.583 -0.272 114 HG2 LYS 17 2HG LYS 17 -1.910 -5.717 1.793 115 HG3 LYS 17 3HG LYS 17 -2.992 -6.119 0.475 116 HD2 LYS 17 2HD LYS 17 -0.539 -4.734 -0.436 117 HD3 LYS 17 3HD LYS 17 -0.199 -6.241 0.391 118 HE2 LYS 17 2HE LYS 17 -2.340 -6.958 -1.237 119 HE3 LYS 17 3HE LYS 17 -1.507 -5.784 -2.237 120 HZ1 LYS 17 1HZ LYS 17 0.520 -7.316 -1.251 121 HZ2 LYS 17 2HZ LYS 17 -0.652 -8.422 -1.490 122 H21 ACA 18 1HA ACA 18 2.759 3.202 -1.402 123 H22 ACA 18 2HA ACA 18 3.535 3.841 0.034 124 H31 ACA 18 2HB ACA 18 2.305 2.235 1.120 125 H32 ACA 18 3HB ACA 18 3.609 1.170 0.631 126 H41 ACA 18 2HG ACA 18 2.374 0.230 -1.140 127 H42 ACA 18 3HG ACA 18 1.340 1.636 -1.308 128 H51 ACA 18 2HD ACA 18 -0.199 0.752 0.105 129 H52 ACA 18 3HD ACA 18 1.004 0.539 1.360 130 H61 ACA 18 2HE ACA 18 0.836 -1.272 -0.995 131 H62 ACA 18 3HE ACA 18 1.922 -1.908 0.756 132 HN61 ACA 18 HN ACA 18 -1.326 -1.349 0.079 133 H LYS 19 HN LYS 19 4.180 0.751 -1.954 134 HA LYS 19 HA LYS 19 5.682 0.475 0.353 135 HB2 LYS 19 2HB LYS 19 5.688 -1.148 -2.207 136 HB3 LYS 19 3HB LYS 19 6.467 -1.647 -0.719 137 HG2 LYS 19 2HG LYS 19 3.952 -0.976 0.210 138 HG3 LYS 19 3HG LYS 19 3.565 -1.549 -1.400 139 HD2 LYS 19 2HD LYS 19 5.289 -3.115 0.575 140 HD3 LYS 19 3HD LYS 19 3.560 -3.348 0.405 141 HE2 LYS 19 2HE LYS 19 4.536 -3.463 -2.245 142 HE3 LYS 19 3HE LYS 19 5.742 -4.320 -1.307 143 HZ1 LYS 19 1HZ LYS 19 3.924 -5.791 -2.012 144 HZ2 LYS 19 2HZ LYS 19 3.971 -5.711 -0.386 145 H ASN 20 HN ASN 20 7.374 -0.279 -2.687 146 HA ASN 20 HA ASN 20 9.529 1.402 -1.710 147 HB2 ASN 20 2HB ASN 20 9.814 -0.563 -4.005 148 HB3 ASN 20 3HB ASN 20 11.030 -0.051 -2.851 149 HD21 ASN 20 1HD2 ASN 20 10.592 -0.612 -0.541 150 HD22 ASN 20 2HD2 ASN 20 9.949 -2.181 -0.188 151 H GLU 21 HN GLU 21 10.870 1.335 -4.403 152 HA GLU 21 HA GLU 21 10.015 3.683 -5.428 153 HB2 GLU 21 2HB GLU 21 11.230 2.966 -7.538 154 HB3 GLU 21 3HB GLU 21 12.157 2.789 -6.062 155 HG2 GLU 21 2HG GLU 21 10.828 0.332 -6.249 156 HG3 GLU 21 3HG GLU 21 11.175 0.710 -7.925 157 HE2 GLU 21 2HE GLU 21 13.918 -0.819 -5.777 158 H GLN 22 HN GLN 22 8.561 0.511 -5.761 159 HA GLN 22 HA GLN 22 7.354 0.498 -8.116 160 HB2 GLN 22 2HB GLN 22 7.027 -0.862 -5.742 161 HB3 GLN 22 3HB GLN 22 5.474 -0.063 -5.877 162 HG2 GLN 22 2HG GLN 22 5.343 -0.945 -8.285 163 HG3 GLN 22 3HG GLN 22 6.770 -1.900 -7.939 164 HE21 GLN 22 1HE2 GLN 22 6.680 -3.294 -5.990 165 HE22 GLN 22 2HE2 GLN 22 5.203 -4.125 -5.629 166 H GLU 23 HN GLU 23 6.097 2.274 -5.204 167 HA GLU 23 HA GLU 23 3.910 3.347 -6.515 168 HB2 GLU 23 2HB GLU 23 4.251 3.238 -4.024 169 HB3 GLU 23 3HB GLU 23 5.445 4.515 -4.151 170 HG2 GLU 23 2HG GLU 23 3.820 6.130 -4.855 171 HG3 GLU 23 3HG GLU 23 2.643 4.899 -5.264 172 HE2 GLU 23 2HE GLU 23 1.210 4.549 -3.779 173 H LEU 24 HN LEU 24 7.305 4.463 -6.162 174 HA LEU 24 HA LEU 24 7.098 7.049 -6.971 175 HB2 LEU 24 2HB LEU 24 9.112 5.209 -6.524 176 HB3 LEU 24 3HB LEU 24 9.337 5.639 -8.208 177 HG LEU 24 HG LEU 24 10.720 7.074 -6.921 178 HD11 LEU 24 1HD1 LEU 24 10.227 8.971 -8.010 179 HD12 LEU 24 2HD1 LEU 24 8.882 8.032 -8.699 180 HD13 LEU 24 3HD1 LEU 24 8.602 9.085 -7.292 181 HD21 LEU 24 1HD2 LEU 24 10.291 7.821 -4.864 182 HD22 LEU 24 2HD2 LEU 24 8.700 8.466 -5.331 183 HD23 LEU 24 3HD2 LEU 24 8.871 6.748 -4.897 184 H LEU 25 HN LEU 25 7.439 4.140 -9.118 185 HA LEU 25 HA LEU 25 7.308 5.514 -11.509 186 HB2 LEU 25 2HB LEU 25 6.348 2.726 -10.848 187 HB3 LEU 25 3HB LEU 25 6.620 3.350 -12.464 188 HG LEU 25 HG LEU 25 8.594 2.281 -12.199 189 HD11 LEU 25 1HD1 LEU 25 10.390 3.766 -11.640 190 HD12 LEU 25 2HD1 LEU 25 9.092 4.718 -12.399 191 HD13 LEU 25 3HD1 LEU 25 9.318 4.769 -10.634 192 HD21 LEU 25 1HD2 LEU 25 8.853 1.120 -10.325 193 HD22 LEU 25 2HD2 LEU 25 9.559 2.575 -9.580 194 HD23 LEU 25 3HD2 LEU 25 7.817 2.248 -9.418 195 H GLU 26 HN GLU 26 4.805 4.741 -9.142 196 HA GLU 26 HA GLU 26 2.654 5.048 -10.921 197 HB2 GLU 26 2HB GLU 26 2.777 3.937 -8.539 198 HB3 GLU 26 3HB GLU 26 2.475 5.555 -7.939 199 HG2 GLU 26 2HG GLU 26 0.577 5.284 -9.984 200 HG3 GLU 26 3HG GLU 26 0.630 3.678 -9.285 201 HE2 GLU 26 2HE GLU 26 -1.565 6.219 -8.194 202 H LEU 27 HN LEU 27 4.488 7.242 -8.745 203 HA LEU 27 HA LEU 27 2.717 9.439 -9.240 204 HB2 LEU 27 2HB LEU 27 5.398 9.205 -7.875 205 HB3 LEU 27 3HB LEU 27 4.508 10.707 -8.015 206 HG LEU 27 HG LEU 27 4.356 8.964 -5.917 207 HD11 LEU 27 1HD1 LEU 27 3.680 11.311 -5.910 208 HD12 LEU 27 2HD1 LEU 27 2.212 10.904 -6.829 209 HD13 LEU 27 3HD1 LEU 27 2.430 10.279 -5.176 210 HD21 LEU 27 1HD2 LEU 27 3.210 7.234 -7.129 211 HD22 LEU 27 2HD2 LEU 27 2.070 7.980 -5.983 212 HD23 LEU 27 3HD2 LEU 27 1.987 8.387 -7.715 213 H ASP 28 HN ASP 28 5.598 8.014 -10.702 214 HA ASP 28 HA ASP 28 6.533 10.257 -12.005 215 HB2 ASP 28 2HB ASP 28 6.809 7.314 -12.222 216 HB3 ASP 28 3HB ASP 28 7.030 8.134 -13.756 217 HD2 ASP 28 2HD ASP 28 9.262 8.942 -13.990 218 H LYS 29 HN LYS 29 3.678 8.279 -12.441 219 HA LYS 29 HA LYS 29 3.344 8.844 -15.231 220 HB2 LYS 29 2HB LYS 29 1.587 7.558 -13.129 221 HB3 LYS 29 3HB LYS 29 1.064 7.810 -14.782 222 HG2 LYS 29 2HG LYS 29 3.668 6.371 -14.124 223 HG3 LYS 29 3HG LYS 29 2.139 5.518 -14.215 224 HD2 LYS 29 2HD LYS 29 1.824 6.417 -16.561 225 HD3 LYS 29 3HD LYS 29 3.411 7.155 -16.459 226 HE2 LYS 29 2HE LYS 29 3.245 4.228 -15.792 227 HE3 LYS 29 3HE LYS 29 3.008 4.664 -17.472 228 HZ1 LYS 29 1HZ LYS 29 5.419 4.323 -16.439 229 HZ2 LYS 29 2HZ LYS 29 5.165 5.375 -17.656 230 H TRP 30 HN TRP 30 3.291 10.790 -12.552 231 HA TRP 30 HA TRP 30 0.988 12.156 -12.431 232 HB2 TRP 30 2HB TRP 30 3.850 12.938 -12.212 233 HB3 TRP 30 3HB TRP 30 2.668 14.229 -12.309 234 HD1 TRP 30 1HD TRP 30 4.436 12.674 -9.681 235 HE1 TRP 30 1HE TRP 30 3.181 12.503 -7.366 236 HE3 TRP 30 3HE TRP 30 -0.225 13.466 -11.553 237 HZ2 TRP 30 2HZ TRP 30 0.442 12.715 -6.595 238 HZ3 TRP 30 3HZ TRP 30 -2.135 13.469 -9.951 239 HH2 TRP 30 2HH TRP 30 -1.859 13.110 -7.549 240 H ALA 31 HN ALA 31 3.632 12.656 -14.878 241 HA ALA 31 HA ALA 31 2.124 14.552 -16.351 242 HB1 ALA 31 1HB ALA 31 4.741 13.930 -16.181 243 HB2 ALA 31 2HB ALA 31 4.325 12.982 -17.629 244 HB3 ALA 31 3HB ALA 31 4.040 14.739 -17.603 245 H SER 32 HN SER 32 2.625 11.000 -16.482 246 HA SER 32 HA SER 32 1.705 10.424 -18.927 247 HB2 SER 32 2HB SER 32 2.468 8.851 -17.033 248 HB3 SER 32 3HB SER 32 0.815 8.891 -16.452 249 HG SER 32 HG SER 32 1.792 7.884 -18.975 250 H LEU 33 HN LEU 33 -0.077 11.824 -16.237 251 HA LEU 33 HA LEU 33 -2.663 11.073 -17.148 252 HB2 LEU 33 2HB LEU 33 -1.466 12.608 -14.970 253 HB3 LEU 33 3HB LEU 33 -2.958 13.315 -15.560 254 HG LEU 33 HG LEU 33 -2.624 10.461 -14.592 255 HD11 LEU 33 1HD1 LEU 33 -4.265 11.420 -12.792 256 HD12 LEU 33 2HD1 LEU 33 -2.511 11.679 -12.640 257 HD13 LEU 33 3HD1 LEU 33 -3.553 12.982 -13.258 258 HD21 LEU 33 1HD2 LEU 33 -4.834 11.880 -15.971 259 HD22 LEU 33 2HD2 LEU 33 -4.403 10.154 -15.951 260 HD23 LEU 33 3HD2 LEU 33 -5.285 10.867 -14.579 261 H TRP 34 HN TRP 34 -0.905 14.259 -17.118 262 HA TRP 34 HA TRP 34 -2.531 14.979 -19.459 263 HB2 TRP 34 2HB TRP 34 -2.318 17.274 -18.798 264 HB3 TRP 34 3HB TRP 34 -2.995 16.337 -17.480 265 HD1 TRP 34 1HD TRP 34 -1.497 16.146 -15.230 266 HE1 TRP 34 1HE TRP 34 0.613 17.409 -14.273 267 HE3 TRP 34 3HE TRP 34 -0.165 18.337 -19.620 268 HZ2 TRP 34 2HZ TRP 34 2.559 19.144 -15.434 269 HZ3 TRP 34 3HZ TRP 34 1.853 19.801 -19.622 270 HH2 TRP 34 2HH TRP 34 3.197 20.218 -17.624 271 H ASN 35 HN ASN 35 0.675 15.573 -17.835 272 HA ASN 35 HA ASN 35 2.644 16.016 -18.657 273 HB2 ASN 35 2HB ASN 35 2.963 13.737 -19.149 274 HB3 ASN 35 3HB ASN 35 1.649 13.693 -20.308 275 HD21 ASN 35 1HD2 ASN 35 4.985 14.474 -19.734 276 HD22 ASN 35 2HD2 ASN 35 5.492 14.665 -21.378 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -23.455 4.382 -4.650 2 HA2 GLY 1 1HA GLY 1 -23.621 1.925 -4.812 3 HA3 GLY 1 2HA GLY 1 -22.134 2.461 -4.057 4 H ILE 2 HN ILE 2 -21.902 0.488 -2.851 5 HA ILE 2 HA ILE 2 -24.020 -0.295 -1.078 6 HB ILE 2 HB ILE 2 -21.203 -1.290 -1.509 7 HG12 ILE 2 2HG1 ILE 2 -23.636 -2.894 -2.146 8 HG13 ILE 2 3HG1 ILE 2 -23.267 -1.547 -3.205 9 HG21 ILE 2 1HG2 ILE 2 -23.173 -1.904 0.600 10 HG22 ILE 2 2HG2 ILE 2 -22.485 -3.320 -0.231 11 HG23 ILE 2 3HG2 ILE 2 -21.409 -2.143 0.559 12 HD11 ILE 2 1HD1 ILE 2 -21.688 -2.805 -4.225 13 HD12 ILE 2 2HD1 ILE 2 -20.785 -2.886 -2.692 14 HD13 ILE 2 3HD1 ILE 2 -21.992 -4.135 -3.082 15 H GLY 3 HN GLY 3 -20.536 0.185 -0.248 16 HA2 GLY 3 1HA GLY 3 -21.393 2.028 1.894 17 HA3 GLY 3 2HA GLY 3 -20.381 0.641 2.246 18 H ALA 4 HN ALA 4 -19.665 3.445 2.656 19 HA ALA 4 HA ALA 4 -18.067 4.421 0.578 20 HB1 ALA 4 1HB ALA 4 -18.051 6.154 2.005 21 HB2 ALA 4 2HB ALA 4 -18.841 5.138 3.234 22 HB3 ALA 4 3HB ALA 4 -17.065 5.217 3.153 23 H PHE 5 HN PHE 5 -17.538 2.015 3.153 24 HA PHE 5 HA PHE 5 -14.703 1.933 2.577 25 HB2 PHE 5 2HB PHE 5 -16.252 -0.056 4.278 26 HB3 PHE 5 3HB PHE 5 -14.658 0.609 4.575 27 HD1 PHE 5 1HD PHE 5 -17.792 0.548 5.868 28 HD2 PHE 5 2HD PHE 5 -14.851 3.386 4.730 29 HE1 PHE 5 1HE PHE 5 -18.784 2.214 7.462 30 HE2 PHE 5 2HE PHE 5 -15.842 5.052 6.324 31 HZ PHE 5 HZ PHE 5 -17.797 4.446 7.671 32 H GLY 6 HN GLY 6 -17.435 0.787 1.054 33 HA2 GLY 6 1HA GLY 6 -16.441 -1.902 0.516 34 HA3 GLY 6 2HA GLY 6 -17.961 -1.200 -0.002 35 H LEU 7 HN LEU 7 -18.140 -0.353 -2.061 36 HA LEU 7 HA LEU 7 -15.915 -0.726 -3.803 37 HB2 LEU 7 2HB LEU 7 -18.573 -0.892 -4.107 38 HB3 LEU 7 3HB LEU 7 -18.340 0.751 -4.673 39 HG LEU 7 HG LEU 7 -16.661 -0.090 -6.319 40 HD11 LEU 7 1HD1 LEU 7 -15.796 -2.119 -6.114 41 HD12 LEU 7 2HD1 LEU 7 -16.910 -2.491 -4.777 42 HD13 LEU 7 3HD1 LEU 7 -17.393 -2.824 -6.457 43 HD21 LEU 7 1HD2 LEU 7 -18.342 -1.188 -7.819 44 HD22 LEU 7 2HD2 LEU 7 -19.475 -1.196 -6.446 45 HD23 LEU 7 3HD2 LEU 7 -18.875 0.348 -7.095 46 H LEU 8 HN LEU 8 -17.707 2.100 -2.436 47 HA LEU 8 HA LEU 8 -16.259 4.042 -3.820 48 HB2 LEU 8 2HB LEU 8 -18.326 3.906 -1.900 49 HB3 LEU 8 3HB LEU 8 -17.089 4.946 -1.221 50 HG LEU 8 HG LEU 8 -18.653 5.310 -3.773 51 HD11 LEU 8 1HD1 LEU 8 -19.883 6.380 -2.201 52 HD12 LEU 8 2HD1 LEU 8 -18.493 6.638 -1.120 53 HD13 LEU 8 3HD1 LEU 8 -18.723 7.687 -2.538 54 HD21 LEU 8 1HD2 LEU 8 -16.961 6.317 -4.790 55 HD22 LEU 8 2HD2 LEU 8 -16.860 7.485 -3.451 56 HD23 LEU 8 3HD2 LEU 8 -15.899 5.989 -3.399 57 H GLY 9 HN GLY 9 -15.304 1.826 -1.357 58 HA2 GLY 9 1HA GLY 9 -12.875 3.443 -0.867 59 HA3 GLY 9 2HA GLY 9 -13.682 2.542 0.401 60 H PHE 10 HN PHE 10 -13.708 1.177 -2.852 61 HA PHE 10 HA PHE 10 -12.551 -1.204 -2.038 62 HB2 PHE 10 2HB PHE 10 -13.936 -0.289 -4.190 63 HB3 PHE 10 3HB PHE 10 -12.333 -0.116 -4.874 64 HD1 PHE 10 1HD PHE 10 -11.313 -1.934 -5.904 65 HD2 PHE 10 2HD PHE 10 -14.534 -2.628 -3.231 66 HE1 PHE 10 1HE PHE 10 -11.323 -4.360 -6.548 67 HE2 PHE 10 2HE PHE 10 -14.545 -5.055 -3.875 68 HZ PHE 10 HZ PHE 10 -12.939 -5.892 -5.525 69 H LEU 11 HN LEU 11 -11.114 1.798 -3.338 70 HA LEU 11 HA LEU 11 -8.581 0.585 -3.847 71 HB2 LEU 11 2HB LEU 11 -9.637 3.398 -3.823 72 HB3 LEU 11 3HB LEU 11 -7.923 3.075 -3.986 73 HG LEU 11 HG LEU 11 -9.481 3.404 -6.090 74 HD11 LEU 11 1HD1 LEU 11 -7.801 1.249 -6.890 75 HD12 LEU 11 2HD1 LEU 11 -7.530 3.001 -7.061 76 HD13 LEU 11 3HD1 LEU 11 -6.965 2.151 -5.603 77 HD21 LEU 11 1HD2 LEU 11 -10.396 1.421 -7.028 78 HD22 LEU 11 2HD2 LEU 11 -9.693 0.406 -5.746 79 HD23 LEU 11 3HD2 LEU 11 -11.010 1.541 -5.362 80 H ALA 12 HN ALA 12 -10.009 2.668 -1.258 81 HA ALA 12 HA ALA 12 -7.684 2.911 0.250 82 HB1 ALA 12 1HB ALA 12 -10.618 3.256 0.626 83 HB2 ALA 12 2HB ALA 12 -9.662 3.037 2.111 84 HB3 ALA 12 3HB ALA 12 -9.278 4.368 0.993 85 H ALA 13 HN ALA 13 -9.982 0.249 -0.179 86 HA ALA 13 HA ALA 13 -9.458 -1.156 2.164 87 HB1 ALA 13 1HB ALA 13 -11.309 -1.589 0.551 88 HB2 ALA 13 2HB ALA 13 -10.119 -2.224 -0.610 89 HB3 ALA 13 3HB ALA 13 -10.384 -3.059 0.939 90 H GLY 14 HN GLY 14 -7.787 -1.090 -1.034 91 HA2 GLY 14 1HA GLY 14 -5.925 -3.142 -0.362 92 HA3 GLY 14 2HA GLY 14 -5.852 -2.032 -1.716 93 H SER 15 HN SER 15 -5.951 0.468 -0.230 94 HA SER 15 HA SER 15 -3.211 0.525 0.537 95 HB2 SER 15 2HB SER 15 -3.365 2.819 0.270 96 HB3 SER 15 3HB SER 15 -4.714 2.325 -0.732 97 HG SER 15 HG SER 15 -4.762 3.928 1.438 98 H LYS 16 HN LYS 16 -5.946 -0.482 2.119 99 HA LYS 16 HA LYS 16 -5.892 0.912 4.535 100 HB2 LYS 16 2HB LYS 16 -7.407 -0.672 5.287 101 HB3 LYS 16 3HB LYS 16 -7.653 -0.704 3.553 102 HG2 LYS 16 2HG LYS 16 -7.471 -2.991 3.995 103 HG3 LYS 16 3HG LYS 16 -5.807 -2.612 3.596 104 HD2 LYS 16 2HD LYS 16 -5.200 -3.419 5.625 105 HD3 LYS 16 3HD LYS 16 -6.005 -2.047 6.360 106 HE2 LYS 16 2HE LYS 16 -8.184 -3.619 5.908 107 HE3 LYS 16 3HE LYS 16 -6.971 -4.874 6.047 108 HZ1 LYS 16 1HZ LYS 16 -7.284 -4.601 8.255 109 HZ2 LYS 16 2HZ LYS 16 -6.385 -3.247 8.140 110 H LYS 17 HN LYS 17 -3.733 -1.470 3.133 111 HA LYS 17 HA LYS 17 -2.371 -1.646 5.732 112 HB2 LYS 17 2HB LYS 17 -3.186 -3.817 5.227 113 HB3 LYS 17 3HB LYS 17 -2.710 -3.704 3.545 114 HG2 LYS 17 2HG LYS 17 -0.313 -3.662 4.196 115 HG3 LYS 17 3HG LYS 17 -0.753 -3.691 5.892 116 HD2 LYS 17 2HD LYS 17 -2.124 -5.888 5.104 117 HD3 LYS 17 3HD LYS 17 -0.898 -5.900 3.852 118 HE2 LYS 17 2HE LYS 17 0.309 -7.070 5.425 119 HE3 LYS 17 3HE LYS 17 0.708 -5.468 6.011 120 HZ1 LYS 17 1HZ LYS 17 -0.112 -6.577 7.888 121 HZ2 LYS 17 2HZ LYS 17 -1.421 -5.733 7.416 122 H21 ACA 18 1HA ACA 18 -0.416 -2.078 -1.935 123 H22 ACA 18 2HA ACA 18 0.687 -1.410 -3.120 124 H31 ACA 18 2HB ACA 18 2.600 -1.820 -1.773 125 H32 ACA 18 3HB ACA 18 1.791 -3.049 -0.821 126 H41 ACA 18 2HG ACA 18 1.083 -0.076 -0.763 127 H42 ACA 18 3HG ACA 18 2.106 -0.874 0.416 128 H51 ACA 18 2HD ACA 18 -0.135 -2.525 0.390 129 H52 ACA 18 3HD ACA 18 -0.847 -0.946 0.126 130 H61 ACA 18 2HE ACA 18 1.098 -1.676 2.278 131 H62 ACA 18 3HE ACA 18 0.384 0.360 2.272 132 HN61 ACA 18 HN ACA 18 -1.495 -2.328 2.278 133 H LYS 19 HN LYS 19 -1.006 -4.388 -2.184 134 HA LYS 19 HA LYS 19 1.455 -5.374 -1.306 135 HB2 LYS 19 2HB LYS 19 -0.601 -5.928 -0.179 136 HB3 LYS 19 3HB LYS 19 -1.263 -6.676 -1.619 137 HG2 LYS 19 2HG LYS 19 0.013 -8.598 -1.385 138 HG3 LYS 19 3HG LYS 19 1.384 -7.742 -0.710 139 HD2 LYS 19 2HD LYS 19 0.410 -9.130 1.043 140 HD3 LYS 19 3HD LYS 19 0.117 -7.450 1.445 141 HE2 LYS 19 2HE LYS 19 -2.191 -7.596 0.567 142 HE3 LYS 19 3HE LYS 19 -1.911 -9.237 0.021 143 HZ1 LYS 19 1HZ LYS 19 -1.307 -9.603 2.531 144 HZ2 LYS 19 2HZ LYS 19 -2.211 -8.272 2.777 145 H ASN 20 HN ASN 20 -0.715 -6.608 -3.954 146 HA ASN 20 HA ASN 20 1.628 -7.948 -5.014 147 HB2 ASN 20 2HB ASN 20 -0.996 -8.366 -6.364 148 HB3 ASN 20 3HB ASN 20 0.181 -9.554 -5.840 149 HD21 ASN 20 1HD2 ASN 20 -0.208 -10.711 -4.097 150 HD22 ASN 20 2HD2 ASN 20 -1.440 -10.422 -2.914 151 H GLU 21 HN GLU 21 1.347 -8.076 -7.667 152 HA GLU 21 HA GLU 21 1.711 -5.449 -8.530 153 HB2 GLU 21 2HB GLU 21 1.985 -6.452 -10.764 154 HB3 GLU 21 3HB GLU 21 2.841 -7.395 -9.561 155 HG2 GLU 21 2HG GLU 21 0.664 -8.839 -9.420 156 HG3 GLU 21 3HG GLU 21 0.196 -8.050 -10.913 157 HE2 GLU 21 2HE GLU 21 2.095 -8.156 -12.572 158 H GLN 22 HN GLN 22 -1.072 -7.670 -8.487 159 HA GLN 22 HA GLN 22 -2.676 -6.725 -10.380 160 HB2 GLN 22 2HB GLN 22 -2.982 -8.258 -8.063 161 HB3 GLN 22 3HB GLN 22 -4.114 -6.945 -7.811 162 HG2 GLN 22 2HG GLN 22 -5.192 -7.388 -9.982 163 HG3 GLN 22 3HG GLN 22 -3.990 -8.600 -10.374 164 HE21 GLN 22 1HE2 GLN 22 -4.679 -10.576 -10.164 165 HE22 GLN 22 2HE2 GLN 22 -5.788 -11.190 -8.984 166 H GLU 23 HN GLU 23 -2.182 -5.215 -7.121 167 HA GLU 23 HA GLU 23 -4.002 -3.215 -7.340 168 HB2 GLU 23 2HB GLU 23 -2.610 -3.794 -5.320 169 HB3 GLU 23 3HB GLU 23 -1.237 -3.001 -6.068 170 HG2 GLU 23 2HG GLU 23 -2.066 -0.885 -5.676 171 HG3 GLU 23 3HG GLU 23 -3.722 -1.356 -5.996 172 HE2 GLU 23 2HE GLU 23 -3.241 -0.487 -2.562 173 H LEU 24 HN LEU 24 -0.517 -3.164 -8.368 174 HA LEU 24 HA LEU 24 -0.434 -0.586 -9.300 175 HB2 LEU 24 2HB LEU 24 1.077 -3.067 -9.659 176 HB3 LEU 24 3HB LEU 24 1.171 -1.995 -11.043 177 HG LEU 24 HG LEU 24 3.016 -1.697 -9.414 178 HD11 LEU 24 1HD1 LEU 24 1.179 0.665 -9.877 179 HD12 LEU 24 2HD1 LEU 24 2.846 0.799 -9.268 180 HD13 LEU 24 3HD1 LEU 24 2.543 0.123 -10.886 181 HD21 LEU 24 1HD2 LEU 24 2.683 -1.537 -7.227 182 HD22 LEU 24 2HD2 LEU 24 1.614 -0.131 -7.446 183 HD23 LEU 24 3HD2 LEU 24 0.943 -1.778 -7.508 184 H LEU 25 HN LEU 25 -1.354 -3.597 -11.107 185 HA LEU 25 HA LEU 25 -1.950 -2.236 -13.484 186 HB2 LEU 25 2HB LEU 25 -2.883 -4.905 -12.419 187 HB3 LEU 25 3HB LEU 25 -3.151 -4.338 -14.055 188 HG LEU 25 HG LEU 25 -1.281 -5.476 -14.526 189 HD11 LEU 25 1HD1 LEU 25 0.821 -4.212 -14.295 190 HD12 LEU 25 2HD1 LEU 25 -0.529 -3.191 -14.848 191 HD13 LEU 25 3HD1 LEU 25 0.018 -3.105 -13.155 192 HD21 LEU 25 1HD2 LEU 25 -1.373 -6.126 -11.902 193 HD22 LEU 25 2HD2 LEU 25 -0.097 -6.663 -13.021 194 HD23 LEU 25 3HD2 LEU 25 0.180 -5.259 -11.962 195 H GLU 26 HN GLU 26 -3.630 -2.564 -10.427 196 HA GLU 26 HA GLU 26 -6.215 -2.193 -11.424 197 HB2 GLU 26 2HB GLU 26 -5.116 -2.807 -8.973 198 HB3 GLU 26 3HB GLU 26 -5.622 -1.153 -8.699 199 HG2 GLU 26 2HG GLU 26 -7.870 -2.026 -9.915 200 HG3 GLU 26 3HG GLU 26 -7.300 -3.575 -9.327 201 HE2 GLU 26 2HE GLU 26 -8.764 -3.765 -7.841 202 H LEU 27 HN LEU 27 -3.637 0.042 -10.260 203 HA LEU 27 HA LEU 27 -5.323 2.339 -10.572 204 HB2 LEU 27 2HB LEU 27 -2.383 1.987 -9.990 205 HB3 LEU 27 3HB LEU 27 -3.168 3.549 -10.109 206 HG LEU 27 HG LEU 27 -2.822 2.121 -7.806 207 HD11 LEU 27 1HD1 LEU 27 -3.302 4.509 -7.979 208 HD12 LEU 27 2HD1 LEU 27 -5.000 4.151 -8.377 209 HD13 LEU 27 3HD1 LEU 27 -4.353 3.727 -6.774 210 HD21 LEU 27 1HD2 LEU 27 -5.647 1.581 -8.758 211 HD22 LEU 27 2HD2 LEU 27 -4.388 0.385 -8.367 212 HD23 LEU 27 3HD2 LEU 27 -5.089 1.395 -7.078 213 H ASP 28 HN ASP 28 -3.096 0.429 -12.539 214 HA ASP 28 HA ASP 28 -2.433 2.368 -14.383 215 HB2 ASP 28 2HB ASP 28 -1.809 -0.263 -14.010 216 HB3 ASP 28 3HB ASP 28 -2.930 -0.432 -15.346 217 HD2 ASP 28 2HD ASP 28 0.389 -0.446 -16.261 218 H LYS 29 HN LYS 29 -5.419 0.679 -13.692 219 HA LYS 29 HA LYS 29 -6.514 0.910 -16.331 220 HB2 LYS 29 2HB LYS 29 -7.321 -0.217 -13.719 221 HB3 LYS 29 3HB LYS 29 -8.638 0.424 -14.681 222 HG2 LYS 29 2HG LYS 29 -7.971 -2.058 -15.069 223 HG3 LYS 29 3HG LYS 29 -8.220 -1.059 -16.487 224 HD2 LYS 29 2HD LYS 29 -5.909 -0.893 -16.954 225 HD3 LYS 29 3HD LYS 29 -5.443 -1.226 -15.297 226 HE2 LYS 29 2HE LYS 29 -6.933 -3.393 -16.763 227 HE3 LYS 29 3HE LYS 29 -5.276 -3.095 -17.247 228 HZ1 LYS 29 1HZ LYS 29 -6.092 -4.535 -15.037 229 HZ2 LYS 29 2HZ LYS 29 -4.562 -4.096 -15.381 230 H TRP 30 HN TRP 30 -5.647 3.182 -14.084 231 HA TRP 30 HA TRP 30 -7.715 4.799 -13.542 232 HB2 TRP 30 2HB TRP 30 -4.866 5.282 -14.252 233 HB3 TRP 30 3HB TRP 30 -5.933 6.672 -14.216 234 HD1 TRP 30 1HD TRP 30 -3.588 5.280 -11.975 235 HE1 TRP 30 1HE TRP 30 -4.121 5.551 -9.405 236 HE3 TRP 30 3HE TRP 30 -8.525 6.337 -12.574 237 HZ2 TRP 30 2HZ TRP 30 -6.495 6.162 -7.944 238 HZ3 TRP 30 3HZ TRP 30 -9.880 6.758 -10.524 239 HH2 TRP 30 2HH TRP 30 -8.940 6.683 -8.269 240 H ALA 31 HN ALA 31 -5.923 4.568 -16.690 241 HA ALA 31 HA ALA 31 -7.604 6.465 -17.971 242 HB1 ALA 31 1HB ALA 31 -5.139 5.458 -18.454 243 HB2 ALA 31 2HB ALA 31 -6.093 4.439 -19.557 244 HB3 ALA 31 3HB ALA 31 -6.143 6.211 -19.716 245 H SER 32 HN SER 32 -7.514 2.888 -17.648 246 HA SER 32 HA SER 32 -9.210 2.144 -19.576 247 HB2 SER 32 2HB SER 32 -9.469 0.154 -18.391 248 HB3 SER 32 3HB SER 32 -8.038 0.809 -17.621 249 HG SER 32 HG SER 32 -10.586 0.370 -16.567 250 H LEU 33 HN LEU 33 -9.910 4.109 -16.745 251 HA LEU 33 HA LEU 33 -12.712 3.624 -16.712 252 HB2 LEU 33 2HB LEU 33 -10.779 5.415 -15.351 253 HB3 LEU 33 3HB LEU 33 -12.439 5.971 -15.428 254 HG LEU 33 HG LEU 33 -11.812 3.197 -14.439 255 HD11 LEU 33 1HD1 LEU 33 -12.139 4.802 -12.170 256 HD12 LEU 33 2HD1 LEU 33 -10.655 3.984 -12.714 257 HD13 LEU 33 3HD1 LEU 33 -10.968 5.669 -13.191 258 HD21 LEU 33 1HD2 LEU 33 -13.923 3.218 -13.509 259 HD22 LEU 33 2HD2 LEU 33 -13.996 4.995 -13.437 260 HD23 LEU 33 3HD2 LEU 33 -14.172 4.159 -14.999 261 H TRP 34 HN TRP 34 -10.734 6.507 -17.723 262 HA TRP 34 HA TRP 34 -12.936 7.154 -19.560 263 HB2 TRP 34 2HB TRP 34 -12.309 9.459 -19.372 264 HB3 TRP 34 3HB TRP 34 -12.617 8.799 -17.778 265 HD1 TRP 34 1HD TRP 34 -10.513 8.698 -16.077 266 HE1 TRP 34 1HE TRP 34 -8.096 9.755 -16.020 267 HE3 TRP 34 3HE TRP 34 -10.428 10.075 -20.971 268 HZ2 TRP 34 2HZ TRP 34 -6.457 11.020 -17.983 269 HZ3 TRP 34 3HZ TRP 34 -8.382 11.216 -21.821 270 HH2 TRP 34 2HH TRP 34 -6.440 11.693 -20.414 271 H ASN 35 HN ASN 35 -9.340 7.483 -19.080 272 HA ASN 35 HA ASN 35 -7.697 7.538 -20.511 273 HB2 ASN 35 2HB ASN 35 -7.766 5.192 -20.698 274 HB3 ASN 35 3HB ASN 35 -9.379 5.188 -21.385 275 HD21 ASN 35 1HD2 ASN 35 -9.670 5.185 -23.524 276 HD22 ASN 35 2HD2 ASN 35 -8.412 5.222 -24.715 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -13.581 -1.643 4.889 2 HA2 GLY 1 1HA GLY 1 -11.550 0.394 5.585 3 HA3 GLY 1 2HA GLY 1 -12.412 0.327 4.061 4 H ILE 2 HN ILE 2 -13.130 2.558 4.505 5 HA ILE 2 HA ILE 2 -15.491 2.529 6.233 6 HB ILE 2 HB ILE 2 -14.219 5.110 6.257 7 HG12 ILE 2 2HG1 ILE 2 -12.557 2.884 7.467 8 HG13 ILE 2 3HG1 ILE 2 -12.155 3.709 5.974 9 HG21 ILE 2 1HG2 ILE 2 -15.935 3.699 7.822 10 HG22 ILE 2 2HG2 ILE 2 -14.424 3.546 8.750 11 HG23 ILE 2 3HG2 ILE 2 -15.057 5.159 8.340 12 HD11 ILE 2 1HD1 ILE 2 -11.155 4.561 8.278 13 HD12 ILE 2 2HD1 ILE 2 -11.680 5.738 7.049 14 HD13 ILE 2 3HD1 ILE 2 -12.735 5.366 8.434 15 H GLY 3 HN GLY 3 -14.815 2.255 3.251 16 HA2 GLY 3 1HA GLY 3 -15.397 4.551 1.829 17 HA3 GLY 3 2HA GLY 3 -15.758 2.913 1.321 18 H ALA 4 HN ALA 4 -17.358 5.369 0.871 19 HA ALA 4 HA ALA 4 -19.460 5.740 2.553 20 HB1 ALA 4 1HB ALA 4 -19.963 7.122 0.858 21 HB2 ALA 4 2HB ALA 4 -18.762 6.304 -0.169 22 HB3 ALA 4 3HB ALA 4 -20.445 5.730 -0.140 23 H PHE 5 HN PHE 5 -19.907 3.750 -0.440 24 HA PHE 5 HA PHE 5 -21.902 2.215 0.966 25 HB2 PHE 5 2HB PHE 5 -20.777 1.803 -1.852 26 HB3 PHE 5 3HB PHE 5 -22.397 1.435 -1.295 27 HD1 PHE 5 1HD PHE 5 -20.349 3.819 -2.937 28 HD2 PHE 5 2HD PHE 5 -23.871 3.448 -0.599 29 HE1 PHE 5 1HE PHE 5 -21.143 6.046 -3.779 30 HE2 PHE 5 2HE PHE 5 -24.664 5.675 -1.440 31 HZ PHE 5 HZ PHE 5 -23.291 6.948 -3.020 32 H GLY 6 HN GLY 6 -19.002 1.402 -1.084 33 HA2 GLY 6 1HA GLY 6 -17.887 -0.383 0.784 34 HA3 GLY 6 2HA GLY 6 -18.889 -1.291 -0.330 35 H LEU 7 HN LEU 7 -18.591 -0.082 -2.775 36 HA LEU 7 HA LEU 7 -15.938 -0.861 -3.455 37 HB2 LEU 7 2HB LEU 7 -18.179 -1.100 -4.753 38 HB3 LEU 7 3HB LEU 7 -17.853 0.534 -5.296 39 HG LEU 7 HG LEU 7 -15.505 -0.476 -5.962 40 HD11 LEU 7 1HD1 LEU 7 -17.264 -2.941 -6.063 41 HD12 LEU 7 2HD1 LEU 7 -15.597 -2.794 -6.668 42 HD13 LEU 7 3HD1 LEU 7 -15.924 -2.672 -4.923 43 HD21 LEU 7 1HD2 LEU 7 -18.000 -1.028 -7.591 44 HD22 LEU 7 2HD2 LEU 7 -17.161 0.538 -7.484 45 HD23 LEU 7 3HD2 LEU 7 -16.336 -0.866 -8.204 46 H LEU 8 HN LEU 8 -17.418 2.049 -2.332 47 HA LEU 8 HA LEU 8 -15.702 3.851 -3.719 48 HB2 LEU 8 2HB LEU 8 -18.031 3.996 -2.183 49 HB3 LEU 8 3HB LEU 8 -16.825 4.845 -1.236 50 HG LEU 8 HG LEU 8 -17.884 6.480 -2.556 51 HD11 LEU 8 1HD1 LEU 8 -15.639 6.238 -4.433 52 HD12 LEU 8 2HD1 LEU 8 -16.040 7.527 -3.272 53 HD13 LEU 8 3HD1 LEU 8 -15.179 6.069 -2.722 54 HD21 LEU 8 1HD2 LEU 8 -18.625 4.524 -4.241 55 HD22 LEU 8 2HD2 LEU 8 -18.702 6.253 -4.653 56 HD23 LEU 8 3HD2 LEU 8 -17.329 5.267 -5.208 57 H GLY 9 HN GLY 9 -15.245 1.581 -1.204 58 HA2 GLY 9 1HA GLY 9 -12.860 3.062 -0.265 59 HA3 GLY 9 2HA GLY 9 -13.843 2.045 0.768 60 H PHE 10 HN PHE 10 -13.695 0.789 -2.436 61 HA PHE 10 HA PHE 10 -12.425 -1.544 -1.653 62 HB2 PHE 10 2HB PHE 10 -13.927 -0.888 -3.716 63 HB3 PHE 10 3HB PHE 10 -12.457 -0.282 -4.452 64 HD1 PHE 10 1HD PHE 10 -11.526 -1.696 -6.001 65 HD2 PHE 10 2HD PHE 10 -13.478 -3.392 -2.637 66 HE1 PHE 10 1HE PHE 10 -11.008 -3.995 -6.861 67 HE2 PHE 10 2HE PHE 10 -12.961 -5.693 -3.497 68 HZ PHE 10 HZ PHE 10 -11.732 -5.967 -5.599 69 H LEU 11 HN LEU 11 -11.145 1.388 -3.344 70 HA LEU 11 HA LEU 11 -8.567 0.297 -3.712 71 HB2 LEU 11 2HB LEU 11 -9.812 3.011 -3.912 72 HB3 LEU 11 3HB LEU 11 -8.066 2.861 -3.942 73 HG LEU 11 HG LEU 11 -9.349 2.936 -6.174 74 HD11 LEU 11 1HD1 LEU 11 -7.041 2.530 -6.254 75 HD12 LEU 11 2HD1 LEU 11 -7.203 0.926 -5.499 76 HD13 LEU 11 3HD1 LEU 11 -7.769 1.185 -7.167 77 HD21 LEU 11 1HD2 LEU 11 -10.055 0.700 -7.016 78 HD22 LEU 11 2HD2 LEU 11 -9.903 0.073 -5.357 79 HD23 LEU 11 3HD2 LEU 11 -11.090 1.348 -5.721 80 H ALA 12 HN ALA 12 -10.095 2.370 -1.187 81 HA ALA 12 HA ALA 12 -7.835 2.988 0.252 82 HB1 ALA 12 1HB ALA 12 -9.874 2.562 2.131 83 HB2 ALA 12 2HB ALA 12 -9.523 4.078 1.268 84 HB3 ALA 12 3HB ALA 12 -10.732 2.943 0.619 85 H ALA 13 HN ALA 13 -9.752 -0.034 0.115 86 HA ALA 13 HA ALA 13 -8.707 -1.272 2.366 87 HB1 ALA 13 1HB ALA 13 -10.664 -2.023 1.002 88 HB2 ALA 13 2HB ALA 13 -9.537 -2.531 -0.280 89 HB3 ALA 13 3HB ALA 13 -9.493 -3.327 1.312 90 H GLY 14 HN GLY 14 -7.493 -1.069 -1.028 91 HA2 GLY 14 1HA GLY 14 -5.287 -2.810 -0.619 92 HA3 GLY 14 2HA GLY 14 -5.528 -1.686 -1.943 93 H SER 15 HN SER 15 -5.863 0.704 -0.178 94 HA SER 15 HA SER 15 -3.075 1.216 0.125 95 HB2 SER 15 2HB SER 15 -3.677 3.403 -0.083 96 HB3 SER 15 3HB SER 15 -5.230 2.762 -0.582 97 HG SER 15 HG SER 15 -4.597 4.220 1.661 98 H LYS 16 HN LYS 16 -5.147 -0.483 1.999 99 HA LYS 16 HA LYS 16 -4.980 0.746 4.513 100 HB2 LYS 16 2HB LYS 16 -5.973 -1.186 5.332 101 HB3 LYS 16 3HB LYS 16 -6.532 -1.134 3.673 102 HG2 LYS 16 2HG LYS 16 -5.775 -3.294 3.591 103 HG3 LYS 16 3HG LYS 16 -4.208 -2.551 3.338 104 HD2 LYS 16 2HD LYS 16 -3.483 -3.548 5.239 105 HD3 LYS 16 3HD LYS 16 -4.570 -2.518 6.149 106 HE2 LYS 16 2HE LYS 16 -5.747 -4.362 6.748 107 HE3 LYS 16 3HE LYS 16 -6.225 -4.563 5.075 108 HZ1 LYS 16 1HZ LYS 16 -5.120 -6.549 5.642 109 HZ2 LYS 16 2HZ LYS 16 -3.981 -5.738 4.809 110 H LYS 17 HN LYS 17 -2.621 -0.829 2.515 111 HA LYS 17 HA LYS 17 -0.957 -1.552 4.772 112 HB2 LYS 17 2HB LYS 17 -0.741 -1.900 1.780 113 HB3 LYS 17 3HB LYS 17 0.620 -2.208 2.839 114 HG2 LYS 17 2HG LYS 17 -1.960 -3.439 3.707 115 HG3 LYS 17 3HG LYS 17 -1.300 -4.075 2.214 116 HD2 LYS 17 2HD LYS 17 0.959 -3.942 3.847 117 HD3 LYS 17 3HD LYS 17 -0.300 -4.366 4.990 118 HE2 LYS 17 2HE LYS 17 -0.936 -6.070 2.931 119 HE3 LYS 17 3HE LYS 17 0.796 -5.949 2.698 120 HZ1 LYS 17 1HZ LYS 17 -0.487 -6.658 5.283 121 HZ2 LYS 17 2HZ LYS 17 0.192 -7.732 4.265 122 H21 ACA 18 1HA ACA 18 2.519 5.089 3.070 123 H22 ACA 18 2HA ACA 18 3.063 3.669 2.199 124 H31 ACA 18 2HB ACA 18 1.724 4.169 0.288 125 H32 ACA 18 3HB ACA 18 1.534 5.850 0.742 126 H41 ACA 18 2HG ACA 18 -0.503 5.174 1.540 127 H42 ACA 18 3HG ACA 18 0.413 4.639 2.936 128 H51 ACA 18 2HD ACA 18 0.075 2.802 0.542 129 H52 ACA 18 3HD ACA 18 -1.209 2.945 1.726 130 H61 ACA 18 2HE ACA 18 1.534 1.887 1.963 131 H62 ACA 18 3HE ACA 18 0.921 2.680 3.873 132 HN61 ACA 18 HN ACA 18 -0.628 0.544 1.816 133 H LYS 19 HN LYS 19 4.861 3.948 0.535 134 HA LYS 19 HA LYS 19 6.255 5.774 2.364 135 HB2 LYS 19 2HB LYS 19 6.478 2.754 2.227 136 HB3 LYS 19 3HB LYS 19 7.607 3.783 3.086 137 HG2 LYS 19 2HG LYS 19 5.945 4.517 4.644 138 HG3 LYS 19 3HG LYS 19 4.623 3.992 3.620 139 HD2 LYS 19 2HD LYS 19 4.894 2.414 5.485 140 HD3 LYS 19 3HD LYS 19 5.282 1.610 3.977 141 HE2 LYS 19 2HE LYS 19 7.432 1.223 4.624 142 HE3 LYS 19 3HE LYS 19 7.666 2.892 5.104 143 HZ1 LYS 19 1HZ LYS 19 7.829 1.570 7.064 144 HZ2 LYS 19 2HZ LYS 19 6.380 2.303 7.181 145 H ASN 20 HN ASN 20 7.729 2.994 0.725 146 HA ASN 20 HA ASN 20 9.000 4.917 -1.062 147 HB2 ASN 20 2HB ASN 20 10.074 2.673 0.608 148 HB3 ASN 20 3HB ASN 20 10.731 2.758 -1.015 149 HD21 ASN 20 1HD2 ASN 20 12.707 3.523 -0.686 150 HD22 ASN 20 2HD2 ASN 20 13.108 5.033 0.062 151 H GLU 21 HN GLU 21 9.207 1.309 -0.930 152 HA GLU 21 HA GLU 21 8.519 1.177 -3.685 153 HB2 GLU 21 2HB GLU 21 8.846 -1.315 -3.314 154 HB3 GLU 21 3HB GLU 21 10.233 -0.322 -2.914 155 HG2 GLU 21 2HG GLU 21 8.526 -0.526 -0.575 156 HG3 GLU 21 3HG GLU 21 8.813 -2.137 -1.204 157 HE2 GLU 21 2HE GLU 21 12.400 -1.482 -1.009 158 H GLN 22 HN GLN 22 6.940 0.616 -0.544 159 HA GLN 22 HA GLN 22 4.899 -0.998 -1.219 160 HB2 GLN 22 2HB GLN 22 5.538 0.746 0.915 161 HB3 GLN 22 3HB GLN 22 3.928 1.226 0.417 162 HG2 GLN 22 2HG GLN 22 3.129 -0.538 1.597 163 HG3 GLN 22 3HG GLN 22 3.815 -1.584 0.372 164 HE21 GLN 22 1HE2 GLN 22 6.467 -1.387 0.690 165 HE22 GLN 22 2HE2 GLN 22 6.981 -1.954 2.245 166 H GLU 23 HN GLU 23 5.120 2.577 -1.734 167 HA GLU 23 HA GLU 23 2.546 2.808 -2.774 168 HB2 GLU 23 2HB GLU 23 4.092 4.657 -1.880 169 HB3 GLU 23 3HB GLU 23 4.918 4.603 -3.425 170 HG2 GLU 23 2HG GLU 23 2.855 5.186 -4.620 171 HG3 GLU 23 3HG GLU 23 1.909 5.047 -3.151 172 HE2 GLU 23 2HE GLU 23 2.745 8.574 -3.671 173 H LEU 24 HN LEU 24 5.755 2.125 -4.236 174 HA LEU 24 HA LEU 24 5.246 2.514 -6.870 175 HB2 LEU 24 2HB LEU 24 7.301 1.578 -5.491 176 HB3 LEU 24 3HB LEU 24 6.679 0.034 -6.038 177 HG LEU 24 HG LEU 24 8.270 0.569 -7.638 178 HD11 LEU 24 1HD1 LEU 24 7.118 0.805 -9.682 179 HD12 LEU 24 2HD1 LEU 24 5.963 0.038 -8.566 180 HD13 LEU 24 3HD1 LEU 24 5.823 1.772 -8.937 181 HD21 LEU 24 1HD2 LEU 24 8.542 2.784 -8.681 182 HD22 LEU 24 2HD2 LEU 24 7.246 3.421 -7.641 183 HD23 LEU 24 3HD2 LEU 24 8.761 2.833 -6.915 184 H LEU 25 HN LEU 25 4.403 -0.402 -4.894 185 HA LEU 25 HA LEU 25 3.246 -1.809 -7.013 186 HB2 LEU 25 2HB LEU 25 2.766 -1.955 -4.035 187 HB3 LEU 25 3HB LEU 25 2.170 -3.121 -5.199 188 HG LEU 25 HG LEU 25 4.029 -4.274 -4.776 189 HD11 LEU 25 1HD1 LEU 25 4.565 -3.355 -6.998 190 HD12 LEU 25 2HD1 LEU 25 5.459 -2.026 -6.222 191 HD13 LEU 25 3HD1 LEU 25 6.022 -3.705 -6.038 192 HD21 LEU 25 1HD2 LEU 25 6.109 -2.790 -3.809 193 HD22 LEU 25 2HD2 LEU 25 4.705 -1.842 -3.264 194 HD23 LEU 25 3HD2 LEU 25 4.848 -3.559 -2.816 195 H GLU 26 HN GLU 26 2.059 0.776 -4.873 196 HA GLU 26 HA GLU 26 -0.642 0.392 -5.392 197 HB2 GLU 26 2HB GLU 26 0.758 1.975 -3.699 198 HB3 GLU 26 3HB GLU 26 0.397 3.171 -4.929 199 HG2 GLU 26 2HG GLU 26 -2.073 2.180 -4.751 200 HG3 GLU 26 3HG GLU 26 -1.521 1.601 -3.191 201 HE2 GLU 26 2HE GLU 26 -1.394 4.982 -4.774 202 H LEU 27 HN LEU 27 1.929 2.281 -7.059 203 HA LEU 27 HA LEU 27 0.071 3.416 -8.920 204 HB2 LEU 27 2HB LEU 27 3.085 3.377 -8.761 205 HB3 LEU 27 3HB LEU 27 2.190 4.190 -10.029 206 HG LEU 27 HG LEU 27 3.032 5.338 -7.698 207 HD11 LEU 27 1HD1 LEU 27 2.374 6.505 -9.740 208 HD12 LEU 27 2HD1 LEU 27 0.661 6.182 -9.386 209 HD13 LEU 27 3HD1 LEU 27 1.609 7.232 -8.308 210 HD21 LEU 27 1HD2 LEU 27 0.983 5.835 -6.377 211 HD22 LEU 27 2HD2 LEU 27 0.125 4.583 -7.307 212 HD23 LEU 27 3HD2 LEU 27 1.509 4.138 -6.279 213 H ASP 28 HN ASP 28 2.032 0.494 -8.629 214 HA ASP 28 HA ASP 28 2.231 -0.119 -11.309 215 HB2 ASP 28 2HB ASP 28 3.150 -1.249 -9.042 216 HB3 ASP 28 3HB ASP 28 1.762 -2.295 -9.272 217 HD2 ASP 28 2HD ASP 28 3.834 -4.300 -10.955 218 H LYS 29 HN LYS 29 -0.469 -0.076 -9.083 219 HA LYS 29 HA LYS 29 -2.027 -2.050 -10.459 220 HB2 LYS 29 2HB LYS 29 -2.659 -0.062 -8.262 221 HB3 LYS 29 3HB LYS 29 -3.836 -1.180 -8.921 222 HG2 LYS 29 2HG LYS 29 -1.181 -2.308 -8.043 223 HG3 LYS 29 3HG LYS 29 -2.303 -1.808 -6.792 224 HD2 LYS 29 2HD LYS 29 -3.566 -3.399 -8.962 225 HD3 LYS 29 3HD LYS 29 -2.335 -4.273 -8.074 226 HE2 LYS 29 2HE LYS 29 -4.315 -2.683 -6.457 227 HE3 LYS 29 3HE LYS 29 -4.907 -4.137 -7.235 228 HZ1 LYS 29 1HZ LYS 29 -3.227 -5.422 -6.105 229 HZ2 LYS 29 2HZ LYS 29 -2.490 -4.097 -5.510 230 H TRP 30 HN TRP 30 -0.925 0.938 -11.371 231 HA TRP 30 HA TRP 30 -2.966 2.487 -12.159 232 HB2 TRP 30 2HB TRP 30 -0.326 1.809 -13.352 233 HB3 TRP 30 3HB TRP 30 -1.458 2.695 -14.354 234 HD1 TRP 30 1HD TRP 30 1.334 3.577 -12.385 235 HE1 TRP 30 1HE TRP 30 1.248 5.947 -11.227 236 HE3 TRP 30 3HE TRP 30 -3.691 4.207 -12.852 237 HZ2 TRP 30 2HZ TRP 30 -0.863 7.778 -10.651 238 HZ3 TRP 30 3HZ TRP 30 -4.684 6.314 -11.965 239 HH2 TRP 30 2HH TRP 30 -3.357 8.065 -10.895 240 H ALA 31 HN ALA 31 -1.698 -0.421 -13.936 241 HA ALA 31 HA ALA 31 -3.675 -0.331 -15.932 242 HB1 ALA 31 1HB ALA 31 -2.448 -2.941 -15.173 243 HB2 ALA 31 2HB ALA 31 -2.554 -2.145 -16.762 244 HB3 ALA 31 3HB ALA 31 -1.319 -1.629 -15.587 245 H SER 32 HN SER 32 -3.430 -1.937 -12.723 246 HA SER 32 HA SER 32 -5.450 -3.684 -12.858 247 HB2 SER 32 2HB SER 32 -4.925 -3.846 -10.670 248 HB3 SER 32 3HB SER 32 -3.965 -2.387 -10.811 249 HG SER 32 HG SER 32 -6.340 -2.759 -9.501 250 H LEU 33 HN LEU 33 -5.637 -0.174 -13.006 251 HA LEU 33 HA LEU 33 -8.369 0.022 -12.236 252 HB2 LEU 33 2HB LEU 33 -6.450 1.895 -13.616 253 HB3 LEU 33 3HB LEU 33 -8.113 2.321 -13.265 254 HG LEU 33 HG LEU 33 -6.341 1.355 -11.040 255 HD11 LEU 33 1HD1 LEU 33 -4.873 2.966 -11.792 256 HD12 LEU 33 2HD1 LEU 33 -6.167 4.003 -12.441 257 HD13 LEU 33 3HD1 LEU 33 -5.900 3.906 -10.683 258 HD21 LEU 33 1HD2 LEU 33 -8.502 1.597 -10.265 259 HD22 LEU 33 2HD2 LEU 33 -7.791 3.181 -9.872 260 HD23 LEU 33 3HD2 LEU 33 -8.835 3.005 -11.303 261 H TRP 34 HN TRP 34 -6.684 0.400 -15.440 262 HA TRP 34 HA TRP 34 -9.213 -0.459 -16.671 263 HB2 TRP 34 2HB TRP 34 -8.613 0.820 -18.605 264 HB3 TRP 34 3HB TRP 34 -8.589 1.850 -17.188 265 HD1 TRP 34 1HD TRP 34 -6.195 2.901 -16.492 266 HE1 TRP 34 1HE TRP 34 -3.836 3.131 -17.653 267 HE3 TRP 34 3HE TRP 34 -7.091 -0.492 -20.172 268 HZ2 TRP 34 2HZ TRP 34 -2.637 1.896 -19.928 269 HZ3 TRP 34 3HZ TRP 34 -5.273 -0.922 -21.823 270 HH2 TRP 34 2HH TRP 34 -3.107 0.208 -21.743 271 H ASN 35 HN ASN 35 -5.598 -0.432 -17.132 272 HA ASN 35 HA ASN 35 -4.261 -1.851 -18.103 273 HB2 ASN 35 2HB ASN 35 -4.323 -3.244 -16.209 274 HB3 ASN 35 3HB ASN 35 -6.038 -3.564 -16.368 275 HD21 ASN 35 1HD2 ASN 35 -6.785 -5.173 -17.694 276 HD22 ASN 35 2HD2 ASN 35 -5.773 -6.388 -18.402 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 -18.764 0.701 9.302 2 HA2 GLY 1 1HA GLY 1 -16.956 -1.413 10.006 3 HA3 GLY 1 2HA GLY 1 -18.688 -1.349 10.266 4 H ILE 2 HN ILE 2 -20.164 -1.969 8.521 5 HA ILE 2 HA ILE 2 -18.811 -3.650 6.526 6 HB ILE 2 HB ILE 2 -21.605 -4.055 7.569 7 HG12 ILE 2 2HG1 ILE 2 -19.093 -5.376 8.639 8 HG13 ILE 2 3HG1 ILE 2 -19.959 -4.089 9.454 9 HG21 ILE 2 1HG2 ILE 2 -20.638 -5.080 5.368 10 HG22 ILE 2 2HG2 ILE 2 -19.782 -6.176 6.479 11 HG23 ILE 2 3HG2 ILE 2 -21.560 -6.099 6.499 12 HD11 ILE 2 1HD1 ILE 2 -20.627 -6.950 9.245 13 HD12 ILE 2 2HD1 ILE 2 -21.193 -5.738 10.417 14 HD13 ILE 2 3HD1 ILE 2 -22.000 -5.893 8.838 15 H GLY 3 HN GLY 3 -18.897 -2.858 4.500 16 HA2 GLY 3 1HA GLY 3 -21.358 -1.500 3.648 17 HA3 GLY 3 2HA GLY 3 -19.833 -0.650 3.503 18 H ALA 4 HN ALA 4 -21.642 -3.588 2.489 19 HA ALA 4 HA ALA 4 -19.725 -4.579 0.719 20 HB1 ALA 4 1HB ALA 4 -22.759 -4.778 0.554 21 HB2 ALA 4 2HB ALA 4 -21.573 -5.896 -0.161 22 HB3 ALA 4 3HB ALA 4 -21.736 -5.784 1.608 23 H PHE 5 HN PHE 5 -22.166 -1.986 0.464 24 HA PHE 5 HA PHE 5 -21.786 -1.746 -2.375 25 HB2 PHE 5 2HB PHE 5 -23.029 0.308 -0.491 26 HB3 PHE 5 3HB PHE 5 -23.526 -0.086 -2.124 27 HD1 PHE 5 1HD PHE 5 -24.165 -2.762 -2.307 28 HD2 PHE 5 2HD PHE 5 -24.525 -0.308 1.136 29 HE1 PHE 5 1HE PHE 5 -25.933 -4.295 -1.399 30 HE2 PHE 5 2HE PHE 5 -26.292 -1.842 2.044 31 HZ PHE 5 HZ PHE 5 -26.975 -3.817 0.766 32 H GLY 6 HN GLY 6 -19.905 -0.947 0.290 33 HA2 GLY 6 1HA GLY 6 -19.115 1.712 -0.468 34 HA3 GLY 6 2HA GLY 6 -18.389 0.680 0.748 35 H LEU 7 HN LEU 7 -18.888 0.523 -2.859 36 HA LEU 7 HA LEU 7 -16.535 -0.929 -3.299 37 HB2 LEU 7 2HB LEU 7 -18.676 0.283 -4.842 38 HB3 LEU 7 3HB LEU 7 -17.128 0.450 -5.646 39 HG LEU 7 HG LEU 7 -16.783 -1.989 -5.513 40 HD11 LEU 7 1HD1 LEU 7 -19.511 -2.747 -4.884 41 HD12 LEU 7 2HD1 LEU 7 -17.973 -3.347 -4.218 42 HD13 LEU 7 3HD1 LEU 7 -18.739 -1.898 -3.523 43 HD21 LEU 7 1HD2 LEU 7 -19.375 -1.102 -6.807 44 HD22 LEU 7 2HD2 LEU 7 -17.746 -1.091 -7.527 45 HD23 LEU 7 3HD2 LEU 7 -18.539 -2.638 -7.145 46 H LEU 8 HN LEU 8 -17.235 2.533 -2.930 47 HA LEU 8 HA LEU 8 -14.860 3.473 -4.099 48 HB2 LEU 8 2HB LEU 8 -17.180 4.525 -2.892 49 HB3 LEU 8 3HB LEU 8 -15.828 5.163 -1.979 50 HG LEU 8 HG LEU 8 -16.313 6.743 -3.669 51 HD11 LEU 8 1HD1 LEU 8 -14.213 7.110 -4.388 52 HD12 LEU 8 2HD1 LEU 8 -13.832 5.693 -3.382 53 HD13 LEU 8 3HD1 LEU 8 -14.068 5.500 -5.135 54 HD21 LEU 8 1HD2 LEU 8 -16.034 5.791 -6.169 55 HD22 LEU 8 2HD2 LEU 8 -16.718 4.351 -5.375 56 HD23 LEU 8 3HD2 LEU 8 -17.598 5.898 -5.325 57 H GLY 9 HN GLY 9 -15.498 1.707 -1.196 58 HA2 GLY 9 1HA GLY 9 -13.124 2.715 0.175 59 HA3 GLY 9 2HA GLY 9 -14.309 1.578 0.786 60 H PHE 10 HN PHE 10 -14.027 0.267 -2.125 61 HA PHE 10 HA PHE 10 -12.455 -1.859 -1.325 62 HB2 PHE 10 2HB PHE 10 -14.190 -1.370 -3.320 63 HB3 PHE 10 3HB PHE 10 -12.755 -0.915 -4.216 64 HD1 PHE 10 1HD PHE 10 -14.590 -3.688 -2.705 65 HD2 PHE 10 2HD PHE 10 -11.107 -2.585 -4.862 66 HE1 PHE 10 1HE PHE 10 -14.186 -6.097 -3.284 67 HE2 PHE 10 2HE PHE 10 -10.703 -4.993 -5.441 68 HZ PHE 10 HZ PHE 10 -12.247 -6.721 -4.646 69 H LEU 11 HN LEU 11 -11.604 1.196 -2.980 70 HA LEU 11 HA LEU 11 -8.996 0.296 -3.705 71 HB2 LEU 11 2HB LEU 11 -10.422 2.942 -3.716 72 HB3 LEU 11 3HB LEU 11 -8.710 2.832 -4.070 73 HG LEU 11 HG LEU 11 -10.183 2.898 -6.078 74 HD11 LEU 11 1HD1 LEU 11 -8.566 1.856 -7.193 75 HD12 LEU 11 2HD1 LEU 11 -7.896 1.382 -5.614 76 HD13 LEU 11 3HD1 LEU 11 -8.989 0.279 -6.484 77 HD21 LEU 11 1HD2 LEU 11 -11.611 1.136 -6.691 78 HD22 LEU 11 2HD2 LEU 11 -10.975 0.060 -5.423 79 HD23 LEU 11 3HD2 LEU 11 -11.983 1.461 -4.981 80 H ALA 12 HN ALA 12 -10.428 2.305 -1.066 81 HA ALA 12 HA ALA 12 -8.127 3.139 0.148 82 HB1 ALA 12 1HB ALA 12 -10.476 3.772 0.734 83 HB2 ALA 12 2HB ALA 12 -10.679 2.181 1.507 84 HB3 ALA 12 3HB ALA 12 -9.496 3.341 2.156 85 H ALA 13 HN ALA 13 -9.514 -0.108 -0.056 86 HA ALA 13 HA ALA 13 -8.222 -1.239 2.151 87 HB1 ALA 13 1HB ALA 13 -8.917 -2.602 -0.475 88 HB2 ALA 13 2HB ALA 13 -8.830 -3.332 1.146 89 HB3 ALA 13 3HB ALA 13 -10.129 -2.180 0.757 90 H GLY 14 HN GLY 14 -7.238 -0.757 -1.289 91 HA2 GLY 14 1HA GLY 14 -4.944 -2.219 -1.421 92 HA3 GLY 14 2HA GLY 14 -5.181 -0.671 -2.208 93 H SER 15 HN SER 15 -5.471 0.942 0.230 94 HA SER 15 HA SER 15 -2.732 1.354 0.702 95 HB2 SER 15 2HB SER 15 -5.250 2.534 1.944 96 HB3 SER 15 3HB SER 15 -3.641 3.062 2.396 97 HG SER 15 HG SER 15 -3.337 4.014 0.442 98 H LYS 16 HN LYS 16 -5.399 -0.302 2.401 99 HA LYS 16 HA LYS 16 -4.192 -0.476 4.917 100 HB2 LYS 16 2HB LYS 16 -6.283 -2.162 3.519 101 HB3 LYS 16 3HB LYS 16 -5.792 -2.435 5.179 102 HG2 LYS 16 2HG LYS 16 -6.717 0.301 4.205 103 HG3 LYS 16 3HG LYS 16 -7.848 -0.902 4.791 104 HD2 LYS 16 2HD LYS 16 -5.449 -0.294 6.513 105 HD3 LYS 16 3HD LYS 16 -6.712 0.918 6.431 106 HE2 LYS 16 2HE LYS 16 -8.184 -1.421 6.781 107 HE3 LYS 16 3HE LYS 16 -6.744 -1.756 7.723 108 HZ1 LYS 16 1HZ LYS 16 -7.108 0.453 8.818 109 HZ2 LYS 16 2HZ LYS 16 -8.532 0.593 8.040 110 H LYS 17 HN LYS 17 -3.394 -1.910 1.869 111 HA LYS 17 HA LYS 17 -1.935 -4.066 3.200 112 HB2 LYS 17 2HB LYS 17 -2.977 -3.628 0.421 113 HB3 LYS 17 3HB LYS 17 -1.587 -4.671 0.651 114 HG2 LYS 17 2HG LYS 17 -2.796 -6.180 2.061 115 HG3 LYS 17 3HG LYS 17 -4.074 -5.019 2.363 116 HD2 LYS 17 2HD LYS 17 -4.941 -5.235 0.114 117 HD3 LYS 17 3HD LYS 17 -3.514 -6.095 -0.432 118 HE2 LYS 17 2HE LYS 17 -4.079 -8.056 0.887 119 HE3 LYS 17 3HE LYS 17 -5.332 -7.194 1.756 120 HZ1 LYS 17 1HZ LYS 17 -6.514 -6.949 -0.406 121 HZ2 LYS 17 2HZ LYS 17 -5.384 -7.866 -1.137 122 H21 ACA 18 1HA ACA 18 2.758 -1.010 -3.467 123 H22 ACA 18 2HA ACA 18 1.772 -0.232 -4.689 124 H31 ACA 18 2HB ACA 18 0.319 0.226 -2.990 125 H32 ACA 18 3HB ACA 18 1.442 1.492 -2.540 126 H41 ACA 18 2HG ACA 18 2.455 0.177 -0.841 127 H42 ACA 18 3HG ACA 18 1.899 -1.332 -1.538 128 H51 ACA 18 2HD ACA 18 -0.490 -0.610 -0.997 129 H52 ACA 18 3HD ACA 18 0.177 0.767 -0.144 130 H61 ACA 18 2HE ACA 18 1.362 -1.826 0.483 131 H62 ACA 18 3HE ACA 18 1.073 -0.326 2.008 132 HN61 ACA 18 HN ACA 18 -1.406 -1.669 0.513 133 H LYS 19 HN LYS 19 2.939 1.406 -5.936 134 HA LYS 19 HA LYS 19 5.512 0.312 -5.099 135 HB2 LYS 19 2HB LYS 19 4.451 -0.799 -6.975 136 HB3 LYS 19 3HB LYS 19 4.266 0.718 -7.832 137 HG2 LYS 19 2HG LYS 19 6.946 0.825 -7.394 138 HG3 LYS 19 3HG LYS 19 6.747 -0.916 -7.371 139 HD2 LYS 19 2HD LYS 19 5.724 0.887 -9.615 140 HD3 LYS 19 3HD LYS 19 7.256 0.037 -9.665 141 HE2 LYS 19 2HE LYS 19 6.267 -1.988 -10.105 142 HE3 LYS 19 3HE LYS 19 4.972 -1.718 -8.957 143 HZ1 LYS 19 1HZ LYS 19 3.743 -1.426 -10.824 144 HZ2 LYS 19 2HZ LYS 19 4.382 0.070 -10.892 145 H ASN 20 HN ASN 20 4.588 2.789 -7.577 146 HA ASN 20 HA ASN 20 6.936 4.184 -7.278 147 HB2 ASN 20 2HB ASN 20 4.964 4.296 -9.082 148 HB3 ASN 20 3HB ASN 20 4.354 5.583 -8.060 149 HD21 ASN 20 1HD2 ASN 20 6.971 4.494 -10.100 150 HD22 ASN 20 2HD2 ASN 20 7.735 6.025 -10.365 151 H GLU 21 HN GLU 21 7.609 5.591 -5.645 152 HA GLU 21 HA GLU 21 6.212 5.965 -3.359 153 HB2 GLU 21 2HB GLU 21 7.815 7.859 -2.921 154 HB3 GLU 21 3HB GLU 21 8.594 6.387 -3.463 155 HG2 GLU 21 2HG GLU 21 8.663 7.287 -5.800 156 HG3 GLU 21 3HG GLU 21 7.887 8.760 -5.255 157 HE2 GLU 21 2HE GLU 21 10.435 10.111 -5.440 158 H GLN 22 HN GLN 22 6.208 7.951 -6.350 159 HA GLN 22 HA GLN 22 5.013 10.195 -5.474 160 HB2 GLN 22 2HB GLN 22 5.757 9.409 -7.873 161 HB3 GLN 22 3HB GLN 22 4.093 8.891 -8.049 162 HG2 GLN 22 2HG GLN 22 4.591 11.675 -7.001 163 HG3 GLN 22 3HG GLN 22 4.881 11.382 -8.704 164 HE21 GLN 22 1HE2 GLN 22 3.236 11.198 -10.087 165 HE22 GLN 22 2HE2 GLN 22 1.554 11.263 -9.676 166 H GLU 23 HN GLU 23 3.508 6.999 -6.116 167 HA GLU 23 HA GLU 23 0.892 7.709 -6.091 168 HB2 GLU 23 2HB GLU 23 2.021 5.393 -6.421 169 HB3 GLU 23 3HB GLU 23 1.925 5.224 -4.679 170 HG2 GLU 23 2HG GLU 23 -0.642 6.022 -5.206 171 HG3 GLU 23 3HG GLU 23 -0.271 5.210 -6.713 172 HE2 GLU 23 2HE GLU 23 -0.499 2.108 -5.423 173 H LEU 24 HN LEU 24 3.119 7.184 -3.308 174 HA LEU 24 HA LEU 24 1.117 7.416 -1.338 175 HB2 LEU 24 2HB LEU 24 4.100 7.465 -1.416 176 HB3 LEU 24 3HB LEU 24 3.292 8.037 0.030 177 HG LEU 24 HG LEU 24 3.918 5.714 0.278 178 HD11 LEU 24 1HD1 LEU 24 1.154 5.023 0.112 179 HD12 LEU 24 2HD1 LEU 24 2.117 5.466 1.543 180 HD13 LEU 24 3HD1 LEU 24 1.281 6.729 0.607 181 HD21 LEU 24 1HD2 LEU 24 3.851 5.222 -2.205 182 HD22 LEU 24 2HD2 LEU 24 3.220 3.947 -1.134 183 HD23 LEU 24 3HD2 LEU 24 2.094 5.000 -2.024 184 H LEU 25 HN LEU 25 3.319 9.751 -2.969 185 HA LEU 25 HA LEU 25 2.152 11.906 -1.408 186 HB2 LEU 25 2HB LEU 25 4.260 12.125 -3.547 187 HB3 LEU 25 3HB LEU 25 3.882 13.265 -2.271 188 HG LEU 25 HG LEU 25 5.749 12.363 -1.365 189 HD11 LEU 25 1HD1 LEU 25 5.244 10.932 0.415 190 HD12 LEU 25 2HD1 LEU 25 3.703 11.748 0.056 191 HD13 LEU 25 3HD1 LEU 25 3.979 10.080 -0.502 192 HD21 LEU 25 1HD2 LEU 25 6.879 10.660 -2.259 193 HD22 LEU 25 2HD2 LEU 25 5.533 9.521 -2.010 194 HD23 LEU 25 3HD2 LEU 25 5.562 10.564 -3.452 195 H GLU 26 HN GLU 26 0.713 10.173 -3.523 196 HA GLU 26 HA GLU 26 0.311 11.872 -5.718 197 HB2 GLU 26 2HB GLU 26 -0.090 9.447 -5.843 198 HB3 GLU 26 3HB GLU 26 -1.350 9.558 -4.631 199 HG2 GLU 26 2HG GLU 26 -2.667 11.060 -6.151 200 HG3 GLU 26 3HG GLU 26 -1.414 10.916 -7.367 201 HE2 GLU 26 2HE GLU 26 -1.383 7.850 -6.262 202 H LEU 27 HN LEU 27 -1.365 11.351 -2.579 203 HA LEU 27 HA LEU 27 -3.509 13.113 -3.254 204 HB2 LEU 27 2HB LEU 27 -2.620 11.830 -0.672 205 HB3 LEU 27 3HB LEU 27 -4.036 12.853 -0.811 206 HG LEU 27 HG LEU 27 -4.011 10.131 -1.060 207 HD11 LEU 27 1HD1 LEU 27 -5.957 11.530 -0.595 208 HD12 LEU 27 2HD1 LEU 27 -6.001 12.056 -2.295 209 HD13 LEU 27 3HD1 LEU 27 -6.306 10.352 -1.883 210 HD21 LEU 27 1HD2 LEU 27 -2.843 10.094 -3.158 211 HD22 LEU 27 2HD2 LEU 27 -4.541 9.642 -3.444 212 HD23 LEU 27 3HD2 LEU 27 -3.972 11.276 -3.864 213 H ASP 28 HN ASP 28 -0.262 13.382 -1.899 214 HA ASP 28 HA ASP 28 -0.601 15.746 -0.520 215 HB2 ASP 28 2HB ASP 28 1.433 14.117 -0.653 216 HB3 ASP 28 3HB ASP 28 1.900 15.002 -2.091 217 HD2 ASP 28 2HD ASP 28 3.518 17.286 -0.681 218 H LYS 29 HN LYS 29 -0.585 14.976 -3.933 219 HA LYS 29 HA LYS 29 0.282 17.558 -4.821 220 HB2 LYS 29 2HB LYS 29 -0.550 14.985 -6.061 221 HB3 LYS 29 3HB LYS 29 -0.818 16.430 -7.014 222 HG2 LYS 29 2HG LYS 29 1.491 15.236 -7.230 223 HG3 LYS 29 3HG LYS 29 1.481 16.982 -7.083 224 HD2 LYS 29 2HD LYS 29 2.201 16.934 -4.824 225 HD3 LYS 29 3HD LYS 29 1.655 15.288 -4.577 226 HE2 LYS 29 2HE LYS 29 3.448 14.563 -6.285 227 HE3 LYS 29 3HE LYS 29 4.071 16.198 -6.202 228 HZ1 LYS 29 1HZ LYS 29 3.778 14.402 -3.853 229 HZ2 LYS 29 2HZ LYS 29 5.184 14.712 -4.613 230 H TRP 30 HN TRP 30 -2.420 16.568 -3.184 231 HA TRP 30 HA TRP 30 -4.635 17.332 -4.487 232 HB2 TRP 30 2HB TRP 30 -3.736 17.562 -1.659 233 HB3 TRP 30 3HB TRP 30 -5.188 18.431 -2.116 234 HD1 TRP 30 1HD TRP 30 -4.534 15.358 -0.508 235 HE1 TRP 30 1HE TRP 30 -6.274 13.421 -0.934 236 HE3 TRP 30 3HE TRP 30 -6.615 17.427 -4.662 237 HZ2 TRP 30 2HZ TRP 30 -8.281 12.981 -2.915 238 HZ3 TRP 30 3HZ TRP 30 -8.459 16.179 -5.781 239 HH2 TRP 30 2HH TRP 30 -9.296 14.029 -4.973 240 H ALA 31 HN ALA 31 -2.463 19.589 -2.624 241 HA ALA 31 HA ALA 31 -3.718 21.924 -3.424 242 HB1 ALA 31 1HB ALA 31 -1.749 21.285 -1.696 243 HB2 ALA 31 2HB ALA 31 -0.754 21.922 -3.028 244 HB3 ALA 31 3HB ALA 31 -2.006 22.945 -2.285 245 H SER 32 HN SER 32 -1.161 19.940 -4.990 246 HA SER 32 HA SER 32 -0.263 21.628 -6.860 247 HB2 SER 32 2HB SER 32 0.082 19.006 -6.399 248 HB3 SER 32 3HB SER 32 -1.010 18.852 -7.760 249 HG SER 32 HG SER 32 1.602 20.051 -7.671 250 H LEU 33 HN LEU 33 -3.507 20.308 -6.545 251 HA LEU 33 HA LEU 33 -4.271 20.708 -9.253 252 HB2 LEU 33 2HB LEU 33 -5.268 19.331 -7.120 253 HB3 LEU 33 3HB LEU 33 -6.350 20.709 -7.168 254 HG LEU 33 HG LEU 33 -7.064 20.199 -9.391 255 HD11 LEU 33 1HD1 LEU 33 -4.600 18.558 -9.463 256 HD12 LEU 33 2HD1 LEU 33 -6.016 17.884 -10.304 257 HD13 LEU 33 3HD1 LEU 33 -5.403 19.495 -10.746 258 HD21 LEU 33 1HD2 LEU 33 -8.443 18.550 -8.778 259 HD22 LEU 33 2HD2 LEU 33 -7.107 17.411 -8.480 260 HD23 LEU 33 3HD2 LEU 33 -7.570 18.587 -7.226 261 H TRP 34 HN TRP 34 -5.128 22.455 -6.178 262 HA TRP 34 HA TRP 34 -5.527 24.841 -7.850 263 HB2 TRP 34 2HB TRP 34 -7.115 25.613 -6.234 264 HB3 TRP 34 3HB TRP 34 -7.572 24.015 -6.789 265 HD1 TRP 34 1HD TRP 34 -7.565 22.040 -4.944 266 HE1 TRP 34 1HE TRP 34 -7.423 21.930 -2.310 267 HE3 TRP 34 3HE TRP 34 -5.971 26.826 -4.305 268 HZ2 TRP 34 2HZ TRP 34 -6.677 23.815 -0.301 269 HZ3 TRP 34 3HZ TRP 34 -5.559 27.612 -1.976 270 HH2 TRP 34 2HH TRP 34 -5.887 26.193 -0.013 271 H ASN 35 HN ASN 35 -4.597 23.740 -4.504 272 HA ASN 35 HA ASN 35 -3.235 24.598 -3.035 273 HB2 ASN 35 2HB ASN 35 -1.398 23.677 -4.180 274 HB3 ASN 35 3HB ASN 35 -1.676 24.636 -5.619 275 HD21 ASN 35 1HD2 ASN 35 -0.646 24.799 -2.240 276 HD22 ASN 35 2HD2 ASN 35 0.442 26.139 -2.394 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -9.475 -3.943 0.468 2 HA2 GLY 1 1HA GLY 1 -11.165 -5.154 -0.380 3 HA3 GLY 1 2HA GLY 1 -10.108 -6.548 -0.290 4 H ILE 2 HN ILE 2 -12.553 -4.610 1.463 5 HA ILE 2 HA ILE 2 -12.747 -6.739 3.459 6 HB ILE 2 HB ILE 2 -14.217 -5.046 4.623 7 HG12 ILE 2 2HG1 ILE 2 -12.947 -3.027 2.771 8 HG13 ILE 2 3HG1 ILE 2 -14.528 -3.705 2.442 9 HG21 ILE 2 1HG2 ILE 2 -11.683 -3.640 4.548 10 HG22 ILE 2 2HG2 ILE 2 -12.412 -4.616 5.844 11 HG23 ILE 2 3HG2 ILE 2 -11.447 -5.403 4.573 12 HD11 ILE 2 1HD1 ILE 2 -14.700 -1.573 3.708 13 HD12 ILE 2 2HD1 ILE 2 -15.352 -2.935 4.649 14 HD13 ILE 2 3HD1 ILE 2 -13.739 -2.284 5.027 15 H GLY 3 HN GLY 3 -14.474 -5.031 0.838 16 HA2 GLY 3 1HA GLY 3 -16.272 -7.256 0.543 17 HA3 GLY 3 2HA GLY 3 -17.054 -5.825 1.186 18 H ALA 4 HN ALA 4 -16.836 -7.391 -1.597 19 HA ALA 4 HA ALA 4 -15.770 -5.588 -3.441 20 HB1 ALA 4 1HB ALA 4 -16.770 -6.987 -5.059 21 HB2 ALA 4 2HB ALA 4 -16.479 -8.072 -3.678 22 HB3 ALA 4 3HB ALA 4 -18.112 -7.432 -3.976 23 H PHE 5 HN PHE 5 -18.639 -5.481 -1.465 24 HA PHE 5 HA PHE 5 -20.073 -3.742 -3.246 25 HB2 PHE 5 2HB PHE 5 -20.507 -4.227 -0.252 26 HB3 PHE 5 3HB PHE 5 -21.730 -3.850 -1.449 27 HD1 PHE 5 1HD PHE 5 -20.130 -6.439 0.358 28 HD2 PHE 5 2HD PHE 5 -22.120 -5.629 -3.301 29 HE1 PHE 5 1HE PHE 5 -20.604 -8.887 0.074 30 HE2 PHE 5 2HE PHE 5 -22.593 -8.077 -3.586 31 HZ PHE 5 HZ PHE 5 -21.830 -9.677 -1.894 32 H GLY 6 HN GLY 6 -17.605 -3.452 -0.794 33 HA2 GLY 6 1HA GLY 6 -18.288 -0.735 -0.058 34 HA3 GLY 6 2HA GLY 6 -16.910 -1.679 0.472 35 H LEU 7 HN LEU 7 -18.234 -0.368 -2.660 36 HA LEU 7 HA LEU 7 -15.587 -0.065 -3.701 37 HB2 LEU 7 2HB LEU 7 -18.303 -0.038 -4.667 38 HB3 LEU 7 3HB LEU 7 -17.437 1.361 -5.270 39 HG LEU 7 HG LEU 7 -16.048 -1.267 -5.482 40 HD11 LEU 7 1HD1 LEU 7 -17.299 -2.148 -7.216 41 HD12 LEU 7 2HD1 LEU 7 -18.557 -1.536 -6.117 42 HD13 LEU 7 3HD1 LEU 7 -18.109 -0.601 -7.564 43 HD21 LEU 7 1HD2 LEU 7 -16.350 0.965 -7.501 44 HD22 LEU 7 2HD2 LEU 7 -15.098 0.938 -6.236 45 HD23 LEU 7 3HD2 LEU 7 -15.140 -0.340 -7.474 46 H LEU 8 HN LEU 8 -17.556 1.693 -1.525 47 HA LEU 8 HA LEU 8 -17.183 4.309 -2.206 48 HB2 LEU 8 2HB LEU 8 -17.680 2.772 0.241 49 HB3 LEU 8 3HB LEU 8 -16.889 4.309 0.527 50 HG LEU 8 HG LEU 8 -19.379 4.121 -1.169 51 HD11 LEU 8 1HD1 LEU 8 -20.730 4.601 0.800 52 HD12 LEU 8 2HD1 LEU 8 -19.879 3.048 0.982 53 HD13 LEU 8 3HD1 LEU 8 -19.289 4.492 1.838 54 HD21 LEU 8 1HD2 LEU 8 -18.588 6.445 0.555 55 HD22 LEU 8 2HD2 LEU 8 -17.778 6.184 -1.008 56 HD23 LEU 8 3HD2 LEU 8 -19.542 6.408 -0.948 57 H GLY 9 HN GLY 9 -14.811 1.920 -1.153 58 HA2 GLY 9 1HA GLY 9 -12.646 3.607 -1.886 59 HA3 GLY 9 2HA GLY 9 -12.801 3.534 -0.142 60 H PHE 10 HN PHE 10 -13.370 1.064 -2.752 61 HA PHE 10 HA PHE 10 -12.329 -1.028 -1.232 62 HB2 PHE 10 2HB PHE 10 -13.862 -1.216 -3.215 63 HB3 PHE 10 3HB PHE 10 -12.628 -0.534 -4.255 64 HD1 PHE 10 1HD PHE 10 -10.413 -1.864 -4.452 65 HD2 PHE 10 2HD PHE 10 -14.022 -3.526 -2.962 66 HE1 PHE 10 1HE PHE 10 -9.554 -4.170 -4.946 67 HE2 PHE 10 2HE PHE 10 -13.163 -5.833 -3.456 68 HZ PHE 10 HZ PHE 10 -10.940 -6.127 -4.442 69 H LEU 11 HN LEU 11 -10.840 1.193 -3.641 70 HA LEU 11 HA LEU 11 -8.382 -0.255 -3.683 71 HB2 LEU 11 2HB LEU 11 -9.293 2.409 -4.747 72 HB3 LEU 11 3HB LEU 11 -7.622 1.890 -4.858 73 HG LEU 11 HG LEU 11 -8.679 1.414 -6.939 74 HD11 LEU 11 1HD1 LEU 11 -8.751 -1.346 -5.847 75 HD12 LEU 11 2HD1 LEU 11 -7.868 -0.676 -7.241 76 HD13 LEU 11 3HD1 LEU 11 -7.254 -0.419 -5.590 77 HD21 LEU 11 1HD2 LEU 11 -10.815 -0.050 -5.365 78 HD22 LEU 11 2HD2 LEU 11 -11.002 1.472 -6.269 79 HD23 LEU 11 3HD2 LEU 11 -10.664 -0.043 -7.139 80 H ALA 12 HN ALA 12 -9.619 2.747 -2.095 81 HA ALA 12 HA ALA 12 -7.185 3.399 -0.865 82 HB1 ALA 12 1HB ALA 12 -8.765 4.732 0.658 83 HB2 ALA 12 2HB ALA 12 -8.857 5.081 -1.084 84 HB3 ALA 12 3HB ALA 12 -10.095 4.061 -0.314 85 H ALA 13 HN ALA 13 -9.735 1.051 -0.151 86 HA ALA 13 HA ALA 13 -8.939 0.703 2.578 87 HB1 ALA 13 1HB ALA 13 -10.585 -1.111 2.532 88 HB2 ALA 13 2HB ALA 13 -11.258 0.338 1.747 89 HB3 ALA 13 3HB ALA 13 -10.671 -1.019 0.757 90 H GLY 14 HN GLY 14 -8.416 -0.960 -0.584 91 HA2 GLY 14 1HA GLY 14 -7.067 -3.206 0.354 92 HA3 GLY 14 2HA GLY 14 -6.884 -2.472 -1.227 93 H SER 15 HN SER 15 -5.959 0.165 -0.221 94 HA SER 15 HA SER 15 -3.263 -0.324 -0.248 95 HB2 SER 15 2HB SER 15 -3.058 1.967 -0.201 96 HB3 SER 15 3HB SER 15 -4.778 1.885 -0.524 97 HG SER 15 HG SER 15 -5.249 2.321 1.632 98 H LYS 16 HN LYS 16 -5.570 -0.663 2.324 99 HA LYS 16 HA LYS 16 -4.042 -0.016 4.544 100 HB2 LYS 16 2HB LYS 16 -5.661 -1.181 5.797 101 HB3 LYS 16 3HB LYS 16 -6.520 -0.532 4.413 102 HG2 LYS 16 2HG LYS 16 -7.279 -2.662 4.109 103 HG3 LYS 16 3HG LYS 16 -5.698 -2.983 3.424 104 HD2 LYS 16 2HD LYS 16 -6.115 -4.674 5.114 105 HD3 LYS 16 3HD LYS 16 -4.870 -3.607 5.735 106 HE2 LYS 16 2HE LYS 16 -7.709 -2.860 6.376 107 HE3 LYS 16 3HE LYS 16 -7.084 -4.294 7.167 108 HZ1 LYS 16 1HZ LYS 16 -6.682 -1.998 8.259 109 HZ2 LYS 16 2HZ LYS 16 -5.441 -3.053 8.244 110 H LYS 17 HN LYS 17 -3.689 -2.568 2.200 111 HA LYS 17 HA LYS 17 -1.639 -3.756 3.931 112 HB2 LYS 17 2HB LYS 17 -3.934 -5.053 2.577 113 HB3 LYS 17 3HB LYS 17 -2.394 -5.865 2.385 114 HG2 LYS 17 2HG LYS 17 -3.137 -4.902 5.145 115 HG3 LYS 17 3HG LYS 17 -3.972 -6.311 4.519 116 HD2 LYS 17 2HD LYS 17 -2.183 -7.596 5.046 117 HD3 LYS 17 3HD LYS 17 -1.205 -6.693 3.905 118 HE2 LYS 17 2HE LYS 17 -0.076 -6.465 6.004 119 HE3 LYS 17 3HE LYS 17 -0.881 -4.928 5.755 120 HZ1 LYS 17 1HZ LYS 17 -2.679 -6.623 7.080 121 HZ2 LYS 17 2HZ LYS 17 -1.261 -6.731 7.876 122 H21 ACA 18 1HA ACA 18 -0.998 -2.473 -4.356 123 H22 ACA 18 2HA ACA 18 0.544 -3.265 -4.097 124 H31 ACA 18 2HB ACA 18 -0.816 -5.470 -4.737 125 H32 ACA 18 3HB ACA 18 -2.212 -4.504 -4.304 126 H41 ACA 18 2HG ACA 18 0.159 -4.607 -2.421 127 H42 ACA 18 3HG ACA 18 -0.963 -5.952 -2.459 128 H51 ACA 18 2HD ACA 18 -2.622 -4.767 -1.413 129 H52 ACA 18 3HD ACA 18 -2.323 -3.323 -2.359 130 H61 ACA 18 2HE ACA 18 -0.187 -4.059 -0.528 131 H62 ACA 18 3HE ACA 18 -0.766 -2.000 -0.811 132 HN61 ACA 18 HN ACA 18 -2.853 -3.804 0.501 133 H LYS 19 HN LYS 19 -2.147 -3.668 -6.655 134 HA LYS 19 HA LYS 19 -0.545 -5.919 -6.945 135 HB2 LYS 19 2HB LYS 19 -2.945 -5.974 -7.262 136 HB3 LYS 19 3HB LYS 19 -2.843 -4.873 -8.621 137 HG2 LYS 19 2HG LYS 19 -2.380 -6.572 -10.052 138 HG3 LYS 19 3HG LYS 19 -1.034 -7.107 -9.067 139 HD2 LYS 19 2HD LYS 19 -3.970 -7.860 -8.701 140 HD3 LYS 19 3HD LYS 19 -2.678 -8.919 -9.232 141 HE2 LYS 19 2HE LYS 19 -2.241 -9.452 -7.072 142 HE3 LYS 19 3HE LYS 19 -1.802 -7.785 -6.757 143 HZ1 LYS 19 1HZ LYS 19 -4.574 -7.840 -6.809 144 HZ2 LYS 19 2HZ LYS 19 -4.149 -9.153 -5.945 145 H ASN 20 HN ASN 20 -1.486 -4.015 -9.846 146 HA ASN 20 HA ASN 20 1.016 -4.635 -11.009 147 HB2 ASN 20 2HB ASN 20 -1.113 -2.668 -11.998 148 HB3 ASN 20 3HB ASN 20 0.131 -3.422 -12.974 149 HD21 ASN 20 1HD2 ASN 20 -3.016 -3.601 -11.840 150 HD22 ASN 20 2HD2 ASN 20 -3.420 -5.222 -12.299 151 H GLU 21 HN GLU 21 2.610 -2.985 -11.757 152 HA GLU 21 HA GLU 21 3.262 -1.152 -9.843 153 HB2 GLU 21 2HB GLU 21 4.898 -0.293 -11.474 154 HB3 GLU 21 3HB GLU 21 4.842 -2.044 -11.523 155 HG2 GLU 21 2HG GLU 21 2.940 -1.487 -13.405 156 HG3 GLU 21 3HG GLU 21 3.935 -0.054 -13.573 157 HE2 GLU 21 2HE GLU 21 5.540 -3.624 -14.509 158 H GLN 22 HN GLN 22 1.170 -0.841 -12.718 159 HA GLN 22 HA GLN 22 1.066 1.772 -13.153 160 HB2 GLN 22 2HB GLN 22 -0.646 -0.462 -13.595 161 HB3 GLN 22 3HB GLN 22 -1.671 0.806 -12.951 162 HG2 GLN 22 2HG GLN 22 -1.051 2.346 -14.699 163 HG3 GLN 22 3HG GLN 22 0.313 1.364 -15.191 164 HE21 GLN 22 1HE2 GLN 22 -0.717 1.645 -17.300 165 HE22 GLN 22 2HE2 GLN 22 -1.935 0.526 -17.812 166 H GLU 23 HN GLU 23 -0.656 0.044 -10.471 167 HA GLU 23 HA GLU 23 -2.059 2.103 -9.451 168 HB2 GLU 23 2HB GLU 23 -1.679 -0.443 -8.701 169 HB3 GLU 23 3HB GLU 23 -0.611 0.295 -7.525 170 HG2 GLU 23 2HG GLU 23 -2.405 0.833 -6.252 171 HG3 GLU 23 3HG GLU 23 -2.981 1.886 -7.529 172 HE2 GLU 23 2HE GLU 23 -4.182 -1.273 -8.985 173 H LEU 24 HN LEU 24 1.409 1.282 -8.810 174 HA LEU 24 HA LEU 24 1.927 3.167 -6.886 175 HB2 LEU 24 2HB LEU 24 3.351 1.328 -8.422 176 HB3 LEU 24 3HB LEU 24 4.106 2.867 -8.784 177 HG LEU 24 HG LEU 24 5.160 1.592 -6.914 178 HD11 LEU 24 1HD1 LEU 24 4.431 3.923 -5.394 179 HD12 LEU 24 2HD1 LEU 24 5.947 3.556 -6.253 180 HD13 LEU 24 3HD1 LEU 24 4.607 4.349 -7.114 181 HD21 LEU 24 1HD2 LEU 24 2.566 1.187 -6.049 182 HD22 LEU 24 2HD2 LEU 24 4.052 0.846 -5.130 183 HD23 LEU 24 3HD2 LEU 24 3.200 2.392 -4.902 184 H LEU 25 HN LEU 25 2.129 3.514 -10.491 185 HA LEU 25 HA LEU 25 2.926 6.178 -10.459 186 HB2 LEU 25 2HB LEU 25 1.368 4.608 -12.517 187 HB3 LEU 25 3HB LEU 25 2.063 6.194 -12.790 188 HG LEU 25 HG LEU 25 3.836 5.100 -13.585 189 HD11 LEU 25 1HD1 LEU 25 4.302 4.357 -10.683 190 HD12 LEU 25 2HD1 LEU 25 5.530 4.394 -11.971 191 HD13 LEU 25 3HD1 LEU 25 4.735 5.901 -11.455 192 HD21 LEU 25 1HD2 LEU 25 2.696 2.673 -12.206 193 HD22 LEU 25 2HD2 LEU 25 2.794 3.034 -13.946 194 HD23 LEU 25 3HD2 LEU 25 4.271 2.637 -13.035 195 H GLU 26 HN GLU 26 -0.157 4.647 -9.773 196 HA GLU 26 HA GLU 26 -1.779 6.827 -10.395 197 HB2 GLU 26 2HB GLU 26 -2.253 4.251 -9.714 198 HB3 GLU 26 3HB GLU 26 -2.544 4.986 -8.149 199 HG2 GLU 26 2HG GLU 26 -4.047 6.692 -9.451 200 HG3 GLU 26 3HG GLU 26 -3.974 5.544 -10.774 201 HE2 GLU 26 2HE GLU 26 -5.797 3.621 -10.263 202 H LEU 27 HN LEU 27 -0.003 5.824 -7.427 203 HA LEU 27 HA LEU 27 -1.106 7.970 -5.883 204 HB2 LEU 27 2HB LEU 27 1.107 5.979 -5.383 205 HB3 LEU 27 3HB LEU 27 0.614 7.195 -4.222 206 HG LEU 27 HG LEU 27 -0.356 4.645 -4.353 207 HD11 LEU 27 1HD1 LEU 27 -2.064 5.388 -2.765 208 HD12 LEU 27 2HD1 LEU 27 -0.493 6.159 -2.440 209 HD13 LEU 27 3HD1 LEU 27 -1.785 7.079 -3.246 210 HD21 LEU 27 1HD2 LEU 27 -2.733 4.831 -5.070 211 HD22 LEU 27 2HD2 LEU 27 -2.354 6.421 -5.778 212 HD23 LEU 27 3HD2 LEU 27 -1.564 4.955 -6.408 213 H ASP 28 HN ASP 28 1.643 7.434 -8.035 214 HA ASP 28 HA ASP 28 3.296 9.416 -7.065 215 HB2 ASP 28 2HB ASP 28 3.513 7.566 -9.010 216 HB3 ASP 28 3HB ASP 28 3.069 8.917 -10.035 217 HD2 ASP 28 2HD ASP 28 6.691 8.876 -8.333 218 H LYS 29 HN LYS 29 0.243 9.501 -8.776 219 HA LYS 29 HA LYS 29 0.644 12.072 -9.978 220 HB2 LYS 29 2HB LYS 29 -1.756 10.252 -9.668 221 HB3 LYS 29 3HB LYS 29 -1.850 11.829 -10.426 222 HG2 LYS 29 2HG LYS 29 0.245 9.823 -11.328 223 HG3 LYS 29 3HG LYS 29 -1.399 9.709 -11.924 224 HD2 LYS 29 2HD LYS 29 -1.209 12.182 -12.605 225 HD3 LYS 29 3HD LYS 29 0.498 12.080 -12.221 226 HE2 LYS 29 2HE LYS 29 -0.897 11.153 -14.609 227 HE3 LYS 29 3HE LYS 29 0.825 11.324 -14.339 228 HZ1 LYS 29 1HZ LYS 29 -0.848 8.956 -13.950 229 HZ2 LYS 29 2HZ LYS 29 0.664 9.054 -14.545 230 H TRP 30 HN TRP 30 0.441 11.109 -6.815 231 HA TRP 30 HA TRP 30 -1.486 12.473 -5.544 232 HB2 TRP 30 2HB TRP 30 1.364 11.883 -4.920 233 HB3 TRP 30 3HB TRP 30 0.538 13.036 -3.891 234 HD1 TRP 30 1HD TRP 30 1.324 9.606 -3.644 235 HE1 TRP 30 1HE TRP 30 -0.402 8.101 -2.334 236 HE3 TRP 30 3HE TRP 30 -2.546 12.893 -3.913 237 HZ2 TRP 30 2HZ TRP 30 -3.131 8.445 -1.573 238 HZ3 TRP 30 3HZ TRP 30 -4.707 12.231 -2.861 239 HH2 TRP 30 2HH TRP 30 -5.034 10.094 -1.721 240 H ALA 31 HN ALA 31 1.706 13.868 -6.611 241 HA ALA 31 HA ALA 31 1.090 16.491 -5.900 242 HB1 ALA 31 1HB ALA 31 2.853 16.015 -8.255 243 HB2 ALA 31 2HB ALA 31 3.161 16.931 -6.761 244 HB3 ALA 31 3HB ALA 31 3.294 15.156 -6.760 245 H SER 32 HN SER 32 0.638 14.647 -8.976 246 HA SER 32 HA SER 32 -0.049 16.534 -10.684 247 HB2 SER 32 2HB SER 32 -0.174 13.947 -10.887 248 HB3 SER 32 3HB SER 32 -1.830 14.095 -10.333 249 HG SER 32 HG SER 32 -0.688 14.793 -12.815 250 H LEU 33 HN LEU 33 -1.842 15.606 -7.772 251 HA LEU 33 HA LEU 33 -4.299 16.790 -8.491 252 HB2 LEU 33 2HB LEU 33 -3.354 15.181 -6.469 253 HB3 LEU 33 3HB LEU 33 -3.640 16.696 -5.638 254 HG LEU 33 HG LEU 33 -5.625 14.963 -7.107 255 HD11 LEU 33 1HD1 LEU 33 -6.081 16.113 -4.392 256 HD12 LEU 33 2HD1 LEU 33 -6.573 14.545 -5.077 257 HD13 LEU 33 3HD1 LEU 33 -4.890 14.802 -4.560 258 HD21 LEU 33 1HD2 LEU 33 -6.701 16.779 -7.813 259 HD22 LEU 33 2HD2 LEU 33 -7.074 17.106 -6.103 260 HD23 LEU 33 3HD2 LEU 33 -5.655 17.865 -6.866 261 H TRP 34 HN TRP 34 -1.688 17.916 -6.220 262 HA TRP 34 HA TRP 34 -2.599 20.650 -6.810 263 HB2 TRP 34 2HB TRP 34 -1.817 21.291 -4.635 264 HB3 TRP 34 3HB TRP 34 -2.961 19.971 -4.491 265 HD1 TRP 34 1HD TRP 34 -2.003 17.632 -3.515 266 HE1 TRP 34 1HE TRP 34 0.195 16.888 -2.256 267 HE3 TRP 34 3HE TRP 34 0.666 21.821 -4.602 268 HZ2 TRP 34 2HZ TRP 34 2.745 18.109 -1.864 269 HZ3 TRP 34 3HZ TRP 34 3.002 21.966 -3.743 270 HH2 TRP 34 2HH TRP 34 4.045 20.197 -2.418 271 H ASN 35 HN ASN 35 0.315 18.692 -5.830 272 HA ASN 35 HA ASN 35 2.437 18.975 -6.244 273 HB2 ASN 35 2HB ASN 35 2.088 17.979 -8.364 274 HB3 ASN 35 3HB ASN 35 1.112 19.312 -8.946 275 HD21 ASN 35 1HD2 ASN 35 4.248 19.409 -7.303 276 HD22 ASN 35 2HD2 ASN 35 5.158 20.130 -8.589 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -25.181 -1.190 -4.939 2 HA2 GLY 1 1HA GLY 1 -25.983 0.096 -3.188 3 HA3 GLY 1 2HA GLY 1 -24.622 -0.374 -2.190 4 H ILE 2 HN ILE 2 -25.580 2.349 -2.587 5 HA ILE 2 HA ILE 2 -23.315 3.466 -4.089 6 HB ILE 2 HB ILE 2 -25.932 4.827 -3.464 7 HG12 ILE 2 2HG1 ILE 2 -25.876 4.306 -6.196 8 HG13 ILE 2 3HG1 ILE 2 -25.315 2.805 -5.486 9 HG21 ILE 2 1HG2 ILE 2 -25.026 6.650 -4.344 10 HG22 ILE 2 2HG2 ILE 2 -23.458 5.808 -4.359 11 HG23 ILE 2 3HG2 ILE 2 -24.509 5.759 -5.796 12 HD11 ILE 2 1HD1 ILE 2 -27.837 2.977 -5.740 13 HD12 ILE 2 2HD1 ILE 2 -27.289 2.624 -4.083 14 HD13 ILE 2 3HD1 ILE 2 -27.808 4.270 -4.517 15 H GLY 3 HN GLY 3 -22.127 2.865 -2.013 16 HA2 GLY 3 1HA GLY 3 -22.390 5.121 -0.125 17 HA3 GLY 3 2HA GLY 3 -22.238 3.472 0.448 18 H ALA 4 HN ALA 4 -20.404 5.834 0.794 19 HA ALA 4 HA ALA 4 -18.163 5.554 -0.857 20 HB1 ALA 4 1HB ALA 4 -18.901 7.411 0.846 21 HB2 ALA 4 2HB ALA 4 -18.011 6.424 2.030 22 HB3 ALA 4 3HB ALA 4 -17.169 7.083 0.607 23 H PHE 5 HN PHE 5 -19.405 3.684 1.867 24 HA PHE 5 HA PHE 5 -16.880 2.425 2.389 25 HB2 PHE 5 2HB PHE 5 -19.635 1.390 3.183 26 HB3 PHE 5 3HB PHE 5 -18.160 1.354 4.129 27 HD1 PHE 5 1HD PHE 5 -17.222 4.015 4.318 28 HD2 PHE 5 2HD PHE 5 -21.247 2.676 4.193 29 HE1 PHE 5 1HE PHE 5 -17.949 6.088 5.532 30 HE2 PHE 5 2HE PHE 5 -21.974 4.750 5.406 31 HZ PHE 5 HZ PHE 5 -20.318 6.431 6.061 32 H GLY 6 HN GLY 6 -19.034 2.214 -0.159 33 HA2 GLY 6 1HA GLY 6 -19.168 -0.655 -0.414 34 HA3 GLY 6 2HA GLY 6 -19.702 0.553 -1.565 35 H LEU 7 HN LEU 7 -18.571 0.637 -3.452 36 HA LEU 7 HA LEU 7 -16.152 -0.819 -3.710 37 HB2 LEU 7 2HB LEU 7 -18.169 0.100 -5.379 38 HB3 LEU 7 3HB LEU 7 -16.775 1.047 -5.860 39 HG LEU 7 HG LEU 7 -16.067 -1.758 -5.563 40 HD11 LEU 7 1HD1 LEU 7 -18.148 -2.524 -6.164 41 HD12 LEU 7 2HD1 LEU 7 -18.518 -1.091 -7.154 42 HD13 LEU 7 3HD1 LEU 7 -17.386 -2.324 -7.761 43 HD21 LEU 7 1HD2 LEU 7 -14.966 -1.435 -7.604 44 HD22 LEU 7 2HD2 LEU 7 -16.066 -0.127 -8.099 45 HD23 LEU 7 3HD2 LEU 7 -14.884 0.150 -6.798 46 H LEU 8 HN LEU 8 -16.999 2.457 -2.811 47 HA LEU 8 HA LEU 8 -14.575 3.668 -3.620 48 HB2 LEU 8 2HB LEU 8 -17.040 4.407 -2.355 49 HB3 LEU 8 3HB LEU 8 -15.703 5.051 -1.423 50 HG LEU 8 HG LEU 8 -16.309 6.739 -2.948 51 HD11 LEU 8 1HD1 LEU 8 -13.835 6.160 -2.738 52 HD12 LEU 8 2HD1 LEU 8 -13.978 5.441 -4.360 53 HD13 LEU 8 3HD1 LEU 8 -14.317 7.172 -4.121 54 HD21 LEU 8 1HD2 LEU 8 -16.696 6.476 -5.287 55 HD22 LEU 8 2HD2 LEU 8 -16.118 4.792 -5.258 56 HD23 LEU 8 3HD2 LEU 8 -17.639 5.225 -4.441 57 H GLY 9 HN GLY 9 -15.488 1.522 -1.025 58 HA2 GLY 9 1HA GLY 9 -13.199 2.306 0.621 59 HA3 GLY 9 2HA GLY 9 -14.477 1.181 1.039 60 H PHE 10 HN PHE 10 -13.990 0.168 -1.987 61 HA PHE 10 HA PHE 10 -12.434 -2.048 -1.191 62 HB2 PHE 10 2HB PHE 10 -14.289 -1.897 -2.968 63 HB3 PHE 10 3HB PHE 10 -13.198 -0.952 -3.964 64 HD1 PHE 10 1HD PHE 10 -14.000 -4.285 -2.725 65 HD2 PHE 10 2HD PHE 10 -11.269 -2.008 -5.041 66 HE1 PHE 10 1HE PHE 10 -13.089 -6.398 -3.730 67 HE2 PHE 10 2HE PHE 10 -10.359 -4.120 -6.046 68 HZ PHE 10 HZ PHE 10 -11.280 -6.290 -5.378 69 H LEU 11 HN LEU 11 -11.755 1.027 -2.880 70 HA LEU 11 HA LEU 11 -9.174 0.172 -3.764 71 HB2 LEU 11 2HB LEU 11 -10.594 2.830 -3.691 72 HB3 LEU 11 3HB LEU 11 -8.948 2.650 -4.264 73 HG LEU 11 HG LEU 11 -10.224 2.634 -6.209 74 HD11 LEU 11 1HD1 LEU 11 -9.911 0.494 -7.197 75 HD12 LEU 11 2HD1 LEU 11 -8.612 0.712 -5.999 76 HD13 LEU 11 3HD1 LEU 11 -10.008 -0.325 -5.619 77 HD21 LEU 11 1HD2 LEU 11 -12.422 2.453 -5.096 78 HD22 LEU 11 2HD2 LEU 11 -12.300 1.437 -6.552 79 HD23 LEU 11 3HD2 LEU 11 -12.177 0.697 -4.938 80 H ALA 12 HN ALA 12 -10.499 2.207 -1.087 81 HA ALA 12 HA ALA 12 -8.094 3.047 -0.033 82 HB1 ALA 12 1HB ALA 12 -9.897 4.097 0.932 83 HB2 ALA 12 2HB ALA 12 -10.887 2.617 0.955 84 HB3 ALA 12 3HB ALA 12 -9.614 2.855 2.176 85 H ALA 13 HN ALA 13 -9.691 -0.120 0.051 86 HA ALA 13 HA ALA 13 -8.434 -1.220 2.256 87 HB1 ALA 13 1HB ALA 13 -10.310 -2.241 1.016 88 HB2 ALA 13 2HB ALA 13 -9.239 -2.524 -0.376 89 HB3 ALA 13 3HB ALA 13 -8.944 -3.372 1.161 90 H GLY 14 HN GLY 14 -7.341 -0.887 -1.168 91 HA2 GLY 14 1HA GLY 14 -4.992 -2.392 -0.951 92 HA3 GLY 14 2HA GLY 14 -5.315 -1.119 -2.112 93 H SER 15 HN SER 15 -5.791 0.988 -0.050 94 HA SER 15 HA SER 15 -3.132 1.813 0.189 95 HB2 SER 15 2HB SER 15 -4.210 3.785 0.375 96 HB3 SER 15 3HB SER 15 -5.742 2.942 0.500 97 HG SER 15 HG SER 15 -3.997 3.823 2.613 98 H LYS 16 HN LYS 16 -5.347 -0.019 2.241 99 HA LYS 16 HA LYS 16 -4.041 0.486 4.696 100 HB2 LYS 16 2HB LYS 16 -5.770 -1.881 3.922 101 HB3 LYS 16 3HB LYS 16 -5.407 -1.327 5.544 102 HG2 LYS 16 2HG LYS 16 -6.389 0.996 4.508 103 HG3 LYS 16 3HG LYS 16 -7.256 -0.143 3.498 104 HD2 LYS 16 2HD LYS 16 -7.248 -0.074 6.551 105 HD3 LYS 16 3HD LYS 16 -8.583 0.369 5.508 106 HE2 LYS 16 2HE LYS 16 -7.365 -2.411 5.349 107 HE3 LYS 16 3HE LYS 16 -8.555 -2.032 6.578 108 HZ1 LYS 16 1HZ LYS 16 -9.395 -1.123 3.999 109 HZ2 LYS 16 2HZ LYS 16 -9.107 -2.726 3.983 110 H LYS 17 HN LYS 17 -3.354 -1.523 1.903 111 HA LYS 17 HA LYS 17 -1.498 -3.151 3.441 112 HB2 LYS 17 2HB LYS 17 -3.039 -3.474 1.011 113 HB3 LYS 17 3HB LYS 17 -1.343 -3.788 0.698 114 HG2 LYS 17 2HG LYS 17 -1.862 -5.880 1.498 115 HG3 LYS 17 3HG LYS 17 -1.586 -5.126 3.056 116 HD2 LYS 17 2HD LYS 17 -4.144 -4.466 2.911 117 HD3 LYS 17 3HD LYS 17 -4.230 -5.718 1.689 118 HE2 LYS 17 2HE LYS 17 -2.745 -6.833 3.868 119 HE3 LYS 17 3HE LYS 17 -4.113 -6.004 4.583 120 HZ1 LYS 17 1HZ LYS 17 -5.553 -7.228 2.981 121 HZ2 LYS 17 2HZ LYS 17 -4.261 -8.065 2.451 122 H21 ACA 18 1HA ACA 18 0.671 3.952 -2.397 123 H22 ACA 18 2HA ACA 18 2.364 3.495 -2.418 124 H31 ACA 18 2HB ACA 18 1.637 1.178 -3.231 125 H32 ACA 18 3HB ACA 18 -0.023 1.669 -2.959 126 H41 ACA 18 2HG ACA 18 1.077 2.371 -0.544 127 H42 ACA 18 3HG ACA 18 2.118 1.027 -0.971 128 H51 ACA 18 2HD ACA 18 -0.244 -0.132 -1.578 129 H52 ACA 18 3HD ACA 18 -0.844 1.037 -0.419 130 H61 ACA 18 2HE ACA 18 1.258 -1.050 -0.062 131 H62 ACA 18 3HE ACA 18 1.192 0.388 1.545 132 HN61 ACA 18 HN ACA 18 -1.387 -1.234 0.350 133 H LYS 19 HN LYS 19 3.427 3.082 -4.637 134 HA LYS 19 HA LYS 19 2.382 5.758 -5.124 135 HB2 LYS 19 2HB LYS 19 4.531 5.355 -3.853 136 HB3 LYS 19 3HB LYS 19 5.237 4.774 -5.347 137 HG2 LYS 19 2HG LYS 19 3.889 7.285 -5.879 138 HG3 LYS 19 3HG LYS 19 4.926 7.494 -4.482 139 HD2 LYS 19 2HD LYS 19 5.849 6.263 -7.122 140 HD3 LYS 19 3HD LYS 19 6.071 7.949 -6.698 141 HE2 LYS 19 2HE LYS 19 7.058 6.568 -4.450 142 HE3 LYS 19 3HE LYS 19 7.585 5.584 -5.801 143 HZ1 LYS 19 1HZ LYS 19 8.920 7.734 -5.009 144 HZ2 LYS 19 2HZ LYS 19 8.939 7.245 -6.563 145 H ASN 20 HN ASN 20 4.647 3.554 -6.916 146 HA ASN 20 HA ASN 20 3.328 4.483 -9.331 147 HB2 ASN 20 2HB ASN 20 6.063 3.248 -8.775 148 HB3 ASN 20 3HB ASN 20 5.435 3.351 -10.408 149 HD21 ASN 20 1HD2 ASN 20 7.703 4.598 -9.988 150 HD22 ASN 20 2HD2 ASN 20 7.534 6.320 -9.910 151 H GLU 21 HN GLU 21 2.848 2.811 -11.032 152 HA GLU 21 HA GLU 21 1.598 0.594 -9.985 153 HB2 GLU 21 2HB GLU 21 1.159 -0.030 -12.268 154 HB3 GLU 21 3HB GLU 21 1.147 1.722 -12.211 155 HG2 GLU 21 2HG GLU 21 3.547 1.735 -12.990 156 HG3 GLU 21 3HG GLU 21 3.497 -0.013 -13.109 157 HE2 GLU 21 2HE GLU 21 2.158 -0.699 -15.383 158 H GLN 22 HN GLN 22 4.872 1.022 -11.414 159 HA GLN 22 HA GLN 22 5.664 -1.465 -11.858 160 HB2 GLN 22 2HB GLN 22 7.057 0.932 -10.691 161 HB3 GLN 22 3HB GLN 22 7.929 -0.588 -10.694 162 HG2 GLN 22 2HG GLN 22 6.565 0.484 -13.199 163 HG3 GLN 22 3HG GLN 22 8.203 0.939 -12.773 164 HE21 GLN 22 1HE2 GLN 22 7.584 -0.376 -15.112 165 HE22 GLN 22 2HE2 GLN 22 8.254 -1.973 -15.108 166 H GLU 23 HN GLU 23 5.576 0.117 -8.595 167 HA GLU 23 HA GLU 23 6.568 -2.089 -7.238 168 HB2 GLU 23 2HB GLU 23 6.141 0.447 -6.530 169 HB3 GLU 23 3HB GLU 23 4.620 -0.188 -5.933 170 HG2 GLU 23 2HG GLU 23 5.747 -0.785 -4.051 171 HG3 GLU 23 3HG GLU 23 6.468 -2.068 -5.002 172 HE2 GLU 23 2HE GLU 23 9.313 0.147 -5.668 173 H LEU 24 HN LEU 24 3.196 -1.002 -7.968 174 HA LEU 24 HA LEU 24 1.794 -2.808 -6.488 175 HB2 LEU 24 2HB LEU 24 1.178 -0.877 -8.236 176 HB3 LEU 24 3HB LEU 24 0.857 -2.266 -9.254 177 HG LEU 24 HG LEU 24 -1.205 -1.717 -8.283 178 HD11 LEU 24 1HD1 LEU 24 -1.830 -3.749 -7.545 179 HD12 LEU 24 2HD1 LEU 24 -0.149 -4.188 -7.934 180 HD13 LEU 24 3HD1 LEU 24 -0.599 -3.784 -6.259 181 HD21 LEU 24 1HD2 LEU 24 0.417 -0.898 -6.010 182 HD22 LEU 24 2HD2 LEU 24 -1.206 -0.369 -6.512 183 HD23 LEU 24 3HD2 LEU 24 -1.014 -1.829 -5.512 184 H LEU 25 HN LEU 25 3.294 -3.278 -9.743 185 HA LEU 25 HA LEU 25 2.343 -5.907 -10.042 186 HB2 LEU 25 2HB LEU 25 4.692 -4.479 -11.292 187 HB3 LEU 25 3HB LEU 25 4.079 -6.039 -11.808 188 HG LEU 25 HG LEU 25 2.947 -4.809 -13.309 189 HD11 LEU 25 1HD1 LEU 25 1.173 -4.202 -10.929 190 HD12 LEU 25 2HD1 LEU 25 0.690 -4.226 -12.642 191 HD13 LEU 25 3HD1 LEU 25 1.196 -5.732 -11.839 192 HD21 LEU 25 1HD2 LEU 25 3.206 -2.606 -13.456 193 HD22 LEU 25 2HD2 LEU 25 2.304 -2.328 -11.946 194 HD23 LEU 25 3HD2 LEU 25 4.049 -2.677 -11.889 195 H GLU 26 HN GLU 26 5.054 -4.451 -8.292 196 HA GLU 26 HA GLU 26 6.690 -6.639 -8.114 197 HB2 GLU 26 2HB GLU 26 6.980 -4.166 -7.287 198 HB3 GLU 26 3HB GLU 26 6.271 -4.738 -5.789 199 HG2 GLU 26 2HG GLU 26 8.143 -6.709 -6.241 200 HG3 GLU 26 3HG GLU 26 8.948 -5.334 -6.970 201 HE2 GLU 26 2HE GLU 26 10.437 -4.897 -4.634 202 H LEU 27 HN LEU 27 3.757 -5.752 -6.237 203 HA LEU 27 HA LEU 27 4.080 -7.885 -4.376 204 HB2 LEU 27 2HB LEU 27 1.771 -6.058 -5.042 205 HB3 LEU 27 3HB LEU 27 1.726 -7.260 -3.768 206 HG LEU 27 HG LEU 27 2.457 -4.644 -3.459 207 HD11 LEU 27 1HD1 LEU 27 1.747 -6.175 -1.693 208 HD12 LEU 27 2HD1 LEU 27 3.327 -6.993 -1.752 209 HD13 LEU 27 3HD1 LEU 27 3.223 -5.296 -1.227 210 HD21 LEU 27 1HD2 LEU 27 4.528 -4.828 -4.655 211 HD22 LEU 27 2HD2 LEU 27 4.891 -4.663 -2.920 212 HD23 LEU 27 3HD2 LEU 27 5.010 -6.255 -3.707 213 H ASP 28 HN ASP 28 2.709 -7.480 -7.604 214 HA ASP 28 HA ASP 28 0.926 -9.582 -7.544 215 HB2 ASP 28 2HB ASP 28 1.763 -7.711 -9.400 216 HB3 ASP 28 3HB ASP 28 2.454 -9.173 -10.075 217 HD2 ASP 28 2HD ASP 28 0.307 -7.896 -11.467 218 H LYS 29 HN LYS 29 4.425 -9.438 -7.542 219 HA LYS 29 HA LYS 29 4.831 -12.007 -8.746 220 HB2 LYS 29 2HB LYS 29 6.508 -9.813 -7.652 221 HB3 LYS 29 3HB LYS 29 7.189 -11.424 -7.545 222 HG2 LYS 29 2HG LYS 29 7.818 -10.347 -9.685 223 HG3 LYS 29 3HG LYS 29 6.841 -11.773 -9.972 224 HD2 LYS 29 2HD LYS 29 4.879 -10.470 -10.463 225 HD3 LYS 29 3HD LYS 29 5.572 -9.015 -9.776 226 HE2 LYS 29 2HE LYS 29 5.624 -8.939 -12.258 227 HE3 LYS 29 3HE LYS 29 7.246 -8.903 -11.596 228 HZ1 LYS 29 1HZ LYS 29 7.125 -11.459 -11.914 229 HZ2 LYS 29 2HZ LYS 29 5.891 -11.155 -12.933 230 H TRP 30 HN TRP 30 3.401 -11.091 -5.903 231 HA TRP 30 HA TRP 30 4.545 -12.348 -3.830 232 HB2 TRP 30 2HB TRP 30 1.725 -11.958 -4.688 233 HB3 TRP 30 3HB TRP 30 2.015 -13.076 -3.370 234 HD1 TRP 30 1HD TRP 30 0.983 -9.709 -3.587 235 HE1 TRP 30 1HE TRP 30 1.745 -8.122 -1.622 236 HE3 TRP 30 3HE TRP 30 4.700 -12.733 -1.884 237 HZ2 TRP 30 2HZ TRP 30 3.772 -8.304 0.379 238 HZ3 TRP 30 3HZ TRP 30 6.023 -11.952 0.079 239 HH2 TRP 30 2HH TRP 30 5.610 -9.822 1.202 240 H ALA 31 HN ALA 31 2.542 -13.893 -6.436 241 HA ALA 31 HA ALA 31 2.984 -16.512 -5.411 242 HB1 ALA 31 1HB ALA 31 2.203 -16.100 -8.258 243 HB2 ALA 31 2HB ALA 31 1.461 -17.123 -7.003 244 HB3 ALA 31 3HB ALA 31 1.133 -15.373 -7.036 245 H SER 32 HN SER 32 4.344 -14.508 -8.098 246 HA SER 32 HA SER 32 5.840 -16.242 -9.403 247 HB2 SER 32 2HB SER 32 6.117 -14.081 -10.182 248 HB3 SER 32 3HB SER 32 6.258 -13.397 -8.575 249 HG SER 32 HG SER 32 8.398 -13.645 -8.615 250 H LEU 33 HN LEU 33 6.285 -15.222 -6.038 251 HA LEU 33 HA LEU 33 8.954 -16.094 -5.766 252 HB2 LEU 33 2HB LEU 33 8.031 -14.491 -4.259 253 HB3 LEU 33 3HB LEU 33 6.730 -15.569 -3.799 254 HG LEU 33 HG LEU 33 8.154 -16.951 -2.523 255 HD11 LEU 33 1HD1 LEU 33 10.604 -16.764 -2.496 256 HD12 LEU 33 2HD1 LEU 33 9.984 -17.189 -4.109 257 HD13 LEU 33 3HD1 LEU 33 10.520 -15.526 -3.772 258 HD21 LEU 33 1HD2 LEU 33 7.596 -14.806 -1.465 259 HD22 LEU 33 2HD2 LEU 33 9.167 -15.434 -0.912 260 HD23 LEU 33 3HD2 LEU 33 9.106 -14.106 -2.095 261 H TRP 34 HN TRP 34 5.835 -17.594 -4.640 262 HA TRP 34 HA TRP 34 7.219 -20.182 -4.820 263 HB2 TRP 34 2HB TRP 34 5.771 -20.990 -3.093 264 HB3 TRP 34 3HB TRP 34 6.596 -19.545 -2.541 265 HD1 TRP 34 1HD TRP 34 5.051 -17.398 -1.991 266 HE1 TRP 34 1HE TRP 34 2.465 -16.973 -1.677 267 HE3 TRP 34 3HE TRP 34 3.546 -21.798 -4.046 268 HZ2 TRP 34 2HZ TRP 34 0.133 -18.492 -2.310 269 HZ3 TRP 34 3HZ TRP 34 1.097 -22.249 -4.160 270 HH2 TRP 34 2HH TRP 34 -0.586 -20.681 -3.334 271 H ASN 35 HN ASN 35 3.942 -18.604 -5.028 272 HA ASN 35 HA ASN 35 2.177 -19.116 -6.205 273 HB2 ASN 35 2HB ASN 35 3.163 -17.995 -8.042 274 HB3 ASN 35 3HB ASN 35 4.448 -19.176 -8.206 275 HD21 ASN 35 1HD2 ASN 35 1.568 -18.066 -9.427 276 HD22 ASN 35 2HD2 ASN 35 1.096 -19.408 -10.417 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -24.649 -5.146 5.374 2 HA2 GLY 1 1HA GLY 1 -23.558 -3.489 6.428 3 HA3 GLY 1 2HA GLY 1 -22.074 -4.390 6.188 4 H ILE 2 HN ILE 2 -21.046 -4.253 3.932 5 HA ILE 2 HA ILE 2 -21.790 -1.879 2.453 6 HB ILE 2 HB ILE 2 -18.996 -1.674 2.787 7 HG12 ILE 2 2HG1 ILE 2 -20.376 -1.665 5.481 8 HG13 ILE 2 3HG1 ILE 2 -19.430 -3.017 4.897 9 HG21 ILE 2 1HG2 ILE 2 -19.463 0.539 3.188 10 HG22 ILE 2 2HG2 ILE 2 -20.956 0.024 2.368 11 HG23 ILE 2 3HG2 ILE 2 -20.922 0.179 4.140 12 HD11 ILE 2 1HD1 ILE 2 -17.447 -1.949 5.269 13 HD12 ILE 2 2HD1 ILE 2 -18.048 -0.414 4.596 14 HD13 ILE 2 3HD1 ILE 2 -18.409 -0.848 6.284 15 H GLY 3 HN GLY 3 -21.233 -2.027 0.275 16 HA2 GLY 3 1HA GLY 3 -19.266 -3.832 -0.694 17 HA3 GLY 3 2HA GLY 3 -20.864 -4.540 -0.826 18 H ALA 4 HN ALA 4 -22.630 -2.909 -1.732 19 HA ALA 4 HA ALA 4 -21.827 -2.239 -4.325 20 HB1 ALA 4 1HB ALA 4 -24.234 -2.299 -2.709 21 HB2 ALA 4 2HB ALA 4 -24.189 -0.817 -3.692 22 HB3 ALA 4 3HB ALA 4 -24.061 -2.408 -4.477 23 H PHE 5 HN PHE 5 -22.580 -0.182 -1.428 24 HA PHE 5 HA PHE 5 -21.573 2.129 -2.846 25 HB2 PHE 5 2HB PHE 5 -22.489 1.771 0.065 26 HB3 PHE 5 3HB PHE 5 -22.430 3.282 -0.819 27 HD1 PHE 5 1HD PHE 5 -23.875 3.201 -3.101 28 HD2 PHE 5 2HD PHE 5 -24.562 0.816 0.341 29 HE1 PHE 5 1HE PHE 5 -26.266 2.889 -3.795 30 HE2 PHE 5 2HE PHE 5 -26.954 0.504 -0.353 31 HZ PHE 5 HZ PHE 5 -27.778 1.544 -2.413 32 H GLY 6 HN GLY 6 -20.181 -0.436 -1.200 33 HA2 GLY 6 1HA GLY 6 -18.203 1.160 0.246 34 HA3 GLY 6 2HA GLY 6 -18.407 -0.580 0.289 35 H LEU 7 HN LEU 7 -18.543 0.943 -2.875 36 HA LEU 7 HA LEU 7 -16.332 -0.554 -3.776 37 HB2 LEU 7 2HB LEU 7 -18.241 1.421 -4.904 38 HB3 LEU 7 3HB LEU 7 -16.726 1.206 -5.758 39 HG LEU 7 HG LEU 7 -18.460 -1.153 -5.026 40 HD11 LEU 7 1HD1 LEU 7 -19.272 0.946 -6.713 41 HD12 LEU 7 2HD1 LEU 7 -18.769 -0.382 -7.786 42 HD13 LEU 7 3HD1 LEU 7 -20.007 -0.666 -6.539 43 HD21 LEU 7 1HD2 LEU 7 -15.918 -1.015 -6.050 44 HD22 LEU 7 2HD2 LEU 7 -17.032 -2.392 -6.222 45 HD23 LEU 7 3HD2 LEU 7 -16.910 -1.178 -7.518 46 H LEU 8 HN LEU 8 -16.805 2.836 -2.704 47 HA LEU 8 HA LEU 8 -14.272 3.730 -3.547 48 HB2 LEU 8 2HB LEU 8 -16.467 4.709 -1.804 49 HB3 LEU 8 3HB LEU 8 -14.885 5.420 -1.558 50 HG LEU 8 HG LEU 8 -15.968 6.855 -3.056 51 HD11 LEU 8 1HD1 LEU 8 -14.447 7.002 -4.734 52 HD12 LEU 8 2HD1 LEU 8 -13.626 5.772 -3.743 53 HD13 LEU 8 3HD1 LEU 8 -14.579 5.280 -5.165 54 HD21 LEU 8 1HD2 LEU 8 -16.890 5.790 -5.292 55 HD22 LEU 8 2HD2 LEU 8 -17.067 4.351 -4.260 56 HD23 LEU 8 3HD2 LEU 8 -17.884 5.869 -3.817 57 H GLY 9 HN GLY 9 -15.307 1.607 -1.014 58 HA2 GLY 9 1HA GLY 9 -13.019 2.164 0.698 59 HA3 GLY 9 2HA GLY 9 -14.308 1.008 0.972 60 H PHE 10 HN PHE 10 -13.952 0.060 -1.979 61 HA PHE 10 HA PHE 10 -12.383 -2.152 -1.418 62 HB2 PHE 10 2HB PHE 10 -14.129 -1.322 -3.366 63 HB3 PHE 10 3HB PHE 10 -12.630 -1.019 -4.224 64 HD1 PHE 10 1HD PHE 10 -15.020 -3.490 -3.249 65 HD2 PHE 10 2HD PHE 10 -11.000 -2.963 -4.505 66 HE1 PHE 10 1HE PHE 10 -14.911 -5.907 -3.913 67 HE2 PHE 10 2HE PHE 10 -10.892 -5.381 -5.168 68 HZ PHE 10 HZ PHE 10 -12.848 -6.824 -4.865 69 H LEU 11 HN LEU 11 -11.584 0.942 -3.112 70 HA LEU 11 HA LEU 11 -8.945 0.091 -3.738 71 HB2 LEU 11 2HB LEU 11 -10.491 2.648 -3.911 72 HB3 LEU 11 3HB LEU 11 -8.750 2.676 -4.102 73 HG LEU 11 HG LEU 11 -9.638 2.573 -6.279 74 HD11 LEU 11 1HD1 LEU 11 -9.134 -0.345 -6.049 75 HD12 LEU 11 2HD1 LEU 11 -8.417 0.870 -7.134 76 HD13 LEU 11 3HD1 LEU 11 -7.861 0.743 -5.448 77 HD21 LEU 11 1HD2 LEU 11 -11.898 1.596 -5.247 78 HD22 LEU 11 2HD2 LEU 11 -11.499 1.478 -6.978 79 HD23 LEU 11 3HD2 LEU 11 -11.227 0.085 -5.904 80 H ALA 12 HN ALA 12 -10.474 2.109 -1.167 81 HA ALA 12 HA ALA 12 -8.140 2.971 0.046 82 HB1 ALA 12 1HB ALA 12 -10.068 4.029 0.788 83 HB2 ALA 12 2HB ALA 12 -10.990 2.510 0.893 84 HB3 ALA 12 3HB ALA 12 -9.775 2.899 2.133 85 H ALA 13 HN ALA 13 -9.740 -0.188 0.013 86 HA ALA 13 HA ALA 13 -8.634 -1.255 2.335 87 HB1 ALA 13 1HB ALA 13 -10.491 -2.185 0.871 88 HB2 ALA 13 2HB ALA 13 -9.227 -2.729 -0.257 89 HB3 ALA 13 3HB ALA 13 -9.278 -3.374 1.401 90 H GLY 14 HN GLY 14 -7.396 -1.027 -1.048 91 HA2 GLY 14 1HA GLY 14 -5.018 -2.512 -0.510 92 HA3 GLY 14 2HA GLY 14 -5.376 -1.540 -1.923 93 H SER 15 HN SER 15 -6.008 0.927 -0.337 94 HA SER 15 HA SER 15 -3.305 1.800 -0.112 95 HB2 SER 15 2HB SER 15 -4.494 3.541 -1.010 96 HB3 SER 15 3HB SER 15 -6.001 3.035 -0.271 97 HG SER 15 HG SER 15 -4.784 5.116 0.484 98 H LYS 16 HN LYS 16 -5.119 -0.012 1.910 99 HA LYS 16 HA LYS 16 -5.234 1.325 4.321 100 HB2 LYS 16 2HB LYS 16 -5.572 -0.790 5.302 101 HB3 LYS 16 3HB LYS 16 -6.247 -0.909 3.689 102 HG2 LYS 16 2HG LYS 16 -4.923 -2.717 3.342 103 HG3 LYS 16 3HG LYS 16 -3.540 -1.642 3.352 104 HD2 LYS 16 2HD LYS 16 -2.806 -2.646 5.246 105 HD3 LYS 16 3HD LYS 16 -4.213 -2.033 6.092 106 HE2 LYS 16 2HE LYS 16 -4.465 -4.536 4.398 107 HE3 LYS 16 3HE LYS 16 -3.764 -4.645 6.000 108 HZ1 LYS 16 1HZ LYS 16 -5.817 -3.527 6.843 109 HZ2 LYS 16 2HZ LYS 16 -6.471 -3.610 5.354 110 H LYS 17 HN LYS 17 -2.483 0.116 2.501 111 HA LYS 17 HA LYS 17 -0.775 0.419 4.852 112 HB2 LYS 17 2HB LYS 17 -0.419 -1.655 3.759 113 HB3 LYS 17 3HB LYS 17 -0.402 -0.919 2.170 114 HG2 LYS 17 2HG LYS 17 1.667 0.409 2.933 115 HG3 LYS 17 3HG LYS 17 1.697 -0.607 4.360 116 HD2 LYS 17 2HD LYS 17 3.077 -1.891 3.022 117 HD3 LYS 17 3HD LYS 17 1.543 -2.573 2.516 118 HE2 LYS 17 2HE LYS 17 2.603 -2.068 0.460 119 HE3 LYS 17 3HE LYS 17 1.522 -0.708 0.687 120 HZ1 LYS 17 1HZ LYS 17 3.438 0.453 0.357 121 HZ2 LYS 17 2HZ LYS 17 3.710 0.184 1.940 122 H21 ACA 18 1HA ACA 18 2.769 0.976 -1.817 123 H22 ACA 18 2HA ACA 18 1.417 1.795 -2.575 124 H31 ACA 18 2HB ACA 18 2.983 3.242 -0.427 125 H32 ACA 18 3HB ACA 18 1.835 2.008 0.052 126 H41 ACA 18 2HG ACA 18 0.678 3.795 -1.971 127 H42 ACA 18 3HG ACA 18 1.258 4.703 -0.589 128 H51 ACA 18 2HD ACA 18 -0.613 2.291 -0.437 129 H52 ACA 18 3HD ACA 18 -1.122 3.963 -0.318 130 H61 ACA 18 2HE ACA 18 1.093 3.290 1.417 131 H62 ACA 18 3HE ACA 18 -0.558 4.489 2.114 132 HN61 ACA 18 HN ACA 18 -0.936 1.407 1.357 133 H LYS 19 HN LYS 19 2.471 2.239 -4.721 134 HA LYS 19 HA LYS 19 5.205 1.542 -3.994 135 HB2 LYS 19 2HB LYS 19 3.652 -0.139 -5.038 136 HB3 LYS 19 3HB LYS 19 3.652 0.832 -6.497 137 HG2 LYS 19 2HG LYS 19 5.778 0.192 -7.087 138 HG3 LYS 19 3HG LYS 19 6.373 0.281 -5.441 139 HD2 LYS 19 2HD LYS 19 4.661 -1.981 -6.577 140 HD3 LYS 19 3HD LYS 19 6.391 -2.059 -6.310 141 HE2 LYS 19 2HE LYS 19 5.987 -2.755 -4.189 142 HE3 LYS 19 3HE LYS 19 5.312 -1.177 -3.835 143 HZ1 LYS 19 1HZ LYS 19 3.731 -3.022 -3.424 144 HZ2 LYS 19 2HZ LYS 19 3.141 -1.975 -4.521 145 H ASN 20 HN ASN 20 3.616 2.874 -6.978 146 HA ASN 20 HA ASN 20 6.001 4.455 -7.353 147 HB2 ASN 20 2HB ASN 20 4.143 3.126 -9.091 148 HB3 ASN 20 3HB ASN 20 3.958 4.840 -9.405 149 HD21 ASN 20 1HD2 ASN 20 6.325 2.234 -9.093 150 HD22 ASN 20 2HD2 ASN 20 7.511 2.866 -10.186 151 H GLU 21 HN GLU 21 5.849 6.813 -7.660 152 HA GLU 21 HA GLU 21 4.177 8.092 -5.936 153 HB2 GLU 21 2HB GLU 21 4.847 10.186 -7.194 154 HB3 GLU 21 3HB GLU 21 6.189 9.167 -6.712 155 HG2 GLU 21 2HG GLU 21 6.846 8.976 -8.871 156 HG3 GLU 21 3HG GLU 21 5.310 8.243 -9.290 157 HE2 GLU 21 2HE GLU 21 5.712 9.992 -11.420 158 H GLN 22 HN GLN 22 3.608 7.027 -9.257 159 HA GLN 22 HA GLN 22 1.738 8.657 -10.192 160 HB2 GLN 22 2HB GLN 22 2.473 5.902 -10.569 161 HB3 GLN 22 3HB GLN 22 0.723 5.983 -10.567 162 HG2 GLN 22 2HG GLN 22 0.915 6.618 -12.748 163 HG3 GLN 22 3HG GLN 22 1.369 8.189 -12.118 164 HE21 GLN 22 1HE2 GLN 22 3.331 8.970 -12.476 165 HE22 GLN 22 2HE2 GLN 22 4.652 8.126 -13.215 166 H GLU 23 HN GLU 23 1.074 5.913 -7.898 167 HA GLU 23 HA GLU 23 -1.604 6.295 -7.661 168 HB2 GLU 23 2HB GLU 23 -0.342 4.381 -6.707 169 HB3 GLU 23 3HB GLU 23 0.367 5.432 -5.497 170 HG2 GLU 23 2HG GLU 23 -1.809 5.867 -4.483 171 HG3 GLU 23 3HG GLU 23 -2.647 5.075 -5.803 172 HE2 GLU 23 2HE GLU 23 -1.546 1.888 -4.907 173 H LEU 24 HN LEU 24 1.082 7.909 -5.859 174 HA LEU 24 HA LEU 24 -0.278 9.252 -3.956 175 HB2 LEU 24 2HB LEU 24 2.251 9.322 -5.080 176 HB3 LEU 24 3HB LEU 24 1.657 10.953 -5.327 177 HG LEU 24 HG LEU 24 2.743 11.101 -3.290 178 HD11 LEU 24 1HD1 LEU 24 0.325 10.478 -1.802 179 HD12 LEU 24 2HD1 LEU 24 1.109 12.046 -2.113 180 HD13 LEU 24 3HD1 LEU 24 -0.029 11.369 -3.302 181 HD21 LEU 24 1HD2 LEU 24 3.424 9.024 -2.641 182 HD22 LEU 24 2HD2 LEU 24 2.138 9.299 -1.441 183 HD23 LEU 24 3HD2 LEU 24 1.817 8.294 -2.876 184 H LEU 25 HN LEU 25 0.059 10.203 -7.433 185 HA LEU 25 HA LEU 25 -1.406 12.572 -7.179 186 HB2 LEU 25 2HB LEU 25 -0.898 10.776 -9.553 187 HB3 LEU 25 3HB LEU 25 -1.631 12.365 -9.654 188 HG LEU 25 HG LEU 25 0.441 13.106 -10.026 189 HD11 LEU 25 1HD1 LEU 25 1.794 13.641 -8.060 190 HD12 LEU 25 2HD1 LEU 25 0.066 13.944 -7.761 191 HD13 LEU 25 3HD1 LEU 25 0.845 12.494 -7.085 192 HD21 LEU 25 1HD2 LEU 25 2.403 11.829 -9.945 193 HD22 LEU 25 2HD2 LEU 25 1.785 10.790 -8.639 194 HD23 LEU 25 3HD2 LEU 25 1.114 10.647 -10.282 195 H GLU 26 HN GLU 26 -2.352 9.176 -7.933 196 HA GLU 26 HA GLU 26 -4.955 9.676 -8.601 197 HB2 GLU 26 2HB GLU 26 -3.761 7.277 -7.145 198 HB3 GLU 26 3HB GLU 26 -5.359 7.293 -7.862 199 HG2 GLU 26 2HG GLU 26 -3.648 8.261 -9.905 200 HG3 GLU 26 3HG GLU 26 -2.752 6.952 -9.160 201 HE2 GLU 26 2HE GLU 26 -4.022 4.582 -9.749 202 H LEU 27 HN LEU 27 -3.406 9.345 -5.376 203 HA LEU 27 HA LEU 27 -5.945 9.515 -4.032 204 HB2 LEU 27 2HB LEU 27 -3.086 9.437 -3.071 205 HB3 LEU 27 3HB LEU 27 -4.465 9.571 -1.998 206 HG LEU 27 HG LEU 27 -3.275 7.235 -2.761 207 HD11 LEU 27 1HD1 LEU 27 -4.741 7.562 -0.834 208 HD12 LEU 27 2HD1 LEU 27 -6.159 7.607 -1.908 209 HD13 LEU 27 3HD1 LEU 27 -5.203 6.113 -1.759 210 HD21 LEU 27 1HD2 LEU 27 -5.699 7.603 -4.541 211 HD22 LEU 27 2HD2 LEU 27 -4.014 7.333 -5.048 212 HD23 LEU 27 3HD2 LEU 27 -4.909 6.043 -4.208 213 H ASP 28 HN ASP 28 -3.378 11.654 -5.174 214 HA ASP 28 HA ASP 28 -3.836 13.768 -3.463 215 HB2 ASP 28 2HB ASP 28 -1.959 13.422 -5.204 216 HB3 ASP 28 3HB ASP 28 -3.093 13.990 -6.412 217 HD2 ASP 28 2HD ASP 28 -1.493 14.823 -3.571 218 H LYS 29 HN LYS 29 -5.706 12.390 -6.079 219 HA LYS 29 HA LYS 29 -7.108 14.797 -6.749 220 HB2 LYS 29 2HB LYS 29 -7.073 11.965 -7.638 221 HB3 LYS 29 3HB LYS 29 -8.608 12.794 -7.802 222 HG2 LYS 29 2HG LYS 29 -7.157 13.039 -9.834 223 HG3 LYS 29 3HG LYS 29 -7.587 14.582 -9.123 224 HD2 LYS 29 2HD LYS 29 -5.340 14.405 -7.809 225 HD3 LYS 29 3HD LYS 29 -4.928 13.115 -8.921 226 HE2 LYS 29 2HE LYS 29 -5.084 14.595 -10.842 227 HE3 LYS 29 3HE LYS 29 -5.830 15.863 -9.889 228 HZ1 LYS 29 1HZ LYS 29 -3.021 15.069 -9.974 229 HZ2 LYS 29 2HZ LYS 29 -3.662 16.559 -9.823 230 H TRP 30 HN TRP 30 -7.026 12.976 -3.985 231 HA TRP 30 HA TRP 30 -9.502 12.231 -3.279 232 HB2 TRP 30 2HB TRP 30 -7.243 13.488 -1.810 233 HB3 TRP 30 3HB TRP 30 -8.786 13.399 -0.986 234 HD1 TRP 30 1HD TRP 30 -5.818 11.492 -0.913 235 HE1 TRP 30 1HE TRP 30 -6.098 8.907 -0.460 236 HE3 TRP 30 3HE TRP 30 -10.767 11.290 -2.064 237 HZ2 TRP 30 2HZ TRP 30 -8.307 7.109 -0.630 238 HZ3 TRP 30 3HZ TRP 30 -11.910 9.081 -1.895 239 HH2 TRP 30 2HH TRP 30 -10.761 7.038 -1.207 240 H ALA 31 HN ALA 31 -8.191 15.609 -3.346 241 HA ALA 31 HA ALA 31 -10.655 16.752 -2.504 242 HB1 ALA 31 1HB ALA 31 -8.468 18.214 -3.992 243 HB2 ALA 31 2HB ALA 31 -9.508 18.791 -2.668 244 HB3 ALA 31 3HB ALA 31 -8.199 17.634 -2.331 245 H SER 32 HN SER 32 -8.928 16.386 -5.670 246 HA SER 32 HA SER 32 -10.453 17.777 -7.305 247 HB2 SER 32 2HB SER 32 -8.608 16.442 -8.131 248 HB3 SER 32 3HB SER 32 -9.404 14.946 -7.688 249 HG SER 32 HG SER 32 -9.696 16.496 -9.978 250 H LEU 33 HN LEU 33 -11.435 14.881 -5.509 251 HA LEU 33 HA LEU 33 -13.703 14.248 -7.043 252 HB2 LEU 33 2HB LEU 33 -12.888 13.674 -4.199 253 HB3 LEU 33 3HB LEU 33 -14.389 13.087 -4.885 254 HG LEU 33 HG LEU 33 -11.699 12.493 -6.131 255 HD11 LEU 33 1HD1 LEU 33 -11.218 10.943 -4.615 256 HD12 LEU 33 2HD1 LEU 33 -12.516 11.623 -3.605 257 HD13 LEU 33 3HD1 LEU 33 -12.860 10.259 -4.696 258 HD21 LEU 33 1HD2 LEU 33 -12.773 11.105 -7.563 259 HD22 LEU 33 2HD2 LEU 33 -14.034 10.673 -6.384 260 HD23 LEU 33 3HD2 LEU 33 -14.120 12.225 -7.250 261 H TRP 34 HN TRP 34 -13.430 15.969 -3.849 262 HA TRP 34 HA TRP 34 -15.950 17.310 -4.553 263 HB2 TRP 34 2HB TRP 34 -16.445 17.474 -2.234 264 HB3 TRP 34 3HB TRP 34 -16.079 15.801 -2.607 265 HD1 TRP 34 1HD TRP 34 -14.034 14.702 -1.289 266 HE1 TRP 34 1HE TRP 34 -12.381 15.434 0.634 267 HE3 TRP 34 3HE TRP 34 -15.226 19.644 -1.427 268 HZ2 TRP 34 2HZ TRP 34 -11.771 17.941 1.854 269 HZ3 TRP 34 3HZ TRP 34 -14.056 21.166 0.164 270 HH2 TRP 34 2HH TRP 34 -12.381 20.386 1.765 271 H ASN 35 HN ASN 35 -12.866 17.703 -2.652 272 HA ASN 35 HA ASN 35 -11.630 19.441 -2.243 273 HB2 ASN 35 2HB ASN 35 -11.027 19.252 -4.618 274 HB3 ASN 35 3HB ASN 35 -12.461 20.134 -5.106 275 HD21 ASN 35 1HD2 ASN 35 -10.037 20.934 -5.978 276 HD22 ASN 35 2HD2 ASN 35 -9.558 22.433 -5.252 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 -12.029 -9.554 3.650 2 HA2 GLY 1 1HA GLY 1 -10.799 -7.589 2.355 3 HA3 GLY 1 2HA GLY 1 -11.313 -8.576 1.000 4 H ILE 2 HN ILE 2 -12.505 -6.894 3.966 5 HA ILE 2 HA ILE 2 -15.222 -7.031 2.977 6 HB ILE 2 HB ILE 2 -15.791 -5.958 5.086 7 HG12 ILE 2 2HG1 ILE 2 -13.450 -6.047 6.606 8 HG13 ILE 2 3HG1 ILE 2 -12.950 -5.295 5.104 9 HG21 ILE 2 1HG2 ILE 2 -14.296 -7.858 6.459 10 HG22 ILE 2 2HG2 ILE 2 -15.896 -8.090 5.713 11 HG23 ILE 2 3HG2 ILE 2 -14.422 -8.511 4.808 12 HD11 ILE 2 1HD1 ILE 2 -14.910 -4.326 7.157 13 HD12 ILE 2 2HD1 ILE 2 -13.731 -3.409 6.189 14 HD13 ILE 2 3HD1 ILE 2 -15.264 -3.941 5.455 15 H GLY 3 HN GLY 3 -16.537 -4.941 2.943 16 HA2 GLY 3 1HA GLY 3 -14.881 -2.788 1.767 17 HA3 GLY 3 2HA GLY 3 -16.451 -3.267 1.155 18 H ALA 4 HN ALA 4 -14.938 -0.912 2.911 19 HA ALA 4 HA ALA 4 -16.467 -0.569 5.191 20 HB1 ALA 4 1HB ALA 4 -14.526 0.876 3.628 21 HB2 ALA 4 2HB ALA 4 -15.845 1.983 4.076 22 HB3 ALA 4 3HB ALA 4 -14.964 1.092 5.339 23 H PHE 5 HN PHE 5 -16.852 1.553 2.283 24 HA PHE 5 HA PHE 5 -19.678 1.725 2.923 25 HB2 PHE 5 2HB PHE 5 -18.099 3.710 2.433 26 HB3 PHE 5 3HB PHE 5 -17.920 3.097 0.801 27 HD1 PHE 5 1HD PHE 5 -20.113 4.844 3.121 28 HD2 PHE 5 2HD PHE 5 -19.797 3.204 -0.780 29 HE1 PHE 5 1HE PHE 5 -22.140 6.143 2.411 30 HE2 PHE 5 2HE PHE 5 -21.823 4.504 -1.491 31 HZ PHE 5 HZ PHE 5 -22.971 5.957 0.113 32 H GLY 6 HN GLY 6 -17.586 1.158 -0.002 33 HA2 GLY 6 1HA GLY 6 -19.257 -0.980 -0.905 34 HA3 GLY 6 2HA GLY 6 -19.541 0.495 -1.808 35 H LEU 7 HN LEU 7 -18.150 1.053 -3.458 36 HA LEU 7 HA LEU 7 -15.888 -0.734 -3.855 37 HB2 LEU 7 2HB LEU 7 -17.841 0.153 -5.532 38 HB3 LEU 7 3HB LEU 7 -16.556 1.288 -5.892 39 HG LEU 7 HG LEU 7 -15.168 -1.050 -5.980 40 HD11 LEU 7 1HD1 LEU 7 -16.603 -2.615 -7.358 41 HD12 LEU 7 2HD1 LEU 7 -16.967 -2.542 -5.617 42 HD13 LEU 7 3HD1 LEU 7 -18.010 -1.690 -6.780 43 HD21 LEU 7 1HD2 LEU 7 -16.636 -0.254 -8.458 44 HD22 LEU 7 2HD2 LEU 7 -15.585 0.944 -7.664 45 HD23 LEU 7 3HD2 LEU 7 -14.911 -0.611 -8.209 46 H LEU 8 HN LEU 8 -16.719 2.593 -2.998 47 HA LEU 8 HA LEU 8 -14.223 3.731 -3.633 48 HB2 LEU 8 2HB LEU 8 -16.643 4.687 -2.965 49 HB3 LEU 8 3HB LEU 8 -15.849 4.831 -1.409 50 HG LEU 8 HG LEU 8 -15.651 6.918 -2.558 51 HD11 LEU 8 1HD1 LEU 8 -12.963 5.536 -2.757 52 HD12 LEU 8 2HD1 LEU 8 -13.275 7.275 -2.532 53 HD13 LEU 8 3HD1 LEU 8 -13.695 6.121 -1.244 54 HD21 LEU 8 1HD2 LEU 8 -15.829 6.849 -4.787 55 HD22 LEU 8 2HD2 LEU 8 -14.061 6.635 -4.776 56 HD23 LEU 8 3HD2 LEU 8 -15.129 5.215 -4.892 57 H GLY 9 HN GLY 9 -15.437 1.772 -0.947 58 HA2 GLY 9 1HA GLY 9 -13.210 2.429 0.784 59 HA3 GLY 9 2HA GLY 9 -14.503 1.285 1.082 60 H PHE 10 HN PHE 10 -14.059 0.052 -1.709 61 HA PHE 10 HA PHE 10 -12.418 -2.034 -0.892 62 HB2 PHE 10 2HB PHE 10 -14.238 -1.763 -2.787 63 HB3 PHE 10 3HB PHE 10 -12.948 -1.090 -3.763 64 HD1 PHE 10 1HD PHE 10 -10.698 -2.671 -3.598 65 HD2 PHE 10 2HD PHE 10 -14.723 -3.962 -3.224 66 HE1 PHE 10 1HE PHE 10 -10.021 -4.985 -4.296 67 HE2 PHE 10 2HE PHE 10 -14.045 -6.276 -3.922 68 HZ PHE 10 HZ PHE 10 -11.703 -6.759 -4.450 69 H LEU 11 HN LEU 11 -11.740 0.939 -2.799 70 HA LEU 11 HA LEU 11 -9.110 0.108 -3.497 71 HB2 LEU 11 2HB LEU 11 -10.612 2.714 -3.634 72 HB3 LEU 11 3HB LEU 11 -8.921 2.593 -4.078 73 HG LEU 11 HG LEU 11 -10.785 2.430 -5.898 74 HD11 LEU 11 1HD1 LEU 11 -9.236 1.555 -7.325 75 HD12 LEU 11 2HD1 LEU 11 -8.184 1.916 -5.933 76 HD13 LEU 11 3HD1 LEU 11 -8.764 0.254 -6.204 77 HD21 LEU 11 1HD2 LEU 11 -11.614 0.232 -6.385 78 HD22 LEU 11 2HD2 LEU 11 -10.685 -0.474 -5.041 79 HD23 LEU 11 3HD2 LEU 11 -12.038 0.633 -4.703 80 H ALA 12 HN ALA 12 -10.554 2.273 -0.986 81 HA ALA 12 HA ALA 12 -8.188 3.183 0.106 82 HB1 ALA 12 1HB ALA 12 -9.657 3.385 2.212 83 HB2 ALA 12 2HB ALA 12 -10.233 4.209 0.743 84 HB3 ALA 12 3HB ALA 12 -10.954 2.658 1.234 85 H ALA 13 HN ALA 13 -9.803 0.032 0.326 86 HA ALA 13 HA ALA 13 -8.470 -0.868 2.637 87 HB1 ALA 13 1HB ALA 13 -9.412 -2.977 2.084 88 HB2 ALA 13 2HB ALA 13 -10.579 -1.780 1.473 89 HB3 ALA 13 3HB ALA 13 -9.464 -2.591 0.348 90 H GLY 14 HN GLY 14 -7.755 -1.028 -0.898 91 HA2 GLY 14 1HA GLY 14 -5.444 -2.647 -0.640 92 HA3 GLY 14 2HA GLY 14 -5.903 -1.661 -2.014 93 H SER 15 HN SER 15 -6.076 0.887 -0.496 94 HA SER 15 HA SER 15 -3.490 1.735 -0.862 95 HB2 SER 15 2HB SER 15 -5.771 3.039 -0.629 96 HB3 SER 15 3HB SER 15 -5.368 3.111 1.075 97 HG SER 15 HG SER 15 -3.139 3.892 0.072 98 H LYS 16 HN LYS 16 -4.998 0.058 1.815 99 HA LYS 16 HA LYS 16 -3.459 0.969 3.936 100 HB2 LYS 16 2HB LYS 16 -4.757 -1.721 3.420 101 HB3 LYS 16 3HB LYS 16 -4.044 -1.258 4.951 102 HG2 LYS 16 2HG LYS 16 -5.845 0.836 3.953 103 HG3 LYS 16 3HG LYS 16 -6.675 -0.702 4.071 104 HD2 LYS 16 2HD LYS 16 -5.241 -0.661 6.449 105 HD3 LYS 16 3HD LYS 16 -5.605 1.040 6.230 106 HE2 LYS 16 2HE LYS 16 -8.002 0.588 6.079 107 HE3 LYS 16 3HE LYS 16 -7.729 -1.143 6.015 108 HZ1 LYS 16 1HZ LYS 16 -7.907 0.507 8.311 109 HZ2 LYS 16 2HZ LYS 16 -7.848 -1.119 8.245 110 H LYS 17 HN LYS 17 -2.926 -1.890 1.755 111 HA LYS 17 HA LYS 17 -0.206 -2.046 2.775 112 HB2 LYS 17 2HB LYS 17 -1.963 -3.885 1.150 113 HB3 LYS 17 3HB LYS 17 -0.234 -4.140 1.256 114 HG2 LYS 17 2HG LYS 17 -0.449 -4.087 3.795 115 HG3 LYS 17 3HG LYS 17 -2.189 -4.014 3.598 116 HD2 LYS 17 2HD LYS 17 -2.338 -6.243 3.145 117 HD3 LYS 17 3HD LYS 17 -1.027 -6.178 1.983 118 HE2 LYS 17 2HE LYS 17 0.513 -5.963 4.139 119 HE3 LYS 17 3HE LYS 17 -0.878 -6.623 4.977 120 HZ1 LYS 17 1HZ LYS 17 0.961 -8.127 3.713 121 HZ2 LYS 17 2HZ LYS 17 -0.552 -8.642 4.021 122 H21 ACA 18 1HA ACA 18 -2.655 -2.969 -6.105 123 H22 ACA 18 2HA ACA 18 -1.958 -1.411 -6.501 124 H31 ACA 18 2HB ACA 18 0.278 -2.352 -5.558 125 H32 ACA 18 3HB ACA 18 -0.676 -3.669 -4.906 126 H41 ACA 18 2HG ACA 18 -2.182 -1.823 -3.845 127 H42 ACA 18 3HG ACA 18 -0.892 -0.706 -4.243 128 H51 ACA 18 2HD ACA 18 0.694 -2.360 -3.004 129 H52 ACA 18 3HD ACA 18 -0.761 -3.114 -2.384 130 H61 ACA 18 2HE ACA 18 0.590 -0.782 -1.557 131 H62 ACA 18 3HE ACA 18 -1.307 0.091 -2.096 132 HN61 ACA 18 HN ACA 18 -1.790 -2.174 -0.499 133 H LYS 19 HN LYS 19 -2.592 -2.293 -8.907 134 HA LYS 19 HA LYS 19 -1.896 -5.137 -8.676 135 HB2 LYS 19 2HB LYS 19 -4.202 -4.698 -8.077 136 HB3 LYS 19 3HB LYS 19 -4.467 -3.793 -9.554 137 HG2 LYS 19 2HG LYS 19 -4.819 -5.686 -10.768 138 HG3 LYS 19 3HG LYS 19 -3.364 -6.443 -10.149 139 HD2 LYS 19 2HD LYS 19 -5.939 -6.253 -8.524 140 HD3 LYS 19 3HD LYS 19 -5.579 -7.613 -9.570 141 HE2 LYS 19 2HE LYS 19 -3.538 -8.127 -8.289 142 HE3 LYS 19 3HE LYS 19 -3.733 -6.680 -7.320 143 HZ1 LYS 19 1HZ LYS 19 -4.829 -9.164 -6.791 144 HZ2 LYS 19 2HZ LYS 19 -5.146 -7.783 -5.987 145 H ASN 20 HN ASN 20 -3.669 -3.589 -11.356 146 HA ASN 20 HA ASN 20 -1.591 -4.565 -13.101 147 HB2 ASN 20 2HB ASN 20 -4.488 -3.786 -13.384 148 HB3 ASN 20 3HB ASN 20 -3.483 -3.560 -14.801 149 HD21 ASN 20 1HD2 ASN 20 -5.573 -5.587 -13.505 150 HD22 ASN 20 2HD2 ASN 20 -5.003 -7.128 -14.049 151 H GLU 21 HN GLU 21 -0.944 -3.065 -14.999 152 HA GLU 21 HA GLU 21 -0.092 -0.620 -13.971 153 HB2 GLU 21 2HB GLU 21 0.876 -0.252 -16.164 154 HB3 GLU 21 3HB GLU 21 1.062 -1.949 -15.767 155 HG2 GLU 21 2HG GLU 21 -1.376 -2.024 -17.023 156 HG3 GLU 21 3HG GLU 21 -0.649 -0.665 -17.856 157 HE2 GLU 21 2HE GLU 21 1.152 -2.162 -19.823 158 H GLN 22 HN GLN 22 -3.038 -1.647 -15.572 159 HA GLN 22 HA GLN 22 -3.909 0.436 -16.941 160 HB2 GLN 22 2HB GLN 22 -5.080 -1.789 -15.817 161 HB3 GLN 22 3HB GLN 22 -5.906 -0.514 -14.947 162 HG2 GLN 22 2HG GLN 22 -5.837 0.353 -17.656 163 HG3 GLN 22 3HG GLN 22 -6.231 -1.353 -17.729 164 HE21 GLN 22 1HE2 GLN 22 -8.078 -2.146 -16.715 165 HE22 GLN 22 2HE2 GLN 22 -9.408 -1.135 -16.260 166 H GLU 23 HN GLU 23 -3.735 0.233 -13.347 167 HA GLU 23 HA GLU 23 -5.040 2.663 -12.914 168 HB2 GLU 23 2HB GLU 23 -4.491 0.678 -11.283 169 HB3 GLU 23 3HB GLU 23 -2.967 1.505 -11.030 170 HG2 GLU 23 2HG GLU 23 -4.595 3.633 -10.701 171 HG3 GLU 23 3HG GLU 23 -5.752 2.383 -10.287 172 HE2 GLU 23 2HE GLU 23 -3.390 3.942 -7.950 173 H LEU 24 HN LEU 24 -1.530 1.743 -13.023 174 HA LEU 24 HA LEU 24 -0.342 4.055 -12.375 175 HB2 LEU 24 2HB LEU 24 0.291 1.951 -14.406 176 HB3 LEU 24 3HB LEU 24 1.304 3.379 -14.307 177 HG LEU 24 HG LEU 24 2.143 1.409 -13.026 178 HD11 LEU 24 1HD1 LEU 24 2.976 3.586 -12.467 179 HD12 LEU 24 2HD1 LEU 24 1.539 3.940 -11.478 180 HD13 LEU 24 3HD1 LEU 24 2.690 2.688 -10.956 181 HD21 LEU 24 1HD2 LEU 24 -0.037 0.548 -12.273 182 HD22 LEU 24 2HD2 LEU 24 1.103 0.777 -10.925 183 HD23 LEU 24 3HD2 LEU 24 -0.207 1.952 -11.191 184 H LEU 25 HN LEU 25 -1.394 3.246 -15.764 185 HA LEU 25 HA LEU 25 -0.815 5.612 -16.941 186 HB2 LEU 25 2HB LEU 25 -3.244 3.879 -17.413 187 HB3 LEU 25 3HB LEU 25 -2.632 5.094 -18.517 188 HG LEU 25 HG LEU 25 -1.694 3.264 -19.471 189 HD11 LEU 25 1HD1 LEU 25 0.348 3.746 -17.284 190 HD12 LEU 25 2HD1 LEU 25 0.643 3.010 -18.878 191 HD13 LEU 25 3HD1 LEU 25 0.164 4.720 -18.763 192 HD21 LEU 25 1HD2 LEU 25 -0.802 1.618 -17.256 193 HD22 LEU 25 2HD2 LEU 25 -2.541 1.979 -17.140 194 HD23 LEU 25 3HD2 LEU 25 -1.885 1.223 -18.613 195 H GLU 26 HN GLU 26 -3.751 4.799 -14.998 196 HA GLU 26 HA GLU 26 -5.097 7.138 -15.427 197 HB2 GLU 26 2HB GLU 26 -5.754 4.942 -14.143 198 HB3 GLU 26 3HB GLU 26 -5.109 5.753 -12.731 199 HG2 GLU 26 2HG GLU 26 -6.644 7.710 -13.205 200 HG3 GLU 26 3HG GLU 26 -7.336 6.806 -14.538 201 HE2 GLU 26 2HE GLU 26 -8.451 6.393 -10.868 202 H LEU 27 HN LEU 27 -2.459 6.366 -13.111 203 HA LEU 27 HA LEU 27 -2.656 8.895 -11.795 204 HB2 LEU 27 2HB LEU 27 -0.595 6.689 -11.742 205 HB3 LEU 27 3HB LEU 27 -0.490 8.143 -10.770 206 HG LEU 27 HG LEU 27 -1.635 5.789 -9.985 207 HD11 LEU 27 1HD1 LEU 27 -2.503 7.043 -8.070 208 HD12 LEU 27 2HD1 LEU 27 -0.872 7.591 -8.525 209 HD13 LEU 27 3HD1 LEU 27 -2.294 8.566 -8.966 210 HD21 LEU 27 1HD2 LEU 27 -4.078 6.237 -9.780 211 HD22 LEU 27 2HD2 LEU 27 -3.880 7.603 -10.903 212 HD23 LEU 27 3HD2 LEU 27 -3.532 5.945 -11.449 213 H ASP 28 HN ASP 28 -1.058 7.578 -14.654 214 HA ASP 28 HA ASP 28 1.009 9.395 -14.828 215 HB2 ASP 28 2HB ASP 28 0.274 7.244 -16.266 216 HB3 ASP 28 3HB ASP 28 -0.440 8.458 -17.307 217 HD2 ASP 28 2HD ASP 28 1.217 10.301 -17.544 218 H LYS 29 HN LYS 29 -2.455 9.697 -15.234 219 HA LYS 29 HA LYS 29 -2.355 11.939 -17.016 220 HB2 LYS 29 2HB LYS 29 -4.434 10.286 -15.694 221 HB3 LYS 29 3HB LYS 29 -4.876 11.952 -16.010 222 HG2 LYS 29 2HG LYS 29 -5.491 10.672 -17.969 223 HG3 LYS 29 3HG LYS 29 -4.104 11.648 -18.409 224 HD2 LYS 29 2HD LYS 29 -2.603 9.782 -18.302 225 HD3 LYS 29 3HD LYS 29 -3.736 8.810 -17.385 226 HE2 LYS 29 2HE LYS 29 -4.742 9.732 -20.041 227 HE3 LYS 29 3HE LYS 29 -3.387 8.622 -20.112 228 HZ1 LYS 29 1HZ LYS 29 -5.896 8.108 -18.605 229 HZ2 LYS 29 2HZ LYS 29 -5.524 7.443 -20.043 230 H TRP 30 HN TRP 30 -1.351 11.547 -13.885 231 HA TRP 30 HA TRP 30 -2.481 13.392 -12.301 232 HB2 TRP 30 2HB TRP 30 0.316 12.457 -12.688 233 HB3 TRP 30 3HB TRP 30 0.076 13.880 -11.695 234 HD1 TRP 30 1HD TRP 30 0.601 10.454 -11.037 235 HE1 TRP 30 1HE TRP 30 -0.577 9.481 -8.886 236 HE3 TRP 30 3HE TRP 30 -2.758 14.237 -10.522 237 HZ2 TRP 30 2HZ TRP 30 -2.732 10.382 -7.246 238 HZ3 TRP 30 3HZ TRP 30 -4.364 14.114 -8.620 239 HH2 TRP 30 2HH TRP 30 -4.387 12.271 -7.014 240 H ALA 31 HN ALA 31 0.066 14.040 -14.819 241 HA ALA 31 HA ALA 31 -0.037 16.836 -14.486 242 HB1 ALA 31 1HB ALA 31 0.778 15.661 -17.107 243 HB2 ALA 31 2HB ALA 31 1.624 16.829 -16.063 244 HB3 ALA 31 3HB ALA 31 1.662 15.093 -15.670 245 H SER 32 HN SER 32 -1.775 14.483 -16.569 246 HA SER 32 HA SER 32 -2.848 16.098 -18.411 247 HB2 SER 32 2HB SER 32 -3.198 13.539 -17.869 248 HB3 SER 32 3HB SER 32 -4.610 14.086 -16.987 249 HG SER 32 HG SER 32 -4.174 13.928 -19.748 250 H LEU 33 HN LEU 33 -3.439 16.107 -14.944 251 HA LEU 33 HA LEU 33 -5.953 17.428 -15.056 252 HB2 LEU 33 2HB LEU 33 -4.245 16.255 -13.102 253 HB3 LEU 33 3HB LEU 33 -4.586 17.897 -12.598 254 HG LEU 33 HG LEU 33 -6.289 16.734 -11.582 255 HD11 LEU 33 1HD1 LEU 33 -7.901 17.044 -14.055 256 HD12 LEU 33 2HD1 LEU 33 -8.179 17.661 -12.408 257 HD13 LEU 33 3HD1 LEU 33 -7.026 18.486 -13.484 258 HD21 LEU 33 1HD2 LEU 33 -5.964 14.849 -13.835 259 HD22 LEU 33 2HD2 LEU 33 -6.272 14.547 -12.107 260 HD23 LEU 33 3HD2 LEU 33 -7.615 14.995 -13.186 261 H TRP 34 HN TRP 34 -2.631 18.559 -14.092 262 HA TRP 34 HA TRP 34 -3.490 21.242 -14.935 263 HB2 TRP 34 2HB TRP 34 -1.940 22.148 -13.346 264 HB3 TRP 34 3HB TRP 34 -3.047 21.056 -12.539 265 HD1 TRP 34 1HD TRP 34 -1.973 18.819 -11.449 266 HE1 TRP 34 1HE TRP 34 0.470 18.010 -10.866 267 HE3 TRP 34 3HE TRP 34 0.421 22.313 -14.264 268 HZ2 TRP 34 2HZ TRP 34 3.072 18.902 -11.631 269 HZ3 TRP 34 3HZ TRP 34 2.914 22.274 -14.290 270 HH2 TRP 34 2HH TRP 34 4.234 20.645 -13.034 271 H ASN 35 HN ASN 35 -0.575 19.084 -14.582 272 HA ASN 35 HA ASN 35 1.267 18.956 -15.741 273 HB2 ASN 35 2HB ASN 35 0.151 17.695 -17.387 274 HB3 ASN 35 3HB ASN 35 -0.924 19.010 -17.818 275 HD21 ASN 35 1HD2 ASN 35 -0.569 18.935 -19.978 276 HD22 ASN 35 2HD2 ASN 35 0.919 19.375 -20.747 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -24.253 -2.589 3.940 2 HA2 GLY 1 1HA GLY 1 -22.805 -4.626 2.565 3 HA3 GLY 1 2HA GLY 1 -23.742 -3.321 1.866 4 H ILE 2 HN ILE 2 -20.601 -4.557 2.358 5 HA ILE 2 HA ILE 2 -19.455 -1.946 1.651 6 HB ILE 2 HB ILE 2 -17.346 -3.195 2.707 7 HG12 ILE 2 2HG1 ILE 2 -18.097 -4.285 4.848 8 HG13 ILE 2 3HG1 ILE 2 -19.727 -4.320 4.205 9 HG21 ILE 2 1HG2 ILE 2 -19.265 -1.834 4.578 10 HG22 ILE 2 2HG2 ILE 2 -17.494 -1.699 4.472 11 HG23 ILE 2 3HG2 ILE 2 -18.519 -0.943 3.229 12 HD11 ILE 2 1HD1 ILE 2 -18.598 -6.470 3.779 13 HD12 ILE 2 2HD1 ILE 2 -18.922 -5.640 2.238 14 HD13 ILE 2 3HD1 ILE 2 -17.282 -5.628 2.927 15 H GLY 3 HN GLY 3 -20.281 -2.911 -0.530 16 HA2 GLY 3 1HA GLY 3 -17.974 -3.915 -1.899 17 HA3 GLY 3 2HA GLY 3 -19.231 -5.127 -1.745 18 H ALA 4 HN ALA 4 -21.614 -3.889 -2.065 19 HA ALA 4 HA ALA 4 -21.759 -3.429 -4.794 20 HB1 ALA 4 1HB ALA 4 -23.966 -2.169 -3.498 21 HB2 ALA 4 2HB ALA 4 -23.902 -3.791 -4.231 22 HB3 ALA 4 3HB ALA 4 -23.506 -3.576 -2.509 23 H PHE 5 HN PHE 5 -22.677 -0.933 -2.334 24 HA PHE 5 HA PHE 5 -21.691 1.079 -4.187 25 HB2 PHE 5 2HB PHE 5 -24.013 1.078 -3.054 26 HB3 PHE 5 3HB PHE 5 -23.201 1.255 -1.511 27 HD1 PHE 5 1HD PHE 5 -22.036 3.355 -0.954 28 HD2 PHE 5 2HD PHE 5 -24.243 2.941 -4.555 29 HE1 PHE 5 1HE PHE 5 -22.055 5.849 -1.230 30 HE2 PHE 5 2HE PHE 5 -24.263 5.436 -4.830 31 HZ PHE 5 HZ PHE 5 -23.168 6.860 -3.164 32 H GLY 6 HN GLY 6 -20.470 -0.754 -1.644 33 HA2 GLY 6 1HA GLY 6 -18.967 1.424 -0.400 34 HA3 GLY 6 2HA GLY 6 -19.037 -0.253 0.108 35 H LEU 7 HN LEU 7 -18.532 0.700 -3.300 36 HA LEU 7 HA LEU 7 -16.112 -0.812 -3.364 37 HB2 LEU 7 2HB LEU 7 -17.952 -0.530 -5.158 38 HB3 LEU 7 3HB LEU 7 -17.137 0.971 -5.554 39 HG LEU 7 HG LEU 7 -15.439 -1.472 -5.414 40 HD11 LEU 7 1HD1 LEU 7 -16.070 -2.050 -7.780 41 HD12 LEU 7 2HD1 LEU 7 -17.288 -2.451 -6.546 42 HD13 LEU 7 3HD1 LEU 7 -17.504 -1.016 -7.578 43 HD21 LEU 7 1HD2 LEU 7 -14.006 -0.151 -6.473 44 HD22 LEU 7 2HD2 LEU 7 -15.174 0.147 -7.783 45 HD23 LEU 7 3HD2 LEU 7 -15.183 1.176 -6.331 46 H LEU 8 HN LEU 8 -17.007 2.485 -2.680 47 HA LEU 8 HA LEU 8 -14.628 3.719 -3.554 48 HB2 LEU 8 2HB LEU 8 -16.988 4.415 -1.915 49 HB3 LEU 8 3HB LEU 8 -15.533 5.331 -1.576 50 HG LEU 8 HG LEU 8 -17.024 6.442 -3.197 51 HD11 LEU 8 1HD1 LEU 8 -15.330 7.111 -4.763 52 HD12 LEU 8 2HD1 LEU 8 -14.564 6.826 -3.181 53 HD13 LEU 8 3HD1 LEU 8 -14.406 5.617 -4.477 54 HD21 LEU 8 1HD2 LEU 8 -17.130 3.842 -4.374 55 HD22 LEU 8 2HD2 LEU 8 -18.041 5.309 -4.806 56 HD23 LEU 8 3HD2 LEU 8 -16.467 4.980 -5.571 57 H GLY 9 HN GLY 9 -15.373 1.563 -0.943 58 HA2 GLY 9 1HA GLY 9 -13.027 2.452 0.596 59 HA3 GLY 9 2HA GLY 9 -14.315 1.404 1.157 60 H PHE 10 HN PHE 10 -13.624 0.512 -2.036 61 HA PHE 10 HA PHE 10 -12.404 -1.905 -1.179 62 HB2 PHE 10 2HB PHE 10 -13.962 -1.044 -3.283 63 HB3 PHE 10 3HB PHE 10 -12.389 -0.937 -4.049 64 HD1 PHE 10 1HD PHE 10 -10.884 -3.167 -3.455 65 HD2 PHE 10 2HD PHE 10 -15.114 -2.976 -3.732 66 HE1 PHE 10 1HE PHE 10 -10.963 -5.625 -3.957 67 HE2 PHE 10 2HE PHE 10 -15.193 -5.434 -4.233 68 HZ PHE 10 HZ PHE 10 -13.115 -6.730 -4.340 69 H LEU 11 HN LEU 11 -11.314 0.934 -3.165 70 HA LEU 11 HA LEU 11 -8.692 -0.092 -3.462 71 HB2 LEU 11 2HB LEU 11 -9.858 2.663 -3.867 72 HB3 LEU 11 3HB LEU 11 -8.216 2.217 -4.283 73 HG LEU 11 HG LEU 11 -10.746 1.673 -5.687 74 HD11 LEU 11 1HD1 LEU 11 -7.904 2.284 -6.312 75 HD12 LEU 11 2HD1 LEU 11 -8.831 1.378 -7.533 76 HD13 LEU 11 3HD1 LEU 11 -9.406 2.969 -6.978 77 HD21 LEU 11 1HD2 LEU 11 -8.639 -0.501 -5.546 78 HD22 LEU 11 2HD2 LEU 11 -10.297 -0.593 -4.906 79 HD23 LEU 11 3HD2 LEU 11 -10.027 -0.458 -6.660 80 H ALA 12 HN ALA 12 -10.298 2.202 -1.200 81 HA ALA 12 HA ALA 12 -8.052 3.166 0.067 82 HB1 ALA 12 1HB ALA 12 -10.373 2.575 1.807 83 HB2 ALA 12 2HB ALA 12 -9.589 4.129 1.433 84 HB3 ALA 12 3HB ALA 12 -10.778 3.437 0.304 85 H ALA 13 HN ALA 13 -9.601 -0.020 0.210 86 HA ALA 13 HA ALA 13 -8.397 -0.827 2.642 87 HB1 ALA 13 1HB ALA 13 -9.179 -3.050 1.970 88 HB2 ALA 13 2HB ALA 13 -10.442 -1.839 1.643 89 HB3 ALA 13 3HB ALA 13 -9.451 -2.476 0.307 90 H GLY 14 HN GLY 14 -7.537 -1.103 -0.853 91 HA2 GLY 14 1HA GLY 14 -5.219 -2.692 -0.411 92 HA3 GLY 14 2HA GLY 14 -5.651 -1.817 -1.866 93 H SER 15 HN SER 15 -5.924 0.826 -0.504 94 HA SER 15 HA SER 15 -3.338 1.697 -0.862 95 HB2 SER 15 2HB SER 15 -5.653 2.968 -0.794 96 HB3 SER 15 3HB SER 15 -5.300 3.174 0.910 97 HG SER 15 HG SER 15 -4.183 4.880 0.245 98 H LYS 16 HN LYS 16 -4.898 0.167 1.867 99 HA LYS 16 HA LYS 16 -3.522 1.249 3.996 100 HB2 LYS 16 2HB LYS 16 -4.553 -1.566 3.548 101 HB3 LYS 16 3HB LYS 16 -3.983 -0.962 5.090 102 HG2 LYS 16 2HG LYS 16 -6.097 0.590 3.567 103 HG3 LYS 16 3HG LYS 16 -6.561 -0.826 4.488 104 HD2 LYS 16 2HD LYS 16 -6.353 0.271 6.475 105 HD3 LYS 16 3HD LYS 16 -4.775 0.903 6.050 106 HE2 LYS 16 2HE LYS 16 -7.438 2.064 5.101 107 HE3 LYS 16 3HE LYS 16 -6.461 2.721 6.399 108 HZ1 LYS 16 1HZ LYS 16 -5.834 2.664 3.518 109 HZ2 LYS 16 2HZ LYS 16 -5.783 3.932 4.539 110 H LYS 17 HN LYS 17 -2.618 -1.541 1.863 111 HA LYS 17 HA LYS 17 0.050 -1.437 3.047 112 HB2 LYS 17 2HB LYS 17 -1.667 -3.539 1.968 113 HB3 LYS 17 3HB LYS 17 -0.061 -3.582 1.269 114 HG2 LYS 17 2HG LYS 17 0.797 -3.312 3.733 115 HG3 LYS 17 3HG LYS 17 -0.832 -3.753 4.205 116 HD2 LYS 17 2HD LYS 17 0.126 -5.869 4.137 117 HD3 LYS 17 3HD LYS 17 -0.453 -5.767 2.486 118 HE2 LYS 17 2HE LYS 17 2.270 -4.620 2.954 119 HE3 LYS 17 3HE LYS 17 2.144 -6.354 3.165 120 HZ1 LYS 17 1HZ LYS 17 0.828 -5.341 0.789 121 HZ2 LYS 17 2HZ LYS 17 2.447 -5.171 0.777 122 H21 ACA 18 1HA ACA 18 -0.249 -4.761 -3.599 123 H22 ACA 18 2HA ACA 18 -1.076 -4.978 -5.129 124 H31 ACA 18 2HB ACA 18 -1.851 -2.865 -4.340 125 H32 ACA 18 3HB ACA 18 -0.659 -2.460 -5.558 126 H41 ACA 18 2HG ACA 18 0.688 -1.432 -4.037 127 H42 ACA 18 3HG ACA 18 0.616 -2.797 -2.941 128 H51 ACA 18 2HD ACA 18 -1.712 -1.989 -2.234 129 H52 ACA 18 3HD ACA 18 -1.428 -0.544 -3.184 130 H61 ACA 18 2HE ACA 18 0.863 -1.036 -1.632 131 H62 ACA 18 3HE ACA 18 -0.226 0.816 -1.436 132 HN61 ACA 18 HN ACA 18 -1.474 -1.791 -0.240 133 H LYS 19 HN LYS 19 0.516 -3.378 -6.975 134 HA LYS 19 HA LYS 19 1.138 -6.199 -7.158 135 HB2 LYS 19 2HB LYS 19 -0.603 -5.398 -8.594 136 HB3 LYS 19 3HB LYS 19 0.391 -4.085 -9.191 137 HG2 LYS 19 2HG LYS 19 1.679 -5.480 -10.554 138 HG3 LYS 19 3HG LYS 19 1.476 -6.874 -9.510 139 HD2 LYS 19 2HD LYS 19 0.160 -7.368 -11.440 140 HD3 LYS 19 3HD LYS 19 -1.004 -6.891 -10.221 141 HE2 LYS 19 2HE LYS 19 -0.401 -4.441 -11.361 142 HE3 LYS 19 3HE LYS 19 -0.230 -5.504 -12.742 143 HZ1 LYS 19 1HZ LYS 19 -2.506 -6.435 -11.870 144 HZ2 LYS 19 2HZ LYS 19 -2.637 -4.984 -11.143 145 H ASN 20 HN ASN 20 2.476 -3.136 -8.601 146 HA ASN 20 HA ASN 20 5.093 -4.366 -8.264 147 HB2 ASN 20 2HB ASN 20 3.867 -3.051 -10.706 148 HB3 ASN 20 3HB ASN 20 5.593 -2.880 -10.450 149 HD21 ASN 20 1HD2 ASN 20 6.869 -4.821 -10.141 150 HD22 ASN 20 2HD2 ASN 20 6.432 -6.288 -10.950 151 H GLU 21 HN GLU 21 6.845 -2.743 -7.934 152 HA GLU 21 HA GLU 21 6.162 -0.700 -6.281 153 HB2 GLU 21 2HB GLU 21 8.487 0.102 -6.596 154 HB3 GLU 21 3HB GLU 21 8.429 -1.641 -6.423 155 HG2 GLU 21 2HG GLU 21 8.481 -1.856 -8.942 156 HG3 GLU 21 3HG GLU 21 8.640 -0.115 -9.062 157 HE2 GLU 21 2HE GLU 21 11.850 -0.146 -8.922 158 H GLN 22 HN GLN 22 6.775 -0.626 -9.842 159 HA GLN 22 HA GLN 22 6.770 2.034 -10.259 160 HB2 GLN 22 2HB GLN 22 5.642 -0.253 -11.908 161 HB3 GLN 22 3HB GLN 22 5.616 1.392 -12.512 162 HG2 GLN 22 2HG GLN 22 8.252 0.738 -11.410 163 HG3 GLN 22 3HG GLN 22 7.783 -0.434 -12.626 164 HE21 GLN 22 1HE2 GLN 22 7.386 3.075 -12.115 165 HE22 GLN 22 2HE2 GLN 22 7.929 3.586 -13.679 166 H GLU 23 HN GLU 23 3.955 -0.123 -9.678 167 HA GLU 23 HA GLU 23 1.990 1.688 -10.354 168 HB2 GLU 23 2HB GLU 23 1.703 -0.785 -9.907 169 HB3 GLU 23 3HB GLU 23 1.854 -0.459 -8.191 170 HG2 GLU 23 2HG GLU 23 -0.343 0.080 -8.085 171 HG3 GLU 23 3HG GLU 23 -0.089 1.389 -9.222 172 HE2 GLU 23 2HE GLU 23 -1.232 -2.260 -9.943 173 H LEU 24 HN LEU 24 3.797 1.161 -7.285 174 HA LEU 24 HA LEU 24 2.247 2.834 -5.685 175 HB2 LEU 24 2HB LEU 24 4.361 1.156 -5.333 176 HB3 LEU 24 3HB LEU 24 5.141 2.714 -5.141 177 HG LEU 24 HG LEU 24 4.534 2.015 -2.975 178 HD11 LEU 24 1HD1 LEU 24 2.782 4.150 -4.130 179 HD12 LEU 24 2HD1 LEU 24 2.525 3.633 -2.446 180 HD13 LEU 24 3HD1 LEU 24 4.109 4.268 -2.949 181 HD21 LEU 24 1HD2 LEU 24 3.012 0.227 -3.488 182 HD22 LEU 24 2HD2 LEU 24 2.219 1.349 -2.355 183 HD23 LEU 24 3HD2 LEU 24 1.788 1.375 -4.082 184 H LEU 25 HN LEU 25 5.355 3.524 -7.441 185 HA LEU 25 HA LEU 25 5.387 6.232 -6.827 186 HB2 LEU 25 2HB LEU 25 6.534 4.803 -9.229 187 HB3 LEU 25 3HB LEU 25 6.974 6.410 -8.685 188 HG LEU 25 HG LEU 25 8.691 5.248 -7.763 189 HD11 LEU 25 1HD1 LEU 25 7.459 6.301 -5.906 190 HD12 LEU 25 2HD1 LEU 25 6.596 4.770 -5.627 191 HD13 LEU 25 3HD1 LEU 25 8.358 4.853 -5.394 192 HD21 LEU 25 1HD2 LEU 25 7.408 2.816 -6.764 193 HD22 LEU 25 2HD2 LEU 25 7.251 3.023 -8.525 194 HD23 LEU 25 3HD2 LEU 25 8.862 3.023 -7.769 195 H GLU 26 HN GLU 26 3.482 4.367 -9.131 196 HA GLU 26 HA GLU 26 2.908 6.384 -10.921 197 HB2 GLU 26 2HB GLU 26 2.144 3.703 -10.497 198 HB3 GLU 26 3HB GLU 26 0.636 4.593 -10.440 199 HG2 GLU 26 2HG GLU 26 1.127 5.646 -12.626 200 HG3 GLU 26 3HG GLU 26 2.702 4.877 -12.673 201 HE2 GLU 26 2HE GLU 26 -0.452 4.296 -13.795 202 H LEU 27 HN LEU 27 1.329 5.430 -7.816 203 HA LEU 27 HA LEU 27 -0.653 7.491 -8.088 204 HB2 LEU 27 2HB LEU 27 0.045 5.559 -5.876 205 HB3 LEU 27 3HB LEU 27 -1.246 6.738 -5.762 206 HG LEU 27 HG LEU 27 -1.523 4.164 -6.630 207 HD11 LEU 27 1HD1 LEU 27 -3.307 5.638 -5.848 208 HD12 LEU 27 2HD1 LEU 27 -3.258 6.531 -7.386 209 HD13 LEU 27 3HD1 LEU 27 -3.762 4.825 -7.364 210 HD21 LEU 27 1HD2 LEU 27 -1.305 5.903 -9.101 211 HD22 LEU 27 2HD2 LEU 27 -0.321 4.478 -8.688 212 HD23 LEU 27 3HD2 LEU 27 -2.051 4.287 -9.058 213 H ASP 28 HN ASP 28 2.574 7.085 -6.712 214 HA ASP 28 HA ASP 28 2.459 9.102 -4.834 215 HB2 ASP 28 2HB ASP 28 4.306 7.335 -5.311 216 HB3 ASP 28 3HB ASP 28 4.895 8.438 -6.539 217 HD2 ASP 28 2HD ASP 28 6.930 8.543 -4.130 218 H LYS 29 HN LYS 29 2.477 9.122 -8.334 219 HA LYS 29 HA LYS 29 3.640 11.725 -8.616 220 HB2 LYS 29 2HB LYS 29 2.242 9.852 -10.541 221 HB3 LYS 29 3HB LYS 29 2.869 11.420 -11.007 222 HG2 LYS 29 2HG LYS 29 4.655 9.438 -9.557 223 HG3 LYS 29 3HG LYS 29 4.395 9.286 -11.284 224 HD2 LYS 29 2HD LYS 29 4.943 11.993 -11.056 225 HD3 LYS 29 3HD LYS 29 5.942 11.335 -9.776 226 HE2 LYS 29 2HE LYS 29 6.993 9.750 -11.381 227 HE3 LYS 29 3HE LYS 29 5.957 10.336 -12.666 228 HZ1 LYS 29 1HZ LYS 29 7.936 11.556 -12.896 229 HZ2 LYS 29 2HZ LYS 29 6.974 12.616 -12.118 230 H TRP 30 HN TRP 30 0.807 10.699 -7.243 231 HA TRP 30 HA TRP 30 -1.282 11.976 -8.337 232 HB2 TRP 30 2HB TRP 30 -0.430 11.466 -5.532 233 HB3 TRP 30 3HB TRP 30 -1.767 12.573 -5.778 234 HD1 TRP 30 1HD TRP 30 -1.491 9.164 -4.906 235 HE1 TRP 30 1HE TRP 30 -3.423 7.579 -5.752 236 HE3 TRP 30 3HE TRP 30 -3.234 12.331 -8.482 237 HZ2 TRP 30 2HZ TRP 30 -5.419 7.822 -7.779 238 HZ3 TRP 30 3HZ TRP 30 -5.178 11.580 -9.851 239 HH2 TRP 30 2HH TRP 30 -6.263 9.412 -9.545 240 H ALA 31 HN ALA 31 1.124 13.496 -6.061 241 HA ALA 31 HA ALA 31 0.138 16.078 -6.284 242 HB1 ALA 31 1HB ALA 31 3.060 15.374 -5.891 243 HB2 ALA 31 2HB ALA 31 2.131 16.712 -5.172 244 HB3 ALA 31 3HB ALA 31 1.840 15.038 -4.640 245 H SER 32 HN SER 32 2.911 14.513 -8.041 246 HA SER 32 HA SER 32 3.748 16.473 -9.571 247 HB2 SER 32 2HB SER 32 4.025 13.753 -9.621 248 HB3 SER 32 3HB SER 32 3.147 13.987 -11.119 249 HG SER 32 HG SER 32 5.559 15.426 -10.403 250 H LEU 33 HN LEU 33 0.568 14.904 -9.782 251 HA LEU 33 HA LEU 33 -0.137 15.760 -12.346 252 HB2 LEU 33 2HB LEU 33 -1.209 14.061 -10.677 253 HB3 LEU 33 3HB LEU 33 -2.113 15.452 -10.115 254 HG LEU 33 HG LEU 33 -2.823 15.800 -12.550 255 HD11 LEU 33 1HD1 LEU 33 -2.285 14.360 -14.178 256 HD12 LEU 33 2HD1 LEU 33 -0.949 13.886 -13.099 257 HD13 LEU 33 3HD1 LEU 33 -2.457 12.938 -13.121 258 HD21 LEU 33 1HD2 LEU 33 -4.728 14.999 -11.750 259 HD22 LEU 33 2HD2 LEU 33 -4.161 13.337 -12.042 260 HD23 LEU 33 3HD2 LEU 33 -3.838 14.125 -10.479 261 H TRP 34 HN TRP 34 -1.029 17.183 -9.117 262 HA TRP 34 HA TRP 34 -1.723 19.649 -10.483 263 HB2 TRP 34 2HB TRP 34 -2.649 20.335 -8.368 264 HB3 TRP 34 3HB TRP 34 -3.255 18.753 -8.818 265 HD1 TRP 34 1HD TRP 34 -2.584 16.689 -7.203 266 HE1 TRP 34 1HE TRP 34 -1.547 16.457 -4.787 267 HE3 TRP 34 3HE TRP 34 -0.935 21.488 -6.879 268 HZ2 TRP 34 2HZ TRP 34 -0.184 18.266 -3.051 269 HZ3 TRP 34 3HZ TRP 34 0.239 22.174 -4.790 270 HH2 TRP 34 2HH TRP 34 0.624 20.652 -2.916 271 H ASN 35 HN ASN 35 0.316 18.579 -7.657 272 HA ASN 35 HA ASN 35 2.067 19.484 -6.727 273 HB2 ASN 35 2HB ASN 35 2.990 18.537 -8.940 274 HB3 ASN 35 3HB ASN 35 2.946 20.168 -9.579 275 HD21 ASN 35 1HD2 ASN 35 3.870 18.682 -6.471 276 HD22 ASN 35 2HD2 ASN 35 5.444 19.395 -6.348 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 -21.271 -2.862 -13.418 2 HA2 GLY 1 1HA GLY 1 -18.799 -3.680 -12.269 3 HA3 GLY 1 2HA GLY 1 -18.532 -2.558 -13.588 4 H ILE 2 HN ILE 2 -20.658 -2.980 -10.670 5 HA ILE 2 HA ILE 2 -20.449 -0.074 -10.292 6 HB ILE 2 HB ILE 2 -22.636 -1.665 -9.046 7 HG12 ILE 2 2HG1 ILE 2 -23.883 -0.946 -11.315 8 HG13 ILE 2 3HG1 ILE 2 -22.289 -1.252 -11.978 9 HG21 ILE 2 1HG2 ILE 2 -21.938 1.025 -9.168 10 HG22 ILE 2 2HG2 ILE 2 -23.293 0.871 -10.311 11 HG23 ILE 2 3HG2 ILE 2 -23.490 0.345 -8.622 12 HD11 ILE 2 1HD1 ILE 2 -22.644 -3.426 -10.270 13 HD12 ILE 2 2HD1 ILE 2 -24.279 -3.158 -10.922 14 HD13 ILE 2 3HD1 ILE 2 -22.914 -3.441 -12.029 15 H GLY 3 HN GLY 3 -21.639 -0.372 -7.566 16 HA2 GLY 3 1HA GLY 3 -19.149 -0.958 -6.193 17 HA3 GLY 3 2HA GLY 3 -20.599 -0.235 -5.527 18 H ALA 4 HN ALA 4 -19.150 -3.338 -6.646 19 HA ALA 4 HA ALA 4 -21.143 -5.079 -5.989 20 HB1 ALA 4 1HB ALA 4 -18.122 -5.322 -5.712 21 HB2 ALA 4 2HB ALA 4 -19.247 -6.698 -5.597 22 HB3 ALA 4 3HB ALA 4 -19.119 -5.776 -7.115 23 H PHE 5 HN PHE 5 -18.291 -4.683 -3.792 24 HA PHE 5 HA PHE 5 -20.056 -5.239 -1.564 25 HB2 PHE 5 2HB PHE 5 -17.066 -4.609 -1.494 26 HB3 PHE 5 3HB PHE 5 -17.956 -5.684 -0.434 27 HD1 PHE 5 1HD PHE 5 -19.209 -7.653 -1.889 28 HD2 PHE 5 2HD PHE 5 -15.610 -5.656 -2.925 29 HE1 PHE 5 1HE PHE 5 -18.529 -9.611 -3.304 30 HE2 PHE 5 2HE PHE 5 -14.930 -7.616 -4.340 31 HZ PHE 5 HZ PHE 5 -16.397 -9.569 -4.512 32 H GLY 6 HN GLY 6 -17.411 -2.832 -2.259 33 HA2 GLY 6 1HA GLY 6 -19.038 -0.630 -1.421 34 HA3 GLY 6 2HA GLY 6 -17.883 -1.100 -0.189 35 H LEU 7 HN LEU 7 -18.311 0.226 -3.456 36 HA LEU 7 HA LEU 7 -15.520 0.371 -4.017 37 HB2 LEU 7 2HB LEU 7 -17.802 0.467 -5.494 38 HB3 LEU 7 3HB LEU 7 -17.388 2.169 -5.426 39 HG LEU 7 HG LEU 7 -15.140 0.371 -6.113 40 HD11 LEU 7 1HD1 LEU 7 -16.407 0.696 -8.583 41 HD12 LEU 7 2HD1 LEU 7 -16.171 -0.820 -7.680 42 HD13 LEU 7 3HD1 LEU 7 -17.680 0.105 -7.486 43 HD21 LEU 7 1HD2 LEU 7 -14.357 2.172 -7.243 44 HD22 LEU 7 2HD2 LEU 7 -15.970 2.667 -7.809 45 HD23 LEU 7 3HD2 LEU 7 -15.462 3.028 -6.141 46 H LEU 8 HN LEU 8 -17.527 1.964 -1.808 47 HA LEU 8 HA LEU 8 -16.896 4.608 -2.001 48 HB2 LEU 8 2HB LEU 8 -18.001 2.838 -0.092 49 HB3 LEU 8 3HB LEU 8 -16.780 3.778 0.744 50 HG LEU 8 HG LEU 8 -18.977 4.807 0.941 51 HD11 LEU 8 1HD1 LEU 8 -18.354 7.026 0.515 52 HD12 LEU 8 2HD1 LEU 8 -16.814 6.161 0.742 53 HD13 LEU 8 3HD1 LEU 8 -17.368 6.577 -0.898 54 HD21 LEU 8 1HD2 LEU 8 -18.927 4.907 -2.086 55 HD22 LEU 8 2HD2 LEU 8 -20.071 4.027 -1.044 56 HD23 LEU 8 3HD2 LEU 8 -20.075 5.807 -1.064 57 H GLY 9 HN GLY 9 -14.894 1.900 -0.749 58 HA2 GLY 9 1HA GLY 9 -12.502 3.426 -1.220 59 HA3 GLY 9 2HA GLY 9 -12.850 3.201 0.483 60 H PHE 10 HN PHE 10 -13.753 0.877 -2.103 61 HA PHE 10 HA PHE 10 -12.789 -1.319 -0.745 62 HB2 PHE 10 2HB PHE 10 -14.279 -1.779 -2.528 63 HB3 PHE 10 3HB PHE 10 -13.593 -0.527 -3.546 64 HD1 PHE 10 1HD PHE 10 -13.191 -1.658 -5.550 65 HD2 PHE 10 2HD PHE 10 -11.809 -3.350 -1.912 66 HE1 PHE 10 1HE PHE 10 -11.926 -3.400 -6.841 67 HE2 PHE 10 2HE PHE 10 -10.544 -5.091 -3.202 68 HZ PHE 10 HZ PHE 10 -10.617 -5.096 -5.651 69 H LEU 11 HN LEU 11 -11.226 0.693 -3.315 70 HA LEU 11 HA LEU 11 -8.877 -0.943 -3.297 71 HB2 LEU 11 2HB LEU 11 -9.528 1.708 -4.585 72 HB3 LEU 11 3HB LEU 11 -8.009 0.861 -4.795 73 HG LEU 11 HG LEU 11 -9.103 0.183 -6.677 74 HD11 LEU 11 1HD1 LEU 11 -9.927 -2.101 -6.427 75 HD12 LEU 11 2HD1 LEU 11 -8.486 -1.826 -5.418 76 HD13 LEU 11 3HD1 LEU 11 -10.102 -1.860 -4.671 77 HD21 LEU 11 1HD2 LEU 11 -11.430 0.009 -7.019 78 HD22 LEU 11 2HD2 LEU 11 -11.764 -0.092 -5.274 79 HD23 LEU 11 3HD2 LEU 11 -11.200 1.439 -5.985 80 H ALA 12 HN ALA 12 -9.866 2.283 -2.008 81 HA ALA 12 HA ALA 12 -7.431 3.088 -1.028 82 HB1 ALA 12 1HB ALA 12 -10.295 3.641 -0.531 83 HB2 ALA 12 2HB ALA 12 -9.223 4.016 0.840 84 HB3 ALA 12 3HB ALA 12 -8.932 4.766 -0.748 85 H ALA 13 HN ALA 13 -9.767 0.698 0.250 86 HA ALA 13 HA ALA 13 -8.637 0.473 2.805 87 HB1 ALA 13 1HB ALA 13 -9.983 -1.524 2.964 88 HB2 ALA 13 2HB ALA 13 -10.907 -0.326 2.025 89 HB3 ALA 13 3HB ALA 13 -10.080 -1.665 1.193 90 H GLY 14 HN GLY 14 -7.998 -1.181 -0.338 91 HA2 GLY 14 1HA GLY 14 -6.125 -3.036 0.700 92 HA3 GLY 14 2HA GLY 14 -6.350 -2.576 -0.977 93 H SER 15 HN SER 15 -5.929 0.343 -0.488 94 HA SER 15 HA SER 15 -3.189 0.370 -0.895 95 HB2 SER 15 2HB SER 15 -5.292 2.476 -0.376 96 HB3 SER 15 3HB SER 15 -3.604 2.949 -0.377 97 HG SER 15 HG SER 15 -4.871 1.494 -2.538 98 H LYS 16 HN LYS 16 -5.033 0.055 1.986 99 HA LYS 16 HA LYS 16 -3.554 1.550 3.800 100 HB2 LYS 16 2HB LYS 16 -5.081 -1.041 4.190 101 HB3 LYS 16 3HB LYS 16 -4.510 -0.007 5.484 102 HG2 LYS 16 2HG LYS 16 -6.248 1.125 3.264 103 HG3 LYS 16 3HG LYS 16 -6.975 0.285 4.619 104 HD2 LYS 16 2HD LYS 16 -6.396 1.941 6.150 105 HD3 LYS 16 3HD LYS 16 -4.937 2.387 5.287 106 HE2 LYS 16 2HE LYS 16 -6.016 4.029 4.141 107 HE3 LYS 16 3HE LYS 16 -7.285 2.933 3.633 108 HZ1 LYS 16 1HZ LYS 16 -8.629 3.824 5.178 109 HZ2 LYS 16 2HZ LYS 16 -7.586 3.507 6.389 110 H LYS 17 HN LYS 17 -3.089 -1.785 2.508 111 HA LYS 17 HA LYS 17 -0.382 -1.665 3.638 112 HB2 LYS 17 2HB LYS 17 -2.453 -3.803 3.850 113 HB3 LYS 17 3HB LYS 17 -0.794 -4.313 3.609 114 HG2 LYS 17 2HG LYS 17 -0.711 -2.229 5.567 115 HG3 LYS 17 3HG LYS 17 -2.048 -3.268 6.018 116 HD2 LYS 17 2HD LYS 17 -0.181 -5.172 5.403 117 HD3 LYS 17 3HD LYS 17 0.884 -3.877 5.913 118 HE2 LYS 17 2HE LYS 17 0.477 -4.539 8.050 119 HE3 LYS 17 3HE LYS 17 -1.118 -3.836 7.871 120 HZ1 LYS 17 1HZ LYS 17 -0.824 -6.371 8.466 121 HZ2 LYS 17 2HZ LYS 17 -2.057 -5.897 7.513 122 H21 ACA 18 1HA ACA 18 0.898 -5.730 -3.474 123 H22 ACA 18 2HA ACA 18 1.732 -7.073 -2.720 124 H31 ACA 18 2HB ACA 18 0.112 -7.059 -1.126 125 H32 ACA 18 3HB ACA 18 -0.976 -7.710 -2.335 126 H41 ACA 18 2HG ACA 18 -2.081 -5.716 -2.607 127 H42 ACA 18 3HG ACA 18 -0.606 -4.772 -2.546 128 H51 ACA 18 2HD ACA 18 -0.890 -5.808 0.074 129 H52 ACA 18 3HD ACA 18 -2.518 -5.363 -0.400 130 H61 ACA 18 2HE ACA 18 -0.052 -3.675 -0.498 131 H62 ACA 18 3HE ACA 18 -1.810 -2.774 -1.366 132 HN61 ACA 18 HN ACA 18 -2.322 -3.720 1.349 133 H LYS 19 HN LYS 19 -1.009 -6.441 -5.147 134 HA LYS 19 HA LYS 19 -1.363 -9.271 -4.447 135 HB2 LYS 19 2HB LYS 19 -2.782 -7.594 -3.232 136 HB3 LYS 19 3HB LYS 19 -3.498 -7.143 -4.766 137 HG2 LYS 19 2HG LYS 19 -4.717 -9.098 -4.939 138 HG3 LYS 19 3HG LYS 19 -3.455 -10.078 -4.219 139 HD2 LYS 19 2HD LYS 19 -5.295 -10.042 -2.651 140 HD3 LYS 19 3HD LYS 19 -4.024 -9.052 -1.964 141 HE2 LYS 19 2HE LYS 19 -5.730 -7.529 -1.697 142 HE3 LYS 19 3HE LYS 19 -5.349 -7.123 -3.359 143 HZ1 LYS 19 1HZ LYS 19 -7.324 -9.237 -2.737 144 HZ2 LYS 19 2HZ LYS 19 -7.770 -7.673 -2.825 145 H ASN 20 HN ASN 20 -2.851 -6.893 -6.758 146 HA ASN 20 HA ASN 20 -3.258 -8.933 -8.642 147 HB2 ASN 20 2HB ASN 20 -4.311 -6.427 -8.246 148 HB3 ASN 20 3HB ASN 20 -3.192 -6.067 -9.546 149 HD21 ASN 20 1HD2 ASN 20 -6.019 -5.939 -9.662 150 HD22 ASN 20 2HD2 ASN 20 -6.587 -7.068 -10.847 151 H GLU 21 HN GLU 21 -2.496 -7.897 -11.128 152 HA GLU 21 HA GLU 21 0.199 -8.543 -11.215 153 HB2 GLU 21 2HB GLU 21 0.026 -7.735 -13.615 154 HB3 GLU 21 3HB GLU 21 -1.175 -8.925 -13.153 155 HG2 GLU 21 2HG GLU 21 -2.267 -6.349 -12.504 156 HG3 GLU 21 3HG GLU 21 -1.586 -6.219 -14.113 157 HE2 GLU 21 2HE GLU 21 -3.508 -8.425 -15.640 158 H GLN 22 HN GLN 22 -1.543 -5.446 -10.919 159 HA GLN 22 HA GLN 22 0.169 -3.622 -11.748 160 HB2 GLN 22 2HB GLN 22 -0.518 -2.333 -9.542 161 HB3 GLN 22 3HB GLN 22 -1.732 -2.736 -10.740 162 HG2 GLN 22 2HG GLN 22 -2.860 -3.979 -9.220 163 HG3 GLN 22 3HG GLN 22 -1.462 -5.012 -8.996 164 HE21 GLN 22 1HE2 GLN 22 -2.093 -1.573 -8.309 165 HE22 GLN 22 2HE2 GLN 22 -1.708 -1.612 -6.621 166 H GLU 23 HN GLU 23 0.306 -4.755 -8.288 167 HA GLU 23 HA GLU 23 2.611 -3.633 -7.583 168 HB2 GLU 23 2HB GLU 23 0.947 -5.338 -6.367 169 HB3 GLU 23 3HB GLU 23 2.189 -6.506 -6.771 170 HG2 GLU 23 2HG GLU 23 2.818 -5.713 -4.616 171 HG3 GLU 23 3HG GLU 23 3.885 -4.859 -5.715 172 HE2 GLU 23 2HE GLU 23 0.862 -2.443 -4.890 173 H LEU 24 HN LEU 24 2.252 -6.774 -9.346 174 HA LEU 24 HA LEU 24 4.775 -7.684 -9.386 175 HB2 LEU 24 2HB LEU 24 2.451 -8.207 -10.736 176 HB3 LEU 24 3HB LEU 24 3.506 -7.691 -12.037 177 HG LEU 24 HG LEU 24 3.518 -10.121 -11.751 178 HD11 LEU 24 1HD1 LEU 24 6.167 -10.166 -11.125 179 HD12 LEU 24 2HD1 LEU 24 5.504 -9.716 -12.714 180 HD13 LEU 24 3HD1 LEU 24 5.938 -8.450 -11.540 181 HD21 LEU 24 1HD2 LEU 24 3.080 -10.082 -9.281 182 HD22 LEU 24 2HD2 LEU 24 4.340 -11.226 -9.802 183 HD23 LEU 24 3HD2 LEU 24 4.798 -9.681 -9.044 184 H LEU 25 HN LEU 25 3.506 -5.427 -11.944 185 HA LEU 25 HA LEU 25 5.917 -4.898 -13.119 186 HB2 LEU 25 2HB LEU 25 3.530 -3.080 -12.764 187 HB3 LEU 25 3HB LEU 25 4.851 -2.793 -13.880 188 HG LEU 25 HG LEU 25 3.505 -3.791 -15.370 189 HD11 LEU 25 1HD1 LEU 25 4.539 -6.204 -13.870 190 HD12 LEU 25 2HD1 LEU 25 3.695 -6.301 -15.434 191 HD13 LEU 25 3HD1 LEU 25 5.235 -5.418 -15.307 192 HD21 LEU 25 1HD2 LEU 25 1.730 -3.848 -13.430 193 HD22 LEU 25 2HD2 LEU 25 1.478 -4.772 -14.931 194 HD23 LEU 25 3HD2 LEU 25 2.064 -5.596 -13.466 195 H GLU 26 HN GLU 26 4.485 -3.520 -10.137 196 HA GLU 26 HA GLU 26 6.190 -1.404 -9.833 197 HB2 GLU 26 2HB GLU 26 4.153 -2.616 -8.352 198 HB3 GLU 26 3HB GLU 26 5.548 -2.779 -7.302 199 HG2 GLU 26 2HG GLU 26 4.724 -0.658 -6.697 200 HG3 GLU 26 3HG GLU 26 5.988 -0.247 -7.840 201 HE2 GLU 26 2HE GLU 26 4.150 1.019 -10.187 202 H LEU 27 HN LEU 27 6.589 -4.864 -8.888 203 HA LEU 27 HA LEU 27 9.152 -4.353 -7.707 204 HB2 LEU 27 2HB LEU 27 7.611 -6.876 -8.313 205 HB3 LEU 27 3HB LEU 27 9.193 -6.862 -7.558 206 HG LEU 27 HG LEU 27 6.806 -6.857 -6.231 207 HD11 LEU 27 1HD1 LEU 27 8.983 -7.473 -5.309 208 HD12 LEU 27 2HD1 LEU 27 9.446 -5.756 -5.227 209 HD13 LEU 27 3HD1 LEU 27 8.110 -6.367 -4.221 210 HD21 LEU 27 1HD2 LEU 27 6.613 -4.633 -5.132 211 HD22 LEU 27 2HD2 LEU 27 7.766 -3.985 -6.324 212 HD23 LEU 27 3HD2 LEU 27 6.192 -4.619 -6.861 213 H ASP 28 HN ASP 28 7.827 -5.190 -10.871 214 HA ASP 28 HA ASP 28 10.074 -6.380 -11.938 215 HB2 ASP 28 2HB ASP 28 7.715 -6.198 -12.933 216 HB3 ASP 28 3HB ASP 28 8.112 -4.557 -13.401 217 HD2 ASP 28 2HD ASP 28 7.953 -7.360 -15.210 218 H LYS 29 HN LYS 29 9.357 -3.086 -11.002 219 HA LYS 29 HA LYS 29 11.186 -1.848 -12.827 220 HB2 LYS 29 2HB LYS 29 9.643 -0.840 -10.423 221 HB3 LYS 29 3HB LYS 29 10.711 0.170 -11.376 222 HG2 LYS 29 2HG LYS 29 8.627 -1.456 -12.833 223 HG3 LYS 29 3HG LYS 29 8.094 -0.039 -11.950 224 HD2 LYS 29 2HD LYS 29 10.515 0.492 -13.555 225 HD3 LYS 29 3HD LYS 29 9.177 -0.065 -14.541 226 HE2 LYS 29 2HE LYS 29 7.727 1.716 -13.735 227 HE3 LYS 29 3HE LYS 29 8.870 2.168 -12.485 228 HZ1 LYS 29 1HZ LYS 29 9.116 3.669 -14.330 229 HZ2 LYS 29 2HZ LYS 29 10.454 2.742 -14.312 230 H TRP 30 HN TRP 30 11.647 -3.944 -10.306 231 HA TRP 30 HA TRP 30 13.375 -2.911 -8.535 232 HB2 TRP 30 2HB TRP 30 13.171 -5.545 -9.905 233 HB3 TRP 30 3HB TRP 30 14.631 -5.225 -8.989 234 HD1 TRP 30 1HD TRP 30 11.643 -6.997 -8.365 235 HE1 TRP 30 1HE TRP 30 10.789 -7.010 -5.868 236 HE3 TRP 30 3HE TRP 30 14.418 -3.017 -6.843 237 HZ2 TRP 30 2HZ TRP 30 11.357 -5.391 -3.588 238 HZ3 TRP 30 3HZ TRP 30 14.209 -2.297 -4.465 239 HH2 TRP 30 2HH TRP 30 12.744 -3.414 -2.860 240 H ALA 31 HN ALA 31 14.193 -4.049 -11.890 241 HA ALA 31 HA ALA 31 16.882 -3.237 -11.739 242 HB1 ALA 31 1HB ALA 31 16.998 -4.108 -13.854 243 HB2 ALA 31 2HB ALA 31 15.424 -4.804 -13.397 244 HB3 ALA 31 3HB ALA 31 15.490 -3.319 -14.377 245 H SER 32 HN SER 32 13.840 -1.648 -12.817 246 HA SER 32 HA SER 32 14.797 0.475 -14.129 247 HB2 SER 32 2HB SER 32 12.607 1.008 -14.036 248 HB3 SER 32 3HB SER 32 12.372 -0.238 -12.826 249 HG SER 32 HG SER 32 12.724 2.573 -12.494 250 H LEU 33 HN LEU 33 15.208 -0.304 -10.723 251 HA LEU 33 HA LEU 33 15.801 2.345 -9.872 252 HB2 LEU 33 2HB LEU 33 15.412 -0.227 -8.716 253 HB3 LEU 33 3HB LEU 33 16.972 0.367 -8.183 254 HG LEU 33 HG LEU 33 15.585 1.151 -6.526 255 HD11 LEU 33 1HD1 LEU 33 15.881 3.389 -6.567 256 HD12 LEU 33 2HD1 LEU 33 16.771 3.021 -8.063 257 HD13 LEU 33 3HD1 LEU 33 15.084 3.582 -8.147 258 HD21 LEU 33 1HD2 LEU 33 13.523 1.108 -8.631 259 HD22 LEU 33 2HD2 LEU 33 13.416 0.716 -6.898 260 HD23 LEU 33 3HD2 LEU 33 13.345 2.413 -7.433 261 H TRP 34 HN TRP 34 17.876 -0.605 -10.358 262 HA TRP 34 HA TRP 34 20.090 1.256 -10.891 263 HB2 TRP 34 2HB TRP 34 21.593 -0.426 -10.087 264 HB3 TRP 34 3HB TRP 34 20.384 -0.084 -8.866 265 HD1 TRP 34 1HD TRP 34 18.715 -2.108 -8.208 266 HE1 TRP 34 1HE TRP 34 18.662 -4.712 -8.637 267 HE3 TRP 34 3HE TRP 34 22.203 -2.101 -11.907 268 HZ2 TRP 34 2HZ TRP 34 20.053 -6.436 -10.435 269 HZ3 TRP 34 3HZ TRP 34 22.798 -4.287 -12.947 270 HH2 TRP 34 2HH TRP 34 21.785 -6.404 -12.268 271 H ASN 35 HN ASN 35 18.826 -2.075 -11.652 272 HA ASN 35 HA ASN 35 18.989 -3.301 -13.445 273 HB2 ASN 35 2HB ASN 35 17.266 -2.072 -14.472 274 HB3 ASN 35 3HB ASN 35 18.184 -0.579 -14.468 275 HD21 ASN 35 1HD2 ASN 35 17.237 -3.330 -16.212 276 HD22 ASN 35 2HD2 ASN 35 18.158 -3.090 -17.660 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -28.751 -2.752 -6.823 2 HA2 GLY 1 1HA GLY 1 -28.904 -2.145 -9.230 3 HA3 GLY 1 2HA GLY 1 -28.791 -0.474 -8.713 4 H ILE 2 HN ILE 2 -26.796 0.223 -7.510 5 HA ILE 2 HA ILE 2 -24.523 -1.552 -7.974 6 HB ILE 2 HB ILE 2 -23.290 0.579 -8.736 7 HG12 ILE 2 2HG1 ILE 2 -24.824 2.076 -10.106 8 HG13 ILE 2 3HG1 ILE 2 -26.167 1.383 -9.219 9 HG21 ILE 2 1HG2 ILE 2 -25.206 -0.419 -10.811 10 HG22 ILE 2 2HG2 ILE 2 -23.452 -0.135 -10.914 11 HG23 ILE 2 3HG2 ILE 2 -24.073 -1.559 -10.045 12 HD11 ILE 2 1HD1 ILE 2 -25.741 2.687 -7.416 13 HD12 ILE 2 2HD1 ILE 2 -24.040 2.165 -7.374 14 HD13 ILE 2 3HD1 ILE 2 -24.527 3.536 -8.402 15 H GLY 3 HN GLY 3 -22.552 -0.780 -6.735 16 HA2 GLY 3 1HA GLY 3 -23.351 0.767 -4.347 17 HA3 GLY 3 2HA GLY 3 -22.527 -0.774 -4.211 18 H ALA 4 HN ALA 4 -22.116 2.119 -6.386 19 HA ALA 4 HA ALA 4 -19.375 1.906 -6.598 20 HB1 ALA 4 1HB ALA 4 -21.194 4.345 -6.714 21 HB2 ALA 4 2HB ALA 4 -19.512 4.303 -7.295 22 HB3 ALA 4 3HB ALA 4 -20.748 3.283 -8.071 23 H PHE 5 HN PHE 5 -21.425 3.395 -4.069 24 HA PHE 5 HA PHE 5 -19.413 4.837 -2.793 25 HB2 PHE 5 2HB PHE 5 -21.824 3.361 -1.583 26 HB3 PHE 5 3HB PHE 5 -21.070 4.801 -0.928 27 HD1 PHE 5 1HD PHE 5 -23.956 3.864 -2.289 28 HD2 PHE 5 2HD PHE 5 -20.841 6.618 -3.133 29 HE1 PHE 5 1HE PHE 5 -25.569 5.292 -3.576 30 HE2 PHE 5 2HE PHE 5 -22.454 8.048 -4.421 31 HZ PHE 5 HZ PHE 5 -24.799 7.368 -4.626 32 H GLY 6 HN GLY 6 -20.744 1.524 -2.104 33 HA2 GLY 6 1HA GLY 6 -19.026 0.947 0.033 34 HA3 GLY 6 2HA GLY 6 -19.884 -0.211 -0.965 35 H LEU 7 HN LEU 7 -18.508 1.039 -3.461 36 HA LEU 7 HA LEU 7 -16.269 -0.746 -3.395 37 HB2 LEU 7 2HB LEU 7 -17.859 -0.362 -5.323 38 HB3 LEU 7 3HB LEU 7 -17.072 1.185 -5.568 39 HG LEU 7 HG LEU 7 -14.891 -0.392 -5.593 40 HD11 LEU 7 1HD1 LEU 7 -15.873 -2.337 -7.208 41 HD12 LEU 7 2HD1 LEU 7 -15.527 -2.545 -5.474 42 HD13 LEU 7 3HD1 LEU 7 -17.188 -2.201 -6.016 43 HD21 LEU 7 1HD2 LEU 7 -14.806 -0.059 -7.902 44 HD22 LEU 7 2HD2 LEU 7 -16.572 -0.179 -8.084 45 HD23 LEU 7 3HD2 LEU 7 -15.853 1.257 -7.318 46 H LEU 8 HN LEU 8 -16.861 2.521 -2.492 47 HA LEU 8 HA LEU 8 -14.346 3.599 -3.212 48 HB2 LEU 8 2HB LEU 8 -16.738 4.587 -2.354 49 HB3 LEU 8 3HB LEU 8 -15.769 4.744 -0.902 50 HG LEU 8 HG LEU 8 -15.633 6.804 -2.071 51 HD11 LEU 8 1HD1 LEU 8 -13.252 7.052 -2.481 52 HD12 LEU 8 2HD1 LEU 8 -13.531 6.005 -1.069 53 HD13 LEU 8 3HD1 LEU 8 -13.070 5.287 -2.631 54 HD21 LEU 8 1HD2 LEU 8 -16.385 6.219 -4.251 55 HD22 LEU 8 2HD2 LEU 8 -14.763 6.930 -4.427 56 HD23 LEU 8 3HD2 LEU 8 -14.977 5.165 -4.528 57 H GLY 9 HN GLY 9 -15.382 1.320 -0.830 58 HA2 GLY 9 1HA GLY 9 -13.106 1.911 0.927 59 HA3 GLY 9 2HA GLY 9 -14.459 0.853 1.270 60 H PHE 10 HN PHE 10 -13.816 0.110 -1.878 61 HA PHE 10 HA PHE 10 -12.460 -2.291 -1.141 62 HB2 PHE 10 2HB PHE 10 -14.220 -1.389 -3.124 63 HB3 PHE 10 3HB PHE 10 -12.709 -1.427 -4.009 64 HD1 PHE 10 1HD PHE 10 -15.178 -3.467 -2.212 65 HD2 PHE 10 2HD PHE 10 -11.648 -3.513 -4.568 66 HE1 PHE 10 1HE PHE 10 -15.448 -5.936 -2.567 67 HE2 PHE 10 2HE PHE 10 -11.919 -5.984 -4.922 68 HZ PHE 10 HZ PHE 10 -13.815 -7.165 -3.918 69 H LEU 11 HN LEU 11 -11.684 0.643 -3.125 70 HA LEU 11 HA LEU 11 -9.059 -0.303 -3.707 71 HB2 LEU 11 2HB LEU 11 -10.377 2.394 -4.039 72 HB3 LEU 11 3HB LEU 11 -8.769 1.999 -4.614 73 HG LEU 11 HG LEU 11 -9.978 1.705 -6.530 74 HD11 LEU 11 1HD1 LEU 11 -8.815 -0.437 -5.834 75 HD12 LEU 11 2HD1 LEU 11 -10.421 -1.051 -5.374 76 HD13 LEU 11 3HD1 LEU 11 -10.093 -0.594 -7.063 77 HD21 LEU 11 1HD2 LEU 11 -12.168 2.049 -5.112 78 HD22 LEU 11 2HD2 LEU 11 -12.231 1.329 -6.737 79 HD23 LEU 11 3HD2 LEU 11 -12.307 0.285 -5.298 80 H ALA 12 HN ALA 12 -10.566 1.933 -1.327 81 HA ALA 12 HA ALA 12 -8.290 3.063 -0.291 82 HB1 ALA 12 1HB ALA 12 -10.423 3.878 0.376 83 HB2 ALA 12 2HB ALA 12 -10.954 2.272 0.930 84 HB3 ALA 12 3HB ALA 12 -9.716 3.165 1.845 85 H ALA 13 HN ALA 13 -9.571 -0.232 0.034 86 HA ALA 13 HA ALA 13 -8.211 -0.998 2.333 87 HB1 ALA 13 1HB ALA 13 -8.736 -3.220 1.643 88 HB2 ALA 13 2HB ALA 13 -10.054 -2.201 1.019 89 HB3 ALA 13 3HB ALA 13 -8.768 -2.759 -0.076 90 H GLY 14 HN GLY 14 -7.218 -0.923 -1.137 91 HA2 GLY 14 1HA GLY 14 -4.775 -2.232 -0.893 92 HA3 GLY 14 2HA GLY 14 -5.192 -1.031 -2.100 93 H SER 15 HN SER 15 -5.755 1.124 -0.097 94 HA SER 15 HA SER 15 -3.139 2.109 0.044 95 HB2 SER 15 2HB SER 15 -5.788 3.056 1.203 96 HB3 SER 15 3HB SER 15 -4.300 3.949 1.444 97 HG SER 15 HG SER 15 -5.944 3.949 -0.726 98 H LYS 16 HN LYS 16 -5.069 0.072 2.110 99 HA LYS 16 HA LYS 16 -3.966 0.807 4.593 100 HB2 LYS 16 2HB LYS 16 -5.173 -1.843 3.745 101 HB3 LYS 16 3HB LYS 16 -4.948 -1.279 5.389 102 HG2 LYS 16 2HG LYS 16 -6.524 0.411 3.424 103 HG3 LYS 16 3HG LYS 16 -7.292 -0.960 4.199 104 HD2 LYS 16 2HD LYS 16 -5.764 0.936 5.970 105 HD3 LYS 16 3HD LYS 16 -7.281 1.511 5.305 106 HE2 LYS 16 2HE LYS 16 -8.500 -0.384 6.273 107 HE3 LYS 16 3HE LYS 16 -7.007 -1.152 6.776 108 HZ1 LYS 16 1HZ LYS 16 -6.836 1.296 7.935 109 HZ2 LYS 16 2HZ LYS 16 -8.434 1.004 8.047 110 H LYS 17 HN LYS 17 -2.699 -0.864 1.824 111 HA LYS 17 HA LYS 17 -0.703 -2.254 3.405 112 HB2 LYS 17 2HB LYS 17 -1.609 -3.532 1.619 113 HB3 LYS 17 3HB LYS 17 -1.418 -2.223 0.469 114 HG2 LYS 17 2HG LYS 17 0.789 -2.705 0.094 115 HG3 LYS 17 3HG LYS 17 1.124 -2.962 1.795 116 HD2 LYS 17 2HD LYS 17 -0.364 -5.176 1.374 117 HD3 LYS 17 3HD LYS 17 0.173 -4.934 -0.276 118 HE2 LYS 17 2HE LYS 17 1.882 -6.298 0.607 119 HE3 LYS 17 3HE LYS 17 2.575 -4.695 0.758 120 HZ1 LYS 17 1HZ LYS 17 1.174 -5.025 3.086 121 HZ2 LYS 17 2HZ LYS 17 1.810 -6.504 2.843 122 H21 ACA 18 1HA ACA 18 3.242 4.855 -0.491 123 H22 ACA 18 2HA ACA 18 4.910 4.315 -0.508 124 H31 ACA 18 2HB ACA 18 3.482 2.651 0.635 125 H32 ACA 18 3HB ACA 18 4.174 1.961 -0.820 126 H41 ACA 18 2HG ACA 18 2.072 2.360 -2.059 127 H42 ACA 18 3HG ACA 18 1.378 3.183 -0.677 128 H51 ACA 18 2HD ACA 18 2.391 0.335 -0.402 129 H52 ACA 18 3HD ACA 18 0.806 0.641 -1.084 130 H61 ACA 18 2HE ACA 18 1.870 1.095 1.625 131 H62 ACA 18 3HE ACA 18 0.374 2.594 1.216 132 HN61 ACA 18 HN ACA 18 -0.716 0.083 0.616 133 H LYS 19 HN LYS 19 5.952 4.488 -2.628 134 HA LYS 19 HA LYS 19 3.876 6.136 -3.893 135 HB2 LYS 19 2HB LYS 19 6.411 7.014 -2.492 136 HB3 LYS 19 3HB LYS 19 5.532 8.046 -3.602 137 HG2 LYS 19 2HG LYS 19 3.625 6.884 -1.768 138 HG3 LYS 19 3HG LYS 19 4.960 7.519 -0.827 139 HD2 LYS 19 2HD LYS 19 3.606 9.144 -3.023 140 HD3 LYS 19 3HD LYS 19 3.034 9.158 -1.367 141 HE2 LYS 19 2HE LYS 19 5.957 9.575 -1.559 142 HE3 LYS 19 3HE LYS 19 5.046 10.799 -2.420 143 HZ1 LYS 19 1HZ LYS 19 5.479 11.025 0.145 144 HZ2 LYS 19 2HZ LYS 19 4.058 11.522 -0.475 145 H ASN 20 HN ASN 20 7.382 6.593 -4.235 146 HA ASN 20 HA ASN 20 7.072 6.058 -7.029 147 HB2 ASN 20 2HB ASN 20 9.328 7.134 -5.282 148 HB3 ASN 20 3HB ASN 20 9.622 6.723 -6.960 149 HD21 ASN 20 1HD2 ASN 20 9.940 9.275 -5.965 150 HD22 ASN 20 2HD2 ASN 20 8.768 10.345 -6.659 151 H GLU 21 HN GLU 21 8.625 4.556 -8.179 152 HA GLU 21 HA GLU 21 8.724 2.085 -6.996 153 HB2 GLU 21 2HB GLU 21 10.083 1.414 -8.925 154 HB3 GLU 21 3HB GLU 21 8.806 2.496 -9.445 155 HG2 GLU 21 2HG GLU 21 11.026 4.160 -8.737 156 HG3 GLU 21 3HG GLU 21 11.685 2.835 -9.677 157 HE2 GLU 21 2HE GLU 21 8.502 4.444 -11.321 158 H GLN 22 HN GLN 22 10.777 4.847 -6.551 159 HA GLN 22 HA GLN 22 13.232 3.906 -6.169 160 HB2 GLN 22 2HB GLN 22 12.169 6.261 -5.699 161 HB3 GLN 22 3HB GLN 22 11.987 5.686 -4.053 162 HG2 GLN 22 2HG GLN 22 14.486 5.093 -4.093 163 HG3 GLN 22 3HG GLN 22 14.588 5.930 -5.630 164 HE21 GLN 22 1HE2 GLN 22 15.240 6.270 -2.520 165 HE22 GLN 22 2HE2 GLN 22 15.007 7.968 -2.266 166 H GLU 23 HN GLU 23 10.448 3.540 -3.900 167 HA GLU 23 HA GLU 23 11.988 2.297 -1.913 168 HB2 GLU 23 2HB GLU 23 9.706 3.463 -1.673 169 HB3 GLU 23 3HB GLU 23 8.986 2.007 -2.329 170 HG2 GLU 23 2HG GLU 23 10.926 1.642 -0.064 171 HG3 GLU 23 3HG GLU 23 9.388 2.383 0.333 172 HE2 GLU 23 2HE GLU 23 7.969 -0.321 0.824 173 H LEU 24 HN LEU 24 10.034 1.138 -4.696 174 HA LEU 24 HA LEU 24 9.886 -1.529 -4.090 175 HB2 LEU 24 2HB LEU 24 9.496 0.169 -6.344 176 HB3 LEU 24 3HB LEU 24 10.406 -1.230 -6.877 177 HG LEU 24 HG LEU 24 8.101 -1.703 -7.213 178 HD11 LEU 24 1HD1 LEU 24 8.502 -3.793 -6.600 179 HD12 LEU 24 2HD1 LEU 24 9.704 -3.245 -5.407 180 HD13 LEU 24 3HD1 LEU 24 7.992 -3.393 -4.942 181 HD21 LEU 24 1HD2 LEU 24 6.364 -1.458 -5.627 182 HD22 LEU 24 2HD2 LEU 24 7.511 -1.184 -4.294 183 HD23 LEU 24 3HD2 LEU 24 7.309 0.049 -5.562 184 H LEU 25 HN LEU 25 12.687 0.431 -4.893 185 HA LEU 25 HA LEU 25 14.274 -1.951 -5.429 186 HB2 LEU 25 2HB LEU 25 15.108 0.950 -5.477 187 HB3 LEU 25 3HB LEU 25 16.006 -0.422 -6.095 188 HG LEU 25 HG LEU 25 15.164 0.205 -8.075 189 HD11 LEU 25 1HD1 LEU 25 13.918 -1.924 -7.399 190 HD12 LEU 25 2HD1 LEU 25 12.498 -0.876 -7.167 191 HD13 LEU 25 3HD1 LEU 25 13.268 -0.989 -8.768 192 HD21 LEU 25 1HD2 LEU 25 14.239 2.231 -7.987 193 HD22 LEU 25 2HD2 LEU 25 12.672 1.392 -7.883 194 HD23 LEU 25 3HD2 LEU 25 13.499 1.919 -6.399 195 H GLU 26 HN GLU 26 13.019 -1.510 -2.786 196 HA GLU 26 HA GLU 26 14.726 -0.402 -0.972 197 HB2 GLU 26 2HB GLU 26 13.666 -2.325 0.555 198 HB3 GLU 26 3HB GLU 26 12.703 -0.978 -0.017 199 HG2 GLU 26 2HG GLU 26 11.454 -2.295 -1.421 200 HG3 GLU 26 3HG GLU 26 12.842 -3.222 -1.951 201 HE2 GLU 26 2HE GLU 26 10.788 -3.141 1.101 202 H LEU 27 HN LEU 27 14.355 -3.998 -1.114 203 HA LEU 27 HA LEU 27 16.977 -4.382 -0.137 204 HB2 LEU 27 2HB LEU 27 14.905 -6.240 -1.300 205 HB3 LEU 27 3HB LEU 27 16.457 -6.792 -0.703 206 HG LEU 27 HG LEU 27 14.163 -6.643 0.767 207 HD11 LEU 27 1HD1 LEU 27 17.035 -6.531 1.725 208 HD12 LEU 27 2HD1 LEU 27 15.639 -6.941 2.751 209 HD13 LEU 27 3HD1 LEU 27 16.064 -7.981 1.371 210 HD21 LEU 27 1HD2 LEU 27 14.472 -4.837 2.429 211 HD22 LEU 27 2HD2 LEU 27 15.764 -4.153 1.415 212 HD23 LEU 27 3HD2 LEU 27 14.095 -4.228 0.800 213 H ASP 28 HN ASP 28 15.578 -3.922 -3.324 214 HA ASP 28 HA ASP 28 17.461 -5.276 -4.813 215 HB2 ASP 28 2HB ASP 28 15.209 -3.863 -5.376 216 HB3 ASP 28 3HB ASP 28 16.393 -2.650 -5.821 217 HD2 ASP 28 2HD ASP 28 17.898 -4.673 -8.189 218 H LYS 29 HN LYS 29 17.595 -2.323 -2.927 219 HA LYS 29 HA LYS 29 19.740 -1.120 -4.390 220 HB2 LYS 29 2HB LYS 29 18.266 -0.526 -1.838 221 HB3 LYS 29 3HB LYS 29 19.777 0.291 -2.180 222 HG2 LYS 29 2HG LYS 29 17.755 0.184 -4.404 223 HG3 LYS 29 3HG LYS 29 17.384 1.227 -3.046 224 HD2 LYS 29 2HD LYS 29 19.995 1.933 -3.453 225 HD3 LYS 29 3HD LYS 29 19.569 1.463 -5.085 226 HE2 LYS 29 2HE LYS 29 18.496 3.438 -5.379 227 HE3 LYS 29 3HE LYS 29 17.380 3.029 -4.092 228 HZ1 LYS 29 1HZ LYS 29 19.791 3.816 -2.900 229 HZ2 LYS 29 2HZ LYS 29 19.438 4.941 -4.023 230 H TRP 30 HN TRP 30 19.572 -3.926 -2.640 231 HA TRP 30 HA TRP 30 21.456 -3.976 -0.742 232 HB2 TRP 30 2HB TRP 30 20.622 -5.899 -2.848 233 HB3 TRP 30 3HB TRP 30 22.098 -6.263 -1.977 234 HD1 TRP 30 1HD TRP 30 18.748 -7.343 -1.741 235 HE1 TRP 30 1HE TRP 30 17.876 -7.937 0.677 236 HE3 TRP 30 3HE TRP 30 22.419 -4.870 0.761 237 HZ2 TRP 30 2HZ TRP 30 18.798 -7.321 3.306 238 HZ3 TRP 30 3HZ TRP 30 22.360 -4.915 3.252 239 HH2 TRP 30 2HH TRP 30 20.631 -6.086 4.522 240 H ALA 31 HN ALA 31 22.095 -4.260 -4.315 241 HA ALA 31 HA ALA 31 24.854 -4.289 -4.141 242 HB1 ALA 31 1HB ALA 31 23.011 -4.516 -6.119 243 HB2 ALA 31 2HB ALA 31 23.602 -2.870 -6.443 244 HB3 ALA 31 3HB ALA 31 24.742 -4.237 -6.424 245 H SER 32 HN SER 32 22.536 -1.523 -4.379 246 HA SER 32 HA SER 32 24.135 0.530 -4.792 247 HB2 SER 32 2HB SER 32 22.188 0.655 -2.468 248 HB3 SER 32 3HB SER 32 22.559 1.904 -3.641 249 HG SER 32 HG SER 32 21.606 0.386 -5.290 250 H LEU 33 HN LEU 33 24.120 -1.554 -1.926 251 HA LEU 33 HA LEU 33 25.536 0.192 -0.223 252 HB2 LEU 33 2HB LEU 33 24.186 -2.137 0.069 253 HB3 LEU 33 3HB LEU 33 25.835 -2.728 0.118 254 HG LEU 33 HG LEU 33 26.349 -1.221 1.983 255 HD11 LEU 33 1HD1 LEU 33 23.835 -0.380 2.901 256 HD12 LEU 33 2HD1 LEU 33 25.159 0.629 2.273 257 HD13 LEU 33 3HD1 LEU 33 23.884 0.048 1.175 258 HD21 LEU 33 1HD2 LEU 33 24.973 -2.318 3.705 259 HD22 LEU 33 2HD2 LEU 33 23.882 -2.922 2.435 260 HD23 LEU 33 3HD2 LEU 33 25.576 -3.467 2.487 261 H TRP 34 HN TRP 34 26.638 -2.750 -2.060 262 HA TRP 34 HA TRP 34 29.311 -1.524 -2.073 263 HB2 TRP 34 2HB TRP 34 30.237 -3.733 -2.167 264 HB3 TRP 34 3HB TRP 34 29.180 -3.591 -0.776 265 HD1 TRP 34 1HD TRP 34 26.972 -5.155 -0.763 266 HE1 TRP 34 1HE TRP 34 26.140 -7.238 -2.153 267 HE3 TRP 34 3HE TRP 34 30.329 -4.632 -4.546 268 HZ2 TRP 34 2HZ TRP 34 26.962 -8.408 -4.624 269 HZ3 TRP 34 3HZ TRP 34 30.247 -6.287 -6.409 270 HH2 TRP 34 2HH TRP 34 28.638 -8.126 -6.487 271 H ASN 35 HN ASN 35 27.127 -3.780 -3.921 272 HA ASN 35 HA ASN 35 26.965 -4.186 -6.059 273 HB2 ASN 35 2HB ASN 35 25.623 -2.245 -6.252 274 HB3 ASN 35 3HB ASN 35 26.950 -1.163 -5.875 275 HD21 ASN 35 1HD2 ASN 35 26.436 -3.787 -8.235 276 HD22 ASN 35 2HD2 ASN 35 26.862 -2.891 -9.655 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 -25.073 -8.006 -5.408 2 HA2 GLY 1 1HA GLY 1 -23.708 -5.483 -5.609 3 HA3 GLY 1 2HA GLY 1 -25.073 -5.439 -4.512 4 H ILE 2 HN ILE 2 -22.116 -5.260 -3.962 5 HA ILE 2 HA ILE 2 -21.881 -7.634 -2.247 6 HB ILE 2 HB ILE 2 -19.666 -5.905 -3.351 7 HG12 ILE 2 2HG1 ILE 2 -20.391 -8.698 -4.254 8 HG13 ILE 2 3HG1 ILE 2 -21.001 -7.263 -5.055 9 HG21 ILE 2 1HG2 ILE 2 -19.643 -8.503 -1.793 10 HG22 ILE 2 2HG2 ILE 2 -18.222 -7.777 -2.583 11 HG23 ILE 2 3HG2 ILE 2 -19.041 -6.916 -1.257 12 HD11 ILE 2 1HD1 ILE 2 -18.503 -6.500 -5.174 13 HD12 ILE 2 2HD1 ILE 2 -18.124 -8.198 -4.803 14 HD13 ILE 2 3HD1 ILE 2 -19.039 -7.792 -6.275 15 H GLY 3 HN GLY 3 -20.422 -4.311 -2.331 16 HA2 GLY 3 1HA GLY 3 -21.600 -3.814 0.319 17 HA3 GLY 3 2HA GLY 3 -19.864 -3.699 0.110 18 H ALA 4 HN ALA 4 -22.518 -1.813 0.363 19 HA ALA 4 HA ALA 4 -22.436 -0.115 -1.846 20 HB1 ALA 4 1HB ALA 4 -23.845 -0.363 0.579 21 HB2 ALA 4 2HB ALA 4 -23.079 1.242 0.650 22 HB3 ALA 4 3HB ALA 4 -24.140 0.821 -0.716 23 H PHE 5 HN PHE 5 -21.090 0.524 1.475 24 HA PHE 5 HA PHE 5 -19.424 2.587 0.438 25 HB2 PHE 5 2HB PHE 5 -18.907 2.866 2.778 26 HB3 PHE 5 3HB PHE 5 -20.545 2.242 2.796 27 HD1 PHE 5 1HD PHE 5 -18.381 2.119 4.997 28 HD2 PHE 5 2HD PHE 5 -19.666 -0.659 2.059 29 HE1 PHE 5 1HE PHE 5 -17.642 0.223 6.467 30 HE2 PHE 5 2HE PHE 5 -18.929 -2.556 3.528 31 HZ PHE 5 HZ PHE 5 -17.925 -2.092 5.715 32 H GLY 6 HN GLY 6 -19.211 -0.702 0.080 33 HA2 GLY 6 1HA GLY 6 -16.420 -1.061 0.747 34 HA3 GLY 6 2HA GLY 6 -17.501 -2.212 -0.011 35 H LEU 7 HN LEU 7 -18.274 0.230 -1.912 36 HA LEU 7 HA LEU 7 -16.147 -0.389 -3.809 37 HB2 LEU 7 2HB LEU 7 -17.688 -0.294 -5.408 38 HB3 LEU 7 3HB LEU 7 -18.820 -0.506 -4.086 39 HG LEU 7 HG LEU 7 -18.580 2.216 -4.120 40 HD11 LEU 7 1HD1 LEU 7 -18.031 3.100 -6.097 41 HD12 LEU 7 2HD1 LEU 7 -17.274 1.526 -6.437 42 HD13 LEU 7 3HD1 LEU 7 -18.925 1.860 -7.009 43 HD21 LEU 7 1HD2 LEU 7 -20.684 1.120 -3.957 44 HD22 LEU 7 2HD2 LEU 7 -20.754 2.172 -5.391 45 HD23 LEU 7 3HD2 LEU 7 -20.522 0.418 -5.585 46 H LEU 8 HN LEU 8 -17.591 2.227 -1.893 47 HA LEU 8 HA LEU 8 -16.282 4.306 -3.327 48 HB2 LEU 8 2HB LEU 8 -18.157 4.019 -1.149 49 HB3 LEU 8 3HB LEU 8 -16.917 5.187 -0.739 50 HG LEU 8 HG LEU 8 -18.968 6.156 -1.782 51 HD11 LEU 8 1HD1 LEU 8 -16.686 6.728 -3.639 52 HD12 LEU 8 2HD1 LEU 8 -17.821 7.844 -2.840 53 HD13 LEU 8 3HD1 LEU 8 -16.516 7.077 -1.902 54 HD21 LEU 8 1HD2 LEU 8 -18.007 5.031 -4.410 55 HD22 LEU 8 2HD2 LEU 8 -19.213 4.189 -3.407 56 HD23 LEU 8 3HD2 LEU 8 -19.555 5.823 -4.024 57 H GLY 9 HN GLY 9 -15.150 1.815 -1.339 58 HA2 GLY 9 1HA GLY 9 -12.660 3.301 -0.869 59 HA3 GLY 9 2HA GLY 9 -13.447 2.515 0.485 60 H PHE 10 HN PHE 10 -13.544 1.238 -2.862 61 HA PHE 10 HA PHE 10 -12.671 -1.291 -2.022 62 HB2 PHE 10 2HB PHE 10 -14.126 -0.662 -4.032 63 HB3 PHE 10 3HB PHE 10 -12.721 0.069 -4.784 64 HD1 PHE 10 1HD PHE 10 -13.638 -3.208 -3.225 65 HD2 PHE 10 2HD PHE 10 -11.665 -1.186 -6.392 66 HE1 PHE 10 1HE PHE 10 -13.049 -5.414 -4.267 67 HE2 PHE 10 2HE PHE 10 -11.077 -3.393 -7.433 68 HZ PHE 10 HZ PHE 10 -11.776 -5.480 -6.358 69 H LEU 11 HN LEU 11 -11.029 1.482 -3.640 70 HA LEU 11 HA LEU 11 -8.599 0.006 -3.961 71 HB2 LEU 11 2HB LEU 11 -9.167 2.961 -4.239 72 HB3 LEU 11 3HB LEU 11 -7.708 2.139 -4.756 73 HG LEU 11 HG LEU 11 -8.857 2.344 -6.738 74 HD11 LEU 11 1HD1 LEU 11 -9.712 -0.331 -5.606 75 HD12 LEU 11 2HD1 LEU 11 -9.836 0.121 -7.324 76 HD13 LEU 11 3HD1 LEU 11 -8.241 0.039 -6.537 77 HD21 LEU 11 1HD2 LEU 11 -10.992 2.935 -6.877 78 HD22 LEU 11 2HD2 LEU 11 -11.528 1.400 -6.152 79 HD23 LEU 11 3HD2 LEU 11 -11.093 2.774 -5.107 80 H ALA 12 HN ALA 12 -9.906 2.497 -1.705 81 HA ALA 12 HA ALA 12 -7.581 2.962 -0.284 82 HB1 ALA 12 1HB ALA 12 -10.502 3.297 0.084 83 HB2 ALA 12 2HB ALA 12 -9.564 3.212 1.593 84 HB3 ALA 12 3HB ALA 12 -9.173 4.445 0.371 85 H ALA 13 HN ALA 13 -9.806 0.201 -0.304 86 HA ALA 13 HA ALA 13 -9.212 -0.894 2.169 87 HB1 ALA 13 1HB ALA 13 -9.730 -2.405 -0.420 88 HB2 ALA 13 2HB ALA 13 -10.103 -2.930 1.239 89 HB3 ALA 13 3HB ALA 13 -11.003 -1.578 0.511 90 H GLY 14 HN GLY 14 -7.508 -1.133 -1.005 91 HA2 GLY 14 1HA GLY 14 -5.587 -3.029 -0.172 92 HA3 GLY 14 2HA GLY 14 -5.484 -1.952 -1.550 93 H SER 15 HN SER 15 -5.844 0.535 0.089 94 HA SER 15 HA SER 15 -3.100 0.795 0.792 95 HB2 SER 15 2HB SER 15 -4.190 2.635 -0.363 96 HB3 SER 15 3HB SER 15 -5.460 2.720 0.842 97 HG SER 15 HG SER 15 -3.978 3.508 2.383 98 H LYS 16 HN LYS 16 -5.579 -0.654 2.373 99 HA LYS 16 HA LYS 16 -5.699 0.587 4.860 100 HB2 LYS 16 2HB LYS 16 -6.134 -2.280 3.993 101 HB3 LYS 16 3HB LYS 16 -6.440 -1.717 5.623 102 HG2 LYS 16 2HG LYS 16 -7.644 -0.216 3.283 103 HG3 LYS 16 3HG LYS 16 -8.391 -1.706 3.823 104 HD2 LYS 16 2HD LYS 16 -7.704 0.412 5.873 105 HD3 LYS 16 3HD LYS 16 -9.122 0.634 4.868 106 HE2 LYS 16 2HE LYS 16 -9.263 -2.067 5.727 107 HE3 LYS 16 3HE LYS 16 -8.735 -1.176 7.141 108 HZ1 LYS 16 1HZ LYS 16 -10.969 -0.092 5.566 109 HZ2 LYS 16 2HZ LYS 16 -11.266 -1.332 6.578 110 H LYS 17 HN LYS 17 -3.501 -1.973 3.566 111 HA LYS 17 HA LYS 17 -1.871 -1.589 5.977 112 HB2 LYS 17 2HB LYS 17 -2.014 -3.949 4.076 113 HB3 LYS 17 3HB LYS 17 -0.920 -3.816 5.439 114 HG2 LYS 17 2HG LYS 17 -2.719 -3.843 7.033 115 HG3 LYS 17 3HG LYS 17 -3.925 -3.507 5.806 116 HD2 LYS 17 2HD LYS 17 -3.196 -5.772 4.729 117 HD3 LYS 17 3HD LYS 17 -2.382 -6.092 6.246 118 HE2 LYS 17 2HE LYS 17 -4.587 -7.083 6.401 119 HE3 LYS 17 3HE LYS 17 -4.581 -5.680 7.451 120 HZ1 LYS 17 1HZ LYS 17 -6.300 -4.904 6.258 121 HZ2 LYS 17 2HZ LYS 17 -5.368 -4.791 4.928 122 H21 ACA 18 1HA ACA 18 0.846 -4.914 -0.551 123 H22 ACA 18 2HA ACA 18 -0.017 -4.278 -1.938 124 H31 ACA 18 2HB ACA 18 1.777 -2.483 -2.151 125 H32 ACA 18 3HB ACA 18 2.483 -3.074 -0.661 126 H41 ACA 18 2HG ACA 18 -0.460 -2.379 -0.697 127 H42 ACA 18 3HG ACA 18 0.711 -1.077 -0.636 128 H51 ACA 18 2HD ACA 18 1.797 -2.456 1.332 129 H52 ACA 18 3HD ACA 18 0.262 -3.299 1.384 130 H61 ACA 18 2HE ACA 18 0.986 -0.825 2.459 131 H62 ACA 18 3HE ACA 18 -0.447 -0.106 1.015 132 HN61 ACA 18 HN ACA 18 -1.564 -2.303 2.423 133 H LYS 19 HN LYS 19 0.531 -5.428 -3.931 134 HA LYS 19 HA LYS 19 1.131 -7.700 -2.429 135 HB2 LYS 19 2HB LYS 19 0.426 -7.321 -5.350 136 HB3 LYS 19 3HB LYS 19 0.588 -8.894 -4.595 137 HG2 LYS 19 2HG LYS 19 -1.069 -7.254 -2.886 138 HG3 LYS 19 3HG LYS 19 -1.672 -7.104 -4.524 139 HD2 LYS 19 2HD LYS 19 -1.088 -9.779 -3.169 140 HD3 LYS 19 3HD LYS 19 -2.673 -9.033 -3.208 141 HE2 LYS 19 2HE LYS 19 -2.344 -8.950 -5.812 142 HE3 LYS 19 3HE LYS 19 -1.045 -10.096 -5.545 143 HZ1 LYS 19 1HZ LYS 19 -3.196 -11.053 -4.086 144 HZ2 LYS 19 2HZ LYS 19 -3.842 -10.583 -5.505 145 H ASN 20 HN ASN 20 2.311 -7.970 -5.708 146 HA ASN 20 HA ASN 20 4.770 -8.928 -4.744 147 HB2 ASN 20 2HB ASN 20 4.238 -8.121 -7.634 148 HB3 ASN 20 3HB ASN 20 5.251 -9.427 -7.050 149 HD21 ASN 20 1HD2 ASN 20 2.475 -8.790 -8.564 150 HD22 ASN 20 2HD2 ASN 20 1.496 -10.150 -8.126 151 H GLU 21 HN GLU 21 6.942 -8.024 -5.657 152 HA GLU 21 HA GLU 21 7.134 -5.332 -4.957 153 HB2 GLU 21 2HB GLU 21 9.499 -5.560 -5.540 154 HB3 GLU 21 3HB GLU 21 8.968 -6.997 -4.689 155 HG2 GLU 21 2HG GLU 21 8.470 -7.434 -7.491 156 HG3 GLU 21 3HG GLU 21 10.096 -6.794 -7.346 157 HE2 GLU 21 2HE GLU 21 9.989 -10.474 -6.817 158 H GLN 22 HN GLN 22 6.413 -6.985 -7.963 159 HA GLN 22 HA GLN 22 7.387 -5.398 -9.872 160 HB2 GLN 22 2HB GLN 22 5.423 -7.365 -9.706 161 HB3 GLN 22 3HB GLN 22 4.519 -5.986 -10.299 162 HG2 GLN 22 2HG GLN 22 6.897 -7.372 -11.570 163 HG3 GLN 22 3HG GLN 22 5.331 -7.026 -12.276 164 HE21 GLN 22 1HE2 GLN 22 4.820 -4.498 -11.949 165 HE22 GLN 22 2HE2 GLN 22 6.021 -3.448 -12.625 166 H GLU 23 HN GLU 23 4.549 -4.717 -7.758 167 HA GLU 23 HA GLU 23 3.753 -2.421 -9.099 168 HB2 GLU 23 2HB GLU 23 2.627 -3.888 -7.180 169 HB3 GLU 23 3HB GLU 23 3.380 -2.717 -6.118 170 HG2 GLU 23 2HG GLU 23 1.221 -1.810 -6.562 171 HG3 GLU 23 3HG GLU 23 2.301 -0.885 -7.588 172 HE2 GLU 23 2HE GLU 23 -0.192 -3.546 -9.282 173 H LEU 24 HN LEU 24 6.084 -3.001 -6.417 174 HA LEU 24 HA LEU 24 6.519 -0.361 -5.705 175 HB2 LEU 24 2HB LEU 24 7.862 -2.955 -5.383 176 HB3 LEU 24 3HB LEU 24 8.944 -1.577 -5.326 177 HG LEU 24 HG LEU 24 8.269 -2.148 -3.093 178 HD11 LEU 24 1HD1 LEU 24 8.375 0.320 -3.940 179 HD12 LEU 24 2HD1 LEU 24 6.622 0.303 -3.630 180 HD13 LEU 24 3HD1 LEU 24 7.764 -0.040 -2.308 181 HD21 LEU 24 1HD2 LEU 24 5.450 -1.986 -4.165 182 HD22 LEU 24 2HD2 LEU 24 6.263 -3.356 -3.372 183 HD23 LEU 24 3HD2 LEU 24 5.828 -1.912 -2.428 184 H LEU 25 HN LEU 25 7.809 -2.332 -8.406 185 HA LEU 25 HA LEU 25 9.684 -0.319 -9.174 186 HB2 LEU 25 2HB LEU 25 8.670 -2.801 -10.564 187 HB3 LEU 25 3HB LEU 25 9.944 -1.768 -11.182 188 HG LEU 25 HG LEU 25 11.355 -3.140 -10.137 189 HD11 LEU 25 1HD1 LEU 25 11.516 -1.217 -8.658 190 HD12 LEU 25 2HD1 LEU 25 10.222 -1.875 -7.627 191 HD13 LEU 25 3HD1 LEU 25 11.780 -2.726 -7.752 192 HD21 LEU 25 1HD2 LEU 25 10.262 -5.059 -9.741 193 HD22 LEU 25 2HD2 LEU 25 10.296 -4.526 -8.043 194 HD23 LEU 25 3HD2 LEU 25 8.849 -4.234 -9.038 195 H GLU 26 HN GLU 26 6.279 -1.036 -9.741 196 HA GLU 26 HA GLU 26 6.005 0.288 -12.156 197 HB2 GLU 26 2HB GLU 26 4.336 -1.252 -10.950 198 HB3 GLU 26 3HB GLU 26 3.892 0.132 -9.970 199 HG2 GLU 26 2HG GLU 26 3.941 0.737 -12.870 200 HG3 GLU 26 3HG GLU 26 2.793 -0.519 -12.452 201 HE2 GLU 26 2HE GLU 26 2.665 2.692 -12.849 202 H LEU 27 HN LEU 27 5.972 1.429 -8.751 203 HA LEU 27 HA LEU 27 5.201 4.084 -9.499 204 HB2 LEU 27 2HB LEU 27 6.172 2.856 -6.918 205 HB3 LEU 27 3HB LEU 27 5.737 4.545 -7.086 206 HG LEU 27 HG LEU 27 4.053 2.544 -6.294 207 HD11 LEU 27 1HD1 LEU 27 3.280 5.144 -7.650 208 HD12 LEU 27 2HD1 LEU 27 2.250 4.178 -6.565 209 HD13 LEU 27 3HD1 LEU 27 3.733 4.939 -5.939 210 HD21 LEU 27 1HD2 LEU 27 3.937 1.470 -8.440 211 HD22 LEU 27 2HD2 LEU 27 2.380 2.271 -8.118 212 HD23 LEU 27 3HD2 LEU 27 3.544 3.008 -9.245 213 H ASP 28 HN ASP 28 8.178 2.219 -9.161 214 HA ASP 28 HA ASP 28 9.916 4.317 -8.734 215 HB2 ASP 28 2HB ASP 28 10.599 1.971 -8.520 216 HB3 ASP 28 3HB ASP 28 10.258 1.671 -10.213 217 HD2 ASP 28 2HD ASP 28 13.357 4.119 -10.027 218 H LYS 29 HN LYS 29 8.015 3.340 -11.505 219 HA LYS 29 HA LYS 29 9.740 4.500 -13.478 220 HB2 LYS 29 2HB LYS 29 7.160 3.036 -13.415 221 HB3 LYS 29 3HB LYS 29 7.351 4.179 -14.729 222 HG2 LYS 29 2HG LYS 29 8.224 2.055 -15.499 223 HG3 LYS 29 3HG LYS 29 9.595 3.120 -15.260 224 HD2 LYS 29 2HD LYS 29 10.464 1.415 -14.013 225 HD3 LYS 29 3HD LYS 29 9.383 1.976 -12.754 226 HE2 LYS 29 2HE LYS 29 9.077 -0.441 -13.070 227 HE3 LYS 29 3HE LYS 29 7.617 0.396 -13.558 228 HZ1 LYS 29 1HZ LYS 29 7.878 -0.367 -15.645 229 HZ2 LYS 29 2HZ LYS 29 9.424 0.136 -15.751 230 H TRP 30 HN TRP 30 7.999 5.832 -10.996 231 HA TRP 30 HA TRP 30 6.358 7.739 -11.922 232 HB2 TRP 30 2HB TRP 30 8.326 7.630 -9.692 233 HB3 TRP 30 3HB TRP 30 7.637 9.194 -10.082 234 HD1 TRP 30 1HD TRP 30 6.982 6.732 -7.641 235 HE1 TRP 30 1HE TRP 30 4.469 6.480 -6.878 236 HE3 TRP 30 3HE TRP 30 4.976 9.142 -11.644 237 HZ2 TRP 30 2HZ TRP 30 1.979 7.298 -8.008 238 HZ3 TRP 30 3HZ TRP 30 2.495 9.372 -11.737 239 HH2 TRP 30 2HH TRP 30 1.010 8.497 -10.004 240 H ALA 31 HN ALA 31 9.975 8.091 -11.634 241 HA ALA 31 HA ALA 31 10.099 10.534 -12.961 242 HB1 ALA 31 1HB ALA 31 12.351 10.305 -12.634 243 HB2 ALA 31 2HB ALA 31 11.828 8.974 -11.574 244 HB3 ALA 31 3HB ALA 31 12.376 8.628 -13.232 245 H SER 32 HN SER 32 10.094 7.141 -14.132 246 HA SER 32 HA SER 32 10.968 7.446 -16.643 247 HB2 SER 32 2HB SER 32 10.056 5.371 -17.015 248 HB3 SER 32 3HB SER 32 9.812 5.423 -15.280 249 HG SER 32 HG SER 32 7.907 5.830 -17.387 250 H LEU 33 HN LEU 33 8.050 8.786 -15.209 251 HA LEU 33 HA LEU 33 6.655 9.191 -17.652 252 HB2 LEU 33 2HB LEU 33 5.669 8.999 -15.347 253 HB3 LEU 33 3HB LEU 33 6.290 10.602 -15.010 254 HG LEU 33 HG LEU 33 4.831 11.634 -16.545 255 HD11 LEU 33 1HD1 LEU 33 5.037 10.329 -18.496 256 HD12 LEU 33 2HD1 LEU 33 4.393 8.875 -17.695 257 HD13 LEU 33 3HD1 LEU 33 3.316 10.248 -18.047 258 HD21 LEU 33 1HD2 LEU 33 3.800 9.860 -14.544 259 HD22 LEU 33 2HD2 LEU 33 3.174 11.436 -15.086 260 HD23 LEU 33 3HD2 LEU 33 2.652 9.941 -15.902 261 H TRP 34 HN TRP 34 8.343 11.483 -15.384 262 HA TRP 34 HA TRP 34 8.796 13.195 -17.732 263 HB2 TRP 34 2HB TRP 34 8.811 15.081 -16.252 264 HB3 TRP 34 3HB TRP 34 7.316 14.186 -16.059 265 HD1 TRP 34 1HD TRP 34 6.896 13.024 -13.648 266 HE1 TRP 34 1HE TRP 34 7.977 13.243 -11.250 267 HE3 TRP 34 3HE TRP 34 11.082 15.470 -15.183 268 HZ2 TRP 34 2HZ TRP 34 10.407 14.389 -10.287 269 HZ3 TRP 34 3HZ TRP 34 12.758 16.103 -13.451 270 HH2 TRP 34 2HH TRP 34 12.474 15.602 -11.076 271 H ASN 35 HN ASN 35 10.153 12.282 -14.477 272 HA ASN 35 HA ASN 35 12.205 12.173 -13.753 273 HB2 ASN 35 2HB ASN 35 12.469 10.079 -14.795 274 HB3 ASN 35 3HB ASN 35 12.267 10.735 -16.406 275 HD21 ASN 35 1HD2 ASN 35 14.443 10.423 -13.667 276 HD22 ASN 35 2HD2 ASN 35 15.933 10.672 -14.514 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -25.006 -7.698 -9.710 2 HA2 GLY 1 1HA GLY 1 -26.023 -5.851 -8.247 3 HA3 GLY 1 2HA GLY 1 -25.592 -7.367 -7.482 4 H ILE 2 HN ILE 2 -23.252 -4.943 -8.745 5 HA ILE 2 HA ILE 2 -21.626 -4.995 -6.542 6 HB ILE 2 HB ILE 2 -20.888 -2.709 -7.404 7 HG12 ILE 2 2HG1 ILE 2 -22.495 -3.281 -9.860 8 HG13 ILE 2 3HG1 ILE 2 -23.298 -2.487 -8.519 9 HG21 ILE 2 1HG2 ILE 2 -20.763 -4.546 -9.708 10 HG22 ILE 2 2HG2 ILE 2 -19.461 -3.793 -8.758 11 HG23 ILE 2 3HG2 ILE 2 -20.279 -5.252 -8.149 12 HD11 ILE 2 1HD1 ILE 2 -21.531 -0.734 -8.478 13 HD12 ILE 2 2HD1 ILE 2 -20.706 -1.544 -9.833 14 HD13 ILE 2 3HD1 ILE 2 -22.317 -0.825 -10.073 15 H GLY 3 HN GLY 3 -21.155 -2.758 -5.253 16 HA2 GLY 3 1HA GLY 3 -23.714 -1.707 -4.249 17 HA3 GLY 3 2HA GLY 3 -22.591 -2.460 -3.134 18 H ALA 4 HN ALA 4 -23.606 0.489 -4.159 19 HA ALA 4 HA ALA 4 -21.248 1.867 -4.761 20 HB1 ALA 4 1HB ALA 4 -23.432 2.793 -5.245 21 HB2 ALA 4 2HB ALA 4 -23.890 2.737 -3.526 22 HB3 ALA 4 3HB ALA 4 -22.626 3.864 -4.073 23 H PHE 5 HN PHE 5 -22.555 0.551 -1.775 24 HA PHE 5 HA PHE 5 -21.002 2.284 -0.096 25 HB2 PHE 5 2HB PHE 5 -22.357 -0.411 0.492 26 HB3 PHE 5 3HB PHE 5 -21.995 0.841 1.663 27 HD1 PHE 5 1HD PHE 5 -22.970 3.035 -0.478 28 HD2 PHE 5 2HD PHE 5 -24.684 -0.413 1.305 29 HE1 PHE 5 1HE PHE 5 -25.261 4.004 -0.808 30 HE2 PHE 5 2HE PHE 5 -26.976 0.556 0.974 31 HZ PHE 5 HZ PHE 5 -27.237 2.753 -0.079 32 H GLY 6 HN GLY 6 -20.228 -0.287 -2.135 33 HA2 GLY 6 1HA GLY 6 -18.218 -1.439 -0.334 34 HA3 GLY 6 2HA GLY 6 -18.737 -2.070 -1.885 35 H LEU 7 HN LEU 7 -18.600 0.378 -3.435 36 HA LEU 7 HA LEU 7 -15.785 0.381 -3.922 37 HB2 LEU 7 2HB LEU 7 -17.384 0.373 -5.737 38 HB3 LEU 7 3HB LEU 7 -18.086 1.879 -5.180 39 HG LEU 7 HG LEU 7 -15.236 2.194 -5.624 40 HD11 LEU 7 1HD1 LEU 7 -15.012 1.735 -7.912 41 HD12 LEU 7 2HD1 LEU 7 -15.789 0.285 -7.234 42 HD13 LEU 7 3HD1 LEU 7 -16.760 1.479 -8.128 43 HD21 LEU 7 1HD2 LEU 7 -17.075 3.592 -7.424 44 HD22 LEU 7 2HD2 LEU 7 -17.513 3.741 -5.706 45 HD23 LEU 7 3HD2 LEU 7 -15.893 4.232 -6.257 46 H LEU 8 HN LEU 8 -17.659 1.863 -1.592 47 HA LEU 8 HA LEU 8 -17.048 4.502 -1.589 48 HB2 LEU 8 2HB LEU 8 -18.090 2.641 0.185 49 HB3 LEU 8 3HB LEU 8 -16.705 3.292 1.038 50 HG LEU 8 HG LEU 8 -17.632 5.611 0.537 51 HD11 LEU 8 1HD1 LEU 8 -19.185 4.666 -1.283 52 HD12 LEU 8 2HD1 LEU 8 -20.258 4.213 0.062 53 HD13 LEU 8 3HD1 LEU 8 -19.826 5.920 -0.195 54 HD21 LEU 8 1HD2 LEU 8 -18.305 5.540 2.649 55 HD22 LEU 8 2HD2 LEU 8 -19.733 4.571 2.214 56 HD23 LEU 8 3HD2 LEU 8 -18.190 3.765 2.586 57 H GLY 9 HN GLY 9 -14.885 1.738 -1.025 58 HA2 GLY 9 1HA GLY 9 -12.573 3.275 -1.524 59 HA3 GLY 9 2HA GLY 9 -12.755 3.058 0.205 60 H PHE 10 HN PHE 10 -13.708 0.813 -2.472 61 HA PHE 10 HA PHE 10 -12.853 -1.465 -1.210 62 HB2 PHE 10 2HB PHE 10 -14.292 -1.131 -3.324 63 HB3 PHE 10 3HB PHE 10 -12.822 -0.776 -4.210 64 HD1 PHE 10 1HD PHE 10 -15.063 -3.318 -3.222 65 HD2 PHE 10 2HD PHE 10 -10.983 -2.627 -4.161 66 HE1 PHE 10 1HE PHE 10 -14.758 -5.764 -3.698 67 HE2 PHE 10 2HE PHE 10 -10.678 -5.072 -4.636 68 HZ PHE 10 HZ PHE 10 -12.569 -6.612 -4.399 69 H LEU 11 HN LEU 11 -11.077 0.580 -3.626 70 HA LEU 11 HA LEU 11 -8.763 -1.059 -3.517 71 HB2 LEU 11 2HB LEU 11 -9.283 1.708 -4.603 72 HB3 LEU 11 3HB LEU 11 -7.743 0.883 -4.748 73 HG LEU 11 HG LEU 11 -9.021 0.687 -6.799 74 HD11 LEU 11 1HD1 LEU 11 -9.022 -2.025 -5.461 75 HD12 LEU 11 2HD1 LEU 11 -8.783 -1.643 -7.184 76 HD13 LEU 11 3HD1 LEU 11 -7.542 -1.191 -5.990 77 HD21 LEU 11 1HD2 LEU 11 -11.168 -0.218 -6.999 78 HD22 LEU 11 2HD2 LEU 11 -11.126 -0.926 -5.367 79 HD23 LEU 11 3HD2 LEU 11 -11.269 0.836 -5.568 80 H ALA 12 HN ALA 12 -9.858 1.963 -1.903 81 HA ALA 12 HA ALA 12 -7.521 2.744 -0.729 82 HB1 ALA 12 1HB ALA 12 -10.365 3.168 -0.405 83 HB2 ALA 12 2HB ALA 12 -9.583 3.081 1.191 84 HB3 ALA 12 3HB ALA 12 -9.015 4.261 -0.014 85 H ALA 13 HN ALA 13 -9.523 -0.097 -0.077 86 HA ALA 13 HA ALA 13 -8.755 -0.663 2.514 87 HB1 ALA 13 1HB ALA 13 -9.526 -2.874 2.043 88 HB2 ALA 13 2HB ALA 13 -10.505 -1.788 1.027 89 HB3 ALA 13 3HB ALA 13 -9.163 -2.709 0.307 90 H GLY 14 HN GLY 14 -7.119 -1.356 -0.628 91 HA2 GLY 14 1HA GLY 14 -4.977 -2.823 0.558 92 HA3 GLY 14 2HA GLY 14 -5.073 -2.202 -1.078 93 H SER 15 HN SER 15 -5.504 0.597 -0.494 94 HA SER 15 HA SER 15 -2.804 1.257 0.126 95 HB2 SER 15 2HB SER 15 -4.496 2.313 -1.638 96 HB3 SER 15 3HB SER 15 -4.976 3.317 -0.284 97 HG SER 15 HG SER 15 -3.073 4.364 -0.313 98 H LYS 16 HN LYS 16 -5.278 0.405 2.080 99 HA LYS 16 HA LYS 16 -5.667 2.491 3.848 100 HB2 LYS 16 2HB LYS 16 -6.557 0.872 5.316 101 HB3 LYS 16 3HB LYS 16 -6.901 0.289 3.701 102 HG2 LYS 16 2HG LYS 16 -6.035 -1.659 4.623 103 HG3 LYS 16 3HG LYS 16 -4.554 -0.964 3.994 104 HD2 LYS 16 2HD LYS 16 -3.735 -1.140 6.110 105 HD3 LYS 16 3HD LYS 16 -4.741 0.241 6.500 106 HE2 LYS 16 2HE LYS 16 -6.595 -1.247 7.182 107 HE3 LYS 16 3HE LYS 16 -5.690 -2.659 6.676 108 HZ1 LYS 16 1HZ LYS 16 -5.620 -1.647 9.170 109 HZ2 LYS 16 2HZ LYS 16 -4.441 -2.587 8.554 110 H LYS 17 HN LYS 17 -2.816 0.604 3.175 111 HA LYS 17 HA LYS 17 -1.580 1.724 5.595 112 HB2 LYS 17 2HB LYS 17 -1.759 -0.980 4.767 113 HB3 LYS 17 3HB LYS 17 -0.097 -0.495 4.501 114 HG2 LYS 17 2HG LYS 17 -0.055 0.452 6.860 115 HG3 LYS 17 3HG LYS 17 -1.664 -0.200 7.106 116 HD2 LYS 17 2HD LYS 17 0.698 -1.928 6.243 117 HD3 LYS 17 3HD LYS 17 0.284 -1.665 7.925 118 HE2 LYS 17 2HE LYS 17 -2.169 -2.400 7.026 119 HE3 LYS 17 3HE LYS 17 -1.198 -3.228 5.825 120 HZ1 LYS 17 1HZ LYS 17 0.088 -4.172 7.776 121 HZ2 LYS 17 2HZ LYS 17 -1.066 -3.589 8.764 122 H21 ACA 18 1HA ACA 18 6.009 1.637 0.145 123 H22 ACA 18 2HA ACA 18 4.823 2.868 0.533 124 H31 ACA 18 2HB ACA 18 3.937 0.191 1.392 125 H32 ACA 18 3HB ACA 18 4.283 0.238 -0.325 126 H41 ACA 18 2HG ACA 18 2.477 1.568 -0.778 127 H42 ACA 18 3HG ACA 18 2.789 2.619 0.589 128 H51 ACA 18 2HD ACA 18 1.978 0.333 1.896 129 H52 ACA 18 3HD ACA 18 1.050 0.197 0.415 130 H61 ACA 18 2HE ACA 18 1.223 2.671 2.081 131 H62 ACA 18 3HE ACA 18 -0.211 2.629 0.470 132 HN61 ACA 18 HN ACA 18 -0.767 0.504 2.265 133 H LYS 19 HN LYS 19 7.420 0.940 1.937 134 HA LYS 19 HA LYS 19 5.402 -0.001 3.855 135 HB2 LYS 19 2HB LYS 19 5.518 -1.531 1.977 136 HB3 LYS 19 3HB LYS 19 7.263 -1.623 2.096 137 HG2 LYS 19 2HG LYS 19 7.034 -3.347 3.548 138 HG3 LYS 19 3HG LYS 19 6.320 -2.240 4.703 139 HD2 LYS 19 2HD LYS 19 4.782 -3.747 2.533 140 HD3 LYS 19 3HD LYS 19 4.837 -4.200 4.225 141 HE2 LYS 19 2HE LYS 19 4.008 -1.683 4.606 142 HE3 LYS 19 3HE LYS 19 3.474 -1.824 2.943 143 HZ1 LYS 19 1HZ LYS 19 2.381 -3.083 5.283 144 HZ2 LYS 19 2HZ LYS 19 1.676 -2.825 3.838 145 H ASN 20 HN ASN 20 8.601 -1.455 3.527 146 HA ASN 20 HA ASN 20 9.366 -0.029 5.953 147 HB2 ASN 20 2HB ASN 20 9.407 -2.960 5.264 148 HB3 ASN 20 3HB ASN 20 10.784 -2.360 6.165 149 HD21 ASN 20 1HD2 ASN 20 7.477 -3.218 6.218 150 HD22 ASN 20 2HD2 ASN 20 7.130 -2.899 7.883 151 H GLU 21 HN GLU 21 11.021 -2.499 3.868 152 HA GLU 21 HA GLU 21 13.315 -0.833 3.713 153 HB2 GLU 21 2HB GLU 21 14.339 -2.714 2.538 154 HB3 GLU 21 3HB GLU 21 13.445 -3.319 3.918 155 HG2 GLU 21 2HG GLU 21 11.452 -3.590 2.207 156 HG3 GLU 21 3HG GLU 21 12.698 -3.463 0.980 157 HE2 GLU 21 2HE GLU 21 11.582 -6.410 1.554 158 H GLN 22 HN GLN 22 10.588 -1.772 1.597 159 HA GLN 22 HA GLN 22 11.424 -1.190 -0.840 160 HB2 GLN 22 2HB GLN 22 8.832 -0.651 0.589 161 HB3 GLN 22 3HB GLN 22 9.022 0.011 -1.022 162 HG2 GLN 22 2HG GLN 22 8.299 -2.047 -1.717 163 HG3 GLN 22 3HG GLN 22 9.958 -2.538 -1.440 164 HE21 GLN 22 1HE2 GLN 22 7.374 -3.973 -1.242 165 HE22 GLN 22 2HE2 GLN 22 7.319 -4.678 0.340 166 H GLU 23 HN GLU 23 10.209 1.326 1.494 167 HA GLU 23 HA GLU 23 10.670 3.481 -0.122 168 HB2 GLU 23 2HB GLU 23 9.391 3.544 2.004 169 HB3 GLU 23 3HB GLU 23 10.866 3.310 2.918 170 HG2 GLU 23 2HG GLU 23 11.624 5.476 2.539 171 HG3 GLU 23 3HG GLU 23 10.863 5.589 0.964 172 HE2 GLU 23 2HE GLU 23 10.582 6.860 3.922 173 H LEU 24 HN LEU 24 12.899 1.697 2.063 174 HA LEU 24 HA LEU 24 15.005 3.511 1.997 175 HB2 LEU 24 2HB LEU 24 14.551 1.368 3.407 176 HB3 LEU 24 3HB LEU 24 15.403 0.542 2.118 177 HG LEU 24 HG LEU 24 17.040 0.944 3.730 178 HD11 LEU 24 1HD1 LEU 24 17.417 3.366 1.968 179 HD12 LEU 24 2HD1 LEU 24 18.649 2.287 2.665 180 HD13 LEU 24 3HD1 LEU 24 17.592 1.702 1.359 181 HD21 LEU 24 1HD2 LEU 24 17.121 2.633 5.229 182 HD22 LEU 24 2HD2 LEU 24 16.645 3.867 4.039 183 HD23 LEU 24 3HD2 LEU 24 15.411 2.814 4.772 184 H LEU 25 HN LEU 25 13.926 0.998 -0.308 185 HA LEU 25 HA LEU 25 16.251 1.551 -1.973 186 HB2 LEU 25 2HB LEU 25 14.039 -0.444 -2.443 187 HB3 LEU 25 3HB LEU 25 15.601 -0.368 -3.234 188 HG LEU 25 HG LEU 25 16.125 -2.005 -1.786 189 HD11 LEU 25 1HD1 LEU 25 16.294 0.094 0.368 190 HD12 LEU 25 2HD1 LEU 25 17.383 -1.274 0.037 191 HD13 LEU 25 3HD1 LEU 25 17.362 0.131 -1.055 192 HD21 LEU 25 1HD2 LEU 25 14.491 -2.839 -0.544 193 HD22 LEU 25 2HD2 LEU 25 14.768 -1.566 0.669 194 HD23 LEU 25 3HD2 LEU 25 13.597 -1.304 -0.647 195 H GLU 26 HN GLU 26 13.942 3.479 -1.360 196 HA GLU 26 HA GLU 26 12.471 3.618 -3.761 197 HB2 GLU 26 2HB GLU 26 11.586 4.502 -1.639 198 HB3 GLU 26 3HB GLU 26 12.902 5.653 -1.531 199 HG2 GLU 26 2HG GLU 26 12.090 6.960 -3.336 200 HG3 GLU 26 3HG GLU 26 11.141 5.643 -3.997 201 HE2 GLU 26 2HE GLU 26 9.203 5.370 -1.323 202 H LEU 27 HN LEU 27 15.420 5.209 -2.453 203 HA LEU 27 HA LEU 27 15.635 6.912 -4.765 204 HB2 LEU 27 2HB LEU 27 17.408 6.443 -2.368 205 HB3 LEU 27 3HB LEU 27 17.790 7.566 -3.658 206 HG LEU 27 HG LEU 27 16.459 8.185 -1.349 207 HD11 LEU 27 1HD1 LEU 27 17.593 9.757 -2.828 208 HD12 LEU 27 2HD1 LEU 27 16.274 9.617 -4.015 209 HD13 LEU 27 3HD1 LEU 27 15.961 10.336 -2.417 210 HD21 LEU 27 1HD2 LEU 27 14.370 7.783 -3.504 211 HD22 LEU 27 2HD2 LEU 27 14.446 7.007 -1.903 212 HD23 LEU 27 3HD2 LEU 27 14.128 8.754 -2.031 213 H ASP 28 HN ASP 28 16.713 3.733 -3.684 214 HA ASP 28 HA ASP 28 18.966 3.506 -5.252 215 HB2 ASP 28 2HB ASP 28 17.779 1.921 -3.435 216 HB3 ASP 28 3HB ASP 28 17.110 1.154 -4.862 217 HD2 ASP 28 2HD ASP 28 18.939 -0.837 -4.030 218 H LYS 29 HN LYS 29 15.562 3.655 -6.029 219 HA LYS 29 HA LYS 29 15.740 2.162 -8.471 220 HB2 LYS 29 2HB LYS 29 13.645 3.547 -6.901 221 HB3 LYS 29 3HB LYS 29 13.402 3.552 -8.636 222 HG2 LYS 29 2HG LYS 29 12.438 1.538 -7.341 223 HG3 LYS 29 3HG LYS 29 13.384 1.170 -8.770 224 HD2 LYS 29 2HD LYS 29 15.149 0.276 -7.554 225 HD3 LYS 29 3HD LYS 29 14.919 1.370 -6.203 226 HE2 LYS 29 2HE LYS 29 14.331 -0.991 -5.615 227 HE3 LYS 29 3HE LYS 29 12.969 0.095 -5.421 228 HZ1 LYS 29 1HZ LYS 29 11.841 -1.033 -6.992 229 HZ2 LYS 29 2HZ LYS 29 13.062 -0.975 -8.068 230 H TRP 30 HN TRP 30 17.134 4.999 -7.546 231 HA TRP 30 HA TRP 30 16.466 6.947 -9.298 232 HB2 TRP 30 2HB TRP 30 19.018 6.089 -8.025 233 HB3 TRP 30 3HB TRP 30 19.110 7.276 -9.311 234 HD1 TRP 30 1HD TRP 30 19.181 7.444 -5.797 235 HE1 TRP 30 1HE TRP 30 18.091 9.581 -4.697 236 HE3 TRP 30 3HE TRP 30 16.474 8.808 -9.879 237 HZ2 TRP 30 2HZ TRP 30 16.260 11.558 -5.638 238 HZ3 TRP 30 3HZ TRP 30 15.061 10.855 -9.705 239 HH2 TRP 30 2HH TRP 30 14.928 12.212 -7.676 240 H ALA 31 HN ALA 31 18.740 4.169 -9.875 241 HA ALA 31 HA ALA 31 19.170 4.827 -12.583 242 HB1 ALA 31 1HB ALA 31 19.472 1.995 -11.875 243 HB2 ALA 31 2HB ALA 31 20.697 3.175 -12.400 244 HB3 ALA 31 3HB ALA 31 20.229 3.081 -10.685 245 H SER 32 HN SER 32 16.655 3.060 -10.814 246 HA SER 32 HA SER 32 15.653 1.401 -12.641 247 HB2 SER 32 2HB SER 32 14.796 2.160 -10.259 248 HB3 SER 32 3HB SER 32 13.764 3.250 -11.163 249 HG SER 32 HG SER 32 12.968 1.352 -12.359 250 H LEU 33 HN LEU 33 15.678 4.942 -12.744 251 HA LEU 33 HA LEU 33 13.825 4.963 -14.987 252 HB2 LEU 33 2HB LEU 33 14.825 6.907 -13.010 253 HB3 LEU 33 3HB LEU 33 14.618 7.540 -14.631 254 HG LEU 33 HG LEU 33 12.520 6.321 -12.830 255 HD11 LEU 33 1HD1 LEU 33 12.675 9.033 -14.173 256 HD12 LEU 33 2HD1 LEU 33 11.425 8.470 -13.038 257 HD13 LEU 33 3HD1 LEU 33 13.099 8.696 -12.478 258 HD21 LEU 33 1HD2 LEU 33 11.067 7.064 -14.967 259 HD22 LEU 33 2HD2 LEU 33 12.556 6.540 -15.790 260 HD23 LEU 33 3HD2 LEU 33 11.684 5.412 -14.723 261 H TRP 34 HN TRP 34 17.273 5.326 -14.159 262 HA TRP 34 HA TRP 34 18.329 6.566 -16.285 263 HB2 TRP 34 2HB TRP 34 19.977 5.929 -14.909 264 HB3 TRP 34 3HB TRP 34 19.199 4.419 -14.478 265 HD1 TRP 34 1HD TRP 34 19.189 2.796 -17.133 266 HE1 TRP 34 1HE TRP 34 21.362 2.008 -18.408 267 HE3 TRP 34 3HE TRP 34 22.284 6.280 -15.097 268 HZ2 TRP 34 2HZ TRP 34 24.068 2.910 -18.421 269 HZ3 TRP 34 3HZ TRP 34 24.676 6.257 -15.795 270 HH2 TRP 34 2HH TRP 34 25.581 4.649 -17.396 271 H ASN 35 HN ASN 35 16.727 3.382 -16.176 272 HA ASN 35 HA ASN 35 17.554 2.778 -18.849 273 HB2 ASN 35 2HB ASN 35 15.743 1.410 -16.806 274 HB3 ASN 35 3HB ASN 35 15.866 0.811 -18.449 275 HD21 ASN 35 1HD2 ASN 35 17.079 0.615 -15.379 276 HD22 ASN 35 2HD2 ASN 35 18.611 -0.137 -15.677
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