NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
567158 | 2me1 | 19512 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 657 HT1 GLU 657 12.283 11.756 -4.143 2 H2 GLU 657 HT2 GLU 657 13.286 12.689 -3.138 3 H3 GLU 657 HT3 GLU 657 12.069 11.716 -2.461 4 HA GLU 657 HA GLU 657 14.138 10.585 -2.133 5 HB2 GLU 657 HB2 GLU 657 12.202 9.631 -4.234 6 HB3 GLU 657 HB1 GLU 657 13.561 8.610 -3.763 7 HG2 GLU 657 HG2 GLU 657 11.971 9.823 -1.556 8 HG3 GLU 657 HG1 GLU 657 11.196 8.535 -2.479 9 H GLN 658 HN GLN 658 15.807 9.211 -3.499 10 HA GLN 658 HA GLN 658 16.609 10.533 -6.030 11 HB2 GLN 658 HB2 GLN 658 18.837 11.076 -5.082 12 HB3 GLN 658 HB1 GLN 658 17.551 11.906 -4.208 13 HG2 GLN 658 HG2 GLN 658 17.636 9.688 -2.721 14 HG3 GLN 658 HG1 GLN 658 19.294 9.648 -3.323 15 HE21 GLN 658 HE21 GLN 658 17.019 12.152 -2.035 16 HE22 GLN 658 HE22 GLN 658 18.182 12.905 -1.054 17 H GLU 659 HN GLU 659 17.185 8.874 -7.370 18 HA GLU 659 HA GLU 659 18.037 6.279 -6.193 19 HB2 GLU 659 HB2 GLU 659 16.230 6.928 -8.097 20 HB3 GLU 659 HB1 GLU 659 17.649 6.695 -9.118 21 HG2 GLU 659 HG2 GLU 659 17.881 4.518 -7.535 22 HG3 GLU 659 HG1 GLU 659 16.128 4.711 -7.511 23 H LEU 660 HN LEU 660 19.376 5.574 -8.768 24 HA LEU 660 HA LEU 660 22.022 6.744 -8.146 25 HB2 LEU 660 HB2 LEU 660 20.908 4.360 -9.565 26 HB3 LEU 660 HB1 LEU 660 22.521 4.909 -10.023 27 HG LEU 660 HG LEU 660 21.936 4.699 -7.108 28 HD11 LEU 660 HD11 LEU 660 20.971 2.616 -7.845 29 HD12 LEU 660 HD12 LEU 660 22.579 2.253 -7.218 30 HD13 LEU 660 HD13 LEU 660 22.308 2.329 -8.959 31 HD21 LEU 660 HD21 LEU 660 24.338 3.707 -8.639 32 HD22 LEU 660 HD22 LEU 660 24.254 4.286 -6.976 33 HD23 LEU 660 HD23 LEU 660 24.125 5.427 -8.314 34 H LEU 661 HN LEU 661 19.660 7.988 -9.824 35 HA LEU 661 HA LEU 661 21.047 8.447 -12.392 36 HB2 LEU 661 HB2 LEU 661 18.441 9.653 -11.481 37 HB3 LEU 661 HB1 LEU 661 18.945 9.261 -13.121 38 HG LEU 661 HG LEU 661 18.290 7.268 -10.932 39 HD11 LEU 661 HD11 LEU 661 16.312 6.813 -12.132 40 HD12 LEU 661 HD12 LEU 661 16.898 7.632 -13.580 41 HD13 LEU 661 HD13 LEU 661 16.429 8.572 -12.163 42 HD21 LEU 661 HD21 LEU 661 18.628 5.576 -12.707 43 HD22 LEU 661 HD22 LEU 661 20.112 6.478 -12.399 44 HD23 LEU 661 HD23 LEU 661 19.134 6.848 -13.819 45 H GLU 662 HN GLU 662 20.753 9.851 -9.361 46 HA GLU 662 HA GLU 662 21.075 12.652 -10.149 47 HB2 GLU 662 HB2 GLU 662 21.167 11.061 -7.583 48 HB3 GLU 662 HB1 GLU 662 21.532 12.787 -7.605 49 HG2 GLU 662 HG2 GLU 662 19.249 12.825 -9.027 50 HG3 GLU 662 HG1 GLU 662 18.939 11.393 -8.046 51 H LEU 663 HN LEU 663 23.021 13.831 -10.140 52 HA LEU 663 HA LEU 663 25.459 12.563 -10.785 53 HB2 LEU 663 HB2 LEU 663 24.555 15.256 -9.874 54 HB3 LEU 663 HB1 LEU 663 26.290 14.939 -9.885 55 HG LEU 663 HG LEU 663 24.565 14.286 -12.270 56 HD11 LEU 663 HD11 LEU 663 24.346 16.719 -11.602 57 HD12 LEU 663 HD12 LEU 663 25.038 16.452 -13.202 58 HD13 LEU 663 HD13 LEU 663 26.086 16.869 -11.846 59 HD21 LEU 663 HD21 LEU 663 26.692 14.395 -13.448 60 HD22 LEU 663 HD22 LEU 663 26.883 13.342 -12.046 61 HD23 LEU 663 HD23 LEU 663 27.505 14.992 -12.001 62 H ASP 664 HN ASP 664 24.172 13.526 -7.655 63 HA ASP 664 HA ASP 664 26.490 13.285 -6.042 64 HB2 ASP 664 HB2 ASP 664 23.529 12.871 -5.630 65 HB3 ASP 664 HB1 ASP 664 24.662 12.655 -4.296 66 H LYS 665 HN LYS 665 23.993 10.789 -6.705 67 HA LYS 665 HA LYS 665 25.276 8.639 -5.353 68 HB2 LYS 665 HB2 LYS 665 23.207 9.046 -7.451 69 HB3 LYS 665 HB1 LYS 665 23.904 7.428 -7.358 70 HG2 LYS 665 HG2 LYS 665 23.385 8.333 -4.689 71 HG3 LYS 665 HG1 LYS 665 21.931 8.591 -5.652 72 HD2 LYS 665 HD2 LYS 665 21.543 6.365 -5.885 73 HD3 LYS 665 HD1 LYS 665 23.249 6.001 -6.144 74 HE2 LYS 665 HE2 LYS 665 22.415 6.845 -3.393 75 HE3 LYS 665 HE1 LYS 665 22.024 5.196 -3.919 76 HZ1 LYS 665 HZ1 LYS 665 24.276 5.406 -2.931 77 HZ2 LYS 665 HZ2 LYS 665 24.704 6.446 -4.205 78 HZ3 LYS 665 HZ3 LYS 665 24.292 4.829 -4.525 79 H TRP 666 HN TRP 666 25.750 9.967 -8.600 80 HA TRP 666 HA TRP 666 27.566 7.792 -9.429 81 HB2 TRP 666 HB2 TRP 666 26.200 10.168 -10.556 82 HB3 TRP 666 HB1 TRP 666 27.752 9.769 -11.288 83 HD1 TRP 666 HD1 TRP 666 24.174 8.714 -11.194 84 HE1 TRP 666 HE1 TRP 666 23.848 6.593 -12.627 85 HE3 TRP 666 HE3 TRP 666 29.044 7.454 -12.006 86 HZ2 TRP 666 HZ2 TRP 666 25.452 4.620 -13.946 87 HZ3 TRP 666 HZ3 TRP 666 29.625 5.452 -13.352 88 HH2 TRP 666 HH2 TRP 666 27.835 4.035 -14.322 89 H ALA 667 HN ALA 667 27.806 10.856 -7.795 90 HA ALA 667 HA ALA 667 30.418 11.623 -8.675 91 HB1 ALA 667 HB1 ALA 667 30.137 13.297 -7.086 92 HB2 ALA 667 HB2 ALA 667 29.408 12.199 -5.914 93 HB3 ALA 667 HB3 ALA 667 28.463 12.780 -7.285 94 H SER 668 HN SER 668 29.344 9.527 -6.012 95 HA SER 668 HA SER 668 31.904 9.288 -4.738 96 HB2 SER 668 HB2 SER 668 30.836 7.367 -3.639 97 HB3 SER 668 HB1 SER 668 29.672 8.681 -3.780 98 HG SER 668 HG SER 668 28.590 7.580 -5.258 99 H LEU 669 HN LEU 669 30.660 7.945 -7.693 100 HA LEU 669 HA LEU 669 32.435 5.629 -7.788 101 HB2 LEU 669 HB2 LEU 669 30.567 7.147 -9.591 102 HB3 LEU 669 HB1 LEU 669 31.653 5.950 -10.283 103 HG LEU 669 HG LEU 669 30.652 4.660 -8.049 104 HD11 LEU 669 HD11 LEU 669 28.986 6.757 -8.242 105 HD12 LEU 669 HD12 LEU 669 28.444 5.165 -7.713 106 HD13 LEU 669 HD13 LEU 669 28.196 5.671 -9.385 107 HD21 LEU 669 HD21 LEU 669 29.223 4.411 -10.671 108 HD22 LEU 669 HD22 LEU 669 29.824 3.144 -9.602 109 HD23 LEU 669 HD23 LEU 669 30.948 4.050 -10.614 110 H TRP 670 HN TRP 670 32.431 8.918 -9.192 111 HA TRP 670 HA TRP 670 34.829 8.714 -10.722 112 HB2 TRP 670 HB2 TRP 670 32.929 10.568 -10.375 113 HB3 TRP 670 HB1 TRP 670 34.103 11.218 -9.232 114 HD1 TRP 670 HD1 TRP 670 33.330 11.001 -12.866 115 HE1 TRP 670 HE1 TRP 670 35.220 12.089 -14.243 116 HE3 TRP 670 HE3 TRP 670 36.868 11.554 -9.226 117 HZ2 TRP 670 HZ2 TRP 670 37.880 13.065 -13.851 118 HZ3 TRP 670 HZ3 TRP 670 39.068 12.565 -9.754 119 HH2 TRP 670 HH2 TRP 670 39.578 13.320 -12.059 120 H ALA 671 HN ALA 671 34.231 9.352 -7.287 121 HA ALA 671 HA ALA 671 36.974 9.993 -6.605 122 HB1 ALA 671 HB1 ALA 671 34.696 10.436 -5.395 123 HB2 ALA 671 HB2 ALA 671 36.106 10.052 -4.407 124 HB3 ALA 671 HB3 ALA 671 34.906 8.806 -4.754 125 H TRP 672 HN TRP 672 35.095 7.069 -6.976 126 HA TRP 672 HA TRP 672 36.645 5.262 -5.446 127 HB2 TRP 672 HB2 TRP 672 34.466 5.285 -7.327 128 HB3 TRP 672 HB1 TRP 672 35.550 3.953 -7.725 129 HD1 TRP 672 HD1 TRP 672 33.234 5.222 -4.969 130 HE1 TRP 672 HE1 TRP 672 32.881 3.327 -3.255 131 HE3 TRP 672 HE3 TRP 672 36.596 1.870 -6.722 132 HZ2 TRP 672 HZ2 TRP 672 33.918 0.706 -2.705 133 HZ3 TRP 672 HZ3 TRP 672 36.926 -0.323 -5.597 134 HH2 TRP 672 HH2 TRP 672 35.584 -0.910 -3.594 135 H PHE 673 HN PHE 673 36.862 5.908 -8.994 136 HA PHE 673 HA PHE 673 38.897 4.160 -9.680 137 HB2 PHE 673 HB2 PHE 673 37.976 6.849 -10.520 138 HB3 PHE 673 HB1 PHE 673 39.593 6.411 -11.070 139 HD1 PHE 673 HD1 PHE 673 36.018 5.436 -11.123 140 HD2 PHE 673 HD2 PHE 673 39.941 4.667 -12.695 141 HE1 PHE 673 HE1 PHE 673 35.031 3.990 -12.879 142 HE2 PHE 673 HE2 PHE 673 38.953 3.221 -14.452 143 HZ PHE 673 HZ PHE 673 36.499 2.883 -14.544 144 H ALA 674 HN ALA 674 39.354 7.415 -8.289 145 HA ALA 674 HA ALA 674 42.229 7.276 -8.126 146 HB1 ALA 674 HB1 ALA 674 41.975 9.343 -6.951 147 HB2 ALA 674 HB2 ALA 674 40.342 8.922 -6.436 148 HB3 ALA 674 HB3 ALA 674 40.666 9.282 -8.132 149 H ILE 675 HN ILE 675 40.336 5.170 -6.543 150 HA ILE 675 HA ILE 675 41.144 5.462 -3.770 151 HB ILE 675 HB ILE 675 40.115 3.220 -5.472 152 HG12 ILE 675 HG12 ILE 675 38.820 5.465 -4.740 153 HG13 ILE 675 HG11 ILE 675 37.999 3.921 -4.926 154 HG21 ILE 675 HG21 ILE 675 39.416 2.349 -3.072 155 HG22 ILE 675 HG22 ILE 675 40.815 3.296 -2.567 156 HG23 ILE 675 HG23 ILE 675 41.009 1.983 -3.728 157 HD11 ILE 675 HD11 ILE 675 38.021 3.511 -2.578 158 HD12 ILE 675 HD12 ILE 675 37.534 5.197 -2.755 159 HD13 ILE 675 HD13 ILE 675 39.189 4.801 -2.290 160 H THR 676 HN THR 676 43.485 5.853 -4.834 161 HA THR 676 HA THR 676 44.988 3.362 -5.321 162 HB THR 676 HB THR 676 46.808 5.414 -5.153 163 HG1 THR 676 HG1 THR 676 45.598 7.133 -4.955 164 HG21 THR 676 HG21 THR 676 47.049 4.604 -7.228 165 HG22 THR 676 HG22 THR 676 45.650 5.550 -7.733 166 HG23 THR 676 HG23 THR 676 45.436 3.893 -7.167 167 H ASN 677 HN ASN 677 43.764 3.696 -2.677 168 HA ASN 677 HA ASN 677 46.018 4.268 -0.851 169 HB2 ASN 677 HB2 ASN 677 43.076 3.952 -0.769 170 HB3 ASN 677 HB1 ASN 677 43.921 3.340 0.654 171 HD21 ASN 677 HD21 ASN 677 45.998 5.120 1.013 172 HD22 ASN 677 HD22 ASN 677 45.409 6.696 1.236 173 H TRP 678 HN TRP 678 44.880 1.631 -2.650 174 HA TRP 678 HA TRP 678 45.599 -0.402 -0.602 175 HB2 TRP 678 HB2 TRP 678 44.753 -1.954 -2.352 176 HB3 TRP 678 HB1 TRP 678 43.590 -0.704 -1.952 177 HD1 TRP 678 HD1 TRP 678 42.791 0.840 -3.850 178 HE1 TRP 678 HE1 TRP 678 43.367 1.066 -6.355 179 HE3 TRP 678 HE3 TRP 678 46.848 -2.215 -4.083 180 HZ2 TRP 678 HZ2 TRP 678 45.306 0.066 -8.215 181 HZ3 TRP 678 HZ3 TRP 678 48.048 -2.576 -6.226 182 HH2 TRP 678 HH2 TRP 678 47.280 -1.437 -8.291 183 H LEU 679 HN LEU 679 47.135 1.370 -3.007 184 HA LEU 679 HA LEU 679 48.947 -0.588 -4.097 185 HB2 LEU 679 HB2 LEU 679 48.754 2.375 -3.932 186 HB3 LEU 679 HB1 LEU 679 50.167 1.622 -4.663 187 HG LEU 679 HG LEU 679 47.744 0.359 -5.601 188 HD11 LEU 679 HD11 LEU 679 46.838 2.271 -6.860 189 HD12 LEU 679 HD12 LEU 679 47.975 3.341 -6.038 190 HD13 LEU 679 HD13 LEU 679 46.712 2.523 -5.119 191 HD21 LEU 679 HD21 LEU 679 49.951 1.960 -6.928 192 HD22 LEU 679 HD22 LEU 679 48.726 1.045 -7.807 193 HD23 LEU 679 HD23 LEU 679 49.874 0.206 -6.764 194 H TRP 680 HN TRP 680 49.009 1.450 -1.227 195 HA TRP 680 HA TRP 680 51.812 1.263 -0.633 196 HB2 TRP 680 HB2 TRP 680 49.562 2.485 0.409 197 HB3 TRP 680 HB1 TRP 680 49.923 1.272 1.637 198 HD1 TRP 680 HD1 TRP 680 51.066 4.562 0.291 199 HE1 TRP 680 HE1 TRP 680 53.157 5.360 1.572 200 HE3 TRP 680 HE3 TRP 680 52.193 0.305 2.876 201 HZ2 TRP 680 HZ2 TRP 680 55.056 4.327 3.446 202 HZ3 TRP 680 HZ3 TRP 680 54.146 0.239 4.400 203 HH2 TRP 680 HH2 TRP 680 55.577 2.243 4.688 204 H TYR 681 HN TYR 681 49.211 -1.063 -0.291 205 HA TYR 681 HA TYR 681 50.368 -2.738 1.714 206 HB2 TYR 681 HB2 TYR 681 48.054 -2.897 0.800 207 HB3 TYR 681 HB1 TYR 681 48.715 -3.437 -0.743 208 HD1 TYR 681 HD2 TYR 681 50.146 -5.567 -0.766 209 HD2 TYR 681 HD1 TYR 681 47.660 -4.435 2.548 210 HE1 TYR 681 HE2 TYR 681 50.202 -7.901 0.072 211 HE2 TYR 681 HE1 TYR 681 47.715 -6.769 3.386 212 HH TYR 681 HH TYR 681 49.877 -9.129 2.110 213 H ILE 682 HN ILE 682 51.154 -2.192 -1.654 214 HA ILE 682 HA ILE 682 53.021 -4.510 -1.643 215 HB ILE 682 HB ILE 682 52.650 -2.749 -4.010 216 HG12 ILE 682 HG12 ILE 682 50.481 -4.584 -2.933 217 HG13 ILE 682 HG11 ILE 682 50.345 -2.850 -3.213 218 HG21 ILE 682 HG21 ILE 682 53.961 -5.009 -3.678 219 HG22 ILE 682 HG22 ILE 682 53.083 -4.706 -5.177 220 HG23 ILE 682 HG23 ILE 682 52.370 -5.728 -3.928 221 HD11 ILE 682 HD11 ILE 682 49.344 -3.725 -5.136 222 HD12 ILE 682 HD12 ILE 682 50.469 -5.080 -5.225 223 HD13 ILE 682 HD13 ILE 682 51.002 -3.461 -5.676 224 H LYS 683 HN LYS 683 54.659 -3.566 -0.349 225 HA LYS 683 HA LYS 683 55.806 -0.950 -0.881 226 HB2 LYS 683 HB2 LYS 683 57.462 -1.723 0.803 227 HB3 LYS 683 HB1 LYS 683 55.810 -2.040 1.331 228 HG2 LYS 683 HG2 LYS 683 55.975 -4.357 0.811 229 HG3 LYS 683 HG1 LYS 683 57.445 -4.119 -0.134 230 HD2 LYS 683 HD2 LYS 683 58.493 -4.779 1.777 231 HD3 LYS 683 HD1 LYS 683 58.223 -3.109 2.278 232 HE2 LYS 683 HE2 LYS 683 55.965 -5.005 2.732 233 HE3 LYS 683 HE1 LYS 683 57.388 -5.183 3.779 234 HZ1 LYS 683 HZ1 LYS 683 55.920 -2.654 3.242 235 HZ2 LYS 683 HZ2 LYS 683 57.324 -2.790 4.189 236 HZ3 LYS 683 HZ3 LYS 683 55.881 -3.534 4.691 Start of MODEL 2 1 H1 GLU 657 HT1 GLU 657 14.998 1.547 -0.357 2 H2 GLU 657 HT2 GLU 657 16.497 1.972 0.321 3 H3 GLU 657 HT3 GLU 657 16.420 1.372 -1.267 4 HA GLU 657 HA GLU 657 15.025 3.375 -1.846 5 HB2 GLU 657 HB2 GLU 657 16.037 4.066 0.932 6 HB3 GLU 657 HB1 GLU 657 15.230 5.203 -0.149 7 HG2 GLU 657 HG2 GLU 657 13.275 3.607 -0.230 8 HG3 GLU 657 HG1 GLU 657 14.067 2.670 1.037 9 H GLN 658 HN GLN 658 17.006 2.720 -3.218 10 HA GLN 658 HA GLN 658 19.272 4.616 -2.685 11 HB2 GLN 658 HB2 GLN 658 19.115 1.729 -3.409 12 HB3 GLN 658 HB1 GLN 658 20.400 2.665 -4.174 13 HG2 GLN 658 HG2 GLN 658 21.288 1.772 -2.116 14 HG3 GLN 658 HG1 GLN 658 21.039 3.503 -1.878 15 HE21 GLN 658 HE21 GLN 658 20.301 3.770 0.239 16 HE22 GLN 658 HE22 GLN 658 19.079 2.841 0.964 17 H GLU 659 HN GLU 659 19.246 6.201 -4.227 18 HA GLU 659 HA GLU 659 17.985 5.667 -6.867 19 HB2 GLU 659 HB2 GLU 659 19.017 8.194 -5.543 20 HB3 GLU 659 HB1 GLU 659 18.085 8.132 -7.038 21 HG2 GLU 659 HG2 GLU 659 17.107 7.089 -4.363 22 HG3 GLU 659 HG1 GLU 659 16.670 8.656 -5.046 23 H LEU 660 HN LEU 660 19.545 4.603 -8.096 24 HA LEU 660 HA LEU 660 22.331 5.591 -8.133 25 HB2 LEU 660 HB2 LEU 660 20.793 3.214 -9.111 26 HB3 LEU 660 HB1 LEU 660 22.345 3.577 -9.865 27 HG LEU 660 HG LEU 660 22.095 3.510 -6.867 28 HD11 LEU 660 HD11 LEU 660 22.770 1.129 -6.940 29 HD12 LEU 660 HD12 LEU 660 22.603 1.143 -8.696 30 HD13 LEU 660 HD13 LEU 660 21.185 1.369 -7.673 31 HD21 LEU 660 HD21 LEU 660 24.124 4.380 -8.234 32 HD22 LEU 660 HD22 LEU 660 24.416 2.681 -8.609 33 HD23 LEU 660 HD23 LEU 660 24.441 3.231 -6.933 34 H LEU 661 HN LEU 661 19.764 6.890 -9.428 35 HA LEU 661 HA LEU 661 20.750 7.099 -12.221 36 HB2 LEU 661 HB2 LEU 661 18.232 8.342 -11.163 37 HB3 LEU 661 HB1 LEU 661 18.545 7.672 -12.759 38 HG LEU 661 HG LEU 661 18.223 6.082 -10.199 39 HD11 LEU 661 HD11 LEU 661 16.478 5.863 -12.624 40 HD12 LEU 661 HD12 LEU 661 16.211 7.188 -11.489 41 HD13 LEU 661 HD13 LEU 661 16.097 5.516 -10.937 42 HD21 LEU 661 HD21 LEU 661 19.192 5.412 -12.937 43 HD22 LEU 661 HD22 LEU 661 18.098 4.257 -12.175 44 HD23 LEU 661 HD23 LEU 661 19.617 4.687 -11.387 45 H GLU 662 HN GLU 662 20.882 8.693 -9.300 46 HA GLU 662 HA GLU 662 21.041 11.431 -10.424 47 HB2 GLU 662 HB2 GLU 662 21.174 10.204 -7.659 48 HB3 GLU 662 HB1 GLU 662 21.417 11.928 -7.940 49 HG2 GLU 662 HG2 GLU 662 19.157 11.714 -9.290 50 HG3 GLU 662 HG1 GLU 662 18.930 10.287 -8.277 51 H LEU 663 HN LEU 663 22.988 12.746 -10.046 52 HA LEU 663 HA LEU 663 25.445 11.370 -10.688 53 HB2 LEU 663 HB2 LEU 663 24.551 14.157 -10.038 54 HB3 LEU 663 HB1 LEU 663 26.280 13.809 -10.102 55 HG LEU 663 HG LEU 663 24.321 13.141 -12.315 56 HD11 LEU 663 HD11 LEU 663 26.378 15.362 -12.191 57 HD12 LEU 663 HD12 LEU 663 24.649 15.600 -11.939 58 HD13 LEU 663 HD13 LEU 663 25.243 15.042 -13.504 59 HD21 LEU 663 HD21 LEU 663 26.633 13.052 -13.546 60 HD22 LEU 663 HD22 LEU 663 26.141 11.678 -12.557 61 HD23 LEU 663 HD23 LEU 663 27.293 12.854 -11.923 62 H ASP 664 HN ASP 664 23.895 12.176 -7.699 63 HA ASP 664 HA ASP 664 26.182 12.386 -5.979 64 HB2 ASP 664 HB2 ASP 664 23.328 11.448 -5.527 65 HB3 ASP 664 HB1 ASP 664 24.460 11.846 -4.234 66 H LYS 665 HN LYS 665 23.986 9.597 -6.538 67 HA LYS 665 HA LYS 665 25.529 7.683 -5.091 68 HB2 LYS 665 HB2 LYS 665 23.349 7.751 -7.100 69 HB3 LYS 665 HB1 LYS 665 24.242 6.233 -7.012 70 HG2 LYS 665 HG2 LYS 665 23.840 6.948 -4.338 71 HG3 LYS 665 HG1 LYS 665 22.316 7.349 -5.129 72 HD2 LYS 665 HD2 LYS 665 21.907 5.152 -5.765 73 HD3 LYS 665 HD1 LYS 665 23.618 4.721 -5.749 74 HE2 LYS 665 HE2 LYS 665 22.341 5.526 -3.155 75 HE3 LYS 665 HE1 LYS 665 22.033 3.895 -3.789 76 HZ1 LYS 665 HZ1 LYS 665 24.745 5.090 -3.625 77 HZ2 LYS 665 HZ2 LYS 665 24.342 3.472 -3.953 78 HZ3 LYS 665 HZ3 LYS 665 24.094 4.114 -2.399 79 H TRP 666 HN TRP 666 25.760 8.861 -8.425 80 HA TRP 666 HA TRP 666 27.769 6.850 -9.202 81 HB2 TRP 666 HB2 TRP 666 26.164 9.043 -10.389 82 HB3 TRP 666 HB1 TRP 666 27.726 8.751 -11.146 83 HD1 TRP 666 HD1 TRP 666 24.255 7.494 -11.083 84 HE1 TRP 666 HE1 TRP 666 24.084 5.256 -12.355 85 HE3 TRP 666 HE3 TRP 666 29.203 6.391 -11.566 86 HZ2 TRP 666 HZ2 TRP 666 25.830 3.257 -13.435 87 HZ3 TRP 666 HZ3 TRP 666 29.932 4.317 -12.717 88 HH2 TRP 666 HH2 TRP 666 28.251 2.750 -13.651 89 H ALA 667 HN ALA 667 27.739 9.989 -7.700 90 HA ALA 667 HA ALA 667 30.251 10.959 -8.668 91 HB1 ALA 667 HB1 ALA 667 28.508 11.446 -6.252 92 HB2 ALA 667 HB2 ALA 667 28.749 12.487 -7.654 93 HB3 ALA 667 HB3 ALA 667 30.032 12.309 -6.456 94 H SER 668 HN SER 668 29.417 8.874 -5.918 95 HA SER 668 HA SER 668 32.005 8.928 -4.673 96 HB2 SER 668 HB2 SER 668 31.133 6.988 -3.465 97 HB3 SER 668 HB1 SER 668 29.828 8.151 -3.679 98 HG SER 668 HG SER 668 28.898 6.387 -4.440 99 H LEU 669 HN LEU 669 30.933 7.462 -7.607 100 HA LEU 669 HA LEU 669 32.899 5.289 -7.616 101 HB2 LEU 669 HB2 LEU 669 30.862 6.528 -9.450 102 HB3 LEU 669 HB1 LEU 669 32.043 5.398 -10.098 103 HG LEU 669 HG LEU 669 31.196 4.157 -7.773 104 HD11 LEU 669 HD11 LEU 669 28.940 4.451 -7.455 105 HD12 LEU 669 HD12 LEU 669 28.652 4.883 -9.141 106 HD13 LEU 669 HD13 LEU 669 29.347 6.066 -8.032 107 HD21 LEU 669 HD21 LEU 669 30.013 2.623 -9.330 108 HD22 LEU 669 HD22 LEU 669 31.609 3.065 -9.935 109 HD23 LEU 669 HD23 LEU 669 30.167 3.826 -10.609 110 H TRP 670 HN TRP 670 32.518 8.485 -9.183 111 HA TRP 670 HA TRP 670 34.912 8.467 -10.738 112 HB2 TRP 670 HB2 TRP 670 32.821 10.118 -10.467 113 HB3 TRP 670 HB1 TRP 670 33.921 10.949 -9.367 114 HD1 TRP 670 HD1 TRP 670 33.082 10.640 -12.942 115 HE1 TRP 670 HE1 TRP 670 34.867 11.795 -14.401 116 HE3 TRP 670 HE3 TRP 670 36.745 11.355 -9.455 117 HZ2 TRP 670 HZ2 TRP 670 37.500 12.880 -14.125 118 HZ3 TRP 670 HZ3 TRP 670 38.879 12.451 -10.080 119 HH2 TRP 670 HH2 TRP 670 39.260 13.214 -12.407 120 H ALA 671 HN ALA 671 34.259 9.229 -7.338 121 HA ALA 671 HA ALA 671 36.920 10.187 -6.717 122 HB1 ALA 671 HB1 ALA 671 34.613 9.073 -5.086 123 HB2 ALA 671 HB2 ALA 671 34.991 10.774 -5.361 124 HB3 ALA 671 HB3 ALA 671 36.058 9.782 -4.366 125 H TRP 672 HN TRP 672 35.339 7.078 -6.902 126 HA TRP 672 HA TRP 672 37.038 5.503 -5.300 127 HB2 TRP 672 HB2 TRP 672 34.853 5.232 -7.091 128 HB3 TRP 672 HB1 TRP 672 36.078 4.075 -7.615 129 HD1 TRP 672 HD1 TRP 672 33.677 4.824 -4.778 130 HE1 TRP 672 HE1 TRP 672 33.720 2.861 -3.103 131 HE3 TRP 672 HE3 TRP 672 37.597 2.215 -6.643 132 HZ2 TRP 672 HZ2 TRP 672 35.251 0.477 -2.625 133 HZ3 TRP 672 HZ3 TRP 672 38.357 0.104 -5.572 134 HH2 TRP 672 HH2 TRP 672 37.182 -0.770 -3.569 135 H PHE 673 HN PHE 673 37.248 6.017 -8.858 136 HA PHE 673 HA PHE 673 39.480 4.441 -9.412 137 HB2 PHE 673 HB2 PHE 673 38.232 6.915 -10.481 138 HB3 PHE 673 HB1 PHE 673 39.876 6.589 -11.032 139 HD1 PHE 673 HD2 PHE 673 40.338 4.075 -11.745 140 HD2 PHE 673 HD1 PHE 673 36.456 5.910 -11.612 141 HE1 PHE 673 HE2 PHE 673 39.473 2.360 -13.314 142 HE2 PHE 673 HE1 PHE 673 35.592 4.194 -13.180 143 HZ PHE 673 HZ PHE 673 37.100 2.419 -14.031 144 H ALA 674 HN ALA 674 39.527 7.854 -8.309 145 HA ALA 674 HA ALA 674 42.414 8.036 -8.226 146 HB1 ALA 674 HB1 ALA 674 40.499 9.811 -8.351 147 HB2 ALA 674 HB2 ALA 674 41.976 10.208 -7.473 148 HB3 ALA 674 HB3 ALA 674 40.532 9.711 -6.591 149 H ILE 675 HN ILE 675 40.701 5.995 -6.354 150 HA ILE 675 HA ILE 675 41.821 6.687 -3.721 151 HB ILE 675 HB ILE 675 40.274 4.347 -4.791 152 HG12 ILE 675 HG12 ILE 675 39.513 6.981 -3.578 153 HG13 ILE 675 HG11 ILE 675 38.839 6.186 -4.984 154 HG21 ILE 675 HG21 ILE 675 41.704 4.347 -2.495 155 HG22 ILE 675 HG22 ILE 675 40.191 3.463 -2.682 156 HG23 ILE 675 HG23 ILE 675 40.197 5.050 -1.915 157 HD11 ILE 675 HD11 ILE 675 38.356 5.536 -2.081 158 HD12 ILE 675 HD12 ILE 675 38.009 4.367 -3.356 159 HD13 ILE 675 HD13 ILE 675 37.169 5.918 -3.329 160 H THR 676 HN THR 676 43.999 6.478 -5.118 161 HA THR 676 HA THR 676 44.979 3.730 -5.430 162 HB THR 676 HB THR 676 45.554 6.388 -6.350 163 HG1 THR 676 HG1 THR 676 46.714 5.170 -7.893 164 HG21 THR 676 HG21 THR 676 48.024 4.911 -5.420 165 HG22 THR 676 HG22 THR 676 47.362 6.332 -4.608 166 HG23 THR 676 HG23 THR 676 47.960 6.459 -6.261 167 H ASN 677 HN ASN 677 44.177 4.556 -2.704 168 HA ASN 677 HA ASN 677 46.721 4.828 -1.218 169 HB2 ASN 677 HB2 ASN 677 43.802 5.093 -0.751 170 HB3 ASN 677 HB1 ASN 677 44.748 4.542 0.632 171 HD21 ASN 677 HD21 ASN 677 43.455 7.288 -0.175 172 HD22 ASN 677 HD22 ASN 677 44.709 8.395 0.112 173 H TRP 678 HN TRP 678 44.718 2.307 -2.399 174 HA TRP 678 HA TRP 678 45.383 0.395 -0.248 175 HB2 TRP 678 HB2 TRP 678 44.038 -1.134 -1.692 176 HB3 TRP 678 HB1 TRP 678 43.187 0.351 -1.306 177 HD1 TRP 678 HD1 TRP 678 42.420 1.837 -3.264 178 HE1 TRP 678 HE1 TRP 678 42.680 1.721 -5.828 179 HE3 TRP 678 HE3 TRP 678 45.803 -1.943 -3.621 180 HZ2 TRP 678 HZ2 TRP 678 44.139 0.208 -7.776 181 HZ3 TRP 678 HZ3 TRP 678 46.617 -2.717 -5.834 182 HH2 TRP 678 HH2 TRP 678 45.789 -1.644 -7.912 183 H LEU 679 HN LEU 679 46.881 1.565 -3.017 184 HA LEU 679 HA LEU 679 48.114 -0.814 -4.070 185 HB2 LEU 679 HB2 LEU 679 48.534 2.123 -4.230 186 HB3 LEU 679 HB1 LEU 679 49.679 1.031 -5.002 187 HG LEU 679 HG LEU 679 46.917 0.267 -5.528 188 HD11 LEU 679 HD11 LEU 679 46.954 2.891 -5.287 189 HD12 LEU 679 HD12 LEU 679 46.093 2.124 -6.623 190 HD13 LEU 679 HD13 LEU 679 47.697 2.811 -6.885 191 HD21 LEU 679 HD21 LEU 679 49.488 0.674 -6.965 192 HD22 LEU 679 HD22 LEU 679 48.021 0.799 -7.936 193 HD23 LEU 679 HD23 LEU 679 48.362 -0.681 -7.038 194 H TRP 680 HN TRP 680 48.961 1.388 -1.458 195 HA TRP 680 HA TRP 680 51.729 0.671 -1.208 196 HB2 TRP 680 HB2 TRP 680 51.602 2.167 0.515 197 HB3 TRP 680 HB1 TRP 680 49.962 2.451 -0.060 198 HD1 TRP 680 HD1 TRP 680 48.039 1.867 1.534 199 HE1 TRP 680 HE1 TRP 680 47.863 0.724 3.837 200 HE3 TRP 680 HE3 TRP 680 52.830 0.176 2.045 201 HZ2 TRP 680 HZ2 TRP 680 49.535 -0.718 5.657 202 HZ3 TRP 680 HZ3 TRP 680 53.511 -1.078 4.071 203 HH2 TRP 680 HH2 TRP 680 51.871 -1.527 5.876 204 H TYR 681 HN TYR 681 48.812 -1.035 -0.276 205 HA TYR 681 HA TYR 681 49.919 -2.731 1.743 206 HB2 TYR 681 HB2 TYR 681 47.507 -2.495 1.188 207 HB3 TYR 681 HB1 TYR 681 47.797 -3.267 -0.371 208 HD1 TYR 681 HD1 TYR 681 47.644 -3.780 3.280 209 HD2 TYR 681 HD2 TYR 681 48.241 -5.654 -0.539 210 HE1 TYR 681 HE1 TYR 681 47.389 -6.011 4.334 211 HE2 TYR 681 HE2 TYR 681 47.986 -7.884 0.515 212 HH TYR 681 HH TYR 681 48.181 -8.920 2.690 213 H ILE 682 HN ILE 682 50.192 -2.715 -1.760 214 HA ILE 682 HA ILE 682 51.616 -5.327 -1.690 215 HB ILE 682 HB ILE 682 51.129 -3.820 -4.208 216 HG12 ILE 682 HG12 ILE 682 48.917 -5.074 -2.545 217 HG13 ILE 682 HG11 ILE 682 49.018 -3.393 -3.063 218 HG21 ILE 682 HG21 ILE 682 52.072 -6.247 -3.718 219 HG22 ILE 682 HG22 ILE 682 51.060 -5.938 -5.128 220 HG23 ILE 682 HG23 ILE 682 50.357 -6.655 -3.678 221 HD11 ILE 682 HD11 ILE 682 47.469 -4.607 -4.517 222 HD12 ILE 682 HD12 ILE 682 48.714 -5.801 -4.880 223 HD13 ILE 682 HD13 ILE 682 48.901 -4.137 -5.432 224 H LYS 683 HN LYS 683 53.605 -4.580 -0.828 225 HA LYS 683 HA LYS 683 55.062 -2.384 -2.167 226 HB2 LYS 683 HB2 LYS 683 54.894 -2.917 0.364 227 HB3 LYS 683 HB1 LYS 683 56.050 -4.207 0.029 228 HG2 LYS 683 HG2 LYS 683 56.649 -1.467 -1.014 229 HG3 LYS 683 HG1 LYS 683 56.884 -1.775 0.707 230 HD2 LYS 683 HD2 LYS 683 58.122 -3.939 -0.160 231 HD3 LYS 683 HD1 LYS 683 58.288 -2.998 -1.643 232 HE2 LYS 683 HE2 LYS 683 59.534 -1.287 -0.550 233 HE3 LYS 683 HE1 LYS 683 59.063 -1.869 1.060 234 HZ1 LYS 683 HZ1 LYS 683 61.304 -2.620 0.397 235 HZ2 LYS 683 HZ2 LYS 683 60.619 -3.450 -0.918 236 HZ3 LYS 683 HZ3 LYS 683 60.239 -3.911 0.673 Start of MODEL 3 1 H1 GLU 657 HT1 GLU 657 20.938 9.612 -0.785 2 H2 GLU 657 HT2 GLU 657 21.412 10.064 -2.353 3 H3 GLU 657 HT3 GLU 657 20.029 9.104 -2.123 4 HA GLU 657 HA GLU 657 19.040 11.011 -0.833 5 HB2 GLU 657 HB2 GLU 657 21.591 11.828 -0.765 6 HB3 GLU 657 HB1 GLU 657 21.091 12.688 -2.222 7 HG2 GLU 657 HG2 GLU 657 20.482 14.261 -0.648 8 HG3 GLU 657 HG1 GLU 657 18.998 13.308 -0.678 9 H GLN 658 HN GLN 658 20.682 10.911 -4.002 10 HA GLN 658 HA GLN 658 18.091 11.749 -5.268 11 HB2 GLN 658 HB2 GLN 658 20.966 12.315 -6.067 12 HB3 GLN 658 HB1 GLN 658 19.547 12.827 -6.981 13 HG2 GLN 658 HG2 GLN 658 20.027 13.582 -4.087 14 HG3 GLN 658 HG1 GLN 658 20.491 14.601 -5.449 15 HE21 GLN 658 HE21 GLN 658 18.437 15.229 -3.395 16 HE22 GLN 658 HE22 GLN 658 16.974 15.422 -4.235 17 H GLU 659 HN GLU 659 18.803 11.228 -7.909 18 HA GLU 659 HA GLU 659 18.906 8.257 -7.909 19 HB2 GLU 659 HB2 GLU 659 17.271 10.080 -9.103 20 HB3 GLU 659 HB1 GLU 659 18.452 9.827 -10.389 21 HG2 GLU 659 HG2 GLU 659 16.834 8.160 -10.796 22 HG3 GLU 659 HG1 GLU 659 18.103 7.299 -9.925 23 H LEU 660 HN LEU 660 19.766 8.280 -10.756 24 HA LEU 660 HA LEU 660 22.689 8.564 -10.275 25 HB2 LEU 660 HB2 LEU 660 20.884 6.921 -11.999 26 HB3 LEU 660 HB1 LEU 660 22.519 7.227 -12.584 27 HG LEU 660 HG LEU 660 21.972 6.208 -9.792 28 HD11 LEU 660 HD11 LEU 660 22.481 3.957 -10.649 29 HD12 LEU 660 HD12 LEU 660 22.598 4.598 -12.287 30 HD13 LEU 660 HD13 LEU 660 21.049 4.610 -11.444 31 HD21 LEU 660 HD21 LEU 660 24.356 6.652 -11.550 32 HD22 LEU 660 HD22 LEU 660 24.397 5.298 -10.420 33 HD23 LEU 660 HD23 LEU 660 24.172 6.941 -9.820 34 H LEU 661 HN LEU 661 20.529 10.664 -11.210 35 HA LEU 661 HA LEU 661 21.820 11.523 -13.741 36 HB2 LEU 661 HB2 LEU 661 19.459 12.830 -12.419 37 HB3 LEU 661 HB1 LEU 661 19.821 12.696 -14.134 38 HG LEU 661 HG LEU 661 18.967 10.426 -12.315 39 HD11 LEU 661 HD11 LEU 661 17.520 11.540 -14.715 40 HD12 LEU 661 HD12 LEU 661 17.261 12.185 -13.094 41 HD13 LEU 661 HD13 LEU 661 16.888 10.497 -13.442 42 HD21 LEU 661 HD21 LEU 661 18.813 9.243 -14.605 43 HD22 LEU 661 HD22 LEU 661 20.426 9.473 -13.929 44 HD23 LEU 661 HD23 LEU 661 19.845 10.543 -15.205 45 H GLU 662 HN GLU 662 21.893 12.103 -10.453 46 HA GLU 662 HA GLU 662 22.767 14.938 -10.702 47 HB2 GLU 662 HB2 GLU 662 21.947 13.069 -8.485 48 HB3 GLU 662 HB1 GLU 662 22.794 14.571 -8.111 49 HG2 GLU 662 HG2 GLU 662 20.933 15.520 -9.827 50 HG3 GLU 662 HG1 GLU 662 20.041 14.159 -9.145 51 H LEU 663 HN LEU 663 24.874 15.588 -10.041 52 HA LEU 663 HA LEU 663 27.028 13.769 -10.540 53 HB2 LEU 663 HB2 LEU 663 26.706 16.523 -9.369 54 HB3 LEU 663 HB1 LEU 663 28.296 15.756 -9.409 55 HG LEU 663 HG LEU 663 26.747 15.607 -11.931 56 HD11 LEU 663 HD11 LEU 663 26.765 17.838 -12.484 57 HD12 LEU 663 HD12 LEU 663 28.153 18.191 -11.453 58 HD13 LEU 663 HD13 LEU 663 26.551 18.004 -10.740 59 HD21 LEU 663 HD21 LEU 663 28.963 14.761 -11.989 60 HD22 LEU 663 HD22 LEU 663 29.596 16.125 -11.066 61 HD23 LEU 663 HD23 LEU 663 29.090 16.352 -12.739 62 H ASP 664 HN ASP 664 25.142 14.326 -7.706 63 HA ASP 664 HA ASP 664 27.061 13.724 -5.661 64 HB2 ASP 664 HB2 ASP 664 24.465 14.536 -5.799 65 HB3 ASP 664 HB1 ASP 664 24.243 12.848 -5.335 66 H LYS 665 HN LYS 665 24.505 11.590 -7.009 67 HA LYS 665 HA LYS 665 25.481 9.171 -5.862 68 HB2 LYS 665 HB2 LYS 665 23.595 10.068 -7.948 69 HB3 LYS 665 HB1 LYS 665 24.210 8.431 -8.188 70 HG2 LYS 665 HG2 LYS 665 23.549 8.850 -5.400 71 HG3 LYS 665 HG1 LYS 665 22.163 9.231 -6.419 72 HD2 LYS 665 HD2 LYS 665 21.882 6.939 -6.146 73 HD3 LYS 665 HD1 LYS 665 22.826 6.982 -7.635 74 HE2 LYS 665 HE2 LYS 665 24.903 6.622 -6.350 75 HE3 LYS 665 HE1 LYS 665 23.965 6.587 -4.844 76 HZ1 LYS 665 HZ1 LYS 665 24.338 4.349 -5.790 77 HZ2 LYS 665 HZ2 LYS 665 23.470 4.811 -7.175 78 HZ3 LYS 665 HZ3 LYS 665 22.694 4.744 -5.665 79 H TRP 666 HN TRP 666 26.346 10.861 -8.850 80 HA TRP 666 HA TRP 666 28.012 8.652 -9.862 81 HB2 TRP 666 HB2 TRP 666 27.042 11.335 -10.678 82 HB3 TRP 666 HB1 TRP 666 28.589 10.840 -11.359 83 HD1 TRP 666 HD1 TRP 666 24.989 10.518 -11.933 84 HE1 TRP 666 HE1 TRP 666 24.492 8.625 -13.616 85 HE3 TRP 666 HE3 TRP 666 29.525 8.206 -11.998 86 HZ2 TRP 666 HZ2 TRP 666 25.854 6.413 -14.829 87 HZ3 TRP 666 HZ3 TRP 666 29.909 6.208 -13.422 88 HH2 TRP 666 HH2 TRP 666 28.079 5.311 -14.836 89 H ALA 667 HN ALA 667 28.419 11.384 -7.743 90 HA ALA 667 HA ALA 667 31.171 11.947 -8.292 91 HB1 ALA 667 HB1 ALA 667 29.238 12.386 -6.030 92 HB2 ALA 667 HB2 ALA 667 29.963 13.576 -7.112 93 HB3 ALA 667 HB3 ALA 667 30.931 12.841 -5.834 94 H SER 668 HN SER 668 29.630 9.632 -6.077 95 HA SER 668 HA SER 668 32.022 8.922 -4.655 96 HB2 SER 668 HB2 SER 668 30.659 7.136 -3.812 97 HB3 SER 668 HB1 SER 668 29.549 8.470 -4.112 98 HG SER 668 HG SER 668 28.728 6.571 -5.008 99 H LEU 669 HN LEU 669 30.977 8.213 -7.880 100 HA LEU 669 HA LEU 669 32.498 5.726 -8.167 101 HB2 LEU 669 HB2 LEU 669 30.935 7.656 -9.866 102 HB3 LEU 669 HB1 LEU 669 31.951 6.446 -10.638 103 HG LEU 669 HG LEU 669 30.644 5.008 -8.663 104 HD11 LEU 669 HD11 LEU 669 29.214 7.258 -8.673 105 HD12 LEU 669 HD12 LEU 669 28.455 5.679 -8.470 106 HD13 LEU 669 HD13 LEU 669 28.446 6.466 -10.048 107 HD21 LEU 669 HD21 LEU 669 30.961 4.042 -10.798 108 HD22 LEU 669 HD22 LEU 669 30.181 5.393 -11.620 109 HD23 LEU 669 HD23 LEU 669 29.213 4.247 -10.691 110 H TRP 670 HN TRP 670 32.907 9.161 -9.102 111 HA TRP 670 HA TRP 670 35.411 8.907 -10.453 112 HB2 TRP 670 HB2 TRP 670 33.676 10.901 -10.022 113 HB3 TRP 670 HB1 TRP 670 34.781 11.260 -8.695 114 HD1 TRP 670 HD1 TRP 670 34.341 11.766 -12.324 115 HE1 TRP 670 HE1 TRP 670 36.484 12.745 -13.370 116 HE3 TRP 670 HE3 TRP 670 37.607 11.065 -8.462 117 HZ2 TRP 670 HZ2 TRP 670 39.222 13.175 -12.662 118 HZ3 TRP 670 HZ3 TRP 670 39.974 11.767 -8.674 119 HH2 TRP 670 HH2 TRP 670 40.785 12.821 -10.767 120 H ALA 671 HN ALA 671 34.521 9.157 -7.037 121 HA ALA 671 HA ALA 671 37.220 9.385 -6.014 122 HB1 ALA 671 HB1 ALA 671 34.806 9.840 -5.001 123 HB2 ALA 671 HB2 ALA 671 36.124 9.325 -3.947 124 HB3 ALA 671 HB3 ALA 671 34.931 8.152 -4.506 125 H TRP 672 HN TRP 672 35.092 6.783 -6.981 126 HA TRP 672 HA TRP 672 36.305 4.600 -5.645 127 HB2 TRP 672 HB2 TRP 672 34.296 5.164 -7.626 128 HB3 TRP 672 HB1 TRP 672 35.268 3.807 -8.189 129 HD1 TRP 672 HD1 TRP 672 32.563 4.687 -5.766 130 HE1 TRP 672 HE1 TRP 672 32.006 2.635 -4.303 131 HE3 TRP 672 HE3 TRP 672 36.438 1.698 -7.022 132 HZ2 TRP 672 HZ2 TRP 672 33.100 0.034 -3.743 133 HZ3 TRP 672 HZ3 TRP 672 36.696 -0.566 -6.023 134 HH2 TRP 672 HH2 TRP 672 35.024 -1.401 -4.387 135 H PHE 673 HN PHE 673 36.829 5.702 -9.040 136 HA PHE 673 HA PHE 673 38.827 3.860 -9.750 137 HB2 PHE 673 HB2 PHE 673 38.001 6.612 -10.509 138 HB3 PHE 673 HB1 PHE 673 39.612 6.124 -11.037 139 HD1 PHE 673 HD1 PHE 673 39.644 3.526 -11.896 140 HD2 PHE 673 HD2 PHE 673 36.283 6.198 -12.019 141 HE1 PHE 673 HE1 PHE 673 38.641 2.180 -13.721 142 HE2 PHE 673 HE2 PHE 673 35.280 4.851 -13.844 143 HZ PHE 673 HZ PHE 673 36.458 2.843 -14.694 144 H ALA 674 HN ALA 674 39.242 7.032 -8.169 145 HA ALA 674 HA ALA 674 42.117 6.847 -7.920 146 HB1 ALA 674 HB1 ALA 674 41.867 8.912 -6.807 147 HB2 ALA 674 HB2 ALA 674 40.264 8.489 -6.206 148 HB3 ALA 674 HB3 ALA 674 40.497 8.856 -7.915 149 H ILE 675 HN ILE 675 40.133 4.733 -6.477 150 HA ILE 675 HA ILE 675 40.794 4.948 -3.664 151 HB ILE 675 HB ILE 675 39.895 2.734 -5.473 152 HG12 ILE 675 HG12 ILE 675 38.531 4.940 -4.856 153 HG13 ILE 675 HG11 ILE 675 37.731 3.383 -5.015 154 HG21 ILE 675 HG21 ILE 675 40.650 1.461 -3.699 155 HG22 ILE 675 HG22 ILE 675 39.037 1.858 -3.111 156 HG23 ILE 675 HG23 ILE 675 40.432 2.773 -2.539 157 HD11 ILE 675 HD11 ILE 675 38.816 4.348 -2.366 158 HD12 ILE 675 HD12 ILE 675 37.635 3.073 -2.662 159 HD13 ILE 675 HD13 ILE 675 37.190 4.761 -2.910 160 H THR 676 HN THR 676 43.183 5.385 -4.596 161 HA THR 676 HA THR 676 44.751 2.946 -5.061 162 HB THR 676 HB THR 676 44.960 5.334 -6.057 163 HG1 THR 676 HG1 THR 676 46.844 4.638 -6.675 164 HG21 THR 676 HG21 THR 676 46.849 5.760 -3.797 165 HG22 THR 676 HG22 THR 676 45.142 6.126 -3.547 166 HG23 THR 676 HG23 THR 676 46.043 6.945 -4.824 167 H ASN 677 HN ASN 677 43.374 3.247 -2.470 168 HA ASN 677 HA ASN 677 45.464 3.861 -0.494 169 HB2 ASN 677 HB2 ASN 677 42.563 3.197 -0.586 170 HB3 ASN 677 HB1 ASN 677 43.417 2.778 0.900 171 HD21 ASN 677 HD21 ASN 677 41.404 4.945 0.559 172 HD22 ASN 677 HD22 ASN 677 42.198 6.390 0.961 173 H TRP 678 HN TRP 678 44.414 1.120 -2.293 174 HA TRP 678 HA TRP 678 45.474 -0.807 -0.302 175 HB2 TRP 678 HB2 TRP 678 44.514 -2.458 -1.875 176 HB3 TRP 678 HB1 TRP 678 43.332 -1.243 -1.420 177 HD1 TRP 678 HD1 TRP 678 42.505 0.439 -3.279 178 HE1 TRP 678 HE1 TRP 678 42.727 0.436 -5.849 179 HE3 TRP 678 HE3 TRP 678 46.116 -3.102 -3.832 180 HZ2 TRP 678 HZ2 TRP 678 44.243 -0.909 -7.876 181 HZ3 TRP 678 HZ3 TRP 678 46.936 -3.739 -6.087 182 HH2 TRP 678 HH2 TRP 678 46.004 -2.644 -8.108 183 H LEU 679 HN LEU 679 46.366 0.811 -3.211 184 HA LEU 679 HA LEU 679 48.383 -1.024 -4.166 185 HB2 LEU 679 HB2 LEU 679 47.665 1.835 -4.583 186 HB3 LEU 679 HB1 LEU 679 49.078 1.144 -5.371 187 HG LEU 679 HG LEU 679 46.831 -0.645 -5.621 188 HD11 LEU 679 HD11 LEU 679 46.400 2.232 -6.387 189 HD12 LEU 679 HD12 LEU 679 45.322 1.160 -5.495 190 HD13 LEU 679 HD13 LEU 679 45.572 0.920 -7.224 191 HD21 LEU 679 HD21 LEU 679 48.134 0.969 -7.813 192 HD22 LEU 679 HD22 LEU 679 47.487 -0.669 -7.897 193 HD23 LEU 679 HD23 LEU 679 48.984 -0.355 -7.019 194 H TRP 680 HN TRP 680 48.368 1.615 -1.841 195 HA TRP 680 HA TRP 680 51.190 2.076 -1.664 196 HB2 TRP 680 HB2 TRP 680 48.911 3.126 -0.588 197 HB3 TRP 680 HB1 TRP 680 49.533 2.233 0.796 198 HD1 TRP 680 HD1 TRP 680 50.466 5.033 -1.616 199 HE1 TRP 680 HE1 TRP 680 52.338 6.458 -0.555 200 HE3 TRP 680 HE3 TRP 680 51.441 2.237 2.536 201 HZ2 TRP 680 HZ2 TRP 680 54.025 6.410 1.757 202 HZ3 TRP 680 HZ3 TRP 680 53.181 2.946 4.152 203 HH2 TRP 680 HH2 TRP 680 54.473 5.027 3.768 204 H TYR 681 HN TYR 681 49.218 -0.562 -0.462 205 HA TYR 681 HA TYR 681 50.890 -1.489 1.647 206 HB2 TYR 681 HB2 TYR 681 48.559 -2.261 0.822 207 HB3 TYR 681 HB1 TYR 681 49.438 -3.241 -0.352 208 HD1 TYR 681 HD2 TYR 681 51.316 -4.786 0.582 209 HD2 TYR 681 HD1 TYR 681 48.197 -3.080 2.991 210 HE1 TYR 681 HE2 TYR 681 51.713 -6.512 2.317 211 HE2 TYR 681 HE1 TYR 681 48.593 -4.807 4.727 212 HH TYR 681 HH TYR 681 50.755 -6.295 5.377 213 H ILE 682 HN ILE 682 51.275 -1.549 -1.826 214 HA ILE 682 HA ILE 682 53.640 -3.343 -1.576 215 HB ILE 682 HB ILE 682 52.673 -2.369 -4.208 216 HG12 ILE 682 HG12 ILE 682 51.057 -4.256 -2.456 217 HG13 ILE 682 HG11 ILE 682 50.520 -2.707 -3.100 218 HG21 ILE 682 HG21 ILE 682 53.396 -4.468 -4.918 219 HG22 ILE 682 HG22 ILE 682 53.090 -5.212 -3.349 220 HG23 ILE 682 HG23 ILE 682 54.481 -4.147 -3.566 221 HD11 ILE 682 HD11 ILE 682 49.578 -4.254 -4.599 222 HD12 ILE 682 HD12 ILE 682 51.011 -5.284 -4.578 223 HD13 ILE 682 HD13 ILE 682 51.048 -3.738 -5.428 224 H LYS 683 HN LYS 683 55.118 -1.786 -0.782 225 HA LYS 683 HA LYS 683 55.589 0.684 -2.363 226 HB2 LYS 683 HB2 LYS 683 55.508 0.170 0.303 227 HB3 LYS 683 HB1 LYS 683 57.236 -0.023 0.008 228 HG2 LYS 683 HG2 LYS 683 57.133 2.213 -1.228 229 HG3 LYS 683 HG1 LYS 683 55.523 2.409 -0.534 230 HD2 LYS 683 HD2 LYS 683 56.874 1.734 1.698 231 HD3 LYS 683 HD1 LYS 683 58.182 2.500 0.796 232 HE2 LYS 683 HE2 LYS 683 56.381 4.388 0.360 233 HE3 LYS 683 HE1 LYS 683 55.632 3.712 1.821 234 HZ1 LYS 683 HZ1 LYS 683 58.448 4.615 1.530 235 HZ2 LYS 683 HZ2 LYS 683 57.830 3.822 2.899 236 HZ3 LYS 683 HZ3 LYS 683 57.244 5.357 2.465 Start of MODEL 4 1 H1 GLU 657 HT1 GLU 657 18.235 2.014 -6.352 2 H2 GLU 657 HT2 GLU 657 16.757 1.265 -6.728 3 H3 GLU 657 HT3 GLU 657 18.060 0.339 -6.153 4 HA GLU 657 HA GLU 657 16.311 0.790 -4.443 5 HB2 GLU 657 HB2 GLU 657 19.230 1.326 -4.391 6 HB3 GLU 657 HB1 GLU 657 18.334 1.847 -2.964 7 HG2 GLU 657 HG2 GLU 657 17.735 -0.871 -4.036 8 HG3 GLU 657 HG1 GLU 657 19.272 -0.650 -3.200 9 H GLN 658 HN GLN 658 18.392 3.632 -5.135 10 HA GLN 658 HA GLN 658 16.065 5.384 -4.416 11 HB2 GLN 658 HB2 GLN 658 18.993 5.594 -3.645 12 HB3 GLN 658 HB1 GLN 658 17.806 6.866 -3.350 13 HG2 GLN 658 HG2 GLN 658 16.544 5.484 -1.870 14 HG3 GLN 658 HG1 GLN 658 17.412 4.033 -2.372 15 HE21 GLN 658 HE21 GLN 658 18.057 7.238 -0.843 16 HE22 GLN 658 HE22 GLN 658 19.299 6.669 0.166 17 H GLU 659 HN GLU 659 17.214 7.824 -4.995 18 HA GLU 659 HA GLU 659 17.109 7.948 -7.864 19 HB2 GLU 659 HB2 GLU 659 18.205 9.913 -5.832 20 HB3 GLU 659 HB1 GLU 659 17.680 10.308 -7.468 21 HG2 GLU 659 HG2 GLU 659 15.452 9.068 -6.590 22 HG3 GLU 659 HG1 GLU 659 16.052 9.694 -5.054 23 H LEU 660 HN LEU 660 18.750 6.550 -8.686 24 HA LEU 660 HA LEU 660 21.570 7.073 -7.958 25 HB2 LEU 660 HB2 LEU 660 19.992 4.999 -9.429 26 HB3 LEU 660 HB1 LEU 660 21.712 5.142 -9.790 27 HG LEU 660 HG LEU 660 20.956 5.137 -6.913 28 HD11 LEU 660 HD11 LEU 660 20.577 2.793 -6.786 29 HD12 LEU 660 HD12 LEU 660 21.081 2.542 -8.457 30 HD13 LEU 660 HD13 LEU 660 19.550 3.346 -8.108 31 HD21 LEU 660 HD21 LEU 660 23.099 3.650 -8.462 32 HD22 LEU 660 HD22 LEU 660 23.049 3.936 -6.722 33 HD23 LEU 660 HD23 LEU 660 23.306 5.284 -7.830 34 H LEU 661 HN LEU 661 19.636 8.807 -9.749 35 HA LEU 661 HA LEU 661 21.288 8.930 -12.209 36 HB2 LEU 661 HB2 LEU 661 18.842 10.574 -11.615 37 HB3 LEU 661 HB1 LEU 661 19.416 9.984 -13.170 38 HG LEU 661 HG LEU 661 18.228 8.293 -10.952 39 HD11 LEU 661 HD11 LEU 661 17.207 8.949 -13.726 40 HD12 LEU 661 HD12 LEU 661 16.618 9.686 -12.236 41 HD13 LEU 661 HD13 LEU 661 16.388 7.960 -12.518 42 HD21 LEU 661 HD21 LEU 661 19.735 6.834 -11.975 43 HD22 LEU 661 HD22 LEU 661 19.616 7.645 -13.535 44 HD23 LEU 661 HD23 LEU 661 18.305 6.604 -12.981 45 H GLU 662 HN GLU 662 20.963 10.399 -9.226 46 HA GLU 662 HA GLU 662 21.725 13.124 -9.962 47 HB2 GLU 662 HB2 GLU 662 21.381 11.510 -7.441 48 HB3 GLU 662 HB1 GLU 662 22.107 13.116 -7.367 49 HG2 GLU 662 HG2 GLU 662 20.025 13.800 -8.834 50 HG3 GLU 662 HG1 GLU 662 19.319 12.333 -8.153 51 H LEU 663 HN LEU 663 23.806 14.085 -9.514 52 HA LEU 663 HA LEU 663 26.086 12.466 -10.157 53 HB2 LEU 663 HB2 LEU 663 25.588 15.258 -9.143 54 HB3 LEU 663 HB1 LEU 663 27.238 14.662 -9.341 55 HG LEU 663 HG LEU 663 25.430 14.138 -11.624 56 HD11 LEU 663 HD11 LEU 663 26.530 16.909 -11.466 57 HD12 LEU 663 HD12 LEU 663 25.032 16.568 -10.597 58 HD13 LEU 663 HD13 LEU 663 25.121 16.309 -12.340 59 HD21 LEU 663 HD21 LEU 663 28.218 15.310 -11.357 60 HD22 LEU 663 HD22 LEU 663 27.458 14.809 -12.866 61 HD23 LEU 663 HD23 LEU 663 27.846 13.609 -11.633 62 H ASP 664 HN ASP 664 24.461 13.012 -7.171 63 HA ASP 664 HA ASP 664 26.649 12.818 -5.324 64 HB2 ASP 664 HB2 ASP 664 23.708 12.084 -5.177 65 HB3 ASP 664 HB1 ASP 664 24.774 12.135 -3.772 66 H LYS 665 HN LYS 665 24.278 10.292 -6.274 67 HA LYS 665 HA LYS 665 25.654 8.106 -5.065 68 HB2 LYS 665 HB2 LYS 665 23.753 8.336 -7.417 69 HB3 LYS 665 HB1 LYS 665 24.224 6.793 -6.702 70 HG2 LYS 665 HG2 LYS 665 23.513 8.135 -4.461 71 HG3 LYS 665 HG1 LYS 665 22.439 8.909 -5.627 72 HD2 LYS 665 HD2 LYS 665 21.233 6.994 -5.995 73 HD3 LYS 665 HD1 LYS 665 22.635 5.946 -5.778 74 HE2 LYS 665 HE2 LYS 665 22.407 6.917 -3.255 75 HE3 LYS 665 HE1 LYS 665 20.704 6.948 -3.754 76 HZ1 LYS 665 HZ1 LYS 665 22.574 4.645 -3.882 77 HZ2 LYS 665 HZ2 LYS 665 21.054 4.662 -4.642 78 HZ3 LYS 665 HZ3 LYS 665 21.162 4.769 -2.950 79 H TRP 666 HN TRP 666 26.010 9.640 -8.238 80 HA TRP 666 HA TRP 666 27.858 7.581 -9.249 81 HB2 TRP 666 HB2 TRP 666 26.458 10.031 -10.163 82 HB3 TRP 666 HB1 TRP 666 27.992 9.688 -10.957 83 HD1 TRP 666 HD1 TRP 666 24.448 8.882 -11.205 84 HE1 TRP 666 HE1 TRP 666 24.070 6.784 -12.658 85 HE3 TRP 666 HE3 TRP 666 29.212 7.099 -11.404 86 HZ2 TRP 666 HZ2 TRP 666 25.601 4.627 -13.762 87 HZ3 TRP 666 HZ3 TRP 666 29.736 5.022 -12.660 88 HH2 TRP 666 HH2 TRP 666 27.937 3.785 -13.838 89 H ALA 667 HN ALA 667 28.086 10.514 -7.388 90 HA ALA 667 HA ALA 667 30.671 11.380 -8.256 91 HB1 ALA 667 HB1 ALA 667 29.365 12.928 -7.066 92 HB2 ALA 667 HB2 ALA 667 30.549 12.434 -5.856 93 HB3 ALA 667 HB3 ALA 667 28.926 11.746 -5.833 94 H SER 668 HN SER 668 29.681 9.067 -5.748 95 HA SER 668 HA SER 668 32.263 8.778 -4.543 96 HB2 SER 668 HB2 SER 668 29.647 7.700 -4.337 97 HB3 SER 668 HB1 SER 668 30.785 6.364 -4.404 98 HG SER 668 HG SER 668 30.519 7.097 -2.273 99 H LEU 669 HN LEU 669 31.085 7.742 -7.603 100 HA LEU 669 HA LEU 669 32.887 5.438 -7.860 101 HB2 LEU 669 HB2 LEU 669 30.918 6.991 -9.525 102 HB3 LEU 669 HB1 LEU 669 32.000 5.841 -10.299 103 HG LEU 669 HG LEU 669 31.096 4.454 -8.081 104 HD11 LEU 669 HD11 LEU 669 29.405 6.487 -8.059 105 HD12 LEU 669 HD12 LEU 669 28.846 4.846 -7.732 106 HD13 LEU 669 HD13 LEU 669 28.614 5.556 -9.331 107 HD21 LEU 669 HD21 LEU 669 29.523 4.193 -10.592 108 HD22 LEU 669 HD22 LEU 669 30.374 2.956 -9.666 109 HD23 LEU 669 HD23 LEU 669 31.272 4.027 -10.742 110 H TRP 670 HN TRP 670 32.703 8.797 -9.096 111 HA TRP 670 HA TRP 670 35.070 8.769 -10.694 112 HB2 TRP 670 HB2 TRP 670 33.106 10.531 -10.204 113 HB3 TRP 670 HB1 TRP 670 34.294 11.169 -9.067 114 HD1 TRP 670 HD1 TRP 670 33.352 11.253 -12.633 115 HE1 TRP 670 HE1 TRP 670 35.184 12.410 -14.029 116 HE3 TRP 670 HE3 TRP 670 37.130 11.380 -9.199 117 HZ2 TRP 670 HZ2 TRP 670 37.894 13.275 -13.729 118 HZ3 TRP 670 HZ3 TRP 670 39.323 12.376 -9.780 119 HH2 TRP 670 HH2 TRP 670 39.710 13.322 -12.039 120 H ALA 671 HN ALA 671 34.505 9.216 -7.224 121 HA ALA 671 HA ALA 671 37.233 9.910 -6.547 122 HB1 ALA 671 HB1 ALA 671 35.297 8.539 -4.695 123 HB2 ALA 671 HB2 ALA 671 34.912 10.152 -5.296 124 HB3 ALA 671 HB3 ALA 671 36.384 9.887 -4.360 125 H TRP 672 HN TRP 672 35.419 6.968 -7.038 126 HA TRP 672 HA TRP 672 37.028 5.083 -5.673 127 HB2 TRP 672 HB2 TRP 672 34.785 5.212 -7.429 128 HB3 TRP 672 HB1 TRP 672 35.890 4.016 -8.098 129 HD1 TRP 672 HD1 TRP 672 33.365 4.493 -5.396 130 HE1 TRP 672 HE1 TRP 672 33.345 2.425 -3.847 131 HE3 TRP 672 HE3 TRP 672 37.552 2.192 -7.033 132 HZ2 TRP 672 HZ2 TRP 672 34.943 0.077 -3.376 133 HZ3 TRP 672 HZ3 TRP 672 38.320 0.047 -6.037 134 HH2 TRP 672 HH2 TRP 672 37.013 -1.016 -4.212 135 H PHE 673 HN PHE 673 37.142 5.910 -9.191 136 HA PHE 673 HA PHE 673 39.221 4.284 -10.001 137 HB2 PHE 673 HB2 PHE 673 38.165 6.950 -10.697 138 HB3 PHE 673 HB1 PHE 673 39.816 6.667 -11.250 139 HD1 PHE 673 HD2 PHE 673 36.427 5.077 -11.186 140 HD2 PHE 673 HD1 PHE 673 40.210 5.411 -13.193 141 HE1 PHE 673 HE2 PHE 673 35.569 3.669 -13.038 142 HE2 PHE 673 HE1 PHE 673 39.352 4.002 -15.044 143 HZ PHE 673 HZ PHE 673 37.031 3.130 -14.967 144 H ALA 674 HN ALA 674 39.630 7.471 -8.443 145 HA ALA 674 HA ALA 674 42.539 7.228 -8.320 146 HB1 ALA 674 HB1 ALA 674 42.222 9.369 -7.006 147 HB2 ALA 674 HB2 ALA 674 40.485 9.133 -7.195 148 HB3 ALA 674 HB3 ALA 674 41.504 9.364 -8.616 149 H ILE 675 HN ILE 675 40.508 5.396 -6.536 150 HA ILE 675 HA ILE 675 41.447 6.039 -3.854 151 HB ILE 675 HB ILE 675 40.223 4.058 -3.255 152 HG12 ILE 675 HG12 ILE 675 39.056 3.423 -5.794 153 HG13 ILE 675 HG11 ILE 675 40.806 3.238 -5.888 154 HG21 ILE 675 HG21 ILE 675 38.034 4.802 -4.034 155 HG22 ILE 675 HG22 ILE 675 38.822 5.744 -5.298 156 HG23 ILE 675 HG23 ILE 675 39.060 6.170 -3.607 157 HD11 ILE 675 HD11 ILE 675 40.513 2.022 -3.588 158 HD12 ILE 675 HD12 ILE 675 40.142 1.155 -5.078 159 HD13 ILE 675 HD13 ILE 675 38.838 1.840 -4.107 160 H THR 676 HN THR 676 43.697 5.986 -4.654 161 HA THR 676 HA THR 676 44.934 3.343 -5.046 162 HB THR 676 HB THR 676 45.450 5.658 -6.117 163 HG1 THR 676 HG1 THR 676 47.507 3.998 -5.093 164 HG21 THR 676 HG21 THR 676 46.773 7.128 -4.940 165 HG22 THR 676 HG22 THR 676 47.409 5.867 -3.884 166 HG23 THR 676 HG23 THR 676 45.776 6.486 -3.635 167 H ASN 677 HN ASN 677 43.616 3.921 -2.466 168 HA ASN 677 HA ASN 677 45.793 4.299 -0.519 169 HB2 ASN 677 HB2 ASN 677 43.074 4.772 -0.609 170 HB3 ASN 677 HB1 ASN 677 43.165 3.318 0.386 171 HD21 ASN 677 HD21 ASN 677 42.822 6.437 0.922 172 HD22 ASN 677 HD22 ASN 677 43.858 6.687 2.243 173 H TRP 678 HN TRP 678 44.310 1.688 -2.209 174 HA TRP 678 HA TRP 678 45.108 -0.312 -0.167 175 HB2 TRP 678 HB2 TRP 678 43.869 -1.845 -1.654 176 HB3 TRP 678 HB1 TRP 678 42.901 -0.440 -1.243 177 HD1 TRP 678 HD1 TRP 678 42.297 1.255 -3.166 178 HE1 TRP 678 HE1 TRP 678 42.489 1.119 -5.735 179 HE3 TRP 678 HE3 TRP 678 45.357 -2.786 -3.595 180 HZ2 TRP 678 HZ2 TRP 678 43.775 -0.507 -7.714 181 HZ3 TRP 678 HZ3 TRP 678 46.053 -3.623 -5.826 182 HH2 TRP 678 HH2 TRP 678 45.266 -2.486 -7.885 183 H LEU 679 HN LEU 679 46.176 1.048 -3.147 184 HA LEU 679 HA LEU 679 47.847 -1.110 -4.084 185 HB2 LEU 679 HB2 LEU 679 47.578 1.813 -4.571 186 HB3 LEU 679 HB1 LEU 679 48.861 0.897 -5.355 187 HG LEU 679 HG LEU 679 46.351 -0.526 -5.521 188 HD11 LEU 679 HD11 LEU 679 45.143 1.485 -5.481 189 HD12 LEU 679 HD12 LEU 679 45.375 1.172 -7.201 190 HD13 LEU 679 HD13 LEU 679 46.388 2.356 -6.375 191 HD21 LEU 679 HD21 LEU 679 48.480 0.519 -7.350 192 HD22 LEU 679 HD22 LEU 679 46.957 -0.023 -8.054 193 HD23 LEU 679 HD23 LEU 679 47.935 -1.140 -7.102 194 H TRP 680 HN TRP 680 48.334 1.543 -1.822 195 HA TRP 680 HA TRP 680 51.201 1.518 -1.741 196 HB2 TRP 680 HB2 TRP 680 48.914 2.529 -0.174 197 HB3 TRP 680 HB1 TRP 680 50.351 2.210 0.798 198 HD1 TRP 680 HD1 TRP 680 48.912 4.628 -1.657 199 HE1 TRP 680 HE1 TRP 680 50.631 6.474 -2.187 200 HE3 TRP 680 HE3 TRP 680 53.071 2.607 0.508 201 HZ2 TRP 680 HZ2 TRP 680 53.406 7.020 -1.750 202 HZ3 TRP 680 HZ3 TRP 680 55.237 3.809 0.437 203 HH2 TRP 680 HH2 TRP 680 55.409 6.011 -0.688 204 H TYR 681 HN TYR 681 48.849 -0.719 -0.430 205 HA TYR 681 HA TYR 681 50.382 -1.864 1.676 206 HB2 TYR 681 HB2 TYR 681 47.994 -2.338 1.150 207 HB3 TYR 681 HB1 TYR 681 48.495 -3.174 -0.320 208 HD1 TYR 681 HD1 TYR 681 49.997 -5.215 -0.122 209 HD2 TYR 681 HD2 TYR 681 48.025 -3.438 3.256 210 HE1 TYR 681 HE1 TYR 681 50.344 -7.298 1.178 211 HE2 TYR 681 HE2 TYR 681 48.372 -5.521 4.555 212 HH TYR 681 HH TYR 681 48.801 -8.260 3.554 213 H ILE 682 HN ILE 682 50.696 -2.057 -1.801 214 HA ILE 682 HA ILE 682 52.738 -4.209 -1.547 215 HB ILE 682 HB ILE 682 51.915 -3.105 -4.178 216 HG12 ILE 682 HG12 ILE 682 50.042 -4.704 -2.396 217 HG13 ILE 682 HG11 ILE 682 49.749 -3.092 -3.044 218 HG21 ILE 682 HG21 ILE 682 52.306 -5.284 -4.888 219 HG22 ILE 682 HG22 ILE 682 51.872 -5.976 -3.325 220 HG23 ILE 682 HG23 ILE 682 53.419 -5.154 -3.526 221 HD11 ILE 682 HD11 ILE 682 49.891 -4.052 -5.356 222 HD12 ILE 682 HD12 ILE 682 48.546 -4.693 -4.414 223 HD13 ILE 682 HD13 ILE 682 50.005 -5.658 -4.635 224 H LYS 683 HN LYS 683 54.462 -2.911 -0.779 225 HA LYS 683 HA LYS 683 55.283 -0.468 -2.182 226 HB2 LYS 683 HB2 LYS 683 55.451 -1.167 0.341 227 HB3 LYS 683 HB1 LYS 683 56.914 -2.008 -0.172 228 HG2 LYS 683 HG2 LYS 683 57.464 0.293 -1.340 229 HG3 LYS 683 HG1 LYS 683 56.331 0.935 -0.150 230 HD2 LYS 683 HD2 LYS 683 58.617 -0.881 0.630 231 HD3 LYS 683 HD1 LYS 683 58.798 0.871 0.550 232 HE2 LYS 683 HE2 LYS 683 56.598 0.848 2.038 233 HE3 LYS 683 HE1 LYS 683 57.177 -0.775 2.462 234 HZ1 LYS 683 HZ1 LYS 683 58.814 1.705 2.547 235 HZ2 LYS 683 HZ2 LYS 683 59.338 0.147 2.976 236 HZ3 LYS 683 HZ3 LYS 683 58.150 0.932 3.903 Start of MODEL 5 1 H1 GLU 657 HT1 GLU 657 18.706 0.856 1.225 2 H2 GLU 657 HT2 GLU 657 18.532 1.399 2.825 3 H3 GLU 657 HT3 GLU 657 19.685 2.114 1.803 4 HA GLU 657 HA GLU 657 16.728 2.346 1.646 5 HB2 GLU 657 HB2 GLU 657 19.116 4.124 2.166 6 HB3 GLU 657 HB1 GLU 657 17.548 4.799 1.719 7 HG2 GLU 657 HG2 GLU 657 16.577 4.227 3.718 8 HG3 GLU 657 HG1 GLU 657 17.549 2.765 3.890 9 H GLN 658 HN GLN 658 19.498 4.003 0.125 10 HA GLN 658 HA GLN 658 18.138 3.670 -2.522 11 HB2 GLN 658 HB2 GLN 658 20.168 5.662 -1.455 12 HB3 GLN 658 HB1 GLN 658 19.518 5.683 -3.095 13 HG2 GLN 658 HG2 GLN 658 17.485 6.484 -2.424 14 HG3 GLN 658 HG1 GLN 658 17.508 5.569 -0.916 15 HE21 GLN 658 HE21 GLN 658 19.426 6.415 0.631 16 HE22 GLN 658 HE22 GLN 658 19.516 8.104 0.779 17 H GLU 659 HN GLU 659 19.316 2.783 -4.255 18 HA GLU 659 HA GLU 659 21.848 1.410 -3.519 19 HB2 GLU 659 HB2 GLU 659 21.346 0.102 -5.565 20 HB3 GLU 659 HB1 GLU 659 19.965 0.135 -4.473 21 HG2 GLU 659 HG2 GLU 659 18.681 1.106 -6.038 22 HG3 GLU 659 HG1 GLU 659 19.851 2.408 -6.245 23 H LEU 660 HN LEU 660 22.519 1.282 -6.481 24 HA LEU 660 HA LEU 660 24.048 3.808 -6.556 25 HB2 LEU 660 HB2 LEU 660 24.133 1.106 -7.830 26 HB3 LEU 660 HB1 LEU 660 24.942 2.437 -8.659 27 HG LEU 660 HG LEU 660 25.399 1.735 -5.746 28 HD11 LEU 660 HD11 LEU 660 26.137 0.060 -7.645 29 HD12 LEU 660 HD12 LEU 660 27.265 0.480 -6.356 30 HD13 LEU 660 HD13 LEU 660 27.400 1.258 -7.933 31 HD21 LEU 660 HD21 LEU 660 27.518 3.138 -6.316 32 HD22 LEU 660 HD22 LEU 660 25.998 3.994 -6.062 33 HD23 LEU 660 HD23 LEU 660 26.582 3.704 -7.700 34 H LEU 661 HN LEU 661 21.029 3.375 -7.373 35 HA LEU 661 HA LEU 661 21.074 4.176 -10.187 36 HB2 LEU 661 HB2 LEU 661 18.717 3.923 -10.040 37 HB3 LEU 661 HB1 LEU 661 19.427 2.632 -9.070 38 HG LEU 661 HG LEU 661 19.269 4.481 -7.174 39 HD11 LEU 661 HD11 LEU 661 16.785 5.421 -7.787 40 HD12 LEU 661 HD12 LEU 661 17.535 5.418 -9.383 41 HD13 LEU 661 HD13 LEU 661 18.270 6.330 -8.064 42 HD21 LEU 661 HD21 LEU 661 17.961 2.150 -7.792 43 HD22 LEU 661 HD22 LEU 661 16.620 3.294 -7.718 44 HD23 LEU 661 HD23 LEU 661 17.680 3.085 -6.323 45 H GLU 662 HN GLU 662 21.812 5.852 -7.554 46 HA GLU 662 HA GLU 662 20.276 8.310 -8.274 47 HB2 GLU 662 HB2 GLU 662 21.735 7.265 -5.863 48 HB3 GLU 662 HB1 GLU 662 21.465 9.000 -6.023 49 HG2 GLU 662 HG2 GLU 662 18.991 8.038 -6.658 50 HG3 GLU 662 HG1 GLU 662 19.527 6.832 -5.488 51 H LEU 663 HN LEU 663 21.465 10.323 -8.552 52 HA LEU 663 HA LEU 663 23.794 10.173 -10.175 53 HB2 LEU 663 HB2 LEU 663 22.344 12.301 -8.631 54 HB3 LEU 663 HB1 LEU 663 23.848 12.696 -9.466 55 HG LEU 663 HG LEU 663 21.889 11.134 -11.047 56 HD11 LEU 663 HD11 LEU 663 20.248 12.731 -11.249 57 HD12 LEU 663 HD12 LEU 663 21.352 14.061 -10.900 58 HD13 LEU 663 HD13 LEU 663 20.729 13.064 -9.586 59 HD21 LEU 663 HD21 LEU 663 22.897 12.230 -12.812 60 HD22 LEU 663 HD22 LEU 663 24.198 12.363 -11.628 61 HD23 LEU 663 HD23 LEU 663 23.110 13.724 -11.898 62 H ASP 664 HN ASP 664 23.671 11.719 -6.982 63 HA ASP 664 HA ASP 664 26.411 11.861 -6.446 64 HB2 ASP 664 HB2 ASP 664 25.670 11.921 -4.066 65 HB3 ASP 664 HB1 ASP 664 24.633 12.900 -5.104 66 H LYS 665 HN LYS 665 24.242 9.079 -6.089 67 HA LYS 665 HA LYS 665 25.921 7.373 -4.552 68 HB2 LYS 665 HB2 LYS 665 23.618 7.177 -6.385 69 HB3 LYS 665 HB1 LYS 665 24.567 5.697 -6.229 70 HG2 LYS 665 HG2 LYS 665 23.765 7.262 -3.785 71 HG3 LYS 665 HG1 LYS 665 22.654 6.115 -4.520 72 HD2 LYS 665 HD2 LYS 665 23.698 4.553 -3.250 73 HD3 LYS 665 HD1 LYS 665 24.999 4.670 -4.434 74 HE2 LYS 665 HE2 LYS 665 26.330 5.303 -2.701 75 HE3 LYS 665 HE1 LYS 665 25.444 6.841 -2.715 76 HZ1 LYS 665 HZ1 LYS 665 24.771 4.390 -1.182 77 HZ2 LYS 665 HZ2 LYS 665 23.707 5.703 -1.359 78 HZ3 LYS 665 HZ3 LYS 665 25.191 5.909 -0.556 79 H TRP 666 HN TRP 666 25.854 8.084 -8.036 80 HA TRP 666 HA TRP 666 27.946 6.105 -8.658 81 HB2 TRP 666 HB2 TRP 666 26.110 7.988 -10.029 82 HB3 TRP 666 HB1 TRP 666 27.640 7.694 -10.849 83 HD1 TRP 666 HD1 TRP 666 24.283 6.254 -10.410 84 HE1 TRP 666 HE1 TRP 666 24.203 3.840 -11.320 85 HE3 TRP 666 HE3 TRP 666 29.267 5.376 -10.971 86 HZ2 TRP 666 HZ2 TRP 666 26.029 1.803 -12.175 87 HZ3 TRP 666 HZ3 TRP 666 30.080 3.195 -11.834 88 HH2 TRP 666 HH2 TRP 666 28.467 1.410 -12.436 89 H ALA 667 HN ALA 667 27.750 9.441 -7.673 90 HA ALA 667 HA ALA 667 30.122 10.424 -8.923 91 HB1 ALA 667 HB1 ALA 667 28.878 11.233 -6.279 92 HB2 ALA 667 HB2 ALA 667 28.219 11.697 -7.848 93 HB3 ALA 667 HB3 ALA 667 29.820 12.257 -7.363 94 H SER 668 HN SER 668 29.601 8.763 -5.826 95 HA SER 668 HA SER 668 32.235 9.193 -4.774 96 HB2 SER 668 HB2 SER 668 31.582 7.215 -3.343 97 HB3 SER 668 HB1 SER 668 30.358 8.479 -3.397 98 HG SER 668 HG SER 668 29.535 6.331 -3.746 99 H LEU 669 HN LEU 669 31.067 7.107 -7.298 100 HA LEU 669 HA LEU 669 33.206 5.132 -7.130 101 HB2 LEU 669 HB2 LEU 669 31.003 5.954 -8.999 102 HB3 LEU 669 HB1 LEU 669 32.248 4.857 -9.577 103 HG LEU 669 HG LEU 669 31.620 3.850 -7.069 104 HD11 LEU 669 HD11 LEU 669 29.358 3.974 -6.683 105 HD12 LEU 669 HD12 LEU 669 28.970 4.174 -8.391 106 HD13 LEU 669 HD13 LEU 669 29.591 5.537 -7.463 107 HD21 LEU 669 HD21 LEU 669 30.279 2.152 -8.523 108 HD22 LEU 669 HD22 LEU 669 32.003 2.346 -8.842 109 HD23 LEU 669 HD23 LEU 669 30.818 3.134 -9.886 110 H TRP 670 HN TRP 670 32.570 8.056 -9.087 111 HA TRP 670 HA TRP 670 34.890 7.944 -10.746 112 HB2 TRP 670 HB2 TRP 670 32.731 9.498 -10.630 113 HB3 TRP 670 HB1 TRP 670 33.788 10.525 -9.661 114 HD1 TRP 670 HD1 TRP 670 32.936 9.717 -13.157 115 HE1 TRP 670 HE1 TRP 670 34.623 10.802 -14.778 116 HE3 TRP 670 HE3 TRP 670 36.568 11.110 -9.850 117 HZ2 TRP 670 HZ2 TRP 670 37.175 12.090 -14.684 118 HZ3 TRP 670 HZ3 TRP 670 38.614 12.262 -10.639 119 HH2 TRP 670 HH2 TRP 670 38.922 12.753 -13.050 120 H ALA 671 HN ALA 671 34.346 9.123 -7.447 121 HA ALA 671 HA ALA 671 36.968 10.305 -7.100 122 HB1 ALA 671 HB1 ALA 671 36.205 10.037 -4.636 123 HB2 ALA 671 HB2 ALA 671 34.715 9.377 -5.309 124 HB3 ALA 671 HB3 ALA 671 35.196 11.031 -5.686 125 H TRP 672 HN TRP 672 35.578 7.113 -6.755 126 HA TRP 672 HA TRP 672 37.431 5.877 -5.042 127 HB2 TRP 672 HB2 TRP 672 35.254 5.218 -6.785 128 HB3 TRP 672 HB1 TRP 672 36.537 4.036 -7.030 129 HD1 TRP 672 HD1 TRP 672 34.093 5.319 -4.402 130 HE1 TRP 672 HE1 TRP 672 34.115 3.700 -2.393 131 HE3 TRP 672 HE3 TRP 672 37.978 2.360 -5.748 132 HZ2 TRP 672 HZ2 TRP 672 35.614 1.427 -1.480 133 HZ3 TRP 672 HZ3 TRP 672 38.710 0.474 -4.305 134 HH2 TRP 672 HH2 TRP 672 37.527 0.002 -2.174 135 H PHE 673 HN PHE 673 37.506 5.909 -8.642 136 HA PHE 673 HA PHE 673 39.795 4.395 -9.079 137 HB2 PHE 673 HB2 PHE 673 38.327 6.575 -10.402 138 HB3 PHE 673 HB1 PHE 673 40.012 6.456 -10.912 139 HD1 PHE 673 HD2 PHE 673 40.816 3.875 -11.210 140 HD2 PHE 673 HD1 PHE 673 36.794 5.325 -11.622 141 HE1 PHE 673 HE2 PHE 673 40.253 1.913 -12.619 142 HE2 PHE 673 HE1 PHE 673 36.231 3.363 -13.031 143 HZ PHE 673 HZ PHE 673 37.960 1.657 -13.529 144 H ALA 674 HN ALA 674 39.741 7.924 -8.399 145 HA ALA 674 HA ALA 674 42.624 8.195 -8.438 146 HB1 ALA 674 HB1 ALA 674 40.519 9.852 -8.603 147 HB2 ALA 674 HB2 ALA 674 42.120 10.415 -8.122 148 HB3 ALA 674 HB3 ALA 674 40.900 10.069 -6.895 149 H ILE 675 HN ILE 675 41.011 6.368 -6.274 150 HA ILE 675 HA ILE 675 42.220 7.383 -3.786 151 HB ILE 675 HB ILE 675 40.658 4.922 -4.495 152 HG12 ILE 675 HG12 ILE 675 39.901 7.686 -3.612 153 HG13 ILE 675 HG11 ILE 675 39.190 6.707 -4.877 154 HG21 ILE 675 HG21 ILE 675 40.644 4.331 -2.281 155 HG22 ILE 675 HG22 ILE 675 40.683 6.008 -1.736 156 HG23 ILE 675 HG23 ILE 675 42.165 5.223 -2.276 157 HD11 ILE 675 HD11 ILE 675 38.806 6.455 -1.901 158 HD12 ILE 675 HD12 ILE 675 38.455 5.108 -2.982 159 HD13 ILE 675 HD13 ILE 675 37.578 6.628 -3.154 160 H THR 676 HN THR 676 44.367 7.034 -5.153 161 HA THR 676 HA THR 676 45.377 4.346 -5.456 162 HB THR 676 HB THR 676 47.517 6.173 -5.162 163 HG1 THR 676 HG1 THR 676 46.519 8.007 -5.369 164 HG21 THR 676 HG21 THR 676 46.087 4.702 -7.268 165 HG22 THR 676 HG22 THR 676 47.820 4.871 -6.985 166 HG23 THR 676 HG23 THR 676 46.938 6.138 -7.837 167 H ASN 677 HN ASN 677 44.291 4.862 -2.760 168 HA ASN 677 HA ASN 677 46.693 4.848 -1.021 169 HB2 ASN 677 HB2 ASN 677 43.696 4.998 -0.626 170 HB3 ASN 677 HB1 ASN 677 44.803 4.791 0.732 171 HD21 ASN 677 HD21 ASN 677 46.269 6.580 1.240 172 HD22 ASN 677 HD22 ASN 677 46.012 8.133 0.606 173 H TRP 678 HN TRP 678 44.779 2.639 -2.746 174 HA TRP 678 HA TRP 678 44.983 0.486 -0.708 175 HB2 TRP 678 HB2 TRP 678 43.662 -0.768 -2.386 176 HB3 TRP 678 HB1 TRP 678 42.926 0.776 -2.002 177 HD1 TRP 678 HD1 TRP 678 42.552 2.438 -3.929 178 HE1 TRP 678 HE1 TRP 678 43.094 2.428 -6.452 179 HE3 TRP 678 HE3 TRP 678 45.536 -1.673 -4.153 180 HZ2 TRP 678 HZ2 TRP 678 44.600 0.861 -8.321 181 HZ3 TRP 678 HZ3 TRP 678 46.512 -2.421 -6.311 182 HH2 TRP 678 HH2 TRP 678 46.047 -1.156 -8.394 183 H LEU 679 HN LEU 679 46.846 1.741 -3.224 184 HA LEU 679 HA LEU 679 48.019 -0.670 -4.292 185 HB2 LEU 679 HB2 LEU 679 48.648 2.240 -4.257 186 HB3 LEU 679 HB1 LEU 679 49.754 1.098 -5.015 187 HG LEU 679 HG LEU 679 47.048 0.505 -5.795 188 HD11 LEU 679 HD11 LEU 679 46.197 2.597 -5.797 189 HD12 LEU 679 HD12 LEU 679 47.172 2.804 -7.251 190 HD13 LEU 679 HD13 LEU 679 47.787 3.351 -5.691 191 HD21 LEU 679 HD21 LEU 679 48.985 -0.204 -7.067 192 HD22 LEU 679 HD22 LEU 679 49.514 1.466 -7.271 193 HD23 LEU 679 HD23 LEU 679 48.047 0.902 -8.071 194 H TRP 680 HN TRP 680 48.739 1.385 -1.527 195 HA TRP 680 HA TRP 680 51.415 0.487 -1.012 196 HB2 TRP 680 HB2 TRP 680 49.634 2.310 0.027 197 HB3 TRP 680 HB1 TRP 680 49.670 1.091 1.299 198 HD1 TRP 680 HD1 TRP 680 51.710 3.810 -0.286 199 HE1 TRP 680 HE1 TRP 680 53.953 4.057 0.965 200 HE3 TRP 680 HE3 TRP 680 51.528 -0.347 2.669 201 HZ2 TRP 680 HZ2 TRP 680 55.468 2.669 2.959 202 HZ3 TRP 680 HZ3 TRP 680 53.380 -0.862 4.232 203 HH2 TRP 680 HH2 TRP 680 55.348 0.639 4.382 204 H TYR 681 HN TYR 681 48.302 -1.038 -0.443 205 HA TYR 681 HA TYR 681 49.141 -2.905 1.572 206 HB2 TYR 681 HB2 TYR 681 46.809 -2.230 0.350 207 HB3 TYR 681 HB1 TYR 681 47.176 -3.723 -0.514 208 HD1 TYR 681 HD1 TYR 681 46.985 -2.310 2.950 209 HD2 TYR 681 HD2 TYR 681 46.668 -5.796 0.461 210 HE1 TYR 681 HE1 TYR 681 46.206 -3.631 4.899 211 HE2 TYR 681 HE2 TYR 681 45.889 -7.117 2.410 212 HH TYR 681 HH TYR 681 44.605 -6.203 4.853 213 H ILE 682 HN ILE 682 49.598 -2.735 -1.907 214 HA ILE 682 HA ILE 682 50.748 -5.478 -1.919 215 HB ILE 682 HB ILE 682 50.573 -3.781 -4.356 216 HG12 ILE 682 HG12 ILE 682 48.147 -4.905 -2.911 217 HG13 ILE 682 HG11 ILE 682 48.445 -3.214 -3.306 218 HG21 ILE 682 HG21 ILE 682 49.530 -6.568 -4.012 219 HG22 ILE 682 HG22 ILE 682 51.272 -6.292 -4.018 220 HG23 ILE 682 HG23 ILE 682 50.300 -5.831 -5.416 221 HD11 ILE 682 HD11 ILE 682 48.572 -4.042 -5.769 222 HD12 ILE 682 HD12 ILE 682 46.984 -3.905 -5.014 223 HD13 ILE 682 HD13 ILE 682 47.757 -5.484 -5.164 224 H LYS 683 HN LYS 683 52.730 -4.968 -0.883 225 HA LYS 683 HA LYS 683 54.473 -2.824 -1.851 226 HB2 LYS 683 HB2 LYS 683 54.535 -5.008 0.214 227 HB3 LYS 683 HB1 LYS 683 56.036 -4.182 -0.208 228 HG2 LYS 683 HG2 LYS 683 54.357 -2.054 0.080 229 HG3 LYS 683 HG1 LYS 683 53.674 -3.170 1.262 230 HD2 LYS 683 HD2 LYS 683 55.309 -2.054 2.518 231 HD3 LYS 683 HD1 LYS 683 56.161 -3.508 1.999 232 HE2 LYS 683 HE2 LYS 683 57.739 -1.992 1.287 233 HE3 LYS 683 HE1 LYS 683 56.663 -1.845 -0.116 234 HZ1 LYS 683 HZ1 LYS 683 55.507 -0.056 0.923 235 HZ2 LYS 683 HZ2 LYS 683 57.165 0.309 0.997 236 HZ3 LYS 683 HZ3 LYS 683 56.355 -0.262 2.378 Start of MODEL 6 1 H1 GLU 657 HT1 GLU 657 17.359 3.133 -7.774 2 H2 GLU 657 HT2 GLU 657 18.127 1.665 -7.397 3 H3 GLU 657 HT3 GLU 657 18.962 3.134 -7.222 4 HA GLU 657 HA GLU 657 16.718 2.112 -5.568 5 HB2 GLU 657 HB2 GLU 657 19.097 1.383 -5.203 6 HB3 GLU 657 HB1 GLU 657 19.532 3.075 -4.957 7 HG2 GLU 657 HG2 GLU 657 17.828 3.174 -3.110 8 HG3 GLU 657 HG1 GLU 657 17.603 1.434 -3.292 9 H GLN 658 HN GLN 658 18.692 4.946 -6.445 10 HA GLN 658 HA GLN 658 16.538 6.702 -5.356 11 HB2 GLN 658 HB2 GLN 658 19.448 6.554 -4.587 12 HB3 GLN 658 HB1 GLN 658 18.570 8.077 -4.434 13 HG2 GLN 658 HG2 GLN 658 16.992 7.127 -2.912 14 HG3 GLN 658 HG1 GLN 658 17.540 5.487 -3.261 15 HE21 GLN 658 HE21 GLN 658 17.865 8.003 -1.030 16 HE22 GLN 658 HE22 GLN 658 19.330 7.524 -0.319 17 H GLU 659 HN GLU 659 17.659 9.143 -5.844 18 HA GLU 659 HA GLU 659 17.440 9.494 -8.665 19 HB2 GLU 659 HB2 GLU 659 18.805 11.217 -6.577 20 HB3 GLU 659 HB1 GLU 659 18.207 11.774 -8.138 21 HG2 GLU 659 HG2 GLU 659 15.957 10.616 -7.200 22 HG3 GLU 659 HG1 GLU 659 16.698 11.086 -5.669 23 H LEU 660 HN LEU 660 18.917 8.066 -9.710 24 HA LEU 660 HA LEU 660 21.808 8.318 -9.149 25 HB2 LEU 660 HB2 LEU 660 19.982 6.534 -10.715 26 HB3 LEU 660 HB1 LEU 660 21.690 6.577 -11.157 27 HG LEU 660 HG LEU 660 20.787 6.175 -8.301 28 HD11 LEU 660 HD11 LEU 660 21.314 4.097 -10.447 29 HD12 LEU 660 HD12 LEU 660 19.799 4.362 -9.583 30 HD13 LEU 660 HD13 LEU 660 21.207 3.737 -8.723 31 HD21 LEU 660 HD21 LEU 660 23.020 5.506 -7.924 32 HD22 LEU 660 HD22 LEU 660 23.185 6.868 -9.032 33 HD23 LEU 660 HD23 LEU 660 23.318 5.217 -9.638 34 H LEU 661 HN LEU 661 19.911 10.363 -10.626 35 HA LEU 661 HA LEU 661 21.455 10.629 -13.148 36 HB2 LEU 661 HB2 LEU 661 19.114 12.327 -12.349 37 HB3 LEU 661 HB1 LEU 661 19.588 11.788 -13.954 38 HG LEU 661 HG LEU 661 18.410 10.046 -11.773 39 HD11 LEU 661 HD11 LEU 661 17.243 10.696 -14.476 40 HD12 LEU 661 HD12 LEU 661 16.924 11.701 -13.060 41 HD13 LEU 661 HD13 LEU 661 16.432 10.008 -13.069 42 HD21 LEU 661 HD21 LEU 661 18.293 8.545 -14.006 43 HD22 LEU 661 HD22 LEU 661 19.674 8.494 -12.911 44 HD23 LEU 661 HD23 LEU 661 19.746 9.475 -14.376 45 H GLU 662 HN GLU 662 21.338 11.808 -10.034 46 HA GLU 662 HA GLU 662 22.252 14.549 -10.627 47 HB2 GLU 662 HB2 GLU 662 21.794 12.904 -8.125 48 HB3 GLU 662 HB1 GLU 662 22.385 14.565 -8.077 49 HG2 GLU 662 HG2 GLU 662 20.374 15.269 -9.387 50 HG3 GLU 662 HG1 GLU 662 19.765 13.618 -9.272 51 H LEU 663 HN LEU 663 24.360 15.329 -9.858 52 HA LEU 663 HA LEU 663 26.549 13.560 -10.502 53 HB2 LEU 663 HB2 LEU 663 26.278 16.314 -9.283 54 HB3 LEU 663 HB1 LEU 663 27.847 15.588 -9.625 55 HG LEU 663 HG LEU 663 26.060 15.319 -11.902 56 HD11 LEU 663 HD11 LEU 663 26.822 18.169 -11.389 57 HD12 LEU 663 HD12 LEU 663 25.349 17.542 -10.648 58 HD13 LEU 663 HD13 LEU 663 25.532 17.519 -12.401 59 HD21 LEU 663 HD21 LEU 663 27.974 16.069 -13.092 60 HD22 LEU 663 HD22 LEU 663 28.633 15.191 -11.711 61 HD23 LEU 663 HD23 LEU 663 28.594 16.955 -11.698 62 H ASP 664 HN ASP 664 24.792 14.138 -7.593 63 HA ASP 664 HA ASP 664 26.841 13.655 -5.638 64 HB2 ASP 664 HB2 ASP 664 23.832 13.307 -5.722 65 HB3 ASP 664 HB1 ASP 664 24.775 13.051 -4.252 66 H LYS 665 HN LYS 665 24.280 11.429 -6.821 67 HA LYS 665 HA LYS 665 25.347 9.065 -5.638 68 HB2 LYS 665 HB2 LYS 665 23.529 9.727 -7.945 69 HB3 LYS 665 HB1 LYS 665 23.966 8.048 -7.628 70 HG2 LYS 665 HG2 LYS 665 23.310 9.073 -5.109 71 HG3 LYS 665 HG1 LYS 665 22.104 9.770 -6.191 72 HD2 LYS 665 HD2 LYS 665 21.138 7.713 -5.595 73 HD3 LYS 665 HD1 LYS 665 21.902 7.352 -7.144 74 HE2 LYS 665 HE2 LYS 665 23.662 6.158 -6.146 75 HE3 LYS 665 HE1 LYS 665 23.435 6.952 -4.575 76 HZ1 LYS 665 HZ1 LYS 665 21.364 5.250 -5.844 77 HZ2 LYS 665 HZ2 LYS 665 21.392 5.835 -4.250 78 HZ3 LYS 665 HZ3 LYS 665 22.498 4.642 -4.739 79 H TRP 666 HN TRP 666 26.084 10.697 -8.688 80 HA TRP 666 HA TRP 666 27.774 8.500 -9.692 81 HB2 TRP 666 HB2 TRP 666 26.691 11.120 -10.562 82 HB3 TRP 666 HB1 TRP 666 28.239 10.665 -11.267 83 HD1 TRP 666 HD1 TRP 666 24.637 10.174 -11.727 84 HE1 TRP 666 HE1 TRP 666 24.178 8.219 -13.348 85 HE3 TRP 666 HE3 TRP 666 29.270 8.066 -11.878 86 HZ2 TRP 666 HZ2 TRP 666 25.602 6.043 -14.552 87 HZ3 TRP 666 HZ3 TRP 666 29.702 6.054 -13.266 88 HH2 TRP 666 HH2 TRP 666 27.873 5.042 -14.601 89 H ALA 667 HN ALA 667 28.160 11.303 -7.663 90 HA ALA 667 HA ALA 667 30.875 11.935 -8.306 91 HB1 ALA 667 HB1 ALA 667 29.023 12.350 -5.966 92 HB2 ALA 667 HB2 ALA 667 29.608 13.539 -7.129 93 HB3 ALA 667 HB3 ALA 667 30.694 12.908 -5.891 94 H SER 668 HN SER 668 29.474 9.634 -5.985 95 HA SER 668 HA SER 668 31.929 9.027 -4.625 96 HB2 SER 668 HB2 SER 668 30.594 6.903 -4.064 97 HB3 SER 668 HB1 SER 668 29.822 8.429 -3.645 98 HG SER 668 HG SER 668 28.258 7.562 -4.789 99 H LEU 669 HN LEU 669 30.806 8.206 -7.797 100 HA LEU 669 HA LEU 669 32.391 5.757 -8.072 101 HB2 LEU 669 HB2 LEU 669 30.738 7.609 -9.775 102 HB3 LEU 669 HB1 LEU 669 31.761 6.402 -10.544 103 HG LEU 669 HG LEU 669 30.544 4.980 -8.505 104 HD11 LEU 669 HD11 LEU 669 29.064 7.206 -8.530 105 HD12 LEU 669 HD12 LEU 669 28.355 5.617 -8.242 106 HD13 LEU 669 HD13 LEU 669 28.264 6.348 -9.845 107 HD21 LEU 669 HD21 LEU 669 30.208 5.254 -11.457 108 HD22 LEU 669 HD22 LEU 669 28.981 4.330 -10.590 109 HD23 LEU 669 HD23 LEU 669 30.675 3.843 -10.507 110 H TRP 670 HN TRP 670 32.691 9.180 -9.087 111 HA TRP 670 HA TRP 670 35.161 8.958 -10.503 112 HB2 TRP 670 HB2 TRP 670 33.394 10.918 -10.060 113 HB3 TRP 670 HB1 TRP 670 34.526 11.329 -8.771 114 HD1 TRP 670 HD1 TRP 670 33.971 11.762 -12.393 115 HE1 TRP 670 HE1 TRP 670 36.062 12.767 -13.517 116 HE3 TRP 670 HE3 TRP 670 37.364 11.196 -8.617 117 HZ2 TRP 670 HZ2 TRP 670 38.809 13.266 -12.898 118 HZ3 TRP 670 HZ3 TRP 670 39.708 11.944 -8.911 119 HH2 TRP 670 HH2 TRP 670 40.435 12.977 -11.045 120 H ALA 671 HN ALA 671 34.366 9.255 -7.066 121 HA ALA 671 HA ALA 671 37.090 9.561 -6.130 122 HB1 ALA 671 HB1 ALA 671 34.611 9.890 -5.087 123 HB2 ALA 671 HB2 ALA 671 36.037 9.651 -4.075 124 HB3 ALA 671 HB3 ALA 671 34.981 8.288 -4.448 125 H TRP 672 HN TRP 672 34.990 6.899 -6.982 126 HA TRP 672 HA TRP 672 36.276 4.769 -5.635 127 HB2 TRP 672 HB2 TRP 672 34.218 5.251 -7.589 128 HB3 TRP 672 HB1 TRP 672 35.200 3.894 -8.131 129 HD1 TRP 672 HD1 TRP 672 32.517 4.793 -5.697 130 HE1 TRP 672 HE1 TRP 672 32.027 2.780 -4.158 131 HE3 TRP 672 HE3 TRP 672 36.440 1.849 -6.908 132 HZ2 TRP 672 HZ2 TRP 672 33.186 0.225 -3.528 133 HZ3 TRP 672 HZ3 TRP 672 36.762 -0.374 -5.839 134 HH2 TRP 672 HH2 TRP 672 35.132 -1.190 -4.152 135 H PHE 673 HN PHE 673 36.706 5.814 -9.061 136 HA PHE 673 HA PHE 673 38.713 3.997 -9.792 137 HB2 PHE 673 HB2 PHE 673 37.848 6.738 -10.556 138 HB3 PHE 673 HB1 PHE 673 39.439 6.242 -11.130 139 HD1 PHE 673 HD2 PHE 673 39.656 4.059 -12.415 140 HD2 PHE 673 HD1 PHE 673 35.865 5.880 -11.542 141 HE1 PHE 673 HE2 PHE 673 38.591 2.689 -14.186 142 HE2 PHE 673 HE1 PHE 673 34.799 4.511 -13.313 143 HZ PHE 673 HZ PHE 673 36.161 2.915 -14.635 144 H ALA 674 HN ALA 674 39.133 7.194 -8.255 145 HA ALA 674 HA ALA 674 42.010 7.061 -8.091 146 HB1 ALA 674 HB1 ALA 674 41.683 9.029 -6.648 147 HB2 ALA 674 HB2 ALA 674 39.967 8.641 -6.508 148 HB3 ALA 674 HB3 ALA 674 40.642 9.110 -8.069 149 H ILE 675 HN ILE 675 40.108 4.900 -6.591 150 HA ILE 675 HA ILE 675 40.947 5.103 -3.814 151 HB ILE 675 HB ILE 675 39.864 2.906 -5.545 152 HG12 ILE 675 HG12 ILE 675 38.606 5.170 -4.900 153 HG13 ILE 675 HG11 ILE 675 37.750 3.638 -4.987 154 HG21 ILE 675 HG21 ILE 675 40.545 2.992 -2.640 155 HG22 ILE 675 HG22 ILE 675 40.690 1.656 -3.783 156 HG23 ILE 675 HG23 ILE 675 39.110 2.093 -3.134 157 HD11 ILE 675 HD11 ILE 675 37.377 5.079 -2.880 158 HD12 ILE 675 HD12 ILE 675 39.008 4.599 -2.417 159 HD13 ILE 675 HD13 ILE 675 37.757 3.375 -2.630 160 H THR 676 HN THR 676 43.270 5.465 -4.966 161 HA THR 676 HA THR 676 44.695 2.951 -5.517 162 HB THR 676 HB THR 676 44.901 5.781 -6.056 163 HG1 THR 676 HG1 THR 676 45.052 4.421 -7.710 164 HG21 THR 676 HG21 THR 676 47.292 6.113 -5.834 165 HG22 THR 676 HG22 THR 676 47.489 4.505 -5.143 166 HG23 THR 676 HG23 THR 676 46.616 5.752 -4.247 167 H ASN 677 HN ASN 677 43.561 3.336 -2.813 168 HA ASN 677 HA ASN 677 45.817 3.918 -1.024 169 HB2 ASN 677 HB2 ASN 677 42.916 3.279 -0.882 170 HB3 ASN 677 HB1 ASN 677 43.881 2.812 0.520 171 HD21 ASN 677 HD21 ASN 677 42.220 5.425 -0.880 172 HD22 ASN 677 HD22 ASN 677 42.923 6.676 0.027 173 H TRP 678 HN TRP 678 44.482 1.146 -2.643 174 HA TRP 678 HA TRP 678 45.513 -0.860 -0.797 175 HB2 TRP 678 HB2 TRP 678 44.865 -2.388 -2.647 176 HB3 TRP 678 HB1 TRP 678 43.587 -1.247 -2.260 177 HD1 TRP 678 HD1 TRP 678 42.856 0.446 -4.097 178 HE1 TRP 678 HE1 TRP 678 43.508 0.776 -6.571 179 HE3 TRP 678 HE3 TRP 678 46.936 -2.584 -4.330 180 HZ2 TRP 678 HZ2 TRP 678 45.506 -0.139 -8.410 181 HZ3 TRP 678 HZ3 TRP 678 48.201 -2.851 -6.449 182 HH2 TRP 678 HH2 TRP 678 47.490 -1.630 -8.488 183 H LEU 679 HN LEU 679 46.914 1.119 -3.176 184 HA LEU 679 HA LEU 679 48.999 -0.634 -4.147 185 HB2 LEU 679 HB2 LEU 679 48.443 2.290 -4.120 186 HB3 LEU 679 HB1 LEU 679 49.945 1.671 -4.798 187 HG LEU 679 HG LEU 679 47.686 0.110 -5.712 188 HD11 LEU 679 HD11 LEU 679 46.835 2.613 -5.265 189 HD12 LEU 679 HD12 LEU 679 46.279 1.652 -6.635 190 HD13 LEU 679 HD13 LEU 679 47.558 2.845 -6.855 191 HD21 LEU 679 HD21 LEU 679 49.509 1.934 -7.294 192 HD22 LEU 679 HD22 LEU 679 48.703 0.468 -7.850 193 HD23 LEU 679 HD23 LEU 679 50.028 0.361 -6.692 194 H TRP 680 HN TRP 680 48.684 1.516 -1.383 195 HA TRP 680 HA TRP 680 51.458 1.764 -0.702 196 HB2 TRP 680 HB2 TRP 680 49.017 2.680 0.217 197 HB3 TRP 680 HB1 TRP 680 49.514 1.594 1.513 198 HD1 TRP 680 HD1 TRP 680 50.214 4.949 0.018 199 HE1 TRP 680 HE1 TRP 680 52.113 6.112 1.319 200 HE3 TRP 680 HE3 TRP 680 51.837 1.046 2.880 201 HZ2 TRP 680 HZ2 TRP 680 54.062 5.469 3.312 202 HZ3 TRP 680 HZ3 TRP 680 53.714 1.348 4.470 203 HH2 TRP 680 HH2 TRP 680 54.827 3.552 4.690 204 H TYR 681 HN TYR 681 49.230 -0.916 -0.331 205 HA TYR 681 HA TYR 681 50.494 -2.310 1.800 206 HB2 TYR 681 HB2 TYR 681 48.333 -2.907 0.732 207 HB3 TYR 681 HB1 TYR 681 49.189 -3.349 -0.745 208 HD1 TYR 681 HD1 TYR 681 50.700 -5.314 -0.789 209 HD2 TYR 681 HD2 TYR 681 48.353 -4.343 2.676 210 HE1 TYR 681 HE1 TYR 681 51.099 -7.587 0.119 211 HE2 TYR 681 HE2 TYR 681 48.753 -6.617 3.583 212 HH TYR 681 HH TYR 681 50.127 -9.136 1.686 213 H ILE 682 HN ILE 682 51.477 -1.737 -1.501 214 HA ILE 682 HA ILE 682 53.707 -3.693 -1.234 215 HB ILE 682 HB ILE 682 53.230 -2.142 -3.724 216 HG12 ILE 682 HG12 ILE 682 51.314 -4.260 -2.686 217 HG13 ILE 682 HG11 ILE 682 50.918 -2.592 -3.090 218 HG21 ILE 682 HG21 ILE 682 53.575 -5.107 -3.259 219 HG22 ILE 682 HG22 ILE 682 54.933 -3.986 -3.360 220 HG23 ILE 682 HG23 ILE 682 53.868 -4.209 -4.748 221 HD11 ILE 682 HD11 ILE 682 51.821 -3.181 -5.456 222 HD12 ILE 682 HD12 ILE 682 50.224 -3.774 -5.000 223 HD13 ILE 682 HD13 ILE 682 51.614 -4.858 -4.948 224 H LYS 683 HN LYS 683 55.068 -2.424 0.104 225 HA LYS 683 HA LYS 683 55.977 0.211 -0.970 226 HB2 LYS 683 HB2 LYS 683 56.810 0.522 1.354 227 HB3 LYS 683 HB1 LYS 683 55.088 0.148 1.324 228 HG2 LYS 683 HG2 LYS 683 55.448 -2.094 2.018 229 HG3 LYS 683 HG1 LYS 683 57.172 -2.014 1.652 230 HD2 LYS 683 HD2 LYS 683 55.832 -0.316 3.774 231 HD3 LYS 683 HD1 LYS 683 56.626 -1.854 4.113 232 HE2 LYS 683 HE2 LYS 683 58.715 -0.884 3.002 233 HE3 LYS 683 HE1 LYS 683 57.894 0.688 3.056 234 HZ1 LYS 683 HZ1 LYS 683 58.430 -1.112 5.360 235 HZ2 LYS 683 HZ2 LYS 683 57.488 0.299 5.444 236 HZ3 LYS 683 HZ3 LYS 683 59.142 0.400 5.075 Start of MODEL 7 1 H1 GLU 657 HT1 GLU 657 11.194 17.392 -7.519 2 H2 GLU 657 HT2 GLU 657 11.933 16.752 -8.909 3 H3 GLU 657 HT3 GLU 657 12.713 17.966 -8.012 4 HA GLU 657 HA GLU 657 12.878 16.429 -6.104 5 HB2 GLU 657 HB2 GLU 657 10.823 15.218 -7.405 6 HB3 GLU 657 HB1 GLU 657 12.159 14.185 -7.914 7 HG2 GLU 657 HG2 GLU 657 12.539 13.392 -5.793 8 HG3 GLU 657 HG1 GLU 657 12.059 14.909 -5.029 9 H GLN 658 HN GLN 658 14.228 14.046 -6.650 10 HA GLN 658 HA GLN 658 16.411 14.960 -8.498 11 HB2 GLN 658 HB2 GLN 658 16.470 13.298 -5.957 12 HB3 GLN 658 HB1 GLN 658 17.884 13.693 -6.934 13 HG2 GLN 658 HG2 GLN 658 18.005 15.432 -5.428 14 HG3 GLN 658 HG1 GLN 658 16.926 16.174 -6.610 15 HE21 GLN 658 HE21 GLN 658 15.649 17.422 -5.137 16 HE22 GLN 658 HE22 GLN 658 14.673 16.719 -3.940 17 H GLU 659 HN GLU 659 16.863 13.582 -10.181 18 HA GLU 659 HA GLU 659 15.470 10.958 -10.274 19 HB2 GLU 659 HB2 GLU 659 17.001 12.560 -12.355 20 HB3 GLU 659 HB1 GLU 659 16.018 11.132 -12.678 21 HG2 GLU 659 HG2 GLU 659 14.007 12.277 -11.957 22 HG3 GLU 659 HG1 GLU 659 14.944 13.673 -11.423 23 H LEU 660 HN LEU 660 17.448 9.944 -12.242 24 HA LEU 660 HA LEU 660 19.462 8.953 -10.302 25 HB2 LEU 660 HB2 LEU 660 18.446 8.120 -13.019 26 HB3 LEU 660 HB1 LEU 660 19.857 7.358 -12.288 27 HG LEU 660 HG LEU 660 17.918 7.417 -10.251 28 HD11 LEU 660 HD11 LEU 660 16.199 7.888 -11.942 29 HD12 LEU 660 HD12 LEU 660 16.003 6.253 -11.312 30 HD13 LEU 660 HD13 LEU 660 16.741 6.507 -12.895 31 HD21 LEU 660 HD21 LEU 660 19.256 5.404 -11.987 32 HD22 LEU 660 HD22 LEU 660 17.826 4.856 -11.112 33 HD23 LEU 660 HD23 LEU 660 19.204 5.513 -10.228 34 H LEU 661 HN LEU 661 19.410 11.614 -11.995 35 HA LEU 661 HA LEU 661 22.044 11.315 -13.335 36 HB2 LEU 661 HB2 LEU 661 20.396 13.804 -13.441 37 HB3 LEU 661 HB1 LEU 661 21.349 13.046 -14.711 38 HG LEU 661 HG LEU 661 18.713 12.006 -13.640 39 HD11 LEU 661 HD11 LEU 661 19.442 13.317 -16.268 40 HD12 LEU 661 HD12 LEU 661 18.464 14.036 -14.989 41 HD13 LEU 661 HD13 LEU 661 17.867 12.631 -15.872 42 HD21 LEU 661 HD21 LEU 661 20.337 11.061 -16.017 43 HD22 LEU 661 HD22 LEU 661 18.884 10.315 -15.354 44 HD23 LEU 661 HD23 LEU 661 20.389 10.283 -14.436 45 H GLU 662 HN GLU 662 20.767 12.260 -10.447 46 HA GLU 662 HA GLU 662 22.174 14.664 -9.790 47 HB2 GLU 662 HB2 GLU 662 20.749 12.453 -8.427 48 HB3 GLU 662 HB1 GLU 662 21.901 13.331 -7.420 49 HG2 GLU 662 HG2 GLU 662 20.675 15.408 -8.677 50 HG3 GLU 662 HG1 GLU 662 19.346 14.250 -8.606 51 H LEU 663 HN LEU 663 24.266 14.998 -9.062 52 HA LEU 663 HA LEU 663 26.273 12.973 -9.527 53 HB2 LEU 663 HB2 LEU 663 26.166 15.743 -8.351 54 HB3 LEU 663 HB1 LEU 663 27.672 14.822 -8.347 55 HG LEU 663 HG LEU 663 26.179 14.879 -10.914 56 HD11 LEU 663 HD11 LEU 663 26.161 17.250 -9.800 57 HD12 LEU 663 HD12 LEU 663 26.673 17.091 -11.481 58 HD13 LEU 663 HD13 LEU 663 27.878 17.254 -10.204 59 HD21 LEU 663 HD21 LEU 663 28.498 13.830 -10.310 60 HD22 LEU 663 HD22 LEU 663 29.091 15.487 -10.431 61 HD23 LEU 663 HD23 LEU 663 28.339 14.714 -11.828 62 H ASP 664 HN ASP 664 24.319 13.766 -6.788 63 HA ASP 664 HA ASP 664 25.939 13.100 -4.586 64 HB2 ASP 664 HB2 ASP 664 23.011 12.575 -5.178 65 HB3 ASP 664 HB1 ASP 664 23.725 12.436 -3.571 66 H LYS 665 HN LYS 665 24.261 10.949 -6.869 67 HA LYS 665 HA LYS 665 25.170 8.555 -5.414 68 HB2 LYS 665 HB2 LYS 665 23.492 7.485 -6.547 69 HB3 LYS 665 HB1 LYS 665 22.873 9.138 -6.597 70 HG2 LYS 665 HG2 LYS 665 24.158 9.422 -8.728 71 HG3 LYS 665 HG1 LYS 665 24.431 7.687 -8.705 72 HD2 LYS 665 HD2 LYS 665 21.623 8.508 -8.286 73 HD3 LYS 665 HD1 LYS 665 22.265 8.860 -9.891 74 HE2 LYS 665 HE2 LYS 665 23.177 6.375 -9.736 75 HE3 LYS 665 HE1 LYS 665 21.856 6.200 -8.563 76 HZ1 LYS 665 HZ1 LYS 665 20.335 7.154 -10.166 77 HZ2 LYS 665 HZ2 LYS 665 21.091 5.788 -10.836 78 HZ3 LYS 665 HZ3 LYS 665 21.588 7.348 -11.292 79 H TRP 666 HN TRP 666 25.851 10.328 -8.357 80 HA TRP 666 HA TRP 666 27.640 8.240 -9.436 81 HB2 TRP 666 HB2 TRP 666 26.429 10.833 -10.224 82 HB3 TRP 666 HB1 TRP 666 27.968 10.427 -10.981 83 HD1 TRP 666 HD1 TRP 666 24.402 9.912 -11.451 84 HE1 TRP 666 HE1 TRP 666 23.946 7.919 -13.026 85 HE3 TRP 666 HE3 TRP 666 29.008 7.746 -11.446 86 HZ2 TRP 666 HZ2 TRP 666 25.366 5.686 -14.133 87 HZ3 TRP 666 HZ3 TRP 666 29.440 5.685 -12.765 88 HH2 TRP 666 HH2 TRP 666 27.625 4.654 -14.104 89 H ALA 667 HN ALA 667 27.907 10.998 -7.340 90 HA ALA 667 HA ALA 667 30.582 11.781 -7.993 91 HB1 ALA 667 HB1 ALA 667 28.851 11.982 -5.511 92 HB2 ALA 667 HB2 ALA 667 29.103 13.219 -6.743 93 HB3 ALA 667 HB3 ALA 667 30.417 12.781 -5.650 94 H SER 668 HN SER 668 29.289 9.338 -5.773 95 HA SER 668 HA SER 668 31.785 8.750 -4.459 96 HB2 SER 668 HB2 SER 668 30.496 6.603 -3.920 97 HB3 SER 668 HB1 SER 668 29.697 8.104 -3.464 98 HG SER 668 HG SER 668 28.289 6.699 -4.586 99 H LEU 669 HN LEU 669 30.637 8.069 -7.645 100 HA LEU 669 HA LEU 669 32.255 5.641 -8.022 101 HB2 LEU 669 HB2 LEU 669 30.465 7.461 -9.634 102 HB3 LEU 669 HB1 LEU 669 31.425 6.231 -10.430 103 HG LEU 669 HG LEU 669 28.908 5.838 -9.454 104 HD11 LEU 669 HD11 LEU 669 30.386 4.410 -10.971 105 HD12 LEU 669 HD12 LEU 669 29.277 3.530 -9.918 106 HD13 LEU 669 HD13 LEU 669 30.986 3.646 -9.500 107 HD21 LEU 669 HD21 LEU 669 29.075 4.413 -7.461 108 HD22 LEU 669 HD22 LEU 669 29.666 6.033 -7.105 109 HD23 LEU 669 HD23 LEU 669 30.808 4.715 -7.371 110 H TRP 670 HN TRP 670 32.293 9.052 -9.106 111 HA TRP 670 HA TRP 670 34.619 8.974 -10.718 112 HB2 TRP 670 HB2 TRP 670 33.147 10.906 -10.611 113 HB3 TRP 670 HB1 TRP 670 33.422 11.079 -8.881 114 HD1 TRP 670 HD1 TRP 670 35.709 12.098 -8.078 115 HE1 TRP 670 HE1 TRP 670 37.511 13.493 -9.289 116 HE3 TRP 670 HE3 TRP 670 34.345 11.272 -12.926 117 HZ2 TRP 670 HZ2 TRP 670 38.271 14.165 -11.967 118 HZ3 TRP 670 HZ3 TRP 670 35.622 12.298 -14.786 119 HH2 TRP 670 HH2 TRP 670 37.580 13.743 -14.313 120 H ALA 671 HN ALA 671 34.231 9.083 -7.218 121 HA ALA 671 HA ALA 671 37.028 9.576 -6.599 122 HB1 ALA 671 HB1 ALA 671 36.274 9.199 -4.347 123 HB2 ALA 671 HB2 ALA 671 34.892 8.257 -4.905 124 HB3 ALA 671 HB3 ALA 671 34.943 9.997 -5.184 125 H TRP 672 HN TRP 672 35.139 6.776 -7.431 126 HA TRP 672 HA TRP 672 36.493 4.694 -6.139 127 HB2 TRP 672 HB2 TRP 672 34.423 4.363 -7.284 128 HB3 TRP 672 HB1 TRP 672 35.083 4.977 -8.793 129 HD1 TRP 672 HD1 TRP 672 35.237 3.054 -10.404 130 HE1 TRP 672 HE1 TRP 672 36.116 0.621 -10.301 131 HE3 TRP 672 HE3 TRP 672 36.403 2.807 -5.494 132 HZ2 TRP 672 HZ2 TRP 672 37.188 -1.190 -8.338 133 HZ3 TRP 672 HZ3 TRP 672 37.355 0.734 -4.496 134 HH2 TRP 672 HH2 TRP 672 37.747 -1.264 -5.918 135 H PHE 673 HN PHE 673 37.149 5.906 -9.456 136 HA PHE 673 HA PHE 673 39.300 4.204 -10.062 137 HB2 PHE 673 HB2 PHE 673 38.336 6.904 -10.876 138 HB3 PHE 673 HB1 PHE 673 39.957 6.445 -11.397 139 HD1 PHE 673 HD2 PHE 673 40.065 3.842 -12.208 140 HD2 PHE 673 HD1 PHE 673 36.614 6.396 -12.351 141 HE1 PHE 673 HE2 PHE 673 39.092 2.425 -13.995 142 HE2 PHE 673 HE1 PHE 673 35.641 4.979 -14.138 143 HZ PHE 673 HZ PHE 673 36.879 2.994 -14.961 144 H ALA 674 HN ALA 674 39.457 7.420 -8.474 145 HA ALA 674 HA ALA 674 42.342 7.400 -8.222 146 HB1 ALA 674 HB1 ALA 674 41.102 9.450 -8.309 147 HB2 ALA 674 HB2 ALA 674 41.791 9.343 -6.690 148 HB3 ALA 674 HB3 ALA 674 40.089 8.962 -6.951 149 H ILE 675 HN ILE 675 40.449 5.218 -6.753 150 HA ILE 675 HA ILE 675 41.157 5.532 -3.948 151 HB ILE 675 HB ILE 675 40.226 3.224 -5.622 152 HG12 ILE 675 HG12 ILE 675 38.867 5.454 -5.337 153 HG13 ILE 675 HG11 ILE 675 38.043 3.910 -5.209 154 HG21 ILE 675 HG21 ILE 675 39.289 2.624 -3.195 155 HG22 ILE 675 HG22 ILE 675 40.714 3.540 -2.705 156 HG23 ILE 675 HG23 ILE 675 40.892 2.110 -3.722 157 HD11 ILE 675 HD11 ILE 675 37.567 5.657 -3.369 158 HD12 ILE 675 HD12 ILE 675 39.192 5.298 -2.784 159 HD13 ILE 675 HD13 ILE 675 37.971 4.025 -2.837 160 H THR 676 HN THR 676 43.532 5.884 -5.018 161 HA THR 676 HA THR 676 45.010 3.371 -5.405 162 HB THR 676 HB THR 676 45.206 6.186 -6.034 163 HG1 THR 676 HG1 THR 676 45.903 5.259 -7.754 164 HG21 THR 676 HG21 THR 676 47.587 6.546 -5.736 165 HG22 THR 676 HG22 THR 676 47.766 4.967 -4.975 166 HG23 THR 676 HG23 THR 676 46.850 6.241 -4.164 167 H ASN 677 HN ASN 677 43.750 3.832 -2.768 168 HA ASN 677 HA ASN 677 45.982 4.457 -0.943 169 HB2 ASN 677 HB2 ASN 677 44.214 4.156 0.765 170 HB3 ASN 677 HB1 ASN 677 43.676 5.235 -0.522 171 HD21 ASN 677 HD21 ASN 677 41.743 3.882 1.035 172 HD22 ASN 677 HD22 ASN 677 40.979 2.705 0.080 173 H TRP 678 HN TRP 678 44.677 1.690 -2.494 174 HA TRP 678 HA TRP 678 45.503 -0.228 -0.413 175 HB2 TRP 678 HB2 TRP 678 44.700 -1.859 -2.136 176 HB3 TRP 678 HB1 TRP 678 43.506 -0.639 -1.730 177 HD1 TRP 678 HD1 TRP 678 42.613 0.844 -3.637 178 HE1 TRP 678 HE1 TRP 678 43.144 1.065 -6.152 179 HE3 TRP 678 HE3 TRP 678 46.790 -2.048 -3.900 180 HZ2 TRP 678 HZ2 TRP 678 45.092 0.125 -8.030 181 HZ3 TRP 678 HZ3 TRP 678 47.971 -2.382 -6.057 182 HH2 TRP 678 HH2 TRP 678 47.126 -1.297 -8.123 183 H LEU 679 HN LEU 679 47.041 1.470 -2.861 184 HA LEU 679 HA LEU 679 48.824 -0.486 -3.958 185 HB2 LEU 679 HB2 LEU 679 48.649 2.466 -3.764 186 HB3 LEU 679 HB1 LEU 679 50.107 1.739 -4.431 187 HG LEU 679 HG LEU 679 47.669 0.510 -5.465 188 HD11 LEU 679 HD11 LEU 679 47.166 3.069 -5.023 189 HD12 LEU 679 HD12 LEU 679 46.649 2.287 -6.517 190 HD13 LEU 679 HD13 LEU 679 48.111 3.275 -6.497 191 HD21 LEU 679 HD21 LEU 679 50.012 1.927 -6.773 192 HD22 LEU 679 HD22 LEU 679 48.831 0.918 -7.610 193 HD23 LEU 679 HD23 LEU 679 49.921 0.201 -6.424 194 H TRP 680 HN TRP 680 49.036 1.523 -1.034 195 HA TRP 680 HA TRP 680 51.857 1.185 -0.568 196 HB2 TRP 680 HB2 TRP 680 49.841 1.242 1.659 197 HB3 TRP 680 HB1 TRP 680 51.414 2.014 1.590 198 HD1 TRP 680 HD1 TRP 680 51.236 3.709 -0.950 199 HE1 TRP 680 HE1 TRP 680 49.579 5.684 -1.119 200 HE3 TRP 680 HE3 TRP 680 47.895 2.301 2.606 201 HZ2 TRP 680 HZ2 TRP 680 47.135 6.547 0.122 202 HZ3 TRP 680 HZ3 TRP 680 45.907 3.707 3.108 203 HH2 TRP 680 HH2 TRP 680 45.524 5.824 1.869 204 H TYR 681 HN TYR 681 49.177 -1.029 -0.204 205 HA TYR 681 HA TYR 681 50.232 -2.761 1.766 206 HB2 TYR 681 HB2 TYR 681 47.961 -2.883 0.777 207 HB3 TYR 681 HB1 TYR 681 48.657 -3.378 -0.765 208 HD1 TYR 681 HD1 TYR 681 50.000 -5.542 -0.864 209 HD2 TYR 681 HD2 TYR 681 47.548 -4.467 2.494 210 HE1 TYR 681 HE1 TYR 681 49.996 -7.905 -0.111 211 HE2 TYR 681 HE2 TYR 681 47.544 -6.829 3.248 212 HH TYR 681 HH TYR 681 48.394 -9.368 1.333 213 H ILE 682 HN ILE 682 51.170 -2.190 -1.550 214 HA ILE 682 HA ILE 682 52.999 -4.540 -1.513 215 HB ILE 682 HB ILE 682 52.744 -2.758 -3.876 216 HG12 ILE 682 HG12 ILE 682 50.484 -4.539 -2.894 217 HG13 ILE 682 HG11 ILE 682 50.409 -2.796 -3.147 218 HG21 ILE 682 HG21 ILE 682 53.118 -4.738 -5.045 219 HG22 ILE 682 HG22 ILE 682 52.386 -5.733 -3.787 220 HG23 ILE 682 HG23 ILE 682 53.988 -5.038 -3.540 221 HD11 ILE 682 HD11 ILE 682 49.549 -3.410 -5.174 222 HD12 ILE 682 HD12 ILE 682 50.316 -4.997 -5.136 223 HD13 ILE 682 HD13 ILE 682 51.253 -3.576 -5.600 224 H LYS 683 HN LYS 683 54.623 -3.647 -0.167 225 HA LYS 683 HA LYS 683 55.798 -1.030 -0.581 226 HB2 LYS 683 HB2 LYS 683 57.466 -1.916 1.049 227 HB3 LYS 683 HB1 LYS 683 55.809 -2.204 1.575 228 HG2 LYS 683 HG2 LYS 683 55.957 -4.477 1.263 229 HG3 LYS 683 HG1 LYS 683 57.082 -4.327 -0.086 230 HD2 LYS 683 HD2 LYS 683 58.637 -3.351 1.894 231 HD3 LYS 683 HD1 LYS 683 57.631 -4.456 2.833 232 HE2 LYS 683 HE2 LYS 683 58.222 -6.313 1.329 233 HE3 LYS 683 HE1 LYS 683 59.200 -5.211 0.340 234 HZ1 LYS 683 HZ1 LYS 683 60.556 -4.699 2.238 235 HZ2 LYS 683 HZ2 LYS 683 60.522 -6.386 2.042 236 HZ3 LYS 683 HZ3 LYS 683 59.586 -5.651 3.253 Start of MODEL 8 1 H1 GLU 657 HT1 GLU 657 18.903 0.198 -7.086 2 H2 GLU 657 HT2 GLU 657 19.418 1.807 -7.259 3 H3 GLU 657 HT3 GLU 657 17.834 1.367 -7.688 4 HA GLU 657 HA GLU 657 17.502 0.708 -5.277 5 HB2 GLU 657 HB2 GLU 657 20.278 1.730 -5.433 6 HB3 GLU 657 HB1 GLU 657 19.350 2.301 -4.045 7 HG2 GLU 657 HG2 GLU 657 18.663 -0.261 -3.883 8 HG3 GLU 657 HG1 GLU 657 20.184 -0.485 -4.749 9 H GLN 658 HN GLN 658 18.591 3.583 -7.028 10 HA GLN 658 HA GLN 658 16.129 5.011 -6.365 11 HB2 GLN 658 HB2 GLN 658 18.029 5.067 -4.438 12 HB3 GLN 658 HB1 GLN 658 18.568 6.431 -5.418 13 HG2 GLN 658 HG2 GLN 658 17.056 7.554 -4.101 14 HG3 GLN 658 HG1 GLN 658 15.939 6.990 -5.345 15 HE21 GLN 658 HE21 GLN 658 17.156 6.250 -2.066 16 HE22 GLN 658 HE22 GLN 658 15.831 5.288 -1.617 17 H GLU 659 HN GLU 659 17.105 7.626 -6.851 18 HA GLU 659 HA GLU 659 17.259 7.710 -9.701 19 HB2 GLU 659 HB2 GLU 659 18.123 9.733 -7.615 20 HB3 GLU 659 HB1 GLU 659 17.741 10.096 -9.296 21 HG2 GLU 659 HG2 GLU 659 15.468 8.847 -8.669 22 HG3 GLU 659 HG1 GLU 659 15.905 9.385 -7.048 23 H LEU 660 HN LEU 660 18.996 6.362 -10.383 24 HA LEU 660 HA LEU 660 21.739 6.964 -9.461 25 HB2 LEU 660 HB2 LEU 660 20.288 4.837 -10.939 26 HB3 LEU 660 HB1 LEU 660 21.980 5.064 -11.384 27 HG LEU 660 HG LEU 660 21.015 4.718 -8.532 28 HD11 LEU 660 HD11 LEU 660 21.968 2.754 -10.606 29 HD12 LEU 660 HD12 LEU 660 20.617 2.609 -9.481 30 HD13 LEU 660 HD13 LEU 660 22.274 2.455 -8.894 31 HD21 LEU 660 HD21 LEU 660 23.088 5.786 -8.402 32 HD22 LEU 660 HD22 LEU 660 23.679 5.039 -9.886 33 HD23 LEU 660 HD23 LEU 660 23.572 4.090 -8.403 34 H LEU 661 HN LEU 661 19.901 8.663 -11.380 35 HA LEU 661 HA LEU 661 21.747 8.853 -13.696 36 HB2 LEU 661 HB2 LEU 661 19.207 10.412 -13.376 37 HB3 LEU 661 HB1 LEU 661 19.920 9.753 -14.842 38 HG LEU 661 HG LEU 661 18.591 8.152 -12.638 39 HD11 LEU 661 HD11 LEU 661 17.772 8.602 -15.517 40 HD12 LEU 661 HD12 LEU 661 17.082 9.464 -14.142 41 HD13 LEU 661 HD13 LEU 661 16.868 7.720 -14.286 42 HD21 LEU 661 HD21 LEU 661 18.862 6.405 -14.647 43 HD22 LEU 661 HD22 LEU 661 20.130 6.626 -13.442 44 HD23 LEU 661 HD23 LEU 661 20.256 7.422 -15.010 45 H GLU 662 HN GLU 662 21.150 10.280 -10.749 46 HA GLU 662 HA GLU 662 21.816 13.048 -11.443 47 HB2 GLU 662 HB2 GLU 662 21.359 11.442 -8.930 48 HB3 GLU 662 HB1 GLU 662 21.923 13.111 -8.845 49 HG2 GLU 662 HG2 GLU 662 19.904 13.458 -10.579 50 HG3 GLU 662 HG1 GLU 662 19.282 12.047 -9.721 51 H LEU 663 HN LEU 663 23.826 14.057 -11.102 52 HA LEU 663 HA LEU 663 26.209 12.495 -11.331 53 HB2 LEU 663 HB2 LEU 663 25.515 15.356 -10.705 54 HB3 LEU 663 HB1 LEU 663 27.198 14.825 -10.675 55 HG LEU 663 HG LEU 663 25.651 13.944 -13.037 56 HD11 LEU 663 HD11 LEU 663 24.751 16.217 -12.740 57 HD12 LEU 663 HD12 LEU 663 25.822 16.147 -14.139 58 HD13 LEU 663 HD13 LEU 663 26.391 16.856 -12.627 59 HD21 LEU 663 HD21 LEU 663 27.724 14.086 -14.067 60 HD22 LEU 663 HD22 LEU 663 28.237 13.867 -12.394 61 HD23 LEU 663 HD23 LEU 663 28.220 15.479 -13.107 62 H ASP 664 HN ASP 664 24.331 13.366 -8.568 63 HA ASP 664 HA ASP 664 26.385 13.404 -6.555 64 HB2 ASP 664 HB2 ASP 664 23.434 12.691 -6.482 65 HB3 ASP 664 HB1 ASP 664 24.417 13.027 -5.057 66 H LYS 665 HN LYS 665 24.016 10.815 -7.332 67 HA LYS 665 HA LYS 665 25.273 8.784 -5.769 68 HB2 LYS 665 HB2 LYS 665 23.249 9.030 -7.921 69 HB3 LYS 665 HB1 LYS 665 23.992 7.438 -7.768 70 HG2 LYS 665 HG2 LYS 665 23.372 8.473 -5.144 71 HG3 LYS 665 HG1 LYS 665 21.933 8.532 -6.161 72 HD2 LYS 665 HD2 LYS 665 23.485 6.042 -6.433 73 HD3 LYS 665 HD1 LYS 665 22.807 6.295 -4.825 74 HE2 LYS 665 HE2 LYS 665 20.565 6.636 -5.808 75 HE3 LYS 665 HE1 LYS 665 21.241 6.383 -7.430 76 HZ1 LYS 665 HZ1 LYS 665 22.142 4.234 -6.566 77 HZ2 LYS 665 HZ2 LYS 665 20.448 4.288 -6.679 78 HZ3 LYS 665 HZ3 LYS 665 21.208 4.459 -5.169 79 H TRP 666 HN TRP 666 25.884 9.966 -9.034 80 HA TRP 666 HA TRP 666 27.721 7.759 -9.718 81 HB2 TRP 666 HB2 TRP 666 26.442 10.124 -10.968 82 HB3 TRP 666 HB1 TRP 666 28.021 9.687 -11.612 83 HD1 TRP 666 HD1 TRP 666 24.471 8.863 -11.968 84 HE1 TRP 666 HE1 TRP 666 24.165 6.647 -13.256 85 HE3 TRP 666 HE3 TRP 666 29.245 7.099 -11.805 86 HZ2 TRP 666 HZ2 TRP 666 25.751 4.416 -14.103 87 HZ3 TRP 666 HZ3 TRP 666 29.831 4.928 -12.857 88 HH2 TRP 666 HH2 TRP 666 28.089 3.586 -14.005 89 H ALA 667 HN ALA 667 27.897 10.868 -8.158 90 HA ALA 667 HA ALA 667 30.559 11.591 -8.910 91 HB1 ALA 667 HB1 ALA 667 28.654 12.218 -6.665 92 HB2 ALA 667 HB2 ALA 667 29.196 13.265 -7.977 93 HB3 ALA 667 HB3 ALA 667 30.288 12.881 -6.645 94 H SER 668 HN SER 668 29.316 9.580 -6.256 95 HA SER 668 HA SER 668 31.795 9.344 -4.844 96 HB2 SER 668 HB2 SER 668 29.135 8.365 -4.726 97 HB3 SER 668 HB1 SER 668 30.225 6.997 -4.585 98 HG SER 668 HG SER 668 29.719 9.037 -2.842 99 H LEU 669 HN LEU 669 30.689 7.937 -7.812 100 HA LEU 669 HA LEU 669 32.449 5.608 -7.746 101 HB2 LEU 669 HB2 LEU 669 30.657 7.060 -9.672 102 HB3 LEU 669 HB1 LEU 669 31.772 5.845 -10.284 103 HG LEU 669 HG LEU 669 30.681 4.631 -8.046 104 HD11 LEU 669 HD11 LEU 669 29.021 6.694 -8.350 105 HD12 LEU 669 HD12 LEU 669 28.438 5.102 -7.864 106 HD13 LEU 669 HD13 LEU 669 28.302 5.617 -9.547 107 HD21 LEU 669 HD21 LEU 669 30.883 3.216 -9.847 108 HD22 LEU 669 HD22 LEU 669 30.359 4.444 -10.999 109 HD23 LEU 669 HD23 LEU 669 29.168 3.587 -10.021 110 H TRP 670 HN TRP 670 32.509 8.849 -9.254 111 HA TRP 670 HA TRP 670 34.975 8.600 -10.667 112 HB2 TRP 670 HB2 TRP 670 33.429 10.445 -11.026 113 HB3 TRP 670 HB1 TRP 670 33.526 10.916 -9.331 114 HD1 TRP 670 HD1 TRP 670 35.638 12.237 -8.523 115 HE1 TRP 670 HE1 TRP 670 37.517 13.477 -9.785 116 HE3 TRP 670 HE3 TRP 670 34.905 10.392 -13.226 117 HZ2 TRP 670 HZ2 TRP 670 38.567 13.659 -12.441 118 HZ3 TRP 670 HZ3 TRP 670 36.355 11.113 -15.101 119 HH2 TRP 670 HH2 TRP 670 38.184 12.742 -14.715 120 H ALA 671 HN ALA 671 34.196 9.354 -7.291 121 HA ALA 671 HA ALA 671 36.898 10.010 -6.481 122 HB1 ALA 671 HB1 ALA 671 34.394 10.270 -5.443 123 HB2 ALA 671 HB2 ALA 671 35.856 10.371 -4.461 124 HB3 ALA 671 HB3 ALA 671 34.954 8.858 -4.547 125 H TRP 672 HN TRP 672 35.027 7.082 -6.864 126 HA TRP 672 HA TRP 672 36.517 5.317 -5.218 127 HB2 TRP 672 HB2 TRP 672 34.386 5.290 -7.149 128 HB3 TRP 672 HB1 TRP 672 35.478 3.951 -7.496 129 HD1 TRP 672 HD1 TRP 672 33.051 5.242 -4.864 130 HE1 TRP 672 HE1 TRP 672 32.680 3.395 -3.101 131 HE3 TRP 672 HE3 TRP 672 36.572 1.924 -6.366 132 HZ2 TRP 672 HZ2 TRP 672 33.761 0.823 -2.421 133 HZ3 TRP 672 HZ3 TRP 672 36.910 -0.218 -5.153 134 HH2 TRP 672 HH2 TRP 672 35.502 -0.775 -3.188 135 H PHE 673 HN PHE 673 36.827 5.850 -8.779 136 HA PHE 673 HA PHE 673 38.894 4.081 -9.338 137 HB2 PHE 673 HB2 PHE 673 37.947 6.704 -10.334 138 HB3 PHE 673 HB1 PHE 673 39.594 6.288 -10.808 139 HD1 PHE 673 HD1 PHE 673 36.292 4.527 -10.441 140 HD2 PHE 673 HD2 PHE 673 39.805 5.164 -12.830 141 HE1 PHE 673 HE1 PHE 673 35.406 2.971 -12.159 142 HE2 PHE 673 HE2 PHE 673 38.919 3.609 -14.547 143 HZ PHE 673 HZ PHE 673 36.721 2.513 -14.212 144 H ALA 674 HN ALA 674 39.267 7.402 -8.088 145 HA ALA 674 HA ALA 674 42.129 7.361 -7.869 146 HB1 ALA 674 HB1 ALA 674 39.970 8.931 -6.440 147 HB2 ALA 674 HB2 ALA 674 40.789 9.387 -7.934 148 HB3 ALA 674 HB3 ALA 674 41.684 9.347 -6.414 149 H ILE 675 HN ILE 675 40.289 5.201 -6.285 150 HA ILE 675 HA ILE 675 41.160 5.532 -3.520 151 HB ILE 675 HB ILE 675 40.006 3.299 -5.155 152 HG12 ILE 675 HG12 ILE 675 38.810 5.603 -4.411 153 HG13 ILE 675 HG11 ILE 675 37.935 4.088 -4.577 154 HG21 ILE 675 HG21 ILE 675 39.357 2.489 -2.723 155 HG22 ILE 675 HG22 ILE 675 40.793 3.410 -2.273 156 HG23 ILE 675 HG23 ILE 675 40.923 2.072 -3.413 157 HD11 ILE 675 HD11 ILE 675 39.198 4.968 -1.972 158 HD12 ILE 675 HD12 ILE 675 38.027 3.672 -2.220 159 HD13 ILE 675 HD13 ILE 675 37.533 5.355 -2.404 160 H THR 676 HN THR 676 43.459 5.837 -4.743 161 HA THR 676 HA THR 676 44.851 3.286 -5.224 162 HB THR 676 HB THR 676 46.739 5.293 -5.226 163 HG1 THR 676 HG1 THR 676 44.425 6.455 -6.331 164 HG21 THR 676 HG21 THR 676 45.312 5.265 -7.732 165 HG22 THR 676 HG22 THR 676 45.383 3.636 -7.061 166 HG23 THR 676 HG23 THR 676 46.871 4.543 -7.334 167 H ASN 677 HN ASN 677 43.809 3.736 -2.520 168 HA ASN 677 HA ASN 677 46.200 4.296 -0.871 169 HB2 ASN 677 HB2 ASN 677 43.553 4.818 -0.587 170 HB3 ASN 677 HB1 ASN 677 43.653 3.288 0.285 171 HD21 ASN 677 HD21 ASN 677 45.706 6.259 0.035 172 HD22 ASN 677 HD22 ASN 677 45.954 6.398 1.708 173 H TRP 678 HN TRP 678 44.861 1.641 -2.492 174 HA TRP 678 HA TRP 678 45.658 -0.342 -0.423 175 HB2 TRP 678 HB2 TRP 678 44.617 -1.922 -2.023 176 HB3 TRP 678 HB1 TRP 678 43.538 -0.595 -1.630 177 HD1 TRP 678 HD1 TRP 678 42.733 0.917 -3.558 178 HE1 TRP 678 HE1 TRP 678 43.163 0.973 -6.102 179 HE3 TRP 678 HE3 TRP 678 46.551 -2.426 -3.860 180 HZ2 TRP 678 HZ2 TRP 678 44.908 -0.258 -8.015 181 HZ3 TRP 678 HZ3 TRP 678 47.586 -2.983 -6.047 182 HH2 TRP 678 HH2 TRP 678 46.767 -1.900 -8.124 183 H LEU 679 HN LEU 679 47.064 1.284 -3.013 184 HA LEU 679 HA LEU 679 48.741 -0.804 -4.106 185 HB2 LEU 679 HB2 LEU 679 48.630 2.169 -4.184 186 HB3 LEU 679 HB1 LEU 679 49.929 1.297 -4.991 187 HG LEU 679 HG LEU 679 47.394 0.047 -5.559 188 HD11 LEU 679 HD11 LEU 679 46.913 2.645 -5.103 189 HD12 LEU 679 HD12 LEU 679 46.072 1.727 -6.352 190 HD13 LEU 679 HD13 LEU 679 47.445 2.747 -6.782 191 HD21 LEU 679 HD21 LEU 679 48.964 -0.398 -7.171 192 HD22 LEU 679 HD22 LEU 679 49.743 1.173 -6.989 193 HD23 LEU 679 HD23 LEU 679 48.255 1.031 -7.924 194 H TRP 680 HN TRP 680 49.071 1.489 -1.454 195 HA TRP 680 HA TRP 680 51.907 1.324 -1.081 196 HB2 TRP 680 HB2 TRP 680 49.770 2.651 0.037 197 HB3 TRP 680 HB1 TRP 680 50.196 1.524 1.323 198 HD1 TRP 680 HD1 TRP 680 51.342 4.644 -0.407 199 HE1 TRP 680 HE1 TRP 680 53.512 5.503 0.694 200 HE3 TRP 680 HE3 TRP 680 52.460 0.651 2.570 201 HZ2 TRP 680 HZ2 TRP 680 55.462 4.611 2.588 202 HZ3 TRP 680 HZ3 TRP 680 54.476 0.680 4.011 203 HH2 TRP 680 HH2 TRP 680 55.978 2.653 4.024 204 H TYR 681 HN TYR 681 49.343 -0.941 -0.301 205 HA TYR 681 HA TYR 681 50.721 -2.461 1.702 206 HB2 TYR 681 HB2 TYR 681 48.309 -2.641 1.144 207 HB3 TYR 681 HB1 TYR 681 48.726 -3.289 -0.442 208 HD1 TYR 681 HD2 TYR 681 49.931 -5.493 -0.608 209 HD2 TYR 681 HD1 TYR 681 48.319 -4.024 3.093 210 HE1 TYR 681 HE2 TYR 681 50.067 -7.774 0.357 211 HE2 TYR 681 HE1 TYR 681 48.455 -6.304 4.057 212 HH TYR 681 HH TYR 681 48.903 -9.059 2.204 213 H ILE 682 HN ILE 682 51.032 -2.259 -1.787 214 HA ILE 682 HA ILE 682 52.879 -4.593 -1.787 215 HB ILE 682 HB ILE 682 52.173 -3.120 -4.268 216 HG12 ILE 682 HG12 ILE 682 50.160 -4.757 -2.684 217 HG13 ILE 682 HG11 ILE 682 50.007 -3.061 -3.135 218 HG21 ILE 682 HG21 ILE 682 52.399 -5.219 -5.233 219 HG22 ILE 682 HG22 ILE 682 51.878 -6.058 -3.772 220 HG23 ILE 682 HG23 ILE 682 53.494 -5.356 -3.857 221 HD11 ILE 682 HD11 ILE 682 48.715 -4.159 -4.764 222 HD12 ILE 682 HD12 ILE 682 49.861 -5.491 -4.908 223 HD13 ILE 682 HD13 ILE 682 50.258 -3.909 -5.578 224 H LYS 683 HN LYS 683 54.697 -3.533 -0.872 225 HA LYS 683 HA LYS 683 55.810 -1.184 -2.338 226 HB2 LYS 683 HB2 LYS 683 57.203 -0.968 -0.288 227 HB3 LYS 683 HB1 LYS 683 55.482 -0.994 0.093 228 HG2 LYS 683 HG2 LYS 683 56.604 -3.685 0.019 229 HG3 LYS 683 HG1 LYS 683 57.440 -2.664 1.188 230 HD2 LYS 683 HD2 LYS 683 54.984 -1.950 1.856 231 HD3 LYS 683 HD1 LYS 683 54.561 -3.496 1.120 232 HE2 LYS 683 HE2 LYS 683 56.539 -4.423 2.605 233 HE3 LYS 683 HE1 LYS 683 56.223 -2.964 3.566 234 HZ1 LYS 683 HZ1 LYS 683 53.959 -3.546 3.799 235 HZ2 LYS 683 HZ2 LYS 683 54.835 -4.954 4.165 236 HZ3 LYS 683 HZ3 LYS 683 54.074 -4.793 2.655 Start of MODEL 9 1 H1 GLU 657 HT1 GLU 657 17.524 9.976 -1.891 2 H2 GLU 657 HT2 GLU 657 18.988 10.378 -2.654 3 H3 GLU 657 HT3 GLU 657 18.710 10.847 -1.045 4 HA GLU 657 HA GLU 657 20.147 8.989 -0.908 5 HB2 GLU 657 HB2 GLU 657 17.235 8.715 -0.309 6 HB3 GLU 657 HB1 GLU 657 18.239 7.281 -0.092 7 HG2 GLU 657 HG2 GLU 657 18.642 8.176 1.966 8 HG3 GLU 657 HG1 GLU 657 19.804 9.174 1.092 9 H GLN 658 HN GLN 658 17.324 8.291 -2.983 10 HA GLN 658 HA GLN 658 18.887 6.057 -4.233 11 HB2 GLN 658 HB2 GLN 658 16.618 5.214 -4.852 12 HB3 GLN 658 HB1 GLN 658 16.809 5.400 -3.108 13 HG2 GLN 658 HG2 GLN 658 15.813 7.810 -4.500 14 HG3 GLN 658 HG1 GLN 658 14.716 6.429 -4.542 15 HE21 GLN 658 HE21 GLN 658 15.078 5.229 -2.077 16 HE22 GLN 658 HE22 GLN 658 14.701 6.311 -0.825 17 H GLU 659 HN GLU 659 18.929 9.033 -4.881 18 HA GLU 659 HA GLU 659 17.708 9.076 -7.592 19 HB2 GLU 659 HB2 GLU 659 19.134 11.178 -5.935 20 HB3 GLU 659 HB1 GLU 659 18.275 11.478 -7.444 21 HG2 GLU 659 HG2 GLU 659 16.173 10.727 -6.428 22 HG3 GLU 659 HG1 GLU 659 17.015 10.351 -4.925 23 H LEU 660 HN LEU 660 19.084 7.921 -8.941 24 HA LEU 660 HA LEU 660 22.007 8.277 -8.770 25 HB2 LEU 660 HB2 LEU 660 20.035 6.458 -10.019 26 HB3 LEU 660 HB1 LEU 660 21.510 6.711 -10.954 27 HG LEU 660 HG LEU 660 21.530 5.994 -8.015 28 HD11 LEU 660 HD11 LEU 660 20.492 4.133 -9.118 29 HD12 LEU 660 HD12 LEU 660 22.185 3.697 -8.890 30 HD13 LEU 660 HD13 LEU 660 21.616 4.228 -10.473 31 HD21 LEU 660 HD21 LEU 660 23.570 7.060 -8.890 32 HD22 LEU 660 HD22 LEU 660 23.627 5.892 -10.209 33 HD23 LEU 660 HD23 LEU 660 23.872 5.356 -8.546 34 H LEU 661 HN LEU 661 19.864 10.334 -9.851 35 HA LEU 661 HA LEU 661 21.068 10.818 -12.523 36 HB2 LEU 661 HB2 LEU 661 18.779 12.360 -11.344 37 HB3 LEU 661 HB1 LEU 661 19.069 11.926 -13.024 38 HG LEU 661 HG LEU 661 18.250 10.012 -10.820 39 HD11 LEU 661 HD11 LEU 661 16.558 11.696 -11.811 40 HD12 LEU 661 HD12 LEU 661 16.110 9.990 -11.804 41 HD13 LEU 661 HD13 LEU 661 16.688 10.745 -13.290 42 HD21 LEU 661 HD21 LEU 661 18.816 8.312 -12.198 43 HD22 LEU 661 HD22 LEU 661 19.677 9.494 -13.183 44 HD23 LEU 661 HD23 LEU 661 18.008 9.076 -13.568 45 H GLU 662 HN GLU 662 21.293 11.804 -9.348 46 HA GLU 662 HA GLU 662 22.122 14.591 -9.953 47 HB2 GLU 662 HB2 GLU 662 21.613 12.944 -7.471 48 HB3 GLU 662 HB1 GLU 662 22.348 14.545 -7.376 49 HG2 GLU 662 HG2 GLU 662 20.283 15.155 -8.971 50 HG3 GLU 662 HG1 GLU 662 19.568 13.777 -8.135 51 H LEU 663 HN LEU 663 24.252 15.353 -9.286 52 HA LEU 663 HA LEU 663 26.419 13.587 -9.954 53 HB2 LEU 663 HB2 LEU 663 26.109 16.337 -8.766 54 HB3 LEU 663 HB1 LEU 663 27.710 15.614 -8.941 55 HG LEU 663 HG LEU 663 25.965 15.409 -11.324 56 HD11 LEU 663 HD11 LEU 663 27.155 18.062 -10.470 57 HD12 LEU 663 HD12 LEU 663 25.432 17.687 -10.500 58 HD13 LEU 663 HD13 LEU 663 26.351 17.729 -12.004 59 HD21 LEU 663 HD21 LEU 663 28.708 16.590 -11.307 60 HD22 LEU 663 HD22 LEU 663 27.992 15.433 -12.431 61 HD23 LEU 663 HD23 LEU 663 28.553 14.894 -10.848 62 H ASP 664 HN ASP 664 24.695 14.066 -7.013 63 HA ASP 664 HA ASP 664 26.766 13.560 -5.090 64 HB2 ASP 664 HB2 ASP 664 24.140 14.272 -5.062 65 HB3 ASP 664 HB1 ASP 664 24.010 12.577 -4.588 66 H LYS 665 HN LYS 665 24.223 11.323 -6.284 67 HA LYS 665 HA LYS 665 25.357 8.949 -5.189 68 HB2 LYS 665 HB2 LYS 665 23.510 9.593 -7.491 69 HB3 LYS 665 HB1 LYS 665 23.919 7.925 -7.089 70 HG2 LYS 665 HG2 LYS 665 23.292 8.822 -4.624 71 HG3 LYS 665 HG1 LYS 665 22.263 9.885 -5.584 72 HD2 LYS 665 HD2 LYS 665 20.819 8.111 -5.437 73 HD3 LYS 665 HD1 LYS 665 21.749 7.546 -6.824 74 HE2 LYS 665 HE2 LYS 665 22.438 6.852 -3.948 75 HE3 LYS 665 HE1 LYS 665 21.510 5.796 -5.031 76 HZ1 LYS 665 HZ1 LYS 665 23.785 5.200 -5.268 77 HZ2 LYS 665 HZ2 LYS 665 24.267 6.820 -5.435 78 HZ3 LYS 665 HZ3 LYS 665 23.363 6.069 -6.662 79 H TRP 666 HN TRP 666 25.963 10.646 -8.244 80 HA TRP 666 HA TRP 666 27.667 8.508 -9.336 81 HB2 TRP 666 HB2 TRP 666 26.555 11.150 -10.099 82 HB3 TRP 666 HB1 TRP 666 28.080 10.710 -10.861 83 HD1 TRP 666 HD1 TRP 666 24.549 10.403 -11.452 84 HE1 TRP 666 HE1 TRP 666 24.006 8.422 -13.017 85 HE3 TRP 666 HE3 TRP 666 28.972 7.894 -11.232 86 HZ2 TRP 666 HZ2 TRP 666 25.295 6.074 -14.040 87 HZ3 TRP 666 HZ3 TRP 666 29.299 5.788 -12.506 88 HH2 TRP 666 HH2 TRP 666 27.467 4.877 -13.907 89 H ALA 667 HN ALA 667 28.079 11.290 -7.273 90 HA ALA 667 HA ALA 667 30.783 11.932 -7.941 91 HB1 ALA 667 HB1 ALA 667 30.464 12.582 -5.280 92 HB2 ALA 667 HB2 ALA 667 28.793 12.470 -5.833 93 HB3 ALA 667 HB3 ALA 667 29.911 13.580 -6.625 94 H SER 668 HN SER 668 29.413 9.572 -5.673 95 HA SER 668 HA SER 668 31.905 8.893 -4.394 96 HB2 SER 668 HB2 SER 668 30.564 6.882 -3.698 97 HB3 SER 668 HB1 SER 668 29.718 8.402 -3.424 98 HG SER 668 HG SER 668 28.221 7.586 -4.641 99 H LEU 669 HN LEU 669 30.660 8.208 -7.543 100 HA LEU 669 HA LEU 669 32.176 5.711 -7.904 101 HB2 LEU 669 HB2 LEU 669 30.407 7.555 -9.514 102 HB3 LEU 669 HB1 LEU 669 31.296 6.268 -10.300 103 HG LEU 669 HG LEU 669 28.792 6.010 -9.218 104 HD11 LEU 669 HD11 LEU 669 28.974 3.809 -9.897 105 HD12 LEU 669 HD12 LEU 669 30.579 3.614 -9.196 106 HD13 LEU 669 HD13 LEU 669 30.380 4.495 -10.711 107 HD21 LEU 669 HD21 LEU 669 28.994 4.587 -7.222 108 HD22 LEU 669 HD22 LEU 669 29.662 6.185 -6.906 109 HD23 LEU 669 HD23 LEU 669 30.739 4.824 -7.213 110 H TRP 670 HN TRP 670 32.302 9.092 -9.071 111 HA TRP 670 HA TRP 670 34.578 8.896 -10.742 112 HB2 TRP 670 HB2 TRP 670 33.185 10.883 -10.641 113 HB3 TRP 670 HB1 TRP 670 33.509 11.082 -8.921 114 HD1 TRP 670 HD1 TRP 670 35.913 11.945 -8.203 115 HE1 TRP 670 HE1 TRP 670 37.711 13.277 -9.487 116 HE3 TRP 670 HE3 TRP 670 34.253 11.275 -12.983 117 HZ2 TRP 670 HZ2 TRP 670 38.356 13.966 -12.189 118 HZ3 TRP 670 HZ3 TRP 670 35.475 12.278 -14.891 119 HH2 TRP 670 HH2 TRP 670 37.523 13.621 -14.502 120 H ALA 671 HN ALA 671 34.298 9.083 -7.234 121 HA ALA 671 HA ALA 671 37.129 9.494 -6.710 122 HB1 ALA 671 HB1 ALA 671 34.767 8.505 -5.085 123 HB2 ALA 671 HB2 ALA 671 35.418 10.143 -5.118 124 HB3 ALA 671 HB3 ALA 671 36.354 8.837 -4.392 125 H TRP 672 HN TRP 672 35.131 6.749 -7.442 126 HA TRP 672 HA TRP 672 36.441 4.642 -6.144 127 HB2 TRP 672 HB2 TRP 672 34.333 4.377 -7.241 128 HB3 TRP 672 HB1 TRP 672 34.989 4.927 -8.775 129 HD1 TRP 672 HD1 TRP 672 35.020 2.964 -10.339 130 HE1 TRP 672 HE1 TRP 672 35.797 0.497 -10.198 131 HE3 TRP 672 HE3 TRP 672 36.288 2.778 -5.452 132 HZ2 TRP 672 HZ2 TRP 672 36.833 -1.313 -8.216 133 HZ3 TRP 672 HZ3 TRP 672 37.170 0.688 -4.426 134 HH2 TRP 672 HH2 TRP 672 37.442 -1.357 -5.808 135 H PHE 673 HN PHE 673 37.072 5.788 -9.491 136 HA PHE 673 HA PHE 673 39.152 3.998 -10.106 137 HB2 PHE 673 HB2 PHE 673 38.191 6.660 -10.980 138 HB3 PHE 673 HB1 PHE 673 39.847 6.269 -11.443 139 HD1 PHE 673 HD2 PHE 673 40.310 4.132 -12.706 140 HD2 PHE 673 HD1 PHE 673 36.330 5.602 -12.031 141 HE1 PHE 673 HE2 PHE 673 39.460 2.662 -14.514 142 HE2 PHE 673 HE1 PHE 673 35.481 4.132 -13.839 143 HZ PHE 673 HZ PHE 673 37.046 2.663 -15.081 144 H ALA 674 HN ALA 674 39.442 7.236 -8.580 145 HA ALA 674 HA ALA 674 42.333 7.108 -8.368 146 HB1 ALA 674 HB1 ALA 674 40.980 9.167 -8.510 147 HB2 ALA 674 HB2 ALA 674 41.983 9.161 -7.060 148 HB3 ALA 674 HB3 ALA 674 40.262 8.796 -6.942 149 H ILE 675 HN ILE 675 40.365 5.054 -6.823 150 HA ILE 675 HA ILE 675 41.065 5.398 -4.030 151 HB ILE 675 HB ILE 675 40.148 3.074 -5.682 152 HG12 ILE 675 HG12 ILE 675 38.786 5.299 -5.422 153 HG13 ILE 675 HG11 ILE 675 37.962 3.759 -5.269 154 HG21 ILE 675 HG21 ILE 675 40.630 3.402 -2.766 155 HG22 ILE 675 HG22 ILE 675 40.803 1.967 -3.775 156 HG23 ILE 675 HG23 ILE 675 39.203 2.489 -3.251 157 HD11 ILE 675 HD11 ILE 675 37.479 5.519 -3.454 158 HD12 ILE 675 HD12 ILE 675 39.112 5.199 -2.874 159 HD13 ILE 675 HD13 ILE 675 37.915 3.904 -2.892 160 H THR 676 HN THR 676 43.444 5.756 -4.911 161 HA THR 676 HA THR 676 44.963 3.276 -5.361 162 HB THR 676 HB THR 676 46.832 5.168 -5.074 163 HG1 THR 676 HG1 THR 676 45.201 6.668 -4.344 164 HG21 THR 676 HG21 THR 676 46.887 5.156 -7.356 165 HG22 THR 676 HG22 THR 676 45.168 5.524 -7.502 166 HG23 THR 676 HG23 THR 676 45.690 3.878 -7.144 167 H ASN 677 HN ASN 677 43.517 3.531 -2.817 168 HA ASN 677 HA ASN 677 45.558 4.043 -0.762 169 HB2 ASN 677 HB2 ASN 677 42.662 3.169 -0.843 170 HB3 ASN 677 HB1 ASN 677 43.573 3.189 0.667 171 HD21 ASN 677 HD21 ASN 677 42.747 5.034 1.722 172 HD22 ASN 677 HD22 ASN 677 42.725 6.589 1.040 173 H TRP 678 HN TRP 678 44.762 1.496 -2.839 174 HA TRP 678 HA TRP 678 45.437 -0.654 -0.895 175 HB2 TRP 678 HB2 TRP 678 44.867 -2.103 -2.839 176 HB3 TRP 678 HB1 TRP 678 43.582 -0.976 -2.445 177 HD1 TRP 678 HD1 TRP 678 42.859 0.714 -4.257 178 HE1 TRP 678 HE1 TRP 678 43.622 1.193 -6.675 179 HE3 TRP 678 HE3 TRP 678 47.082 -2.117 -4.409 180 HZ2 TRP 678 HZ2 TRP 678 45.753 0.456 -8.443 181 HZ3 TRP 678 HZ3 TRP 678 48.467 -2.226 -6.466 182 HH2 TRP 678 HH2 TRP 678 47.806 -0.941 -8.483 183 H LEU 679 HN LEU 679 47.042 1.407 -3.018 184 HA LEU 679 HA LEU 679 49.087 -0.341 -4.064 185 HB2 LEU 679 HB2 LEU 679 48.666 2.586 -3.735 186 HB3 LEU 679 HB1 LEU 679 50.181 1.974 -4.389 187 HG LEU 679 HG LEU 679 47.937 0.623 -5.607 188 HD11 LEU 679 HD11 LEU 679 47.932 3.458 -6.455 189 HD12 LEU 679 HD12 LEU 679 47.150 3.105 -4.914 190 HD13 LEU 679 HD13 LEU 679 46.608 2.296 -6.383 191 HD21 LEU 679 HD21 LEU 679 49.050 1.719 -7.666 192 HD22 LEU 679 HD22 LEU 679 50.032 0.606 -6.714 193 HD23 LEU 679 HD23 LEU 679 50.240 2.346 -6.526 194 H TRP 680 HN TRP 680 48.733 1.468 -1.067 195 HA TRP 680 HA TRP 680 51.488 1.467 -0.257 196 HB2 TRP 680 HB2 TRP 680 50.592 2.137 1.843 197 HB3 TRP 680 HB1 TRP 680 49.415 2.722 0.675 198 HD1 TRP 680 HD1 TRP 680 47.766 0.225 0.074 199 HE1 TRP 680 HE1 TRP 680 46.294 -0.898 1.870 200 HE3 TRP 680 HE3 TRP 680 50.035 1.991 4.282 201 HZ2 TRP 680 HZ2 TRP 680 46.109 -1.026 4.722 202 HZ3 TRP 680 HZ3 TRP 680 49.195 1.356 6.526 203 HH2 TRP 680 HH2 TRP 680 47.237 -0.149 6.751 204 H TYR 681 HN TYR 681 49.155 -1.117 -0.394 205 HA TYR 681 HA TYR 681 50.171 -2.832 1.630 206 HB2 TYR 681 HB2 TYR 681 48.105 -3.207 0.313 207 HB3 TYR 681 HB1 TYR 681 49.072 -3.459 -1.140 208 HD1 TYR 681 HD2 TYR 681 50.759 -5.377 -1.163 209 HD2 TYR 681 HD1 TYR 681 47.700 -4.983 1.827 210 HE1 TYR 681 HE2 TYR 681 51.026 -7.771 -0.576 211 HE2 TYR 681 HE1 TYR 681 47.966 -7.377 2.414 212 HH TYR 681 HH TYR 681 49.745 -9.560 0.468 213 H ILE 682 HN ILE 682 51.486 -1.856 -1.450 214 HA ILE 682 HA ILE 682 53.613 -3.931 -1.270 215 HB ILE 682 HB ILE 682 53.452 -1.997 -3.522 216 HG12 ILE 682 HG12 ILE 682 51.371 -4.157 -3.028 217 HG13 ILE 682 HG11 ILE 682 51.071 -2.428 -3.189 218 HG21 ILE 682 HG21 ILE 682 54.337 -3.768 -4.727 219 HG22 ILE 682 HG22 ILE 682 53.532 -4.981 -3.731 220 HG23 ILE 682 HG23 ILE 682 54.947 -4.130 -3.113 221 HD11 ILE 682 HD11 ILE 682 52.216 -2.690 -5.520 222 HD12 ILE 682 HD12 ILE 682 50.547 -3.229 -5.329 223 HD13 ILE 682 HD13 ILE 682 51.861 -4.405 -5.315 224 H LYS 683 HN LYS 683 54.860 -2.948 0.377 225 HA LYS 683 HA LYS 683 55.827 -0.173 0.030 226 HB2 LYS 683 HB2 LYS 683 55.157 -1.790 2.175 227 HB3 LYS 683 HB1 LYS 683 56.920 -1.831 2.200 228 HG2 LYS 683 HG2 LYS 683 56.986 0.633 2.168 229 HG3 LYS 683 HG1 LYS 683 55.223 0.683 2.130 230 HD2 LYS 683 HD2 LYS 683 55.577 -0.911 4.284 231 HD3 LYS 683 HD1 LYS 683 57.050 0.052 4.387 232 HE2 LYS 683 HE2 LYS 683 54.440 1.462 3.897 233 HE3 LYS 683 HE1 LYS 683 54.846 0.936 5.543 234 HZ1 LYS 683 HZ1 LYS 683 57.083 1.961 5.163 235 HZ2 LYS 683 HZ2 LYS 683 55.802 3.073 5.260 236 HZ3 LYS 683 HZ3 LYS 683 56.461 2.662 3.749 Start of MODEL 10 1 H1 GLU 657 HT1 GLU 657 14.817 13.763 -1.899 2 H2 GLU 657 HT2 GLU 657 14.775 15.459 -1.796 3 H3 GLU 657 HT3 GLU 657 15.450 14.544 -0.534 4 HA GLU 657 HA GLU 657 17.243 15.482 -1.805 5 HB2 GLU 657 HB2 GLU 657 16.565 12.605 -1.683 6 HB3 GLU 657 HB1 GLU 657 17.875 13.006 -2.794 7 HG2 GLU 657 HG2 GLU 657 17.954 14.307 -0.118 8 HG3 GLU 657 HG1 GLU 657 18.294 12.576 -0.169 9 H GLN 658 HN GLN 658 18.404 14.465 -4.074 10 HA GLN 658 HA GLN 658 16.546 15.406 -6.223 11 HB2 GLN 658 HB2 GLN 658 19.571 15.204 -6.036 12 HB3 GLN 658 HB1 GLN 658 18.689 15.869 -7.411 13 HG2 GLN 658 HG2 GLN 658 17.570 17.294 -5.383 14 HG3 GLN 658 HG1 GLN 658 19.195 17.052 -4.742 15 HE21 GLN 658 HE21 GLN 658 18.102 19.621 -5.694 16 HE22 GLN 658 HE22 GLN 658 19.069 20.104 -7.001 17 H GLU 659 HN GLU 659 17.948 14.336 -8.410 18 HA GLU 659 HA GLU 659 17.225 11.463 -8.179 19 HB2 GLU 659 HB2 GLU 659 17.895 13.242 -10.551 20 HB3 GLU 659 HB1 GLU 659 17.233 11.609 -10.646 21 HG2 GLU 659 HG2 GLU 659 15.249 12.752 -10.759 22 HG3 GLU 659 HG1 GLU 659 15.407 12.717 -9.002 23 H LEU 660 HN LEU 660 18.967 10.820 -10.504 24 HA LEU 660 HA LEU 660 21.479 10.394 -8.994 25 HB2 LEU 660 HB2 LEU 660 20.066 9.211 -11.351 26 HB3 LEU 660 HB1 LEU 660 21.811 8.984 -11.229 27 HG LEU 660 HG LEU 660 20.216 8.489 -8.763 28 HD11 LEU 660 HD11 LEU 660 19.659 6.199 -9.509 29 HD12 LEU 660 HD12 LEU 660 20.281 6.572 -11.116 30 HD13 LEU 660 HD13 LEU 660 18.850 7.406 -10.510 31 HD21 LEU 660 HD21 LEU 660 22.754 8.270 -9.065 32 HD22 LEU 660 HD22 LEU 660 22.410 6.853 -10.058 33 HD23 LEU 660 HD23 LEU 660 21.933 6.877 -8.359 34 H LEU 661 HN LEU 661 20.512 12.940 -10.580 35 HA LEU 661 HA LEU 661 22.791 13.212 -12.451 36 HB2 LEU 661 HB2 LEU 661 21.350 14.492 -13.611 37 HB3 LEU 661 HB1 LEU 661 20.119 13.914 -12.498 38 HG LEU 661 HG LEU 661 21.098 15.905 -11.004 39 HD11 LEU 661 HD11 LEU 661 22.625 16.269 -13.210 40 HD12 LEU 661 HD12 LEU 661 22.136 17.596 -12.156 41 HD13 LEU 661 HD13 LEU 661 21.239 17.271 -13.639 42 HD21 LEU 661 HD21 LEU 661 18.776 15.767 -11.558 43 HD22 LEU 661 HD22 LEU 661 19.101 16.038 -13.271 44 HD23 LEU 661 HD23 LEU 661 19.310 17.354 -12.115 45 H GLU 662 HN GLU 662 22.404 13.600 -9.275 46 HA GLU 662 HA GLU 662 23.614 16.251 -8.907 47 HB2 GLU 662 HB2 GLU 662 22.599 13.984 -7.242 48 HB3 GLU 662 HB1 GLU 662 23.720 15.117 -6.486 49 HG2 GLU 662 HG2 GLU 662 22.078 16.882 -7.688 50 HG3 GLU 662 HG1 GLU 662 20.937 15.560 -7.442 51 H LEU 663 HN LEU 663 25.790 16.636 -8.441 52 HA LEU 663 HA LEU 663 27.788 14.805 -9.318 53 HB2 LEU 663 HB2 LEU 663 27.695 17.332 -7.694 54 HB3 LEU 663 HB1 LEU 663 29.228 16.486 -7.905 55 HG LEU 663 HG LEU 663 27.613 16.861 -10.365 56 HD11 LEU 663 HD11 LEU 663 27.400 19.029 -9.048 57 HD12 LEU 663 HD12 LEU 663 28.148 19.178 -10.637 58 HD13 LEU 663 HD13 LEU 663 29.151 19.184 -9.186 59 HD21 LEU 663 HD21 LEU 663 29.944 15.833 -10.151 60 HD22 LEU 663 HD22 LEU 663 30.527 17.459 -9.797 61 HD23 LEU 663 HD23 LEU 663 29.780 17.110 -11.356 62 H ASP 664 HN ASP 664 26.116 15.046 -6.295 63 HA ASP 664 HA ASP 664 28.078 13.906 -4.537 64 HB2 ASP 664 HB2 ASP 664 25.049 13.989 -4.584 65 HB3 ASP 664 HB1 ASP 664 25.965 13.354 -3.216 66 H LYS 665 HN LYS 665 25.262 12.358 -6.139 67 HA LYS 665 HA LYS 665 25.928 9.676 -5.420 68 HB2 LYS 665 HB2 LYS 665 24.313 11.010 -7.592 69 HB3 LYS 665 HB1 LYS 665 24.451 9.253 -7.527 70 HG2 LYS 665 HG2 LYS 665 23.853 9.733 -4.942 71 HG3 LYS 665 HG1 LYS 665 23.035 11.108 -5.686 72 HD2 LYS 665 HD2 LYS 665 21.825 9.596 -7.198 73 HD3 LYS 665 HD1 LYS 665 22.665 8.211 -6.501 74 HE2 LYS 665 HE2 LYS 665 21.334 9.947 -4.509 75 HE3 LYS 665 HE1 LYS 665 20.233 9.099 -5.615 76 HZ1 LYS 665 HZ1 LYS 665 20.795 7.678 -3.749 77 HZ2 LYS 665 HZ2 LYS 665 22.452 7.863 -4.071 78 HZ3 LYS 665 HZ3 LYS 665 21.455 7.047 -5.178 79 H TRP 666 HN TRP 666 26.917 11.705 -8.159 80 HA TRP 666 HA TRP 666 28.321 9.511 -9.530 81 HB2 TRP 666 HB2 TRP 666 27.625 12.369 -9.924 82 HB3 TRP 666 HB1 TRP 666 29.091 11.817 -10.729 83 HD1 TRP 666 HD1 TRP 666 25.534 12.075 -11.331 84 HE1 TRP 666 HE1 TRP 666 24.767 10.455 -13.186 85 HE3 TRP 666 HE3 TRP 666 29.622 9.051 -11.581 86 HZ2 TRP 666 HZ2 TRP 666 25.768 8.166 -14.592 87 HZ3 TRP 666 HZ3 TRP 666 29.700 7.156 -13.182 88 HH2 TRP 666 HH2 TRP 666 27.778 6.710 -14.686 89 H ALA 667 HN ALA 667 29.069 11.824 -7.039 90 HA ALA 667 HA ALA 667 31.858 12.168 -7.621 91 HB1 ALA 667 HB1 ALA 667 30.035 12.501 -5.253 92 HB2 ALA 667 HB2 ALA 667 30.884 13.739 -6.179 93 HB3 ALA 667 HB3 ALA 667 31.773 12.717 -5.050 94 H SER 668 HN SER 668 30.104 9.733 -5.712 95 HA SER 668 HA SER 668 32.432 8.566 -4.493 96 HB2 SER 668 HB2 SER 668 30.831 6.631 -4.177 97 HB3 SER 668 HB1 SER 668 30.179 8.182 -3.655 98 HG SER 668 HG SER 668 28.665 7.129 -4.937 99 H LEU 669 HN LEU 669 31.303 8.507 -7.750 100 HA LEU 669 HA LEU 669 32.478 5.921 -8.481 101 HB2 LEU 669 HB2 LEU 669 31.267 8.338 -9.819 102 HB3 LEU 669 HB1 LEU 669 32.053 7.101 -10.777 103 HG LEU 669 HG LEU 669 29.424 7.053 -10.113 104 HD11 LEU 669 HD11 LEU 669 31.263 4.674 -10.484 105 HD12 LEU 669 HD12 LEU 669 30.500 5.616 -11.766 106 HD13 LEU 669 HD13 LEU 669 29.511 4.634 -10.685 107 HD21 LEU 669 HD21 LEU 669 29.063 5.362 -8.374 108 HD22 LEU 669 HD22 LEU 669 29.912 6.748 -7.697 109 HD23 LEU 669 HD23 LEU 669 30.797 5.269 -8.075 110 H TRP 670 HN TRP 670 33.335 9.367 -8.811 111 HA TRP 670 HA TRP 670 35.808 9.018 -10.208 112 HB2 TRP 670 HB2 TRP 670 34.286 11.103 -9.487 113 HB3 TRP 670 HB1 TRP 670 35.429 11.164 -8.145 114 HD1 TRP 670 HD1 TRP 670 35.024 12.193 -11.665 115 HE1 TRP 670 HE1 TRP 670 37.252 13.075 -12.616 116 HE3 TRP 670 HE3 TRP 670 38.223 10.646 -7.997 117 HZ2 TRP 670 HZ2 TRP 670 40.025 13.118 -11.913 118 HZ3 TRP 670 HZ3 TRP 670 40.649 11.121 -8.163 119 HH2 TRP 670 HH2 TRP 670 41.553 12.353 -10.115 120 H ALA 671 HN ALA 671 34.934 8.901 -6.768 121 HA ALA 671 HA ALA 671 37.625 8.749 -5.742 122 HB1 ALA 671 HB1 ALA 671 34.850 8.062 -4.770 123 HB2 ALA 671 HB2 ALA 671 35.898 9.380 -4.248 124 HB3 ALA 671 HB3 ALA 671 36.262 7.721 -3.771 125 H TRP 672 HN TRP 672 35.298 6.417 -6.973 126 HA TRP 672 HA TRP 672 36.544 4.025 -6.000 127 HB2 TRP 672 HB2 TRP 672 34.186 4.586 -6.999 128 HB3 TRP 672 HB1 TRP 672 34.954 4.249 -8.550 129 HD1 TRP 672 HD1 TRP 672 33.344 2.544 -5.678 130 HE1 TRP 672 HE1 TRP 672 33.693 -0.010 -5.860 131 HE3 TRP 672 HE3 TRP 672 36.851 2.441 -9.325 132 HZ2 TRP 672 HZ2 TRP 672 35.286 -1.858 -7.384 133 HZ3 TRP 672 HZ3 TRP 672 37.794 0.288 -10.139 134 HH2 TRP 672 HH2 TRP 672 37.010 -1.862 -9.174 135 H PHE 673 HN PHE 673 36.779 5.622 -9.241 136 HA PHE 673 HA PHE 673 38.521 3.765 -10.439 137 HB2 PHE 673 HB2 PHE 673 37.889 6.661 -10.673 138 HB3 PHE 673 HB1 PHE 673 39.398 6.147 -11.430 139 HD1 PHE 673 HD1 PHE 673 39.103 3.713 -12.669 140 HD2 PHE 673 HD2 PHE 673 36.034 6.657 -12.069 141 HE1 PHE 673 HE1 PHE 673 37.827 2.771 -14.575 142 HE2 PHE 673 HE2 PHE 673 34.757 5.714 -13.975 143 HZ PHE 673 HZ PHE 673 35.654 3.771 -15.228 144 H ALA 674 HN ALA 674 39.351 6.618 -8.484 145 HA ALA 674 HA ALA 674 42.216 5.976 -8.432 146 HB1 ALA 674 HB1 ALA 674 40.639 7.990 -6.829 147 HB2 ALA 674 HB2 ALA 674 41.122 8.251 -8.506 148 HB3 ALA 674 HB3 ALA 674 42.348 8.060 -7.253 149 H ILE 675 HN ILE 675 40.207 4.084 -7.041 150 HA ILE 675 HA ILE 675 40.510 4.318 -4.212 151 HB ILE 675 HB ILE 675 39.857 1.964 -4.263 152 HG12 ILE 675 HG12 ILE 675 39.894 2.292 -7.260 153 HG13 ILE 675 HG11 ILE 675 41.087 1.374 -6.352 154 HG21 ILE 675 HG21 ILE 675 38.478 4.146 -5.654 155 HG22 ILE 675 HG22 ILE 675 38.013 3.256 -4.207 156 HG23 ILE 675 HG23 ILE 675 37.778 2.536 -5.799 157 HD11 ILE 675 HD11 ILE 675 39.128 0.102 -5.340 158 HD12 ILE 675 HD12 ILE 675 39.479 -0.221 -7.038 159 HD13 ILE 675 HD13 ILE 675 38.139 0.840 -6.599 160 H THR 676 HN THR 676 42.841 4.925 -4.393 161 HA THR 676 HA THR 676 44.744 2.706 -4.767 162 HB THR 676 HB THR 676 46.074 4.916 -3.701 163 HG1 THR 676 HG1 THR 676 44.588 6.414 -3.868 164 HG21 THR 676 HG21 THR 676 46.595 5.327 -6.145 165 HG22 THR 676 HG22 THR 676 45.428 4.058 -6.519 166 HG23 THR 676 HG23 THR 676 46.871 3.681 -5.578 167 H ASN 677 HN ASN 677 42.784 2.473 -2.577 168 HA ASN 677 HA ASN 677 44.188 3.012 -0.074 169 HB2 ASN 677 HB2 ASN 677 41.705 1.547 -0.971 170 HB3 ASN 677 HB1 ASN 677 42.262 1.416 0.698 171 HD21 ASN 677 HD21 ASN 677 39.801 2.803 -0.339 172 HD22 ASN 677 HD22 ASN 677 39.939 4.414 0.179 173 H TRP 678 HN TRP 678 44.070 0.473 -2.455 174 HA TRP 678 HA TRP 678 45.436 -1.422 -0.592 175 HB2 TRP 678 HB2 TRP 678 45.159 -2.906 -2.779 176 HB3 TRP 678 HB1 TRP 678 43.813 -2.651 -1.679 177 HD1 TRP 678 HD1 TRP 678 41.961 -0.814 -2.432 178 HE1 TRP 678 HE1 TRP 678 41.208 -0.090 -4.789 179 HE3 TRP 678 HE3 TRP 678 45.902 -2.535 -5.179 180 HZ2 TRP 678 HZ2 TRP 678 42.153 -0.227 -7.485 181 HZ3 TRP 678 HZ3 TRP 678 45.949 -2.231 -7.639 182 HH2 TRP 678 HH2 TRP 678 44.082 -1.081 -8.794 183 H LEU 679 HN LEU 679 45.935 0.478 -3.466 184 HA LEU 679 HA LEU 679 48.432 -0.614 -4.345 185 HB2 LEU 679 HB2 LEU 679 46.944 1.943 -4.632 186 HB3 LEU 679 HB1 LEU 679 48.556 1.795 -5.318 187 HG LEU 679 HG LEU 679 47.015 -0.561 -5.926 188 HD11 LEU 679 HD11 LEU 679 44.978 0.558 -5.899 189 HD12 LEU 679 HD12 LEU 679 45.490 0.811 -7.568 190 HD13 LEU 679 HD13 LEU 679 45.700 2.093 -6.378 191 HD21 LEU 679 HD21 LEU 679 47.657 0.023 -8.213 192 HD22 LEU 679 HD22 LEU 679 49.021 0.312 -7.133 193 HD23 LEU 679 HD23 LEU 679 48.050 1.667 -7.709 194 H TRP 680 HN TRP 680 47.616 1.729 -1.850 195 HA TRP 680 HA TRP 680 50.215 2.889 -1.489 196 HB2 TRP 680 HB2 TRP 680 47.658 3.143 -0.435 197 HB3 TRP 680 HB1 TRP 680 48.579 2.508 0.928 198 HD1 TRP 680 HD1 TRP 680 47.938 5.626 -0.987 199 HE1 TRP 680 HE1 TRP 680 49.473 7.520 -0.148 200 HE3 TRP 680 HE3 TRP 680 51.166 2.927 1.907 201 HZ2 TRP 680 HZ2 TRP 680 51.768 7.846 1.529 202 HZ3 TRP 680 HZ3 TRP 680 53.016 4.053 3.112 203 HH2 TRP 680 HH2 TRP 680 53.321 6.507 2.927 204 H TYR 681 HN TYR 681 48.961 -0.251 -0.592 205 HA TYR 681 HA TYR 681 50.704 -0.872 1.572 206 HB2 TYR 681 HB2 TYR 681 48.744 -2.202 0.693 207 HB3 TYR 681 HB1 TYR 681 49.749 -2.684 -0.674 208 HD1 TYR 681 HD1 TYR 681 49.579 -2.741 3.056 209 HD2 TYR 681 HD2 TYR 681 51.268 -4.484 -0.487 210 HE1 TYR 681 HE1 TYR 681 50.571 -4.559 4.423 211 HE2 TYR 681 HE2 TYR 681 52.260 -6.302 0.879 212 HH TYR 681 HH TYR 681 52.929 -6.704 3.191 213 H ILE 682 HN ILE 682 51.272 -0.551 -1.863 214 HA ILE 682 HA ILE 682 54.013 -1.678 -1.562 215 HB ILE 682 HB ILE 682 52.954 -0.754 -4.180 216 HG12 ILE 682 HG12 ILE 682 51.830 -3.156 -2.693 217 HG13 ILE 682 HG11 ILE 682 50.923 -1.757 -3.260 218 HG21 ILE 682 HG21 ILE 682 54.185 -2.605 -4.985 219 HG22 ILE 682 HG22 ILE 682 54.152 -3.411 -3.416 220 HG23 ILE 682 HG23 ILE 682 55.152 -1.977 -3.650 221 HD11 ILE 682 HD11 ILE 682 51.989 -4.068 -4.803 222 HD12 ILE 682 HD12 ILE 682 52.027 -2.493 -5.595 223 HD13 ILE 682 HD13 ILE 682 50.495 -3.159 -5.028 224 H LYS 683 HN LYS 683 54.981 0.134 -0.550 225 HA LYS 683 HA LYS 683 54.736 2.850 -1.544 226 HB2 LYS 683 HB2 LYS 683 55.302 2.076 0.802 227 HB3 LYS 683 HB1 LYS 683 56.891 1.611 0.194 228 HG2 LYS 683 HG2 LYS 683 56.833 4.107 -0.765 229 HG3 LYS 683 HG1 LYS 683 55.737 4.335 0.599 230 HD2 LYS 683 HD2 LYS 683 57.708 4.698 1.718 231 HD3 LYS 683 HD1 LYS 683 57.680 2.939 1.840 232 HE2 LYS 683 HE2 LYS 683 58.889 3.089 -0.530 233 HE3 LYS 683 HE1 LYS 683 59.369 4.683 0.087 234 HZ1 LYS 683 HZ1 LYS 683 60.925 2.946 0.788 235 HZ2 LYS 683 HZ2 LYS 683 59.658 2.115 1.558 236 HZ3 LYS 683 HZ3 LYS 683 60.138 3.646 2.117
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