NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608558 | 5kx0 | 30144 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASN 1 H ASN 1 -1.456 8.673 0.592 2 HA ASN 1 HA ASN 1 -3.947 9.491 -0.369 3 HB2 ASN 1 2HB ASN 1 -1.965 9.072 -1.845 4 HB3 ASN 1 1HB ASN 1 -2.179 7.350 -1.584 5 HD21 ASN 1 1HD2 ASN 1 -3.415 10.150 -3.194 6 HD22 ASN 1 2HD2 ASN 1 -4.527 9.313 -4.211 7 HA PRO 2 HA PRO 2 -6.372 6.301 1.529 8 HB2 PRO 2 2HB PRO 2 -8.743 6.891 0.314 9 HB3 PRO 2 1HB PRO 2 -8.109 7.750 1.718 10 HG2 PRO 2 2HG PRO 2 -8.034 8.511 -1.168 11 HG3 PRO 2 1HG PRO 2 -8.303 9.537 0.253 12 HD2 PRO 2 2HD PRO 2 -5.940 9.438 -1.041 13 HD3 PRO 2 1HD PRO 2 -6.048 9.702 0.712 14 H GLU 3 H GLU 3 -6.408 6.714 -1.980 15 HA GLU 3 HA GLU 3 -7.644 4.151 -2.336 16 HB2 GLU 3 2HB GLU 3 -6.551 6.136 -4.311 17 HB3 GLU 3 1HB GLU 3 -7.273 4.598 -4.771 18 HG2 GLU 3 2HG GLU 3 -8.650 6.798 -3.245 19 HG3 GLU 3 1HG GLU 3 -8.884 6.416 -4.951 20 H LEU 4 H LEU 4 -4.446 5.445 -2.390 21 HA LEU 4 HA LEU 4 -3.150 3.151 -3.415 22 HB2 LEU 4 2HB LEU 4 -2.077 5.365 -3.229 23 HB3 LEU 4 1HB LEU 4 -2.181 5.258 -1.486 24 HG LEU 4 HG LEU 4 -0.595 3.386 -1.502 25 HD11 LEU 4 1HD1 LEU 4 -1.077 2.445 -3.685 26 HD12 LEU 4 2HD1 LEU 4 0.635 2.851 -3.556 27 HD13 LEU 4 3HD1 LEU 4 -0.455 3.898 -4.464 28 HD21 LEU 4 1HD2 LEU 4 0.354 5.837 -2.978 29 HD22 LEU 4 2HD2 LEU 4 1.373 4.688 -2.108 30 HD23 LEU 4 3HD2 LEU 4 0.202 5.669 -1.229 31 H GLN 5 H GLN 5 -3.894 4.295 -0.151 32 HA GLN 5 HA GLN 5 -2.960 2.076 1.296 33 HB2 GLN 5 2HB GLN 5 -5.205 3.999 1.896 34 HB3 GLN 5 1HB GLN 5 -4.562 2.844 3.053 35 HG2 GLN 5 2HG GLN 5 -2.429 3.929 3.039 36 HG3 GLN 5 1HG GLN 5 -2.934 4.990 1.726 37 HE21 GLN 5 1HE2 GLN 5 -1.996 5.594 4.403 38 HE22 GLN 5 2HE2 GLN 5 -3.216 6.554 5.149 39 H ARG 6 H ARG 6 -5.974 2.710 -0.330 40 HA ARG 6 HA ARG 6 -7.541 0.562 0.532 41 HB2 ARG 6 2HB ARG 6 -8.412 2.409 -0.800 42 HB3 ARG 6 1HB ARG 6 -7.430 1.906 -2.162 43 HG2 ARG 6 2HG ARG 6 -8.697 -0.227 -2.224 44 HG3 ARG 6 1HG ARG 6 -9.735 0.432 -0.953 45 HD2 ARG 6 2HD ARG 6 -10.409 2.251 -2.387 46 HD3 ARG 6 1HD ARG 6 -9.288 1.714 -3.633 47 HE ARG 6 HE ARG 6 -11.197 -0.261 -2.850 48 HH11 ARG 6 1HH1 ARG 6 -10.702 2.566 -4.920 49 HH12 ARG 6 2HH1 ARG 6 -11.723 1.999 -6.171 50 HH21 ARG 6 1HH2 ARG 6 -12.625 -1.007 -4.540 51 HH22 ARG 6 2HH2 ARG 6 -12.852 -0.074 -5.951 52 H LYS 7 H LYS 7 -5.246 0.823 -2.145 53 HA LYS 7 HA LYS 7 -5.567 -1.750 -3.211 54 HB2 LYS 7 2HB LYS 7 -4.340 0.083 -4.358 55 HB3 LYS 7 1HB LYS 7 -3.061 -0.046 -3.160 56 HG2 LYS 7 2HG LYS 7 -2.638 -2.359 -3.900 57 HG3 LYS 7 1HG LYS 7 -3.869 -2.162 -5.145 58 HD2 LYS 7 2HD LYS 7 -2.561 -0.275 -6.078 59 HD3 LYS 7 1HD LYS 7 -1.304 -0.594 -4.880 60 HE2 LYS 7 2HE LYS 7 -1.002 -2.837 -5.780 61 HE3 LYS 7 1HE LYS 7 -2.285 -2.551 -6.949 62 HZ1 LYS 7 1HZ LYS 7 0.420 -1.327 -6.855 63 HZ2 LYS 7 2HZ LYS 7 -0.841 -0.620 -7.711 64 HZ3 LYS 7 3HZ LYS 7 -0.321 -2.153 -8.132 65 H CYS 8 H CYS 8 -3.389 -0.454 -0.770 66 HA CYS 8 HA CYS 8 -1.968 -2.766 -0.160 67 HB2 CYS 8 2HB CYS 8 -2.764 -0.506 1.647 68 HB3 CYS 8 1HB CYS 8 -1.446 -1.634 1.935 69 H LYS 9 H LYS 9 -4.942 -1.459 1.263 70 HA LYS 9 HA LYS 9 -5.241 -3.474 3.184 71 HB2 LYS 9 2HB LYS 9 -7.265 -1.634 1.945 72 HB3 LYS 9 1HB LYS 9 -7.623 -2.729 3.275 73 HG2 LYS 9 2HG LYS 9 -5.966 -1.597 4.655 74 HG3 LYS 9 1HG LYS 9 -5.587 -0.505 3.321 75 HD2 LYS 9 2HD LYS 9 -7.095 0.566 4.921 76 HD3 LYS 9 1HD LYS 9 -7.888 0.333 3.364 77 HE2 LYS 9 2HE LYS 9 -9.023 -1.660 4.236 78 HE3 LYS 9 1HE LYS 9 -8.208 -1.447 5.785 79 HZ1 LYS 9 1HZ LYS 9 -10.115 0.465 4.555 80 HZ2 LYS 9 2HZ LYS 9 -9.376 0.638 6.060 81 HZ3 LYS 9 3HZ LYS 9 -10.465 -0.614 5.795 82 H GLU 10 H GLU 10 -6.191 -3.330 -0.163 83 HA GLU 10 HA GLU 10 -7.796 -5.686 0.077 84 HB2 GLU 10 2HB GLU 10 -8.390 -3.892 -1.489 85 HB3 GLU 10 1HB GLU 10 -6.900 -4.174 -2.374 86 HG2 GLU 10 2HG GLU 10 -7.629 -6.249 -3.146 87 HG3 GLU 10 1HG GLU 10 -8.966 -6.303 -1.998 88 H LEU 11 H LEU 11 -4.535 -4.898 -0.920 89 HA LEU 11 HA LEU 11 -3.912 -7.510 -1.893 90 HB2 LEU 11 2HB LEU 11 -2.092 -5.331 -0.858 91 HB3 LEU 11 1HB LEU 11 -1.537 -6.805 -1.609 92 HG LEU 11 HG LEU 11 -3.133 -4.628 -2.959 93 HD11 LEU 11 1HD1 LEU 11 -0.855 -3.952 -2.466 94 HD12 LEU 11 2HD1 LEU 11 -1.064 -4.223 -4.197 95 HD13 LEU 11 3HD1 LEU 11 -0.243 -5.429 -3.210 96 HD21 LEU 11 1HD2 LEU 11 -3.643 -6.811 -3.911 97 HD22 LEU 11 2HD2 LEU 11 -1.923 -7.161 -4.077 98 HD23 LEU 11 3HD2 LEU 11 -2.658 -5.870 -5.029 99 H DAS 12 H DAS 12 -3.562 -5.847 1.183 100 HA DAS 12 HA DAS 12 -3.077 -8.429 2.464 101 HB2 DAS 12 1HB DAS 12 -5.140 -7.153 3.166 102 HB3 DAS 12 2HB DAS 12 -4.077 -5.868 3.732 103 H THR 13 H THR 13 -1.056 -8.664 3.165 104 HA THR 13 HA THR 13 0.545 -6.259 3.597 105 HB THR 13 HB THR 13 2.154 -7.980 4.671 106 HG1 THR 13 1HG THR 13 -0.119 -9.517 5.189 107 HG21 THR 13 1HG2 THR 13 -0.529 -7.469 5.960 108 HG22 THR 13 2HG2 THR 13 0.840 -6.360 5.949 109 HG23 THR 13 3HG2 THR 13 0.962 -7.896 6.804 110 H ARG 14 H ARG 14 -0.273 -8.174 1.317 111 HA ARG 14 HA ARG 14 2.152 -9.036 0.028 112 HB2 ARG 14 2HB ARG 14 -0.715 -8.765 -0.863 113 HB3 ARG 14 1HB ARG 14 0.536 -9.462 -1.868 114 HG2 ARG 14 2HG ARG 14 0.746 -11.338 -0.464 115 HG3 ARG 14 1HG ARG 14 -0.162 -10.556 0.835 116 HD2 ARG 14 2HD ARG 14 -1.472 -12.256 -0.452 117 HD3 ARG 14 1HD ARG 14 -2.189 -10.647 -0.428 118 HE ARG 14 HE ARG 14 -0.619 -11.705 -2.675 119 HH11 ARG 14 1HH1 ARG 14 -3.376 -9.820 -1.482 120 HH12 ARG 14 2HH1 ARG 14 -4.002 -9.483 -3.039 121 HH21 ARG 14 1HH2 ARG 14 -1.450 -11.202 -4.774 122 HH22 ARG 14 2HH2 ARG 14 -2.855 -10.267 -4.974 123 HA DPR 15 HA DPR 15 1.915 -5.654 -3.178 124 HB2 DPR 15 1HB DPR 15 4.595 -6.570 -3.916 125 HB3 DPR 15 2HB DPR 15 3.157 -6.453 -4.932 126 HG2 DPR 15 1HG DPR 15 4.205 -8.833 -4.213 127 HG3 DPR 15 2HG DPR 15 2.459 -8.601 -4.410 128 HD2 DPR 15 1HD DPR 15 4.086 -8.629 -1.892 129 HD3 DPR 15 2HD DPR 15 2.541 -9.434 -2.238 130 H DGL 16 H DGL 16 4.032 -6.700 -0.796 131 HA DGL 16 HA DGL 16 5.923 -4.648 -0.640 132 HB2 DGL 16 1HB DGL 16 4.729 -6.494 1.401 133 HB3 DGL 16 2HB DGL 16 6.085 -5.465 1.772 134 HG2 DGL 16 1HG DGL 16 5.959 -7.644 -0.314 135 HG3 DGL 16 2HG DGL 16 6.821 -7.717 1.223 136 H DAL 17 H DAL 17 2.633 -4.944 0.456 137 HA DAL 17 HA DAL 17 2.484 -2.798 2.240 138 HB1 DAL 17 1HB DAL 17 0.764 -4.532 2.028 139 HB2 DAL 17 2HB DAL 17 0.341 -3.910 0.431 140 HB3 DAL 17 3HB DAL 17 0.085 -2.913 1.864 141 H DGL 18 H DGL 18 2.230 -3.001 -1.255 142 HA DGL 18 HA DGL 18 1.248 -0.479 -1.925 143 HB2 DGL 18 1HB DGL 18 1.484 -2.214 -3.587 144 HB3 DGL 18 2HB DGL 18 3.215 -2.294 -3.333 145 HG2 DGL 18 1HG DGL 18 3.380 0.037 -4.208 146 HG3 DGL 18 2HG DGL 18 1.674 -0.073 -4.638 147 H DAR 19 H DAR 19 4.568 -1.578 -1.531 148 HA DAR 19 HA DAR 19 5.650 1.005 -2.004 149 HB2 DAR 19 1HB DAR 19 6.905 -1.545 -1.097 150 HB3 DAR 19 2HB DAR 19 7.805 -0.045 -0.963 151 HG2 DAR 19 1HG DAR 19 8.454 -1.050 -3.005 152 HG3 DAR 19 2HG DAR 19 7.415 0.304 -3.424 153 HD2 DAR 19 1HD DAR 19 6.784 -1.481 -4.830 154 HD3 DAR 19 2HD DAR 19 5.514 -1.323 -3.617 155 HE DAR 19 HE DAR 19 7.182 -3.151 -2.556 156 HH11 DAR 19 1HH2 DAR 19 7.248 -5.489 -2.969 157 HH12 DAR 19 2HH2 DAR 19 6.540 -6.073 -4.400 158 HH21 DAR 19 1HH1 DAR 19 5.285 -2.959 -5.550 159 HH22 DAR 19 2HH1 DAR 19 5.414 -4.628 -5.889 160 H DLY 20 H DLY 20 4.837 -0.772 0.893 161 HA DLY 20 HA DLY 20 5.907 1.035 2.748 162 HB2 DLY 20 1HB DLY 20 5.052 -1.173 3.403 163 HB3 DLY 20 2HB DLY 20 3.427 -0.689 2.954 164 HG2 DLY 20 1HG DLY 20 3.398 0.965 4.742 165 HG3 DLY 20 2HG DLY 20 5.045 0.521 5.186 166 HD2 DLY 20 1HD DLY 20 4.356 -1.695 5.788 167 HD3 DLY 20 2HD DLY 20 2.732 -1.412 5.174 168 HE2 DLY 20 1HE DLY 20 3.995 0.037 7.503 169 HE3 DLY 20 2HE DLY 20 2.831 -1.278 7.634 170 HZ1 DLY 20 1HZ DLY 20 1.227 0.136 6.412 171 HZ2 DLY 20 2HZ DLY 20 2.335 1.417 6.478 172 HZ3 DLY 20 3HZ DLY 20 1.699 0.785 7.891 173 H DCY 21 H DCY 21 2.673 0.908 1.275 174 HA DCY 21 HA DCY 21 1.656 3.234 2.450 175 HB2 DCY 21 1HB DCY 21 1.012 1.933 -0.171 176 HB3 DCY 21 2HB DCY 21 0.096 3.292 0.489 177 H DAR 22 H DAR 22 3.484 2.793 -0.535 178 HA DAR 22 HA DAR 22 3.251 5.495 -1.336 179 HB2 DAR 22 1HB DAR 22 5.282 3.402 -2.072 180 HB3 DAR 22 2HB DAR 22 5.236 5.000 -2.801 181 HG2 DAR 22 1HG DAR 22 2.964 4.538 -3.619 182 HG3 DAR 22 2HG DAR 22 3.067 2.917 -2.927 183 HD2 DAR 22 1HD DAR 22 4.975 2.422 -4.330 184 HD3 DAR 22 2HD DAR 22 4.906 4.042 -5.026 185 HE DAR 22 HE DAR 22 2.431 2.928 -5.437 186 HH11 DAR 22 1HH1 DAR 22 5.763 2.308 -6.450 187 HH12 DAR 22 2HH1 DAR 22 5.334 1.460 -7.857 188 HH21 DAR 22 1HH2 DAR 22 1.833 1.777 -7.403 189 HH22 DAR 22 2HH2 DAR 22 3.062 1.174 -8.417 190 H DGL 23 H DGL 23 5.682 3.778 0.530 191 HA DGL 23 HA DGL 23 7.528 5.839 0.822 192 HB2 DGL 23 1HB DGL 23 8.035 3.538 1.376 193 HB3 DGL 23 2HB DGL 23 6.812 3.527 2.629 194 HG2 DGL 23 1HG DGL 23 8.088 5.073 3.961 195 HG3 DGL 23 2HG DGL 23 9.305 5.197 2.689 196 H DGL 24 H DGL 24 4.769 4.943 2.850 197 HA DGL 24 HA DGL 24 5.186 7.078 4.702 198 HB2 DGL 24 1HB DGL 24 2.757 5.333 4.287 199 HB3 DGL 24 2HB DGL 24 3.066 6.357 5.684 200 HG2 DGL 24 1HG DGL 24 5.053 5.034 6.198 201 HG3 DGL 24 2HG DGL 24 4.715 3.989 4.822 202 H SER 25 H SER 25 2.734 6.497 2.197 203 HA SER 25 HA SER 25 2.174 9.366 2.155 204 HB2 SER 25 2HB SER 25 1.595 7.175 0.140 205 HB3 SER 25 1HB SER 25 1.097 8.851 -0.053 206 HG SER 25 HG SER 25 3.755 7.810 0.033 207 H ASP 26 H ASP 26 -0.116 9.967 2.088 208 HA ASP 26 HA ASP 26 -1.686 8.027 3.614 209 HB2 ASP 26 2HB ASP 26 -2.919 9.927 4.560 210 HB3 ASP 26 1HB ASP 26 -1.199 10.034 4.902 Start of MODEL 2 1 H ASN 1 H ASN 1 -1.566 8.724 0.381 2 HA ASN 1 HA ASN 1 -4.048 9.883 -0.478 3 HB2 ASN 1 2HB ASN 1 -2.351 7.663 -1.646 4 HB3 ASN 1 1HB ASN 1 -3.766 8.318 -2.448 5 HD21 ASN 1 1HD2 ASN 1 -3.101 11.104 -1.638 6 HD22 ASN 1 2HD2 ASN 1 -1.773 11.545 -2.627 7 HA PRO 2 HA PRO 2 -6.410 6.897 1.988 8 HB2 PRO 2 2HB PRO 2 -8.647 8.070 0.424 9 HB3 PRO 2 1HB PRO 2 -8.481 7.871 2.170 10 HG2 PRO 2 2HG PRO 2 -8.209 10.267 1.060 11 HG3 PRO 2 1HG PRO 2 -7.161 9.766 2.397 12 HD2 PRO 2 2HD PRO 2 -6.560 9.930 -0.522 13 HD3 PRO 2 1HD PRO 2 -5.538 10.322 0.874 14 H GLU 3 H GLU 3 -7.101 7.411 -1.453 15 HA GLU 3 HA GLU 3 -8.458 4.962 -1.848 16 HB2 GLU 3 2HB GLU 3 -8.658 6.883 -3.396 17 HB3 GLU 3 1HB GLU 3 -6.976 6.679 -3.857 18 HG2 GLU 3 2HG GLU 3 -8.408 5.784 -5.554 19 HG3 GLU 3 1HG GLU 3 -7.508 4.487 -4.784 20 H LEU 4 H LEU 4 -5.116 5.947 -2.208 21 HA LEU 4 HA LEU 4 -4.127 3.526 -3.258 22 HB2 LEU 4 2HB LEU 4 -2.888 5.637 -3.389 23 HB3 LEU 4 1HB LEU 4 -2.733 5.649 -1.645 24 HG LEU 4 HG LEU 4 -1.365 3.608 -1.768 25 HD11 LEU 4 1HD1 LEU 4 -1.515 4.041 -4.744 26 HD12 LEU 4 2HD1 LEU 4 -2.189 2.683 -3.840 27 HD13 LEU 4 3HD1 LEU 4 -0.441 2.903 -3.925 28 HD21 LEU 4 1HD2 LEU 4 -0.374 5.912 -3.421 29 HD22 LEU 4 2HD2 LEU 4 0.641 4.693 -2.646 30 HD23 LEU 4 3HD2 LEU 4 -0.325 5.798 -1.664 31 H GLN 5 H GLN 5 -4.469 4.761 0.035 32 HA GLN 5 HA GLN 5 -3.221 2.540 1.234 33 HB2 GLN 5 2HB GLN 5 -5.147 4.525 2.441 34 HB3 GLN 5 1HB GLN 5 -4.273 3.309 3.364 35 HG2 GLN 5 2HG GLN 5 -2.144 4.308 2.558 36 HG3 GLN 5 1HG GLN 5 -3.085 5.588 1.795 37 HE21 GLN 5 1HE2 GLN 5 -2.003 4.227 4.760 38 HE22 GLN 5 2HE2 GLN 5 -2.434 5.535 5.791 39 H ARG 6 H ARG 6 -6.480 3.023 0.132 40 HA ARG 6 HA ARG 6 -7.531 0.717 1.428 41 HB2 ARG 6 2HB ARG 6 -8.466 1.931 -1.196 42 HB3 ARG 6 1HB ARG 6 -9.335 0.716 -0.274 43 HG2 ARG 6 2HG ARG 6 -9.323 2.438 1.623 44 HG3 ARG 6 1HG ARG 6 -8.883 3.599 0.373 45 HD2 ARG 6 2HD ARG 6 -11.343 1.849 0.400 46 HD3 ARG 6 1HD ARG 6 -11.289 3.565 0.758 47 HE ARG 6 HE ARG 6 -10.293 3.301 -1.824 48 HH11 ARG 6 1HH1 ARG 6 -13.343 2.471 -0.195 49 HH12 ARG 6 2HH1 ARG 6 -14.287 2.751 -1.578 50 HH21 ARG 6 1HH2 ARG 6 -11.570 3.659 -3.657 51 HH22 ARG 6 2HH2 ARG 6 -13.269 3.419 -3.625 52 H LYS 7 H LYS 7 -5.975 1.268 -1.655 53 HA LYS 7 HA LYS 7 -6.027 -1.328 -2.660 54 HB2 LYS 7 2HB LYS 7 -5.349 0.276 -4.199 55 HB3 LYS 7 1HB LYS 7 -4.219 1.027 -3.082 56 HG2 LYS 7 2HG LYS 7 -2.705 -0.879 -3.353 57 HG3 LYS 7 1HG LYS 7 -3.859 -1.630 -4.456 58 HD2 LYS 7 2HD LYS 7 -3.497 -0.034 -6.114 59 HD3 LYS 7 1HD LYS 7 -2.804 1.127 -4.986 60 HE2 LYS 7 2HE LYS 7 -1.083 0.147 -6.413 61 HE3 LYS 7 1HE LYS 7 -0.832 -0.275 -4.727 62 HZ1 LYS 7 1HZ LYS 7 -0.446 -2.189 -6.011 63 HZ2 LYS 7 2HZ LYS 7 -1.863 -1.993 -6.899 64 HZ3 LYS 7 3HZ LYS 7 -1.952 -2.463 -5.287 65 H CYS 8 H CYS 8 -3.693 0.216 -0.467 66 HA CYS 8 HA CYS 8 -1.822 -1.812 -0.241 67 HB2 CYS 8 2HB CYS 8 -2.843 -0.133 2.063 68 HB3 CYS 8 1HB CYS 8 -1.272 -0.914 1.952 69 H LYS 9 H LYS 9 -4.784 -1.378 1.704 70 HA LYS 9 HA LYS 9 -4.333 -3.847 3.089 71 HB2 LYS 9 2HB LYS 9 -5.488 -1.784 4.060 72 HB3 LYS 9 1HB LYS 9 -6.897 -2.257 3.125 73 HG2 LYS 9 2HG LYS 9 -7.204 -3.075 5.349 74 HG3 LYS 9 1HG LYS 9 -6.849 -4.464 4.318 75 HD2 LYS 9 2HD LYS 9 -4.489 -4.373 5.050 76 HD3 LYS 9 1HD LYS 9 -4.887 -3.025 6.112 77 HE2 LYS 9 2HE LYS 9 -4.842 -4.989 7.444 78 HE3 LYS 9 1HE LYS 9 -6.535 -4.548 7.244 79 HZ1 LYS 9 1HZ LYS 9 -5.068 -6.656 5.762 80 HZ2 LYS 9 2HZ LYS 9 -6.693 -6.266 5.484 81 HZ3 LYS 9 3HZ LYS 9 -6.212 -6.914 6.954 82 H GLU 10 H GLU 10 -5.852 -2.978 0.159 83 HA GLU 10 HA GLU 10 -7.591 -5.252 0.007 84 HB2 GLU 10 2HB GLU 10 -7.905 -3.114 -1.262 85 HB3 GLU 10 1HB GLU 10 -6.489 -3.534 -2.206 86 HG2 GLU 10 2HG GLU 10 -7.594 -5.517 -3.021 87 HG3 GLU 10 1HG GLU 10 -9.016 -5.126 -2.051 88 H LEU 11 H LEU 11 -4.389 -4.380 -1.104 89 HA LEU 11 HA LEU 11 -3.835 -6.750 -2.542 90 HB2 LEU 11 2HB LEU 11 -2.706 -4.568 -2.856 91 HB3 LEU 11 1HB LEU 11 -1.982 -4.733 -1.274 92 HG LEU 11 HG LEU 11 -0.727 -6.673 -2.052 93 HD11 LEU 11 1HD1 LEU 11 -2.247 -7.471 -3.795 94 HD12 LEU 11 2HD1 LEU 11 -0.641 -7.179 -4.459 95 HD13 LEU 11 3HD1 LEU 11 -1.936 -6.016 -4.742 96 HD21 LEU 11 1HD2 LEU 11 0.263 -4.474 -2.157 97 HD22 LEU 11 2HD2 LEU 11 -0.429 -4.222 -3.761 98 HD23 LEU 11 3HD2 LEU 11 0.796 -5.467 -3.511 99 H DAS 12 H DAS 12 -3.356 -5.671 0.742 100 HA DAS 12 HA DAS 12 -2.960 -8.464 1.522 101 HB2 DAS 12 1HB DAS 12 -4.973 -7.553 2.432 102 HB3 DAS 12 2HB DAS 12 -4.122 -6.143 3.039 103 H THR 13 H THR 13 -0.994 -8.985 2.113 104 HA THR 13 HA THR 13 0.709 -6.907 3.271 105 HB THR 13 HB THR 13 2.013 -8.941 4.148 106 HG1 THR 13 1HG THR 13 1.287 -10.777 3.525 107 HG21 THR 13 1HG2 THR 13 0.499 -9.242 6.068 108 HG22 THR 13 2HG2 THR 13 -0.814 -8.505 5.149 109 HG23 THR 13 3HG2 THR 13 0.589 -7.542 5.605 110 H ARG 14 H ARG 14 0.073 -8.409 0.497 111 HA ARG 14 HA ARG 14 2.535 -9.374 -0.468 112 HB2 ARG 14 2HB ARG 14 0.062 -8.397 -1.867 113 HB3 ARG 14 1HB ARG 14 1.470 -8.959 -2.755 114 HG2 ARG 14 2HG ARG 14 1.243 -11.140 -1.814 115 HG3 ARG 14 1HG ARG 14 -0.046 -10.599 -0.741 116 HD2 ARG 14 2HD ARG 14 -0.939 -11.778 -2.696 117 HD3 ARG 14 1HD ARG 14 -1.451 -10.091 -2.673 118 HE ARG 14 HE ARG 14 0.913 -10.767 -4.222 119 HH11 ARG 14 1HH1 ARG 14 -2.527 -9.964 -4.272 120 HH12 ARG 14 2HH1 ARG 14 -2.566 -9.572 -5.924 121 HH21 ARG 14 1HH2 ARG 14 0.860 -10.266 -6.487 122 HH22 ARG 14 2HH2 ARG 14 -0.575 -9.781 -7.243 123 HA DPR 15 HA DPR 15 4.199 -5.848 -2.887 124 HB2 DPR 15 1HB DPR 15 6.702 -7.186 -2.001 125 HB3 DPR 15 2HB DPR 15 6.236 -6.639 -3.614 126 HG2 DPR 15 1HG DPR 15 6.231 -9.230 -3.028 127 HG3 DPR 15 2HG DPR 15 4.933 -8.528 -4.009 128 HD2 DPR 15 1HD DPR 15 4.921 -9.249 -1.094 129 HD3 DPR 15 2HD DPR 15 3.687 -9.549 -2.335 130 H DGL 16 H DGL 16 4.763 -6.976 0.354 131 HA DGL 16 HA DGL 16 6.398 -4.880 1.298 132 HB2 DGL 16 1HB DGL 16 5.749 -7.133 2.441 133 HB3 DGL 16 2HB DGL 16 4.307 -6.294 2.968 134 HG2 DGL 16 1HG DGL 16 7.129 -5.517 3.691 135 HG3 DGL 16 2HG DGL 16 6.016 -6.394 4.723 136 H DAL 17 H DAL 17 2.914 -5.401 1.297 137 HA DAL 17 HA DAL 17 2.144 -2.917 2.388 138 HB1 DAL 17 1HB DAL 17 0.642 -4.845 2.290 139 HB2 DAL 17 2HB DAL 17 0.605 -4.720 0.533 140 HB3 DAL 17 3HB DAL 17 -0.075 -3.429 1.522 141 H DGL 18 H DGL 18 2.508 -4.064 -0.907 142 HA DGL 18 HA DGL 18 1.611 -1.899 -2.382 143 HB2 DGL 18 1HB DGL 18 2.375 -4.090 -3.300 144 HB3 DGL 18 2HB DGL 18 4.031 -3.616 -2.978 145 HG2 DGL 18 1HG DGL 18 3.551 -3.330 -5.304 146 HG3 DGL 18 2HG DGL 18 3.804 -1.758 -4.553 147 H DAR 19 H DAR 19 4.887 -2.496 -1.223 148 HA DAR 19 HA DAR 19 5.902 0.012 -2.107 149 HB2 DAR 19 1HB DAR 19 7.024 -1.910 -0.068 150 HB3 DAR 19 2HB DAR 19 7.899 -0.556 -0.771 151 HG2 DAR 19 1HG DAR 19 6.849 -2.950 -2.269 152 HG3 DAR 19 2HG DAR 19 8.529 -2.662 -1.818 153 HD2 DAR 19 1HD DAR 19 6.884 -0.918 -3.651 154 HD3 DAR 19 2HD DAR 19 8.110 -2.080 -4.150 155 HE DAR 19 HE DAR 19 9.566 -0.621 -2.577 156 HH11 DAR 19 1HH2 DAR 19 10.688 1.388 -3.053 157 HH12 DAR 19 2HH2 DAR 19 9.979 2.480 -4.160 158 HH21 DAR 19 1HH1 DAR 19 7.093 0.579 -4.824 159 HH22 DAR 19 2HH1 DAR 19 7.933 2.008 -5.177 160 H DLY 20 H DLY 20 4.515 -1.141 0.885 161 HA DLY 20 HA DLY 20 5.304 1.076 2.420 162 HB2 DLY 20 1HB DLY 20 4.783 -1.089 3.418 163 HB3 DLY 20 2HB DLY 20 3.101 -0.905 2.953 164 HG2 DLY 20 1HG DLY 20 2.720 0.776 4.514 165 HG3 DLY 20 2HG DLY 20 4.443 1.088 4.734 166 HD2 DLY 20 1HD DLY 20 4.709 -1.113 5.744 167 HD3 DLY 20 2HD DLY 20 2.989 -1.421 5.524 168 HE2 DLY 20 1HE DLY 20 3.650 -0.696 7.831 169 HE3 DLY 20 2HE DLY 20 2.399 0.290 7.077 170 HZ1 DLY 20 1HZ DLY 20 4.352 1.439 8.256 171 HZ2 DLY 20 2HZ DLY 20 3.715 2.013 6.836 172 HZ3 DLY 20 3HZ DLY 20 5.187 1.192 6.783 173 H DCY 21 H DCY 21 2.618 0.520 0.305 174 HA DCY 21 HA DCY 21 0.946 2.619 0.977 175 HB2 DCY 21 1HB DCY 21 1.754 1.583 -1.737 176 HB3 DCY 21 2HB DCY 21 0.410 2.690 -1.500 177 H DAR 22 H DAR 22 3.724 2.643 -1.251 178 HA DAR 22 HA DAR 22 3.687 5.501 -1.546 179 HB2 DAR 22 1HB DAR 22 5.555 3.349 -2.502 180 HB3 DAR 22 2HB DAR 22 5.929 5.051 -2.724 181 HG2 DAR 22 1HG DAR 22 3.414 3.750 -3.731 182 HG3 DAR 22 2HG DAR 22 4.879 3.948 -4.698 183 HD2 DAR 22 1HD DAR 22 3.284 6.183 -3.425 184 HD3 DAR 22 2HD DAR 22 3.262 5.740 -5.131 185 HE DAR 22 HE DAR 22 5.800 6.192 -4.893 186 HH11 DAR 22 1HH1 DAR 22 3.208 8.101 -3.402 187 HH12 DAR 22 2HH1 DAR 22 4.043 9.573 -3.453 188 HH21 DAR 22 1HH2 DAR 22 6.988 8.288 -4.950 189 HH22 DAR 22 2HH2 DAR 22 6.231 9.655 -4.295 190 H DGL 23 H DGL 23 5.119 3.336 0.625 191 HA DGL 23 HA DGL 23 7.313 4.789 1.573 192 HB2 DGL 23 1HB DGL 23 6.821 2.460 2.160 193 HB3 DGL 23 2HB DGL 23 5.399 2.986 3.051 194 HG2 DGL 23 1HG DGL 23 6.836 4.189 4.620 195 HG3 DGL 23 2HG DGL 23 8.250 3.560 3.775 196 H DGL 24 H DGL 24 3.917 4.785 2.641 197 HA DGL 24 HA DGL 24 4.559 7.067 4.348 198 HB2 DGL 24 1HB DGL 24 2.207 5.205 4.438 199 HB3 DGL 24 2HB DGL 24 2.455 6.575 5.515 200 HG2 DGL 24 1HG DGL 24 4.499 5.585 6.332 201 HG3 DGL 24 2HG DGL 24 4.293 4.224 5.235 202 H SER 25 H SER 25 2.741 6.324 1.473 203 HA SER 25 HA SER 25 2.162 9.055 1.169 204 HB2 SER 25 2HB SER 25 1.125 6.671 -0.376 205 HB3 SER 25 1HB SER 25 1.032 8.356 -0.905 206 HG SER 25 HG SER 25 3.393 8.338 -0.676 207 H ASP 26 H ASP 26 0.389 10.165 1.570 208 HA ASP 26 HA ASP 26 -1.511 9.014 3.438 209 HB2 ASP 26 2HB ASP 26 -2.224 11.315 3.857 210 HB3 ASP 26 1HB ASP 26 -0.477 11.162 3.978 Start of MODEL 3 1 H ASN 1 H ASN 1 -1.756 8.825 1.027 2 HA ASN 1 HA ASN 1 -4.166 10.013 0.141 3 HB2 ASN 1 2HB ASN 1 -2.215 8.229 -1.302 4 HB3 ASN 1 1HB ASN 1 -3.512 9.121 -2.088 5 HD21 ASN 1 1HD2 ASN 1 -3.094 11.506 -0.363 6 HD22 ASN 1 2HD2 ASN 1 -1.643 12.220 -0.938 7 HA PRO 2 HA PRO 2 -7.119 6.839 1.095 8 HB2 PRO 2 2HB PRO 2 -8.212 7.902 -1.469 9 HB3 PRO 2 1HB PRO 2 -9.059 7.540 0.041 10 HG2 PRO 2 2HG PRO 2 -8.442 10.034 -0.566 11 HG3 PRO 2 1HG PRO 2 -8.258 9.440 1.094 12 HD2 PRO 2 2HD PRO 2 -6.186 10.059 -0.935 13 HD3 PRO 2 1HD PRO 2 -6.112 10.145 0.833 14 H GLU 3 H GLU 3 -6.327 7.172 -2.387 15 HA GLU 3 HA GLU 3 -7.118 4.584 -3.094 16 HB2 GLU 3 2HB GLU 3 -5.134 6.416 -4.438 17 HB3 GLU 3 1HB GLU 3 -5.712 4.914 -5.141 18 HG2 GLU 3 2HG GLU 3 -7.403 7.304 -4.435 19 HG3 GLU 3 1HG GLU 3 -6.915 6.815 -6.056 20 H LEU 4 H LEU 4 -4.009 5.783 -2.015 21 HA LEU 4 HA LEU 4 -2.633 3.358 -2.522 22 HB2 LEU 4 2HB LEU 4 -1.994 5.803 -0.905 23 HB3 LEU 4 1HB LEU 4 -0.979 4.390 -0.793 24 HG LEU 4 HG LEU 4 0.012 6.000 -2.287 25 HD11 LEU 4 1HD1 LEU 4 -1.049 3.656 -3.834 26 HD12 LEU 4 2HD1 LEU 4 0.376 3.677 -2.796 27 HD13 LEU 4 3HD1 LEU 4 0.342 4.650 -4.263 28 HD21 LEU 4 1HD2 LEU 4 -2.506 5.800 -3.944 29 HD22 LEU 4 2HD2 LEU 4 -1.034 6.648 -4.413 30 HD23 LEU 4 3HD2 LEU 4 -1.974 7.216 -3.036 31 H GLN 5 H GLN 5 -3.939 4.822 0.416 32 HA GLN 5 HA GLN 5 -3.218 2.648 2.056 33 HB2 GLN 5 2HB GLN 5 -5.150 4.905 2.488 34 HB3 GLN 5 1HB GLN 5 -4.860 3.670 3.709 35 HG2 GLN 5 2HG GLN 5 -2.773 5.483 2.512 36 HG3 GLN 5 1HG GLN 5 -3.496 5.649 4.113 37 HE21 GLN 5 1HE2 GLN 5 -0.707 5.191 3.292 38 HE22 GLN 5 2HE2 GLN 5 -0.212 3.743 4.129 39 H ARG 6 H ARG 6 -6.067 3.213 0.163 40 HA ARG 6 HA ARG 6 -7.486 1.016 1.259 41 HB2 ARG 6 2HB ARG 6 -7.842 2.787 -1.084 42 HB3 ARG 6 1HB ARG 6 -8.637 1.221 -1.137 43 HG2 ARG 6 2HG ARG 6 -8.956 3.211 1.098 44 HG3 ARG 6 1HG ARG 6 -10.074 3.048 -0.258 45 HD2 ARG 6 2HD ARG 6 -9.425 0.958 1.836 46 HD3 ARG 6 1HD ARG 6 -10.957 1.788 1.591 47 HE ARG 6 HE ARG 6 -10.598 0.633 -0.788 48 HH11 ARG 6 1HH1 ARG 6 -10.543 -0.742 2.485 49 HH12 ARG 6 2HH1 ARG 6 -10.883 -2.324 1.969 50 HH21 ARG 6 1HH2 ARG 6 -11.059 -1.507 -1.476 51 HH22 ARG 6 2HH2 ARG 6 -11.207 -2.780 -0.350 52 H LYS 7 H LYS 7 -5.218 1.357 -1.403 53 HA LYS 7 HA LYS 7 -5.710 -1.334 -2.122 54 HB2 LYS 7 2HB LYS 7 -3.621 0.579 -3.132 55 HB3 LYS 7 1HB LYS 7 -3.838 -1.064 -3.750 56 HG2 LYS 7 2HG LYS 7 -6.203 -0.527 -4.197 57 HG3 LYS 7 1HG LYS 7 -5.872 1.135 -3.744 58 HD2 LYS 7 2HD LYS 7 -4.309 1.323 -5.585 59 HD3 LYS 7 1HD LYS 7 -4.607 -0.369 -6.022 60 HE2 LYS 7 2HE LYS 7 -6.627 1.865 -5.987 61 HE3 LYS 7 1HE LYS 7 -5.946 1.085 -7.411 62 HZ1 LYS 7 1HZ LYS 7 -8.164 0.219 -6.852 63 HZ2 LYS 7 2HZ LYS 7 -7.606 -0.335 -5.360 64 HZ3 LYS 7 3HZ LYS 7 -6.994 -0.979 -6.775 65 H CYS 8 H CYS 8 -3.652 0.193 0.100 66 HA CYS 8 HA CYS 8 -1.929 -1.953 0.622 67 HB2 CYS 8 2HB CYS 8 -3.221 -0.066 2.613 68 HB3 CYS 8 1HB CYS 8 -1.868 -1.129 2.963 69 H LYS 9 H LYS 9 -5.287 -1.375 1.374 70 HA LYS 9 HA LYS 9 -5.571 -3.656 3.105 71 HB2 LYS 9 2HB LYS 9 -7.676 -1.978 1.719 72 HB3 LYS 9 1HB LYS 9 -7.991 -3.181 2.952 73 HG2 LYS 9 2HG LYS 9 -6.391 -0.658 3.357 74 HG3 LYS 9 1HG LYS 9 -8.082 -0.867 3.799 75 HD2 LYS 9 2HD LYS 9 -5.777 -2.482 4.914 76 HD3 LYS 9 1HD LYS 9 -6.529 -1.113 5.719 77 HE2 LYS 9 2HE LYS 9 -7.891 -3.722 5.001 78 HE3 LYS 9 1HE LYS 9 -7.373 -3.228 6.605 79 HZ1 LYS 9 1HZ LYS 9 -9.486 -1.900 4.975 80 HZ2 LYS 9 2HZ LYS 9 -8.956 -1.376 6.492 81 HZ3 LYS 9 3HZ LYS 9 -9.717 -2.860 6.333 82 H GLU 10 H GLU 10 -6.166 -2.880 -0.273 83 HA GLU 10 HA GLU 10 -7.448 -5.312 -0.938 84 HB2 GLU 10 2HB GLU 10 -5.927 -3.391 -2.716 85 HB3 GLU 10 1HB GLU 10 -6.882 -4.736 -3.310 86 HG2 GLU 10 2HG GLU 10 -8.882 -3.718 -2.221 87 HG3 GLU 10 1HG GLU 10 -7.887 -2.323 -1.812 88 H LEU 11 H LEU 11 -4.070 -4.310 -1.081 89 HA LEU 11 HA LEU 11 -3.222 -6.868 -2.086 90 HB2 LEU 11 2HB LEU 11 -1.741 -4.459 -1.123 91 HB3 LEU 11 1HB LEU 11 -0.923 -5.903 -1.711 92 HG LEU 11 HG LEU 11 -2.746 -4.088 -3.303 93 HD11 LEU 11 1HD1 LEU 11 0.235 -4.511 -3.432 94 HD12 LEU 11 2HD1 LEU 11 -0.587 -3.076 -2.822 95 HD13 LEU 11 3HD1 LEU 11 -0.712 -3.505 -4.527 96 HD21 LEU 11 1HD2 LEU 11 -1.193 -6.540 -4.143 97 HD22 LEU 11 2HD2 LEU 11 -2.024 -5.439 -5.237 98 HD23 LEU 11 3HD2 LEU 11 -2.951 -6.386 -4.080 99 H DAS 12 H DAS 12 -3.365 -5.298 1.063 100 HA DAS 12 HA DAS 12 -2.890 -7.893 2.195 101 HB2 DAS 12 1HB DAS 12 -4.770 -6.622 3.098 102 HB3 DAS 12 2HB DAS 12 -3.687 -5.306 3.536 103 H THR 13 H THR 13 -1.068 -8.503 3.149 104 HA THR 13 HA THR 13 0.945 -6.469 3.654 105 HB THR 13 HB THR 13 2.022 -8.472 4.903 106 HG1 THR 13 1HG THR 13 -0.110 -9.709 5.613 107 HG21 THR 13 1HG2 THR 13 0.980 -6.553 6.047 108 HG22 THR 13 2HG2 THR 13 0.637 -8.058 6.899 109 HG23 THR 13 3HG2 THR 13 -0.598 -7.320 5.878 110 H ARG 14 H ARG 14 -0.054 -8.323 1.273 111 HA ARG 14 HA ARG 14 2.327 -9.727 0.487 112 HB2 ARG 14 2HB ARG 14 -0.305 -9.247 -0.912 113 HB3 ARG 14 1HB ARG 14 0.979 -10.271 -1.535 114 HG2 ARG 14 2HG ARG 14 0.740 -11.787 0.313 115 HG3 ARG 14 1HG ARG 14 -0.428 -10.714 1.091 116 HD2 ARG 14 2HD ARG 14 -0.807 -12.042 -1.592 117 HD3 ARG 14 1HD ARG 14 -1.494 -12.612 -0.075 118 HE ARG 14 HE ARG 14 -2.655 -10.424 0.039 119 HH11 ARG 14 1HH1 ARG 14 -1.649 -11.599 -3.144 120 HH12 ARG 14 2HH1 ARG 14 -2.915 -10.837 -3.972 121 HH21 ARG 14 1HH2 ARG 14 -4.372 -9.400 -1.074 122 HH22 ARG 14 2HH2 ARG 14 -4.525 -9.567 -2.771 123 HA DPR 15 HA DPR 15 3.234 -7.011 -3.126 124 HB2 DPR 15 1HB DPR 15 5.988 -7.892 -2.659 125 HB3 DPR 15 2HB DPR 15 5.000 -8.061 -4.109 126 HG2 DPR 15 1HG DPR 15 5.667 -10.165 -2.548 127 HG3 DPR 15 2HG DPR 15 4.141 -10.092 -3.442 128 HD2 DPR 15 1HD DPR 15 4.660 -9.605 -0.546 129 HD3 DPR 15 2HD DPR 15 3.290 -10.416 -1.333 130 H DGL 16 H DGL 16 4.565 -7.254 0.025 131 HA DGL 16 HA DGL 16 6.279 -5.012 0.026 132 HB2 DGL 16 1HB DGL 16 6.353 -6.809 1.719 133 HB3 DGL 16 2HB DGL 16 4.803 -6.277 2.341 134 HG2 DGL 16 1HG DGL 16 5.764 -4.167 3.028 135 HG3 DGL 16 2HG DGL 16 7.318 -4.629 2.334 136 H DAL 17 H DAL 17 2.857 -5.371 0.299 137 HA DAL 17 HA DAL 17 2.176 -3.015 1.621 138 HB1 DAL 17 1HB DAL 17 0.618 -4.455 -0.511 139 HB2 DAL 17 2HB DAL 17 -0.026 -3.281 0.636 140 HB3 DAL 17 3HB DAL 17 0.593 -4.830 1.212 141 H DGL 18 H DGL 18 2.852 -3.653 -1.777 142 HA DGL 18 HA DGL 18 1.928 -1.272 -2.899 143 HB2 DGL 18 1HB DGL 18 2.661 -3.201 -4.226 144 HB3 DGL 18 2HB DGL 18 4.321 -2.915 -3.732 145 HG2 DGL 18 1HG DGL 18 4.084 -2.037 -5.933 146 HG3 DGL 18 2HG DGL 18 4.167 -0.686 -4.785 147 H DAR 19 H DAR 19 5.108 -2.033 -1.577 148 HA DAR 19 HA DAR 19 6.281 0.507 -2.072 149 HB2 DAR 19 1HB DAR 19 7.670 -1.446 -1.662 150 HB3 DAR 19 2HB DAR 19 6.994 -1.639 -0.054 151 HG2 DAR 19 1HG DAR 19 9.190 -0.701 0.129 152 HG3 DAR 19 2HG DAR 19 8.012 0.527 0.588 153 HD2 DAR 19 1HD DAR 19 8.210 1.586 -1.573 154 HD3 DAR 19 2HD DAR 19 9.313 0.320 -2.114 155 HE DAR 19 HE DAR 19 10.008 1.953 0.218 156 HH11 DAR 19 1HH2 DAR 19 12.158 2.929 0.137 157 HH12 DAR 19 2HH2 DAR 19 13.071 2.867 -1.295 158 HH21 DAR 19 1HH1 DAR 19 10.647 1.047 -3.152 159 HH22 DAR 19 2HH1 DAR 19 12.201 1.745 -3.190 160 H DLY 20 H DLY 20 4.860 -1.028 0.738 161 HA DLY 20 HA DLY 20 5.184 0.956 2.624 162 HB2 DLY 20 1HB DLY 20 4.491 -1.300 3.163 163 HB3 DLY 20 2HB DLY 20 2.978 -1.073 2.305 164 HG2 DLY 20 1HG DLY 20 2.262 0.568 3.935 165 HG3 DLY 20 2HG DLY 20 3.794 0.395 4.796 166 HD2 DLY 20 1HD DLY 20 3.315 -1.936 5.230 167 HD3 DLY 20 2HD DLY 20 1.815 -1.824 4.311 168 HE2 DLY 20 1HE DLY 20 2.429 -0.243 6.795 169 HE3 DLY 20 2HE DLY 20 1.480 -1.722 6.758 170 HZ1 DLY 20 1HZ DLY 20 -0.105 -0.563 5.255 171 HZ2 DLY 20 2HZ DLY 20 0.766 0.867 5.441 172 HZ3 DLY 20 3HZ DLY 20 0.023 0.152 6.750 173 H DCY 21 H DCY 21 2.424 0.445 0.435 174 HA DCY 21 HA DCY 21 0.765 2.470 1.344 175 HB2 DCY 21 1HB DCY 21 1.155 1.321 -1.409 176 HB3 DCY 21 2HB DCY 21 -0.199 2.375 -0.994 177 H DAR 22 H DAR 22 3.190 2.545 -1.214 178 HA DAR 22 HA DAR 22 2.731 5.228 -1.947 179 HB2 DAR 22 1HB DAR 22 5.156 3.494 -2.436 180 HB3 DAR 22 2HB DAR 22 4.807 5.010 -3.252 181 HG2 DAR 22 1HG DAR 22 2.778 4.018 -4.208 182 HG3 DAR 22 2HG DAR 22 3.161 2.497 -3.406 183 HD2 DAR 22 1HD DAR 22 5.263 2.365 -4.658 184 HD3 DAR 22 2HD DAR 22 4.853 3.882 -5.466 185 HE DAR 22 HE DAR 22 3.049 1.590 -5.660 186 HH11 DAR 22 1HH1 DAR 22 5.373 3.734 -7.298 187 HH12 DAR 22 2HH1 DAR 22 4.779 3.387 -8.858 188 HH21 DAR 22 1HH2 DAR 22 2.267 1.145 -7.790 189 HH22 DAR 22 2HH2 DAR 22 2.982 1.880 -9.155 190 H DGL 23 H DGL 23 5.045 3.625 0.127 191 HA DGL 23 HA DGL 23 6.714 5.826 0.622 192 HB2 DGL 23 1HB DGL 23 7.335 3.443 0.771 193 HB3 DGL 23 2HB DGL 23 6.316 3.278 2.182 194 HG2 DGL 23 1HG DGL 23 7.737 4.533 3.522 195 HG3 DGL 23 2HG DGL 23 8.615 5.184 2.136 196 H DGL 24 H DGL 24 4.014 4.407 2.485 197 HA DGL 24 HA DGL 24 4.220 6.224 4.640 198 HB2 DGL 24 1HB DGL 24 1.770 4.776 3.627 199 HB3 DGL 24 2HB DGL 24 1.857 5.653 5.140 200 HG2 DGL 24 1HG DGL 24 3.580 4.105 5.922 201 HG3 DGL 24 2HG DGL 24 3.381 3.173 4.434 202 H SER 25 H SER 25 2.044 6.170 1.839 203 HA SER 25 HA SER 25 1.753 9.030 2.266 204 HB2 SER 25 2HB SER 25 0.645 9.046 -0.012 205 HB3 SER 25 1HB SER 25 2.339 8.578 -0.029 206 HG SER 25 HG SER 25 1.167 6.308 0.154 207 H ASP 26 H ASP 26 -0.214 9.957 2.664 208 HA ASP 26 HA ASP 26 -2.081 8.121 3.943 209 HB2 ASP 26 2HB ASP 26 -1.840 11.132 4.019 210 HB3 ASP 26 1HB ASP 26 -3.159 10.256 4.782 Start of MODEL 4 1 H ASN 1 H ASN 1 -1.700 8.909 0.292 2 HA ASN 1 HA ASN 1 -4.247 9.934 -0.644 3 HB2 ASN 1 2HB ASN 1 -2.258 9.820 -2.160 4 HB3 ASN 1 1HB ASN 1 -2.252 8.073 -1.969 5 HD21 ASN 1 1HD2 ASN 1 -2.471 9.623 -4.392 6 HD22 ASN 1 2HD2 ASN 1 -3.954 9.159 -5.141 7 HA PRO 2 HA PRO 2 -6.348 6.476 1.318 8 HB2 PRO 2 2HB PRO 2 -8.414 7.217 -0.685 9 HB3 PRO 2 1HB PRO 2 -8.560 6.969 1.061 10 HG2 PRO 2 2HG PRO 2 -8.567 9.418 0.043 11 HG3 PRO 2 1HG PRO 2 -7.733 9.061 1.566 12 HD2 PRO 2 2HD PRO 2 -6.594 9.526 -1.152 13 HD3 PRO 2 1HD PRO 2 -5.960 9.980 0.444 14 H GLU 3 H GLU 3 -6.385 6.862 -2.213 15 HA GLU 3 HA GLU 3 -7.195 4.258 -2.875 16 HB2 GLU 3 2HB GLU 3 -7.242 6.050 -4.505 17 HB3 GLU 3 1HB GLU 3 -5.501 6.246 -4.399 18 HG2 GLU 3 2HG GLU 3 -6.170 5.122 -6.455 19 HG3 GLU 3 1HG GLU 3 -5.182 4.076 -5.438 20 H LEU 4 H LEU 4 -4.002 5.655 -2.399 21 HA LEU 4 HA LEU 4 -2.583 3.310 -3.123 22 HB2 LEU 4 2HB LEU 4 -1.744 5.721 -1.532 23 HB3 LEU 4 1HB LEU 4 -0.641 4.501 -2.118 24 HG LEU 4 HG LEU 4 -2.300 6.376 -3.811 25 HD11 LEU 4 1HD1 LEU 4 -0.157 7.326 -4.466 26 HD12 LEU 4 2HD1 LEU 4 0.672 6.250 -3.343 27 HD13 LEU 4 3HD1 LEU 4 -0.424 7.480 -2.733 28 HD21 LEU 4 1HD2 LEU 4 -1.045 5.452 -5.713 29 HD22 LEU 4 2HD2 LEU 4 -2.073 4.247 -4.945 30 HD23 LEU 4 3HD2 LEU 4 -0.332 4.243 -4.645 31 H GLN 5 H GLN 5 -3.632 4.697 -0.080 32 HA GLN 5 HA GLN 5 -2.281 2.829 1.596 33 HB2 GLN 5 2HB GLN 5 -4.673 4.552 2.191 34 HB3 GLN 5 1HB GLN 5 -3.666 3.752 3.386 35 HG2 GLN 5 2HG GLN 5 -1.763 5.114 2.706 36 HG3 GLN 5 1HG GLN 5 -2.760 5.896 1.476 37 HE21 GLN 5 1HE2 GLN 5 -2.005 5.672 4.796 38 HE22 GLN 5 2HE2 GLN 5 -3.016 6.974 5.332 39 H ARG 6 H ARG 6 -5.708 3.100 0.617 40 HA ARG 6 HA ARG 6 -6.556 0.797 2.039 41 HB2 ARG 6 2HB ARG 6 -7.820 2.372 -0.173 42 HB3 ARG 6 1HB ARG 6 -8.587 0.963 0.533 43 HG2 ARG 6 2HG ARG 6 -8.582 2.089 2.722 44 HG3 ARG 6 1HG ARG 6 -7.861 3.515 1.963 45 HD2 ARG 6 2HD ARG 6 -10.352 3.647 2.213 46 HD3 ARG 6 1HD ARG 6 -9.775 3.811 0.553 47 HE ARG 6 HE ARG 6 -10.364 1.122 1.230 48 HH11 ARG 6 1HH1 ARG 6 -12.069 4.109 0.397 49 HH12 ARG 6 2HH1 ARG 6 -13.261 3.337 -0.534 50 HH21 ARG 6 1HH2 ARG 6 -11.953 0.062 -0.103 51 HH22 ARG 6 2HH2 ARG 6 -13.196 0.977 -0.832 52 H LYS 7 H LYS 7 -5.185 1.269 -1.075 53 HA LYS 7 HA LYS 7 -6.033 -0.925 -2.501 54 HB2 LYS 7 2HB LYS 7 -4.614 0.907 -3.332 55 HB3 LYS 7 1HB LYS 7 -3.257 0.244 -2.438 56 HG2 LYS 7 2HG LYS 7 -3.364 -1.786 -3.793 57 HG3 LYS 7 1HG LYS 7 -4.720 -1.112 -4.693 58 HD2 LYS 7 2HD LYS 7 -1.940 0.048 -4.542 59 HD3 LYS 7 1HD LYS 7 -2.614 -0.827 -5.910 60 HE2 LYS 7 2HE LYS 7 -3.595 1.831 -4.825 61 HE3 LYS 7 1HE LYS 7 -2.667 1.584 -6.291 62 HZ1 LYS 7 1HZ LYS 7 -4.564 0.280 -7.184 63 HZ2 LYS 7 2HZ LYS 7 -4.924 1.878 -6.831 64 HZ3 LYS 7 3HZ LYS 7 -5.471 0.693 -5.809 65 H CYS 8 H CYS 8 -3.219 -0.681 -0.346 66 HA CYS 8 HA CYS 8 -2.370 -3.347 -0.576 67 HB2 CYS 8 2HB CYS 8 -2.085 -1.641 1.863 68 HB3 CYS 8 1HB CYS 8 -1.019 -2.918 1.284 69 H LYS 9 H LYS 9 -4.576 -1.731 1.611 70 HA LYS 9 HA LYS 9 -4.846 -3.812 3.464 71 HB2 LYS 9 2HB LYS 9 -6.694 -1.528 2.785 72 HB3 LYS 9 1HB LYS 9 -6.888 -2.585 4.178 73 HG2 LYS 9 2HG LYS 9 -4.760 -1.852 5.076 74 HG3 LYS 9 1HG LYS 9 -4.483 -0.856 3.650 75 HD2 LYS 9 2HD LYS 9 -6.362 0.551 4.200 76 HD3 LYS 9 1HD LYS 9 -6.809 -0.518 5.529 77 HE2 LYS 9 2HE LYS 9 -4.207 1.002 5.371 78 HE3 LYS 9 1HE LYS 9 -5.631 1.557 6.247 79 HZ1 LYS 9 1HZ LYS 9 -4.135 -0.952 6.812 80 HZ2 LYS 9 2HZ LYS 9 -5.506 -0.452 7.603 81 HZ3 LYS 9 3HZ LYS 9 -4.099 0.449 7.748 82 H GLU 10 H GLU 10 -6.609 -3.052 0.527 83 HA GLU 10 HA GLU 10 -8.317 -5.346 0.950 84 HB2 GLU 10 2HB GLU 10 -8.262 -3.238 -1.198 85 HB3 GLU 10 1HB GLU 10 -9.361 -4.615 -1.236 86 HG2 GLU 10 2HG GLU 10 -10.312 -3.945 0.890 87 HG3 GLU 10 1HG GLU 10 -9.187 -2.600 0.981 88 H LEU 11 H LEU 11 -5.379 -4.699 -0.578 89 HA LEU 11 HA LEU 11 -5.518 -6.877 -2.447 90 HB2 LEU 11 2HB LEU 11 -4.157 -4.850 -2.882 91 HB3 LEU 11 1HB LEU 11 -3.172 -5.214 -1.493 92 HG LEU 11 HG LEU 11 -2.109 -5.656 -3.707 93 HD11 LEU 11 1HD1 LEU 11 -1.157 -7.850 -3.150 94 HD12 LEU 11 2HD1 LEU 11 -2.344 -8.003 -1.855 95 HD13 LEU 11 3HD1 LEU 11 -1.146 -6.710 -1.809 96 HD21 LEU 11 1HD2 LEU 11 -4.036 -6.490 -4.918 97 HD22 LEU 11 2HD2 LEU 11 -4.107 -7.906 -3.869 98 HD23 LEU 11 3HD2 LEU 11 -2.730 -7.675 -4.946 99 H DAS 12 H DAS 12 -3.670 -6.274 0.570 100 HA DAS 12 HA DAS 12 -3.051 -9.106 0.693 101 HB2 DAS 12 1HB DAS 12 -5.162 -8.867 1.937 102 HB3 DAS 12 2HB DAS 12 -4.434 -7.608 2.925 103 H THR 13 H THR 13 -1.147 -9.536 1.752 104 HA THR 13 HA THR 13 0.333 -7.219 2.753 105 HB THR 13 HB THR 13 1.593 -9.042 4.104 106 HG1 THR 13 1HG THR 13 -0.670 -10.541 4.265 107 HG21 THR 13 1HG2 THR 13 0.098 -7.396 5.143 108 HG22 THR 13 2HG2 THR 13 -0.081 -8.976 5.909 109 HG23 THR 13 3HG2 THR 13 -1.290 -8.412 4.759 110 H ARG 14 H ARG 14 0.271 -7.830 0.101 111 HA ARG 14 HA ARG 14 2.880 -9.078 -0.448 112 HB2 ARG 14 2HB ARG 14 0.476 -8.696 -2.246 113 HB3 ARG 14 1HB ARG 14 1.989 -9.397 -2.776 114 HG2 ARG 14 2HG ARG 14 0.231 -10.573 -0.622 115 HG3 ARG 14 1HG ARG 14 0.165 -11.042 -2.315 116 HD2 ARG 14 2HD ARG 14 1.471 -12.673 -1.111 117 HD3 ARG 14 1HD ARG 14 2.549 -11.757 -2.150 118 HE ARG 14 HE ARG 14 2.547 -10.589 0.411 119 HH11 ARG 14 1HH1 ARG 14 3.618 -13.621 -1.105 120 HH12 ARG 14 2HH1 ARG 14 4.902 -13.853 -0.024 121 HH21 ARG 14 1HH2 ARG 14 4.358 -10.906 1.861 122 HH22 ARG 14 2HH2 ARG 14 5.326 -12.282 1.690 123 HA DPR 15 HA DPR 15 3.536 -5.305 -3.122 124 HB2 DPR 15 1HB DPR 15 6.333 -6.124 -3.192 125 HB3 DPR 15 2HB DPR 15 5.217 -5.897 -4.540 126 HG2 DPR 15 1HG DPR 15 6.135 -8.332 -3.802 127 HG3 DPR 15 2HG DPR 15 4.527 -8.088 -4.506 128 HD2 DPR 15 1HD DPR 15 5.304 -8.439 -1.642 129 HD3 DPR 15 2HD DPR 15 3.960 -9.178 -2.531 130 H DGL 16 H DGL 16 5.118 -6.645 -0.374 131 HA DGL 16 HA DGL 16 6.790 -4.541 0.437 132 HB2 DGL 16 1HB DGL 16 6.629 -6.910 1.354 133 HB3 DGL 16 2HB DGL 16 5.212 -6.376 2.237 134 HG2 DGL 16 1HG DGL 16 7.137 -6.388 3.676 135 HG3 DGL 16 2HG DGL 16 6.566 -4.735 3.426 136 H DAL 17 H DAL 17 3.390 -5.270 1.018 137 HA DAL 17 HA DAL 17 2.881 -3.102 2.757 138 HB1 DAL 17 1HB DAL 17 1.446 -5.107 2.638 139 HB2 DAL 17 2HB DAL 17 0.925 -4.624 1.021 140 HB3 DAL 17 3HB DAL 17 0.535 -3.618 2.420 141 H DGL 18 H DGL 18 2.350 -3.645 -0.673 142 HA DGL 18 HA DGL 18 1.230 -1.312 -1.585 143 HB2 DGL 18 1HB DGL 18 1.648 -3.238 -2.989 144 HB3 DGL 18 2HB DGL 18 3.378 -3.070 -2.780 145 HG2 DGL 18 1HG DGL 18 2.807 -2.344 -4.972 146 HG3 DGL 18 2HG DGL 18 3.314 -0.967 -3.991 147 H DAR 19 H DAR 19 4.649 -2.021 -1.247 148 HA DAR 19 HA DAR 19 5.694 0.459 -1.996 149 HB2 DAR 19 1HB DAR 19 6.768 -1.737 -0.254 150 HB3 DAR 19 2HB DAR 19 7.712 -0.324 -0.695 151 HG2 DAR 19 1HG DAR 19 7.673 -0.916 -3.004 152 HG3 DAR 19 2HG DAR 19 6.460 -2.161 -2.709 153 HD2 DAR 19 1HD DAR 19 8.826 -2.985 -2.999 154 HD3 DAR 19 2HD DAR 19 7.983 -3.530 -1.551 155 HE DAR 19 HE DAR 19 9.666 -1.171 -1.328 156 HH11 DAR 19 1HH2 DAR 19 11.225 -1.256 0.393 157 HH12 DAR 19 2HH2 DAR 19 11.589 -2.739 1.169 158 HH21 DAR 19 1HH1 DAR 19 9.380 -4.658 -0.855 159 HH22 DAR 19 2HH1 DAR 19 10.441 -4.740 0.463 160 H DLY 20 H DLY 20 4.981 -0.850 1.227 161 HA DLY 20 HA DLY 20 5.906 1.377 2.661 162 HB2 DLY 20 1HB DLY 20 5.448 -0.989 3.500 163 HB3 DLY 20 2HB DLY 20 3.757 -0.552 3.569 164 HG2 DLY 20 1HG DLY 20 5.856 0.945 5.117 165 HG3 DLY 20 2HG DLY 20 5.042 -0.478 5.752 166 HD2 DLY 20 1HD DLY 20 2.877 0.649 5.524 167 HD3 DLY 20 2HD DLY 20 3.708 2.088 4.936 168 HE2 DLY 20 1HE DLY 20 4.870 2.350 7.024 169 HE3 DLY 20 2HE DLY 20 4.244 0.818 7.619 170 HZ1 DLY 20 1HZ DLY 20 3.058 2.836 8.479 171 HZ2 DLY 20 2HZ DLY 20 2.100 1.685 7.773 172 HZ3 DLY 20 3HZ DLY 20 2.432 3.074 6.924 173 H DCY 21 H DCY 21 2.721 0.628 1.302 174 HA DCY 21 HA DCY 21 1.271 2.760 2.434 175 HB2 DCY 21 1HB DCY 21 0.909 1.374 -0.205 176 HB3 DCY 21 2HB DCY 21 -0.267 2.475 0.504 177 H DAR 22 H DAR 22 3.031 2.525 -0.623 178 HA DAR 22 HA DAR 22 2.394 5.223 -1.273 179 HB2 DAR 22 1HB DAR 22 4.221 3.219 -2.557 180 HB3 DAR 22 2HB DAR 22 4.084 4.880 -3.124 181 HG2 DAR 22 1HG DAR 22 1.684 4.548 -3.495 182 HG3 DAR 22 2HG DAR 22 1.830 2.884 -2.935 183 HD2 DAR 22 1HD DAR 22 3.386 3.974 -5.261 184 HD3 DAR 22 2HD DAR 22 1.810 3.209 -5.426 185 HE DAR 22 HE DAR 22 2.715 1.220 -4.556 186 HH11 DAR 22 1HH1 DAR 22 5.101 3.643 -5.604 187 HH12 DAR 22 2HH1 DAR 22 6.357 2.519 -5.866 188 HH21 DAR 22 1HH2 DAR 22 4.495 -0.353 -5.018 189 HH22 DAR 22 2HH2 DAR 22 6.005 0.214 -5.554 190 H DGL 23 H DGL 23 4.843 3.710 0.532 191 HA DGL 23 HA DGL 23 6.733 5.823 0.446 192 HB2 DGL 23 1HB DGL 23 7.331 3.538 1.141 193 HB3 DGL 23 2HB DGL 23 6.280 3.690 2.540 194 HG2 DGL 23 1HG DGL 23 7.690 5.510 3.387 195 HG3 DGL 23 2HG DGL 23 8.769 5.290 2.010 196 H DGL 24 H DGL 24 4.167 4.896 2.750 197 HA DGL 24 HA DGL 24 4.608 7.175 4.395 198 HB2 DGL 24 1HB DGL 24 2.486 6.612 5.538 199 HB3 DGL 24 2HB DGL 24 3.544 5.223 5.400 200 HG2 DGL 24 1HG DGL 24 2.224 4.282 3.653 201 HG3 DGL 24 2HG DGL 24 1.232 5.732 3.548 202 H SER 25 H SER 25 2.295 6.464 1.839 203 HA SER 25 HA SER 25 2.018 9.244 1.251 204 HB2 SER 25 2HB SER 25 2.047 7.512 -0.527 205 HB3 SER 25 1HB SER 25 0.576 6.816 0.141 206 HG SER 25 HG SER 25 0.967 9.164 -1.299 207 H ASP 26 H ASP 26 -0.176 10.210 1.130 208 HA ASP 26 HA ASP 26 -1.908 9.217 3.287 209 HB2 ASP 26 2HB ASP 26 -1.386 12.099 2.479 210 HB3 ASP 26 1HB ASP 26 -2.611 11.603 3.639 Start of MODEL 5 1 H ASN 1 H ASN 1 -1.561 8.910 0.642 2 HA ASN 1 HA ASN 1 -4.145 9.736 0.019 3 HB2 ASN 1 2HB ASN 1 -2.466 7.682 -1.432 4 HB3 ASN 1 1HB ASN 1 -3.885 8.473 -2.102 5 HD21 ASN 1 1HD2 ASN 1 -1.163 8.501 -3.094 6 HD22 ASN 1 2HD2 ASN 1 -0.678 10.153 -3.084 7 HA PRO 2 HA PRO 2 -6.643 6.535 2.038 8 HB2 PRO 2 2HB PRO 2 -8.632 7.820 0.220 9 HB3 PRO 2 1HB PRO 2 -8.779 7.420 1.936 10 HG2 PRO 2 2HG PRO 2 -8.372 9.925 1.204 11 HG3 PRO 2 1HG PRO 2 -7.513 9.258 2.604 12 HD2 PRO 2 2HD PRO 2 -6.505 9.813 -0.149 13 HD3 PRO 2 1HD PRO 2 -5.689 9.991 1.416 14 H GLU 3 H GLU 3 -6.743 7.230 -1.412 15 HA GLU 3 HA GLU 3 -7.994 4.823 -2.203 16 HB2 GLU 3 2HB GLU 3 -7.950 6.859 -3.568 17 HB3 GLU 3 1HB GLU 3 -6.215 6.695 -3.745 18 HG2 GLU 3 2HG GLU 3 -6.466 4.724 -5.047 19 HG3 GLU 3 1HG GLU 3 -8.207 4.694 -4.745 20 H LEU 4 H LEU 4 -4.676 5.705 -1.629 21 HA LEU 4 HA LEU 4 -3.670 3.276 -2.798 22 HB2 LEU 4 2HB LEU 4 -2.382 5.403 -2.815 23 HB3 LEU 4 1HB LEU 4 -2.231 5.284 -1.073 24 HG LEU 4 HG LEU 4 -0.979 3.171 -1.357 25 HD11 LEU 4 1HD1 LEU 4 -0.093 2.596 -3.562 26 HD12 LEU 4 2HD1 LEU 4 -1.108 3.840 -4.290 27 HD13 LEU 4 3HD1 LEU 4 -1.848 2.449 -3.501 28 HD21 LEU 4 1HD2 LEU 4 0.161 5.269 -1.072 29 HD22 LEU 4 2HD2 LEU 4 0.119 5.553 -2.817 30 HD23 LEU 4 3HD2 LEU 4 1.061 4.210 -2.155 31 H GLN 5 H GLN 5 -4.452 4.518 0.371 32 HA GLN 5 HA GLN 5 -3.491 2.397 1.936 33 HB2 GLN 5 2HB GLN 5 -5.904 4.179 2.290 34 HB3 GLN 5 1HB GLN 5 -5.407 3.003 3.494 35 HG2 GLN 5 2HG GLN 5 -3.289 4.154 3.772 36 HG3 GLN 5 1HG GLN 5 -3.738 5.307 2.515 37 HE21 GLN 5 1HE2 GLN 5 -5.132 6.949 3.005 38 HE22 GLN 5 2HE2 GLN 5 -5.712 7.264 4.594 39 H ARG 6 H ARG 6 -6.540 2.873 0.293 40 HA ARG 6 HA ARG 6 -7.798 0.438 0.871 41 HB2 ARG 6 2HB ARG 6 -7.968 2.201 -1.550 42 HB3 ARG 6 1HB ARG 6 -9.007 0.813 -1.291 43 HG2 ARG 6 2HG ARG 6 -9.911 1.834 0.705 44 HG3 ARG 6 1HG ARG 6 -8.824 3.216 0.505 45 HD2 ARG 6 2HD ARG 6 -11.098 3.656 -0.356 46 HD3 ARG 6 1HD ARG 6 -9.849 3.765 -1.598 47 HE ARG 6 HE ARG 6 -11.074 1.185 -1.373 48 HH11 ARG 6 1HH1 ARG 6 -11.249 4.331 -2.975 49 HH12 ARG 6 2HH1 ARG 6 -12.182 3.764 -4.279 50 HH21 ARG 6 1HH2 ARG 6 -12.257 0.401 -3.137 51 HH22 ARG 6 2HH2 ARG 6 -12.774 1.425 -4.396 52 H LYS 7 H LYS 7 -5.592 1.339 -1.712 53 HA LYS 7 HA LYS 7 -5.617 -0.920 -3.314 54 HB2 LYS 7 2HB LYS 7 -4.440 1.160 -3.890 55 HB3 LYS 7 1HB LYS 7 -3.291 0.879 -2.600 56 HG2 LYS 7 2HG LYS 7 -2.270 0.352 -4.711 57 HG3 LYS 7 1HG LYS 7 -2.497 -1.137 -3.796 58 HD2 LYS 7 2HD LYS 7 -4.480 -1.656 -5.099 59 HD3 LYS 7 1HD LYS 7 -4.325 -0.132 -5.972 60 HE2 LYS 7 2HE LYS 7 -3.460 -1.972 -7.312 61 HE3 LYS 7 1HE LYS 7 -2.169 -0.863 -6.867 62 HZ1 LYS 7 1HZ LYS 7 -2.723 -3.415 -5.440 63 HZ2 LYS 7 2HZ LYS 7 -1.336 -2.406 -5.270 64 HZ3 LYS 7 3HZ LYS 7 -1.601 -3.225 -6.679 65 H CYS 8 H CYS 8 -3.436 -0.227 -0.586 66 HA CYS 8 HA CYS 8 -2.202 -2.765 -0.591 67 HB2 CYS 8 2HB CYS 8 -2.463 -0.794 1.659 68 HB3 CYS 8 1HB CYS 8 -1.315 -2.127 1.568 69 H LYS 9 H LYS 9 -4.999 -1.464 1.056 70 HA LYS 9 HA LYS 9 -5.258 -3.505 2.961 71 HB2 LYS 9 2HB LYS 9 -6.343 -1.229 3.025 72 HB3 LYS 9 1HB LYS 9 -7.462 -1.799 1.805 73 HG2 LYS 9 2HG LYS 9 -8.514 -1.919 3.956 74 HG3 LYS 9 1HG LYS 9 -8.232 -3.550 3.355 75 HD2 LYS 9 2HD LYS 9 -7.670 -3.449 5.711 76 HD3 LYS 9 1HD LYS 9 -6.208 -3.700 4.772 77 HE2 LYS 9 2HE LYS 9 -5.612 -1.361 5.003 78 HE3 LYS 9 1HE LYS 9 -7.137 -1.028 5.824 79 HZ1 LYS 9 1HZ LYS 9 -6.413 -2.523 7.613 80 HZ2 LYS 9 2HZ LYS 9 -5.346 -1.247 7.420 81 HZ3 LYS 9 3HZ LYS 9 -4.940 -2.762 6.833 82 H GLU 10 H GLU 10 -6.570 -3.118 -0.309 83 HA GLU 10 HA GLU 10 -7.917 -5.646 -0.091 84 HB2 GLU 10 2HB GLU 10 -8.584 -5.312 -2.453 85 HB3 GLU 10 1HB GLU 10 -9.022 -3.969 -1.414 86 HG2 GLU 10 2HG GLU 10 -7.181 -2.670 -2.266 87 HG3 GLU 10 1HG GLU 10 -6.653 -4.026 -3.259 88 H LEU 11 H LEU 11 -4.869 -4.526 -1.187 89 HA LEU 11 HA LEU 11 -4.176 -6.787 -2.740 90 HB2 LEU 11 2HB LEU 11 -3.018 -4.649 -2.941 91 HB3 LEU 11 1HB LEU 11 -2.450 -4.802 -1.292 92 HG LEU 11 HG LEU 11 -1.104 -6.756 -1.950 93 HD11 LEU 11 1HD1 LEU 11 -0.729 -7.209 -4.330 94 HD12 LEU 11 2HD1 LEU 11 -2.016 -6.074 -4.743 95 HD13 LEU 11 3HD1 LEU 11 -2.388 -7.545 -3.843 96 HD21 LEU 11 1HD2 LEU 11 -0.625 -4.248 -3.540 97 HD22 LEU 11 2HD2 LEU 11 0.575 -5.495 -3.197 98 HD23 LEU 11 3HD2 LEU 11 -0.118 -4.552 -1.878 99 H DAS 12 H DAS 12 -3.628 -5.932 0.687 100 HA DAS 12 HA DAS 12 -2.888 -8.725 1.117 101 HB2 DAS 12 1HB DAS 12 -3.781 -8.651 3.256 102 HB3 DAS 12 2HB DAS 12 -4.888 -7.564 2.439 103 H THR 13 H THR 13 -1.150 -9.024 2.653 104 HA THR 13 HA THR 13 0.502 -6.714 3.197 105 HB THR 13 HB THR 13 0.952 -9.615 3.952 106 HG1 THR 13 1HG THR 13 -0.974 -7.821 4.702 107 HG21 THR 13 1HG2 THR 13 1.819 -7.013 5.249 108 HG22 THR 13 2HG2 THR 13 2.868 -8.061 4.298 109 HG23 THR 13 3HG2 THR 13 2.206 -8.634 5.828 110 H ARG 14 H ARG 14 0.030 -8.306 0.592 111 HA ARG 14 HA ARG 14 2.567 -9.324 -0.217 112 HB2 ARG 14 2HB ARG 14 0.172 -8.530 -1.895 113 HB3 ARG 14 1HB ARG 14 1.540 -9.481 -2.451 114 HG2 ARG 14 2HG ARG 14 0.934 -11.242 -0.805 115 HG3 ARG 14 1HG ARG 14 -0.476 -10.286 -0.360 116 HD2 ARG 14 2HD ARG 14 -1.069 -12.045 -1.932 117 HD3 ARG 14 1HD ARG 14 -1.306 -10.451 -2.652 118 HE ARG 14 HE ARG 14 1.239 -11.244 -3.344 119 HH11 ARG 14 1HH1 ARG 14 -2.030 -12.501 -3.945 120 HH12 ARG 14 2HH1 ARG 14 -1.647 -13.157 -5.455 121 HH21 ARG 14 1HH2 ARG 14 1.758 -12.093 -5.417 122 HH22 ARG 14 2HH2 ARG 14 0.578 -12.891 -6.345 123 HA DPR 15 HA DPR 15 3.715 -5.703 -2.803 124 HB2 DPR 15 1HB DPR 15 6.383 -6.219 -2.884 125 HB3 DPR 15 2HB DPR 15 5.225 -6.996 -3.968 126 HG2 DPR 15 1HG DPR 15 6.520 -8.059 -1.491 127 HG3 DPR 15 2HG DPR 15 6.165 -8.891 -3.012 128 HD2 DPR 15 1HD DPR 15 4.644 -9.123 -0.749 129 HD3 DPR 15 2HD DPR 15 4.010 -9.362 -2.387 130 H DGL 16 H DGL 16 4.681 -6.782 0.269 131 HA DGL 16 HA DGL 16 6.452 -4.753 1.100 132 HB2 DGL 16 1HB DGL 16 6.230 -6.890 2.277 133 HB3 DGL 16 2HB DGL 16 4.586 -6.477 2.734 134 HG2 DGL 16 1HG DGL 16 5.439 -4.578 4.026 135 HG3 DGL 16 2HG DGL 16 7.084 -5.053 3.617 136 H DAL 17 H DAL 17 2.960 -5.161 1.532 137 HA DAL 17 HA DAL 17 2.606 -2.781 3.018 138 HB1 DAL 17 1HB DAL 17 0.227 -3.103 2.659 139 HB2 DAL 17 2HB DAL 17 1.003 -4.620 3.108 140 HB3 DAL 17 3HB DAL 17 0.561 -4.319 1.425 141 H DGL 18 H DGL 18 2.187 -3.606 -0.365 142 HA DGL 18 HA DGL 18 1.242 -1.263 -1.483 143 HB2 DGL 18 1HB DGL 18 1.667 -3.378 -2.698 144 HB3 DGL 18 2HB DGL 18 3.391 -3.113 -2.549 145 HG2 DGL 18 1HG DGL 18 2.865 -2.513 -4.743 146 HG3 DGL 18 2HG DGL 18 3.065 -0.996 -3.869 147 H DAR 19 H DAR 19 4.603 -2.209 -0.973 148 HA DAR 19 HA DAR 19 5.745 0.207 -1.828 149 HB2 DAR 19 1HB DAR 19 7.118 -1.788 -1.757 150 HB3 DAR 19 2HB DAR 19 6.913 -1.920 -0.015 151 HG2 DAR 19 1HG DAR 19 9.115 -1.029 -0.540 152 HG3 DAR 19 2HG DAR 19 8.144 0.199 0.273 153 HD2 DAR 19 1HD DAR 19 7.555 1.086 -2.022 154 HD3 DAR 19 2HD DAR 19 8.794 0.006 -2.653 155 HE DAR 19 HE DAR 19 9.635 1.756 -0.547 156 HH11 DAR 19 1HH2 DAR 19 11.050 3.550 -1.069 157 HH12 DAR 19 2HH2 DAR 19 11.509 3.822 -2.695 158 HH21 DAR 19 1HH1 DAR 19 9.537 1.187 -4.024 159 HH22 DAR 19 2HH1 DAR 19 10.595 2.453 -4.430 160 H DLY 20 H DLY 20 4.829 -0.949 1.360 161 HA DLY 20 HA DLY 20 5.852 1.092 2.961 162 HB2 DLY 20 1HB DLY 20 4.786 -0.968 3.827 163 HB3 DLY 20 2HB DLY 20 3.237 -0.390 3.249 164 HG2 DLY 20 1HG DLY 20 3.433 1.545 4.810 165 HG3 DLY 20 2HG DLY 20 4.907 0.817 5.454 166 HD2 DLY 20 1HD DLY 20 3.117 0.199 6.911 167 HD3 DLY 20 2HD DLY 20 3.565 -1.230 5.986 168 HE2 DLY 20 1HE DLY 20 1.185 -1.142 6.051 169 HE3 DLY 20 2HE DLY 20 1.668 -0.726 4.417 170 HZ1 DLY 20 1HZ DLY 20 1.385 1.693 5.094 171 HZ2 DLY 20 2HZ DLY 20 0.731 1.114 6.539 172 HZ3 DLY 20 3HZ DLY 20 -0.017 0.750 5.092 173 H DCY 21 H DCY 21 2.698 0.809 1.384 174 HA DCY 21 HA DCY 21 1.622 3.249 2.202 175 HB2 DCY 21 1HB DCY 21 1.145 1.635 -0.265 176 HB3 DCY 21 2HB DCY 21 0.089 2.938 0.304 177 H DAR 22 H DAR 22 3.316 2.340 -0.792 178 HA DAR 22 HA DAR 22 3.007 4.905 -1.951 179 HB2 DAR 22 1HB DAR 22 4.911 2.688 -2.680 180 HB3 DAR 22 2HB DAR 22 4.569 4.097 -3.670 181 HG2 DAR 22 1HG DAR 22 2.179 3.376 -3.739 182 HG3 DAR 22 2HG DAR 22 2.658 1.892 -2.914 183 HD2 DAR 22 1HD DAR 22 2.546 1.480 -5.275 184 HD3 DAR 22 2HD DAR 22 4.231 1.424 -4.754 185 HE DAR 22 HE DAR 22 3.474 4.012 -5.596 186 HH11 DAR 22 1HH1 DAR 22 4.439 0.855 -6.875 187 HH12 DAR 22 2HH1 DAR 22 4.991 1.482 -8.362 188 HH21 DAR 22 1HH2 DAR 22 4.242 4.844 -7.658 189 HH22 DAR 22 2HH2 DAR 22 4.876 3.769 -8.822 190 H DGL 23 H DGL 23 5.294 3.602 0.222 191 HA DGL 23 HA DGL 23 7.323 5.574 -0.263 192 HB2 DGL 23 1HB DGL 23 7.723 3.263 0.667 193 HB3 DGL 23 2HB DGL 23 6.920 3.770 2.139 194 HG2 DGL 23 1HG DGL 23 9.221 3.884 2.565 195 HG3 DGL 23 2HG DGL 23 8.663 5.545 2.382 196 H DGL 24 H DGL 24 4.652 5.086 2.022 197 HA DGL 24 HA DGL 24 5.394 7.437 3.529 198 HB2 DGL 24 1HB DGL 24 3.611 6.865 5.058 199 HB3 DGL 24 2HB DGL 24 4.616 5.459 4.748 200 HG2 DGL 24 1HG DGL 24 2.956 4.522 3.288 201 HG3 DGL 24 2HG DGL 24 1.960 5.970 3.421 202 H SER 25 H SER 25 2.835 6.550 1.250 203 HA SER 25 HA SER 25 2.070 9.340 1.079 204 HB2 SER 25 2HB SER 25 1.021 6.922 -0.393 205 HB3 SER 25 1HB SER 25 0.719 8.608 -0.814 206 HG SER 25 HG SER 25 3.256 8.496 -0.727 207 H ASP 26 H ASP 26 0.155 10.138 1.834 208 HA ASP 26 HA ASP 26 -1.275 8.495 3.776 209 HB2 ASP 26 2HB ASP 26 -2.213 10.552 4.613 210 HB3 ASP 26 1HB ASP 26 -0.505 10.816 4.320 Start of MODEL 6 1 H ASN 1 H ASN 1 -1.697 9.764 -0.009 2 HA ASN 1 HA ASN 1 -4.288 10.202 -0.965 3 HB2 ASN 1 2HB ASN 1 -2.222 8.173 -1.866 4 HB3 ASN 1 1HB ASN 1 -3.707 8.521 -2.733 5 HD21 ASN 1 1HD2 ASN 1 -0.894 8.785 -3.534 6 HD22 ASN 1 2HD2 ASN 1 -0.692 10.429 -3.996 7 HA PRO 2 HA PRO 2 -6.246 7.059 1.625 8 HB2 PRO 2 2HB PRO 2 -8.587 7.731 -0.069 9 HB3 PRO 2 1HB PRO 2 -8.437 7.732 1.692 10 HG2 PRO 2 2HG PRO 2 -8.518 10.022 0.352 11 HG3 PRO 2 1HG PRO 2 -7.432 9.821 1.737 12 HD2 PRO 2 2HD PRO 2 -6.808 9.745 -1.186 13 HD3 PRO 2 1HD PRO 2 -5.908 10.494 0.155 14 H GLU 3 H GLU 3 -6.666 7.234 -1.847 15 HA GLU 3 HA GLU 3 -7.674 4.619 -2.255 16 HB2 GLU 3 2HB GLU 3 -6.138 6.404 -4.156 17 HB3 GLU 3 1HB GLU 3 -6.917 4.907 -4.624 18 HG2 GLU 3 2HG GLU 3 -8.261 6.801 -5.282 19 HG3 GLU 3 1HG GLU 3 -9.096 5.871 -4.042 20 H LEU 4 H LEU 4 -4.446 5.950 -2.133 21 HA LEU 4 HA LEU 4 -3.203 3.535 -2.994 22 HB2 LEU 4 2HB LEU 4 -2.273 5.883 -3.327 23 HB3 LEU 4 1HB LEU 4 -1.946 5.898 -1.619 24 HG LEU 4 HG LEU 4 -0.295 4.149 -1.830 25 HD11 LEU 4 1HD1 LEU 4 -1.031 4.111 -4.763 26 HD12 LEU 4 2HD1 LEU 4 -1.334 2.816 -3.600 27 HD13 LEU 4 3HD1 LEU 4 0.317 3.242 -4.033 28 HD21 LEU 4 1HD2 LEU 4 0.031 6.253 -3.960 29 HD22 LEU 4 2HD2 LEU 4 1.332 5.317 -3.225 30 HD23 LEU 4 3HD2 LEU 4 0.396 6.446 -2.247 31 H GLN 5 H GLN 5 -3.967 5.085 0.041 32 HA GLN 5 HA GLN 5 -2.566 3.307 1.751 33 HB2 GLN 5 2HB GLN 5 -5.117 4.823 2.280 34 HB3 GLN 5 1HB GLN 5 -4.116 4.062 3.500 35 HG2 GLN 5 2HG GLN 5 -2.310 5.608 2.989 36 HG3 GLN 5 1HG GLN 5 -3.305 6.355 1.733 37 HE21 GLN 5 1HE2 GLN 5 -2.200 7.548 4.102 38 HE22 GLN 5 2HE2 GLN 5 -3.546 8.114 5.042 39 H ARG 6 H ARG 6 -5.965 3.399 0.679 40 HA ARG 6 HA ARG 6 -6.808 1.062 1.939 41 HB2 ARG 6 2HB ARG 6 -7.779 2.380 -0.571 42 HB3 ARG 6 1HB ARG 6 -8.533 0.940 0.082 43 HG2 ARG 6 2HG ARG 6 -8.810 2.316 2.236 44 HG3 ARG 6 1HG ARG 6 -8.475 3.716 1.203 45 HD2 ARG 6 2HD ARG 6 -10.901 3.212 1.394 46 HD3 ARG 6 1HD ARG 6 -10.302 3.113 -0.269 47 HE ARG 6 HE ARG 6 -10.127 0.648 1.111 48 HH11 ARG 6 1HH1 ARG 6 -12.491 2.629 -0.596 49 HH12 ARG 6 2HH1 ARG 6 -13.358 1.290 -1.221 50 HH21 ARG 6 1HH2 ARG 6 -11.293 -1.179 0.234 51 HH22 ARG 6 2HH2 ARG 6 -12.694 -0.900 -0.694 52 H LYS 7 H LYS 7 -5.138 1.549 -1.038 53 HA LYS 7 HA LYS 7 -5.482 -0.823 -2.395 54 HB2 LYS 7 2HB LYS 7 -4.255 1.287 -3.088 55 HB3 LYS 7 1HB LYS 7 -2.884 0.678 -2.187 56 HG2 LYS 7 2HG LYS 7 -2.818 -1.290 -3.658 57 HG3 LYS 7 1HG LYS 7 -4.164 -0.618 -4.585 58 HD2 LYS 7 2HD LYS 7 -2.740 1.453 -4.895 59 HD3 LYS 7 1HD LYS 7 -1.397 0.516 -4.248 60 HE2 LYS 7 2HE LYS 7 -3.017 -0.139 -6.702 61 HE3 LYS 7 1HE LYS 7 -1.387 0.524 -6.678 62 HZ1 LYS 7 1HZ LYS 7 -2.156 -2.130 -5.594 63 HZ2 LYS 7 2HZ LYS 7 -0.562 -1.524 -5.767 64 HZ3 LYS 7 3HZ LYS 7 -1.508 -1.830 -7.106 65 H CYS 8 H CYS 8 -3.357 -0.077 0.320 66 HA CYS 8 HA CYS 8 -1.721 -2.345 0.314 67 HB2 CYS 8 2HB CYS 8 -2.727 -0.883 2.747 68 HB3 CYS 8 1HB CYS 8 -1.253 -1.830 2.609 69 H LYS 9 H LYS 9 -4.843 -1.726 1.833 70 HA LYS 9 HA LYS 9 -4.858 -4.257 3.219 71 HB2 LYS 9 2HB LYS 9 -7.062 -2.228 2.884 72 HB3 LYS 9 1HB LYS 9 -7.061 -3.570 4.015 73 HG2 LYS 9 2HG LYS 9 -5.153 -1.237 4.047 74 HG3 LYS 9 1HG LYS 9 -6.550 -1.433 5.099 75 HD2 LYS 9 2HD LYS 9 -4.154 -3.288 5.007 76 HD3 LYS 9 1HD LYS 9 -4.414 -2.022 6.200 77 HE2 LYS 9 2HE LYS 9 -6.204 -4.417 5.768 78 HE3 LYS 9 1HE LYS 9 -5.016 -4.236 7.053 79 HZ1 LYS 9 1HZ LYS 9 -7.228 -3.704 7.845 80 HZ2 LYS 9 2HZ LYS 9 -7.422 -2.531 6.668 81 HZ3 LYS 9 3HZ LYS 9 -6.272 -2.320 7.875 82 H GLU 10 H GLU 10 -6.181 -2.876 0.325 83 HA GLU 10 HA GLU 10 -7.938 -5.042 -0.228 84 HB2 GLU 10 2HB GLU 10 -6.727 -3.031 -2.131 85 HB3 GLU 10 1HB GLU 10 -8.091 -4.077 -2.482 86 HG2 GLU 10 2HG GLU 10 -7.996 -1.800 -0.515 87 HG3 GLU 10 1HG GLU 10 -8.881 -1.862 -2.034 88 H LEU 11 H LEU 11 -4.574 -4.391 -0.737 89 HA LEU 11 HA LEU 11 -4.090 -6.567 -2.563 90 HB2 LEU 11 2HB LEU 11 -2.764 -4.340 -2.226 91 HB3 LEU 11 1HB LEU 11 -2.055 -5.148 -0.854 92 HG LEU 11 HG LEU 11 -1.780 -6.000 -3.740 93 HD11 LEU 11 1HD1 LEU 11 0.157 -4.682 -1.861 94 HD12 LEU 11 2HD1 LEU 11 -0.599 -3.958 -3.279 95 HD13 LEU 11 3HD1 LEU 11 0.544 -5.287 -3.469 96 HD21 LEU 11 1HD2 LEU 11 -1.647 -7.926 -2.226 97 HD22 LEU 11 2HD2 LEU 11 -0.420 -7.092 -1.271 98 HD23 LEU 11 3HD2 LEU 11 -0.076 -7.561 -2.936 99 H DAS 12 H DAS 12 -2.964 -5.868 0.754 100 HA DAS 12 HA DAS 12 -2.869 -8.742 1.302 101 HB2 DAS 12 1HB DAS 12 -4.902 -7.870 2.280 102 HB3 DAS 12 2HB DAS 12 -4.018 -6.559 3.048 103 H THR 13 H THR 13 -0.897 -9.304 2.070 104 HA THR 13 HA THR 13 0.749 -7.211 3.295 105 HB THR 13 HB THR 13 1.987 -9.283 4.192 106 HG1 THR 13 1HG THR 13 0.561 -11.122 4.314 107 HG21 THR 13 1HG2 THR 13 0.392 -9.524 6.058 108 HG22 THR 13 2HG2 THR 13 -0.850 -8.725 5.092 109 HG23 THR 13 3HG2 THR 13 0.582 -7.832 5.601 110 H ARG 14 H ARG 14 0.385 -8.924 0.478 111 HA ARG 14 HA ARG 14 3.124 -9.607 -0.055 112 HB2 ARG 14 2HB ARG 14 0.690 -9.555 -1.839 113 HB3 ARG 14 1HB ARG 14 2.248 -10.196 -2.330 114 HG2 ARG 14 2HG ARG 14 0.571 -11.251 -0.052 115 HG3 ARG 14 1HG ARG 14 0.675 -11.974 -1.656 116 HD2 ARG 14 2HD ARG 14 2.959 -11.616 0.286 117 HD3 ARG 14 1HD ARG 14 2.103 -13.122 -0.025 118 HE ARG 14 HE ARG 14 2.885 -12.540 -2.450 119 HH11 ARG 14 1HH1 ARG 14 4.777 -12.333 0.567 120 HH12 ARG 14 2HH1 ARG 14 6.259 -12.709 -0.161 121 HH21 ARG 14 1HH2 ARG 14 4.955 -13.063 -3.453 122 HH22 ARG 14 2HH2 ARG 14 6.360 -13.123 -2.494 123 HA DPR 15 HA DPR 15 3.744 -6.167 -3.127 124 HB2 DPR 15 1HB DPR 15 6.581 -6.888 -2.920 125 HB3 DPR 15 2HB DPR 15 5.558 -6.824 -4.357 126 HG2 DPR 15 1HG DPR 15 6.453 -9.163 -3.347 127 HG3 DPR 15 2HG DPR 15 4.866 -9.019 -4.122 128 HD2 DPR 15 1HD DPR 15 5.543 -9.044 -1.199 129 HD3 DPR 15 2HD DPR 15 4.262 -9.916 -2.060 130 H DGL 16 H DGL 16 5.030 -7.060 -0.108 131 HA DGL 16 HA DGL 16 6.548 -4.784 0.550 132 HB2 DGL 16 1HB DGL 16 6.601 -6.944 1.786 133 HB3 DGL 16 2HB DGL 16 4.981 -6.619 2.380 134 HG2 DGL 16 1HG DGL 16 5.790 -4.668 3.578 135 HG3 DGL 16 2HG DGL 16 7.418 -4.958 2.966 136 H DAL 17 H DAL 17 3.129 -5.571 0.781 137 HA DAL 17 HA DAL 17 2.286 -3.325 2.253 138 HB1 DAL 17 1HB DAL 17 0.761 -4.949 0.221 139 HB2 DAL 17 2HB DAL 17 0.054 -3.837 1.392 140 HB3 DAL 17 3HB DAL 17 0.876 -5.296 1.944 141 H DGL 18 H DGL 18 2.509 -3.974 -1.191 142 HA DGL 18 HA DGL 18 1.468 -1.669 -2.338 143 HB2 DGL 18 1HB DGL 18 2.205 -3.671 -3.587 144 HB3 DGL 18 2HB DGL 18 3.876 -3.280 -3.231 145 HG2 DGL 18 1HG DGL 18 3.442 -2.639 -5.472 146 HG3 DGL 18 2HG DGL 18 3.602 -1.171 -4.512 147 H DAR 19 H DAR 19 4.771 -2.321 -1.312 148 HA DAR 19 HA DAR 19 5.778 0.238 -1.974 149 HB2 DAR 19 1HB DAR 19 6.862 -1.841 -0.081 150 HB3 DAR 19 2HB DAR 19 7.733 -0.396 -0.578 151 HG2 DAR 19 1HG DAR 19 7.656 -1.133 -2.888 152 HG3 DAR 19 2HG DAR 19 6.769 -2.580 -2.409 153 HD2 DAR 19 1HD DAR 19 9.087 -3.102 -2.717 154 HD3 DAR 19 2HD DAR 19 8.666 -3.257 -1.015 155 HE DAR 19 HE DAR 19 9.617 -0.766 -1.137 156 HH11 DAR 19 1HH2 DAR 19 11.872 -0.154 -0.839 157 HH12 DAR 19 2HH2 DAR 19 13.100 -1.242 -1.264 158 HH21 DAR 19 1HH1 DAR 19 10.944 -3.829 -2.363 159 HH22 DAR 19 2HH1 DAR 19 12.566 -3.374 -2.152 160 H DLY 20 H DLY 20 4.597 -1.168 1.039 161 HA DLY 20 HA DLY 20 5.178 1.024 2.682 162 HB2 DLY 20 1HB DLY 20 4.633 -1.229 3.532 163 HB3 DLY 20 2HB DLY 20 2.975 -1.026 2.998 164 HG2 DLY 20 1HG DLY 20 2.609 0.732 4.606 165 HG3 DLY 20 2HG DLY 20 4.309 0.699 5.073 166 HD2 DLY 20 1HD DLY 20 4.067 -1.581 5.892 167 HD3 DLY 20 2HD DLY 20 2.382 -1.607 5.377 168 HE2 DLY 20 1HE DLY 20 3.495 0.319 7.409 169 HE3 DLY 20 2HE DLY 20 2.712 -1.201 7.823 170 HZ1 DLY 20 1HZ DLY 20 0.690 -0.421 6.769 171 HZ2 DLY 20 2HZ DLY 20 1.409 1.037 6.344 172 HZ3 DLY 20 3HZ DLY 20 1.175 0.666 7.963 173 H DCY 21 H DCY 21 2.357 0.329 0.670 174 HA DCY 21 HA DCY 21 0.627 2.381 1.395 175 HB2 DCY 21 1HB DCY 21 1.209 1.361 -1.404 176 HB3 DCY 21 2HB DCY 21 -0.226 2.258 -0.923 177 H DAR 22 H DAR 22 3.270 2.378 -0.900 178 HA DAR 22 HA DAR 22 2.853 5.118 -1.670 179 HB2 DAR 22 1HB DAR 22 5.058 3.196 -2.427 180 HB3 DAR 22 2HB DAR 22 4.658 4.705 -3.245 181 HG2 DAR 22 1HG DAR 22 2.473 3.797 -3.846 182 HG3 DAR 22 2HG DAR 22 2.847 2.305 -2.999 183 HD2 DAR 22 1HD DAR 22 4.725 1.935 -4.534 184 HD3 DAR 22 2HD DAR 22 4.231 3.374 -5.431 185 HE DAR 22 HE DAR 22 2.445 1.058 -5.028 186 HH11 DAR 22 1HH1 DAR 22 3.910 3.422 -7.235 187 HH12 DAR 22 2HH1 DAR 22 2.992 2.883 -8.571 188 HH21 DAR 22 1HH2 DAR 22 1.316 0.355 -6.781 189 HH22 DAR 22 2HH2 DAR 22 1.501 1.065 -8.341 190 H DGL 23 H DGL 23 4.672 3.427 0.647 191 HA DGL 23 HA DGL 23 6.649 5.467 1.026 192 HB2 DGL 23 1HB DGL 23 6.865 2.984 1.612 193 HB3 DGL 23 2HB DGL 23 5.827 3.323 2.987 194 HG2 DGL 23 1HG DGL 23 8.109 3.320 3.705 195 HG3 DGL 23 2HG DGL 23 7.475 4.965 3.790 196 H DGL 24 H DGL 24 3.686 4.385 2.700 197 HA DGL 24 HA DGL 24 3.700 6.378 4.670 198 HB2 DGL 24 1HB DGL 24 1.425 4.744 3.567 199 HB3 DGL 24 2HB DGL 24 1.244 5.854 4.912 200 HG2 DGL 24 1HG DGL 24 2.861 4.574 6.204 201 HG3 DGL 24 2HG DGL 24 3.050 3.457 4.852 202 H SER 25 H SER 25 1.544 6.171 1.825 203 HA SER 25 HA SER 25 1.880 8.985 1.380 204 HB2 SER 25 2HB SER 25 0.255 8.598 -0.475 205 HB3 SER 25 1HB SER 25 1.659 7.530 -0.530 206 HG SER 25 HG SER 25 0.430 5.849 0.135 207 H ASP 26 H ASP 26 -0.071 10.414 1.101 208 HA ASP 26 HA ASP 26 -1.909 10.089 3.354 209 HB2 ASP 26 2HB ASP 26 -0.725 12.281 3.049 210 HB3 ASP 26 1HB ASP 26 -1.511 12.462 1.491 Start of MODEL 7 1 H ASN 1 H ASN 1 -1.327 8.261 0.644 2 HA ASN 1 HA ASN 1 -3.339 9.406 -0.873 3 HB2 ASN 1 2HB ASN 1 -1.490 7.110 -1.492 4 HB3 ASN 1 1HB ASN 1 -2.529 7.854 -2.695 5 HD21 ASN 1 1HD2 ASN 1 -0.703 8.443 -3.907 6 HD22 ASN 1 2HD2 ASN 1 0.323 9.733 -3.416 7 HA PRO 2 HA PRO 2 -6.935 6.964 -0.098 8 HB2 PRO 2 2HB PRO 2 -8.068 7.339 -2.643 9 HB3 PRO 2 1HB PRO 2 -8.306 8.370 -1.231 10 HG2 PRO 2 2HG PRO 2 -6.469 8.706 -3.542 11 HG3 PRO 2 1HG PRO 2 -7.341 9.933 -2.608 12 HD2 PRO 2 2HD PRO 2 -4.728 9.524 -2.304 13 HD3 PRO 2 1HD PRO 2 -5.757 9.947 -0.917 14 H GLU 3 H GLU 3 -5.576 6.485 -3.390 15 HA GLU 3 HA GLU 3 -6.685 3.941 -3.803 16 HB2 GLU 3 2HB GLU 3 -4.163 5.130 -4.961 17 HB3 GLU 3 1HB GLU 3 -4.941 3.674 -5.546 18 HG2 GLU 3 2HG GLU 3 -6.120 6.442 -5.560 19 HG3 GLU 3 1HG GLU 3 -5.473 5.572 -6.952 20 H LEU 4 H LEU 4 -3.569 4.943 -2.558 21 HA LEU 4 HA LEU 4 -2.438 2.401 -2.352 22 HB2 LEU 4 2HB LEU 4 -1.803 5.018 -1.048 23 HB3 LEU 4 1HB LEU 4 -0.975 3.567 -0.550 24 HG LEU 4 HG LEU 4 0.392 4.826 -2.099 25 HD11 LEU 4 1HD1 LEU 4 0.602 2.426 -2.140 26 HD12 LEU 4 2HD1 LEU 4 0.887 3.114 -3.735 27 HD13 LEU 4 3HD1 LEU 4 -0.643 2.314 -3.386 28 HD21 LEU 4 1HD2 LEU 4 -1.339 6.008 -3.357 29 HD22 LEU 4 2HD2 LEU 4 -1.847 4.491 -4.101 30 HD23 LEU 4 3HD2 LEU 4 -0.249 5.153 -4.448 31 H GLN 5 H GLN 5 -3.939 4.391 0.187 32 HA GLN 5 HA GLN 5 -3.502 2.585 2.274 33 HB2 GLN 5 2HB GLN 5 -5.769 4.562 2.057 34 HB3 GLN 5 1HB GLN 5 -5.224 3.780 3.533 35 HG2 GLN 5 2HG GLN 5 -3.692 5.744 1.848 36 HG3 GLN 5 1HG GLN 5 -4.380 6.023 3.442 37 HE21 GLN 5 1HE2 GLN 5 -3.494 3.397 4.478 38 HE22 GLN 5 2HE2 GLN 5 -1.797 3.535 4.678 39 H ARG 6 H ARG 6 -6.027 2.608 -0.090 40 HA ARG 6 HA ARG 6 -7.536 0.599 1.330 41 HB2 ARG 6 2HB ARG 6 -7.859 1.781 -1.410 42 HB3 ARG 6 1HB ARG 6 -8.917 0.548 -0.746 43 HG2 ARG 6 2HG ARG 6 -9.563 2.055 1.051 44 HG3 ARG 6 1HG ARG 6 -8.482 3.294 0.400 45 HD2 ARG 6 2HD ARG 6 -10.778 3.677 -0.308 46 HD3 ARG 6 1HD ARG 6 -9.725 3.302 -1.672 47 HE ARG 6 HE ARG 6 -11.321 1.185 -0.452 48 HH11 ARG 6 1HH1 ARG 6 -10.583 3.200 -3.261 49 HH12 ARG 6 2HH1 ARG 6 -11.611 2.374 -4.334 50 HH21 ARG 6 1HH2 ARG 6 -12.723 0.033 -1.897 51 HH22 ARG 6 2HH2 ARG 6 -12.852 0.489 -3.532 52 H LYS 7 H LYS 7 -5.456 0.771 -1.536 53 HA LYS 7 HA LYS 7 -5.980 -1.904 -2.209 54 HB2 LYS 7 2HB LYS 7 -5.335 -0.176 -3.868 55 HB3 LYS 7 1HB LYS 7 -3.716 -0.163 -3.191 56 HG2 LYS 7 2HG LYS 7 -3.162 -2.196 -4.123 57 HG3 LYS 7 1HG LYS 7 -4.840 -2.742 -4.190 58 HD2 LYS 7 2HD LYS 7 -4.045 -2.281 -6.435 59 HD3 LYS 7 1HD LYS 7 -5.282 -1.117 -5.989 60 HE2 LYS 7 2HE LYS 7 -3.610 0.130 -7.074 61 HE3 LYS 7 1HE LYS 7 -3.375 0.443 -5.359 62 HZ1 LYS 7 1HZ LYS 7 -1.284 0.048 -6.428 63 HZ2 LYS 7 2HZ LYS 7 -1.815 -1.392 -7.070 64 HZ3 LYS 7 3HZ LYS 7 -1.536 -1.292 -5.433 65 H CYS 8 H CYS 8 -3.624 -0.433 -0.123 66 HA CYS 8 HA CYS 8 -1.853 -2.581 0.163 67 HB2 CYS 8 2HB CYS 8 -2.811 -0.646 2.291 68 HB3 CYS 8 1HB CYS 8 -1.386 -1.674 2.415 69 H LYS 9 H LYS 9 -4.873 -1.861 1.871 70 HA LYS 9 HA LYS 9 -4.726 -4.264 3.412 71 HB2 LYS 9 2HB LYS 9 -6.955 -2.251 3.080 72 HB3 LYS 9 1HB LYS 9 -6.935 -3.551 4.269 73 HG2 LYS 9 2HG LYS 9 -4.952 -2.584 5.309 74 HG3 LYS 9 1HG LYS 9 -4.937 -1.304 4.101 75 HD2 LYS 9 2HD LYS 9 -7.103 -0.516 4.903 76 HD3 LYS 9 1HD LYS 9 -7.140 -1.815 6.097 77 HE2 LYS 9 2HE LYS 9 -5.098 -0.916 7.129 78 HE3 LYS 9 1HE LYS 9 -5.075 0.370 5.928 79 HZ1 LYS 9 1HZ LYS 9 -7.240 -0.038 7.922 80 HZ2 LYS 9 2HZ LYS 9 -7.149 1.196 6.798 81 HZ3 LYS 9 3HZ LYS 9 -6.013 1.112 8.028 82 H GLU 10 H GLU 10 -6.004 -3.341 0.373 83 HA GLU 10 HA GLU 10 -7.879 -5.442 0.052 84 HB2 GLU 10 2HB GLU 10 -7.793 -3.247 -1.200 85 HB3 GLU 10 1HB GLU 10 -6.385 -3.878 -2.039 86 HG2 GLU 10 2HG GLU 10 -8.333 -4.080 -3.409 87 HG3 GLU 10 1HG GLU 10 -7.734 -5.675 -2.945 88 H LEU 11 H LEU 11 -4.441 -4.977 -0.624 89 HA LEU 11 HA LEU 11 -4.231 -7.602 -1.875 90 HB2 LEU 11 2HB LEU 11 -2.157 -5.472 -1.415 91 HB3 LEU 11 1HB LEU 11 -1.868 -6.978 -2.260 92 HG LEU 11 HG LEU 11 -3.678 -4.736 -3.150 93 HD11 LEU 11 1HD1 LEU 11 -2.068 -4.508 -4.971 94 HD12 LEU 11 2HD1 LEU 11 -1.066 -5.759 -4.233 95 HD13 LEU 11 3HD1 LEU 11 -1.328 -4.230 -3.396 96 HD21 LEU 11 1HD2 LEU 11 -3.946 -6.034 -5.216 97 HD22 LEU 11 2HD2 LEU 11 -4.613 -6.881 -3.823 98 HD23 LEU 11 3HD2 LEU 11 -3.051 -7.365 -4.487 99 H DAS 12 H DAS 12 -3.843 -6.197 1.188 100 HA DAS 12 HA DAS 12 -2.949 -8.781 2.141 101 HB2 DAS 12 1HB DAS 12 -4.900 -7.821 3.257 102 HB3 DAS 12 2HB DAS 12 -3.971 -6.386 3.675 103 H THR 13 H THR 13 -0.889 -9.032 2.143 104 HA THR 13 HA THR 13 0.796 -6.808 3.046 105 HB THR 13 HB THR 13 0.840 -8.876 4.483 106 HG1 THR 13 1HG THR 13 2.648 -7.578 4.485 107 HG21 THR 13 1HG2 THR 13 2.006 -10.880 3.668 108 HG22 THR 13 2HG2 THR 13 2.122 -10.156 2.065 109 HG23 THR 13 3HG2 THR 13 0.545 -10.569 2.728 110 H ARG 14 H ARG 14 -0.274 -8.226 0.330 111 HA ARG 14 HA ARG 14 2.205 -8.667 -1.034 112 HB2 ARG 14 2HB ARG 14 -0.665 -8.799 -1.993 113 HB3 ARG 14 1HB ARG 14 0.699 -8.994 -3.080 114 HG2 ARG 14 2HG ARG 14 -0.067 -11.174 -2.515 115 HG3 ARG 14 1HG ARG 14 1.450 -10.914 -1.658 116 HD2 ARG 14 2HD ARG 14 0.137 -10.294 0.349 117 HD3 ARG 14 1HD ARG 14 -1.330 -10.726 -0.513 118 HE ARG 14 HE ARG 14 0.833 -12.653 -0.051 119 HH11 ARG 14 1HH1 ARG 14 -2.620 -11.856 0.017 120 HH12 ARG 14 2HH1 ARG 14 -3.083 -13.269 0.831 121 HH21 ARG 14 1HH2 ARG 14 0.189 -14.633 1.069 122 HH22 ARG 14 2HH2 ARG 14 -1.441 -14.886 1.451 123 HA DPR 15 HA DPR 15 1.931 -4.819 -3.507 124 HB2 DPR 15 1HB DPR 15 4.617 -5.423 -4.405 125 HB3 DPR 15 2HB DPR 15 3.153 -5.307 -5.381 126 HG2 DPR 15 1HG DPR 15 4.501 -7.641 -4.964 127 HG3 DPR 15 2HG DPR 15 2.759 -7.571 -5.275 128 HD2 DPR 15 1HD DPR 15 4.206 -7.856 -2.673 129 HD3 DPR 15 2HD DPR 15 2.758 -8.706 -3.253 130 H DGL 16 H DGL 16 3.851 -6.253 -1.182 131 HA DGL 16 HA DGL 16 5.755 -4.190 -0.690 132 HB2 DGL 16 1HB DGL 16 6.063 -6.605 -0.123 133 HB3 DGL 16 2HB DGL 16 4.796 -6.451 1.077 134 HG2 DGL 16 1HG DGL 16 7.014 -6.425 2.070 135 HG3 DGL 16 2HG DGL 16 6.120 -4.939 2.373 136 H DAL 17 H DAL 17 2.537 -4.991 0.280 137 HA DAL 17 HA DAL 17 2.195 -3.368 2.529 138 HB1 DAL 17 1HB DAL 17 0.222 -4.147 0.386 139 HB2 DAL 17 2HB DAL 17 -0.196 -3.492 1.965 140 HB3 DAL 17 3HB DAL 17 0.587 -5.069 1.842 141 H DGL 18 H DGL 18 1.288 -2.763 -0.848 142 HA DGL 18 HA DGL 18 0.663 -0.057 -0.418 143 HB2 DGL 18 1HB DGL 18 0.694 0.164 -2.892 144 HB3 DGL 18 2HB DGL 18 -0.328 -1.131 -2.288 145 HG2 DGL 18 1HG DGL 18 1.279 -2.770 -2.893 146 HG3 DGL 18 2HG DGL 18 2.452 -1.527 -3.327 147 H DAR 19 H DAR 19 3.613 -1.652 -1.160 148 HA DAR 19 HA DAR 19 5.159 0.555 -1.953 149 HB2 DAR 19 1HB DAR 19 5.915 -1.763 -2.178 150 HB3 DAR 19 2HB DAR 19 5.961 -1.927 -0.430 151 HG2 DAR 19 1HG DAR 19 7.701 -0.207 -0.332 152 HG3 DAR 19 2HG DAR 19 7.694 -0.136 -2.097 153 HD2 DAR 19 1HD DAR 19 8.347 -2.452 -2.228 154 HD3 DAR 19 2HD DAR 19 8.266 -2.598 -0.471 155 HE DAR 19 HE DAR 19 10.060 -0.616 -1.621 156 HH11 DAR 19 1HH2 DAR 19 12.241 -0.753 -0.997 157 HH12 DAR 19 2HH2 DAR 19 12.848 -2.088 -0.135 158 HH21 DAR 19 1HH1 DAR 19 9.670 -3.729 0.051 159 HH22 DAR 19 2HH1 DAR 19 11.307 -3.833 0.501 160 H DLY 20 H DLY 20 4.493 -0.875 1.224 161 HA DLY 20 HA DLY 20 6.043 0.905 2.751 162 HB2 DLY 20 1HB DLY 20 5.198 -1.321 3.528 163 HB3 DLY 20 2HB DLY 20 3.586 -0.639 3.610 164 HG2 DLY 20 1HG DLY 20 4.458 -0.641 5.822 165 HG3 DLY 20 2HG DLY 20 4.476 1.034 5.266 166 HD2 DLY 20 1HD DLY 20 6.873 0.758 4.662 167 HD3 DLY 20 2HD DLY 20 6.828 -0.857 5.363 168 HE2 DLY 20 1HE DLY 20 7.750 0.590 6.995 169 HE3 DLY 20 2HE DLY 20 6.122 0.180 7.519 170 HZ1 DLY 20 1HZ DLY 20 6.585 2.547 7.793 171 HZ2 DLY 20 2HZ DLY 20 5.366 2.380 6.649 172 HZ3 DLY 20 3HZ DLY 20 6.964 2.661 6.167 173 H DCY 21 H DCY 21 2.662 0.910 1.735 174 HA DCY 21 HA DCY 21 1.938 3.230 3.168 175 HB2 DCY 21 1HB DCY 21 0.749 2.245 0.578 176 HB3 DCY 21 2HB DCY 21 0.008 3.383 1.693 177 H DAR 22 H DAR 22 3.016 2.834 -0.242 178 HA DAR 22 HA DAR 22 2.844 5.621 -0.768 179 HB2 DAR 22 1HB DAR 22 3.907 5.195 -2.893 180 HB3 DAR 22 2HB DAR 22 2.716 3.949 -2.580 181 HG2 DAR 22 1HG DAR 22 4.551 2.462 -1.842 182 HG3 DAR 22 2HG DAR 22 5.698 3.691 -2.382 183 HD2 DAR 22 1HD DAR 22 4.703 3.575 -4.641 184 HD3 DAR 22 2HD DAR 22 3.641 2.285 -4.085 185 HE DAR 22 HE DAR 22 6.526 1.939 -3.850 186 HH11 DAR 22 1HH1 DAR 22 3.513 1.015 -5.504 187 HH12 DAR 22 2HH1 DAR 22 4.184 -0.343 -6.261 188 HH21 DAR 22 1HH2 DAR 22 7.443 0.038 -4.933 189 HH22 DAR 22 2HH2 DAR 22 6.453 -0.916 -5.911 190 H DGL 23 H DGL 23 5.214 3.746 0.777 191 HA DGL 23 HA DGL 23 7.496 5.317 0.554 192 HB2 DGL 23 1HB DGL 23 7.439 3.155 1.676 193 HB3 DGL 23 2HB DGL 23 6.360 3.793 2.895 194 HG2 DGL 23 1HG DGL 23 8.112 5.273 3.694 195 HG3 DGL 23 2HG DGL 23 9.212 4.606 2.487 196 H DGL 24 H DGL 24 4.697 5.672 2.632 197 HA DGL 24 HA DGL 24 5.830 8.146 3.721 198 HB2 DGL 24 1HB DGL 24 4.168 7.688 5.615 199 HB3 DGL 24 2HB DGL 24 5.614 6.698 5.506 200 HG2 DGL 24 1HG DGL 24 4.242 4.985 4.309 201 HG3 DGL 24 2HG DGL 24 2.819 5.954 4.670 202 H SER 25 H SER 25 3.011 6.803 2.190 203 HA SER 25 HA SER 25 2.062 9.505 1.715 204 HB2 SER 25 2HB SER 25 1.272 6.875 0.462 205 HB3 SER 25 1HB SER 25 0.783 8.479 -0.078 206 HG SER 25 HG SER 25 3.248 8.755 -0.112 207 H ASP 26 H ASP 26 -0.382 9.656 1.601 208 HA ASP 26 HA ASP 26 -1.845 7.912 3.478 209 HB2 ASP 26 2HB ASP 26 -3.081 9.865 4.315 210 HB3 ASP 26 1HB ASP 26 -1.361 10.129 4.564 Start of MODEL 8 1 H ASN 1 H ASN 1 -1.519 8.860 1.007 2 HA ASN 1 HA ASN 1 -3.999 9.612 0.068 3 HB2 ASN 1 2HB ASN 1 -1.949 7.821 -1.217 4 HB3 ASN 1 1HB ASN 1 -3.353 8.459 -2.059 5 HD21 ASN 1 1HD2 ASN 1 -3.436 10.657 -2.528 6 HD22 ASN 1 2HD2 ASN 1 -2.039 11.650 -2.494 7 HA PRO 2 HA PRO 2 -6.559 6.324 1.496 8 HB2 PRO 2 2HB PRO 2 -8.732 6.900 -0.125 9 HB3 PRO 2 1HB PRO 2 -8.391 7.657 1.432 10 HG2 PRO 2 2HG PRO 2 -7.815 8.645 -1.324 11 HG3 PRO 2 1HG PRO 2 -8.365 9.549 0.098 12 HD2 PRO 2 2HD PRO 2 -5.829 9.636 -0.731 13 HD3 PRO 2 1HD PRO 2 -6.233 9.664 0.999 14 H GLU 3 H GLU 3 -6.444 6.804 -2.054 15 HA GLU 3 HA GLU 3 -7.307 4.105 -2.405 16 HB2 GLU 3 2HB GLU 3 -6.445 6.111 -4.478 17 HB3 GLU 3 1HB GLU 3 -7.071 4.507 -4.827 18 HG2 GLU 3 2HG GLU 3 -8.536 6.747 -3.448 19 HG3 GLU 3 1HG GLU 3 -8.850 6.100 -5.058 20 H LEU 4 H LEU 4 -4.323 5.555 -2.003 21 HA LEU 4 HA LEU 4 -2.822 3.399 -3.165 22 HB2 LEU 4 2HB LEU 4 -2.157 5.683 -1.362 23 HB3 LEU 4 1HB LEU 4 -1.043 4.345 -1.396 24 HG LEU 4 HG LEU 4 -0.763 4.702 -3.853 25 HD11 LEU 4 1HD1 LEU 4 -2.377 7.196 -3.398 26 HD12 LEU 4 2HD1 LEU 4 -2.891 5.785 -4.315 27 HD13 LEU 4 3HD1 LEU 4 -1.527 6.753 -4.879 28 HD21 LEU 4 1HD2 LEU 4 -0.165 7.090 -2.118 29 HD22 LEU 4 2HD2 LEU 4 0.614 6.698 -3.651 30 HD23 LEU 4 3HD2 LEU 4 0.813 5.632 -2.260 31 H GLN 5 H GLN 5 -3.899 4.319 0.036 32 HA GLN 5 HA GLN 5 -2.945 1.996 1.343 33 HB2 GLN 5 2HB GLN 5 -5.157 3.886 2.154 34 HB3 GLN 5 1HB GLN 5 -4.355 2.735 3.216 35 HG2 GLN 5 2HG GLN 5 -2.237 3.914 2.909 36 HG3 GLN 5 1HG GLN 5 -3.027 5.056 1.828 37 HE21 GLN 5 1HE2 GLN 5 -5.459 5.115 3.528 38 HE22 GLN 5 2HE2 GLN 5 -5.018 6.064 4.892 39 H ARG 6 H ARG 6 -5.848 2.755 -0.408 40 HA ARG 6 HA ARG 6 -7.576 0.703 0.312 41 HB2 ARG 6 2HB ARG 6 -7.971 2.671 -1.217 42 HB3 ARG 6 1HB ARG 6 -7.180 1.744 -2.491 43 HG2 ARG 6 2HG ARG 6 -9.465 1.426 -2.824 44 HG3 ARG 6 1HG ARG 6 -8.946 -0.041 -1.980 45 HD2 ARG 6 2HD ARG 6 -10.993 0.803 -1.017 46 HD3 ARG 6 1HD ARG 6 -9.677 0.955 0.145 47 HE ARG 6 HE ARG 6 -10.005 3.318 -1.444 48 HH11 ARG 6 1HH1 ARG 6 -11.287 1.701 1.439 49 HH12 ARG 6 2HH1 ARG 6 -11.811 3.163 2.135 50 HH21 ARG 6 1HH2 ARG 6 -10.702 5.197 -0.532 51 HH22 ARG 6 2HH2 ARG 6 -11.468 5.221 1.016 52 H LYS 7 H LYS 7 -5.012 0.832 -2.108 53 HA LYS 7 HA LYS 7 -5.415 -1.815 -3.040 54 HB2 LYS 7 2HB LYS 7 -3.057 0.053 -3.347 55 HB3 LYS 7 1HB LYS 7 -3.154 -1.522 -4.122 56 HG2 LYS 7 2HG LYS 7 -5.088 0.755 -4.549 57 HG3 LYS 7 1HG LYS 7 -3.789 0.293 -5.653 58 HD2 LYS 7 2HD LYS 7 -4.811 -1.876 -6.006 59 HD3 LYS 7 1HD LYS 7 -6.050 -1.533 -4.810 60 HE2 LYS 7 2HE LYS 7 -6.807 0.354 -6.250 61 HE3 LYS 7 1HE LYS 7 -5.672 -0.211 -7.477 62 HZ1 LYS 7 1HZ LYS 7 -7.953 -1.082 -7.773 63 HZ2 LYS 7 2HZ LYS 7 -7.791 -1.895 -6.286 64 HZ3 LYS 7 3HZ LYS 7 -6.805 -2.298 -7.583 65 H CYS 8 H CYS 8 -3.537 -0.428 -0.513 66 HA CYS 8 HA CYS 8 -2.056 -2.764 0.091 67 HB2 CYS 8 2HB CYS 8 -2.879 -0.515 1.908 68 HB3 CYS 8 1HB CYS 8 -1.547 -1.643 2.171 69 H LYS 9 H LYS 9 -5.202 -1.533 0.936 70 HA LYS 9 HA LYS 9 -5.756 -3.408 2.980 71 HB2 LYS 9 2HB LYS 9 -6.941 -1.222 2.652 72 HB3 LYS 9 1HB LYS 9 -7.671 -1.882 1.204 73 HG2 LYS 9 2HG LYS 9 -8.844 -3.535 2.515 74 HG3 LYS 9 1HG LYS 9 -8.074 -2.944 3.989 75 HD2 LYS 9 2HD LYS 9 -9.116 -0.753 3.655 76 HD3 LYS 9 1HD LYS 9 -9.889 -1.346 2.185 77 HE2 LYS 9 2HE LYS 9 -11.444 -1.358 4.074 78 HE3 LYS 9 1HE LYS 9 -11.132 -2.991 3.493 79 HZ1 LYS 9 1HZ LYS 9 -9.787 -1.764 5.842 80 HZ2 LYS 9 2HZ LYS 9 -9.691 -3.384 5.373 81 HZ3 LYS 9 3HZ LYS 9 -11.127 -2.754 5.934 82 H GLU 10 H GLU 10 -6.208 -3.316 -0.494 83 HA GLU 10 HA GLU 10 -7.611 -5.789 -0.693 84 HB2 GLU 10 2HB GLU 10 -5.961 -4.332 -2.782 85 HB3 GLU 10 1HB GLU 10 -7.016 -5.697 -3.113 86 HG2 GLU 10 2HG GLU 10 -8.932 -4.350 -2.312 87 HG3 GLU 10 1HG GLU 10 -7.848 -2.975 -2.126 88 H LEU 11 H LEU 11 -4.209 -4.905 -1.087 89 HA LEU 11 HA LEU 11 -3.333 -7.553 -1.649 90 HB2 LEU 11 2HB LEU 11 -1.819 -5.100 -0.831 91 HB3 LEU 11 1HB LEU 11 -1.062 -6.600 -1.324 92 HG LEU 11 HG LEU 11 -2.792 -4.834 -3.057 93 HD11 LEU 11 1HD1 LEU 11 0.179 -5.326 -3.067 94 HD12 LEU 11 2HD1 LEU 11 -0.632 -3.843 -2.563 95 HD13 LEU 11 3HD1 LEU 11 -0.713 -4.365 -4.246 96 HD21 LEU 11 1HD2 LEU 11 -3.013 -7.177 -3.692 97 HD22 LEU 11 2HD2 LEU 11 -1.259 -7.351 -3.719 98 HD23 LEU 11 3HD2 LEU 11 -2.059 -6.304 -4.890 99 H DAS 12 H DAS 12 -3.578 -5.683 1.314 100 HA DAS 12 HA DAS 12 -3.050 -8.105 2.790 101 HB2 DAS 12 1HB DAS 12 -4.928 -6.697 3.502 102 HB3 DAS 12 2HB DAS 12 -3.835 -5.341 3.748 103 H THR 13 H THR 13 -1.008 -8.580 2.909 104 HA THR 13 HA THR 13 0.942 -6.472 3.581 105 HB THR 13 HB THR 13 1.378 -9.397 4.200 106 HG1 THR 13 1HG THR 13 -0.687 -8.713 5.029 107 HG21 THR 13 1HG2 THR 13 2.185 -6.841 5.608 108 HG22 THR 13 2HG2 THR 13 3.203 -7.751 4.497 109 HG23 THR 13 3HG2 THR 13 2.709 -8.472 6.031 110 H ARG 14 H ARG 14 -0.233 -8.175 1.157 111 HA ARG 14 HA ARG 14 2.125 -9.380 0.000 112 HB2 ARG 14 2HB ARG 14 -0.674 -8.956 -1.101 113 HB3 ARG 14 1HB ARG 14 0.580 -9.920 -1.869 114 HG2 ARG 14 2HG ARG 14 0.548 -11.506 -0.045 115 HG3 ARG 14 1HG ARG 14 -0.581 -10.496 0.853 116 HD2 ARG 14 2HD ARG 14 -1.167 -11.790 -1.816 117 HD3 ARG 14 1HD ARG 14 -1.671 -12.431 -0.254 118 HE ARG 14 HE ARG 14 -2.630 -9.877 -0.313 119 HH11 ARG 14 1HH1 ARG 14 -3.032 -12.739 -2.306 120 HH12 ARG 14 2HH1 ARG 14 -4.589 -12.358 -2.857 121 HH21 ARG 14 1HH2 ARG 14 -4.870 -9.287 -1.078 122 HH22 ARG 14 2HH2 ARG 14 -5.643 -10.338 -2.143 123 HA DPR 15 HA DPR 15 2.358 -6.191 -3.381 124 HB2 DPR 15 1HB DPR 15 5.198 -7.002 -3.398 125 HB3 DPR 15 2HB DPR 15 4.054 -6.946 -4.741 126 HG2 DPR 15 1HG DPR 15 4.889 -9.276 -3.724 127 HG3 DPR 15 2HG DPR 15 3.223 -9.061 -4.288 128 HD2 DPR 15 1HD DPR 15 4.296 -9.006 -1.491 129 HD3 DPR 15 2HD DPR 15 2.836 -9.808 -2.115 130 H DGL 16 H DGL 16 4.230 -6.808 -0.567 131 HA DGL 16 HA DGL 16 5.840 -4.503 -0.503 132 HB2 DGL 16 1HB DGL 16 6.280 -6.540 0.814 133 HB3 DGL 16 2HB DGL 16 4.852 -6.215 1.783 134 HG2 DGL 16 1HG DGL 16 5.857 -4.134 2.563 135 HG3 DGL 16 2HG DGL 16 7.302 -4.481 1.614 136 H DAL 17 H DAL 17 2.544 -5.100 0.334 137 HA DAL 17 HA DAL 17 2.035 -3.086 2.194 138 HB1 DAL 17 1HB DAL 17 -0.299 -3.288 1.541 139 HB2 DAL 17 2HB DAL 17 0.454 -4.879 1.656 140 HB3 DAL 17 3HB DAL 17 0.174 -4.148 0.076 141 H DGL 18 H DGL 18 1.732 -3.010 -1.341 142 HA DGL 18 HA DGL 18 0.835 -0.373 -1.636 143 HB2 DGL 18 1HB DGL 18 0.811 -2.084 -3.428 144 HB3 DGL 18 2HB DGL 18 2.563 -2.012 -3.509 145 HG2 DGL 18 1HG DGL 18 2.379 0.380 -4.163 146 HG3 DGL 18 2HG DGL 18 0.631 0.172 -4.228 147 H DAR 19 H DAR 19 4.007 -1.752 -1.499 148 HA DAR 19 HA DAR 19 5.575 0.508 -2.083 149 HB2 DAR 19 1HB DAR 19 6.431 -1.811 -2.130 150 HB3 DAR 19 2HB DAR 19 6.238 -1.920 -0.393 151 HG2 DAR 19 1HG DAR 19 8.537 -1.586 -0.831 152 HG3 DAR 19 2HG DAR 19 7.902 -0.091 -0.150 153 HD2 DAR 19 1HD DAR 19 7.717 0.834 -2.452 154 HD3 DAR 19 2HD DAR 19 8.482 -0.635 -3.058 155 HE DAR 19 HE DAR 19 9.927 0.702 -0.975 156 HH11 DAR 19 1HH2 DAR 19 11.985 1.666 -1.444 157 HH12 DAR 19 2HH2 DAR 19 12.495 1.873 -3.055 158 HH21 DAR 19 1HH1 DAR 19 9.564 0.466 -4.522 159 HH22 DAR 19 2HH1 DAR 19 11.077 1.166 -4.831 160 H DLY 20 H DLY 20 4.467 -0.867 0.982 161 HA DLY 20 HA DLY 20 5.737 0.994 2.694 162 HB2 DLY 20 1HB DLY 20 3.273 -0.688 3.174 163 HB3 DLY 20 2HB DLY 20 4.126 0.203 4.420 164 HG2 DLY 20 1HG DLY 20 5.285 -2.035 2.786 165 HG3 DLY 20 2HG DLY 20 4.681 -2.187 4.433 166 HD2 DLY 20 1HD DLY 20 6.377 -0.516 5.158 167 HD3 DLY 20 2HD DLY 20 7.007 -0.501 3.513 168 HE2 DLY 20 1HE DLY 20 8.356 -1.960 4.897 169 HE3 DLY 20 2HE DLY 20 7.504 -2.898 3.678 170 HZ1 DLY 20 1HZ DLY 20 6.758 -2.681 6.550 171 HZ2 DLY 20 2HZ DLY 20 7.410 -4.017 5.764 172 HZ3 DLY 20 3HZ DLY 20 5.863 -3.518 5.389 173 H DCY 21 H DCY 21 2.496 0.920 1.295 174 HA DCY 21 HA DCY 21 1.591 3.245 2.599 175 HB2 DCY 21 1HB DCY 21 0.757 2.000 0.008 176 HB3 DCY 21 2HB DCY 21 -0.099 3.359 0.741 177 H DAR 22 H DAR 22 3.062 2.805 -0.607 178 HA DAR 22 HA DAR 22 2.959 5.542 -1.292 179 HB2 DAR 22 1HB DAR 22 4.681 3.301 -2.344 180 HB3 DAR 22 2HB DAR 22 4.734 4.932 -3.000 181 HG2 DAR 22 1HG DAR 22 2.366 4.771 -3.592 182 HG3 DAR 22 2HG DAR 22 2.314 3.134 -2.939 183 HD2 DAR 22 1HD DAR 22 3.874 2.360 -4.591 184 HD3 DAR 22 2HD DAR 22 4.136 4.001 -5.174 185 HE DAR 22 HE DAR 22 1.418 3.443 -5.373 186 HH11 DAR 22 1HH1 DAR 22 4.435 2.405 -6.887 187 HH12 DAR 22 2HH1 DAR 22 3.721 1.964 -8.365 188 HH21 DAR 22 1HH2 DAR 22 0.421 2.884 -7.449 189 HH22 DAR 22 2HH2 DAR 22 1.390 2.232 -8.683 190 H DGL 23 H DGL 23 5.220 3.677 0.531 191 HA DGL 23 HA DGL 23 7.489 5.245 0.608 192 HB2 DGL 23 1HB DGL 23 7.284 3.005 1.577 193 HB3 DGL 23 2HB DGL 23 6.168 3.602 2.782 194 HG2 DGL 23 1HG DGL 23 7.918 4.898 3.831 195 HG3 DGL 23 2HG DGL 23 9.062 4.361 2.596 196 H DGL 24 H DGL 24 4.643 5.443 2.677 197 HA DGL 24 HA DGL 24 5.660 7.925 3.821 198 HB2 DGL 24 1HB DGL 24 3.350 6.171 4.623 199 HB3 DGL 24 2HB DGL 24 3.821 7.646 5.457 200 HG2 DGL 24 1HG DGL 24 5.953 6.690 6.034 201 HG3 DGL 24 2HG DGL 24 5.602 5.250 5.080 202 H SER 25 H SER 25 2.592 6.724 2.429 203 HA SER 25 HA SER 25 1.897 9.502 1.835 204 HB2 SER 25 2HB SER 25 1.243 7.033 0.196 205 HB3 SER 25 1HB SER 25 0.807 8.695 -0.204 206 HG SER 25 HG SER 25 3.454 7.698 0.064 207 H ASP 26 H ASP 26 -0.188 10.064 2.385 208 HA ASP 26 HA ASP 26 -1.635 8.163 4.084 209 HB2 ASP 26 2HB ASP 26 -1.037 10.411 4.974 210 HB3 ASP 26 1HB ASP 26 -1.960 11.161 3.686 Start of MODEL 9 1 H ASN 1 H ASN 1 -1.625 8.194 0.687 2 HA ASN 1 HA ASN 1 -3.977 9.580 -0.275 3 HB2 ASN 1 2HB ASN 1 -2.351 7.423 -1.625 4 HB3 ASN 1 1HB ASN 1 -3.637 8.366 -2.364 5 HD21 ASN 1 1HD2 ASN 1 -3.263 10.610 -2.742 6 HD22 ASN 1 2HD2 ASN 1 -1.658 11.205 -2.867 7 HA PRO 2 HA PRO 2 -6.703 6.432 1.401 8 HB2 PRO 2 2HB PRO 2 -8.498 7.605 -0.657 9 HB3 PRO 2 1HB PRO 2 -8.797 7.326 1.064 10 HG2 PRO 2 2HG PRO 2 -8.346 9.781 0.187 11 HG3 PRO 2 1HG PRO 2 -7.626 9.228 1.708 12 HD2 PRO 2 2HD PRO 2 -6.353 9.549 -0.979 13 HD3 PRO 2 1HD PRO 2 -5.714 9.920 0.639 14 H GLU 3 H GLU 3 -6.134 7.068 -1.965 15 HA GLU 3 HA GLU 3 -7.181 4.858 -3.274 16 HB2 GLU 3 2HB GLU 3 -6.112 6.812 -4.357 17 HB3 GLU 3 1HB GLU 3 -4.557 6.275 -3.751 18 HG2 GLU 3 2HG GLU 3 -4.863 5.787 -6.115 19 HG3 GLU 3 1HG GLU 3 -4.668 4.320 -5.154 20 H LEU 4 H LEU 4 -3.928 5.293 -1.944 21 HA LEU 4 HA LEU 4 -3.081 2.635 -2.326 22 HB2 LEU 4 2HB LEU 4 -2.074 4.806 -0.510 23 HB3 LEU 4 1HB LEU 4 -1.257 3.284 -0.772 24 HG LEU 4 HG LEU 4 -1.764 5.384 -2.879 25 HD11 LEU 4 1HD1 LEU 4 0.664 5.731 -2.754 26 HD12 LEU 4 2HD1 LEU 4 0.740 4.599 -1.403 27 HD13 LEU 4 3HD1 LEU 4 -0.165 6.107 -1.245 28 HD21 LEU 4 1HD2 LEU 4 -0.242 4.028 -4.256 29 HD22 LEU 4 2HD2 LEU 4 -1.706 3.144 -3.841 30 HD23 LEU 4 3HD2 LEU 4 -0.198 2.800 -2.990 31 H GLN 5 H GLN 5 -4.460 4.396 0.369 32 HA GLN 5 HA GLN 5 -4.112 2.436 2.319 33 HB2 GLN 5 2HB GLN 5 -6.281 4.521 2.130 34 HB3 GLN 5 1HB GLN 5 -5.901 3.594 3.574 35 HG2 GLN 5 2HG GLN 5 -4.026 5.483 2.156 36 HG3 GLN 5 1HG GLN 5 -4.887 5.819 3.655 37 HE21 GLN 5 1HE2 GLN 5 -4.159 4.898 5.558 38 HE22 GLN 5 2HE2 GLN 5 -2.622 4.120 5.669 39 H ARG 6 H ARG 6 -6.720 2.804 -0.027 40 HA ARG 6 HA ARG 6 -8.143 0.537 0.998 41 HB2 ARG 6 2HB ARG 6 -9.457 2.092 -0.257 42 HB3 ARG 6 1HB ARG 6 -8.372 1.995 -1.646 43 HG2 ARG 6 2HG ARG 6 -8.972 -0.402 -1.882 44 HG3 ARG 6 1HG ARG 6 -10.141 -0.202 -0.588 45 HD2 ARG 6 2HD ARG 6 -11.500 1.195 -1.914 46 HD3 ARG 6 1HD ARG 6 -10.219 1.426 -3.112 47 HE ARG 6 HE ARG 6 -10.495 -1.202 -3.148 48 HH11 ARG 6 1HH1 ARG 6 -13.011 1.302 -3.394 49 HH12 ARG 6 2HH1 ARG 6 -14.012 0.365 -4.404 50 HH21 ARG 6 1HH2 ARG 6 -11.894 -2.453 -4.475 51 HH22 ARG 6 2HH2 ARG 6 -13.366 -1.798 -5.048 52 H LYS 7 H LYS 7 -5.951 1.083 -1.730 53 HA LYS 7 HA LYS 7 -6.187 -1.512 -2.749 54 HB2 LYS 7 2HB LYS 7 -3.991 0.513 -3.137 55 HB3 LYS 7 1HB LYS 7 -4.102 -0.999 -4.030 56 HG2 LYS 7 2HG LYS 7 -6.206 1.164 -4.031 57 HG3 LYS 7 1HG LYS 7 -4.995 0.917 -5.288 58 HD2 LYS 7 2HD LYS 7 -5.912 -1.281 -5.782 59 HD3 LYS 7 1HD LYS 7 -7.061 -1.129 -4.460 60 HE2 LYS 7 2HE LYS 7 -8.063 -0.693 -6.680 61 HE3 LYS 7 1HE LYS 7 -8.204 0.665 -5.570 62 HZ1 LYS 7 1HZ LYS 7 -6.542 1.824 -6.700 63 HZ2 LYS 7 2HZ LYS 7 -7.545 1.225 -7.895 64 HZ3 LYS 7 3HZ LYS 7 -6.050 0.486 -7.609 65 H CYS 8 H CYS 8 -3.845 -0.214 -0.457 66 HA CYS 8 HA CYS 8 -2.346 -2.590 -0.251 67 HB2 CYS 8 2HB CYS 8 -2.763 -0.358 1.744 68 HB3 CYS 8 1HB CYS 8 -1.546 -1.618 1.911 69 H LYS 9 H LYS 9 -5.335 -1.548 1.175 70 HA LYS 9 HA LYS 9 -5.480 -3.488 3.231 71 HB2 LYS 9 2HB LYS 9 -6.824 -1.431 3.258 72 HB3 LYS 9 1HB LYS 9 -7.652 -1.939 1.801 73 HG2 LYS 9 2HG LYS 9 -9.057 -2.252 3.739 74 HG3 LYS 9 1HG LYS 9 -8.645 -3.808 3.022 75 HD2 LYS 9 2HD LYS 9 -6.964 -4.185 4.727 76 HD3 LYS 9 1HD LYS 9 -7.260 -2.585 5.406 77 HE2 LYS 9 2HE LYS 9 -9.280 -4.820 5.251 78 HE3 LYS 9 1HE LYS 9 -8.370 -4.361 6.691 79 HZ1 LYS 9 1HZ LYS 9 -10.315 -2.639 5.239 80 HZ2 LYS 9 2HZ LYS 9 -9.400 -2.176 6.581 81 HZ3 LYS 9 3HZ LYS 9 -10.554 -3.387 6.736 82 H GLU 10 H GLU 10 -6.659 -3.328 -0.094 83 HA GLU 10 HA GLU 10 -7.835 -5.940 -0.003 84 HB2 GLU 10 2HB GLU 10 -7.126 -4.218 -2.390 85 HB3 GLU 10 1HB GLU 10 -8.151 -5.648 -2.430 86 HG2 GLU 10 2HG GLU 10 -9.754 -4.535 -0.953 87 HG3 GLU 10 1HG GLU 10 -8.731 -3.103 -0.927 88 H LEU 11 H LEU 11 -4.765 -4.613 -0.978 89 HA LEU 11 HA LEU 11 -3.754 -6.922 -2.258 90 HB2 LEU 11 2HB LEU 11 -2.905 -4.650 -2.681 91 HB3 LEU 11 1HB LEU 11 -2.321 -4.583 -1.034 92 HG LEU 11 HG LEU 11 -0.636 -6.262 -1.501 93 HD11 LEU 11 1HD1 LEU 11 -0.291 -7.109 -3.772 94 HD12 LEU 11 2HD1 LEU 11 -1.769 -6.296 -4.295 95 HD13 LEU 11 3HD1 LEU 11 -1.852 -7.613 -3.126 96 HD21 LEU 11 1HD2 LEU 11 0.734 -4.973 -3.040 97 HD22 LEU 11 2HD2 LEU 11 -0.151 -3.889 -1.961 98 HD23 LEU 11 3HD2 LEU 11 -0.694 -4.121 -3.618 99 H DAS 12 H DAS 12 -3.829 -5.879 1.085 100 HA DAS 12 HA DAS 12 -2.846 -8.539 1.728 101 HB2 DAS 12 1HB DAS 12 -4.896 -7.932 2.869 102 HB3 DAS 12 2HB DAS 12 -4.139 -6.480 3.521 103 H THR 13 H THR 13 -0.983 -8.957 2.658 104 HA THR 13 HA THR 13 0.698 -6.648 3.275 105 HB THR 13 HB THR 13 0.192 -8.165 5.235 106 HG1 THR 13 1HG THR 13 2.940 -8.424 4.680 107 HG21 THR 13 1HG2 THR 13 0.095 -10.318 4.093 108 HG22 THR 13 2HG2 THR 13 1.326 -10.363 5.355 109 HG23 THR 13 3HG2 THR 13 1.799 -10.187 3.666 110 H ARG 14 H ARG 14 -0.040 -8.227 0.859 111 HA ARG 14 HA ARG 14 2.413 -9.453 -0.065 112 HB2 ARG 14 2HB ARG 14 -0.294 -8.954 -1.326 113 HB3 ARG 14 1HB ARG 14 1.032 -9.731 -2.175 114 HG2 ARG 14 2HG ARG 14 0.993 -11.597 -0.720 115 HG3 ARG 14 1HG ARG 14 -0.075 -10.771 0.414 116 HD2 ARG 14 2HD ARG 14 -0.826 -11.514 -2.409 117 HD3 ARG 14 1HD ARG 14 -1.212 -12.487 -0.987 118 HE ARG 14 HE ARG 14 -2.082 -9.702 -1.061 119 HH11 ARG 14 1HH1 ARG 14 -3.003 -13.098 -1.311 120 HH12 ARG 14 2HH1 ARG 14 -4.645 -12.832 -0.974 121 HH21 ARG 14 1HH2 ARG 14 -4.312 -9.312 -0.618 122 HH22 ARG 14 2HH2 ARG 14 -5.408 -10.615 -0.587 123 HA DPR 15 HA DPR 15 2.892 -6.035 -3.160 124 HB2 DPR 15 1HB DPR 15 5.675 -6.996 -3.303 125 HB3 DPR 15 2HB DPR 15 4.506 -6.775 -4.602 126 HG2 DPR 15 1HG DPR 15 5.249 -9.218 -3.784 127 HG3 DPR 15 2HG DPR 15 3.587 -8.877 -4.302 128 HD2 DPR 15 1HD DPR 15 4.701 -9.059 -1.523 129 HD3 DPR 15 2HD DPR 15 3.215 -9.780 -2.181 130 H DGL 16 H DGL 16 4.471 -6.868 -0.215 131 HA DGL 16 HA DGL 16 6.197 -4.710 0.233 132 HB2 DGL 16 1HB DGL 16 6.011 -6.579 1.853 133 HB3 DGL 16 2HB DGL 16 4.381 -6.066 2.255 134 HG2 DGL 16 1HG DGL 16 5.314 -3.916 3.060 135 HG3 DGL 16 2HG DGL 16 6.928 -4.541 2.765 136 H DAL 17 H DAL 17 2.743 -5.038 0.568 137 HA DAL 17 HA DAL 17 2.142 -2.811 2.077 138 HB1 DAL 17 1HB DAL 17 0.449 -4.096 -0.050 139 HB2 DAL 17 2HB DAL 17 -0.129 -3.021 1.220 140 HB3 DAL 17 3HB DAL 17 0.551 -4.595 1.638 141 H DGL 18 H DGL 18 2.343 -3.053 -1.465 142 HA DGL 18 HA DGL 18 1.469 -0.417 -1.881 143 HB2 DGL 18 1HB DGL 18 1.371 -2.069 -3.670 144 HB3 DGL 18 2HB DGL 18 3.126 -2.156 -3.708 145 HG2 DGL 18 1HG DGL 18 3.291 0.086 -4.508 146 HG3 DGL 18 2HG DGL 18 1.569 0.355 -4.265 147 H DAR 19 H DAR 19 4.696 -1.753 -1.563 148 HA DAR 19 HA DAR 19 6.123 0.672 -2.080 149 HB2 DAR 19 1HB DAR 19 6.937 -1.708 -0.412 150 HB3 DAR 19 2HB DAR 19 8.014 -0.418 -0.907 151 HG2 DAR 19 1HG DAR 19 7.666 -1.026 -3.247 152 HG3 DAR 19 2HG DAR 19 6.619 -2.354 -2.728 153 HD2 DAR 19 1HD DAR 19 9.507 -2.000 -1.928 154 HD3 DAR 19 2HD DAR 19 8.935 -3.074 -3.199 155 HE DAR 19 HE DAR 19 7.745 -4.316 -1.525 156 HH11 DAR 19 1HH2 DAR 19 8.203 -5.602 0.374 157 HH12 DAR 19 2HH2 DAR 19 9.390 -5.108 1.477 158 HH21 DAR 19 1HH1 DAR 19 10.310 -2.187 -0.327 159 HH22 DAR 19 2HH1 DAR 19 10.628 -3.111 1.063 160 H DLY 20 H DLY 20 4.947 -0.891 0.756 161 HA DLY 20 HA DLY 20 5.966 0.683 2.813 162 HB2 DLY 20 1HB DLY 20 4.779 -1.584 2.730 163 HB3 DLY 20 2HB DLY 20 3.286 -0.681 2.708 164 HG2 DLY 20 1HG DLY 20 3.615 0.140 4.887 165 HG3 DLY 20 2HG DLY 20 5.272 -0.495 4.933 166 HD2 DLY 20 1HD DLY 20 4.263 -2.771 4.498 167 HD3 DLY 20 2HD DLY 20 2.684 -2.045 4.754 168 HE2 DLY 20 1HE DLY 20 3.202 -1.514 7.005 169 HE3 DLY 20 2HE DLY 20 4.884 -2.002 6.788 170 HZ1 DLY 20 1HZ DLY 20 4.088 -4.248 6.295 171 HZ2 DLY 20 2HZ DLY 20 2.510 -3.785 6.645 172 HZ3 DLY 20 3HZ DLY 20 3.677 -3.779 7.860 173 H DCY 21 H DCY 21 2.891 0.830 1.041 174 HA DCY 21 HA DCY 21 1.963 3.186 2.277 175 HB2 DCY 21 1HB DCY 21 1.181 1.843 -0.295 176 HB3 DCY 21 2HB DCY 21 0.307 3.203 0.426 177 H DAR 22 H DAR 22 3.840 2.590 -0.672 178 HA DAR 22 HA DAR 22 3.713 5.226 -1.679 179 HB2 DAR 22 1HB DAR 22 5.787 3.061 -2.050 180 HB3 DAR 22 2HB DAR 22 5.891 4.616 -2.858 181 HG2 DAR 22 1HG DAR 22 3.589 2.694 -3.165 182 HG3 DAR 22 2HG DAR 22 4.947 2.824 -4.282 183 HD2 DAR 22 1HD DAR 22 2.999 5.039 -3.617 184 HD3 DAR 22 2HD DAR 22 3.015 4.078 -5.094 185 HE DAR 22 HE DAR 22 5.479 5.030 -5.093 186 HH11 DAR 22 1HH1 DAR 22 2.394 6.740 -4.646 187 HH12 DAR 22 2HH1 DAR 22 3.011 8.220 -5.197 188 HH21 DAR 22 1HH2 DAR 22 6.287 7.069 -5.819 189 HH22 DAR 22 2HH2 DAR 22 5.263 8.418 -5.891 190 H DGL 23 H DGL 23 5.758 3.733 0.699 191 HA DGL 23 HA DGL 23 7.592 5.871 0.990 192 HB2 DGL 23 1HB DGL 23 7.824 3.460 1.810 193 HB3 DGL 23 2HB DGL 23 6.738 3.904 3.111 194 HG2 DGL 23 1HG DGL 23 8.983 3.988 3.907 195 HG3 DGL 23 2HG DGL 23 8.329 5.624 3.837 196 H DGL 24 H DGL 24 4.606 4.966 2.654 197 HA DGL 24 HA DGL 24 4.685 7.124 4.520 198 HB2 DGL 24 1HB DGL 24 2.438 5.285 3.744 199 HB3 DGL 24 2HB DGL 24 2.368 6.436 5.066 200 HG2 DGL 24 1HG DGL 24 4.227 5.288 6.154 201 HG3 DGL 24 2HG DGL 24 4.244 4.112 4.836 202 H SER 25 H SER 25 2.671 6.519 1.650 203 HA SER 25 HA SER 25 2.243 9.365 1.393 204 HB2 SER 25 2HB SER 25 1.325 7.051 -0.322 205 HB3 SER 25 1HB SER 25 1.254 8.762 -0.769 206 HG SER 25 HG SER 25 3.671 7.615 0.010 207 H ASP 26 H ASP 26 0.189 10.278 1.731 208 HA ASP 26 HA ASP 26 -1.520 8.683 3.496 209 HB2 ASP 26 2HB ASP 26 -1.621 11.648 2.900 210 HB3 ASP 26 1HB ASP 26 -2.476 10.805 4.181 Start of MODEL 10 1 H ASN 1 H ASN 1 -2.049 7.600 0.748 2 HA ASN 1 HA ASN 1 -4.071 9.586 -0.003 3 HB2 ASN 1 2HB ASN 1 -2.541 7.582 -1.701 4 HB3 ASN 1 1HB ASN 1 -3.834 8.606 -2.298 5 HD21 ASN 1 1HD2 ASN 1 -3.421 10.776 -2.661 6 HD22 ASN 1 2HD2 ASN 1 -1.821 11.427 -2.652 7 HA PRO 2 HA PRO 2 -7.096 6.565 1.268 8 HB2 PRO 2 2HB PRO 2 -8.466 7.653 -1.157 9 HB3 PRO 2 1HB PRO 2 -9.117 7.350 0.456 10 HG2 PRO 2 2HG PRO 2 -8.476 9.819 -0.275 11 HG3 PRO 2 1HG PRO 2 -8.128 9.242 1.364 12 HD2 PRO 2 2HD PRO 2 -6.274 9.727 -0.904 13 HD3 PRO 2 1HD PRO 2 -5.993 9.852 0.842 14 H GLU 3 H GLU 3 -6.546 6.859 -2.248 15 HA GLU 3 HA GLU 3 -7.457 4.311 -2.972 16 HB2 GLU 3 2HB GLU 3 -6.993 6.238 -4.513 17 HB3 GLU 3 1HB GLU 3 -5.281 5.882 -4.338 18 HG2 GLU 3 2HG GLU 3 -5.987 4.914 -6.370 19 HG3 GLU 3 1HG GLU 3 -5.757 3.594 -5.228 20 H LEU 4 H LEU 4 -4.189 5.429 -2.058 21 HA LEU 4 HA LEU 4 -2.933 2.955 -2.558 22 HB2 LEU 4 2HB LEU 4 -2.108 5.307 -0.878 23 HB3 LEU 4 1HB LEU 4 -1.113 3.888 -1.103 24 HG LEU 4 HG LEU 4 -1.982 5.798 -3.275 25 HD11 LEU 4 1HD1 LEU 4 -0.309 6.748 -1.787 26 HD12 LEU 4 2HD1 LEU 4 0.396 6.372 -3.362 27 HD13 LEU 4 3HD1 LEU 4 0.698 5.315 -1.987 28 HD21 LEU 4 1HD2 LEU 4 -0.211 3.351 -3.384 29 HD22 LEU 4 2HD2 LEU 4 -0.402 4.518 -4.683 30 HD23 LEU 4 3HD2 LEU 4 -1.780 3.546 -4.175 31 H GLN 5 H GLN 5 -4.377 4.400 0.297 32 HA GLN 5 HA GLN 5 -3.555 2.330 2.039 33 HB2 GLN 5 2HB GLN 5 -5.933 4.185 2.301 34 HB3 GLN 5 1HB GLN 5 -5.279 3.191 3.598 35 HG2 GLN 5 2HG GLN 5 -3.132 4.410 3.396 36 HG3 GLN 5 1HG GLN 5 -3.868 5.444 2.180 37 HE21 GLN 5 1HE2 GLN 5 -6.446 5.469 3.672 38 HE22 GLN 5 2HE2 GLN 5 -6.177 6.536 4.998 39 H ARG 6 H ARG 6 -6.383 2.773 0.022 40 HA ARG 6 HA ARG 6 -7.726 0.398 0.741 41 HB2 ARG 6 2HB ARG 6 -8.899 2.065 -0.557 42 HB3 ARG 6 1HB ARG 6 -7.722 1.941 -1.858 43 HG2 ARG 6 2HG ARG 6 -8.407 -0.401 -2.216 44 HG3 ARG 6 1HG ARG 6 -9.649 -0.196 -0.987 45 HD2 ARG 6 2HD ARG 6 -10.781 1.421 -2.309 46 HD3 ARG 6 1HD ARG 6 -9.449 1.485 -3.469 47 HE ARG 6 HE ARG 6 -10.032 -1.053 -3.609 48 HH11 ARG 6 1HH1 ARG 6 -12.301 1.661 -3.554 49 HH12 ARG 6 2HH1 ARG 6 -13.469 0.887 -4.529 50 HH21 ARG 6 1HH2 ARG 6 -11.597 -2.091 -4.930 51 HH22 ARG 6 2HH2 ARG 6 -13.064 -1.340 -5.318 52 H LYS 7 H LYS 7 -5.265 1.101 -1.661 53 HA LYS 7 HA LYS 7 -5.123 -1.324 -3.038 54 HB2 LYS 7 2HB LYS 7 -3.911 0.731 -3.698 55 HB3 LYS 7 1HB LYS 7 -2.872 0.563 -2.297 56 HG2 LYS 7 2HG LYS 7 -1.648 -0.175 -4.187 57 HG3 LYS 7 1HG LYS 7 -2.079 -1.610 -3.257 58 HD2 LYS 7 2HD LYS 7 -3.939 -2.042 -4.790 59 HD3 LYS 7 1HD LYS 7 -3.508 -0.602 -5.718 60 HE2 LYS 7 2HE LYS 7 -1.271 -1.615 -6.121 61 HE3 LYS 7 1HE LYS 7 -1.832 -3.068 -5.311 62 HZ1 LYS 7 1HZ LYS 7 -3.561 -3.285 -7.009 63 HZ2 LYS 7 2HZ LYS 7 -2.030 -3.306 -7.675 64 HZ3 LYS 7 3HZ LYS 7 -2.971 -1.912 -7.791 65 H CYS 8 H CYS 8 -3.381 -0.253 -0.186 66 HA CYS 8 HA CYS 8 -2.034 -2.679 0.234 67 HB2 CYS 8 2HB CYS 8 -2.616 -0.425 2.138 68 HB3 CYS 8 1HB CYS 8 -1.381 -1.674 2.357 69 H LYS 9 H LYS 9 -5.131 -1.480 1.285 70 HA LYS 9 HA LYS 9 -5.557 -3.493 3.235 71 HB2 LYS 9 2HB LYS 9 -6.752 -1.336 3.191 72 HB3 LYS 9 1HB LYS 9 -7.562 -1.824 1.711 73 HG2 LYS 9 2HG LYS 9 -8.639 -3.663 2.903 74 HG3 LYS 9 1HG LYS 9 -7.830 -3.176 4.390 75 HD2 LYS 9 2HD LYS 9 -9.764 -1.474 2.813 76 HD3 LYS 9 1HD LYS 9 -10.144 -2.384 4.276 77 HE2 LYS 9 2HE LYS 9 -8.518 -1.038 5.529 78 HE3 LYS 9 1HE LYS 9 -8.148 -0.126 4.067 79 HZ1 LYS 9 1HZ LYS 9 -10.813 -0.246 5.359 80 HZ2 LYS 9 2HZ LYS 9 -10.372 0.691 4.006 81 HZ3 LYS 9 3HZ LYS 9 -9.703 1.021 5.503 82 H GLU 10 H GLU 10 -6.265 -3.198 -0.201 83 HA GLU 10 HA GLU 10 -7.678 -5.678 -0.276 84 HB2 GLU 10 2HB GLU 10 -6.615 -3.976 -2.526 85 HB3 GLU 10 1HB GLU 10 -7.592 -5.417 -2.760 86 HG2 GLU 10 2HG GLU 10 -9.345 -4.296 -1.320 87 HG3 GLU 10 1HG GLU 10 -8.388 -2.826 -1.471 88 H LEU 11 H LEU 11 -4.386 -4.715 -0.984 89 HA LEU 11 HA LEU 11 -3.617 -7.328 -1.909 90 HB2 LEU 11 2HB LEU 11 -2.145 -4.797 -1.329 91 HB3 LEU 11 1HB LEU 11 -1.233 -6.284 -1.398 92 HG LEU 11 HG LEU 11 -1.151 -5.009 -3.503 93 HD11 LEU 11 1HD1 LEU 11 -1.664 -6.845 -5.014 94 HD12 LEU 11 2HD1 LEU 11 -2.558 -7.658 -3.730 95 HD13 LEU 11 3HD1 LEU 11 -0.820 -7.382 -3.565 96 HD21 LEU 11 1HD2 LEU 11 -3.118 -4.900 -4.955 97 HD22 LEU 11 2HD2 LEU 11 -3.357 -4.004 -3.457 98 HD23 LEU 11 3HD2 LEU 11 -4.108 -5.589 -3.665 99 H DAS 12 H DAS 12 -3.837 -5.790 1.155 100 HA DAS 12 HA DAS 12 -3.094 -8.293 2.389 101 HB2 DAS 12 1HB DAS 12 -5.140 -7.212 3.153 102 HB3 DAS 12 2HB DAS 12 -4.259 -5.745 3.538 103 H THR 13 H THR 13 -1.043 -8.548 2.496 104 HA THR 13 HA THR 13 0.665 -6.283 3.254 105 HB THR 13 HB THR 13 1.187 -9.207 3.938 106 HG1 THR 13 1HG THR 13 -0.158 -7.130 5.306 107 HG21 THR 13 1HG2 THR 13 2.367 -6.629 5.022 108 HG22 THR 13 2HG2 THR 13 3.184 -7.739 3.922 109 HG23 THR 13 3HG2 THR 13 2.784 -8.256 5.560 110 H ARG 14 H ARG 14 -0.253 -8.288 0.816 111 HA ARG 14 HA ARG 14 2.199 -9.127 -0.350 112 HB2 ARG 14 2HB ARG 14 -0.557 -8.747 -1.541 113 HB3 ARG 14 1HB ARG 14 0.791 -9.456 -2.419 114 HG2 ARG 14 2HG ARG 14 0.898 -11.285 -0.843 115 HG3 ARG 14 1HG ARG 14 -0.367 -10.544 0.135 116 HD2 ARG 14 2HD ARG 14 -1.953 -10.798 -1.692 117 HD3 ARG 14 1HD ARG 14 -0.689 -11.484 -2.715 118 HE ARG 14 HE ARG 14 -0.552 -13.165 -0.767 119 HH11 ARG 14 1HH1 ARG 14 -3.523 -11.829 -2.151 120 HH12 ARG 14 2HH1 ARG 14 -4.496 -13.171 -1.760 121 HH21 ARG 14 1HH2 ARG 14 -1.895 -15.029 -0.239 122 HH22 ARG 14 2HH2 ARG 14 -3.540 -15.026 -0.646 123 HA DPR 15 HA DPR 15 2.666 -5.652 -3.345 124 HB2 DPR 15 1HB DPR 15 5.445 -6.529 -3.531 125 HB3 DPR 15 2HB DPR 15 4.234 -6.436 -4.808 126 HG2 DPR 15 1HG DPR 15 5.175 -8.796 -3.861 127 HG3 DPR 15 2HG DPR 15 3.525 -8.601 -4.475 128 HD2 DPR 15 1HD DPR 15 4.498 -8.642 -1.645 129 HD3 DPR 15 2HD DPR 15 3.073 -9.434 -2.355 130 H DGL 16 H DGL 16 4.287 -6.676 -0.492 131 HA DGL 16 HA DGL 16 5.993 -4.437 -0.086 132 HB2 DGL 16 1HB DGL 16 6.288 -6.609 1.085 133 HB3 DGL 16 2HB DGL 16 4.791 -6.327 1.957 134 HG2 DGL 16 1HG DGL 16 6.614 -5.830 3.410 135 HG3 DGL 16 2HG DGL 16 5.806 -4.324 2.988 136 H DAL 17 H DAL 17 2.632 -5.049 0.315 137 HA DAL 17 HA DAL 17 1.953 -3.049 2.161 138 HB1 DAL 17 1HB DAL 17 0.413 -4.844 1.468 139 HB2 DAL 17 2HB DAL 17 0.301 -4.109 -0.131 140 HB3 DAL 17 3HB DAL 17 -0.298 -3.241 1.286 141 H DGL 18 H DGL 18 1.765 -2.993 -1.412 142 HA DGL 18 HA DGL 18 1.135 -0.298 -1.666 143 HB2 DGL 18 1HB DGL 18 0.999 -1.950 -3.507 144 HB3 DGL 18 2HB DGL 18 2.755 -1.973 -3.588 145 HG2 DGL 18 1HG DGL 18 2.722 0.437 -4.139 146 HG3 DGL 18 2HG DGL 18 0.962 0.380 -4.163 147 H DAR 19 H DAR 19 4.253 -1.893 -1.547 148 HA DAR 19 HA DAR 19 5.949 0.274 -1.985 149 HB2 DAR 19 1HB DAR 19 6.251 -2.247 -0.399 150 HB3 DAR 19 2HB DAR 19 7.522 -1.036 -0.403 151 HG2 DAR 19 1HG DAR 19 6.439 -2.347 -2.885 152 HG3 DAR 19 2HG DAR 19 7.889 -2.870 -2.022 153 HD2 DAR 19 1HD DAR 19 7.425 -0.185 -3.343 154 HD3 DAR 19 2HD DAR 19 8.547 -1.449 -3.849 155 HE DAR 19 HE DAR 19 9.425 -1.009 -1.422 156 HH11 DAR 19 1HH2 DAR 19 10.762 0.696 -0.544 157 HH12 DAR 19 2HH2 DAR 19 10.883 2.194 -1.331 158 HH21 DAR 19 1HH1 DAR 19 8.669 1.349 -3.963 159 HH22 DAR 19 2HH1 DAR 19 9.629 2.596 -3.296 160 H DLY 20 H DLY 20 4.773 -0.976 1.134 161 HA DLY 20 HA DLY 20 5.997 0.985 2.694 162 HB2 DLY 20 1HB DLY 20 5.005 -1.150 3.578 163 HB3 DLY 20 2HB DLY 20 3.413 -0.438 3.351 164 HG2 DLY 20 1HG DLY 20 4.015 1.368 4.906 165 HG3 DLY 20 2HG DLY 20 5.589 0.611 5.146 166 HD2 DLY 20 1HD DLY 20 4.467 -1.407 5.986 167 HD3 DLY 20 2HD DLY 20 2.918 -0.575 5.849 168 HE2 DLY 20 1HE DLY 20 5.252 0.270 7.574 169 HE3 DLY 20 2HE DLY 20 3.763 -0.477 8.144 170 HZ1 DLY 20 1HZ DLY 20 3.962 2.234 6.909 171 HZ2 DLY 20 2HZ DLY 20 3.710 1.854 8.508 172 HZ3 DLY 20 3HZ DLY 20 2.537 1.447 7.373 173 H DCY 21 H DCY 21 2.766 0.852 1.240 174 HA DCY 21 HA DCY 21 1.935 3.317 2.301 175 HB2 DCY 21 1HB DCY 21 0.979 1.843 -0.125 176 HB3 DCY 21 2HB DCY 21 0.173 3.260 0.557 177 H DAR 22 H DAR 22 3.845 2.581 -0.550 178 HA DAR 22 HA DAR 22 3.671 5.173 -1.716 179 HB2 DAR 22 1HB DAR 22 5.947 3.185 -1.844 180 HB3 DAR 22 2HB DAR 22 5.829 4.641 -2.813 181 HG2 DAR 22 1HG DAR 22 3.842 3.774 -3.915 182 HG3 DAR 22 2HG DAR 22 3.982 2.286 -2.967 183 HD2 DAR 22 1HD DAR 22 6.232 1.938 -3.899 184 HD3 DAR 22 2HD DAR 22 6.047 3.404 -4.855 185 HE DAR 22 HE DAR 22 4.185 1.180 -5.206 186 HH11 DAR 22 1HH1 DAR 22 6.693 3.316 -6.566 187 HH12 DAR 22 2HH1 DAR 22 6.449 2.752 -8.151 188 HH21 DAR 22 1HH2 DAR 22 3.931 0.441 -7.348 189 HH22 DAR 22 2HH2 DAR 22 4.867 1.122 -8.631 190 H DGL 23 H DGL 23 5.730 3.690 0.689 191 HA DGL 23 HA DGL 23 7.316 6.019 1.071 192 HB2 DGL 23 1HB DGL 23 6.917 3.645 2.886 193 HB3 DGL 23 2HB DGL 23 8.143 4.890 3.098 194 HG2 DGL 23 1HG DGL 23 7.903 2.934 0.824 195 HG3 DGL 23 2HG DGL 23 9.145 2.972 2.075 196 H DGL 24 H DGL 24 4.445 4.751 2.632 197 HA DGL 24 HA DGL 24 4.168 6.629 4.711 198 HB2 DGL 24 1HB DGL 24 1.985 5.303 3.090 199 HB3 DGL 24 2HB DGL 24 1.750 6.116 4.617 200 HG2 DGL 24 1HG DGL 24 3.337 3.610 4.207 201 HG3 DGL 24 2HG DGL 24 1.711 3.716 4.875 202 H SER 25 H SER 25 2.702 6.527 1.516 203 HA SER 25 HA SER 25 2.283 9.396 1.583 204 HB2 SER 25 2HB SER 25 3.421 8.337 -0.422 205 HB3 SER 25 1HB SER 25 1.962 7.386 -0.685 206 HG SER 25 HG SER 25 0.827 9.328 -1.006 207 H ASP 26 H ASP 26 0.481 9.603 2.812 208 HA ASP 26 HA ASP 26 -1.499 7.569 2.764 209 HB2 ASP 26 2HB ASP 26 -2.711 8.904 4.501 210 HB3 ASP 26 1HB ASP 26 -1.077 8.440 4.940 Start of MODEL 11 1 H ASN 1 H ASN 1 -2.334 7.679 1.687 2 HA ASN 1 HA ASN 1 -4.200 9.612 0.533 3 HB2 ASN 1 2HB ASN 1 -2.270 9.451 -1.001 4 HB3 ASN 1 1HB ASN 1 -2.475 7.706 -1.064 5 HD21 ASN 1 1HD2 ASN 1 -3.767 10.759 -2.080 6 HD22 ASN 1 2HD2 ASN 1 -4.841 10.126 -3.274 7 HA PRO 2 HA PRO 2 -7.067 6.359 1.568 8 HB2 PRO 2 2HB PRO 2 -8.641 7.576 -0.646 9 HB3 PRO 2 1HB PRO 2 -9.134 7.227 1.016 10 HG2 PRO 2 2HG PRO 2 -8.628 9.707 0.294 11 HG3 PRO 2 1HG PRO 2 -8.040 9.108 1.857 12 HD2 PRO 2 2HD PRO 2 -6.546 9.516 -0.701 13 HD3 PRO 2 1HD PRO 2 -6.070 9.884 0.973 14 H GLU 3 H GLU 3 -6.404 7.006 -1.869 15 HA GLU 3 HA GLU 3 -7.461 4.532 -2.754 16 HB2 GLU 3 2HB GLU 3 -5.649 6.513 -4.119 17 HB3 GLU 3 1HB GLU 3 -6.324 5.095 -4.913 18 HG2 GLU 3 2HG GLU 3 -8.554 5.896 -4.577 19 HG3 GLU 3 1HG GLU 3 -7.958 7.240 -3.606 20 H LEU 4 H LEU 4 -4.190 5.673 -2.082 21 HA LEU 4 HA LEU 4 -2.930 3.247 -2.771 22 HB2 LEU 4 2HB LEU 4 -2.091 5.588 -1.094 23 HB3 LEU 4 1HB LEU 4 -1.112 4.148 -1.130 24 HG LEU 4 HG LEU 4 -0.852 4.431 -3.597 25 HD11 LEU 4 1HD1 LEU 4 -2.849 5.726 -4.070 26 HD12 LEU 4 2HD1 LEU 4 -1.392 6.538 -4.641 27 HD13 LEU 4 3HD1 LEU 4 -2.187 7.090 -3.168 28 HD21 LEU 4 1HD2 LEU 4 0.722 6.282 -3.467 29 HD22 LEU 4 2HD2 LEU 4 0.853 5.214 -2.068 30 HD23 LEU 4 3HD2 LEU 4 0.026 6.766 -1.921 31 H GLN 5 H GLN 5 -4.302 4.444 0.221 32 HA GLN 5 HA GLN 5 -3.459 2.291 1.804 33 HB2 GLN 5 2HB GLN 5 -5.623 4.332 2.115 34 HB3 GLN 5 1HB GLN 5 -5.425 3.031 3.283 35 HG2 GLN 5 2HG GLN 5 -3.259 4.965 2.513 36 HG3 GLN 5 1HG GLN 5 -4.294 5.128 3.936 37 HE21 GLN 5 1HE2 GLN 5 -4.052 3.697 5.618 38 HE22 GLN 5 2HE2 GLN 5 -2.663 2.700 5.816 39 H ARG 6 H ARG 6 -6.481 2.777 -0.005 40 HA ARG 6 HA ARG 6 -7.590 0.333 0.889 41 HB2 ARG 6 2HB ARG 6 -9.313 0.588 -0.763 42 HB3 ARG 6 1HB ARG 6 -8.952 2.174 -0.102 43 HG2 ARG 6 2HG ARG 6 -7.600 2.661 -2.077 44 HG3 ARG 6 1HG ARG 6 -8.026 1.085 -2.735 45 HD2 ARG 6 2HD ARG 6 -10.404 1.718 -2.639 46 HD3 ARG 6 1HD ARG 6 -9.929 3.324 -2.085 47 HE ARG 6 HE ARG 6 -8.778 2.380 -4.567 48 HH11 ARG 6 1HH1 ARG 6 -11.230 4.436 -3.029 49 HH12 ARG 6 2HH1 ARG 6 -11.556 5.334 -4.435 50 HH21 ARG 6 1HH2 ARG 6 -9.217 3.637 -6.481 51 HH22 ARG 6 2HH2 ARG 6 -10.395 4.858 -6.437 52 H LYS 7 H LYS 7 -5.417 1.124 -1.702 53 HA LYS 7 HA LYS 7 -5.430 -1.243 -3.188 54 HB2 LYS 7 2HB LYS 7 -4.079 0.522 -4.033 55 HB3 LYS 7 1HB LYS 7 -3.266 0.747 -2.497 56 HG2 LYS 7 2HG LYS 7 -1.696 -0.217 -4.028 57 HG3 LYS 7 1HG LYS 7 -2.120 -1.441 -2.842 58 HD2 LYS 7 2HD LYS 7 -2.063 -2.537 -4.938 59 HD3 LYS 7 1HD LYS 7 -3.770 -2.329 -4.551 60 HE2 LYS 7 2HE LYS 7 -3.284 -1.809 -6.900 61 HE3 LYS 7 1HE LYS 7 -3.888 -0.397 -6.031 62 HZ1 LYS 7 1HZ LYS 7 -0.986 -0.911 -6.434 63 HZ2 LYS 7 2HZ LYS 7 -1.726 0.531 -5.959 64 HZ3 LYS 7 3HZ LYS 7 -1.928 -0.047 -7.530 65 H CYS 8 H CYS 8 -3.634 -0.360 -0.302 66 HA CYS 8 HA CYS 8 -2.430 -2.895 -0.063 67 HB2 CYS 8 2HB CYS 8 -2.655 -0.634 1.887 68 HB3 CYS 8 1HB CYS 8 -1.590 -2.032 2.065 69 H LYS 9 H LYS 9 -5.363 -1.507 1.267 70 HA LYS 9 HA LYS 9 -5.738 -3.692 3.074 71 HB2 LYS 9 2HB LYS 9 -7.692 -1.650 2.010 72 HB3 LYS 9 1HB LYS 9 -8.126 -2.874 3.192 73 HG2 LYS 9 2HG LYS 9 -6.032 -0.734 3.573 74 HG3 LYS 9 1HG LYS 9 -7.668 -0.713 4.239 75 HD2 LYS 9 2HD LYS 9 -7.161 -2.786 5.487 76 HD3 LYS 9 1HD LYS 9 -5.522 -2.753 4.847 77 HE2 LYS 9 2HE LYS 9 -6.767 -0.640 6.600 78 HE3 LYS 9 1HE LYS 9 -5.643 -1.880 7.133 79 HZ1 LYS 9 1HZ LYS 9 -3.982 -0.905 5.596 80 HZ2 LYS 9 2HZ LYS 9 -4.456 0.123 6.805 81 HZ3 LYS 9 3HZ LYS 9 -5.068 0.352 5.246 82 H GLU 10 H GLU 10 -6.358 -3.212 -0.265 83 HA GLU 10 HA GLU 10 -8.107 -5.461 -0.585 84 HB2 GLU 10 2HB GLU 10 -8.078 -3.436 -2.043 85 HB3 GLU 10 1HB GLU 10 -6.482 -3.906 -2.598 86 HG2 GLU 10 2HG GLU 10 -8.118 -4.521 -4.219 87 HG3 GLU 10 1HG GLU 10 -7.437 -5.977 -3.482 88 H LEU 11 H LEU 11 -4.750 -4.668 -1.325 89 HA LEU 11 HA LEU 11 -4.045 -7.190 -2.411 90 HB2 LEU 11 2HB LEU 11 -2.978 -5.034 -2.974 91 HB3 LEU 11 1HB LEU 11 -2.307 -4.961 -1.364 92 HG LEU 11 HG LEU 11 -0.950 -6.959 -1.858 93 HD11 LEU 11 1HD1 LEU 11 -2.420 -7.980 -3.533 94 HD12 LEU 11 2HD1 LEU 11 -0.789 -7.765 -4.154 95 HD13 LEU 11 3HD1 LEU 11 -2.071 -6.657 -4.645 96 HD21 LEU 11 1HD2 LEU 11 -0.044 -4.716 -2.201 97 HD22 LEU 11 2HD2 LEU 11 -0.664 -4.716 -3.854 98 HD23 LEU 11 3HD2 LEU 11 0.596 -5.855 -3.383 99 H DAS 12 H DAS 12 -3.594 -5.683 0.762 100 HA DAS 12 HA DAS 12 -2.917 -8.303 1.865 101 HB2 DAS 12 1HB DAS 12 -5.045 -7.350 2.655 102 HB3 DAS 12 2HB DAS 12 -4.214 -5.883 3.141 103 H THR 13 H THR 13 -1.109 -8.452 3.183 104 HA THR 13 HA THR 13 0.558 -6.068 3.521 105 HB THR 13 HB THR 13 1.985 -7.640 4.874 106 HG1 THR 13 1HG THR 13 -0.080 -9.518 4.981 107 HG21 THR 13 1HG2 THR 13 -0.926 -7.524 5.692 108 HG22 THR 13 2HG2 THR 13 0.272 -6.262 5.980 109 HG23 THR 13 3HG2 THR 13 0.432 -7.828 6.776 110 H ARG 14 H ARG 14 -0.099 -8.051 1.207 111 HA ARG 14 HA ARG 14 2.337 -9.332 0.507 112 HB2 ARG 14 2HB ARG 14 -0.035 -8.733 -1.270 113 HB3 ARG 14 1HB ARG 14 1.218 -9.917 -1.564 114 HG2 ARG 14 2HG ARG 14 -0.867 -10.029 0.622 115 HG3 ARG 14 1HG ARG 14 -0.863 -10.974 -0.859 116 HD2 ARG 14 2HD ARG 14 -0.081 -12.437 0.815 117 HD3 ARG 14 1HD ARG 14 1.364 -11.923 -0.051 118 HE ARG 14 HE ARG 14 0.547 -10.653 2.468 119 HH11 ARG 14 1HH1 ARG 14 2.999 -12.466 0.606 120 HH12 ARG 14 2HH1 ARG 14 4.216 -12.215 1.744 121 HH21 ARG 14 1HH2 ARG 14 2.233 -10.368 4.035 122 HH22 ARG 14 2HH2 ARG 14 3.783 -11.033 3.745 123 HA DPR 15 HA DPR 15 3.550 -6.426 -2.856 124 HB2 DPR 15 1HB DPR 15 6.250 -7.416 -2.279 125 HB3 DPR 15 2HB DPR 15 5.351 -7.464 -3.798 126 HG2 DPR 15 1HG DPR 15 5.836 -9.702 -2.390 127 HG3 DPR 15 2HG DPR 15 4.317 -9.457 -3.275 128 HD2 DPR 15 1HD DPR 15 4.852 -9.111 -0.345 129 HD3 DPR 15 2HD DPR 15 3.503 -9.937 -1.158 130 H DGL 16 H DGL 16 4.565 -6.792 0.395 131 HA DGL 16 HA DGL 16 6.379 -4.589 0.487 132 HB2 DGL 16 1HB DGL 16 6.152 -6.569 2.132 133 HB3 DGL 16 2HB DGL 16 4.823 -5.660 2.834 134 HG2 DGL 16 1HG DGL 16 6.720 -5.173 4.139 135 HG3 DGL 16 2HG DGL 16 6.438 -3.752 3.135 136 H DAL 17 H DAL 17 2.972 -5.040 0.685 137 HA DAL 17 HA DAL 17 2.161 -2.720 2.031 138 HB1 DAL 17 1HB DAL 17 0.689 -4.620 1.632 139 HB2 DAL 17 2HB DAL 17 0.703 -4.265 -0.093 140 HB3 DAL 17 3HB DAL 17 -0.019 -3.119 1.033 141 H DGL 18 H DGL 18 2.285 -3.359 -1.478 142 HA DGL 18 HA DGL 18 1.482 -0.888 -2.445 143 HB2 DGL 18 1HB DGL 18 1.805 -2.880 -3.846 144 HB3 DGL 18 2HB DGL 18 3.539 -2.788 -3.599 145 HG2 DGL 18 1HG DGL 18 3.174 -1.922 -5.755 146 HG3 DGL 18 2HG DGL 18 3.468 -0.550 -4.678 147 H DAR 19 H DAR 19 4.664 -1.979 -1.529 148 HA DAR 19 HA DAR 19 6.125 0.363 -2.167 149 HB2 DAR 19 1HB DAR 19 7.394 -1.608 -1.772 150 HB3 DAR 19 2HB DAR 19 6.623 -1.875 -0.212 151 HG2 DAR 19 1HG DAR 19 7.695 0.317 0.516 152 HG3 DAR 19 2HG DAR 19 8.666 0.207 -0.953 153 HD2 DAR 19 1HD DAR 19 9.706 -1.755 -0.260 154 HD3 DAR 19 2HD DAR 19 8.498 -2.050 0.992 155 HE DAR 19 HE DAR 19 9.954 0.399 1.359 156 HH11 DAR 19 1HH2 DAR 19 11.464 0.522 3.070 157 HH12 DAR 19 2HH2 DAR 19 11.914 -0.890 3.941 158 HH21 DAR 19 1HH1 DAR 19 9.776 -3.050 2.116 159 HH22 DAR 19 2HH1 DAR 19 10.944 -2.955 3.364 160 H DLY 20 H DLY 20 4.962 -0.855 0.957 161 HA DLY 20 HA DLY 20 5.749 1.258 2.542 162 HB2 DLY 20 1HB DLY 20 5.074 -0.928 3.394 163 HB3 DLY 20 2HB DLY 20 3.418 -0.626 2.904 164 HG2 DLY 20 1HG DLY 20 3.236 1.178 4.526 165 HG3 DLY 20 2HG DLY 20 4.914 0.916 5.013 166 HD2 DLY 20 1HD DLY 20 4.387 -1.325 5.752 167 HD3 DLY 20 2HD DLY 20 2.731 -1.163 5.174 168 HE2 DLY 20 1HE DLY 20 2.366 0.662 6.781 169 HE3 DLY 20 2HE DLY 20 4.010 0.446 7.380 170 HZ1 DLY 20 1HZ DLY 20 2.337 -0.696 8.757 171 HZ2 DLY 20 2HZ DLY 20 3.452 -1.766 8.102 172 HZ3 DLY 20 3HZ DLY 20 1.918 -1.657 7.439 173 H DCY 21 H DCY 21 2.754 0.852 0.719 174 HA DCY 21 HA DCY 21 1.528 3.085 1.912 175 HB2 DCY 21 1HB DCY 21 0.914 1.480 -0.515 176 HB3 DCY 21 2HB DCY 21 -0.077 2.877 -0.054 177 H DAR 22 H DAR 22 3.557 2.812 -0.963 178 HA DAR 22 HA DAR 22 3.022 5.607 -1.578 179 HB2 DAR 22 1HB DAR 22 4.527 5.344 -3.480 180 HB3 DAR 22 2HB DAR 22 3.348 4.046 -3.463 181 HG2 DAR 22 1HG DAR 22 5.042 2.574 -2.437 182 HG3 DAR 22 2HG DAR 22 6.219 3.874 -2.605 183 HD2 DAR 22 1HD DAR 22 5.915 3.863 -5.015 184 HD3 DAR 22 2HD DAR 22 4.696 2.597 -4.854 185 HE DAR 22 HE DAR 22 7.461 2.226 -3.963 186 HH11 DAR 22 1HH1 DAR 22 4.728 1.179 -5.964 187 HH12 DAR 22 2HH1 DAR 22 5.432 -0.330 -6.356 188 HH21 DAR 22 1HH2 DAR 22 8.425 0.153 -4.576 189 HH22 DAR 22 2HH2 DAR 22 7.540 -0.924 -5.549 190 H DGL 23 H DGL 23 5.253 3.718 0.155 191 HA DGL 23 HA DGL 23 7.359 5.613 0.297 192 HB2 DGL 23 1HB DGL 23 7.506 3.111 0.725 193 HB3 DGL 23 2HB DGL 23 6.698 3.401 2.253 194 HG2 DGL 23 1HG DGL 23 8.538 4.769 3.015 195 HG3 DGL 23 2HG DGL 23 9.356 4.557 1.469 196 H DGL 24 H DGL 24 4.685 4.701 2.427 197 HA DGL 24 HA DGL 24 5.217 6.782 4.296 198 HB2 DGL 24 1HB DGL 24 2.890 4.909 3.961 199 HB3 DGL 24 2HB DGL 24 3.036 6.061 5.283 200 HG2 DGL 24 1HG DGL 24 5.017 3.884 4.679 201 HG3 DGL 24 2HG DGL 24 3.738 3.764 5.884 202 H SER 25 H SER 25 2.577 6.289 1.886 203 HA SER 25 HA SER 25 2.276 9.197 1.918 204 HB2 SER 25 2HB SER 25 1.359 7.191 -0.144 205 HB3 SER 25 1HB SER 25 1.213 8.946 -0.270 206 HG SER 25 HG SER 25 3.677 7.617 0.105 207 H ASP 26 H ASP 26 0.496 10.065 2.726 208 HA ASP 26 HA ASP 26 -1.595 8.330 3.719 209 HB2 ASP 26 2HB ASP 26 -1.176 11.316 4.030 210 HB3 ASP 26 1HB ASP 26 -2.557 10.452 4.687 Start of MODEL 12 1 H ASN 1 H ASN 1 -1.940 8.781 1.310 2 HA ASN 1 HA ASN 1 -4.523 9.900 1.122 3 HB2 ASN 1 2HB ASN 1 -2.846 8.667 -1.077 4 HB3 ASN 1 1HB ASN 1 -4.182 9.787 -1.298 5 HD21 ASN 1 1HD2 ASN 1 -3.854 11.984 -0.864 6 HD22 ASN 1 2HD2 ASN 1 -2.277 12.633 -0.636 7 HA PRO 2 HA PRO 2 -7.184 6.320 1.392 8 HB2 PRO 2 2HB PRO 2 -8.573 7.838 -0.787 9 HB3 PRO 2 1HB PRO 2 -9.261 7.044 0.636 10 HG2 PRO 2 2HG PRO 2 -8.924 9.669 0.632 11 HG3 PRO 2 1HG PRO 2 -8.549 8.721 2.082 12 HD2 PRO 2 2HD PRO 2 -6.705 10.004 0.134 13 HD3 PRO 2 1HD PRO 2 -6.493 9.703 1.869 14 H GLU 3 H GLU 3 -6.411 7.550 -1.845 15 HA GLU 3 HA GLU 3 -7.010 5.372 -3.441 16 HB2 GLU 3 2HB GLU 3 -6.304 7.605 -4.225 17 HB3 GLU 3 1HB GLU 3 -4.662 7.258 -3.710 18 HG2 GLU 3 2HG GLU 3 -4.831 6.986 -6.084 19 HG3 GLU 3 1HG GLU 3 -4.598 5.404 -5.342 20 H LEU 4 H LEU 4 -3.962 6.050 -1.724 21 HA LEU 4 HA LEU 4 -2.777 3.613 -2.628 22 HB2 LEU 4 2HB LEU 4 -1.865 5.775 -0.766 23 HB3 LEU 4 1HB LEU 4 -0.965 4.290 -0.930 24 HG LEU 4 HG LEU 4 0.117 5.866 -2.294 25 HD11 LEU 4 1HD1 LEU 4 -0.112 3.694 -3.322 26 HD12 LEU 4 2HD1 LEU 4 -0.060 4.982 -4.516 27 HD13 LEU 4 3HD1 LEU 4 -1.593 4.217 -4.130 28 HD21 LEU 4 1HD2 LEU 4 -1.002 7.191 -4.038 29 HD22 LEU 4 2HD2 LEU 4 -1.607 7.574 -2.428 30 HD23 LEU 4 3HD2 LEU 4 -2.560 6.554 -3.509 31 H GLN 5 H GLN 5 -4.180 4.807 0.329 32 HA GLN 5 HA GLN 5 -3.469 2.558 1.865 33 HB2 GLN 5 2HB GLN 5 -5.667 4.572 2.280 34 HB3 GLN 5 1HB GLN 5 -5.206 3.352 3.464 35 HG2 GLN 5 2HG GLN 5 -3.393 5.493 2.365 36 HG3 GLN 5 1HG GLN 5 -4.173 5.515 3.943 37 HE21 GLN 5 1HE2 GLN 5 -1.299 5.481 3.139 38 HE22 GLN 5 2HE2 GLN 5 -0.637 4.175 4.046 39 H ARG 6 H ARG 6 -6.109 3.096 -0.325 40 HA ARG 6 HA ARG 6 -7.622 0.806 0.317 41 HB2 ARG 6 2HB ARG 6 -8.529 2.402 -1.275 42 HB3 ARG 6 1HB ARG 6 -7.168 2.144 -2.364 43 HG2 ARG 6 2HG ARG 6 -7.864 -0.210 -2.632 44 HG3 ARG 6 1HG ARG 6 -9.264 0.111 -1.619 45 HD2 ARG 6 2HD ARG 6 -10.069 1.733 -3.251 46 HD3 ARG 6 1HD ARG 6 -8.629 1.452 -4.236 47 HE ARG 6 HE ARG 6 -9.671 -1.028 -3.990 48 HH11 ARG 6 1HH1 ARG 6 -11.001 2.038 -5.134 49 HH12 ARG 6 2HH1 ARG 6 -12.178 1.321 -6.139 50 HH21 ARG 6 1HH2 ARG 6 -11.285 -2.027 -5.335 51 HH22 ARG 6 2HH2 ARG 6 -12.340 -1.049 -6.252 52 H LYS 7 H LYS 7 -5.022 1.346 -1.988 53 HA LYS 7 HA LYS 7 -4.890 -1.158 -3.158 54 HB2 LYS 7 2HB LYS 7 -3.739 0.855 -3.998 55 HB3 LYS 7 1HB LYS 7 -2.628 0.777 -2.643 56 HG2 LYS 7 2HG LYS 7 -1.827 -1.411 -3.473 57 HG3 LYS 7 1HG LYS 7 -2.885 -1.230 -4.874 58 HD2 LYS 7 2HD LYS 7 -1.724 0.872 -5.440 59 HD3 LYS 7 1HD LYS 7 -0.628 0.604 -4.086 60 HE2 LYS 7 2HE LYS 7 0.448 -0.134 -6.116 61 HE3 LYS 7 1HE LYS 7 0.064 -1.538 -5.121 62 HZ1 LYS 7 1HZ LYS 7 -0.448 -1.952 -7.394 63 HZ2 LYS 7 2HZ LYS 7 -1.435 -0.597 -7.505 64 HZ3 LYS 7 3HZ LYS 7 -1.899 -1.899 -6.554 65 H CYS 8 H CYS 8 -3.099 0.105 -0.389 66 HA CYS 8 HA CYS 8 -1.490 -2.070 0.189 67 HB2 CYS 8 2HB CYS 8 -2.786 -0.239 2.212 68 HB3 CYS 8 1HB CYS 8 -1.335 -1.193 2.443 69 H LYS 9 H LYS 9 -4.699 -1.274 1.501 70 HA LYS 9 HA LYS 9 -4.774 -3.578 3.184 71 HB2 LYS 9 2HB LYS 9 -5.822 -1.307 3.601 72 HB3 LYS 9 1HB LYS 9 -7.049 -1.751 2.433 73 HG2 LYS 9 2HG LYS 9 -7.750 -3.602 3.839 74 HG3 LYS 9 1HG LYS 9 -6.476 -3.218 5.001 75 HD2 LYS 9 2HD LYS 9 -7.482 -0.941 5.225 76 HD3 LYS 9 1HD LYS 9 -8.829 -1.498 4.239 77 HE2 LYS 9 2HE LYS 9 -9.422 -1.637 6.567 78 HE3 LYS 9 1HE LYS 9 -9.263 -3.268 5.911 79 HZ1 LYS 9 1HZ LYS 9 -8.224 -3.005 8.100 80 HZ2 LYS 9 2HZ LYS 9 -7.182 -1.846 7.475 81 HZ3 LYS 9 3HZ LYS 9 -7.090 -3.442 6.941 82 H GLU 10 H GLU 10 -5.763 -2.820 0.006 83 HA GLU 10 HA GLU 10 -7.645 -4.912 -0.367 84 HB2 GLU 10 2HB GLU 10 -7.557 -2.817 -1.679 85 HB3 GLU 10 1HB GLU 10 -6.029 -3.328 -2.358 86 HG2 GLU 10 2HG GLU 10 -7.084 -5.106 -3.539 87 HG3 GLU 10 1HG GLU 10 -8.618 -4.795 -2.717 88 H LEU 11 H LEU 11 -4.187 -4.528 -0.990 89 HA LEU 11 HA LEU 11 -3.904 -7.173 -2.105 90 HB2 LEU 11 2HB LEU 11 -1.860 -5.185 -1.131 91 HB3 LEU 11 1HB LEU 11 -1.462 -6.709 -1.894 92 HG LEU 11 HG LEU 11 -2.995 -4.474 -3.209 93 HD11 LEU 11 1HD1 LEU 11 -0.129 -5.344 -3.524 94 HD12 LEU 11 2HD1 LEU 11 -0.693 -3.848 -2.778 95 HD13 LEU 11 3HD1 LEU 11 -0.952 -4.127 -4.500 96 HD21 LEU 11 1HD2 LEU 11 -3.588 -6.645 -4.118 97 HD22 LEU 11 2HD2 LEU 11 -1.886 -7.068 -4.268 98 HD23 LEU 11 3HD2 LEU 11 -2.560 -5.783 -5.263 99 H DAS 12 H DAS 12 -3.272 -5.603 0.968 100 HA DAS 12 HA DAS 12 -2.945 -8.256 2.127 101 HB2 DAS 12 1HB DAS 12 -5.035 -7.281 2.848 102 HB3 DAS 12 2HB DAS 12 -4.215 -5.798 3.321 103 H THR 13 H THR 13 -1.004 -8.587 2.754 104 HA THR 13 HA THR 13 0.675 -6.318 3.513 105 HB THR 13 HB THR 13 1.906 -8.141 4.853 106 HG1 THR 13 1HG THR 13 0.428 -9.874 5.455 107 HG21 THR 13 1HG2 THR 13 -0.911 -7.372 5.657 108 HG22 THR 13 2HG2 THR 13 0.543 -6.414 5.948 109 HG23 THR 13 3HG2 THR 13 0.333 -7.969 6.754 110 H ARG 14 H ARG 14 -0.001 -7.911 1.020 111 HA ARG 14 HA ARG 14 2.381 -9.357 0.301 112 HB2 ARG 14 2HB ARG 14 -0.113 -8.665 -1.239 113 HB3 ARG 14 1HB ARG 14 1.191 -9.675 -1.848 114 HG2 ARG 14 2HG ARG 14 0.805 -11.257 -0.027 115 HG3 ARG 14 1HG ARG 14 -0.514 -10.245 0.558 116 HD2 ARG 14 2HD ARG 14 -1.744 -10.605 -1.484 117 HD3 ARG 14 1HD ARG 14 -0.391 -11.504 -2.174 118 HE ARG 14 HE ARG 14 -1.313 -12.563 0.293 119 HH11 ARG 14 1HH1 ARG 14 -1.996 -12.512 -3.197 120 HH12 ARG 14 2HH1 ARG 14 -2.579 -14.093 -3.260 121 HH21 ARG 14 1HH2 ARG 14 -2.198 -14.756 0.208 122 HH22 ARG 14 2HH2 ARG 14 -2.734 -15.393 -1.277 123 HA DPR 15 HA DPR 15 3.793 -6.428 -2.977 124 HB2 DPR 15 1HB DPR 15 6.403 -7.536 -2.122 125 HB3 DPR 15 2HB DPR 15 5.722 -7.406 -3.747 126 HG2 DPR 15 1HG DPR 15 5.908 -9.771 -2.525 127 HG3 DPR 15 2HG DPR 15 4.503 -9.372 -3.529 128 HD2 DPR 15 1HD DPR 15 4.762 -9.346 -0.539 129 HD3 DPR 15 2HD DPR 15 3.438 -9.957 -1.555 130 H DGL 16 H DGL 16 4.659 -6.959 0.299 131 HA DGL 16 HA DGL 16 6.235 -4.639 0.735 132 HB2 DGL 16 1HB DGL 16 6.258 -6.525 2.316 133 HB3 DGL 16 2HB DGL 16 4.565 -6.246 2.684 134 HG2 DGL 16 1HG DGL 16 5.117 -4.069 3.629 135 HG3 DGL 16 2HG DGL 16 6.814 -4.326 3.243 136 H DAL 17 H DAL 17 2.827 -5.341 0.748 137 HA DAL 17 HA DAL 17 1.912 -3.056 2.117 138 HB1 DAL 17 1HB DAL 17 -0.276 -3.587 1.215 139 HB2 DAL 17 2HB DAL 17 0.529 -5.054 1.772 140 HB3 DAL 17 3HB DAL 17 0.456 -4.689 0.050 141 H DGL 18 H DGL 18 2.135 -3.779 -1.340 142 HA DGL 18 HA DGL 18 1.230 -1.262 -2.181 143 HB2 DGL 18 1HB DGL 18 2.239 -1.856 -4.390 144 HB3 DGL 18 2HB DGL 18 1.120 -3.043 -3.741 145 HG2 DGL 18 1HG DGL 18 3.007 -4.390 -2.975 146 HG3 DGL 18 2HG DGL 18 4.111 -3.217 -3.683 147 H DAR 19 H DAR 19 4.350 -2.308 -1.145 148 HA DAR 19 HA DAR 19 5.760 -0.022 -2.131 149 HB2 DAR 19 1HB DAR 19 7.017 -2.063 -1.645 150 HB3 DAR 19 2HB DAR 19 6.475 -2.034 0.023 151 HG2 DAR 19 1HG DAR 19 8.797 -1.296 -0.209 152 HG3 DAR 19 2HG DAR 19 7.761 -0.026 0.446 153 HD2 DAR 19 1HD DAR 19 7.577 0.948 -1.789 154 HD3 DAR 19 2HD DAR 19 8.700 -0.263 -2.409 155 HE DAR 19 HE DAR 19 10.137 0.774 -0.482 156 HH11 DAR 19 1HH2 DAR 19 11.480 2.707 -0.574 157 HH12 DAR 19 2HH2 DAR 19 11.056 3.981 -1.616 158 HH21 DAR 19 1HH1 DAR 19 8.119 2.408 -2.882 159 HH22 DAR 19 2HH1 DAR 19 9.068 3.823 -2.959 160 H DLY 20 H DLY 20 4.458 -1.052 0.957 161 HA DLY 20 HA DLY 20 5.041 1.114 2.572 162 HB2 DLY 20 1HB DLY 20 4.183 -1.042 3.357 163 HB3 DLY 20 2HB DLY 20 2.650 -0.743 2.569 164 HG2 DLY 20 1HG DLY 20 2.156 1.057 4.096 165 HG3 DLY 20 2HG DLY 20 3.729 0.853 4.872 166 HD2 DLY 20 1HD DLY 20 3.121 -1.422 5.528 167 HD3 DLY 20 2HD DLY 20 1.564 -1.254 4.720 168 HE2 DLY 20 1HE DLY 20 1.355 -0.955 7.140 169 HE3 DLY 20 2HE DLY 20 0.920 0.510 6.267 170 HZ1 DLY 20 1HZ DLY 20 2.324 0.930 8.231 171 HZ2 DLY 20 2HZ DLY 20 2.959 1.504 6.806 172 HZ3 DLY 20 3HZ DLY 20 3.585 0.085 7.490 173 H DCY 21 H DCY 21 2.353 0.583 0.360 174 HA DCY 21 HA DCY 21 0.745 2.754 0.843 175 HB2 DCY 21 1HB DCY 21 1.446 1.561 -1.846 176 HB3 DCY 21 2HB DCY 21 0.074 2.616 -1.542 177 H DAR 22 H DAR 22 3.480 2.681 -1.470 178 HA DAR 22 HA DAR 22 3.196 5.520 -1.922 179 HB2 DAR 22 1HB DAR 22 5.162 3.501 -2.990 180 HB3 DAR 22 2HB DAR 22 5.249 5.209 -3.378 181 HG2 DAR 22 1HG DAR 22 2.869 3.471 -3.957 182 HG3 DAR 22 2HG DAR 22 4.144 3.821 -5.126 183 HD2 DAR 22 1HD DAR 22 3.630 6.216 -4.961 184 HD3 DAR 22 2HD DAR 22 2.362 5.864 -3.787 185 HE DAR 22 HE DAR 22 1.874 4.377 -6.098 186 HH11 DAR 22 1HH1 DAR 22 1.847 7.764 -5.092 187 HH12 DAR 22 2HH1 DAR 22 0.577 8.229 -6.110 188 HH21 DAR 22 1HH2 DAR 22 0.122 4.973 -7.513 189 HH22 DAR 22 2HH2 DAR 22 -0.442 6.575 -7.547 190 H DGL 23 H DGL 23 5.003 3.542 0.205 191 HA DGL 23 HA DGL 23 7.143 5.384 0.570 192 HB2 DGL 23 1HB DGL 23 7.422 2.994 1.055 193 HB3 DGL 23 2HB DGL 23 6.226 3.108 2.337 194 HG2 DGL 23 1HG DGL 23 7.669 4.595 3.592 195 HG3 DGL 23 2HG DGL 23 8.862 4.559 2.298 196 H DGL 24 H DGL 24 4.091 4.796 2.235 197 HA DGL 24 HA DGL 24 4.740 6.991 4.048 198 HB2 DGL 24 1HB DGL 24 2.467 5.022 4.142 199 HB3 DGL 24 2HB DGL 24 2.742 6.297 5.319 200 HG2 DGL 24 1HG DGL 24 4.891 5.288 5.904 201 HG3 DGL 24 2HG DGL 24 4.595 3.998 4.739 202 H SER 25 H SER 25 2.329 6.155 1.556 203 HA SER 25 HA SER 25 1.493 8.935 1.641 204 HB2 SER 25 2HB SER 25 0.792 6.766 -0.360 205 HB3 SER 25 1HB SER 25 0.525 8.501 -0.549 206 HG SER 25 HG SER 25 2.995 8.467 -0.131 207 H ASP 26 H ASP 26 -0.052 9.225 3.140 208 HA ASP 26 HA ASP 26 -1.833 7.143 4.007 209 HB2 ASP 26 2HB ASP 26 -2.700 8.808 5.569 210 HB3 ASP 26 1HB ASP 26 -0.939 8.804 5.573 Start of MODEL 13 1 H ASN 1 H ASN 1 -1.734 7.445 0.960 2 HA ASN 1 HA ASN 1 -3.710 9.195 -0.331 3 HB2 ASN 1 2HB ASN 1 -1.986 7.001 -1.507 4 HB3 ASN 1 1HB ASN 1 -3.147 7.957 -2.404 5 HD21 ASN 1 1HD2 ASN 1 -2.618 10.119 -2.879 6 HD22 ASN 1 2HD2 ASN 1 -1.001 10.684 -2.780 7 HA PRO 2 HA PRO 2 -6.628 6.003 1.104 8 HB2 PRO 2 2HB PRO 2 -8.228 7.509 -0.926 9 HB3 PRO 2 1HB PRO 2 -8.702 6.966 0.689 10 HG2 PRO 2 2HG PRO 2 -8.093 9.505 0.304 11 HG3 PRO 2 1HG PRO 2 -7.507 8.662 1.751 12 HD2 PRO 2 2HD PRO 2 -6.026 9.433 -0.721 13 HD3 PRO 2 1HD PRO 2 -5.475 9.412 0.966 14 H GLU 3 H GLU 3 -5.912 6.873 -2.200 15 HA GLU 3 HA GLU 3 -7.023 4.721 -3.637 16 HB2 GLU 3 2HB GLU 3 -4.430 6.189 -4.155 17 HB3 GLU 3 1HB GLU 3 -5.314 5.227 -5.326 18 HG2 GLU 3 2HG GLU 3 -7.110 6.788 -5.357 19 HG3 GLU 3 1HG GLU 3 -6.423 7.685 -4.004 20 H LEU 4 H LEU 4 -3.736 5.155 -2.405 21 HA LEU 4 HA LEU 4 -2.844 2.545 -3.010 22 HB2 LEU 4 2HB LEU 4 -1.736 4.782 -1.352 23 HB3 LEU 4 1HB LEU 4 -1.017 3.193 -1.286 24 HG LEU 4 HG LEU 4 0.234 4.643 -2.755 25 HD11 LEU 4 1HD1 LEU 4 0.167 2.272 -3.229 26 HD12 LEU 4 2HD1 LEU 4 0.354 3.227 -4.691 27 HD13 LEU 4 3HD1 LEU 4 -1.212 2.512 -4.307 28 HD21 LEU 4 1HD2 LEU 4 -0.712 5.454 -4.882 29 HD22 LEU 4 2HD2 LEU 4 -1.528 6.164 -3.493 30 HD23 LEU 4 3HD2 LEU 4 -2.298 4.858 -4.393 31 H GLN 5 H GLN 5 -3.955 4.104 -0.069 32 HA GLN 5 HA GLN 5 -3.367 1.948 1.621 33 HB2 GLN 5 2HB GLN 5 -5.413 4.126 2.003 34 HB3 GLN 5 1HB GLN 5 -4.793 3.070 3.269 35 HG2 GLN 5 2HG GLN 5 -2.545 3.948 2.919 36 HG3 GLN 5 1HG GLN 5 -3.151 4.994 1.637 37 HE21 GLN 5 1HE2 GLN 5 -2.945 4.454 5.012 38 HE22 GLN 5 2HE2 GLN 5 -3.584 5.991 5.487 39 H ARG 6 H ARG 6 -6.295 2.700 -0.237 40 HA ARG 6 HA ARG 6 -7.830 0.593 0.800 41 HB2 ARG 6 2HB ARG 6 -8.911 2.313 -0.551 42 HB3 ARG 6 1HB ARG 6 -7.927 1.886 -1.944 43 HG2 ARG 6 2HG ARG 6 -10.160 0.995 -2.211 44 HG3 ARG 6 1HG ARG 6 -9.004 -0.323 -2.013 45 HD2 ARG 6 2HD ARG 6 -9.638 -0.346 0.438 46 HD3 ARG 6 1HD ARG 6 -10.943 0.763 0.014 47 HE ARG 6 HE ARG 6 -10.786 -1.724 -1.451 48 HH11 ARG 6 1HH1 ARG 6 -12.471 0.146 1.071 49 HH12 ARG 6 2HH1 ARG 6 -13.720 -1.003 1.239 50 HH21 ARG 6 1HH2 ARG 6 -12.463 -3.265 -1.170 51 HH22 ARG 6 2HH2 ARG 6 -13.756 -2.947 -0.079 52 H LYS 7 H LYS 7 -5.606 0.791 -1.956 53 HA LYS 7 HA LYS 7 -5.875 -1.832 -2.862 54 HB2 LYS 7 2HB LYS 7 -4.648 -0.145 -4.166 55 HB3 LYS 7 1HB LYS 7 -3.404 -0.071 -2.922 56 HG2 LYS 7 2HG LYS 7 -2.897 -2.458 -3.341 57 HG3 LYS 7 1HG LYS 7 -4.071 -2.446 -4.650 58 HD2 LYS 7 2HD LYS 7 -2.737 -0.747 -5.819 59 HD3 LYS 7 1HD LYS 7 -1.560 -0.768 -4.498 60 HE2 LYS 7 2HE LYS 7 -1.125 -3.138 -4.914 61 HE3 LYS 7 1HE LYS 7 -2.314 -3.133 -6.208 62 HZ1 LYS 7 1HZ LYS 7 -0.220 -2.999 -7.154 63 HZ2 LYS 7 2HZ LYS 7 0.331 -1.784 -6.181 64 HZ3 LYS 7 3HZ LYS 7 -0.881 -1.471 -7.348 65 H CYS 8 H CYS 8 -3.535 -0.455 -0.581 66 HA CYS 8 HA CYS 8 -2.106 -2.735 0.043 67 HB2 CYS 8 2HB CYS 8 -2.797 -0.396 1.817 68 HB3 CYS 8 1HB CYS 8 -1.527 -1.561 2.153 69 H LYS 9 H LYS 9 -4.957 -1.441 1.722 70 HA LYS 9 HA LYS 9 -4.997 -3.479 3.675 71 HB2 LYS 9 2HB LYS 9 -5.924 -1.262 4.053 72 HB3 LYS 9 1HB LYS 9 -7.117 -1.538 2.797 73 HG2 LYS 9 2HG LYS 9 -8.185 -3.240 4.125 74 HG3 LYS 9 1HG LYS 9 -6.930 -3.112 5.355 75 HD2 LYS 9 2HD LYS 9 -8.944 -1.908 6.022 76 HD3 LYS 9 1HD LYS 9 -7.591 -0.802 5.801 77 HE2 LYS 9 2HE LYS 9 -8.431 -0.153 3.628 78 HE3 LYS 9 1HE LYS 9 -9.734 -1.331 3.740 79 HZ1 LYS 9 1HZ LYS 9 -10.477 0.881 4.242 80 HZ2 LYS 9 2HZ LYS 9 -9.364 1.048 5.484 81 HZ3 LYS 9 3HZ LYS 9 -10.625 -0.074 5.617 82 H GLU 10 H GLU 10 -6.539 -3.165 0.532 83 HA GLU 10 HA GLU 10 -8.249 -5.422 1.007 84 HB2 GLU 10 2HB GLU 10 -9.077 -3.594 -0.332 85 HB3 GLU 10 1HB GLU 10 -7.734 -3.750 -1.448 86 HG2 GLU 10 2HG GLU 10 -8.560 -5.756 -2.314 87 HG3 GLU 10 1HG GLU 10 -9.740 -5.935 -1.021 88 H LEU 11 H LEU 11 -5.269 -4.787 -0.724 89 HA LEU 11 HA LEU 11 -5.093 -7.311 -2.010 90 HB2 LEU 11 2HB LEU 11 -3.922 -5.265 -2.777 91 HB3 LEU 11 1HB LEU 11 -2.957 -5.298 -1.325 92 HG LEU 11 HG LEU 11 -1.967 -7.401 -2.022 93 HD11 LEU 11 1HD1 LEU 11 -3.575 -6.990 -4.542 94 HD12 LEU 11 2HD1 LEU 11 -3.735 -8.322 -3.392 95 HD13 LEU 11 3HD1 LEU 11 -2.269 -8.157 -4.358 96 HD21 LEU 11 1HD2 LEU 11 -0.594 -6.482 -3.848 97 HD22 LEU 11 2HD2 LEU 11 -0.850 -5.314 -2.552 98 HD23 LEU 11 3HD2 LEU 11 -1.768 -5.182 -4.053 99 H DAS 12 H DAS 12 -3.520 -5.897 0.835 100 HA DAS 12 HA DAS 12 -3.117 -8.602 1.875 101 HB2 DAS 12 1HB DAS 12 -4.766 -7.398 3.166 102 HB3 DAS 12 2HB DAS 12 -3.713 -5.995 3.278 103 H THR 13 H THR 13 -1.027 -9.136 2.231 104 HA THR 13 HA THR 13 0.827 -6.995 2.920 105 HB THR 13 HB THR 13 1.329 -9.968 3.155 106 HG1 THR 13 1HG THR 13 -0.427 -8.370 4.514 107 HG21 THR 13 1HG2 THR 13 3.274 -8.440 3.404 108 HG22 THR 13 2HG2 THR 13 2.892 -9.265 4.914 109 HG23 THR 13 3HG2 THR 13 2.417 -7.583 4.684 110 H ARG 14 H ARG 14 -0.128 -8.557 0.212 111 HA ARG 14 HA ARG 14 2.319 -9.136 -1.107 112 HB2 ARG 14 2HB ARG 14 -0.361 -8.324 -2.266 113 HB3 ARG 14 1HB ARG 14 0.992 -8.849 -3.230 114 HG2 ARG 14 2HG ARG 14 -0.337 -10.569 -1.145 115 HG3 ARG 14 1HG ARG 14 -0.789 -10.566 -2.846 116 HD2 ARG 14 2HD ARG 14 0.665 -12.406 -2.544 117 HD3 ARG 14 1HD ARG 14 1.615 -11.166 -3.350 118 HE ARG 14 HE ARG 14 1.753 -11.577 -0.445 119 HH11 ARG 14 1HH1 ARG 14 3.415 -11.387 -3.595 120 HH12 ARG 14 2HH1 ARG 14 4.955 -11.618 -2.946 121 HH21 ARG 14 1HH2 ARG 14 3.888 -11.896 0.426 122 HH22 ARG 14 2HH2 ARG 14 5.253 -11.887 -0.583 123 HA DPR 15 HA DPR 15 2.948 -5.089 -3.285 124 HB2 DPR 15 1HB DPR 15 5.750 -6.010 -3.286 125 HB3 DPR 15 2HB DPR 15 4.746 -5.482 -4.640 126 HG2 DPR 15 1HG DPR 15 5.411 -8.053 -4.323 127 HG3 DPR 15 2HG DPR 15 3.813 -7.579 -4.931 128 HD2 DPR 15 1HD DPR 15 4.607 -8.439 -2.173 129 HD3 DPR 15 2HD DPR 15 3.205 -8.929 -3.140 130 H DGL 16 H DGL 16 4.351 -6.562 -0.537 131 HA DGL 16 HA DGL 16 6.154 -4.683 0.480 132 HB2 DGL 16 1HB DGL 16 5.679 -6.964 1.355 133 HB3 DGL 16 2HB DGL 16 4.177 -6.366 2.037 134 HG2 DGL 16 1HG DGL 16 5.777 -6.505 3.778 135 HG3 DGL 16 2HG DGL 16 5.493 -4.802 3.427 136 H DAL 17 H DAL 17 2.681 -4.853 0.630 137 HA DAL 17 HA DAL 17 2.269 -2.770 2.497 138 HB1 DAL 17 1HB DAL 17 -0.055 -2.949 1.882 139 HB2 DAL 17 2HB DAL 17 0.651 -4.558 2.065 140 HB3 DAL 17 3HB DAL 17 0.373 -3.894 0.458 141 H DGL 18 H DGL 18 2.207 -2.931 -1.054 142 HA DGL 18 HA DGL 18 1.303 -0.248 -1.275 143 HB2 DGL 18 1HB DGL 18 1.597 -0.439 -3.660 144 HB3 DGL 18 2HB DGL 18 0.866 -1.913 -3.057 145 HG2 DGL 18 1HG DGL 18 3.102 -2.976 -3.110 146 HG3 DGL 18 2HG DGL 18 3.713 -1.521 -3.893 147 H DAR 19 H DAR 19 4.394 -1.728 -0.987 148 HA DAR 19 HA DAR 19 6.003 0.520 -1.761 149 HB2 DAR 19 1HB DAR 19 6.725 -1.377 0.474 150 HB3 DAR 19 2HB DAR 19 7.817 -0.470 -0.547 151 HG2 DAR 19 1HG DAR 19 6.202 -2.853 -1.338 152 HG3 DAR 19 2HG DAR 19 7.940 -2.776 -1.091 153 HD2 DAR 19 1HD DAR 19 8.147 -1.239 -2.974 154 HD3 DAR 19 2HD DAR 19 6.402 -1.354 -3.241 155 HE DAR 19 HE DAR 19 7.925 -3.811 -3.153 156 HH11 DAR 19 1HH2 DAR 19 7.812 -5.192 -5.007 157 HH12 DAR 19 2HH2 DAR 19 7.102 -4.629 -6.450 158 HH21 DAR 19 1HH1 DAR 19 6.372 -1.393 -5.239 159 HH22 DAR 19 2HH1 DAR 19 6.270 -2.422 -6.583 160 H DLY 20 H DLY 20 4.817 -0.748 1.297 161 HA DLY 20 HA DLY 20 5.691 1.146 3.090 162 HB2 DLY 20 1HB DLY 20 4.566 -0.994 3.677 163 HB3 DLY 20 2HB DLY 20 3.049 -0.325 3.115 164 HG2 DLY 20 1HG DLY 20 3.157 1.388 4.850 165 HG3 DLY 20 2HG DLY 20 4.661 0.671 5.440 166 HD2 DLY 20 1HD DLY 20 3.479 -1.433 5.856 167 HD3 DLY 20 2HD DLY 20 1.974 -0.673 5.333 168 HE2 DLY 20 1HE DLY 20 3.690 0.237 7.635 169 HE3 DLY 20 2HE DLY 20 2.206 -0.699 7.783 170 HZ1 DLY 20 1HZ DLY 20 1.866 1.684 8.169 171 HZ2 DLY 20 2HZ DLY 20 0.949 1.110 6.906 172 HZ3 DLY 20 3HZ DLY 20 2.293 2.050 6.578 173 H DCY 21 H DCY 21 2.596 1.069 1.386 174 HA DCY 21 HA DCY 21 1.612 3.485 2.390 175 HB2 DCY 21 1HB DCY 21 0.945 2.035 -0.159 176 HB3 DCY 21 2HB DCY 21 0.011 3.383 0.498 177 H DAR 22 H DAR 22 3.448 2.827 -0.589 178 HA DAR 22 HA DAR 22 3.243 5.515 -1.510 179 HB2 DAR 22 1HB DAR 22 5.063 3.252 -2.301 180 HB3 DAR 22 2HB DAR 22 5.120 4.840 -3.050 181 HG2 DAR 22 1HG DAR 22 2.855 4.602 -3.839 182 HG3 DAR 22 2HG DAR 22 2.701 3.058 -3.003 183 HD2 DAR 22 1HD DAR 22 4.459 2.111 -4.393 184 HD3 DAR 22 2HD DAR 22 4.649 3.652 -5.232 185 HE DAR 22 HE DAR 22 2.250 3.343 -5.858 186 HH11 DAR 22 1HH1 DAR 22 4.477 0.607 -5.473 187 HH12 DAR 22 2HH1 DAR 22 3.521 -0.481 -6.385 188 HH21 DAR 22 1HH2 DAR 22 1.012 1.860 -7.214 189 HH22 DAR 22 2HH2 DAR 22 1.554 0.264 -7.434 190 H DGL 23 H DGL 23 5.320 3.909 0.701 191 HA DGL 23 HA DGL 23 7.424 5.817 0.581 192 HB2 DGL 23 1HB DGL 23 7.744 3.481 1.341 193 HB3 DGL 23 2HB DGL 23 6.745 3.822 2.746 194 HG2 DGL 23 1HG DGL 23 8.395 5.577 3.396 195 HG3 DGL 23 2HG DGL 23 9.417 5.007 2.081 196 H DGL 24 H DGL 24 4.666 5.249 2.751 197 HA DGL 24 HA DGL 24 5.389 7.540 4.339 198 HB2 DGL 24 1HB DGL 24 3.429 7.022 5.718 199 HB3 DGL 24 2HB DGL 24 4.454 5.633 5.491 200 HG2 DGL 24 1HG DGL 24 2.882 4.819 3.736 201 HG3 DGL 24 2HG DGL 24 1.802 6.146 4.169 202 H SER 25 H SER 25 2.846 6.783 2.022 203 HA SER 25 HA SER 25 2.197 9.617 2.000 204 HB2 SER 25 2HB SER 25 2.136 7.588 -0.237 205 HB3 SER 25 1HB SER 25 1.688 9.290 -0.381 206 HG SER 25 HG SER 25 4.115 8.832 0.770 207 H ASP 26 H ASP 26 0.267 9.949 2.870 208 HA ASP 26 HA ASP 26 -1.567 7.766 3.242 209 HB2 ASP 26 2HB ASP 26 -1.856 10.687 4.000 210 HB3 ASP 26 1HB ASP 26 -3.038 9.448 4.377 Start of MODEL 14 1 H ASN 1 H ASN 1 -1.605 8.091 0.681 2 HA ASN 1 HA ASN 1 -3.948 9.605 -0.055 3 HB2 ASN 1 2HB ASN 1 -2.143 9.296 -1.689 4 HB3 ASN 1 1HB ASN 1 -2.326 7.551 -1.567 5 HD21 ASN 1 1HD2 ASN 1 -3.594 10.466 -2.919 6 HD22 ASN 1 2HD2 ASN 1 -4.762 9.696 -3.932 7 HA PRO 2 HA PRO 2 -6.757 6.520 1.575 8 HB2 PRO 2 2HB PRO 2 -8.511 7.684 -0.535 9 HB3 PRO 2 1HB PRO 2 -8.860 7.381 1.172 10 HG2 PRO 2 2HG PRO 2 -8.340 9.843 0.350 11 HG3 PRO 2 1HG PRO 2 -7.675 9.248 1.881 12 HD2 PRO 2 2HD PRO 2 -6.313 9.652 -0.743 13 HD3 PRO 2 1HD PRO 2 -5.707 9.897 0.910 14 H GLU 3 H GLU 3 -6.519 6.936 -1.948 15 HA GLU 3 HA GLU 3 -7.733 4.440 -2.536 16 HB2 GLU 3 2HB GLU 3 -7.712 6.337 -4.114 17 HB3 GLU 3 1HB GLU 3 -5.972 6.147 -4.281 18 HG2 GLU 3 2HG GLU 3 -6.295 3.914 -5.196 19 HG3 GLU 3 1HG GLU 3 -8.040 4.104 -5.036 20 H LEU 4 H LEU 4 -4.381 5.589 -2.419 21 HA LEU 4 HA LEU 4 -3.181 3.169 -3.165 22 HB2 LEU 4 2HB LEU 4 -2.076 5.337 -1.383 23 HB3 LEU 4 1HB LEU 4 -1.146 4.077 -2.151 24 HG LEU 4 HG LEU 4 -2.553 6.372 -3.507 25 HD11 LEU 4 1HD1 LEU 4 0.364 5.670 -3.276 26 HD12 LEU 4 2HD1 LEU 4 -0.464 6.976 -2.429 27 HD13 LEU 4 3HD1 LEU 4 -0.304 7.025 -4.184 28 HD21 LEU 4 1HD2 LEU 4 -2.754 4.380 -4.895 29 HD22 LEU 4 2HD2 LEU 4 -1.019 4.094 -4.751 30 HD23 LEU 4 3HD2 LEU 4 -1.610 5.521 -5.601 31 H GLN 5 H GLN 5 -4.254 4.422 -0.090 32 HA GLN 5 HA GLN 5 -3.084 2.377 1.476 33 HB2 GLN 5 2HB GLN 5 -5.297 4.319 2.086 34 HB3 GLN 5 1HB GLN 5 -4.626 3.208 3.278 35 HG2 GLN 5 2HG GLN 5 -2.426 4.216 2.982 36 HG3 GLN 5 1HG GLN 5 -3.084 5.302 1.770 37 HE21 GLN 5 1HE2 GLN 5 -5.583 5.765 3.284 38 HE22 GLN 5 2HE2 GLN 5 -5.115 6.803 4.564 39 H ARG 6 H ARG 6 -6.395 2.769 0.192 40 HA ARG 6 HA ARG 6 -7.238 0.305 1.339 41 HB2 ARG 6 2HB ARG 6 -9.222 0.407 -0.114 42 HB3 ARG 6 1HB ARG 6 -8.936 1.940 0.686 43 HG2 ARG 6 2HG ARG 6 -8.084 2.894 -1.320 44 HG3 ARG 6 1HG ARG 6 -8.147 1.336 -2.149 45 HD2 ARG 6 2HD ARG 6 -10.536 2.801 -1.036 46 HD3 ARG 6 1HD ARG 6 -10.046 2.829 -2.732 47 HE ARG 6 HE ARG 6 -10.308 0.165 -1.947 48 HH11 ARG 6 1HH1 ARG 6 -12.459 2.961 -2.340 49 HH12 ARG 6 2HH1 ARG 6 -13.798 2.046 -2.839 50 HH21 ARG 6 1HH2 ARG 6 -12.161 -1.106 -2.616 51 HH22 ARG 6 2HH2 ARG 6 -13.622 -0.327 -2.989 52 H LYS 7 H LYS 7 -5.571 1.121 -1.540 53 HA LYS 7 HA LYS 7 -5.858 -1.211 -3.058 54 HB2 LYS 7 2HB LYS 7 -4.707 0.994 -3.658 55 HB3 LYS 7 1HB LYS 7 -3.329 0.416 -2.747 56 HG2 LYS 7 2HG LYS 7 -2.915 0.037 -5.057 57 HG3 LYS 7 1HG LYS 7 -3.212 -1.529 -4.297 58 HD2 LYS 7 2HD LYS 7 -5.448 -1.592 -5.134 59 HD3 LYS 7 1HD LYS 7 -5.333 0.067 -5.717 60 HE2 LYS 7 2HE LYS 7 -3.622 -0.614 -7.310 61 HE3 LYS 7 1HE LYS 7 -3.718 -2.273 -6.720 62 HZ1 LYS 7 1HZ LYS 7 -6.038 -2.314 -7.441 63 HZ2 LYS 7 2HZ LYS 7 -5.011 -1.995 -8.731 64 HZ3 LYS 7 3HZ LYS 7 -5.900 -0.746 -8.038 65 H CYS 8 H CYS 8 -3.526 -0.306 -0.550 66 HA CYS 8 HA CYS 8 -2.114 -2.750 -0.492 67 HB2 CYS 8 2HB CYS 8 -2.425 -0.706 1.692 68 HB3 CYS 8 1HB CYS 8 -1.176 -1.945 1.595 69 H LYS 9 H LYS 9 -5.031 -1.641 1.074 70 HA LYS 9 HA LYS 9 -5.058 -3.743 3.003 71 HB2 LYS 9 2HB LYS 9 -6.198 -1.586 3.379 72 HB3 LYS 9 1HB LYS 9 -7.322 -1.961 2.083 73 HG2 LYS 9 2HG LYS 9 -8.202 -3.843 3.334 74 HG3 LYS 9 1HG LYS 9 -7.000 -3.587 4.592 75 HD2 LYS 9 2HD LYS 9 -9.140 -1.606 3.827 76 HD3 LYS 9 1HD LYS 9 -9.235 -2.710 5.199 77 HE2 LYS 9 2HE LYS 9 -7.186 -1.694 6.118 78 HE3 LYS 9 1HE LYS 9 -7.172 -0.557 4.773 79 HZ1 LYS 9 1HZ LYS 9 -9.343 -0.784 6.770 80 HZ2 LYS 9 2HZ LYS 9 -9.254 0.362 5.544 81 HZ3 LYS 9 3HZ LYS 9 -8.121 0.359 6.791 82 H GLU 10 H GLU 10 -6.257 -3.291 -0.228 83 HA GLU 10 HA GLU 10 -7.876 -5.604 -0.319 84 HB2 GLU 10 2HB GLU 10 -8.061 -3.628 -1.831 85 HB3 GLU 10 1HB GLU 10 -6.528 -4.085 -2.557 86 HG2 GLU 10 2HG GLU 10 -8.393 -4.774 -3.924 87 HG3 GLU 10 1HG GLU 10 -7.488 -6.164 -3.312 88 H LEU 11 H LEU 11 -4.544 -4.841 -1.165 89 HA LEU 11 HA LEU 11 -3.858 -7.429 -2.131 90 HB2 LEU 11 2HB LEU 11 -2.200 -5.127 -1.150 91 HB3 LEU 11 1HB LEU 11 -1.491 -6.603 -1.761 92 HG LEU 11 HG LEU 11 -3.267 -4.749 -3.349 93 HD11 LEU 11 1HD1 LEU 11 -1.104 -3.738 -2.821 94 HD12 LEU 11 2HD1 LEU 11 -1.213 -4.158 -4.529 95 HD13 LEU 11 3HD1 LEU 11 -0.279 -5.174 -3.429 96 HD21 LEU 11 1HD2 LEU 11 -2.469 -6.124 -5.253 97 HD22 LEU 11 2HD2 LEU 11 -3.458 -7.028 -4.117 98 HD23 LEU 11 3HD2 LEU 11 -1.705 -7.217 -4.101 99 H DAS 12 H DAS 12 -3.622 -5.875 0.997 100 HA DAS 12 HA DAS 12 -3.132 -8.483 2.195 101 HB2 DAS 12 1HB DAS 12 -5.029 -7.280 3.128 102 HB3 DAS 12 2HB DAS 12 -4.016 -5.870 3.432 103 H THR 13 H THR 13 -1.066 -8.907 2.448 104 HA THR 13 HA THR 13 0.659 -6.723 3.320 105 HB THR 13 HB THR 13 0.537 -8.745 4.797 106 HG1 THR 13 1HG THR 13 2.379 -7.470 4.763 107 HG21 THR 13 1HG2 THR 13 0.249 -10.471 3.112 108 HG22 THR 13 2HG2 THR 13 1.680 -10.820 4.082 109 HG23 THR 13 3HG2 THR 13 1.854 -10.140 2.463 110 H ARG 14 H ARG 14 -0.260 -8.379 0.663 111 HA ARG 14 HA ARG 14 2.132 -8.922 -0.722 112 HB2 ARG 14 2HB ARG 14 -0.686 -8.475 -1.710 113 HB3 ARG 14 1HB ARG 14 0.639 -8.975 -2.753 114 HG2 ARG 14 2HG ARG 14 0.925 -10.993 -1.448 115 HG3 ARG 14 1HG ARG 14 -0.344 -10.476 -0.344 116 HD2 ARG 14 2HD ARG 14 -1.970 -10.571 -2.148 117 HD3 ARG 14 1HD ARG 14 -0.706 -11.039 -3.287 118 HE ARG 14 HE ARG 14 -0.462 -12.910 -1.429 119 HH11 ARG 14 1HH1 ARG 14 -3.306 -11.756 -3.188 120 HH12 ARG 14 2HH1 ARG 14 -4.169 -13.208 -3.047 121 HH21 ARG 14 1HH2 ARG 14 -1.656 -14.943 -1.243 122 HH22 ARG 14 2HH2 ARG 14 -3.211 -15.063 -1.918 123 HA DPR 15 HA DPR 15 2.446 -5.023 -3.059 124 HB2 DPR 15 1HB DPR 15 4.904 -5.431 -4.060 125 HB3 DPR 15 2HB DPR 15 3.473 -6.176 -4.791 126 HG2 DPR 15 1HG DPR 15 5.518 -7.372 -2.972 127 HG3 DPR 15 2HG DPR 15 4.741 -8.072 -4.402 128 HD2 DPR 15 1HD DPR 15 3.987 -8.591 -1.803 129 HD3 DPR 15 2HD DPR 15 2.916 -8.765 -3.208 130 H DGL 16 H DGL 16 4.083 -6.533 -0.513 131 HA DGL 16 HA DGL 16 6.120 -4.595 -0.055 132 HB2 DGL 16 1HB DGL 16 6.054 -7.017 0.752 133 HB3 DGL 16 2HB DGL 16 4.921 -6.467 1.979 134 HG2 DGL 16 1HG DGL 16 7.187 -6.612 2.844 135 HG3 DGL 16 2HG DGL 16 6.585 -4.952 2.865 136 H DAL 17 H DAL 17 2.852 -5.155 1.079 137 HA DAL 17 HA DAL 17 2.740 -2.986 2.895 138 HB1 DAL 17 1HB DAL 17 0.505 -4.285 1.342 139 HB2 DAL 17 2HB DAL 17 0.312 -3.207 2.726 140 HB3 DAL 17 3HB DAL 17 1.092 -4.774 2.932 141 H DGL 18 H DGL 18 2.121 -3.342 -0.536 142 HA DGL 18 HA DGL 18 1.099 -0.786 -1.058 143 HB2 DGL 18 1HB DGL 18 1.003 -2.606 -2.714 144 HB3 DGL 18 2HB DGL 18 2.753 -2.558 -2.874 145 HG2 DGL 18 1HG DGL 18 2.597 -0.266 -3.736 146 HG3 DGL 18 2HG DGL 18 0.841 -0.358 -3.610 147 H DAR 19 H DAR 19 4.384 -2.030 -1.074 148 HA DAR 19 HA DAR 19 5.764 0.293 -1.759 149 HB2 DAR 19 1HB DAR 19 6.643 -1.944 0.079 150 HB3 DAR 19 2HB DAR 19 7.715 -0.723 -0.593 151 HG2 DAR 19 1HG DAR 19 7.291 -1.507 -2.820 152 HG3 DAR 19 2HG DAR 19 6.116 -2.674 -2.215 153 HD2 DAR 19 1HD DAR 19 7.907 -3.760 -0.910 154 HD3 DAR 19 2HD DAR 19 9.062 -2.625 -1.610 155 HE DAR 19 HE DAR 19 7.966 -3.647 -3.788 156 HH11 DAR 19 1HH2 DAR 19 8.622 -5.498 -4.941 157 HH12 DAR 19 2HH2 DAR 19 9.348 -6.828 -4.159 158 HH21 DAR 19 1HH1 DAR 19 9.129 -5.406 -0.889 159 HH22 DAR 19 2HH1 DAR 19 9.631 -6.740 -1.788 160 H DLY 20 H DLY 20 4.793 -0.921 1.413 161 HA DLY 20 HA DLY 20 5.846 1.113 2.998 162 HB2 DLY 20 1HB DLY 20 4.800 -0.968 3.892 163 HB3 DLY 20 2HB DLY 20 3.222 -0.341 3.442 164 HG2 DLY 20 1HG DLY 20 3.475 0.052 5.762 165 HG3 DLY 20 2HG DLY 20 3.680 1.612 4.962 166 HD2 DLY 20 1HD DLY 20 6.171 1.183 5.030 167 HD3 DLY 20 2HD DLY 20 5.822 -0.176 6.095 168 HE2 DLY 20 1HE DLY 20 6.355 1.666 7.500 169 HE3 DLY 20 2HE DLY 20 4.609 1.442 7.583 170 HZ1 DLY 20 1HZ DLY 20 4.303 3.244 6.027 171 HZ2 DLY 20 2HZ DLY 20 6.008 3.418 5.896 172 HZ3 DLY 20 3HZ DLY 20 5.232 3.764 7.342 173 H DCY 21 H DCY 21 2.685 0.899 1.390 174 HA DCY 21 HA DCY 21 1.674 3.383 2.218 175 HB2 DCY 21 1HB DCY 21 1.112 1.877 -0.327 176 HB3 DCY 21 2HB DCY 21 0.141 3.208 0.294 177 H DAR 22 H DAR 22 3.676 2.469 -0.523 178 HA DAR 22 HA DAR 22 3.545 4.939 -1.874 179 HB2 DAR 22 1HB DAR 22 5.850 2.991 -1.858 180 HB3 DAR 22 2HB DAR 22 5.603 4.273 -3.024 181 HG2 DAR 22 1HG DAR 22 3.993 1.765 -2.691 182 HG3 DAR 22 2HG DAR 22 4.982 2.236 -4.066 183 HD2 DAR 22 1HD DAR 22 2.361 3.420 -3.187 184 HD3 DAR 22 2HD DAR 22 2.726 2.572 -4.687 185 HE DAR 22 HE DAR 22 4.288 4.931 -4.359 186 HH11 DAR 22 1HH1 DAR 22 1.271 3.636 -5.642 187 HH12 DAR 22 2HH1 DAR 22 0.885 5.058 -6.507 188 HH21 DAR 22 1HH2 DAR 22 3.706 6.888 -5.495 189 HH22 DAR 22 2HH2 DAR 22 2.277 6.926 -6.413 190 H DGL 23 H DGL 23 5.776 3.661 0.487 191 HA DGL 23 HA DGL 23 7.617 5.701 0.728 192 HB2 DGL 23 1HB DGL 23 7.906 3.562 1.794 193 HB3 DGL 23 2HB DGL 23 6.463 3.794 2.763 194 HG2 DGL 23 1HG DGL 23 7.583 5.667 3.915 195 HG3 DGL 23 2HG DGL 23 9.056 5.286 3.026 196 H DGL 24 H DGL 24 4.691 5.216 2.680 197 HA DGL 24 HA DGL 24 5.110 7.735 3.997 198 HB2 DGL 24 1HB DGL 24 3.122 7.151 5.318 199 HB3 DGL 24 2HB DGL 24 4.352 5.899 5.332 200 HG2 DGL 24 1HG DGL 24 3.066 4.666 3.625 201 HG3 DGL 24 2HG DGL 24 1.796 5.884 3.754 202 H SER 25 H SER 25 2.892 6.556 1.534 203 HA SER 25 HA SER 25 2.000 9.284 1.267 204 HB2 SER 25 2HB SER 25 1.731 6.913 -0.598 205 HB3 SER 25 1HB SER 25 1.110 8.530 -0.939 206 HG SER 25 HG SER 25 3.818 7.714 -0.639 207 H ASP 26 H ASP 26 0.340 9.736 2.434 208 HA ASP 26 HA ASP 26 -1.517 7.789 3.467 209 HB2 ASP 26 2HB ASP 26 -2.476 9.768 4.657 210 HB3 ASP 26 1HB ASP 26 -0.757 9.538 4.942 Start of MODEL 15 1 H ASN 1 H ASN 1 -1.326 8.623 0.796 2 HA ASN 1 HA ASN 1 -3.843 9.535 0.072 3 HB2 ASN 1 2HB ASN 1 -2.212 7.426 -1.364 4 HB3 ASN 1 1HB ASN 1 -3.578 8.280 -2.058 5 HD21 ASN 1 1HD2 ASN 1 -2.649 10.838 -0.695 6 HD22 ASN 1 2HD2 ASN 1 -1.333 11.355 -1.662 7 HA PRO 2 HA PRO 2 -6.388 6.559 2.096 8 HB2 PRO 2 2HB PRO 2 -8.741 7.308 0.812 9 HB3 PRO 2 1HB PRO 2 -8.096 8.035 2.285 10 HG2 PRO 2 2HG PRO 2 -7.898 8.968 -0.538 11 HG3 PRO 2 1HG PRO 2 -8.098 9.913 0.945 12 HD2 PRO 2 2HD PRO 2 -5.758 9.754 -0.322 13 HD3 PRO 2 1HD PRO 2 -5.842 9.832 1.451 14 H GLU 3 H GLU 3 -6.854 6.960 -1.426 15 HA GLU 3 HA GLU 3 -8.058 4.384 -1.629 16 HB2 GLU 3 2HB GLU 3 -8.569 6.262 -3.184 17 HB3 GLU 3 1HB GLU 3 -6.951 6.105 -3.851 18 HG2 GLU 3 2HG GLU 3 -8.670 5.034 -5.239 19 HG3 GLU 3 1HG GLU 3 -7.446 3.901 -4.670 20 H LEU 4 H LEU 4 -4.839 5.605 -1.855 21 HA LEU 4 HA LEU 4 -3.755 3.277 -3.069 22 HB2 LEU 4 2HB LEU 4 -2.608 5.498 -3.045 23 HB3 LEU 4 1HB LEU 4 -2.371 5.320 -1.324 24 HG LEU 4 HG LEU 4 -0.916 3.357 -1.743 25 HD11 LEU 4 1HD1 LEU 4 -1.863 2.605 -3.847 26 HD12 LEU 4 2HD1 LEU 4 -0.134 2.901 -4.011 27 HD13 LEU 4 3HD1 LEU 4 -1.291 4.070 -4.644 28 HD21 LEU 4 1HD2 LEU 4 0.084 5.566 -1.494 29 HD22 LEU 4 2HD2 LEU 4 -0.136 5.870 -3.214 30 HD23 LEU 4 3HD2 LEU 4 0.974 4.609 -2.680 31 H GLN 5 H GLN 5 -4.307 4.329 0.251 32 HA GLN 5 HA GLN 5 -3.186 2.013 1.433 33 HB2 GLN 5 2HB GLN 5 -5.265 3.919 2.524 34 HB3 GLN 5 1HB GLN 5 -4.565 2.608 3.462 35 HG2 GLN 5 2HG GLN 5 -2.313 3.647 3.025 36 HG3 GLN 5 1HG GLN 5 -3.185 5.026 2.352 37 HE21 GLN 5 1HE2 GLN 5 -4.280 6.418 3.739 38 HE22 GLN 5 2HE2 GLN 5 -4.098 6.308 5.454 39 H ARG 6 H ARG 6 -6.361 2.733 0.170 40 HA ARG 6 HA ARG 6 -7.690 0.386 0.996 41 HB2 ARG 6 2HB ARG 6 -8.075 2.096 -1.456 42 HB3 ARG 6 1HB ARG 6 -9.105 0.730 -1.090 43 HG2 ARG 6 2HG ARG 6 -8.761 3.201 0.596 44 HG3 ARG 6 1HG ARG 6 -10.133 2.819 -0.449 45 HD2 ARG 6 2HD ARG 6 -10.510 0.774 0.922 46 HD3 ARG 6 1HD ARG 6 -9.258 1.343 2.021 47 HE ARG 6 HE ARG 6 -11.492 3.108 1.464 48 HH11 ARG 6 1HH1 ARG 6 -9.808 1.025 3.765 49 HH12 ARG 6 2HH1 ARG 6 -10.820 1.385 5.076 50 HH21 ARG 6 1HH2 ARG 6 -12.907 3.633 3.279 51 HH22 ARG 6 2HH2 ARG 6 -12.642 2.883 4.779 52 H LYS 7 H LYS 7 -5.743 1.112 -1.823 53 HA LYS 7 HA LYS 7 -5.886 -1.263 -3.255 54 HB2 LYS 7 2HB LYS 7 -4.748 0.787 -4.019 55 HB3 LYS 7 1HB LYS 7 -3.502 0.536 -2.812 56 HG2 LYS 7 2HG LYS 7 -2.971 -1.629 -3.954 57 HG3 LYS 7 1HG LYS 7 -4.069 -1.125 -5.242 58 HD2 LYS 7 2HD LYS 7 -2.735 0.933 -5.524 59 HD3 LYS 7 1HD LYS 7 -1.617 0.343 -4.299 60 HE2 LYS 7 2HE LYS 7 -1.201 -1.648 -5.707 61 HE3 LYS 7 1HE LYS 7 -2.215 -0.927 -6.959 62 HZ1 LYS 7 1HZ LYS 7 0.304 0.132 -5.851 63 HZ2 LYS 7 2HZ LYS 7 -0.676 0.992 -6.933 64 HZ3 LYS 7 3HZ LYS 7 0.065 -0.450 -7.412 65 H CYS 8 H CYS 8 -3.736 -0.327 -0.651 66 HA CYS 8 HA CYS 8 -2.269 -2.698 -0.482 67 HB2 CYS 8 2HB CYS 8 -2.847 -0.586 1.573 68 HB3 CYS 8 1HB CYS 8 -1.591 -1.806 1.738 69 H LYS 9 H LYS 9 -5.236 -1.654 1.110 70 HA LYS 9 HA LYS 9 -5.379 -3.914 2.815 71 HB2 LYS 9 2HB LYS 9 -6.544 -1.794 3.314 72 HB3 LYS 9 1HB LYS 9 -7.582 -2.038 1.920 73 HG2 LYS 9 2HG LYS 9 -8.574 -3.981 2.942 74 HG3 LYS 9 1HG LYS 9 -7.448 -3.878 4.293 75 HD2 LYS 9 2HD LYS 9 -8.387 -1.759 4.965 76 HD3 LYS 9 1HD LYS 9 -9.458 -1.756 3.564 77 HE2 LYS 9 2HE LYS 9 -10.597 -3.726 4.395 78 HE3 LYS 9 1HE LYS 9 -9.468 -3.837 5.744 79 HZ1 LYS 9 1HZ LYS 9 -10.293 -1.746 6.565 80 HZ2 LYS 9 2HZ LYS 9 -11.561 -2.831 6.400 81 HZ3 LYS 9 3HZ LYS 9 -11.352 -1.595 5.266 82 H GLU 10 H GLU 10 -6.357 -3.297 -0.454 83 HA GLU 10 HA GLU 10 -7.843 -5.744 -0.713 84 HB2 GLU 10 2HB GLU 10 -6.721 -3.874 -2.808 85 HB3 GLU 10 1HB GLU 10 -7.736 -5.261 -3.165 86 HG2 GLU 10 2HG GLU 10 -9.562 -4.245 -1.903 87 HG3 GLU 10 1HG GLU 10 -8.520 -2.872 -1.528 88 H LEU 11 H LEU 11 -4.589 -4.713 -1.051 89 HA LEU 11 HA LEU 11 -3.686 -7.057 -2.474 90 HB2 LEU 11 2HB LEU 11 -2.759 -4.762 -2.810 91 HB3 LEU 11 1HB LEU 11 -2.131 -4.818 -1.183 92 HG LEU 11 HG LEU 11 -0.567 -6.584 -1.817 93 HD11 LEU 11 1HD1 LEU 11 -1.782 -6.304 -4.568 94 HD12 LEU 11 2HD1 LEU 11 -1.919 -7.717 -3.516 95 HD13 LEU 11 3HD1 LEU 11 -0.350 -7.248 -4.166 96 HD21 LEU 11 1HD2 LEU 11 -0.564 -4.256 -3.733 97 HD22 LEU 11 2HD2 LEU 11 0.825 -5.264 -3.320 98 HD23 LEU 11 3HD2 LEU 11 0.080 -4.242 -2.092 99 H DAS 12 H DAS 12 -4.156 -6.132 0.762 100 HA DAS 12 HA DAS 12 -3.274 -8.746 1.660 101 HB2 DAS 12 1HB DAS 12 -5.432 -7.906 2.475 102 HB3 DAS 12 2HB DAS 12 -4.634 -6.507 3.183 103 H THR 13 H THR 13 -1.192 -8.916 1.960 104 HA THR 13 HA THR 13 0.220 -6.644 3.118 105 HB THR 13 HB THR 13 -0.273 -8.332 4.905 106 HG1 THR 13 1HG THR 13 1.878 -7.069 4.522 107 HG21 THR 13 1HG2 THR 13 0.930 -10.488 4.885 108 HG22 THR 13 2HG2 THR 13 1.515 -10.134 3.259 109 HG23 THR 13 3HG2 THR 13 -0.210 -10.367 3.542 110 H ARG 14 H ARG 14 -0.166 -8.202 0.467 111 HA ARG 14 HA ARG 14 2.428 -9.261 -0.060 112 HB2 ARG 14 2HB ARG 14 -0.081 -8.965 -1.659 113 HB3 ARG 14 1HB ARG 14 1.433 -9.230 -2.511 114 HG2 ARG 14 2HG ARG 14 0.281 -11.335 -2.161 115 HG3 ARG 14 1HG ARG 14 1.783 -11.292 -1.259 116 HD2 ARG 14 2HD ARG 14 0.082 -12.300 0.109 117 HD3 ARG 14 1HD ARG 14 0.503 -10.732 0.779 118 HE ARG 14 HE ARG 14 -1.629 -10.155 -0.768 119 HH11 ARG 14 1HH1 ARG 14 -1.150 -12.637 1.738 120 HH12 ARG 14 2HH1 ARG 14 -2.782 -12.674 2.187 121 HH21 ARG 14 1HH2 ARG 14 -3.863 -10.206 -0.105 122 HH22 ARG 14 2HH2 ARG 14 -4.348 -11.256 1.125 123 HA DPR 15 HA DPR 15 3.769 -5.876 -2.860 124 HB2 DPR 15 1HB DPR 15 6.438 -6.422 -2.591 125 HB3 DPR 15 2HB DPR 15 5.404 -7.184 -3.803 126 HG2 DPR 15 1HG DPR 15 6.321 -8.229 -1.162 127 HG3 DPR 15 2HG DPR 15 6.176 -9.068 -2.716 128 HD2 DPR 15 1HD DPR 15 4.350 -9.330 -0.748 129 HD3 DPR 15 2HD DPR 15 3.916 -9.408 -2.467 130 H DGL 16 H DGL 16 4.532 -6.786 0.385 131 HA DGL 16 HA DGL 16 6.124 -4.647 1.268 132 HB2 DGL 16 1HB DGL 16 5.528 -6.806 2.498 133 HB3 DGL 16 2HB DGL 16 3.982 -6.086 2.876 134 HG2 DGL 16 1HG DGL 16 6.635 -4.991 3.790 135 HG3 DGL 16 2HG DGL 16 5.601 -6.032 4.747 136 H DAL 17 H DAL 17 2.644 -5.107 1.159 137 HA DAL 17 HA DAL 17 1.719 -2.815 2.388 138 HB1 DAL 17 1HB DAL 17 0.509 -4.307 0.063 139 HB2 DAL 17 2HB DAL 17 -0.353 -3.184 1.106 140 HB3 DAL 17 3HB DAL 17 0.284 -4.689 1.770 141 H DGL 18 H DGL 18 2.397 -3.341 -1.014 142 HA DGL 18 HA DGL 18 1.695 -0.933 -2.180 143 HB2 DGL 18 1HB DGL 18 2.477 -2.975 -3.361 144 HB3 DGL 18 2HB DGL 18 4.109 -2.646 -2.813 145 HG2 DGL 18 1HG DGL 18 4.061 -1.895 -5.018 146 HG3 DGL 18 2HG DGL 18 3.921 -0.441 -4.029 147 H DAR 19 H DAR 19 4.760 -1.844 -0.708 148 HA DAR 19 HA DAR 19 6.031 0.675 -1.250 149 HB2 DAR 19 1HB DAR 19 6.920 -1.690 0.378 150 HB3 DAR 19 2HB DAR 19 7.817 -0.182 0.388 151 HG2 DAR 19 1HG DAR 19 8.854 -1.702 -1.155 152 HG3 DAR 19 2HG DAR 19 8.135 -0.366 -2.049 153 HD2 DAR 19 1HD DAR 19 6.220 -1.731 -2.607 154 HD3 DAR 19 2HD DAR 19 6.911 -3.085 -1.720 155 HE DAR 19 HE DAR 19 8.770 -2.235 -3.605 156 HH11 DAR 19 1HH2 DAR 19 9.062 -3.409 -5.631 157 HH12 DAR 19 2HH2 DAR 19 7.821 -4.421 -6.186 158 HH21 DAR 19 1HH1 DAR 19 5.606 -3.794 -3.507 159 HH22 DAR 19 2HH1 DAR 19 5.803 -4.632 -4.982 160 H DLY 20 H DLY 20 4.700 -0.871 1.600 161 HA DLY 20 HA DLY 20 5.193 0.990 3.567 162 HB2 DLY 20 1HB DLY 20 4.172 -1.146 4.060 163 HB3 DLY 20 2HB DLY 20 2.784 -0.775 3.063 164 HG2 DLY 20 1HG DLY 20 2.123 -0.638 5.338 165 HG3 DLY 20 2HG DLY 20 2.118 0.979 4.656 166 HD2 DLY 20 1HD DLY 20 3.041 1.283 6.756 167 HD3 DLY 20 2HD DLY 20 4.433 1.265 5.687 168 HE2 DLY 20 1HE DLY 20 3.518 -1.169 7.206 169 HE3 DLY 20 2HE DLY 20 4.676 -0.025 7.861 170 HZ1 DLY 20 1HZ DLY 20 6.124 -0.500 5.957 171 HZ2 DLY 20 2HZ DLY 20 5.113 -1.781 5.473 172 HZ3 DLY 20 3HZ DLY 20 5.866 -1.790 6.963 173 H DCY 21 H DCY 21 2.591 0.962 1.192 174 HA DCY 21 HA DCY 21 1.424 3.359 2.177 175 HB2 DCY 21 1HB DCY 21 1.024 1.748 -0.310 176 HB3 DCY 21 2HB DCY 21 0.028 3.148 0.088 177 H DAR 22 H DAR 22 3.234 2.607 -0.846 178 HA DAR 22 HA DAR 22 2.946 5.238 -1.849 179 HB2 DAR 22 1HB DAR 22 4.305 4.599 -3.705 180 HB3 DAR 22 2HB DAR 22 3.298 3.221 -3.289 181 HG2 DAR 22 1HG DAR 22 5.128 2.164 -2.170 182 HG3 DAR 22 2HG DAR 22 6.171 3.551 -2.456 183 HD2 DAR 22 1HD DAR 22 5.823 3.149 -4.932 184 HD3 DAR 22 2HD DAR 22 5.084 1.608 -4.471 185 HE DAR 22 HE DAR 22 7.651 2.151 -3.322 186 HH11 DAR 22 1HH1 DAR 22 6.003 0.638 -6.107 187 HH12 DAR 22 2HH1 DAR 22 7.305 -0.389 -6.490 188 HH21 DAR 22 1HH2 DAR 22 9.433 0.689 -3.887 189 HH22 DAR 22 2HH2 DAR 22 9.277 -0.364 -5.214 190 H DGL 23 H DGL 23 5.543 3.802 0.089 191 HA DGL 23 HA DGL 23 7.431 5.807 -0.629 192 HB2 DGL 23 1HB DGL 23 7.434 3.974 1.767 193 HB3 DGL 23 2HB DGL 23 8.787 4.962 1.245 194 HG2 DGL 23 1HG DGL 23 7.569 2.635 -0.218 195 HG3 DGL 23 2HG DGL 23 9.157 2.705 0.535 196 H DGL 24 H DGL 24 5.032 5.540 1.846 197 HA DGL 24 HA DGL 24 6.040 7.927 3.148 198 HB2 DGL 24 1HB DGL 24 3.781 6.073 3.858 199 HB3 DGL 24 2HB DGL 24 4.122 7.552 4.739 200 HG2 DGL 24 1HG DGL 24 6.360 6.697 5.277 201 HG3 DGL 24 2HG DGL 24 5.965 5.196 4.439 202 H SER 25 H SER 25 2.879 6.870 1.921 203 HA SER 25 HA SER 25 2.192 9.658 1.717 204 HB2 SER 25 2HB SER 25 1.007 9.068 -0.496 205 HB3 SER 25 1HB SER 25 2.759 9.242 -0.538 206 HG SER 25 HG SER 25 2.053 6.682 0.027 207 H ASP 26 H ASP 26 0.193 10.100 2.399 208 HA ASP 26 HA ASP 26 -1.157 7.900 3.743 209 HB2 ASP 26 2HB ASP 26 -2.441 9.630 4.927 210 HB3 ASP 26 1HB ASP 26 -0.710 9.892 5.071 Start of MODEL 16 1 H ASN 1 H ASN 1 -1.529 8.844 0.303 2 HA ASN 1 HA ASN 1 -4.137 9.687 -0.348 3 HB2 ASN 1 2HB ASN 1 -2.392 9.392 -2.066 4 HB3 ASN 1 1HB ASN 1 -2.460 7.646 -1.824 5 HD21 ASN 1 1HD2 ASN 1 -4.025 10.406 -3.147 6 HD22 ASN 1 2HD2 ASN 1 -5.246 9.557 -4.012 7 HA PRO 2 HA PRO 2 -6.402 6.479 1.674 8 HB2 PRO 2 2HB PRO 2 -8.817 6.935 0.420 9 HB3 PRO 2 1HB PRO 2 -8.225 7.844 1.813 10 HG2 PRO 2 2HG PRO 2 -8.122 8.542 -1.089 11 HG3 PRO 2 1HG PRO 2 -8.477 9.584 0.300 12 HD2 PRO 2 2HD PRO 2 -6.095 9.597 -0.911 13 HD3 PRO 2 1HD PRO 2 -6.238 9.815 0.848 14 H GLU 3 H GLU 3 -6.487 6.794 -1.849 15 HA GLU 3 HA GLU 3 -7.674 4.225 -2.189 16 HB2 GLU 3 2HB GLU 3 -6.320 5.997 -4.219 17 HB3 GLU 3 1HB GLU 3 -7.214 4.530 -4.599 18 HG2 GLU 3 2HG GLU 3 -8.292 7.073 -3.416 19 HG3 GLU 3 1HG GLU 3 -8.642 6.390 -5.005 20 H LEU 4 H LEU 4 -4.420 5.472 -2.227 21 HA LEU 4 HA LEU 4 -3.191 3.039 -2.988 22 HB2 LEU 4 2HB LEU 4 -2.215 5.529 -1.650 23 HB3 LEU 4 1HB LEU 4 -1.197 4.114 -1.617 24 HG LEU 4 HG LEU 4 -1.109 4.102 -4.078 25 HD11 LEU 4 1HD1 LEU 4 -2.756 6.613 -3.926 26 HD12 LEU 4 2HD1 LEU 4 -3.262 5.067 -4.607 27 HD13 LEU 4 3HD1 LEU 4 -1.965 5.987 -5.370 28 HD21 LEU 4 1HD2 LEU 4 0.244 6.107 -4.371 29 HD22 LEU 4 2HD2 LEU 4 0.586 5.321 -2.827 30 HD23 LEU 4 3HD2 LEU 4 -0.411 6.772 -2.877 31 H GLN 5 H GLN 5 -4.097 4.425 0.103 32 HA GLN 5 HA GLN 5 -3.060 2.356 1.711 33 HB2 GLN 5 2HB GLN 5 -5.451 4.146 2.195 34 HB3 GLN 5 1HB GLN 5 -4.696 3.143 3.426 35 HG2 GLN 5 2HG GLN 5 -2.623 4.412 3.215 36 HG3 GLN 5 1HG GLN 5 -3.337 5.385 1.935 37 HE21 GLN 5 1HE2 GLN 5 -5.929 5.505 3.323 38 HE22 GLN 5 2HE2 GLN 5 -5.722 6.633 4.598 39 H ARG 6 H ARG 6 -6.229 2.760 0.170 40 HA ARG 6 HA ARG 6 -7.443 0.375 1.043 41 HB2 ARG 6 2HB ARG 6 -7.814 1.835 -1.569 42 HB3 ARG 6 1HB ARG 6 -8.834 0.522 -1.017 43 HG2 ARG 6 2HG ARG 6 -9.481 1.888 0.921 44 HG3 ARG 6 1HG ARG 6 -8.514 3.215 0.270 45 HD2 ARG 6 2HD ARG 6 -10.866 3.454 -0.322 46 HD3 ARG 6 1HD ARG 6 -9.865 3.218 -1.760 47 HE ARG 6 HE ARG 6 -11.129 0.905 -0.545 48 HH11 ARG 6 1HH1 ARG 6 -11.045 3.186 -3.293 49 HH12 ARG 6 2HH1 ARG 6 -12.130 2.275 -4.226 50 HH21 ARG 6 1HH2 ARG 6 -12.583 -0.326 -1.901 51 HH22 ARG 6 2HH2 ARG 6 -13.006 0.249 -3.443 52 H LYS 7 H LYS 7 -5.331 1.049 -1.640 53 HA LYS 7 HA LYS 7 -5.479 -1.339 -3.078 54 HB2 LYS 7 2HB LYS 7 -4.419 0.769 -3.822 55 HB3 LYS 7 1HB LYS 7 -3.127 0.507 -2.670 56 HG2 LYS 7 2HG LYS 7 -2.469 -1.509 -3.889 57 HG3 LYS 7 1HG LYS 7 -3.751 -1.204 -5.065 58 HD2 LYS 7 2HD LYS 7 -2.734 1.025 -5.505 59 HD3 LYS 7 1HD LYS 7 -1.399 0.582 -4.445 60 HE2 LYS 7 2HE LYS 7 -0.734 0.191 -6.718 61 HE3 LYS 7 1HE LYS 7 -0.954 -1.357 -5.910 62 HZ1 LYS 7 1HZ LYS 7 -2.923 -0.064 -7.710 63 HZ2 LYS 7 2HZ LYS 7 -3.124 -1.561 -6.960 64 HZ3 LYS 7 3HZ LYS 7 -1.929 -1.363 -8.115 65 H CYS 8 H CYS 8 -3.377 -0.383 -0.424 66 HA CYS 8 HA CYS 8 -1.885 -2.763 -0.269 67 HB2 CYS 8 2HB CYS 8 -2.540 -0.793 1.902 68 HB3 CYS 8 1HB CYS 8 -1.219 -1.962 1.910 69 H LYS 9 H LYS 9 -4.937 -1.771 1.096 70 HA LYS 9 HA LYS 9 -5.072 -4.062 2.812 71 HB2 LYS 9 2HB LYS 9 -7.083 -1.922 2.150 72 HB3 LYS 9 1HB LYS 9 -7.345 -3.194 3.342 73 HG2 LYS 9 2HG LYS 9 -5.379 -2.405 4.595 74 HG3 LYS 9 1HG LYS 9 -5.156 -1.134 3.405 75 HD2 LYS 9 2HD LYS 9 -7.248 -0.126 3.996 76 HD3 LYS 9 1HD LYS 9 -7.630 -1.476 5.069 77 HE2 LYS 9 2HE LYS 9 -5.264 0.359 5.423 78 HE3 LYS 9 1HE LYS 9 -6.800 0.548 6.262 79 HZ1 LYS 9 1HZ LYS 9 -5.181 -0.602 7.611 80 HZ2 LYS 9 2HZ LYS 9 -5.012 -1.829 6.480 81 HZ3 LYS 9 3HZ LYS 9 -6.476 -1.614 7.287 82 H GLU 10 H GLU 10 -5.912 -3.305 -0.372 83 HA GLU 10 HA GLU 10 -7.811 -5.368 -0.859 84 HB2 GLU 10 2HB GLU 10 -7.544 -3.302 -2.223 85 HB3 GLU 10 1HB GLU 10 -5.958 -3.857 -2.717 86 HG2 GLU 10 2HG GLU 10 -7.483 -4.252 -4.482 87 HG3 GLU 10 1HG GLU 10 -7.033 -5.805 -3.779 88 H LEU 11 H LEU 11 -4.334 -4.928 -1.191 89 HA LEU 11 HA LEU 11 -3.841 -7.580 -2.195 90 HB2 LEU 11 2HB LEU 11 -1.958 -5.463 -1.166 91 HB3 LEU 11 1HB LEU 11 -1.449 -6.952 -1.925 92 HG LEU 11 HG LEU 11 -3.018 -4.745 -3.262 93 HD11 LEU 11 1HD1 LEU 11 -0.958 -4.362 -4.523 94 HD12 LEU 11 2HD1 LEU 11 -0.140 -5.589 -3.558 95 HD13 LEU 11 3HD1 LEU 11 -0.719 -4.108 -2.794 96 HD21 LEU 11 1HD2 LEU 11 -3.578 -6.928 -4.200 97 HD22 LEU 11 2HD2 LEU 11 -1.866 -7.308 -4.373 98 HD23 LEU 11 3HD2 LEU 11 -2.580 -6.015 -5.333 99 H DAS 12 H DAS 12 -3.619 -5.972 0.924 100 HA DAS 12 HA DAS 12 -3.326 -8.593 2.204 101 HB2 DAS 12 1HB DAS 12 -5.265 -7.277 2.933 102 HB3 DAS 12 2HB DAS 12 -4.214 -5.923 3.322 103 H THR 13 H THR 13 -1.231 -9.041 2.439 104 HA THR 13 HA THR 13 0.502 -6.896 3.448 105 HB THR 13 HB THR 13 0.268 -8.855 5.003 106 HG1 THR 13 1HG THR 13 2.492 -7.678 4.294 107 HG21 THR 13 1HG2 THR 13 1.332 -11.004 4.411 108 HG22 THR 13 2HG2 THR 13 1.611 -10.400 2.778 109 HG23 THR 13 3HG2 THR 13 -0.035 -10.641 3.358 110 H ARG 14 H ARG 14 -0.334 -8.338 0.723 111 HA ARG 14 HA ARG 14 2.206 -9.010 -0.425 112 HB2 ARG 14 2HB ARG 14 -0.536 -8.686 -1.676 113 HB3 ARG 14 1HB ARG 14 0.880 -9.290 -2.523 114 HG2 ARG 14 2HG ARG 14 -0.481 -10.574 -0.164 115 HG3 ARG 14 1HG ARG 14 -0.559 -11.119 -1.838 116 HD2 ARG 14 2HD ARG 14 1.878 -11.036 -0.068 117 HD3 ARG 14 1HD ARG 14 1.016 -12.474 -0.611 118 HE ARG 14 HE ARG 14 1.694 -11.258 -2.906 119 HH11 ARG 14 1HH1 ARG 14 3.527 -12.402 -0.118 120 HH12 ARG 14 2HH1 ARG 14 4.987 -12.601 -0.975 121 HH21 ARG 14 1HH2 ARG 14 3.722 -11.499 -4.097 122 HH22 ARG 14 2HH2 ARG 14 5.095 -12.051 -3.277 123 HA DPR 15 HA DPR 15 2.336 -5.174 -3.086 124 HB2 DPR 15 1HB DPR 15 4.818 -5.565 -4.089 125 HB3 DPR 15 2HB DPR 15 3.381 -6.291 -4.817 126 HG2 DPR 15 1HG DPR 15 5.373 -7.510 -2.937 127 HG3 DPR 15 2HG DPR 15 4.688 -8.186 -4.426 128 HD2 DPR 15 1HD DPR 15 3.760 -8.876 -1.987 129 HD3 DPR 15 2HD DPR 15 2.710 -8.755 -3.408 130 H DGL 16 H DGL 16 4.311 -6.594 -0.638 131 HA DGL 16 HA DGL 16 6.109 -4.448 -0.185 132 HB2 DGL 16 1HB DGL 16 6.367 -6.787 0.678 133 HB3 DGL 16 2HB DGL 16 5.084 -6.458 1.830 134 HG2 DGL 16 1HG DGL 16 7.233 -6.271 2.907 135 HG3 DGL 16 2HG DGL 16 6.448 -4.695 2.839 136 H DAL 17 H DAL 17 2.862 -5.168 0.843 137 HA DAL 17 HA DAL 17 2.589 -3.146 2.788 138 HB1 DAL 17 1HB DAL 17 0.458 -4.349 1.017 139 HB2 DAL 17 2HB DAL 17 0.185 -3.445 2.511 140 HB3 DAL 17 3HB DAL 17 0.999 -5.005 2.559 141 H DGL 18 H DGL 18 1.911 -3.273 -0.688 142 HA DGL 18 HA DGL 18 0.929 -0.678 -1.109 143 HB2 DGL 18 1HB DGL 18 0.985 -2.467 -2.872 144 HB3 DGL 18 2HB DGL 18 2.728 -2.262 -2.979 145 HG2 DGL 18 1HG DGL 18 2.075 0.246 -3.431 146 HG3 DGL 18 2HG DGL 18 0.542 -0.465 -3.917 147 H DAR 19 H DAR 19 4.151 -1.975 -1.033 148 HA DAR 19 HA DAR 19 5.619 0.225 -1.839 149 HB2 DAR 19 1HB DAR 19 6.329 -2.223 -1.498 150 HB3 DAR 19 2HB DAR 19 6.573 -1.793 0.188 151 HG2 DAR 19 1HG DAR 19 8.665 -1.721 -1.032 152 HG3 DAR 19 2HG DAR 19 8.207 -0.107 -0.476 153 HD2 DAR 19 1HD DAR 19 9.040 -0.154 -2.818 154 HD3 DAR 19 2HD DAR 19 7.410 0.486 -2.661 155 HE DAR 19 HE DAR 19 8.095 -2.223 -3.592 156 HH11 DAR 19 1HH2 DAR 19 6.566 -3.184 -5.112 157 HH12 DAR 19 2HH2 DAR 19 5.233 -2.277 -5.651 158 HH21 DAR 19 1HH1 DAR 19 5.965 0.651 -3.834 159 HH22 DAR 19 2HH1 DAR 19 4.859 -0.158 -4.874 160 H DLY 20 H DLY 20 4.784 -0.883 1.431 161 HA DLY 20 HA DLY 20 6.032 1.204 2.821 162 HB2 DLY 20 1HB DLY 20 5.163 -0.922 3.837 163 HB3 DLY 20 2HB DLY 20 3.542 -0.261 3.684 164 HG2 DLY 20 1HG DLY 20 4.219 1.634 5.106 165 HG3 DLY 20 2HG DLY 20 5.798 0.878 5.313 166 HD2 DLY 20 1HD DLY 20 4.669 -1.108 6.272 167 HD3 DLY 20 2HD DLY 20 3.142 -0.225 6.184 168 HE2 DLY 20 1HE DLY 20 4.121 1.543 7.588 169 HE3 DLY 20 2HE DLY 20 5.598 0.593 7.724 170 HZ1 DLY 20 1HZ DLY 20 4.285 -1.177 8.747 171 HZ2 DLY 20 2HZ DLY 20 2.922 -0.180 8.741 172 HZ3 DLY 20 3HZ DLY 20 4.280 0.243 9.639 173 H DCY 21 H DCY 21 2.705 0.877 1.634 174 HA DCY 21 HA DCY 21 1.696 3.272 2.662 175 HB2 DCY 21 1HB DCY 21 0.965 1.927 0.080 176 HB3 DCY 21 2HB DCY 21 0.003 3.151 0.901 177 H DAR 22 H DAR 22 3.174 2.625 -0.490 178 HA DAR 22 HA DAR 22 2.897 5.285 -1.432 179 HB2 DAR 22 1HB DAR 22 4.683 3.031 -2.312 180 HB3 DAR 22 2HB DAR 22 4.571 4.566 -3.163 181 HG2 DAR 22 1HG DAR 22 2.259 4.185 -3.659 182 HG3 DAR 22 2HG DAR 22 2.236 2.737 -2.651 183 HD2 DAR 22 1HD DAR 22 2.370 2.152 -5.003 184 HD3 DAR 22 2HD DAR 22 3.824 1.657 -4.147 185 HE DAR 22 HE DAR 22 4.303 4.168 -5.218 186 HH11 DAR 22 1HH1 DAR 22 3.763 0.821 -6.385 187 HH12 DAR 22 2HH1 DAR 22 4.608 1.082 -7.828 188 HH21 DAR 22 1HH2 DAR 22 5.466 4.454 -7.195 189 HH22 DAR 22 2HH2 DAR 22 5.565 3.181 -8.321 190 H DGL 23 H DGL 23 5.310 3.680 0.452 191 HA DGL 23 HA DGL 23 7.322 5.615 0.226 192 HB2 DGL 23 1HB DGL 23 7.706 3.351 1.062 193 HB3 DGL 23 2HB DGL 23 6.685 3.676 2.450 194 HG2 DGL 23 1HG DGL 23 8.234 5.314 3.259 195 HG3 DGL 23 2HG DGL 23 9.267 5.076 1.851 196 H DGL 24 H DGL 24 4.696 5.188 2.575 197 HA DGL 24 HA DGL 24 5.433 7.578 3.993 198 HB2 DGL 24 1HB DGL 24 2.921 5.932 4.233 199 HB3 DGL 24 2HB DGL 24 3.457 7.171 5.355 200 HG2 DGL 24 1HG DGL 24 5.482 5.805 5.798 201 HG3 DGL 24 2HG DGL 24 4.773 4.531 4.805 202 H SER 25 H SER 25 2.797 6.669 1.824 203 HA SER 25 HA SER 25 2.278 9.504 1.396 204 HB2 SER 25 2HB SER 25 0.950 8.786 -0.571 205 HB3 SER 25 1HB SER 25 2.566 8.095 -0.643 206 HG SER 25 HG SER 25 1.590 6.192 0.342 207 H ASP 26 H ASP 26 -0.056 10.149 1.319 208 HA ASP 26 HA ASP 26 -1.498 8.750 3.476 209 HB2 ASP 26 2HB ASP 26 -2.535 10.892 4.042 210 HB3 ASP 26 1HB ASP 26 -0.781 11.018 4.100 Start of MODEL 17 1 H ASN 1 H ASN 1 -2.278 7.525 1.191 2 HA ASN 1 HA ASN 1 -3.955 9.450 -0.259 3 HB2 ASN 1 2HB ASN 1 -2.076 7.339 -1.364 4 HB3 ASN 1 1HB ASN 1 -3.292 8.181 -2.312 5 HD21 ASN 1 1HD2 ASN 1 -0.345 8.087 -2.527 6 HD22 ASN 1 2HD2 ASN 1 0.171 9.727 -2.492 7 HA PRO 2 HA PRO 2 -7.002 6.459 1.262 8 HB2 PRO 2 2HB PRO 2 -8.458 7.846 -0.953 9 HB3 PRO 2 1HB PRO 2 -9.034 7.404 0.659 10 HG2 PRO 2 2HG PRO 2 -8.307 9.889 0.177 11 HG3 PRO 2 1HG PRO 2 -7.835 9.109 1.697 12 HD2 PRO 2 2HD PRO 2 -6.185 9.736 -0.702 13 HD3 PRO 2 1HD PRO 2 -5.722 9.699 1.011 14 H GLU 3 H GLU 3 -6.777 6.950 -2.273 15 HA GLU 3 HA GLU 3 -7.926 4.405 -2.809 16 HB2 GLU 3 2HB GLU 3 -6.522 6.362 -4.627 17 HB3 GLU 3 1HB GLU 3 -7.087 4.807 -5.198 18 HG2 GLU 3 2HG GLU 3 -8.679 6.538 -5.766 19 HG3 GLU 3 1HG GLU 3 -9.386 5.422 -4.610 20 H LEU 4 H LEU 4 -4.624 5.495 -2.507 21 HA LEU 4 HA LEU 4 -3.451 3.078 -3.463 22 HB2 LEU 4 2HB LEU 4 -2.217 5.212 -3.368 23 HB3 LEU 4 1HB LEU 4 -2.360 5.212 -1.624 24 HG LEU 4 HG LEU 4 -0.936 3.197 -1.529 25 HD11 LEU 4 1HD1 LEU 4 0.318 2.512 -3.516 26 HD12 LEU 4 2HD1 LEU 4 -0.635 3.625 -4.498 27 HD13 LEU 4 3HD1 LEU 4 -1.414 2.250 -3.711 28 HD21 LEU 4 1HD2 LEU 4 1.154 4.334 -2.091 29 HD22 LEU 4 2HD2 LEU 4 0.031 5.420 -1.268 30 HD23 LEU 4 3HD2 LEU 4 0.253 5.536 -3.014 31 H GLN 5 H GLN 5 -4.214 4.407 -0.305 32 HA GLN 5 HA GLN 5 -3.331 2.321 1.319 33 HB2 GLN 5 2HB GLN 5 -5.474 4.402 1.681 34 HB3 GLN 5 1HB GLN 5 -5.088 3.240 2.940 35 HG2 GLN 5 2HG GLN 5 -3.080 5.118 1.719 36 HG3 GLN 5 1HG GLN 5 -3.979 5.457 3.197 37 HE21 GLN 5 1HE2 GLN 5 -3.557 4.253 5.012 38 HE22 GLN 5 2HE2 GLN 5 -2.092 3.360 5.218 39 H ARG 6 H ARG 6 -6.422 2.825 -0.283 40 HA ARG 6 HA ARG 6 -7.893 0.670 0.651 41 HB2 ARG 6 2HB ARG 6 -8.894 2.312 -0.805 42 HB3 ARG 6 1HB ARG 6 -7.773 1.912 -2.092 43 HG2 ARG 6 2HG ARG 6 -8.773 -0.331 -2.255 44 HG3 ARG 6 1HG ARG 6 -9.942 0.123 -1.013 45 HD2 ARG 6 2HD ARG 6 -10.851 1.830 -2.415 46 HD3 ARG 6 1HD ARG 6 -9.573 1.601 -3.600 47 HE ARG 6 HE ARG 6 -10.564 -0.769 -3.681 48 HH11 ARG 6 1HH1 ARG 6 -12.488 2.165 -3.220 49 HH12 ARG 6 2HH1 ARG 6 -13.746 1.710 -4.251 50 HH21 ARG 6 1HH2 ARG 6 -12.348 -1.456 -5.109 51 HH22 ARG 6 2HH2 ARG 6 -13.650 -0.385 -5.367 52 H LYS 7 H LYS 7 -5.774 0.824 -2.186 53 HA LYS 7 HA LYS 7 -5.982 -1.817 -2.996 54 HB2 LYS 7 2HB LYS 7 -4.986 -0.121 -4.417 55 HB3 LYS 7 1HB LYS 7 -3.670 0.103 -3.278 56 HG2 LYS 7 2HG LYS 7 -2.895 -2.170 -3.718 57 HG3 LYS 7 1HG LYS 7 -4.218 -2.399 -4.861 58 HD2 LYS 7 2HD LYS 7 -3.353 -0.680 -6.291 59 HD3 LYS 7 1HD LYS 7 -2.117 -0.256 -5.106 60 HE2 LYS 7 2HE LYS 7 -1.174 -1.594 -6.894 61 HE3 LYS 7 1HE LYS 7 -1.100 -2.453 -5.365 62 HZ1 LYS 7 1HZ LYS 7 -1.773 -3.909 -7.129 63 HZ2 LYS 7 2HZ LYS 7 -3.076 -2.933 -7.543 64 HZ3 LYS 7 3HZ LYS 7 -3.077 -3.752 -6.085 65 H CYS 8 H CYS 8 -3.640 -0.327 -0.818 66 HA CYS 8 HA CYS 8 -2.102 -2.597 -0.309 67 HB2 CYS 8 2HB CYS 8 -2.704 -0.267 1.474 68 HB3 CYS 8 1HB CYS 8 -1.410 -1.430 1.743 69 H LYS 9 H LYS 9 -5.035 -1.443 1.342 70 HA LYS 9 HA LYS 9 -4.885 -3.500 3.346 71 HB2 LYS 9 2HB LYS 9 -5.931 -1.250 3.714 72 HB3 LYS 9 1HB LYS 9 -7.232 -1.714 2.633 73 HG2 LYS 9 2HG LYS 9 -7.852 -3.529 4.182 74 HG3 LYS 9 1HG LYS 9 -6.551 -3.035 5.260 75 HD2 LYS 9 2HD LYS 9 -8.875 -1.283 4.447 76 HD3 LYS 9 1HD LYS 9 -8.789 -2.188 5.953 77 HE2 LYS 9 2HE LYS 9 -6.874 -0.009 5.092 78 HE3 LYS 9 1HE LYS 9 -8.197 0.194 6.229 79 HZ1 LYS 9 1HZ LYS 9 -6.089 -0.102 7.374 80 HZ2 LYS 9 2HZ LYS 9 -5.826 -1.586 6.656 81 HZ3 LYS 9 3HZ LYS 9 -7.108 -1.386 7.723 82 H GLU 10 H GLU 10 -6.189 -3.194 0.195 83 HA GLU 10 HA GLU 10 -7.966 -5.446 0.290 84 HB2 GLU 10 2HB GLU 10 -8.165 -3.459 -1.250 85 HB3 GLU 10 1HB GLU 10 -6.727 -4.024 -2.076 86 HG2 GLU 10 2HG GLU 10 -7.929 -6.100 -2.650 87 HG3 GLU 10 1HG GLU 10 -9.378 -5.421 -1.907 88 H LEU 11 H LEU 11 -4.643 -4.799 -0.510 89 HA LEU 11 HA LEU 11 -4.014 -7.362 -1.640 90 HB2 LEU 11 2HB LEU 11 -2.302 -5.147 -0.545 91 HB3 LEU 11 1HB LEU 11 -1.634 -6.590 -1.255 92 HG LEU 11 HG LEU 11 -3.321 -4.538 -2.681 93 HD11 LEU 11 1HD1 LEU 11 -1.103 -3.719 -2.109 94 HD12 LEU 11 2HD1 LEU 11 -1.238 -4.012 -3.842 95 HD13 LEU 11 3HD1 LEU 11 -0.378 -5.161 -2.820 96 HD21 LEU 11 1HD2 LEU 11 -1.919 -7.010 -3.678 97 HD22 LEU 11 2HD2 LEU 11 -2.632 -5.766 -4.694 98 HD23 LEU 11 3HD2 LEU 11 -3.663 -6.732 -3.637 99 H DAS 12 H DAS 12 -3.515 -5.791 1.448 100 HA DAS 12 HA DAS 12 -3.073 -8.408 2.663 101 HB2 DAS 12 1HB DAS 12 -4.848 -7.218 3.741 102 HB3 DAS 12 2HB DAS 12 -3.902 -5.739 3.821 103 H THR 13 H THR 13 -1.036 -8.915 2.952 104 HA THR 13 HA THR 13 0.874 -6.767 3.509 105 HB THR 13 HB THR 13 0.767 -8.734 5.096 106 HG1 THR 13 1HG THR 13 2.916 -7.614 4.033 107 HG21 THR 13 1HG2 THR 13 1.850 -10.267 2.724 108 HG22 THR 13 2HG2 THR 13 0.283 -10.520 3.493 109 HG23 THR 13 3HG2 THR 13 1.770 -10.880 4.372 110 H ARG 14 H ARG 14 -0.385 -8.236 0.989 111 HA ARG 14 HA ARG 14 1.790 -9.203 -0.549 112 HB2 ARG 14 2HB ARG 14 -1.019 -8.404 -1.293 113 HB3 ARG 14 1HB ARG 14 0.123 -9.074 -2.448 114 HG2 ARG 14 2HG ARG 14 0.265 -11.093 -1.157 115 HG3 ARG 14 1HG ARG 14 -0.807 -10.418 0.074 116 HD2 ARG 14 2HD ARG 14 -2.610 -10.295 -1.535 117 HD3 ARG 14 1HD ARG 14 -1.545 -10.863 -2.818 118 HE ARG 14 HE ARG 14 -1.515 -12.710 -0.731 119 HH11 ARG 14 1HH1 ARG 14 -3.698 -11.569 -3.298 120 HH12 ARG 14 2HH1 ARG 14 -4.606 -13.009 -3.352 121 HH21 ARG 14 1HH2 ARG 14 -2.769 -14.707 -0.860 122 HH22 ARG 14 2HH2 ARG 14 -4.072 -14.799 -1.953 123 HA DPR 15 HA DPR 15 2.291 -5.577 -3.352 124 HB2 DPR 15 1HB DPR 15 4.866 -6.845 -3.975 125 HB3 DPR 15 2HB DPR 15 3.541 -6.410 -5.059 126 HG2 DPR 15 1HG DPR 15 4.106 -8.971 -4.507 127 HG3 DPR 15 2HG DPR 15 2.442 -8.409 -4.743 128 HD2 DPR 15 1HD DPR 15 3.925 -8.898 -2.186 129 HD3 DPR 15 2HD DPR 15 2.292 -9.428 -2.652 130 H DGL 16 H DGL 16 4.023 -6.768 -0.663 131 HA DGL 16 HA DGL 16 6.068 -4.773 -0.568 132 HB2 DGL 16 1HB DGL 16 6.217 -6.854 0.748 133 HB3 DGL 16 2HB DGL 16 4.818 -6.358 1.688 134 HG2 DGL 16 1HG DGL 16 6.786 -5.931 2.979 135 HG3 DGL 16 2HG DGL 16 6.108 -4.390 2.470 136 H DAL 17 H DAL 17 2.740 -5.008 0.401 137 HA DAL 17 HA DAL 17 2.546 -2.843 2.135 138 HB1 DAL 17 1HB DAL 17 0.444 -3.869 0.228 139 HB2 DAL 17 2HB DAL 17 0.160 -2.864 1.650 140 HB3 DAL 17 3HB DAL 17 0.766 -4.508 1.839 141 H DGL 18 H DGL 18 2.506 -3.016 -1.353 142 HA DGL 18 HA DGL 18 1.661 -0.418 -1.975 143 HB2 DGL 18 1HB DGL 18 3.610 -2.188 -3.446 144 HB3 DGL 18 2HB DGL 18 2.847 -0.755 -4.115 145 HG2 DGL 18 1HG DGL 18 0.670 -1.788 -3.843 146 HG3 DGL 18 2HG DGL 18 1.440 -3.226 -3.179 147 H DAR 19 H DAR 19 4.873 -1.718 -1.355 148 HA DAR 19 HA DAR 19 6.225 0.729 -1.895 149 HB2 DAR 19 1HB DAR 19 7.190 -1.702 -0.374 150 HB3 DAR 19 2HB DAR 19 8.201 -0.351 -0.869 151 HG2 DAR 19 1HG DAR 19 7.538 -0.846 -3.231 152 HG3 DAR 19 2HG DAR 19 6.778 -2.318 -2.635 153 HD2 DAR 19 1HD DAR 19 9.683 -1.615 -2.296 154 HD3 DAR 19 2HD DAR 19 9.044 -2.689 -3.530 155 HE DAR 19 HE DAR 19 8.501 -3.428 -0.750 156 HH11 DAR 19 1HH2 DAR 19 9.442 -5.437 -0.018 157 HH12 DAR 19 2HH2 DAR 19 10.521 -6.284 -1.026 158 HH21 DAR 19 1HH1 DAR 19 10.425 -3.942 -3.690 159 HH22 DAR 19 2HH1 DAR 19 11.092 -5.410 -3.152 160 H DLY 20 H DLY 20 5.025 -0.854 0.970 161 HA DLY 20 HA DLY 20 6.040 0.966 2.855 162 HB2 DLY 20 1HB DLY 20 5.078 -1.266 3.422 163 HB3 DLY 20 2HB DLY 20 3.484 -0.653 3.014 164 HG2 DLY 20 1HG DLY 20 3.633 0.980 4.821 165 HG3 DLY 20 2HG DLY 20 5.243 0.382 5.223 166 HD2 DLY 20 1HD DLY 20 4.301 -1.827 5.709 167 HD3 DLY 20 2HD DLY 20 2.688 -1.214 5.346 168 HE2 DLY 20 1HE DLY 20 2.914 0.429 7.161 169 HE3 DLY 20 2HE DLY 20 4.516 -0.206 7.527 170 HZ1 DLY 20 1HZ DLY 20 3.503 -2.344 8.075 171 HZ2 DLY 20 2HZ DLY 20 1.971 -1.722 7.746 172 HZ3 DLY 20 3HZ DLY 20 2.871 -1.117 9.023 173 H DCY 21 H DCY 21 2.986 0.899 1.022 174 HA DCY 21 HA DCY 21 1.910 3.211 2.192 175 HB2 DCY 21 1HB DCY 21 1.342 1.914 -0.464 176 HB3 DCY 21 2HB DCY 21 0.388 3.229 0.231 177 H DAR 22 H DAR 22 4.061 2.767 -0.531 178 HA DAR 22 HA DAR 22 3.905 5.459 -1.428 179 HB2 DAR 22 1HB DAR 22 6.149 3.458 -1.715 180 HB3 DAR 22 2HB DAR 22 6.087 5.013 -2.531 181 HG2 DAR 22 1HG DAR 22 4.157 2.744 -2.924 182 HG3 DAR 22 2HG DAR 22 5.445 3.241 -4.027 183 HD2 DAR 22 1HD DAR 22 4.375 5.431 -4.274 184 HD3 DAR 22 2HD DAR 22 3.060 4.882 -3.231 185 HE DAR 22 HE DAR 22 3.472 3.127 -5.397 186 HH11 DAR 22 1HH1 DAR 22 1.962 6.217 -4.538 187 HH12 DAR 22 2HH1 DAR 22 0.823 6.154 -5.808 188 HH21 DAR 22 1HH2 DAR 22 1.928 3.075 -7.138 189 HH22 DAR 22 2HH2 DAR 22 0.800 4.332 -7.319 190 H DGL 23 H DGL 23 5.975 3.771 0.843 191 HA DGL 23 HA DGL 23 7.664 5.944 1.412 192 HB2 DGL 23 1HB DGL 23 8.241 3.606 1.869 193 HB3 DGL 23 2HB DGL 23 6.982 3.528 3.084 194 HG2 DGL 23 1HG DGL 23 8.143 5.098 4.478 195 HG3 DGL 23 2HG DGL 23 9.367 5.349 3.234 196 H DGL 24 H DGL 24 4.603 4.894 2.797 197 HA DGL 24 HA DGL 24 4.701 6.828 4.927 198 HB2 DGL 24 1HB DGL 24 2.394 5.136 3.965 199 HB3 DGL 24 2HB DGL 24 2.397 6.112 5.424 200 HG2 DGL 24 1HG DGL 24 4.147 3.735 4.870 201 HG3 DGL 24 2HG DGL 24 2.760 3.786 5.955 202 H SER 25 H SER 25 2.572 6.464 2.075 203 HA SER 25 HA SER 25 2.137 9.366 2.166 204 HB2 SER 25 2HB SER 25 1.700 7.397 -0.089 205 HB3 SER 25 1HB SER 25 1.487 9.145 -0.177 206 HG SER 25 HG SER 25 3.942 7.893 0.494 207 H ASP 26 H ASP 26 0.176 9.970 2.946 208 HA ASP 26 HA ASP 26 -1.860 7.960 3.175 209 HB2 ASP 26 2HB ASP 26 -1.607 9.503 5.062 210 HB3 ASP 26 1HB ASP 26 -1.920 10.874 3.997 Start of MODEL 18 1 H ASN 1 H ASN 1 -1.719 7.193 0.756 2 HA ASN 1 HA ASN 1 -3.722 9.277 0.405 3 HB2 ASN 1 2HB ASN 1 -2.235 7.548 -1.603 4 HB3 ASN 1 1HB ASN 1 -3.438 8.752 -2.033 5 HD21 ASN 1 1HD2 ASN 1 -1.878 9.832 -3.269 6 HD22 ASN 1 2HD2 ASN 1 -0.681 10.831 -2.539 7 HA PRO 2 HA PRO 2 -7.326 6.751 0.607 8 HB2 PRO 2 2HB PRO 2 -7.878 7.859 -2.114 9 HB3 PRO 2 1HB PRO 2 -8.971 7.699 -0.732 10 HG2 PRO 2 2HG PRO 2 -7.889 10.053 -1.283 11 HG3 PRO 2 1HG PRO 2 -8.023 9.499 0.395 12 HD2 PRO 2 2HD PRO 2 -5.617 9.681 -1.345 13 HD3 PRO 2 1HD PRO 2 -5.764 9.856 0.415 14 H GLU 3 H GLU 3 -6.146 6.800 -2.797 15 HA GLU 3 HA GLU 3 -7.097 4.225 -3.368 16 HB2 GLU 3 2HB GLU 3 -4.920 5.811 -4.724 17 HB3 GLU 3 1HB GLU 3 -5.537 4.284 -5.327 18 HG2 GLU 3 2HG GLU 3 -7.766 5.279 -5.534 19 HG3 GLU 3 1HG GLU 3 -7.115 6.820 -4.972 20 H LEU 4 H LEU 4 -4.001 5.311 -2.132 21 HA LEU 4 HA LEU 4 -2.701 2.835 -2.463 22 HB2 LEU 4 2HB LEU 4 -2.089 5.206 -0.724 23 HB3 LEU 4 1HB LEU 4 -1.081 3.777 -0.779 24 HG LEU 4 HG LEU 4 -1.664 5.571 -3.142 25 HD11 LEU 4 1HD1 LEU 4 0.812 5.271 -1.458 26 HD12 LEU 4 2HD1 LEU 4 -0.251 6.678 -1.491 27 HD13 LEU 4 3HD1 LEU 4 0.675 6.233 -2.927 28 HD21 LEU 4 1HD2 LEU 4 0.136 4.292 -4.215 29 HD22 LEU 4 2HD2 LEU 4 -1.256 3.291 -3.835 30 HD23 LEU 4 3HD2 LEU 4 0.187 3.214 -2.821 31 H GLN 5 H GLN 5 -4.214 4.327 0.388 32 HA GLN 5 HA GLN 5 -3.612 2.128 2.055 33 HB2 GLN 5 2HB GLN 5 -5.718 4.266 2.385 34 HB3 GLN 5 1HB GLN 5 -5.291 3.098 3.627 35 HG2 GLN 5 2HG GLN 5 -3.431 5.140 2.419 36 HG3 GLN 5 1HG GLN 5 -4.211 5.262 3.992 37 HE21 GLN 5 1HE2 GLN 5 -3.799 2.406 4.654 38 HE22 GLN 5 2HE2 GLN 5 -2.115 2.269 4.978 39 H ARG 6 H ARG 6 -6.451 2.885 0.119 40 HA ARG 6 HA ARG 6 -7.982 0.674 1.058 41 HB2 ARG 6 2HB ARG 6 -8.242 2.274 -1.502 42 HB3 ARG 6 1HB ARG 6 -9.441 1.129 -0.911 43 HG2 ARG 6 2HG ARG 6 -9.883 2.472 1.014 44 HG3 ARG 6 1HG ARG 6 -8.538 3.547 0.637 45 HD2 ARG 6 2HD ARG 6 -9.712 4.163 -1.461 46 HD3 ARG 6 1HD ARG 6 -11.096 3.205 -0.930 47 HE ARG 6 HE ARG 6 -10.658 4.853 1.149 48 HH11 ARG 6 1HH1 ARG 6 -11.054 5.517 -2.310 49 HH12 ARG 6 2HH1 ARG 6 -11.777 7.037 -2.107 50 HH21 ARG 6 1HH2 ARG 6 -11.622 6.984 1.447 51 HH22 ARG 6 2HH2 ARG 6 -12.111 7.890 0.105 52 H LYS 7 H LYS 7 -5.703 1.125 -1.580 53 HA LYS 7 HA LYS 7 -6.033 -1.382 -2.790 54 HB2 LYS 7 2HB LYS 7 -4.779 0.378 -3.908 55 HB3 LYS 7 1HB LYS 7 -3.613 0.402 -2.598 56 HG2 LYS 7 2HG LYS 7 -2.780 -1.758 -3.199 57 HG3 LYS 7 1HG LYS 7 -4.055 -1.976 -4.393 58 HD2 LYS 7 2HD LYS 7 -1.919 -1.354 -5.434 59 HD3 LYS 7 1HD LYS 7 -3.157 -0.137 -5.714 60 HE2 LYS 7 2HE LYS 7 -2.224 1.230 -3.927 61 HE3 LYS 7 1HE LYS 7 -0.992 0.001 -3.623 62 HZ1 LYS 7 1HZ LYS 7 -0.266 0.303 -5.915 63 HZ2 LYS 7 2HZ LYS 7 0.027 1.563 -4.961 64 HZ3 LYS 7 3HZ LYS 7 -1.262 1.670 -6.091 65 H CYS 8 H CYS 8 -3.703 -0.264 -0.351 66 HA CYS 8 HA CYS 8 -2.503 -2.731 0.091 67 HB2 CYS 8 2HB CYS 8 -2.842 -0.391 1.967 68 HB3 CYS 8 1HB CYS 8 -1.740 -1.738 2.241 69 H LYS 9 H LYS 9 -5.429 -1.367 1.440 70 HA LYS 9 HA LYS 9 -5.892 -3.260 3.446 71 HB2 LYS 9 2HB LYS 9 -7.127 -1.133 3.223 72 HB3 LYS 9 1HB LYS 9 -7.907 -1.751 1.777 73 HG2 LYS 9 2HG LYS 9 -8.941 -3.529 3.111 74 HG3 LYS 9 1HG LYS 9 -8.194 -2.862 4.561 75 HD2 LYS 9 2HD LYS 9 -9.385 -0.735 4.140 76 HD3 LYS 9 1HD LYS 9 -10.188 -1.490 2.765 77 HE2 LYS 9 2HE LYS 9 -10.377 -2.385 5.642 78 HE3 LYS 9 1HE LYS 9 -11.623 -1.527 4.741 79 HZ1 LYS 9 1HZ LYS 9 -10.580 -4.219 4.038 80 HZ2 LYS 9 2HZ LYS 9 -11.870 -3.436 3.285 81 HZ3 LYS 9 3HZ LYS 9 -11.997 -3.936 4.872 82 H GLU 10 H GLU 10 -6.974 -3.146 0.052 83 HA GLU 10 HA GLU 10 -8.307 -5.666 0.145 84 HB2 GLU 10 2HB GLU 10 -8.919 -3.845 -1.399 85 HB3 GLU 10 1HB GLU 10 -7.373 -4.018 -2.210 86 HG2 GLU 10 2HG GLU 10 -7.998 -6.320 -2.819 87 HG3 GLU 10 1HG GLU 10 -9.581 -6.050 -2.095 88 H LEU 11 H LEU 11 -5.134 -4.598 -0.812 89 HA LEU 11 HA LEU 11 -4.334 -6.962 -2.187 90 HB2 LEU 11 2HB LEU 11 -3.480 -4.758 -2.718 91 HB3 LEU 11 1HB LEU 11 -2.783 -4.620 -1.126 92 HG LEU 11 HG LEU 11 -1.197 -6.412 -1.673 93 HD11 LEU 11 1HD1 LEU 11 -1.004 -7.169 -3.999 94 HD12 LEU 11 2HD1 LEU 11 -2.479 -6.286 -4.401 95 HD13 LEU 11 3HD1 LEU 11 -2.540 -7.648 -3.282 96 HD21 LEU 11 1HD2 LEU 11 -0.629 -4.063 -2.037 97 HD22 LEU 11 2HD2 LEU 11 -1.270 -4.160 -3.679 98 HD23 LEU 11 3HD2 LEU 11 0.146 -5.110 -3.220 99 H DAS 12 H DAS 12 -3.961 -5.803 1.098 100 HA DAS 12 HA DAS 12 -2.933 -8.422 1.870 101 HB2 DAS 12 1HB DAS 12 -4.777 -7.629 3.191 102 HB3 DAS 12 2HB DAS 12 -3.990 -6.080 3.461 103 H THR 13 H THR 13 -0.909 -8.711 2.680 104 HA THR 13 HA THR 13 0.761 -6.326 3.052 105 HB THR 13 HB THR 13 1.349 -9.170 3.966 106 HG1 THR 13 1HG THR 13 -0.611 -7.645 4.878 107 HG21 THR 13 1HG2 THR 13 3.293 -7.633 3.927 108 HG22 THR 13 2HG2 THR 13 2.854 -8.063 5.580 109 HG23 THR 13 3HG2 THR 13 2.401 -6.488 4.930 110 H ARG 14 H ARG 14 -0.086 -7.811 0.597 111 HA ARG 14 HA ARG 14 2.343 -8.965 -0.434 112 HB2 ARG 14 2HB ARG 14 -0.303 -8.378 -1.806 113 HB3 ARG 14 1HB ARG 14 1.021 -9.305 -2.505 114 HG2 ARG 14 2HG ARG 14 0.802 -10.941 -0.666 115 HG3 ARG 14 1HG ARG 14 -0.588 -10.036 -0.071 116 HD2 ARG 14 2HD ARG 14 -0.365 -11.314 -2.788 117 HD3 ARG 14 1HD ARG 14 -1.190 -12.013 -1.401 118 HE ARG 14 HE ARG 14 -2.469 -9.717 -1.598 119 HH11 ARG 14 1HH1 ARG 14 -1.481 -11.934 -4.176 120 HH12 ARG 14 2HH1 ARG 14 -2.847 -11.688 -5.149 121 HH21 ARG 14 1HH2 ARG 14 -4.449 -9.418 -2.933 122 HH22 ARG 14 2HH2 ARG 14 -4.573 -10.262 -4.402 123 HA DPR 15 HA DPR 15 3.144 -5.372 -3.256 124 HB2 DPR 15 1HB DPR 15 5.891 -6.414 -3.210 125 HB3 DPR 15 2HB DPR 15 4.841 -6.123 -4.598 126 HG2 DPR 15 1HG DPR 15 5.492 -8.613 -3.803 127 HG3 DPR 15 2HG DPR 15 3.912 -8.232 -4.507 128 HD2 DPR 15 1HD DPR 15 4.664 -8.587 -1.630 129 HD3 DPR 15 2HD DPR 15 3.244 -9.204 -2.502 130 H DGL 16 H DGL 16 4.341 -6.567 -0.346 131 HA DGL 16 HA DGL 16 6.285 -4.698 0.468 132 HB2 DGL 16 1HB DGL 16 5.553 -6.971 1.475 133 HB3 DGL 16 2HB DGL 16 4.269 -6.082 2.253 134 HG2 DGL 16 1HG DGL 16 7.199 -5.645 2.712 135 HG3 DGL 16 2HG DGL 16 6.116 -6.535 3.768 136 H DAL 17 H DAL 17 2.796 -4.905 0.943 137 HA DAL 17 HA DAL 17 2.385 -2.567 2.413 138 HB1 DAL 17 1HB DAL 17 0.705 -4.320 2.193 139 HB2 DAL 17 2HB DAL 17 0.516 -3.924 0.485 140 HB3 DAL 17 3HB DAL 17 0.058 -2.750 1.718 141 H DGL 18 H DGL 18 2.200 -3.172 -1.039 142 HA DGL 18 HA DGL 18 1.445 -0.754 -2.088 143 HB2 DGL 18 1HB DGL 18 1.798 -2.706 -3.468 144 HB3 DGL 18 2HB DGL 18 3.502 -2.750 -3.063 145 HG2 DGL 18 1HG DGL 18 3.310 -1.936 -5.283 146 HG3 DGL 18 2HG DGL 18 3.790 -0.603 -4.226 147 H DAR 19 H DAR 19 4.739 -1.781 -1.425 148 HA DAR 19 HA DAR 19 5.966 0.669 -2.176 149 HB2 DAR 19 1HB DAR 19 7.048 -1.480 -0.380 150 HB3 DAR 19 2HB DAR 19 7.991 -0.263 -1.225 151 HG2 DAR 19 1HG DAR 19 7.348 -1.238 -3.364 152 HG3 DAR 19 2HG DAR 19 6.379 -2.449 -2.521 153 HD2 DAR 19 1HD DAR 19 9.366 -2.089 -2.374 154 HD3 DAR 19 2HD DAR 19 8.486 -3.424 -3.122 155 HE DAR 19 HE DAR 19 7.981 -3.012 -0.310 156 HH11 DAR 19 1HH2 DAR 19 8.689 -4.606 1.189 157 HH12 DAR 19 2HH2 DAR 19 9.684 -5.898 0.672 158 HH21 DAR 19 1HH1 DAR 19 9.840 -4.852 -2.706 159 HH22 DAR 19 2HH1 DAR 19 10.360 -6.021 -1.595 160 H DLY 20 H DLY 20 5.148 -0.769 0.958 161 HA DLY 20 HA DLY 20 6.266 1.306 2.495 162 HB2 DLY 20 1HB DLY 20 5.839 -0.961 3.365 163 HB3 DLY 20 2HB DLY 20 4.112 -0.668 3.264 164 HG2 DLY 20 1HG DLY 20 4.261 1.059 4.940 165 HG3 DLY 20 2HG DLY 20 6.014 0.894 4.992 166 HD2 DLY 20 1HD DLY 20 5.803 -1.383 5.798 167 HD3 DLY 20 2HD DLY 20 4.044 -1.274 5.696 168 HE2 DLY 20 1HE DLY 20 4.022 0.475 7.358 169 HE3 DLY 20 2HE DLY 20 5.782 0.478 7.419 170 HZ1 DLY 20 1HZ DLY 20 4.724 -0.753 9.256 171 HZ2 DLY 20 2HZ DLY 20 5.779 -1.696 8.349 172 HZ3 DLY 20 3HZ DLY 20 4.130 -1.881 8.143 173 H DCY 21 H DCY 21 3.046 0.855 1.123 174 HA DCY 21 HA DCY 21 1.884 3.065 2.455 175 HB2 DCY 21 1HB DCY 21 1.118 1.656 -0.099 176 HB3 DCY 21 2HB DCY 21 0.174 2.976 0.593 177 H DAR 22 H DAR 22 3.492 2.702 -0.680 178 HA DAR 22 HA DAR 22 3.050 5.391 -1.437 179 HB2 DAR 22 1HB DAR 22 5.045 3.369 -2.422 180 HB3 DAR 22 2HB DAR 22 4.800 4.944 -3.162 181 HG2 DAR 22 1HG DAR 22 2.474 4.349 -3.635 182 HG3 DAR 22 2HG DAR 22 2.735 2.768 -2.900 183 HD2 DAR 22 1HD DAR 22 2.885 2.615 -5.314 184 HD3 DAR 22 2HD DAR 22 4.445 2.269 -4.569 185 HE DAR 22 HE DAR 22 4.222 4.999 -5.229 186 HH11 DAR 22 1HH1 DAR 22 4.681 1.834 -6.764 187 HH12 DAR 22 2HH1 DAR 22 5.629 2.431 -8.040 188 HH21 DAR 22 1HH2 DAR 22 5.560 5.821 -7.000 189 HH22 DAR 22 2HH2 DAR 22 6.147 4.730 -8.168 190 H DGL 23 H DGL 23 5.512 3.845 0.446 191 HA DGL 23 HA DGL 23 7.399 5.952 0.443 192 HB2 DGL 23 1HB DGL 23 7.890 3.633 1.173 193 HB3 DGL 23 2HB DGL 23 6.865 3.877 2.579 194 HG2 DGL 23 1HG DGL 23 8.363 5.668 3.334 195 HG3 DGL 23 2HG DGL 23 9.415 5.343 1.960 196 H DGL 24 H DGL 24 4.849 5.079 2.751 197 HA DGL 24 HA DGL 24 5.220 7.386 4.391 198 HB2 DGL 24 1HB DGL 24 3.027 5.343 4.209 199 HB3 DGL 24 2HB DGL 24 3.002 6.668 5.361 200 HG2 DGL 24 1HG DGL 24 5.156 4.586 5.173 201 HG3 DGL 24 2HG DGL 24 3.825 4.580 6.333 202 H SER 25 H SER 25 2.946 6.512 1.884 203 HA SER 25 HA SER 25 2.000 9.267 1.866 204 HB2 SER 25 2HB SER 25 3.394 8.561 -0.118 205 HB3 SER 25 1HB SER 25 2.230 7.284 -0.431 206 HG SER 25 HG SER 25 0.729 9.341 -0.379 207 H ASP 26 H ASP 26 0.340 8.725 3.366 208 HA ASP 26 HA ASP 26 -1.323 6.467 2.825 209 HB2 ASP 26 2HB ASP 26 -2.625 7.132 4.831 210 HB3 ASP 26 1HB ASP 26 -0.908 7.003 5.164 Start of MODEL 19 1 H ASN 1 H ASN 1 -2.084 7.433 1.374 2 HA ASN 1 HA ASN 1 -4.131 9.355 0.524 3 HB2 ASN 1 2HB ASN 1 -2.395 9.104 -1.226 4 HB3 ASN 1 1HB ASN 1 -2.729 7.379 -1.288 5 HD21 ASN 1 1HD2 ASN 1 -3.900 10.526 -2.016 6 HD22 ASN 1 2HD2 ASN 1 -5.180 10.077 -3.073 7 HA PRO 2 HA PRO 2 -6.908 6.348 2.210 8 HB2 PRO 2 2HB PRO 2 -8.697 7.680 0.231 9 HB3 PRO 2 1HB PRO 2 -8.984 7.306 1.933 10 HG2 PRO 2 2HG PRO 2 -8.388 9.779 1.227 11 HG3 PRO 2 1HG PRO 2 -7.671 9.067 2.682 12 HD2 PRO 2 2HD PRO 2 -6.448 9.566 0.015 13 HD3 PRO 2 1HD PRO 2 -5.740 9.681 1.643 14 H GLU 3 H GLU 3 -7.161 6.907 -1.324 15 HA GLU 3 HA GLU 3 -8.314 4.344 -1.756 16 HB2 GLU 3 2HB GLU 3 -8.761 6.264 -3.223 17 HB3 GLU 3 1HB GLU 3 -7.081 6.223 -3.749 18 HG2 GLU 3 2HG GLU 3 -7.411 4.082 -4.778 19 HG3 GLU 3 1HG GLU 3 -9.059 3.998 -4.155 20 H LEU 4 H LEU 4 -5.066 5.650 -2.101 21 HA LEU 4 HA LEU 4 -3.852 3.411 -3.287 22 HB2 LEU 4 2HB LEU 4 -2.743 5.594 -3.101 23 HB3 LEU 4 1HB LEU 4 -2.743 5.427 -1.355 24 HG LEU 4 HG LEU 4 -1.172 3.585 -1.503 25 HD11 LEU 4 1HD1 LEU 4 -0.056 3.046 -3.614 26 HD12 LEU 4 2HD1 LEU 4 -1.157 4.131 -4.460 27 HD13 LEU 4 3HD1 LEU 4 -1.780 2.678 -3.676 28 HD21 LEU 4 1HD2 LEU 4 -0.314 5.836 -1.235 29 HD22 LEU 4 2HD2 LEU 4 -0.300 6.061 -2.983 30 HD23 LEU 4 3HD2 LEU 4 0.785 4.890 -2.238 31 H GLN 5 H GLN 5 -4.229 4.335 0.097 32 HA GLN 5 HA GLN 5 -3.126 2.022 1.221 33 HB2 GLN 5 2HB GLN 5 -5.036 4.091 2.254 34 HB3 GLN 5 1HB GLN 5 -4.546 2.730 3.248 35 HG2 GLN 5 2HG GLN 5 -2.626 4.666 1.972 36 HG3 GLN 5 1HG GLN 5 -3.224 4.812 3.622 37 HE21 GLN 5 1HE2 GLN 5 -3.194 1.958 4.125 38 HE22 GLN 5 2HE2 GLN 5 -1.545 1.505 4.318 39 H ARG 6 H ARG 6 -6.425 2.784 0.239 40 HA ARG 6 HA ARG 6 -7.650 0.440 1.124 41 HB2 ARG 6 2HB ARG 6 -9.082 2.199 0.318 42 HB3 ARG 6 1HB ARG 6 -8.274 2.222 -1.241 43 HG2 ARG 6 2HG ARG 6 -10.488 1.190 -1.390 44 HG3 ARG 6 1HG ARG 6 -9.206 0.049 -1.793 45 HD2 ARG 6 2HD ARG 6 -9.340 -0.704 0.632 46 HD3 ARG 6 1HD ARG 6 -10.862 0.194 0.715 47 HE ARG 6 HE ARG 6 -11.169 -1.321 -1.456 48 HH11 ARG 6 1HH1 ARG 6 -10.341 -2.070 1.874 49 HH12 ARG 6 2HH1 ARG 6 -10.795 -3.706 1.807 50 HH21 ARG 6 1HH2 ARG 6 -11.720 -3.554 -1.631 51 HH22 ARG 6 2HH2 ARG 6 -11.629 -4.598 -0.296 52 H LYS 7 H LYS 7 -6.087 1.149 -1.973 53 HA LYS 7 HA LYS 7 -6.360 -1.324 -3.217 54 HB2 LYS 7 2HB LYS 7 -4.060 0.638 -3.350 55 HB3 LYS 7 1HB LYS 7 -4.248 -0.730 -4.429 56 HG2 LYS 7 2HG LYS 7 -6.231 1.525 -4.188 57 HG3 LYS 7 1HG LYS 7 -4.948 1.453 -5.392 58 HD2 LYS 7 2HD LYS 7 -5.895 -0.690 -6.196 59 HD3 LYS 7 1HD LYS 7 -7.235 -0.486 -5.062 60 HE2 LYS 7 2HE LYS 7 -7.873 1.587 -6.170 61 HE3 LYS 7 1HE LYS 7 -6.490 1.440 -7.250 62 HZ1 LYS 7 1HZ LYS 7 -7.467 -0.576 -8.169 63 HZ2 LYS 7 2HZ LYS 7 -8.548 0.705 -8.305 64 HZ3 LYS 7 3HZ LYS 7 -8.781 -0.450 -7.132 65 H CYS 8 H CYS 8 -3.766 -0.159 -1.115 66 HA CYS 8 HA CYS 8 -2.258 -2.505 -1.104 67 HB2 CYS 8 2HB CYS 8 -2.447 -0.369 1.009 68 HB3 CYS 8 1HB CYS 8 -1.207 -1.613 0.936 69 H LYS 9 H LYS 9 -4.972 -1.547 1.000 70 HA LYS 9 HA LYS 9 -4.595 -3.865 2.638 71 HB2 LYS 9 2HB LYS 9 -5.636 -1.785 3.526 72 HB3 LYS 9 1HB LYS 9 -7.023 -2.058 2.481 73 HG2 LYS 9 2HG LYS 9 -7.574 -4.086 3.657 74 HG3 LYS 9 1HG LYS 9 -6.116 -3.959 4.637 75 HD2 LYS 9 2HD LYS 9 -6.963 -1.868 5.604 76 HD3 LYS 9 1HD LYS 9 -8.419 -2.011 4.620 77 HE2 LYS 9 2HE LYS 9 -7.512 -3.970 6.725 78 HE3 LYS 9 1HE LYS 9 -8.805 -2.788 6.905 79 HZ1 LYS 9 1HZ LYS 9 -8.770 -5.072 5.004 80 HZ2 LYS 9 2HZ LYS 9 -9.980 -3.913 5.073 81 HZ3 LYS 9 3HZ LYS 9 -9.727 -4.934 6.377 82 H GLU 10 H GLU 10 -6.353 -3.147 -0.242 83 HA GLU 10 HA GLU 10 -7.877 -5.570 -0.209 84 HB2 GLU 10 2HB GLU 10 -8.540 -3.461 -1.416 85 HB3 GLU 10 1HB GLU 10 -7.203 -3.722 -2.520 86 HG2 GLU 10 2HG GLU 10 -8.218 -5.743 -3.330 87 HG3 GLU 10 1HG GLU 10 -9.508 -5.602 -2.135 88 H LEU 11 H LEU 11 -4.717 -4.623 -0.959 89 HA LEU 11 HA LEU 11 -4.018 -7.014 -2.443 90 HB2 LEU 11 2HB LEU 11 -3.019 -4.809 -2.971 91 HB3 LEU 11 1HB LEU 11 -2.331 -4.749 -1.370 92 HG LEU 11 HG LEU 11 -0.874 -6.632 -1.915 93 HD11 LEU 11 1HD1 LEU 11 -2.103 -6.423 -4.668 94 HD12 LEU 11 2HD1 LEU 11 -2.276 -7.778 -3.550 95 HD13 LEU 11 3HD1 LEU 11 -0.700 -7.404 -4.244 96 HD21 LEU 11 1HD2 LEU 11 -0.094 -4.362 -2.277 97 HD22 LEU 11 2HD2 LEU 11 -0.772 -4.371 -3.905 98 HD23 LEU 11 3HD2 LEU 11 0.567 -5.446 -3.501 99 H DAS 12 H DAS 12 -3.941 -5.823 0.824 100 HA DAS 12 HA DAS 12 -3.189 -8.467 1.783 101 HB2 DAS 12 1HB DAS 12 -5.108 -7.575 2.905 102 HB3 DAS 12 2HB DAS 12 -4.297 -6.051 3.218 103 H THR 13 H THR 13 -1.315 -8.953 2.523 104 HA THR 13 HA THR 13 0.468 -6.802 3.402 105 HB THR 13 HB THR 13 0.049 -8.607 5.062 106 HG1 THR 13 1HG THR 13 2.138 -7.574 5.008 107 HG21 THR 13 1HG2 THR 13 0.972 -10.870 4.667 108 HG22 THR 13 2HG2 THR 13 1.317 -10.412 2.997 109 HG23 THR 13 3HG2 THR 13 -0.349 -10.473 3.570 110 H ARG 14 H ARG 14 -0.259 -8.306 0.707 111 HA ARG 14 HA ARG 14 2.263 -9.233 -0.231 112 HB2 ARG 14 2HB ARG 14 -0.241 -8.496 -1.776 113 HB3 ARG 14 1HB ARG 14 1.153 -9.326 -2.450 114 HG2 ARG 14 2HG ARG 14 -0.641 -10.358 -0.264 115 HG3 ARG 14 1HG ARG 14 -0.666 -10.868 -1.952 116 HD2 ARG 14 2HD ARG 14 1.657 -11.190 -0.040 117 HD3 ARG 14 1HD ARG 14 0.550 -12.464 -0.534 118 HE ARG 14 HE ARG 14 1.414 -11.695 -2.881 119 HH11 ARG 14 1HH1 ARG 14 3.370 -12.136 0.058 120 HH12 ARG 14 2HH1 ARG 14 4.720 -12.700 -0.793 121 HH21 ARG 14 1HH2 ARG 14 3.305 -12.469 -4.012 122 HH22 ARG 14 2HH2 ARG 14 4.688 -12.896 -3.105 123 HA DPR 15 HA DPR 15 3.351 -5.565 -2.777 124 HB2 DPR 15 1HB DPR 15 6.067 -6.614 -2.412 125 HB3 DPR 15 2HB DPR 15 5.195 -6.272 -3.909 126 HG2 DPR 15 1HG DPR 15 5.724 -8.784 -3.140 127 HG3 DPR 15 2HG DPR 15 4.222 -8.359 -3.982 128 HD2 DPR 15 1HD DPR 15 4.684 -8.811 -1.057 129 HD3 DPR 15 2HD DPR 15 3.364 -9.390 -2.093 130 H DGL 16 H DGL 16 4.289 -6.735 0.283 131 HA DGL 16 HA DGL 16 6.116 -4.820 1.196 132 HB2 DGL 16 1HB DGL 16 5.589 -6.946 2.328 133 HB3 DGL 16 2HB DGL 16 3.997 -6.335 2.739 134 HG2 DGL 16 1HG DGL 16 5.417 -6.217 4.648 135 HG3 DGL 16 2HG DGL 16 5.044 -4.584 4.098 136 H DAL 17 H DAL 17 2.579 -4.933 1.428 137 HA DAL 17 HA DAL 17 2.283 -2.478 2.810 138 HB1 DAL 17 1HB DAL 17 0.552 -4.229 2.764 139 HB2 DAL 17 2HB DAL 17 0.249 -3.860 1.064 140 HB3 DAL 17 3HB DAL 17 -0.067 -2.647 2.306 141 H DGL 18 H DGL 18 2.341 -3.355 -0.535 142 HA DGL 18 HA DGL 18 1.592 -0.961 -1.765 143 HB2 DGL 18 1HB DGL 18 1.686 -2.944 -3.056 144 HB3 DGL 18 2HB DGL 18 3.329 -3.286 -2.566 145 HG2 DGL 18 1HG DGL 18 3.215 -2.632 -4.896 146 HG3 DGL 18 2HG DGL 18 4.178 -1.521 -3.936 147 H DAR 19 H DAR 19 4.813 -2.148 -0.856 148 HA DAR 19 HA DAR 19 6.154 0.199 -1.739 149 HB2 DAR 19 1HB DAR 19 7.085 -1.880 0.238 150 HB3 DAR 19 2HB DAR 19 8.102 -0.663 -0.511 151 HG2 DAR 19 1HG DAR 19 6.668 -2.890 -1.957 152 HG3 DAR 19 2HG DAR 19 8.382 -2.854 -1.562 153 HD2 DAR 19 1HD DAR 19 8.221 -2.257 -3.843 154 HD3 DAR 19 2HD DAR 19 8.584 -0.779 -2.970 155 HE DAR 19 HE DAR 19 5.804 -0.979 -3.295 156 HH11 DAR 19 1HH2 DAR 19 4.666 0.273 -5.051 157 HH12 DAR 19 2HH2 DAR 19 5.628 0.825 -6.340 158 HH21 DAR 19 1HH1 DAR 19 8.724 -0.380 -5.194 159 HH22 DAR 19 2HH1 DAR 19 7.929 0.482 -6.432 160 H DLY 20 H DLY 20 4.790 -0.798 1.331 161 HA DLY 20 HA DLY 20 5.760 1.345 2.865 162 HB2 DLY 20 1HB DLY 20 4.749 -0.689 3.838 163 HB3 DLY 20 2HB DLY 20 3.186 -0.203 3.209 164 HG2 DLY 20 1HG DLY 20 3.143 1.728 4.648 165 HG3 DLY 20 2HG DLY 20 4.776 1.385 5.215 166 HD2 DLY 20 1HD DLY 20 3.991 -0.747 6.146 167 HD3 DLY 20 2HD DLY 20 2.353 -0.367 5.617 168 HE2 DLY 20 1HE DLY 20 3.992 1.259 7.557 169 HE3 DLY 20 2HE DLY 20 2.722 0.134 8.007 170 HZ1 DLY 20 1HZ DLY 20 1.119 1.530 6.801 171 HZ2 DLY 20 2HZ DLY 20 2.321 2.635 6.418 172 HZ3 DLY 20 3HZ DLY 20 1.905 2.379 8.002 173 H DCY 21 H DCY 21 2.848 0.991 0.881 174 HA DCY 21 HA DCY 21 1.670 3.443 1.498 175 HB2 DCY 21 1HB DCY 21 1.518 1.743 -0.982 176 HB3 DCY 21 2HB DCY 21 0.598 3.227 -0.787 177 H DAR 22 H DAR 22 4.070 2.630 -0.956 178 HA DAR 22 HA DAR 22 4.009 5.275 -2.048 179 HB2 DAR 22 1HB DAR 22 6.119 3.149 -2.425 180 HB3 DAR 22 2HB DAR 22 5.937 4.610 -3.385 181 HG2 DAR 22 1HG DAR 22 4.007 2.304 -3.237 182 HG3 DAR 22 2HG DAR 22 5.057 2.711 -4.589 183 HD2 DAR 22 1HD DAR 22 2.801 4.430 -3.550 184 HD3 DAR 22 2HD DAR 22 2.734 3.415 -4.979 185 HE DAR 22 HE DAR 22 4.845 5.386 -4.976 186 HH11 DAR 22 1HH1 DAR 22 1.524 4.624 -6.026 187 HH12 DAR 22 2HH1 DAR 22 1.453 5.886 -7.157 188 HH21 DAR 22 1HH2 DAR 22 4.721 7.106 -6.600 189 HH22 DAR 22 2HH2 DAR 22 3.305 7.269 -7.534 190 H DGL 23 H DGL 23 5.831 3.694 0.459 191 HA DGL 23 HA DGL 23 7.796 5.739 0.711 192 HB2 DGL 23 1HB DGL 23 8.061 3.438 1.583 193 HB3 DGL 23 2HB DGL 23 6.809 3.757 2.773 194 HG2 DGL 23 1HG DGL 23 8.919 3.947 3.858 195 HG3 DGL 23 2HG DGL 23 8.242 5.567 3.704 196 H DGL 24 H DGL 24 4.711 5.079 2.335 197 HA DGL 24 HA DGL 24 5.038 7.324 4.101 198 HB2 DGL 24 1HB DGL 24 2.745 5.409 3.769 199 HB3 DGL 24 2HB DGL 24 2.888 6.625 5.031 200 HG2 DGL 24 1HG DGL 24 4.805 4.350 4.606 201 HG3 DGL 24 2HG DGL 24 3.501 4.360 5.786 202 H SER 25 H SER 25 3.093 6.685 1.189 203 HA SER 25 HA SER 25 2.303 9.469 1.245 204 HB2 SER 25 2HB SER 25 1.765 7.284 -0.809 205 HB3 SER 25 1HB SER 25 1.314 8.977 -0.997 206 HG SER 25 HG SER 25 3.926 8.689 -0.346 207 H ASP 26 H ASP 26 0.693 9.861 2.619 208 HA ASP 26 HA ASP 26 -1.259 7.898 3.324 209 HB2 ASP 26 2HB ASP 26 -1.213 10.856 3.996 210 HB3 ASP 26 1HB ASP 26 -2.348 9.691 4.648 Start of MODEL 20 1 H ASN 1 H ASN 1 -1.234 8.998 0.238 2 HA ASN 1 HA ASN 1 -3.877 9.525 -0.683 3 HB2 ASN 1 2HB ASN 1 -1.797 7.550 -1.635 4 HB3 ASN 1 1HB ASN 1 -3.329 7.805 -2.455 5 HD21 ASN 1 1HD2 ASN 1 -0.588 8.222 -3.404 6 HD22 ASN 1 2HD2 ASN 1 -0.468 9.880 -3.835 7 HA PRO 2 HA PRO 2 -5.734 6.289 1.917 8 HB2 PRO 2 2HB PRO 2 -8.240 7.346 0.785 9 HB3 PRO 2 1HB PRO 2 -7.744 7.224 2.477 10 HG2 PRO 2 2HG PRO 2 -7.892 9.588 1.242 11 HG3 PRO 2 1HG PRO 2 -6.626 9.239 2.432 12 HD2 PRO 2 2HD PRO 2 -6.474 9.218 -0.553 13 HD3 PRO 2 1HD PRO 2 -5.326 9.896 0.633 14 H GLU 3 H GLU 3 -6.585 7.061 -1.428 15 HA GLU 3 HA GLU 3 -7.936 4.649 -2.016 16 HB2 GLU 3 2HB GLU 3 -6.477 6.598 -3.796 17 HB3 GLU 3 1HB GLU 3 -7.398 5.239 -4.406 18 HG2 GLU 3 2HG GLU 3 -9.432 6.108 -3.548 19 HG3 GLU 3 1HG GLU 3 -8.582 7.349 -2.633 20 H LEU 4 H LEU 4 -4.594 5.608 -2.119 21 HA LEU 4 HA LEU 4 -3.577 3.261 -3.327 22 HB2 LEU 4 2HB LEU 4 -2.254 5.323 -3.184 23 HB3 LEU 4 1HB LEU 4 -2.286 5.228 -1.443 24 HG LEU 4 HG LEU 4 -0.941 3.172 -1.521 25 HD11 LEU 4 1HD1 LEU 4 -1.593 2.320 -3.685 26 HD12 LEU 4 2HD1 LEU 4 0.159 2.503 -3.590 27 HD13 LEU 4 3HD1 LEU 4 -0.805 3.684 -4.477 28 HD21 LEU 4 1HD2 LEU 4 0.148 5.319 -1.235 29 HD22 LEU 4 2HD2 LEU 4 0.264 5.520 -2.981 30 HD23 LEU 4 3HD2 LEU 4 1.161 4.233 -2.179 31 H GLN 5 H GLN 5 -3.823 4.329 0.054 32 HA GLN 5 HA GLN 5 -2.805 2.005 1.221 33 HB2 GLN 5 2HB GLN 5 -4.772 3.983 2.363 34 HB3 GLN 5 1HB GLN 5 -3.962 2.735 3.303 35 HG2 GLN 5 2HG GLN 5 -1.795 3.719 2.734 36 HG3 GLN 5 1HG GLN 5 -2.616 4.974 1.808 37 HE21 GLN 5 1HE2 GLN 5 -1.917 3.744 4.978 38 HE22 GLN 5 2HE2 GLN 5 -2.405 5.152 5.834 39 H ARG 6 H ARG 6 -6.111 2.732 0.293 40 HA ARG 6 HA ARG 6 -7.363 0.479 1.397 41 HB2 ARG 6 2HB ARG 6 -8.013 2.102 -1.039 42 HB3 ARG 6 1HB ARG 6 -9.018 0.769 -0.495 43 HG2 ARG 6 2HG ARG 6 -9.406 1.904 1.618 44 HG3 ARG 6 1HG ARG 6 -8.350 3.224 1.106 45 HD2 ARG 6 2HD ARG 6 -10.757 3.704 0.813 46 HD3 ARG 6 1HD ARG 6 -9.835 3.794 -0.689 47 HE ARG 6 HE ARG 6 -10.780 1.225 -0.540 48 HH11 ARG 6 1HH1 ARG 6 -12.352 4.383 -0.498 49 HH12 ARG 6 2HH1 ARG 6 -13.692 3.898 -1.428 50 HH21 ARG 6 1HH2 ARG 6 -12.569 0.555 -1.789 51 HH22 ARG 6 2HH2 ARG 6 -13.837 1.648 -2.177 52 H LYS 7 H LYS 7 -5.758 0.896 -1.712 53 HA LYS 7 HA LYS 7 -6.437 -1.693 -2.655 54 HB2 LYS 7 2HB LYS 7 -4.258 0.195 -3.563 55 HB3 LYS 7 1HB LYS 7 -4.714 -1.280 -4.407 56 HG2 LYS 7 2HG LYS 7 -6.526 1.080 -3.907 57 HG3 LYS 7 1HG LYS 7 -5.708 0.710 -5.426 58 HD2 LYS 7 2HD LYS 7 -6.953 -1.359 -5.640 59 HD3 LYS 7 1HD LYS 7 -7.693 -1.120 -4.063 60 HE2 LYS 7 2HE LYS 7 -9.228 -0.529 -5.870 61 HE3 LYS 7 1HE LYS 7 -8.838 0.853 -4.860 62 HZ1 LYS 7 1HZ LYS 7 -7.554 0.303 -7.496 63 HZ2 LYS 7 2HZ LYS 7 -7.352 1.662 -6.517 64 HZ3 LYS 7 3HZ LYS 7 -8.824 1.384 -7.229 65 H CYS 8 H CYS 8 -3.903 -0.457 -0.699 66 HA CYS 8 HA CYS 8 -2.194 -2.712 -0.739 67 HB2 CYS 8 2HB CYS 8 -2.732 -0.738 1.471 68 HB3 CYS 8 1HB CYS 8 -1.356 -1.821 1.405 69 H LYS 9 H LYS 9 -4.798 -1.694 1.441 70 HA LYS 9 HA LYS 9 -4.761 -3.946 3.136 71 HB2 LYS 9 2HB LYS 9 -7.031 -2.053 2.493 72 HB3 LYS 9 1HB LYS 9 -6.977 -3.157 3.862 73 HG2 LYS 9 2HG LYS 9 -5.124 -1.962 4.826 74 HG3 LYS 9 1HG LYS 9 -4.989 -0.939 3.397 75 HD2 LYS 9 2HD LYS 9 -6.103 0.282 5.169 76 HD3 LYS 9 1HD LYS 9 -7.244 -0.040 3.868 77 HE2 LYS 9 2HE LYS 9 -8.142 -1.940 5.145 78 HE3 LYS 9 1HE LYS 9 -7.001 -1.587 6.443 79 HZ1 LYS 9 1HZ LYS 9 -9.145 0.226 5.484 80 HZ2 LYS 9 2HZ LYS 9 -8.074 0.553 6.753 81 HZ3 LYS 9 3HZ LYS 9 -9.184 -0.697 6.889 82 H GLU 10 H GLU 10 -6.223 -3.320 0.079 83 HA GLU 10 HA GLU 10 -8.009 -5.514 0.006 84 HB2 GLU 10 2HB GLU 10 -8.282 -3.582 -1.431 85 HB3 GLU 10 1HB GLU 10 -6.714 -3.874 -2.157 86 HG2 GLU 10 2HG GLU 10 -7.546 -5.975 -3.083 87 HG3 GLU 10 1HG GLU 10 -9.134 -5.635 -2.395 88 H LEU 11 H LEU 11 -4.764 -4.908 -1.224 89 HA LEU 11 HA LEU 11 -4.362 -7.409 -2.481 90 HB2 LEU 11 2HB LEU 11 -3.162 -5.317 -3.009 91 HB3 LEU 11 1HB LEU 11 -2.387 -5.388 -1.455 92 HG LEU 11 HG LEU 11 -1.203 -7.432 -2.081 93 HD11 LEU 11 1HD1 LEU 11 -2.796 -8.382 -3.657 94 HD12 LEU 11 2HD1 LEU 11 -1.210 -8.209 -4.408 95 HD13 LEU 11 3HD1 LEU 11 -2.492 -7.059 -4.783 96 HD21 LEU 11 1HD2 LEU 11 -0.889 -5.171 -4.047 97 HD22 LEU 11 2HD2 LEU 11 0.310 -6.426 -3.730 98 HD23 LEU 11 3HD2 LEU 11 -0.136 -5.290 -2.456 99 H DAS 12 H DAS 12 -3.611 -6.130 0.692 100 HA DAS 12 HA DAS 12 -2.923 -8.844 1.549 101 HB2 DAS 12 1HB DAS 12 -5.143 -8.092 2.369 102 HB3 DAS 12 2HB DAS 12 -4.373 -6.707 3.132 103 H THR 13 H THR 13 -1.015 -9.021 2.577 104 HA THR 13 HA THR 13 0.338 -6.508 3.240 105 HB THR 13 HB THR 13 0.113 -8.133 5.152 106 HG1 THR 13 1HG THR 13 2.004 -6.686 4.779 107 HG21 THR 13 1HG2 THR 13 1.484 -10.187 5.161 108 HG22 THR 13 2HG2 THR 13 1.927 -9.889 3.480 109 HG23 THR 13 3HG2 THR 13 0.253 -10.238 3.901 110 H ARG 14 H ARG 14 -0.030 -8.457 0.810 111 HA ARG 14 HA ARG 14 2.592 -9.223 0.018 112 HB2 ARG 14 2HB ARG 14 0.051 -8.940 -1.603 113 HB3 ARG 14 1HB ARG 14 1.533 -9.675 -2.191 114 HG2 ARG 14 2HG ARG 14 -0.142 -10.675 0.110 115 HG3 ARG 14 1HG ARG 14 -0.096 -11.355 -1.516 116 HD2 ARG 14 2HD ARG 14 2.221 -11.209 0.416 117 HD3 ARG 14 1HD ARG 14 1.287 -12.648 0.028 118 HE ARG 14 HE ARG 14 2.090 -12.114 -2.358 119 HH11 ARG 14 1HH1 ARG 14 4.024 -11.851 0.603 120 HH12 ARG 14 2HH1 ARG 14 5.516 -12.002 -0.214 121 HH21 ARG 14 1HH2 ARG 14 4.144 -12.331 -3.433 122 HH22 ARG 14 2HH2 ARG 14 5.584 -12.319 -2.524 123 HA DPR 15 HA DPR 15 3.285 -5.809 -3.008 124 HB2 DPR 15 1HB DPR 15 5.969 -6.166 -3.208 125 HB3 DPR 15 2HB DPR 15 4.811 -7.080 -4.180 126 HG2 DPR 15 1HG DPR 15 6.263 -7.885 -1.691 127 HG3 DPR 15 2HG DPR 15 5.938 -8.836 -3.150 128 HD2 DPR 15 1HD DPR 15 4.493 -9.089 -0.873 129 HD3 DPR 15 2HD DPR 15 3.801 -9.356 -2.483 130 H DGL 16 H DGL 16 4.623 -6.595 0.080 131 HA DGL 16 HA DGL 16 6.211 -4.336 0.608 132 HB2 DGL 16 1HB DGL 16 6.181 -6.299 2.121 133 HB3 DGL 16 2HB DGL 16 4.523 -5.919 2.570 134 HG2 DGL 16 1HG DGL 16 5.365 -3.699 3.401 135 HG3 DGL 16 2HG DGL 16 6.998 -4.290 3.139 136 H DAL 17 H DAL 17 2.815 -5.003 0.952 137 HA DAL 17 HA DAL 17 1.998 -2.831 2.438 138 HB1 DAL 17 1HB DAL 17 -0.220 -3.322 1.668 139 HB2 DAL 17 2HB DAL 17 0.650 -4.839 1.887 140 HB3 DAL 17 3HB DAL 17 0.417 -4.184 0.268 141 H DGL 18 H DGL 18 1.970 -3.140 -1.100 142 HA DGL 18 HA DGL 18 1.035 -0.523 -1.574 143 HB2 DGL 18 1HB DGL 18 0.899 -2.512 -3.119 144 HB3 DGL 18 2HB DGL 18 2.603 -2.299 -3.450 145 HG2 DGL 18 1HG DGL 18 0.586 -0.158 -4.042 146 HG3 DGL 18 2HG DGL 18 0.992 -1.422 -5.194 147 H DAR 19 H DAR 19 4.304 -1.889 -1.491 148 HA DAR 19 HA DAR 19 5.778 0.405 -2.205 149 HB2 DAR 19 1HB DAR 19 6.488 -1.823 -0.297 150 HB3 DAR 19 2HB DAR 19 7.617 -0.601 -0.848 151 HG2 DAR 19 1HG DAR 19 7.450 -1.373 -3.103 152 HG3 DAR 19 2HG DAR 19 6.247 -2.580 -2.627 153 HD2 DAR 19 1HD DAR 19 8.517 -3.524 -2.825 154 HD3 DAR 19 2HD DAR 19 7.876 -3.662 -1.186 155 HE DAR 19 HE DAR 19 9.387 -1.292 -1.506 156 HH11 DAR 19 1HH2 DAR 19 11.470 -1.088 -0.496 157 HH12 DAR 19 2HH2 DAR 19 12.291 -2.475 0.037 158 HH21 DAR 19 1HH1 DAR 19 9.815 -4.792 -1.029 159 HH22 DAR 19 2HH1 DAR 19 11.341 -4.641 -0.308 160 H DLY 20 H DLY 20 4.830 -0.818 0.939 161 HA DLY 20 HA DLY 20 5.964 1.250 2.449 162 HB2 DLY 20 1HB DLY 20 5.475 -1.021 3.252 163 HB3 DLY 20 2HB DLY 20 3.764 -0.673 3.124 164 HG2 DLY 20 1HG DLY 20 3.854 0.900 4.911 165 HG3 DLY 20 2HG DLY 20 5.617 0.818 4.946 166 HD2 DLY 20 1HD DLY 20 4.585 -0.526 6.741 167 HD3 DLY 20 2HD DLY 20 5.531 -1.513 5.628 168 HE2 DLY 20 1HE DLY 20 3.448 -2.144 4.454 169 HE3 DLY 20 2HE DLY 20 2.522 -1.224 5.635 170 HZ1 DLY 20 1HZ DLY 20 3.485 -2.682 7.362 171 HZ2 DLY 20 2HZ DLY 20 4.165 -3.639 6.116 172 HZ3 DLY 20 3HZ DLY 20 2.501 -3.477 6.247 173 H DCY 21 H DCY 21 2.766 0.823 1.006 174 HA DCY 21 HA DCY 21 1.604 3.060 2.241 175 HB2 DCY 21 1HB DCY 21 0.985 1.812 -0.418 176 HB3 DCY 21 2HB DCY 21 0.063 3.133 0.292 177 H DAR 22 H DAR 22 3.487 2.792 -0.776 178 HA DAR 22 HA DAR 22 3.138 5.601 -1.254 179 HB2 DAR 22 1HB DAR 22 4.684 5.384 -3.119 180 HB3 DAR 22 2HB DAR 22 3.526 4.069 -3.155 181 HG2 DAR 22 1HG DAR 22 5.145 2.546 -2.267 182 HG3 DAR 22 2HG DAR 22 6.313 3.851 -2.085 183 HD2 DAR 22 1HD DAR 22 6.838 2.611 -4.062 184 HD3 DAR 22 2HD DAR 22 6.248 4.203 -4.527 185 HE DAR 22 HE DAR 22 4.230 2.139 -4.492 186 HH11 DAR 22 1HH1 DAR 22 6.607 3.850 -6.483 187 HH12 DAR 22 2HH1 DAR 22 5.904 3.346 -7.953 188 HH21 DAR 22 1HH2 DAR 22 3.400 1.419 -6.395 189 HH22 DAR 22 2HH2 DAR 22 4.037 1.871 -7.935 190 H DGL 23 H DGL 23 5.268 3.702 0.582 191 HA DGL 23 HA DGL 23 7.376 5.532 1.041 192 HB2 DGL 23 1HB DGL 23 7.466 3.151 1.664 193 HB3 DGL 23 2HB DGL 23 6.161 3.394 2.809 194 HG2 DGL 23 1HG DGL 23 8.201 3.254 4.015 195 HG3 DGL 23 2HG DGL 23 7.600 4.907 4.094 196 H DGL 24 H DGL 24 4.452 4.764 2.874 197 HA DGL 24 HA DGL 24 4.606 6.874 4.731 198 HB2 DGL 24 1HB DGL 24 2.237 5.293 3.745 199 HB3 DGL 24 2HB DGL 24 2.210 6.387 5.117 200 HG2 DGL 24 1HG DGL 24 3.758 5.004 6.321 201 HG3 DGL 24 2HG DGL 24 3.916 3.929 4.929 202 H SER 25 H SER 25 2.483 6.447 1.925 203 HA SER 25 HA SER 25 2.508 9.273 1.396 204 HB2 SER 25 2HB SER 25 2.584 7.626 -0.469 205 HB3 SER 25 1HB SER 25 1.017 7.000 0.033 206 HG SER 25 HG SER 25 1.438 8.846 -1.680 207 H ASP 26 H ASP 26 0.353 10.267 0.960 208 HA ASP 26 HA ASP 26 -1.272 9.883 3.376 209 HB2 ASP 26 2HB ASP 26 -0.199 12.120 2.855 210 HB3 ASP 26 1HB ASP 26 -1.251 12.226 1.454
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