NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
619741 | 5jpx | 30075 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 86 HN GLY 86 9.359 -3.972 -7.209 2 HA2 GLY 86 HA2 GLY 86 12.223 -4.231 -7.299 3 HA3 GLY 86 HA1 GLY 86 11.407 -5.529 -8.174 4 H THR 87 HN THR 87 9.918 -2.417 -7.908 5 HA THR 87 HA THR 87 9.619 -2.188 -10.751 6 HB THR 87 HB THR 87 8.433 0.034 -10.022 7 HG1 THR 87 HG1 THR 87 8.251 0.430 -7.915 8 HG21 THR 87 HG21 THR 87 6.418 -1.138 -9.225 9 HG22 THR 87 HG22 THR 87 7.369 -2.591 -8.911 10 HG23 THR 87 HG23 THR 87 7.156 -2.018 -10.566 11 H GLN 88 HN GLN 88 11.715 -1.893 -11.592 12 HA GLN 88 HA GLN 88 13.564 0.096 -10.782 13 HB2 GLN 88 HB2 GLN 88 14.234 -1.867 -12.140 14 HB3 GLN 88 HB1 GLN 88 13.270 -1.281 -13.491 15 HG2 GLN 88 HG2 GLN 88 14.742 0.677 -13.726 16 HG3 GLN 88 HG1 GLN 88 15.676 0.165 -12.320 17 HE21 GLN 88 HE21 GLN 88 16.516 0.595 -15.133 18 HE22 GLN 88 HE22 GLN 88 17.252 -0.891 -15.615 19 H GLY 89 HN GLY 89 12.913 2.136 -10.678 20 HA2 GLY 89 HA2 GLY 89 12.656 4.203 -12.079 21 HA3 GLY 89 HA1 GLY 89 11.314 3.368 -12.866 22 H GLU 90 HN GLU 90 12.232 5.295 -10.207 23 HA GLU 90 HA GLU 90 9.895 4.726 -8.561 24 HB2 GLU 90 HB2 GLU 90 12.082 6.848 -8.237 25 HB3 GLU 90 HB1 GLU 90 10.849 6.444 -7.041 26 HG2 GLU 90 HG2 GLU 90 11.783 4.191 -6.785 27 HG3 GLU 90 HG1 GLU 90 12.981 4.515 -8.038 28 H ARG 91 HN ARG 91 8.082 5.344 -9.589 29 HA ARG 91 HA ARG 91 7.820 7.940 -10.928 30 HB2 ARG 91 HB2 ARG 91 5.874 5.604 -10.577 31 HB3 ARG 91 HB1 ARG 91 5.409 7.124 -11.322 32 HG2 ARG 91 HG2 ARG 91 5.828 5.671 -13.116 33 HG3 ARG 91 HG1 ARG 91 7.249 6.712 -13.034 34 HD2 ARG 91 HD2 ARG 91 8.571 4.951 -12.062 35 HD3 ARG 91 HD1 ARG 91 7.141 3.951 -11.808 36 HE ARG 91 HE ARG 91 7.216 3.267 -13.974 37 HH11 ARG 91 HH11 ARG 91 9.415 6.006 -13.710 38 HH12 ARG 91 HH12 ARG 91 10.007 5.810 -15.329 39 HH21 ARG 91 HH21 ARG 91 8.001 3.051 -16.064 40 HH22 ARG 91 HH22 ARG 91 9.213 4.151 -16.641 41 H CYS 92 HN CYS 92 6.250 9.481 -10.335 42 HA CYS 92 HA CYS 92 5.651 9.812 -7.547 43 HB2 CYS 92 HB2 CYS 92 5.786 11.563 -9.770 44 HB3 CYS 92 HB1 CYS 92 4.071 11.544 -9.359 45 H ALA 93 HN ALA 93 4.245 8.351 -6.702 46 HA ALA 93 HA ALA 93 2.424 6.807 -8.253 47 HB1 ALA 93 HB1 ALA 93 1.857 5.729 -6.120 48 HB2 ALA 93 HB2 ALA 93 2.696 7.004 -5.231 49 HB3 ALA 93 HB3 ALA 93 3.603 5.919 -6.286 50 H VAL 94 HN VAL 94 2.052 9.701 -6.326 51 HA VAL 94 HA VAL 94 -0.696 9.657 -5.747 52 HB VAL 94 HB VAL 94 1.113 12.067 -6.241 53 HG11 VAL 94 HG11 VAL 94 -1.245 12.773 -6.380 54 HG12 VAL 94 HG12 VAL 94 -0.509 13.388 -4.900 55 HG13 VAL 94 HG13 VAL 94 -1.587 11.994 -4.834 56 HG21 VAL 94 HG21 VAL 94 0.377 10.677 -3.639 57 HG22 VAL 94 HG22 VAL 94 1.374 12.127 -3.783 58 HG23 VAL 94 HG23 VAL 94 1.943 10.594 -4.450 59 H HIS 95 HN HIS 95 1.009 10.860 -8.638 60 HA HIS 95 HA HIS 95 -1.539 11.635 -9.909 61 HB2 HIS 95 HB2 HIS 95 1.045 12.103 -11.360 62 HB3 HIS 95 HB1 HIS 95 -0.370 13.129 -11.238 63 HD1 HIS 95 HD1 HIS 95 -0.333 13.509 -8.077 64 HD2 HIS 95 HD2 HIS 95 2.915 13.816 -10.638 65 HE1 HIS 95 HE1 HIS 95 1.452 14.834 -6.839 66 H GLY 96 HN GLY 96 1.215 9.493 -10.255 67 HA2 GLY 96 HA2 GLY 96 1.298 7.415 -11.338 68 HA3 GLY 96 HA1 GLY 96 -0.154 7.818 -12.246 69 H GLU 97 HN GLU 97 3.011 9.430 -11.797 70 HA GLU 97 HA GLU 97 3.549 9.328 -14.715 71 HB2 GLU 97 HB2 GLU 97 4.176 11.722 -14.732 72 HB3 GLU 97 HB1 GLU 97 2.495 11.548 -14.237 73 HG2 GLU 97 HG2 GLU 97 3.041 11.963 -11.927 74 HG3 GLU 97 HG1 GLU 97 4.772 11.873 -12.261 75 H ARG 98 HN ARG 98 5.807 9.731 -15.238 76 HA ARG 98 HA ARG 98 7.814 8.799 -13.455 77 HB2 ARG 98 HB2 ARG 98 7.927 8.665 -15.973 78 HB3 ARG 98 HB1 ARG 98 8.136 10.413 -16.023 79 HG2 ARG 98 HG2 ARG 98 10.257 10.169 -14.730 80 HG3 ARG 98 HG1 ARG 98 10.038 8.419 -14.755 81 HD2 ARG 98 HD2 ARG 98 11.609 8.942 -16.467 82 HD3 ARG 98 HD1 ARG 98 10.099 8.540 -17.284 83 HE ARG 98 HE ARG 98 10.059 11.281 -16.996 84 HH11 ARG 98 HH11 ARG 98 12.181 8.977 -18.611 85 HH12 ARG 98 HH12 ARG 98 12.729 10.137 -19.778 86 HH21 ARG 98 HH21 ARG 98 10.807 12.779 -18.535 87 HH22 ARG 98 HH22 ARG 98 11.956 12.279 -19.740 88 H LEU 99 HN LEU 99 9.270 10.000 -12.156 89 HA LEU 99 HA LEU 99 8.647 12.873 -11.861 90 HB2 LEU 99 HB2 LEU 99 9.048 12.727 -9.499 91 HB3 LEU 99 HB1 LEU 99 7.915 11.486 -9.946 92 HG LEU 99 HG LEU 99 9.938 9.848 -9.798 93 HD11 LEU 99 HD11 LEU 99 11.736 10.444 -8.247 94 HD12 LEU 99 HD12 LEU 99 11.146 12.105 -8.176 95 HD13 LEU 99 HD13 LEU 99 11.779 11.456 -9.691 96 HD21 LEU 99 HD21 LEU 99 9.627 9.518 -7.378 97 HD22 LEU 99 HD22 LEU 99 8.092 9.833 -8.181 98 HD23 LEU 99 HD23 LEU 99 8.873 11.111 -7.248 99 H HIS 100 HN HIS 100 10.266 14.350 -12.014 100 HA HIS 100 HA HIS 100 13.025 13.555 -11.384 101 HB2 HIS 100 HB2 HIS 100 12.140 15.002 -13.905 102 HB3 HIS 100 HB1 HIS 100 13.784 15.161 -13.298 103 HD1 HIS 100 HD1 HIS 100 15.345 13.124 -13.606 104 HD2 HIS 100 HD2 HIS 100 11.503 12.510 -15.077 105 HE1 HIS 100 HE1 HIS 100 15.447 11.031 -14.996 106 H LEU 101 HN LEU 101 12.870 14.553 -9.461 107 HA LEU 101 HA LEU 101 13.770 17.221 -9.354 108 HB2 LEU 101 HB2 LEU 101 11.220 17.589 -9.489 109 HB3 LEU 101 HB1 LEU 101 11.088 16.787 -7.946 110 HG LEU 101 HG LEU 101 10.936 19.335 -7.945 111 HD11 LEU 101 HD11 LEU 101 12.112 19.649 -5.841 112 HD12 LEU 101 HD12 LEU 101 13.008 18.149 -6.087 113 HD13 LEU 101 HD13 LEU 101 11.258 18.105 -5.870 114 HD21 LEU 101 HD21 LEU 101 13.934 19.204 -8.388 115 HD22 LEU 101 HD22 LEU 101 13.002 20.646 -7.976 116 HD23 LEU 101 HD23 LEU 101 12.736 19.837 -9.518 117 H PHE 102 HN PHE 102 14.972 17.449 -7.456 118 HA PHE 102 HA PHE 102 14.704 15.375 -5.363 119 HB2 PHE 102 HB2 PHE 102 16.782 14.961 -6.690 120 HB3 PHE 102 HB1 PHE 102 17.336 16.598 -6.338 121 HD1 PHE 102 HD1 PHE 102 18.805 16.865 -4.498 122 HD2 PHE 102 HD2 PHE 102 16.131 13.518 -4.525 123 HE1 PHE 102 HE1 PHE 102 19.786 16.052 -2.393 124 HE2 PHE 102 HE2 PHE 102 17.124 12.714 -2.423 125 HZ PHE 102 HZ PHE 102 18.948 13.977 -1.353 126 H CYS 103 HN CYS 103 13.805 16.439 -3.709 127 HA CYS 103 HA CYS 103 14.450 19.134 -2.967 128 HB2 CYS 103 HB2 CYS 103 13.107 16.861 -1.429 129 HB3 CYS 103 HB1 CYS 103 13.220 18.523 -0.869 130 HG CYS 103 HG CYS 103 11.136 19.422 -2.100 131 H GLU 104 HN GLU 104 16.509 19.524 -2.384 132 HA GLU 104 HA GLU 104 18.245 17.672 -1.045 133 HB2 GLU 104 HB2 GLU 104 18.471 20.699 -1.264 134 HB3 GLU 104 HB1 GLU 104 19.783 19.567 -0.921 135 HG2 GLU 104 HG2 GLU 104 19.681 18.660 -3.162 136 HG3 GLU 104 HG1 GLU 104 18.203 19.554 -3.519 137 H LYS 105 HN LYS 105 16.168 20.356 -0.120 138 HA LYS 105 HA LYS 105 16.780 20.590 2.617 139 HB2 LYS 105 HB2 LYS 105 14.533 21.762 2.744 140 HB3 LYS 105 HB1 LYS 105 15.633 22.387 1.525 141 HG2 LYS 105 HG2 LYS 105 14.396 21.192 -0.233 142 HG3 LYS 105 HG1 LYS 105 13.284 20.539 0.972 143 HD2 LYS 105 HD2 LYS 105 13.653 23.499 0.314 144 HD3 LYS 105 HD1 LYS 105 12.321 22.485 -0.242 145 HE2 LYS 105 HE2 LYS 105 12.921 23.169 2.663 146 HE3 LYS 105 HE1 LYS 105 11.653 23.896 1.677 147 HZ1 LYS 105 HZ1 LYS 105 11.822 21.018 2.404 148 HZ2 LYS 105 HZ2 LYS 105 10.586 21.749 1.510 149 HZ3 LYS 105 HZ3 LYS 105 10.812 22.162 3.132 150 H ASP 106 HN ASP 106 14.215 18.722 0.987 151 HA ASP 106 HA ASP 106 13.304 17.468 3.451 152 HB2 ASP 106 HB2 ASP 106 12.515 17.067 0.535 153 HB3 ASP 106 HB1 ASP 106 11.776 16.183 1.857 154 H GLY 107 HN GLY 107 15.487 16.788 0.838 155 HA2 GLY 107 HA2 GLY 107 16.798 15.042 0.248 156 HA3 GLY 107 HA1 GLY 107 16.584 14.388 1.872 157 H LYS 108 HN LYS 108 14.338 15.010 -0.793 158 HA LYS 108 HA LYS 108 13.485 12.176 -0.908 159 HB2 LYS 108 HB2 LYS 108 11.659 14.614 -0.589 160 HB3 LYS 108 HB1 LYS 108 11.085 13.000 -1.001 161 HG2 LYS 108 HG2 LYS 108 11.693 12.125 1.149 162 HG3 LYS 108 HG1 LYS 108 12.619 13.572 1.547 163 HD2 LYS 108 HD2 LYS 108 10.491 13.539 2.771 164 HD3 LYS 108 HD1 LYS 108 10.548 14.898 1.648 165 HE2 LYS 108 HE2 LYS 108 9.121 13.630 0.056 166 HE3 LYS 108 HE1 LYS 108 9.062 12.279 1.192 167 HZ1 LYS 108 HZ1 LYS 108 7.991 15.006 1.610 168 HZ2 LYS 108 HZ2 LYS 108 8.053 13.817 2.806 169 HZ3 LYS 108 HZ3 LYS 108 7.099 13.577 1.431 170 H ALA 109 HN ALA 109 12.314 11.670 -2.940 171 HA ALA 109 HA ALA 109 13.232 13.330 -5.211 172 HB1 ALA 109 HB1 ALA 109 13.025 11.270 -6.552 173 HB2 ALA 109 HB2 ALA 109 12.414 10.400 -5.142 174 HB3 ALA 109 HB3 ALA 109 14.070 11.009 -5.155 175 H LEU 110 HN LEU 110 11.672 14.715 -5.796 176 HA LEU 110 HA LEU 110 8.837 13.852 -5.944 177 HB2 LEU 110 HB2 LEU 110 10.028 16.653 -5.869 178 HB3 LEU 110 HB1 LEU 110 8.314 16.278 -5.965 179 HG LEU 110 HG LEU 110 10.164 15.774 -3.599 180 HD11 LEU 110 HD11 LEU 110 8.714 17.358 -2.415 181 HD12 LEU 110 HD12 LEU 110 7.742 17.589 -3.871 182 HD13 LEU 110 HD13 LEU 110 9.431 18.102 -3.844 183 HD21 LEU 110 HD21 LEU 110 8.203 14.876 -2.384 184 HD22 LEU 110 HD22 LEU 110 8.622 13.873 -3.769 185 HD23 LEU 110 HD23 LEU 110 7.239 14.966 -3.863 186 H CYS 111 HN CYS 111 7.736 15.416 -7.762 187 HA CYS 111 HA CYS 111 9.286 15.119 -10.280 188 HB2 CYS 111 HB2 CYS 111 7.175 14.969 -11.452 189 HB3 CYS 111 HB1 CYS 111 7.085 13.855 -10.086 190 H TRP 112 HN TRP 112 8.490 16.800 -11.993 191 HA TRP 112 HA TRP 112 9.006 19.435 -11.249 192 HB2 TRP 112 HB2 TRP 112 9.184 18.742 -13.580 193 HB3 TRP 112 HB1 TRP 112 7.466 18.370 -13.653 194 HD1 TRP 112 HD1 TRP 112 9.698 21.530 -13.082 195 HE1 TRP 112 HE1 TRP 112 8.529 23.539 -14.168 196 HE3 TRP 112 HE3 TRP 112 5.407 19.249 -14.664 197 HZ2 TRP 112 HZ2 TRP 112 6.140 24.111 -15.524 198 HZ3 TRP 112 HZ3 TRP 112 3.719 20.601 -15.844 199 HH2 TRP 112 HH2 TRP 112 4.076 22.988 -16.267 200 H VAL 113 HN VAL 113 5.874 17.761 -11.583 201 HA VAL 113 HA VAL 113 4.141 19.947 -11.194 202 HB VAL 113 HB VAL 113 3.610 17.034 -10.454 203 HG11 VAL 113 HG11 VAL 113 1.640 19.259 -11.128 204 HG12 VAL 113 HG12 VAL 113 1.883 18.535 -9.537 205 HG13 VAL 113 HG13 VAL 113 1.214 17.567 -10.852 206 HG21 VAL 113 HG21 VAL 113 4.413 17.197 -12.773 207 HG22 VAL 113 HG22 VAL 113 3.212 18.442 -13.127 208 HG23 VAL 113 HG23 VAL 113 2.694 16.796 -12.754 209 H CYS 114 HN CYS 114 5.757 17.841 -8.834 210 HA CYS 114 HA CYS 114 4.456 18.995 -6.520 211 HB2 CYS 114 HB2 CYS 114 6.771 17.056 -6.768 212 HB3 CYS 114 HB1 CYS 114 6.213 17.669 -5.208 213 H ALA 115 HN ALA 115 7.311 19.719 -8.427 214 HA ALA 115 HA ALA 115 8.507 21.561 -6.550 215 HB1 ALA 115 HB1 ALA 115 8.775 21.425 -9.577 216 HB2 ALA 115 HB2 ALA 115 9.800 20.590 -8.410 217 HB3 ALA 115 HB3 ALA 115 9.813 22.351 -8.484 218 H GLN 116 HN GLN 116 6.060 21.721 -9.077 219 HA GLN 116 HA GLN 116 5.624 24.578 -8.978 220 HB2 GLN 116 HB2 GLN 116 3.904 22.380 -10.223 221 HB3 GLN 116 HB1 GLN 116 3.729 24.109 -10.512 222 HG2 GLN 116 HG2 GLN 116 6.085 22.387 -11.304 223 HG3 GLN 116 HG1 GLN 116 4.835 22.982 -12.386 224 HE21 GLN 116 HE21 GLN 116 4.832 25.173 -12.962 225 HE22 GLN 116 HE22 GLN 116 6.217 26.180 -12.732 226 H SER 117 HN SER 117 4.796 22.058 -6.905 227 HA SER 117 HA SER 117 2.103 22.598 -6.233 228 HB2 SER 117 HB2 SER 117 3.230 20.473 -5.648 229 HB3 SER 117 HB1 SER 117 4.300 21.329 -4.538 230 HG SER 117 HG SER 117 1.472 21.089 -4.336 231 H ARG 118 HN ARG 118 1.202 24.043 -4.908 232 HA ARG 118 HA ARG 118 2.551 26.338 -3.939 233 HB2 ARG 118 HB2 ARG 118 0.352 26.983 -3.021 234 HB3 ARG 118 HB1 ARG 118 0.171 26.341 -4.650 235 HG2 ARG 118 HG2 ARG 118 -0.518 24.135 -3.637 236 HG3 ARG 118 HG1 ARG 118 -0.484 24.904 -2.051 237 HD2 ARG 118 HD2 ARG 118 -2.776 24.854 -2.817 238 HD3 ARG 118 HD1 ARG 118 -2.223 26.526 -2.877 239 HE ARG 118 HE ARG 118 -2.343 26.498 -5.189 240 HH11 ARG 118 HH11 ARG 118 -2.970 23.251 -4.002 241 HH12 ARG 118 HH12 ARG 118 -3.587 22.689 -5.520 242 HH21 ARG 118 HH21 ARG 118 -3.174 25.732 -7.173 243 HH22 ARG 118 HH22 ARG 118 -3.686 24.078 -7.309 244 H LYS 119 HN LYS 119 2.090 23.210 -2.623 245 HA LYS 119 HA LYS 119 2.178 23.680 0.179 246 HB2 LYS 119 HB2 LYS 119 3.069 21.269 -1.466 247 HB3 LYS 119 HB1 LYS 119 2.900 21.270 0.286 248 HG2 LYS 119 HG2 LYS 119 0.628 21.736 -1.662 249 HG3 LYS 119 HG1 LYS 119 1.028 20.179 -0.926 250 HD2 LYS 119 HD2 LYS 119 0.724 21.342 1.345 251 HD3 LYS 119 HD1 LYS 119 0.013 22.693 0.449 252 HE2 LYS 119 HE2 LYS 119 -1.685 21.133 -0.484 253 HE3 LYS 119 HE1 LYS 119 -0.977 19.823 0.464 254 HZ1 LYS 119 HZ1 LYS 119 -1.558 20.991 2.465 255 HZ2 LYS 119 HZ2 LYS 119 -2.928 20.789 1.495 256 HZ3 LYS 119 HZ3 LYS 119 -2.169 22.295 1.575 257 H HIS 120 HN HIS 120 4.692 22.674 -2.143 258 HA HIS 120 HA HIS 120 6.644 22.393 -0.022 259 HB2 HIS 120 HB2 HIS 120 6.969 21.842 -3.007 260 HB3 HIS 120 HB1 HIS 120 8.004 21.259 -1.704 261 HD1 HIS 120 HD1 HIS 120 5.474 20.367 0.142 262 HD2 HIS 120 HD2 HIS 120 6.215 19.295 -3.798 263 HE1 HIS 120 HE1 HIS 120 4.112 18.285 -0.290 264 H ARG 121 HN ARG 121 7.767 24.078 0.641 265 HA ARG 121 HA ARG 121 8.048 26.539 -0.725 266 HB2 ARG 121 HB2 ARG 121 9.402 25.422 1.760 267 HB3 ARG 121 HB1 ARG 121 9.726 27.044 1.156 268 HG2 ARG 121 HG2 ARG 121 7.003 26.024 2.059 269 HG3 ARG 121 HG1 ARG 121 8.091 27.049 3.003 270 HD2 ARG 121 HD2 ARG 121 7.953 28.761 1.136 271 HD3 ARG 121 HD1 ARG 121 6.682 27.770 0.410 272 HE ARG 121 HE ARG 121 5.583 28.107 2.758 273 HH11 ARG 121 HH11 ARG 121 7.403 30.556 1.002 274 HH12 ARG 121 HH12 ARG 121 6.503 31.873 1.681 275 HH21 ARG 121 HH21 ARG 121 4.433 29.856 3.641 276 HH22 ARG 121 HH22 ARG 121 4.824 31.482 3.174 277 H ASP 122 HN ASP 122 9.090 26.588 -2.567 278 HA ASP 122 HA ASP 122 11.303 25.054 -3.371 279 HB2 ASP 122 HB2 ASP 122 11.388 26.641 -5.322 280 HB3 ASP 122 HB1 ASP 122 9.797 25.948 -5.041 281 H HIS 123 HN HIS 123 13.297 25.203 -2.633 282 HA HIS 123 HA HIS 123 14.809 27.643 -2.746 283 HB2 HIS 123 HB2 HIS 123 13.980 27.891 -0.441 284 HB3 HIS 123 HB1 HIS 123 14.456 26.243 -0.048 285 HD1 HIS 123 HD1 HIS 123 16.823 25.937 0.834 286 HD2 HIS 123 HD2 HIS 123 16.239 29.679 -0.870 287 HE1 HIS 123 HE1 HIS 123 18.907 27.270 1.329 288 H ALA 124 HN ALA 124 15.378 24.674 -0.841 289 HA ALA 124 HA ALA 124 17.747 24.074 -2.472 290 HB1 ALA 124 HB1 ALA 124 18.041 24.169 -0.021 291 HB2 ALA 124 HB2 ALA 124 18.356 22.544 -0.639 292 HB3 ALA 124 HB3 ALA 124 16.831 22.897 0.173 293 H MET 125 HN MET 125 16.237 23.527 -4.243 294 HA MET 125 HA MET 125 15.699 20.649 -4.295 295 HB2 MET 125 HB2 MET 125 13.612 22.646 -5.316 296 HB3 MET 125 HB1 MET 125 13.502 20.893 -5.376 297 HG2 MET 125 HG2 MET 125 13.603 21.045 -2.772 298 HG3 MET 125 HG1 MET 125 13.163 22.730 -3.017 299 HE1 MET 125 HE1 MET 125 9.695 22.062 -5.023 300 HE2 MET 125 HE2 MET 125 11.270 21.984 -5.814 301 HE3 MET 125 HE3 MET 125 10.915 23.292 -4.682 302 H VAL 126 HN VAL 126 16.857 19.936 -5.988 303 HA VAL 126 HA VAL 126 17.019 21.550 -8.480 304 HB VAL 126 HB VAL 126 19.225 20.439 -8.926 305 HG11 VAL 126 HG11 VAL 126 20.579 21.778 -7.348 306 HG12 VAL 126 HG12 VAL 126 19.163 22.014 -6.321 307 HG13 VAL 126 HG13 VAL 126 19.196 22.702 -7.947 308 HG21 VAL 126 HG21 VAL 126 18.940 18.407 -7.530 309 HG22 VAL 126 HG22 VAL 126 19.022 19.385 -6.065 310 HG23 VAL 126 HG23 VAL 126 20.439 19.245 -7.110 311 HA PRO 127 HA PRO 127 14.916 17.992 -10.324 312 HB2 PRO 127 HB2 PRO 127 15.668 18.356 -12.975 313 HB3 PRO 127 HB1 PRO 127 14.360 19.246 -12.182 314 HG2 PRO 127 HG2 PRO 127 17.216 20.085 -12.650 315 HG3 PRO 127 HG1 PRO 127 15.726 21.028 -12.853 316 HD2 PRO 127 HD2 PRO 127 17.283 21.337 -10.673 317 HD3 PRO 127 HD1 PRO 127 15.507 21.428 -10.553 318 H LEU 128 HN LEU 128 15.362 15.935 -11.271 319 HA LEU 128 HA LEU 128 17.917 14.829 -10.508 320 HB2 LEU 128 HB2 LEU 128 15.443 13.590 -11.783 321 HB3 LEU 128 HB1 LEU 128 16.863 12.659 -11.312 322 HG LEU 128 HG LEU 128 15.097 14.245 -9.389 323 HD11 LEU 128 HD11 LEU 128 15.207 11.243 -9.836 324 HD12 LEU 128 HD12 LEU 128 13.879 12.317 -10.286 325 HD13 LEU 128 HD13 LEU 128 14.274 12.075 -8.587 326 HD21 LEU 128 HD21 LEU 128 17.403 12.353 -8.797 327 HD22 LEU 128 HD22 LEU 128 16.341 13.086 -7.592 328 HD23 LEU 128 HD23 LEU 128 17.401 14.102 -8.565 329 H GLU 129 HN GLU 129 19.538 15.519 -11.859 330 HA GLU 129 HA GLU 129 19.154 15.570 -14.776 331 HB2 GLU 129 HB2 GLU 129 21.358 16.837 -13.085 332 HB3 GLU 129 HB1 GLU 129 21.126 17.080 -14.815 333 HG2 GLU 129 HG2 GLU 129 19.228 17.967 -12.617 334 HG3 GLU 129 HG1 GLU 129 20.343 19.002 -13.503 335 H GLU 130 HN GLU 130 19.755 13.153 -13.177 336 HA GLU 130 HA GLU 130 22.473 12.379 -13.853 337 HB2 GLU 130 HB2 GLU 130 20.219 10.719 -12.620 338 HB3 GLU 130 HB1 GLU 130 21.879 10.175 -12.818 339 HG2 GLU 130 HG2 GLU 130 21.662 10.808 -10.538 340 HG3 GLU 130 HG1 GLU 130 22.591 12.092 -11.314 Start of MODEL 2 1 H GLY 86 HN GLY 86 3.938 -5.564 -15.709 2 HA2 GLY 86 HA2 GLY 86 6.535 -5.941 -14.476 3 HA3 GLY 86 HA1 GLY 86 6.160 -5.985 -16.190 4 H THR 87 HN THR 87 5.884 -3.483 -13.674 5 HA THR 87 HA THR 87 7.974 -1.860 -14.879 6 HB THR 87 HB THR 87 6.042 -0.935 -16.036 7 HG1 THR 87 HG1 THR 87 6.210 1.198 -15.321 8 HG21 THR 87 HG21 THR 87 4.213 -1.729 -14.603 9 HG22 THR 87 HG22 THR 87 4.080 0.014 -14.851 10 HG23 THR 87 HG23 THR 87 4.701 -0.618 -13.323 11 H GLN 88 HN GLN 88 9.072 -0.716 -13.343 12 HA GLN 88 HA GLN 88 8.036 -0.398 -10.607 13 HB2 GLN 88 HB2 GLN 88 10.577 -1.911 -11.361 14 HB3 GLN 88 HB1 GLN 88 10.381 -1.185 -9.768 15 HG2 GLN 88 HG2 GLN 88 8.421 -2.594 -9.332 16 HG3 GLN 88 HG1 GLN 88 8.535 -3.286 -10.950 17 HE21 GLN 88 HE21 GLN 88 8.682 -4.579 -8.306 18 HE22 GLN 88 HE22 GLN 88 10.176 -5.444 -8.291 19 H GLY 89 HN GLY 89 8.983 1.165 -13.167 20 HA2 GLY 89 HA2 GLY 89 11.214 2.761 -12.566 21 HA3 GLY 89 HA1 GLY 89 9.875 3.227 -13.609 22 H GLU 90 HN GLU 90 11.521 4.464 -11.190 23 HA GLU 90 HA GLU 90 9.607 4.955 -9.137 24 HB2 GLU 90 HB2 GLU 90 12.292 6.277 -9.694 25 HB3 GLU 90 HB1 GLU 90 11.317 6.564 -8.248 26 HG2 GLU 90 HG2 GLU 90 11.460 4.046 -7.811 27 HG3 GLU 90 HG1 GLU 90 12.656 3.974 -9.104 28 H ARG 91 HN ARG 91 7.840 5.804 -9.953 29 HA ARG 91 HA ARG 91 7.820 8.481 -11.208 30 HB2 ARG 91 HB2 ARG 91 5.632 6.345 -11.028 31 HB3 ARG 91 HB1 ARG 91 5.492 7.887 -11.871 32 HG2 ARG 91 HG2 ARG 91 7.226 7.185 -13.477 33 HG3 ARG 91 HG1 ARG 91 7.419 5.656 -12.614 34 HD2 ARG 91 HD2 ARG 91 4.922 6.603 -14.071 35 HD3 ARG 91 HD1 ARG 91 6.037 5.338 -14.608 36 HE ARG 91 HE ARG 91 4.746 4.953 -12.008 37 HH11 ARG 91 HH11 ARG 91 4.840 4.057 -15.384 38 HH12 ARG 91 HH12 ARG 91 3.770 2.708 -15.180 39 HH21 ARG 91 HH21 ARG 91 3.377 3.179 -11.738 40 HH22 ARG 91 HH22 ARG 91 2.946 2.204 -13.106 41 H CYS 92 HN CYS 92 6.413 10.078 -10.304 42 HA CYS 92 HA CYS 92 6.047 10.157 -7.505 43 HB2 CYS 92 HB2 CYS 92 6.042 12.148 -9.196 44 HB3 CYS 92 HB1 CYS 92 4.316 11.781 -9.425 45 H ALA 93 HN ALA 93 4.825 8.648 -6.513 46 HA ALA 93 HA ALA 93 2.892 7.030 -7.770 47 HB1 ALA 93 HB1 ALA 93 2.591 6.017 -5.556 48 HB2 ALA 93 HB2 ALA 93 3.445 7.369 -4.807 49 HB3 ALA 93 HB3 ALA 93 4.303 6.280 -5.899 50 H VAL 94 HN VAL 94 2.533 10.085 -6.234 51 HA VAL 94 HA VAL 94 -0.118 9.906 -5.244 52 HB VAL 94 HB VAL 94 1.264 12.461 -6.180 53 HG11 VAL 94 HG11 VAL 94 -0.125 13.569 -4.446 54 HG12 VAL 94 HG12 VAL 94 -0.887 12.022 -4.069 55 HG13 VAL 94 HG13 VAL 94 -1.121 12.756 -5.656 56 HG21 VAL 94 HG21 VAL 94 2.814 11.272 -4.697 57 HG22 VAL 94 HG22 VAL 94 1.554 11.098 -3.474 58 HG23 VAL 94 HG23 VAL 94 2.169 12.702 -3.884 59 H HIS 95 HN HIS 95 1.215 10.893 -8.385 60 HA HIS 95 HA HIS 95 -1.498 11.387 -9.484 61 HB2 HIS 95 HB2 HIS 95 0.958 12.039 -11.110 62 HB3 HIS 95 HB1 HIS 95 -0.568 12.879 -11.024 63 HD1 HIS 95 HD1 HIS 95 -0.655 13.767 -8.074 64 HD2 HIS 95 HD2 HIS 95 2.752 13.814 -10.439 65 HE1 HIS 95 HE1 HIS 95 0.995 15.308 -6.938 66 H GLY 96 HN GLY 96 1.480 9.591 -9.892 67 HA2 GLY 96 HA2 GLY 96 1.750 7.430 -10.765 68 HA3 GLY 96 HA1 GLY 96 0.236 7.594 -11.641 69 H GLU 97 HN GLU 97 2.966 9.873 -11.595 70 HA GLU 97 HA GLU 97 3.548 9.313 -14.436 71 HB2 GLU 97 HB2 GLU 97 3.620 11.750 -14.910 72 HB3 GLU 97 HB1 GLU 97 2.024 11.211 -14.439 73 HG2 GLU 97 HG2 GLU 97 2.251 13.276 -13.360 74 HG3 GLU 97 HG1 GLU 97 2.575 12.095 -12.090 75 H ARG 98 HN ARG 98 5.682 10.056 -15.120 76 HA ARG 98 HA ARG 98 7.647 9.186 -13.276 77 HB2 ARG 98 HB2 ARG 98 7.725 8.836 -15.761 78 HB3 ARG 98 HB1 ARG 98 8.104 10.541 -15.968 79 HG2 ARG 98 HG2 ARG 98 10.220 10.258 -14.784 80 HG3 ARG 98 HG1 ARG 98 9.826 8.581 -14.404 81 HD2 ARG 98 HD2 ARG 98 11.398 8.648 -16.268 82 HD3 ARG 98 HD1 ARG 98 9.836 8.043 -16.831 83 HE ARG 98 HE ARG 98 10.786 10.823 -17.258 84 HH11 ARG 98 HH11 ARG 98 9.076 7.998 -18.489 85 HH12 ARG 98 HH12 ARG 98 8.819 8.712 -20.051 86 HH21 ARG 98 HH21 ARG 98 10.415 11.716 -19.305 87 HH22 ARG 98 HH22 ARG 98 9.570 10.801 -20.514 88 H LEU 99 HN LEU 99 9.132 10.296 -12.071 89 HA LEU 99 HA LEU 99 8.621 13.170 -11.687 90 HB2 LEU 99 HB2 LEU 99 9.533 12.843 -9.428 91 HB3 LEU 99 HB1 LEU 99 8.197 11.762 -9.744 92 HG LEU 99 HG LEU 99 10.067 9.958 -10.200 93 HD11 LEU 99 HD11 LEU 99 11.705 11.882 -8.522 94 HD12 LEU 99 HD12 LEU 99 12.028 11.428 -10.196 95 HD13 LEU 99 HD13 LEU 99 12.143 10.217 -8.922 96 HD21 LEU 99 HD21 LEU 99 8.502 9.847 -8.315 97 HD22 LEU 99 HD22 LEU 99 9.548 10.906 -7.367 98 HD23 LEU 99 HD23 LEU 99 10.109 9.299 -7.843 99 H HIS 100 HN HIS 100 10.290 14.669 -11.825 100 HA HIS 100 HA HIS 100 13.063 13.757 -11.590 101 HB2 HIS 100 HB2 HIS 100 11.989 15.402 -13.900 102 HB3 HIS 100 HB1 HIS 100 13.694 15.460 -13.455 103 HD1 HIS 100 HD1 HIS 100 11.408 13.694 -15.617 104 HD2 HIS 100 HD2 HIS 100 14.884 12.735 -13.545 105 HE1 HIS 100 HE1 HIS 100 12.294 11.564 -16.654 106 H LEU 101 HN LEU 101 13.015 14.598 -9.559 107 HA LEU 101 HA LEU 101 14.011 17.232 -9.286 108 HB2 LEU 101 HB2 LEU 101 11.437 17.596 -9.348 109 HB3 LEU 101 HB1 LEU 101 11.356 16.741 -7.828 110 HG LEU 101 HG LEU 101 11.205 19.245 -7.659 111 HD11 LEU 101 HD11 LEU 101 12.621 19.520 -5.713 112 HD12 LEU 101 HD12 LEU 101 13.555 18.090 -6.150 113 HD13 LEU 101 HD13 LEU 101 11.857 17.933 -5.702 114 HD21 LEU 101 HD21 LEU 101 12.770 19.842 -9.444 115 HD22 LEU 101 HD22 LEU 101 14.122 19.225 -8.487 116 HD23 LEU 101 HD23 LEU 101 13.206 20.624 -7.925 117 H PHE 102 HN PHE 102 15.349 17.178 -7.467 118 HA PHE 102 HA PHE 102 14.943 15.070 -5.427 119 HB2 PHE 102 HB2 PHE 102 16.913 14.514 -6.839 120 HB3 PHE 102 HB1 PHE 102 17.624 16.088 -6.493 121 HD1 PHE 102 HD1 PHE 102 16.515 12.893 -4.872 122 HD2 PHE 102 HD2 PHE 102 18.989 16.371 -4.533 123 HE1 PHE 102 HE1 PHE 102 17.599 11.938 -2.878 124 HE2 PHE 102 HE2 PHE 102 20.068 15.403 -2.548 125 HZ PHE 102 HZ PHE 102 19.376 13.186 -1.716 126 H CYS 103 HN CYS 103 14.420 16.016 -3.556 127 HA CYS 103 HA CYS 103 14.938 18.841 -3.117 128 HB2 CYS 103 HB2 CYS 103 12.713 17.797 -2.598 129 HB3 CYS 103 HB1 CYS 103 13.478 16.888 -1.301 130 HG CYS 103 HG CYS 103 13.473 20.309 -1.439 131 H GLU 104 HN GLU 104 16.549 19.613 -1.886 132 HA GLU 104 HA GLU 104 18.675 17.900 -1.031 133 HB2 GLU 104 HB2 GLU 104 18.283 20.898 -0.617 134 HB3 GLU 104 HB1 GLU 104 19.799 20.023 -0.383 135 HG2 GLU 104 HG2 GLU 104 19.949 19.523 -2.758 136 HG3 GLU 104 HG1 GLU 104 18.338 20.176 -3.047 137 H LYS 105 HN LYS 105 16.309 19.963 0.683 138 HA LYS 105 HA LYS 105 17.281 19.451 3.329 139 HB2 LYS 105 HB2 LYS 105 15.303 20.617 4.117 140 HB3 LYS 105 HB1 LYS 105 15.889 21.454 2.684 141 HG2 LYS 105 HG2 LYS 105 14.127 20.427 1.320 142 HG3 LYS 105 HG1 LYS 105 13.576 19.482 2.705 143 HD2 LYS 105 HD2 LYS 105 13.121 21.733 3.868 144 HD3 LYS 105 HD1 LYS 105 13.369 22.484 2.286 145 HE2 LYS 105 HE2 LYS 105 11.251 20.419 3.005 146 HE3 LYS 105 HE1 LYS 105 10.980 22.129 2.669 147 HZ1 LYS 105 HZ1 LYS 105 11.973 20.108 0.731 148 HZ2 LYS 105 HZ2 LYS 105 11.747 21.748 0.401 149 HZ3 LYS 105 HZ3 LYS 105 10.421 20.775 0.770 150 H ASP 106 HN ASP 106 15.060 17.823 1.222 151 HA ASP 106 HA ASP 106 13.745 16.270 3.344 152 HB2 ASP 106 HB2 ASP 106 12.400 17.442 1.614 153 HB3 ASP 106 HB1 ASP 106 13.216 16.526 0.357 154 H GLY 107 HN GLY 107 16.023 15.945 0.727 155 HA2 GLY 107 HA2 GLY 107 17.471 14.309 0.083 156 HA3 GLY 107 HA1 GLY 107 17.158 13.526 1.624 157 H LYS 108 HN LYS 108 14.818 14.206 -0.911 158 HA LYS 108 HA LYS 108 14.527 11.361 -1.614 159 HB2 LYS 108 HB2 LYS 108 12.327 13.169 -0.532 160 HB3 LYS 108 HB1 LYS 108 11.991 11.655 -1.365 161 HG2 LYS 108 HG2 LYS 108 12.880 10.343 0.398 162 HG3 LYS 108 HG1 LYS 108 13.759 11.702 1.098 163 HD2 LYS 108 HD2 LYS 108 11.778 11.058 2.450 164 HD3 LYS 108 HD1 LYS 108 11.697 12.723 1.870 165 HE2 LYS 108 HE2 LYS 108 10.172 11.946 0.023 166 HE3 LYS 108 HE1 LYS 108 10.185 10.334 0.748 167 HZ1 LYS 108 HZ1 LYS 108 8.271 11.606 1.431 168 HZ2 LYS 108 HZ2 LYS 108 9.264 12.821 2.056 169 HZ3 LYS 108 HZ3 LYS 108 9.268 11.283 2.758 170 H ALA 109 HN ALA 109 13.061 11.095 -3.506 171 HA ALA 109 HA ALA 109 13.675 13.144 -5.521 172 HB1 ALA 109 HB1 ALA 109 13.353 11.339 -7.154 173 HB2 ALA 109 HB2 ALA 109 12.823 10.244 -5.874 174 HB3 ALA 109 HB3 ALA 109 14.484 10.840 -5.896 175 H LEU 110 HN LEU 110 12.070 14.635 -5.516 176 HA LEU 110 HA LEU 110 9.224 13.915 -5.534 177 HB2 LEU 110 HB2 LEU 110 10.540 16.662 -5.666 178 HB3 LEU 110 HB1 LEU 110 8.829 16.341 -5.421 179 HG LEU 110 HG LEU 110 11.066 15.681 -3.450 180 HD11 LEU 110 HD11 LEU 110 8.897 17.808 -3.309 181 HD12 LEU 110 HD12 LEU 110 10.621 18.083 -3.572 182 HD13 LEU 110 HD13 LEU 110 10.063 17.433 -2.033 183 HD21 LEU 110 HD21 LEU 110 9.287 13.997 -3.276 184 HD22 LEU 110 HD22 LEU 110 8.064 15.263 -3.138 185 HD23 LEU 110 HD23 LEU 110 9.269 15.052 -1.862 186 H CYS 111 HN CYS 111 7.977 15.548 -7.196 187 HA CYS 111 HA CYS 111 9.214 15.280 -9.892 188 HB2 CYS 111 HB2 CYS 111 7.104 14.829 -10.841 189 HB3 CYS 111 HB1 CYS 111 7.006 13.958 -9.313 190 H TRP 112 HN TRP 112 8.218 16.937 -11.479 191 HA TRP 112 HA TRP 112 8.739 19.583 -10.725 192 HB2 TRP 112 HB2 TRP 112 8.924 19.110 -13.047 193 HB3 TRP 112 HB1 TRP 112 7.347 18.337 -13.116 194 HD1 TRP 112 HD1 TRP 112 8.701 21.968 -12.508 195 HE1 TRP 112 HE1 TRP 112 7.063 23.615 -13.599 196 HE3 TRP 112 HE3 TRP 112 5.225 18.641 -14.251 197 HZ2 TRP 112 HZ2 TRP 112 4.653 23.532 -15.063 198 HZ3 TRP 112 HZ3 TRP 112 3.274 19.508 -15.486 199 HH2 TRP 112 HH2 TRP 112 2.993 21.909 -15.883 200 H VAL 113 HN VAL 113 5.598 17.907 -11.102 201 HA VAL 113 HA VAL 113 3.895 20.106 -10.756 202 HB VAL 113 HB VAL 113 3.254 17.228 -9.932 203 HG11 VAL 113 HG11 VAL 113 1.387 19.506 -10.739 204 HG12 VAL 113 HG12 VAL 113 1.580 18.849 -9.114 205 HG13 VAL 113 HG13 VAL 113 0.888 17.847 -10.388 206 HG21 VAL 113 HG21 VAL 113 4.075 17.277 -12.254 207 HG22 VAL 113 HG22 VAL 113 2.917 18.541 -12.664 208 HG23 VAL 113 HG23 VAL 113 2.346 16.928 -12.226 209 H CYS 114 HN CYS 114 5.365 17.961 -8.329 210 HA CYS 114 HA CYS 114 4.048 19.198 -6.069 211 HB2 CYS 114 HB2 CYS 114 6.283 17.156 -6.187 212 HB3 CYS 114 HB1 CYS 114 5.584 17.752 -4.684 213 H ALA 115 HN ALA 115 7.058 19.651 -7.801 214 HA ALA 115 HA ALA 115 8.487 21.148 -5.839 215 HB1 ALA 115 HB1 ALA 115 9.599 20.099 -7.779 216 HB2 ALA 115 HB2 ALA 115 9.947 21.826 -7.708 217 HB3 ALA 115 HB3 ALA 115 8.768 21.210 -8.870 218 H GLN 116 HN GLN 116 6.176 22.033 -8.390 219 HA GLN 116 HA GLN 116 6.259 24.871 -7.569 220 HB2 GLN 116 HB2 GLN 116 5.268 25.442 -9.683 221 HB3 GLN 116 HB1 GLN 116 6.663 24.414 -9.984 222 HG2 GLN 116 HG2 GLN 116 5.318 22.565 -10.622 223 HG3 GLN 116 HG1 GLN 116 3.866 23.254 -9.892 224 HE21 GLN 116 HE21 GLN 116 2.672 23.102 -11.781 225 HE22 GLN 116 HE22 GLN 116 2.963 24.096 -13.161 226 H SER 117 HN SER 117 4.635 22.281 -6.565 227 HA SER 117 HA SER 117 1.878 22.797 -6.870 228 HB2 SER 117 HB2 SER 117 2.685 20.637 -5.982 229 HB3 SER 117 HB1 SER 117 3.327 21.435 -4.549 230 HG SER 117 HG SER 117 0.854 20.518 -4.988 231 H ARG 118 HN ARG 118 0.397 23.952 -5.590 232 HA ARG 118 HA ARG 118 1.307 26.411 -4.501 233 HB2 ARG 118 HB2 ARG 118 -1.455 25.146 -4.293 234 HB3 ARG 118 HB1 ARG 118 -1.078 26.842 -3.991 235 HG2 ARG 118 HG2 ARG 118 -0.843 25.397 -6.654 236 HG3 ARG 118 HG1 ARG 118 -2.108 26.541 -6.197 237 HD2 ARG 118 HD2 ARG 118 -0.463 28.346 -6.063 238 HD3 ARG 118 HD1 ARG 118 0.849 27.213 -6.420 239 HE ARG 118 HE ARG 118 -1.057 27.072 -8.486 240 HH11 ARG 118 HH11 ARG 118 1.328 29.339 -7.277 241 HH12 ARG 118 HH12 ARG 118 1.586 30.060 -8.829 242 HH21 ARG 118 HH21 ARG 118 -0.712 28.037 -10.499 243 HH22 ARG 118 HH22 ARG 118 0.441 29.326 -10.650 244 H LYS 119 HN LYS 119 1.189 23.368 -3.057 245 HA LYS 119 HA LYS 119 0.632 24.100 -0.353 246 HB2 LYS 119 HB2 LYS 119 0.402 21.767 -1.278 247 HB3 LYS 119 HB1 LYS 119 2.152 21.673 -1.411 248 HG2 LYS 119 HG2 LYS 119 1.386 20.508 0.594 249 HG3 LYS 119 HG1 LYS 119 2.366 21.911 1.039 250 HD2 LYS 119 HD2 LYS 119 0.228 23.200 1.420 251 HD3 LYS 119 HD1 LYS 119 -0.675 21.714 1.114 252 HE2 LYS 119 HE2 LYS 119 0.427 20.658 3.059 253 HE3 LYS 119 HE1 LYS 119 1.335 22.142 3.351 254 HZ1 LYS 119 HZ1 LYS 119 -0.588 21.992 4.789 255 HZ2 LYS 119 HZ2 LYS 119 -1.617 21.862 3.456 256 HZ3 LYS 119 HZ3 LYS 119 -0.761 23.295 3.718 257 H HIS 120 HN HIS 120 3.541 23.960 -2.359 258 HA HIS 120 HA HIS 120 5.188 25.246 -0.275 259 HB2 HIS 120 HB2 HIS 120 5.926 22.638 -1.699 260 HB3 HIS 120 HB1 HIS 120 7.098 23.633 -0.842 261 HD1 HIS 120 HD1 HIS 120 5.116 20.725 -0.294 262 HD2 HIS 120 HD2 HIS 120 6.121 24.028 2.022 263 HE1 HIS 120 HE1 HIS 120 4.768 20.047 2.115 264 H ARG 121 HN ARG 121 7.581 25.468 -1.503 265 HA ARG 121 HA ARG 121 7.257 26.106 -4.368 266 HB2 ARG 121 HB2 ARG 121 8.442 28.015 -2.296 267 HB3 ARG 121 HB1 ARG 121 8.688 28.198 -4.029 268 HG2 ARG 121 HG2 ARG 121 6.258 28.524 -4.341 269 HG3 ARG 121 HG1 ARG 121 6.007 28.328 -2.603 270 HD2 ARG 121 HD2 ARG 121 6.020 30.711 -3.264 271 HD3 ARG 121 HD1 ARG 121 7.342 30.335 -2.152 272 HE ARG 121 HE ARG 121 7.957 30.266 -5.010 273 HH11 ARG 121 HH11 ARG 121 8.152 32.121 -2.036 274 HH12 ARG 121 HH12 ARG 121 9.347 33.205 -2.667 275 HH21 ARG 121 HH21 ARG 121 9.537 31.691 -5.804 276 HH22 ARG 121 HH22 ARG 121 10.132 32.957 -4.778 277 H ASP 122 HN ASP 122 9.619 26.747 -5.179 278 HA ASP 122 HA ASP 122 11.387 24.546 -4.426 279 HB2 ASP 122 HB2 ASP 122 12.621 25.033 -6.476 280 HB3 ASP 122 HB1 ASP 122 10.904 24.935 -6.841 281 H HIS 123 HN HIS 123 13.100 24.809 -3.133 282 HA HIS 123 HA HIS 123 14.736 27.208 -3.208 283 HB2 HIS 123 HB2 HIS 123 13.182 27.830 -1.399 284 HB3 HIS 123 HB1 HIS 123 13.472 26.300 -0.577 285 HD1 HIS 123 HD1 HIS 123 15.419 26.266 1.081 286 HD2 HIS 123 HD2 HIS 123 15.512 29.566 -1.446 287 HE1 HIS 123 HE1 HIS 123 17.300 27.740 1.909 288 H ALA 124 HN ALA 124 14.587 24.638 -0.716 289 HA ALA 124 HA ALA 124 17.321 23.815 -1.340 290 HB1 ALA 124 HB1 ALA 124 15.459 22.868 0.865 291 HB2 ALA 124 HB2 ALA 124 16.687 24.125 1.025 292 HB3 ALA 124 HB3 ALA 124 17.169 22.457 0.704 293 H MET 125 HN MET 125 16.728 23.080 -3.442 294 HA MET 125 HA MET 125 16.285 20.311 -3.705 295 HB2 MET 125 HB2 MET 125 14.136 20.438 -5.057 296 HB3 MET 125 HB1 MET 125 13.951 20.713 -3.336 297 HG2 MET 125 HG2 MET 125 14.239 23.289 -4.277 298 HG3 MET 125 HG1 MET 125 13.351 22.511 -5.588 299 HE1 MET 125 HE1 MET 125 10.889 21.446 -5.284 300 HE2 MET 125 HE2 MET 125 10.109 21.260 -3.714 301 HE3 MET 125 HE3 MET 125 11.559 20.331 -4.091 302 H VAL 126 HN VAL 126 17.350 19.696 -5.448 303 HA VAL 126 HA VAL 126 17.922 21.561 -7.676 304 HB VAL 126 HB VAL 126 19.819 20.040 -8.244 305 HG11 VAL 126 HG11 VAL 126 20.259 21.975 -6.786 306 HG12 VAL 126 HG12 VAL 126 21.309 20.625 -6.359 307 HG13 VAL 126 HG13 VAL 126 19.906 21.001 -5.355 308 HG21 VAL 126 HG21 VAL 126 18.935 17.906 -7.367 309 HG22 VAL 126 HG22 VAL 126 19.079 18.501 -5.713 310 HG23 VAL 126 HG23 VAL 126 20.531 18.232 -6.683 311 HA PRO 127 HA PRO 127 15.364 18.867 -10.278 312 HB2 PRO 127 HB2 PRO 127 16.247 19.515 -12.765 313 HB3 PRO 127 HB1 PRO 127 15.354 20.673 -11.765 314 HG2 PRO 127 HG2 PRO 127 18.338 20.443 -12.188 315 HG3 PRO 127 HG1 PRO 127 17.311 21.894 -12.241 316 HD2 PRO 127 HD2 PRO 127 18.768 21.204 -10.031 317 HD3 PRO 127 HD1 PRO 127 17.221 22.075 -9.919 318 H LEU 128 HN LEU 128 15.456 16.728 -10.943 319 HA LEU 128 HA LEU 128 18.000 15.334 -11.142 320 HB2 LEU 128 HB2 LEU 128 15.123 14.400 -11.480 321 HB3 LEU 128 HB1 LEU 128 16.493 13.336 -11.766 322 HG LEU 128 HG LEU 128 15.831 14.657 -9.097 323 HD11 LEU 128 HD11 LEU 128 15.467 11.768 -9.969 324 HD12 LEU 128 HD12 LEU 128 14.179 12.941 -9.673 325 HD13 LEU 128 HD13 LEU 128 15.200 12.405 -8.341 326 HD21 LEU 128 HD21 LEU 128 17.994 12.631 -9.787 327 HD22 LEU 128 HD22 LEU 128 17.581 13.179 -8.159 328 HD23 LEU 128 HD23 LEU 128 18.244 14.318 -9.328 329 H GLU 129 HN GLU 129 19.032 16.258 -12.908 330 HA GLU 129 HA GLU 129 17.858 15.779 -15.588 331 HB2 GLU 129 HB2 GLU 129 18.624 18.126 -15.019 332 HB3 GLU 129 HB1 GLU 129 20.271 17.511 -14.902 333 HG2 GLU 129 HG2 GLU 129 20.210 16.851 -17.269 334 HG3 GLU 129 HG1 GLU 129 18.535 17.391 -17.394 335 H GLU 130 HN GLU 130 18.241 13.552 -15.388 336 HA GLU 130 HA GLU 130 20.805 12.417 -14.782 337 HB2 GLU 130 HB2 GLU 130 18.365 11.032 -15.994 338 HB3 GLU 130 HB1 GLU 130 19.713 10.263 -15.157 339 HG2 GLU 130 HG2 GLU 130 17.553 12.032 -13.957 340 HG3 GLU 130 HG1 GLU 130 17.788 10.306 -13.696 Start of MODEL 3 1 H GLY 86 HN GLY 86 16.113 -0.230 -14.375 2 HA2 GLY 86 HA2 GLY 86 18.515 0.857 -14.720 3 HA3 GLY 86 HA1 GLY 86 17.493 2.277 -14.982 4 H THR 87 HN THR 87 15.698 2.470 -13.314 5 HA THR 87 HA THR 87 16.672 2.076 -10.555 6 HB THR 87 HB THR 87 14.825 3.683 -9.983 7 HG1 THR 87 HG1 THR 87 14.448 4.291 -12.710 8 HG21 THR 87 HG21 THR 87 16.669 4.736 -12.170 9 HG22 THR 87 HG22 THR 87 17.068 4.628 -10.454 10 HG23 THR 87 HG23 THR 87 15.794 5.721 -10.995 11 H GLN 88 HN GLN 88 14.019 2.118 -9.357 12 HA GLN 88 HA GLN 88 12.968 -0.542 -9.957 13 HB2 GLN 88 HB2 GLN 88 13.218 0.856 -7.609 14 HB3 GLN 88 HB1 GLN 88 11.567 1.296 -8.011 15 HG2 GLN 88 HG2 GLN 88 12.646 -1.518 -7.588 16 HG3 GLN 88 HG1 GLN 88 11.660 -0.586 -6.460 17 HE21 GLN 88 HE21 GLN 88 11.664 -2.469 -9.396 18 HE22 GLN 88 HE22 GLN 88 9.949 -2.638 -9.528 19 H GLY 89 HN GLY 89 12.757 1.826 -11.917 20 HA2 GLY 89 HA2 GLY 89 11.253 2.883 -13.294 21 HA3 GLY 89 HA1 GLY 89 10.084 1.651 -12.826 22 H GLU 90 HN GLU 90 11.812 4.135 -11.000 23 HA GLU 90 HA GLU 90 9.735 4.449 -9.104 24 HB2 GLU 90 HB2 GLU 90 12.285 6.066 -9.509 25 HB3 GLU 90 HB1 GLU 90 11.226 6.184 -8.101 26 HG2 GLU 90 HG2 GLU 90 11.637 3.772 -7.627 27 HG3 GLU 90 HG1 GLU 90 12.755 3.709 -8.987 28 H ARG 91 HN ARG 91 7.943 5.414 -9.450 29 HA ARG 91 HA ARG 91 7.762 7.876 -11.084 30 HB2 ARG 91 HB2 ARG 91 5.827 5.518 -10.852 31 HB3 ARG 91 HB1 ARG 91 5.395 7.054 -11.600 32 HG2 ARG 91 HG2 ARG 91 7.212 6.740 -13.265 33 HG3 ARG 91 HG1 ARG 91 7.579 5.171 -12.545 34 HD2 ARG 91 HD2 ARG 91 5.319 4.367 -13.136 35 HD3 ARG 91 HD1 ARG 91 4.932 5.952 -13.818 36 HE ARG 91 HE ARG 91 6.254 5.509 -15.650 37 HH11 ARG 91 HH11 ARG 91 6.651 2.880 -13.335 38 HH12 ARG 91 HH12 ARG 91 7.503 1.871 -14.460 39 HH21 ARG 91 HH21 ARG 91 7.418 4.210 -17.062 40 HH22 ARG 91 HH22 ARG 91 7.930 2.636 -16.553 41 H CYS 92 HN CYS 92 6.301 9.459 -10.382 42 HA CYS 92 HA CYS 92 5.820 9.766 -7.600 43 HB2 CYS 92 HB2 CYS 92 5.950 11.622 -9.479 44 HB3 CYS 92 HB1 CYS 92 4.216 11.291 -9.705 45 H ALA 93 HN ALA 93 4.508 8.298 -6.601 46 HA ALA 93 HA ALA 93 2.647 6.640 -7.875 47 HB1 ALA 93 HB1 ALA 93 2.852 7.260 -4.911 48 HB2 ALA 93 HB2 ALA 93 3.811 6.058 -5.779 49 HB3 ALA 93 HB3 ALA 93 2.065 5.850 -5.626 50 H VAL 94 HN VAL 94 2.179 9.763 -6.392 51 HA VAL 94 HA VAL 94 -0.544 9.760 -5.782 52 HB VAL 94 HB VAL 94 1.091 12.137 -6.775 53 HG11 VAL 94 HG11 VAL 94 -1.313 12.648 -6.744 54 HG12 VAL 94 HG12 VAL 94 -0.492 13.531 -5.459 55 HG13 VAL 94 HG13 VAL 94 -1.439 12.092 -5.072 56 HG21 VAL 94 HG21 VAL 94 1.604 12.593 -4.398 57 HG22 VAL 94 HG22 VAL 94 2.234 11.024 -4.901 58 HG23 VAL 94 HG23 VAL 94 0.767 11.111 -3.923 59 H HIS 95 HN HIS 95 1.067 10.468 -8.881 60 HA HIS 95 HA HIS 95 -1.549 10.893 -10.216 61 HB2 HIS 95 HB2 HIS 95 1.021 11.451 -11.691 62 HB3 HIS 95 HB1 HIS 95 -0.497 12.317 -11.732 63 HD1 HIS 95 HD1 HIS 95 -0.846 13.535 -9.022 64 HD2 HIS 95 HD2 HIS 95 2.871 13.017 -10.768 65 HE1 HIS 95 HE1 HIS 95 0.750 15.121 -7.840 66 H GLY 96 HN GLY 96 1.406 8.999 -10.192 67 HA2 GLY 96 HA2 GLY 96 1.598 6.738 -10.924 68 HA3 GLY 96 HA1 GLY 96 0.325 7.017 -12.107 69 H GLU 97 HN GLU 97 2.225 9.693 -12.264 70 HA GLU 97 HA GLU 97 3.464 8.929 -14.788 71 HB2 GLU 97 HB2 GLU 97 4.009 11.324 -14.973 72 HB3 GLU 97 HB1 GLU 97 2.324 11.139 -14.483 73 HG2 GLU 97 HG2 GLU 97 2.888 11.630 -12.164 74 HG3 GLU 97 HG1 GLU 97 4.608 11.694 -12.562 75 H ARG 98 HN ARG 98 5.734 9.483 -15.235 76 HA ARG 98 HA ARG 98 7.674 8.531 -13.415 77 HB2 ARG 98 HB2 ARG 98 7.892 8.530 -15.919 78 HB3 ARG 98 HB1 ARG 98 8.067 10.281 -15.886 79 HG2 ARG 98 HG2 ARG 98 10.153 9.967 -14.486 80 HG3 ARG 98 HG1 ARG 98 9.992 8.226 -14.740 81 HD2 ARG 98 HD2 ARG 98 11.605 9.167 -16.323 82 HD3 ARG 98 HD1 ARG 98 10.182 8.583 -17.193 83 HE ARG 98 HE ARG 98 9.645 11.228 -16.744 84 HH11 ARG 98 HH11 ARG 98 12.329 9.601 -18.309 85 HH12 ARG 98 HH12 ARG 98 12.641 10.917 -19.389 86 HH21 ARG 98 HH21 ARG 98 10.098 12.942 -18.132 87 HH22 ARG 98 HH22 ARG 98 11.400 12.820 -19.275 88 H LEU 99 HN LEU 99 9.345 9.727 -12.259 89 HA LEU 99 HA LEU 99 8.747 12.596 -11.782 90 HB2 LEU 99 HB2 LEU 99 9.458 12.341 -9.470 91 HB3 LEU 99 HB1 LEU 99 8.183 11.202 -9.837 92 HG LEU 99 HG LEU 99 10.177 9.465 -10.116 93 HD11 LEU 99 HD11 LEU 99 11.533 11.510 -8.323 94 HD12 LEU 99 HD12 LEU 99 12.056 11.020 -9.937 95 HD13 LEU 99 HD13 LEU 99 12.089 9.858 -8.615 96 HD21 LEU 99 HD21 LEU 99 8.429 9.290 -8.394 97 HD22 LEU 99 HD22 LEU 99 9.323 10.400 -7.354 98 HD23 LEU 99 HD23 LEU 99 10.003 8.821 -7.759 99 H HIS 100 HN HIS 100 10.416 14.033 -11.989 100 HA HIS 100 HA HIS 100 13.182 13.202 -11.559 101 HB2 HIS 100 HB2 HIS 100 12.193 14.417 -14.161 102 HB3 HIS 100 HB1 HIS 100 13.824 14.752 -13.614 103 HD1 HIS 100 HD1 HIS 100 12.190 12.582 -15.863 104 HD2 HIS 100 HD2 HIS 100 15.175 12.083 -13.016 105 HE1 HIS 100 HE1 HIS 100 13.463 10.495 -16.513 106 H LEU 101 HN LEU 101 12.991 14.324 -9.668 107 HA LEU 101 HA LEU 101 14.019 16.964 -9.760 108 HB2 LEU 101 HB2 LEU 101 11.495 17.406 -9.954 109 HB3 LEU 101 HB1 LEU 101 11.287 16.680 -8.378 110 HG LEU 101 HG LEU 101 11.259 19.253 -8.541 111 HD11 LEU 101 HD11 LEU 101 11.386 18.111 -6.389 112 HD12 LEU 101 HD12 LEU 101 12.326 19.596 -6.375 113 HD13 LEU 101 HD13 LEU 101 13.145 18.037 -6.502 114 HD21 LEU 101 HD21 LEU 101 14.266 18.909 -8.777 115 HD22 LEU 101 HD22 LEU 101 13.406 20.429 -8.515 116 HD23 LEU 101 HD23 LEU 101 13.188 19.545 -10.023 117 H PHE 102 HN PHE 102 15.171 17.314 -7.817 118 HA PHE 102 HA PHE 102 14.786 15.378 -5.616 119 HB2 PHE 102 HB2 PHE 102 16.757 14.646 -6.922 120 HB3 PHE 102 HB1 PHE 102 17.476 16.245 -6.770 121 HD1 PHE 102 HD1 PHE 102 19.059 16.567 -5.047 122 HD2 PHE 102 HD2 PHE 102 16.126 13.482 -4.591 123 HE1 PHE 102 HE1 PHE 102 20.126 15.859 -2.948 124 HE2 PHE 102 HE2 PHE 102 17.209 12.777 -2.493 125 HZ PHE 102 HZ PHE 102 19.205 13.963 -1.671 126 H CYS 103 HN CYS 103 13.926 16.673 -4.110 127 HA CYS 103 HA CYS 103 14.885 19.407 -3.701 128 HB2 CYS 103 HB2 CYS 103 12.444 18.915 -3.540 129 HB3 CYS 103 HB1 CYS 103 12.747 17.835 -2.191 130 HG CYS 103 HG CYS 103 13.562 21.150 -2.115 131 H GLU 104 HN GLU 104 16.585 19.729 -2.391 132 HA GLU 104 HA GLU 104 17.832 17.535 -1.010 133 HB2 GLU 104 HB2 GLU 104 18.591 20.481 -1.158 134 HB3 GLU 104 HB1 GLU 104 19.614 19.192 -0.511 135 HG2 GLU 104 HG2 GLU 104 19.556 18.091 -2.771 136 HG3 GLU 104 HG1 GLU 104 18.658 19.477 -3.387 137 H LYS 105 HN LYS 105 16.172 20.519 -0.031 138 HA LYS 105 HA LYS 105 16.586 20.273 2.776 139 HB2 LYS 105 HB2 LYS 105 14.657 21.912 2.965 140 HB3 LYS 105 HB1 LYS 105 15.983 22.437 1.934 141 HG2 LYS 105 HG2 LYS 105 14.751 22.054 -0.059 142 HG3 LYS 105 HG1 LYS 105 13.510 21.126 0.784 143 HD2 LYS 105 HD2 LYS 105 13.980 24.073 1.367 144 HD3 LYS 105 HD1 LYS 105 12.934 23.535 0.053 145 HE2 LYS 105 HE2 LYS 105 11.568 24.035 1.986 146 HE3 LYS 105 HE1 LYS 105 11.532 22.301 1.711 147 HZ1 LYS 105 HZ1 LYS 105 12.974 21.955 3.548 148 HZ2 LYS 105 HZ2 LYS 105 11.752 23.006 4.067 149 HZ3 LYS 105 HZ3 LYS 105 13.291 23.602 3.708 150 H ASP 106 HN ASP 106 14.001 19.154 0.627 151 HA ASP 106 HA ASP 106 12.422 17.947 2.754 152 HB2 ASP 106 HB2 ASP 106 11.351 18.889 0.725 153 HB3 ASP 106 HB1 ASP 106 12.212 17.730 -0.280 154 H GLY 107 HN GLY 107 14.884 17.024 0.496 155 HA2 GLY 107 HA2 GLY 107 16.237 15.225 0.267 156 HA3 GLY 107 HA1 GLY 107 15.718 14.704 1.867 157 H LYS 108 HN LYS 108 13.719 15.168 -0.981 158 HA LYS 108 HA LYS 108 13.288 12.263 -1.296 159 HB2 LYS 108 HB2 LYS 108 11.161 14.443 -1.098 160 HB3 LYS 108 HB1 LYS 108 10.835 12.854 -1.788 161 HG2 LYS 108 HG2 LYS 108 11.313 11.772 0.340 162 HG3 LYS 108 HG1 LYS 108 11.807 13.313 1.047 163 HD2 LYS 108 HD2 LYS 108 9.510 12.638 1.747 164 HD3 LYS 108 HD1 LYS 108 9.530 14.183 0.898 165 HE2 LYS 108 HE2 LYS 108 7.623 12.805 0.176 166 HE3 LYS 108 HE1 LYS 108 8.738 13.061 -1.165 167 HZ1 LYS 108 HZ1 LYS 108 9.622 10.866 -0.839 168 HZ2 LYS 108 HZ2 LYS 108 7.944 10.779 -1.006 169 HZ3 LYS 108 HZ3 LYS 108 8.649 10.624 0.520 170 H ALA 109 HN ALA 109 13.009 11.587 -3.389 171 HA ALA 109 HA ALA 109 13.557 13.388 -5.586 172 HB1 ALA 109 HB1 ALA 109 14.506 11.113 -5.568 173 HB2 ALA 109 HB2 ALA 109 13.454 11.334 -6.966 174 HB3 ALA 109 HB3 ALA 109 12.884 10.417 -5.569 175 H LEU 110 HN LEU 110 11.914 14.754 -5.917 176 HA LEU 110 HA LEU 110 9.111 13.874 -5.928 177 HB2 LEU 110 HB2 LEU 110 10.299 16.668 -6.153 178 HB3 LEU 110 HB1 LEU 110 8.589 16.284 -5.993 179 HG LEU 110 HG LEU 110 10.717 15.773 -3.862 180 HD11 LEU 110 HD11 LEU 110 9.619 17.571 -2.586 181 HD12 LEU 110 HD12 LEU 110 8.526 17.881 -3.939 182 HD13 LEU 110 HD13 LEU 110 10.259 18.168 -4.117 183 HD21 LEU 110 HD21 LEU 110 8.832 15.182 -2.368 184 HD22 LEU 110 HD22 LEU 110 8.933 14.080 -3.739 185 HD23 LEU 110 HD23 LEU 110 7.702 15.345 -3.718 186 H CYS 111 HN CYS 111 7.832 15.299 -7.688 187 HA CYS 111 HA CYS 111 9.144 14.992 -10.336 188 HB2 CYS 111 HB2 CYS 111 7.035 14.489 -11.306 189 HB3 CYS 111 HB1 CYS 111 6.959 13.620 -9.773 190 H TRP 112 HN TRP 112 8.391 16.683 -11.931 191 HA TRP 112 HA TRP 112 8.800 19.307 -11.043 192 HB2 TRP 112 HB2 TRP 112 9.283 18.644 -13.335 193 HB3 TRP 112 HB1 TRP 112 7.599 18.254 -13.633 194 HD1 TRP 112 HD1 TRP 112 9.890 21.344 -13.129 195 HE1 TRP 112 HE1 TRP 112 8.775 23.369 -14.256 196 HE3 TRP 112 HE3 TRP 112 5.421 19.216 -14.411 197 HZ2 TRP 112 HZ2 TRP 112 6.334 23.994 -15.517 198 HZ3 TRP 112 HZ3 TRP 112 3.741 20.596 -15.568 199 HH2 TRP 112 HH2 TRP 112 4.193 22.941 -16.107 200 H VAL 113 HN VAL 113 5.763 17.545 -11.633 201 HA VAL 113 HA VAL 113 3.921 19.670 -11.453 202 HB VAL 113 HB VAL 113 3.535 16.738 -10.677 203 HG11 VAL 113 HG11 VAL 113 1.747 18.110 -9.682 204 HG12 VAL 113 HG12 VAL 113 1.107 17.124 -10.994 205 HG13 VAL 113 HG13 VAL 113 1.411 18.843 -11.254 206 HG21 VAL 113 HG21 VAL 113 4.237 17.024 -13.021 207 HG22 VAL 113 HG22 VAL 113 2.929 18.179 -13.290 208 HG23 VAL 113 HG23 VAL 113 2.556 16.488 -12.940 209 H CYS 114 HN CYS 114 5.245 17.575 -8.861 210 HA CYS 114 HA CYS 114 3.811 18.948 -6.740 211 HB2 CYS 114 HB2 CYS 114 5.987 16.833 -6.607 212 HB3 CYS 114 HB1 CYS 114 5.175 17.499 -5.195 213 H ALA 115 HN ALA 115 6.793 19.401 -8.396 214 HA ALA 115 HA ALA 115 8.172 20.960 -6.400 215 HB1 ALA 115 HB1 ALA 115 9.702 21.538 -8.255 216 HB2 ALA 115 HB2 ALA 115 8.585 20.807 -9.411 217 HB3 ALA 115 HB3 ALA 115 9.387 19.802 -8.205 218 H GLN 116 HN GLN 116 6.114 21.651 -9.209 219 HA GLN 116 HA GLN 116 6.176 24.517 -8.912 220 HB2 GLN 116 HB2 GLN 116 4.391 22.742 -10.633 221 HB3 GLN 116 HB1 GLN 116 4.425 24.506 -10.708 222 HG2 GLN 116 HG2 GLN 116 6.632 22.579 -11.473 223 HG3 GLN 116 HG1 GLN 116 5.706 23.632 -12.536 224 HE21 GLN 116 HE21 GLN 116 6.096 25.915 -12.426 225 HE22 GLN 116 HE22 GLN 116 7.602 26.524 -11.845 226 H SER 117 HN SER 117 4.373 21.918 -7.554 227 HA SER 117 HA SER 117 2.021 23.323 -6.761 228 HB2 SER 117 HB2 SER 117 2.252 20.799 -6.756 229 HB3 SER 117 HB1 SER 117 3.335 20.937 -5.377 230 HG SER 117 HG SER 117 0.723 20.790 -5.336 231 H ARG 118 HN ARG 118 2.078 25.080 -5.503 232 HA ARG 118 HA ARG 118 4.276 25.752 -3.770 233 HB2 ARG 118 HB2 ARG 118 2.894 27.806 -3.245 234 HB3 ARG 118 HB1 ARG 118 3.230 27.566 -4.956 235 HG2 ARG 118 HG2 ARG 118 0.894 26.575 -5.176 236 HG3 ARG 118 HG1 ARG 118 0.591 27.092 -3.516 237 HD2 ARG 118 HD2 ARG 118 -0.311 28.741 -5.087 238 HD3 ARG 118 HD1 ARG 118 1.040 29.452 -4.192 239 HE ARG 118 HE ARG 118 1.995 28.305 -6.588 240 HH11 ARG 118 HH11 ARG 118 0.128 31.098 -5.568 241 HH12 ARG 118 HH12 ARG 118 0.601 32.050 -6.936 242 HH21 ARG 118 HH21 ARG 118 2.598 29.563 -8.359 243 HH22 ARG 118 HH22 ARG 118 1.995 31.181 -8.518 244 H LYS 119 HN LYS 119 4.197 23.856 -2.492 245 HA LYS 119 HA LYS 119 1.996 23.190 -0.774 246 HB2 LYS 119 HB2 LYS 119 4.899 22.259 -0.779 247 HB3 LYS 119 HB1 LYS 119 3.631 21.557 0.222 248 HG2 LYS 119 HG2 LYS 119 3.692 21.545 -2.824 249 HG3 LYS 119 HG1 LYS 119 4.140 20.185 -1.783 250 HD2 LYS 119 HD2 LYS 119 1.378 21.477 -1.911 251 HD3 LYS 119 HD1 LYS 119 1.831 19.972 -2.714 252 HE2 LYS 119 HE2 LYS 119 2.195 18.890 -0.549 253 HE3 LYS 119 HE1 LYS 119 1.900 20.410 0.296 254 HZ1 LYS 119 HZ1 LYS 119 -0.360 20.388 -0.539 255 HZ2 LYS 119 HZ2 LYS 119 -0.025 18.987 0.353 256 HZ3 LYS 119 HZ3 LYS 119 -0.072 18.928 -1.336 257 H HIS 120 HN HIS 120 5.297 24.437 -0.188 258 HA HIS 120 HA HIS 120 4.357 25.944 2.169 259 HB2 HIS 120 HB2 HIS 120 6.855 24.161 2.253 260 HB3 HIS 120 HB1 HIS 120 6.203 25.125 3.575 261 HD1 HIS 120 HD1 HIS 120 5.731 21.875 1.787 262 HD2 HIS 120 HD2 HIS 120 3.891 24.044 4.829 263 HE1 HIS 120 HE1 HIS 120 3.995 20.343 2.803 264 H ARG 121 HN ARG 121 7.602 25.196 0.900 265 HA ARG 121 HA ARG 121 8.103 27.433 -0.677 266 HB2 ARG 121 HB2 ARG 121 7.764 28.801 1.350 267 HB3 ARG 121 HB1 ARG 121 8.923 27.825 2.245 268 HG2 ARG 121 HG2 ARG 121 10.752 28.655 0.828 269 HG3 ARG 121 HG1 ARG 121 9.603 29.583 -0.145 270 HD2 ARG 121 HD2 ARG 121 9.012 30.931 1.829 271 HD3 ARG 121 HD1 ARG 121 10.137 29.992 2.818 272 HE ARG 121 HE ARG 121 11.862 30.834 1.082 273 HH11 ARG 121 HH11 ARG 121 9.145 32.717 2.202 274 HH12 ARG 121 HH12 ARG 121 9.973 34.232 2.073 275 HH21 ARG 121 HH21 ARG 121 12.955 32.828 0.886 276 HH22 ARG 121 HH22 ARG 121 12.127 34.296 1.302 277 H ASP 122 HN ASP 122 9.762 26.657 -1.856 278 HA ASP 122 HA ASP 122 11.644 24.721 -0.725 279 HB2 ASP 122 HB2 ASP 122 10.736 24.244 -2.963 280 HB3 ASP 122 HB1 ASP 122 11.359 25.781 -3.574 281 H HIS 123 HN HIS 123 13.886 24.993 -0.832 282 HA HIS 123 HA HIS 123 15.021 27.706 -1.104 283 HB2 HIS 123 HB2 HIS 123 15.652 25.809 1.213 284 HB3 HIS 123 HB1 HIS 123 16.321 27.421 0.973 285 HD1 HIS 123 HD1 HIS 123 13.532 25.665 2.564 286 HD2 HIS 123 HD2 HIS 123 14.327 29.527 1.268 287 HE1 HIS 123 HE1 HIS 123 11.773 27.137 3.609 288 H ALA 124 HN ALA 124 15.139 24.380 -1.825 289 HA ALA 124 HA ALA 124 17.522 24.498 -3.356 290 HB1 ALA 124 HB1 ALA 124 18.901 22.883 -2.121 291 HB2 ALA 124 HB2 ALA 124 17.711 22.829 -0.816 292 HB3 ALA 124 HB3 ALA 124 18.604 24.317 -1.138 293 H MET 125 HN MET 125 16.222 23.639 -4.976 294 HA MET 125 HA MET 125 15.979 20.701 -4.805 295 HB2 MET 125 HB2 MET 125 14.019 20.722 -6.299 296 HB3 MET 125 HB1 MET 125 13.679 21.559 -4.799 297 HG2 MET 125 HG2 MET 125 13.714 23.690 -5.881 298 HG3 MET 125 HG1 MET 125 14.377 23.001 -7.361 299 HE1 MET 125 HE1 MET 125 11.482 21.293 -5.239 300 HE2 MET 125 HE2 MET 125 10.062 22.077 -5.929 301 HE3 MET 125 HE3 MET 125 11.204 23.014 -4.965 302 H VAL 126 HN VAL 126 17.281 19.761 -6.221 303 HA VAL 126 HA VAL 126 18.230 21.203 -8.611 304 HB VAL 126 HB VAL 126 20.083 19.537 -8.685 305 HG11 VAL 126 HG11 VAL 126 19.821 20.943 -5.995 306 HG12 VAL 126 HG12 VAL 126 20.439 21.652 -7.490 307 HG13 VAL 126 HG13 VAL 126 21.328 20.350 -6.703 308 HG21 VAL 126 HG21 VAL 126 18.920 18.459 -6.077 309 HG22 VAL 126 HG22 VAL 126 20.472 17.985 -6.775 310 HG23 VAL 126 HG23 VAL 126 18.972 17.608 -7.623 311 HA PRO 127 HA PRO 127 15.621 18.442 -11.072 312 HB2 PRO 127 HB2 PRO 127 16.710 18.898 -13.557 313 HB3 PRO 127 HB1 PRO 127 15.667 20.073 -12.730 314 HG2 PRO 127 HG2 PRO 127 18.678 19.992 -12.904 315 HG3 PRO 127 HG1 PRO 127 17.584 21.378 -13.095 316 HD2 PRO 127 HD2 PRO 127 18.928 20.896 -10.777 317 HD3 PRO 127 HD1 PRO 127 17.320 21.653 -10.796 318 H LEU 128 HN LEU 128 15.775 16.273 -11.238 319 HA LEU 128 HA LEU 128 18.282 14.851 -11.430 320 HB2 LEU 128 HB2 LEU 128 15.389 13.906 -11.433 321 HB3 LEU 128 HB1 LEU 128 16.753 12.801 -11.569 322 HG LEU 128 HG LEU 128 16.223 14.630 -9.185 323 HD11 LEU 128 HD11 LEU 128 15.806 11.631 -9.443 324 HD12 LEU 128 HD12 LEU 128 14.540 12.858 -9.327 325 HD13 LEU 128 HD13 LEU 128 15.621 12.582 -7.965 326 HD21 LEU 128 HD21 LEU 128 18.024 13.354 -8.059 327 HD22 LEU 128 HD22 LEU 128 18.634 14.201 -9.475 328 HD23 LEU 128 HD23 LEU 128 18.342 12.462 -9.550 329 H GLU 129 HN GLU 129 19.290 14.508 -13.285 330 HA GLU 129 HA GLU 129 17.793 13.797 -15.730 331 HB2 GLU 129 HB2 GLU 129 18.524 16.176 -15.958 332 HB3 GLU 129 HB1 GLU 129 20.182 15.710 -15.619 333 HG2 GLU 129 HG2 GLU 129 19.851 16.098 -18.007 334 HG3 GLU 129 HG1 GLU 129 20.282 14.415 -17.701 335 H GLU 130 HN GLU 130 18.688 12.062 -16.815 336 HA GLU 130 HA GLU 130 20.680 10.487 -15.447 337 HB2 GLU 130 HB2 GLU 130 18.707 9.439 -16.566 338 HB3 GLU 130 HB1 GLU 130 19.309 9.973 -18.133 339 HG2 GLU 130 HG2 GLU 130 21.395 8.572 -17.694 340 HG3 GLU 130 HG1 GLU 130 20.578 7.940 -16.269 Start of MODEL 4 1 H GLY 86 HN GLY 86 10.117 -3.386 -3.851 2 HA2 GLY 86 HA2 GLY 86 8.963 -4.634 -5.864 3 HA3 GLY 86 HA1 GLY 86 7.570 -3.724 -5.273 4 H THR 87 HN THR 87 9.253 -3.563 -7.798 5 HA THR 87 HA THR 87 10.180 -0.752 -7.644 6 HB THR 87 HB THR 87 11.432 -1.278 -9.760 7 HG1 THR 87 HG1 THR 87 10.064 -3.153 -10.305 8 HG21 THR 87 HG21 THR 87 12.095 -3.069 -7.396 9 HG22 THR 87 HG22 THR 87 12.602 -1.390 -7.597 10 HG23 THR 87 HG23 THR 87 13.212 -2.635 -8.690 11 H GLN 88 HN GLN 88 8.668 0.630 -8.287 12 HA GLN 88 HA GLN 88 6.919 0.035 -10.610 13 HB2 GLN 88 HB2 GLN 88 5.454 1.838 -9.760 14 HB3 GLN 88 HB1 GLN 88 5.703 0.596 -8.537 15 HG2 GLN 88 HG2 GLN 88 7.388 2.050 -7.428 16 HG3 GLN 88 HG1 GLN 88 7.090 3.296 -8.634 17 HE21 GLN 88 HE21 GLN 88 5.738 1.559 -5.915 18 HE22 GLN 88 HE22 GLN 88 4.494 2.702 -5.561 19 H GLY 89 HN GLY 89 9.840 1.264 -10.208 20 HA2 GLY 89 HA2 GLY 89 11.143 2.596 -11.568 21 HA3 GLY 89 HA1 GLY 89 9.699 3.124 -12.428 22 H GLU 90 HN GLU 90 11.457 5.050 -12.024 23 HA GLU 90 HA GLU 90 11.018 6.525 -9.571 24 HB2 GLU 90 HB2 GLU 90 12.362 7.377 -12.164 25 HB3 GLU 90 HB1 GLU 90 12.332 8.341 -10.698 26 HG2 GLU 90 HG2 GLU 90 14.489 7.338 -10.851 27 HG3 GLU 90 HG1 GLU 90 13.636 6.510 -9.547 28 H ARG 91 HN ARG 91 8.740 6.439 -9.694 29 HA ARG 91 HA ARG 91 7.469 8.445 -11.437 30 HB2 ARG 91 HB2 ARG 91 6.354 5.692 -10.671 31 HB3 ARG 91 HB1 ARG 91 5.410 6.956 -11.453 32 HG2 ARG 91 HG2 ARG 91 6.833 6.870 -13.435 33 HG3 ARG 91 HG1 ARG 91 7.897 5.694 -12.658 34 HD2 ARG 91 HD2 ARG 91 6.413 4.578 -14.239 35 HD3 ARG 91 HD1 ARG 91 6.043 4.062 -12.595 36 HE ARG 91 HE ARG 91 4.331 6.195 -13.300 37 HH11 ARG 91 HH11 ARG 91 4.841 2.801 -14.091 38 HH12 ARG 91 HH12 ARG 91 3.181 2.529 -14.507 39 HH21 ARG 91 HH21 ARG 91 2.146 5.791 -13.879 40 HH22 ARG 91 HH22 ARG 91 1.670 4.203 -14.382 41 H CYS 92 HN CYS 92 6.258 9.908 -10.424 42 HA CYS 92 HA CYS 92 6.163 10.149 -7.588 43 HB2 CYS 92 HB2 CYS 92 5.952 12.018 -9.467 44 HB3 CYS 92 HB1 CYS 92 4.221 11.648 -9.396 45 H ALA 93 HN ALA 93 5.100 8.536 -6.515 46 HA ALA 93 HA ALA 93 3.061 6.905 -7.529 47 HB1 ALA 93 HB1 ALA 93 4.556 6.238 -5.695 48 HB2 ALA 93 HB2 ALA 93 2.868 6.029 -5.227 49 HB3 ALA 93 HB3 ALA 93 3.791 7.409 -4.620 50 H VAL 94 HN VAL 94 2.846 10.001 -6.024 51 HA VAL 94 HA VAL 94 0.267 9.956 -4.887 52 HB VAL 94 HB VAL 94 1.829 12.349 -5.944 53 HG11 VAL 94 HG11 VAL 94 -0.438 12.256 -3.907 54 HG12 VAL 94 HG12 VAL 94 -0.525 12.939 -5.532 55 HG13 VAL 94 HG13 VAL 94 0.508 13.691 -4.315 56 HG21 VAL 94 HG21 VAL 94 3.179 11.036 -4.351 57 HG22 VAL 94 HG22 VAL 94 1.877 11.112 -3.159 58 HG23 VAL 94 HG23 VAL 94 2.715 12.587 -3.644 59 H HIS 95 HN HIS 95 1.388 10.828 -8.169 60 HA HIS 95 HA HIS 95 -1.406 11.317 -9.036 61 HB2 HIS 95 HB2 HIS 95 0.887 11.928 -10.891 62 HB3 HIS 95 HB1 HIS 95 -0.635 12.763 -10.693 63 HD1 HIS 95 HD1 HIS 95 -0.515 13.851 -7.852 64 HD2 HIS 95 HD2 HIS 95 2.768 13.621 -10.355 65 HE1 HIS 95 HE1 HIS 95 1.225 15.447 -6.919 66 H GLY 96 HN GLY 96 1.441 9.377 -9.503 67 HA2 GLY 96 HA2 GLY 96 1.485 7.148 -10.303 68 HA3 GLY 96 HA1 GLY 96 0.086 7.493 -11.319 69 H GLU 97 HN GLU 97 1.806 10.174 -11.855 70 HA GLU 97 HA GLU 97 2.941 9.342 -14.391 71 HB2 GLU 97 HB2 GLU 97 3.696 11.719 -14.550 72 HB3 GLU 97 HB1 GLU 97 1.994 11.622 -14.097 73 HG2 GLU 97 HG2 GLU 97 2.427 12.204 -11.843 74 HG3 GLU 97 HG1 GLU 97 4.152 11.873 -11.993 75 H ARG 98 HN ARG 98 5.294 10.225 -14.859 76 HA ARG 98 HA ARG 98 7.250 8.971 -13.195 77 HB2 ARG 98 HB2 ARG 98 7.446 10.885 -15.548 78 HB3 ARG 98 HB1 ARG 98 8.880 10.283 -14.723 79 HG2 ARG 98 HG2 ARG 98 8.345 8.004 -15.325 80 HG3 ARG 98 HG1 ARG 98 6.810 8.504 -16.038 81 HD2 ARG 98 HD2 ARG 98 8.652 8.079 -17.711 82 HD3 ARG 98 HD1 ARG 98 7.920 9.681 -17.818 83 HE ARG 98 HE ARG 98 10.554 9.103 -16.569 84 HH11 ARG 98 HH11 ARG 98 8.437 11.339 -18.261 85 HH12 ARG 98 HH12 ARG 98 9.680 12.521 -18.510 86 HH21 ARG 98 HH21 ARG 98 12.171 10.686 -16.879 87 HH22 ARG 98 HH22 ARG 98 11.785 12.158 -17.717 88 H LEU 99 HN LEU 99 9.335 10.372 -12.692 89 HA LEU 99 HA LEU 99 8.780 13.073 -11.758 90 HB2 LEU 99 HB2 LEU 99 9.444 12.721 -9.454 91 HB3 LEU 99 HB1 LEU 99 8.111 11.668 -9.830 92 HG LEU 99 HG LEU 99 9.883 9.765 -10.026 93 HD11 LEU 99 HD11 LEU 99 11.941 11.075 -10.096 94 HD12 LEU 99 HD12 LEU 99 11.929 10.025 -8.685 95 HD13 LEU 99 HD13 LEU 99 11.597 11.750 -8.499 96 HD21 LEU 99 HD21 LEU 99 8.285 9.904 -8.168 97 HD22 LEU 99 HD22 LEU 99 9.372 10.983 -7.292 98 HD23 LEU 99 HD23 LEU 99 9.853 9.313 -7.614 99 H HIS 100 HN HIS 100 10.597 14.358 -11.810 100 HA HIS 100 HA HIS 100 13.237 13.254 -11.346 101 HB2 HIS 100 HB2 HIS 100 12.475 14.523 -13.999 102 HB3 HIS 100 HB1 HIS 100 14.086 14.815 -13.357 103 HD1 HIS 100 HD1 HIS 100 13.312 13.130 -16.001 104 HD2 HIS 100 HD2 HIS 100 14.533 11.627 -12.325 105 HE1 HIS 100 HE1 HIS 100 14.349 10.876 -16.462 106 H LEU 101 HN LEU 101 13.105 14.344 -9.466 107 HA LEU 101 HA LEU 101 14.216 16.943 -9.388 108 HB2 LEU 101 HB2 LEU 101 11.661 17.412 -9.708 109 HB3 LEU 101 HB1 LEU 101 11.427 16.750 -8.111 110 HG LEU 101 HG LEU 101 11.398 19.270 -8.261 111 HD11 LEU 101 HD11 LEU 101 12.658 19.715 -6.232 112 HD12 LEU 101 HD12 LEU 101 13.508 18.179 -6.390 113 HD13 LEU 101 HD13 LEU 101 11.769 18.201 -6.109 114 HD21 LEU 101 HD21 LEU 101 14.366 19.006 -8.809 115 HD22 LEU 101 HD22 LEU 101 13.502 20.510 -8.474 116 HD23 LEU 101 HD23 LEU 101 13.138 19.592 -9.931 117 H PHE 102 HN PHE 102 15.173 17.232 -7.285 118 HA PHE 102 HA PHE 102 14.593 15.241 -5.196 119 HB2 PHE 102 HB2 PHE 102 16.524 14.393 -6.585 120 HB3 PHE 102 HB1 PHE 102 17.421 15.847 -6.178 121 HD1 PHE 102 HD1 PHE 102 18.444 16.102 -3.954 122 HD2 PHE 102 HD2 PHE 102 16.075 12.649 -4.864 123 HE1 PHE 102 HE1 PHE 102 19.306 14.968 -1.950 124 HE2 PHE 102 HE2 PHE 102 16.948 11.531 -2.853 125 HZ PHE 102 HZ PHE 102 18.566 12.685 -1.395 126 H CYS 103 HN CYS 103 13.955 16.545 -3.590 127 HA CYS 103 HA CYS 103 14.945 19.250 -3.273 128 HB2 CYS 103 HB2 CYS 103 12.583 18.783 -2.820 129 HB3 CYS 103 HB1 CYS 103 13.020 17.610 -1.585 130 HG CYS 103 HG CYS 103 13.655 20.970 -1.394 131 H GLU 104 HN GLU 104 16.229 19.980 -1.583 132 HA GLU 104 HA GLU 104 18.186 18.110 -0.621 133 HB2 GLU 104 HB2 GLU 104 17.958 21.099 -0.062 134 HB3 GLU 104 HB1 GLU 104 19.383 20.088 0.178 135 HG2 GLU 104 HG2 GLU 104 18.099 20.805 -2.486 136 HG3 GLU 104 HG1 GLU 104 19.618 21.434 -1.847 137 H LYS 105 HN LYS 105 15.623 20.081 0.889 138 HA LYS 105 HA LYS 105 16.276 19.214 3.587 139 HB2 LYS 105 HB2 LYS 105 14.168 20.423 4.249 140 HB3 LYS 105 HB1 LYS 105 15.349 21.413 3.402 141 HG2 LYS 105 HG2 LYS 105 14.040 21.275 1.339 142 HG3 LYS 105 HG1 LYS 105 12.866 20.216 2.127 143 HD2 LYS 105 HD2 LYS 105 12.097 22.596 1.957 144 HD3 LYS 105 HD1 LYS 105 12.170 22.005 3.622 145 HE2 LYS 105 HE2 LYS 105 13.071 24.345 3.306 146 HE3 LYS 105 HE1 LYS 105 14.214 23.225 4.041 147 HZ1 LYS 105 HZ1 LYS 105 15.306 22.988 1.910 148 HZ2 LYS 105 HZ2 LYS 105 15.243 24.612 2.360 149 HZ3 LYS 105 HZ3 LYS 105 14.190 24.020 1.182 150 H ASP 106 HN ASP 106 13.666 18.525 1.248 151 HA ASP 106 HA ASP 106 12.257 16.631 2.848 152 HB2 ASP 106 HB2 ASP 106 11.184 17.767 0.943 153 HB3 ASP 106 HB1 ASP 106 12.333 17.049 -0.175 154 H GLY 107 HN GLY 107 14.941 16.435 0.598 155 HA2 GLY 107 HA2 GLY 107 16.614 14.919 0.331 156 HA3 GLY 107 HA1 GLY 107 16.091 14.167 1.826 157 H LYS 108 HN LYS 108 13.736 14.371 -0.682 158 HA LYS 108 HA LYS 108 14.210 11.567 -1.508 159 HB2 LYS 108 HB2 LYS 108 11.524 12.854 -0.828 160 HB3 LYS 108 HB1 LYS 108 11.731 11.234 -1.480 161 HG2 LYS 108 HG2 LYS 108 12.749 10.459 0.566 162 HG3 LYS 108 HG1 LYS 108 12.884 12.105 1.188 163 HD2 LYS 108 HD2 LYS 108 11.030 10.882 2.267 164 HD3 LYS 108 HD1 LYS 108 10.455 12.283 1.361 165 HE2 LYS 108 HE2 LYS 108 9.803 10.765 -0.519 166 HE3 LYS 108 HE1 LYS 108 10.312 9.379 0.446 167 HZ1 LYS 108 HZ1 LYS 108 8.657 10.002 2.090 168 HZ2 LYS 108 HZ2 LYS 108 7.966 9.694 0.580 169 HZ3 LYS 108 HZ3 LYS 108 8.156 11.284 1.116 170 H ALA 109 HN ALA 109 12.850 11.080 -3.474 171 HA ALA 109 HA ALA 109 13.475 12.998 -5.548 172 HB1 ALA 109 HB1 ALA 109 14.073 10.612 -5.763 173 HB2 ALA 109 HB2 ALA 109 13.016 11.136 -7.071 174 HB3 ALA 109 HB3 ALA 109 12.362 10.181 -5.739 175 H LEU 110 HN LEU 110 12.023 14.631 -5.656 176 HA LEU 110 HA LEU 110 9.129 14.169 -5.692 177 HB2 LEU 110 HB2 LEU 110 10.704 16.755 -6.034 178 HB3 LEU 110 HB1 LEU 110 8.961 16.627 -5.862 179 HG LEU 110 HG LEU 110 11.018 15.980 -3.702 180 HD11 LEU 110 HD11 LEU 110 9.027 18.276 -3.880 181 HD12 LEU 110 HD12 LEU 110 10.776 18.395 -4.092 182 HD13 LEU 110 HD13 LEU 110 10.112 17.939 -2.526 183 HD21 LEU 110 HD21 LEU 110 9.084 15.641 -2.196 184 HD22 LEU 110 HD22 LEU 110 9.086 14.476 -3.517 185 HD23 LEU 110 HD23 LEU 110 7.979 15.850 -3.560 186 H CYS 111 HN CYS 111 8.009 15.630 -7.483 187 HA CYS 111 HA CYS 111 9.324 15.285 -10.122 188 HB2 CYS 111 HB2 CYS 111 7.224 14.871 -11.156 189 HB3 CYS 111 HB1 CYS 111 7.105 13.949 -9.658 190 H TRP 112 HN TRP 112 8.710 16.986 -11.693 191 HA TRP 112 HA TRP 112 9.117 19.599 -10.767 192 HB2 TRP 112 HB2 TRP 112 9.661 18.821 -13.059 193 HB3 TRP 112 HB1 TRP 112 7.947 18.691 -13.430 194 HD1 TRP 112 HD1 TRP 112 10.214 21.617 -12.109 195 HE1 TRP 112 HE1 TRP 112 9.645 23.726 -13.465 196 HE3 TRP 112 HE3 TRP 112 6.588 19.695 -15.148 197 HZ2 TRP 112 HZ2 TRP 112 7.908 24.491 -15.542 198 HZ3 TRP 112 HZ3 TRP 112 5.518 21.175 -16.800 199 HH2 TRP 112 HH2 TRP 112 6.164 23.532 -16.995 200 H VAL 113 HN VAL 113 6.073 17.913 -11.496 201 HA VAL 113 HA VAL 113 4.239 20.039 -11.326 202 HB VAL 113 HB VAL 113 3.802 17.141 -10.447 203 HG11 VAL 113 HG11 VAL 113 1.718 19.223 -11.238 204 HG12 VAL 113 HG12 VAL 113 1.990 18.603 -9.609 205 HG13 VAL 113 HG13 VAL 113 1.390 17.526 -10.869 206 HG21 VAL 113 HG21 VAL 113 4.614 17.291 -12.777 207 HG22 VAL 113 HG22 VAL 113 3.313 18.416 -13.170 208 HG23 VAL 113 HG23 VAL 113 2.935 16.750 -12.728 209 H CYS 114 HN CYS 114 5.605 18.003 -8.745 210 HA CYS 114 HA CYS 114 4.216 19.287 -6.570 211 HB2 CYS 114 HB2 CYS 114 6.516 17.306 -6.638 212 HB3 CYS 114 HB1 CYS 114 5.893 17.974 -5.128 213 H ALA 115 HN ALA 115 7.275 19.760 -8.228 214 HA ALA 115 HA ALA 115 8.558 21.436 -6.315 215 HB1 ALA 115 HB1 ALA 115 10.072 22.045 -8.162 216 HB2 ALA 115 HB2 ALA 115 8.968 21.308 -9.329 217 HB3 ALA 115 HB3 ALA 115 9.787 20.304 -8.129 218 H GLN 116 HN GLN 116 6.307 22.074 -8.965 219 HA GLN 116 HA GLN 116 6.391 24.961 -8.790 220 HB2 GLN 116 HB2 GLN 116 4.390 23.100 -10.146 221 HB3 GLN 116 HB1 GLN 116 4.414 24.856 -10.328 222 HG2 GLN 116 HG2 GLN 116 6.592 24.743 -11.423 223 HG3 GLN 116 HG1 GLN 116 6.665 22.999 -11.141 224 HE21 GLN 116 HE21 GLN 116 5.145 25.537 -13.010 225 HE22 GLN 116 HE22 GLN 116 4.438 24.507 -14.201 226 H SER 117 HN SER 117 4.608 22.383 -7.245 227 HA SER 117 HA SER 117 2.244 23.720 -6.511 228 HB2 SER 117 HB2 SER 117 2.527 21.251 -6.422 229 HB3 SER 117 HB1 SER 117 3.638 21.427 -5.065 230 HG SER 117 HG SER 117 0.990 22.432 -5.019 231 H ARG 118 HN ARG 118 2.034 25.435 -5.261 232 HA ARG 118 HA ARG 118 4.009 26.526 -3.555 233 HB2 ARG 118 HB2 ARG 118 1.046 27.150 -3.765 234 HB3 ARG 118 HB1 ARG 118 2.205 28.120 -2.855 235 HG2 ARG 118 HG2 ARG 118 3.445 28.590 -4.953 236 HG3 ARG 118 HG1 ARG 118 2.261 27.635 -5.854 237 HD2 ARG 118 HD2 ARG 118 0.484 29.213 -5.153 238 HD3 ARG 118 HD1 ARG 118 1.688 30.184 -4.297 239 HE ARG 118 HE ARG 118 2.682 30.107 -6.817 240 HH11 ARG 118 HH11 ARG 118 -0.519 30.895 -5.634 241 HH12 ARG 118 HH12 ARG 118 -0.826 32.065 -6.872 242 HH21 ARG 118 HH21 ARG 118 2.260 31.639 -8.439 243 HH22 ARG 118 HH22 ARG 118 0.744 32.483 -8.464 244 H LYS 119 HN LYS 119 1.662 24.095 -3.022 245 HA LYS 119 HA LYS 119 1.097 24.016 -0.338 246 HB2 LYS 119 HB2 LYS 119 0.250 22.417 -1.960 247 HB3 LYS 119 HB1 LYS 119 1.859 21.727 -2.167 248 HG2 LYS 119 HG2 LYS 119 1.849 20.811 0.053 249 HG3 LYS 119 HG1 LYS 119 0.390 21.713 0.485 250 HD2 LYS 119 HD2 LYS 119 -0.917 20.429 -1.097 251 HD3 LYS 119 HD1 LYS 119 0.521 19.563 -1.644 252 HE2 LYS 119 HE2 LYS 119 0.765 18.636 0.677 253 HE3 LYS 119 HE1 LYS 119 -0.761 19.409 1.108 254 HZ1 LYS 119 HZ1 LYS 119 -1.884 18.068 -0.504 255 HZ2 LYS 119 HZ2 LYS 119 -0.990 17.066 0.521 256 HZ3 LYS 119 HZ3 LYS 119 -0.427 17.391 -1.037 257 H HIS 120 HN HIS 120 4.023 22.750 -1.931 258 HA HIS 120 HA HIS 120 5.602 23.114 0.529 259 HB2 HIS 120 HB2 HIS 120 6.804 20.904 -0.053 260 HB3 HIS 120 HB1 HIS 120 5.196 20.765 0.642 261 HD1 HIS 120 HD1 HIS 120 3.318 19.818 -0.869 262 HD2 HIS 120 HD2 HIS 120 7.030 20.011 -2.730 263 HE1 HIS 120 HE1 HIS 120 3.103 18.515 -3.017 264 H ARG 121 HN ARG 121 5.477 24.955 -1.307 265 HA ARG 121 HA ARG 121 7.272 24.958 -3.465 266 HB2 ARG 121 HB2 ARG 121 5.576 26.722 -3.133 267 HB3 ARG 121 HB1 ARG 121 6.390 27.259 -1.667 268 HG2 ARG 121 HG2 ARG 121 8.380 27.902 -3.052 269 HG3 ARG 121 HG1 ARG 121 7.485 27.440 -4.503 270 HD2 ARG 121 HD2 ARG 121 5.788 29.159 -3.998 271 HD3 ARG 121 HD1 ARG 121 6.678 29.605 -2.532 272 HE ARG 121 HE ARG 121 7.853 29.847 -5.247 273 HH11 ARG 121 HH11 ARG 121 7.281 31.218 -2.074 274 HH12 ARG 121 HH12 ARG 121 7.999 32.745 -2.470 275 HH21 ARG 121 HH21 ARG 121 8.837 31.821 -5.743 276 HH22 ARG 121 HH22 ARG 121 8.898 33.078 -4.549 277 H ASP 122 HN ASP 122 9.434 24.829 -3.482 278 HA ASP 122 HA ASP 122 11.040 26.066 -1.383 279 HB2 ASP 122 HB2 ASP 122 10.667 23.732 -0.575 280 HB3 ASP 122 HB1 ASP 122 11.370 23.105 -2.060 281 H HIS 123 HN HIS 123 13.148 26.457 -1.966 282 HA HIS 123 HA HIS 123 13.714 26.590 -4.860 283 HB2 HIS 123 HB2 HIS 123 15.234 28.478 -4.257 284 HB3 HIS 123 HB1 HIS 123 13.575 28.790 -3.764 285 HD1 HIS 123 HD1 HIS 123 17.003 28.570 -2.439 286 HD2 HIS 123 HD2 HIS 123 13.135 28.523 -0.917 287 HE1 HIS 123 HE1 HIS 123 17.212 28.983 0.042 288 H ALA 124 HN ALA 124 14.800 25.370 -1.771 289 HA ALA 124 HA ALA 124 17.480 24.624 -2.601 290 HB1 ALA 124 HB1 ALA 124 17.010 25.255 -0.263 291 HB2 ALA 124 HB2 ALA 124 17.620 23.602 -0.355 292 HB3 ALA 124 HB3 ALA 124 15.895 23.895 -0.105 293 H MET 125 HN MET 125 16.561 23.568 -4.524 294 HA MET 125 HA MET 125 16.371 20.678 -4.129 295 HB2 MET 125 HB2 MET 125 14.462 20.507 -5.753 296 HB3 MET 125 HB1 MET 125 14.016 21.287 -4.245 297 HG2 MET 125 HG2 MET 125 14.047 23.473 -5.319 298 HG3 MET 125 HG1 MET 125 14.635 22.755 -6.819 299 HE1 MET 125 HE1 MET 125 10.415 21.786 -5.136 300 HE2 MET 125 HE2 MET 125 11.587 22.757 -4.246 301 HE3 MET 125 HE3 MET 125 11.878 21.035 -4.504 302 H VAL 126 HN VAL 126 16.862 19.494 -6.078 303 HA VAL 126 HA VAL 126 18.340 20.967 -8.176 304 HB VAL 126 HB VAL 126 20.035 19.173 -8.243 305 HG11 VAL 126 HG11 VAL 126 20.506 21.080 -6.754 306 HG12 VAL 126 HG12 VAL 126 21.213 19.596 -6.109 307 HG13 VAL 126 HG13 VAL 126 19.726 20.241 -5.407 308 HG21 VAL 126 HG21 VAL 126 18.567 17.897 -5.892 309 HG22 VAL 126 HG22 VAL 126 20.106 17.340 -6.559 310 HG23 VAL 126 HG23 VAL 126 18.639 17.259 -7.536 311 HA PRO 127 HA PRO 127 15.823 18.321 -10.909 312 HB2 PRO 127 HB2 PRO 127 17.122 18.671 -13.279 313 HB3 PRO 127 HB1 PRO 127 16.184 19.974 -12.532 314 HG2 PRO 127 HG2 PRO 127 19.174 19.519 -12.490 315 HG3 PRO 127 HG1 PRO 127 18.274 21.027 -12.771 316 HD2 PRO 127 HD2 PRO 127 19.364 20.374 -10.332 317 HD3 PRO 127 HD1 PRO 127 17.917 21.392 -10.502 318 H LEU 128 HN LEU 128 15.865 16.096 -10.980 319 HA LEU 128 HA LEU 128 18.305 14.557 -10.876 320 HB2 LEU 128 HB2 LEU 128 15.388 13.769 -11.087 321 HB3 LEU 128 HB1 LEU 128 16.666 12.570 -11.194 322 HG LEU 128 HG LEU 128 16.133 14.362 -8.793 323 HD11 LEU 128 HD11 LEU 128 15.579 11.400 -9.170 324 HD12 LEU 128 HD12 LEU 128 14.379 12.689 -9.052 325 HD13 LEU 128 HD13 LEU 128 15.386 12.300 -7.660 326 HD21 LEU 128 HD21 LEU 128 17.826 12.984 -7.618 327 HD22 LEU 128 HD22 LEU 128 18.528 13.850 -8.982 328 HD23 LEU 128 HD23 LEU 128 18.178 12.127 -9.123 329 H GLU 129 HN GLU 129 19.475 14.925 -12.728 330 HA GLU 129 HA GLU 129 18.782 13.434 -15.067 331 HB2 GLU 129 HB2 GLU 129 17.461 15.517 -15.508 332 HB3 GLU 129 HB1 GLU 129 18.931 16.481 -15.397 333 HG2 GLU 129 HG2 GLU 129 19.825 15.467 -17.402 334 HG3 GLU 129 HG1 GLU 129 18.533 14.264 -17.439 335 H GLU 130 HN GLU 130 20.689 12.407 -15.150 336 HA GLU 130 HA GLU 130 23.220 13.948 -14.982 337 HB2 GLU 130 HB2 GLU 130 22.716 12.233 -13.138 338 HB3 GLU 130 HB1 GLU 130 22.837 10.979 -14.360 339 HG2 GLU 130 HG2 GLU 130 25.105 12.873 -13.662 340 HG3 GLU 130 HG1 GLU 130 24.867 11.317 -12.876 Start of MODEL 5 1 H GLY 86 HN GLY 86 11.357 -7.070 -12.370 2 HA2 GLY 86 HA2 GLY 86 13.447 -7.649 -13.979 3 HA3 GLY 86 HA1 GLY 86 12.334 -6.847 -15.091 4 H THR 87 HN THR 87 11.405 -4.764 -14.289 5 HA THR 87 HA THR 87 12.752 -3.315 -12.192 6 HB THR 87 HB THR 87 14.334 -2.909 -14.070 7 HG1 THR 87 HG1 THR 87 14.446 -1.132 -12.924 8 HG21 THR 87 HG21 THR 87 11.990 -1.612 -15.524 9 HG22 THR 87 HG22 THR 87 12.812 -3.097 -16.009 10 HG23 THR 87 HG23 THR 87 13.674 -1.558 -16.043 11 H GLN 88 HN GLN 88 11.380 -1.829 -11.306 12 HA GLN 88 HA GLN 88 8.650 -1.688 -12.259 13 HB2 GLN 88 HB2 GLN 88 10.025 -0.340 -9.894 14 HB3 GLN 88 HB1 GLN 88 8.297 -0.243 -10.234 15 HG2 GLN 88 HG2 GLN 88 8.056 -2.647 -9.910 16 HG3 GLN 88 HG1 GLN 88 9.797 -2.819 -9.674 17 HE21 GLN 88 HE21 GLN 88 7.439 -3.385 -7.886 18 HE22 GLN 88 HE22 GLN 88 7.786 -2.543 -6.418 19 H GLY 89 HN GLY 89 10.814 0.963 -11.218 20 HA2 GLY 89 HA2 GLY 89 11.428 2.703 -12.915 21 HA3 GLY 89 HA1 GLY 89 9.730 2.679 -13.390 22 H GLU 90 HN GLU 90 11.272 4.923 -12.358 23 HA GLU 90 HA GLU 90 10.327 5.433 -9.636 24 HB2 GLU 90 HB2 GLU 90 12.002 7.179 -11.504 25 HB3 GLU 90 HB1 GLU 90 11.751 7.457 -9.777 26 HG2 GLU 90 HG2 GLU 90 13.042 5.500 -9.204 27 HG3 GLU 90 HG1 GLU 90 13.120 4.983 -10.888 28 H ARG 91 HN ARG 91 8.106 5.630 -9.916 29 HA ARG 91 HA ARG 91 7.182 8.036 -11.367 30 HB2 ARG 91 HB2 ARG 91 5.771 5.339 -11.124 31 HB3 ARG 91 HB1 ARG 91 4.926 6.811 -11.582 32 HG2 ARG 91 HG2 ARG 91 5.368 5.878 -13.653 33 HG3 ARG 91 HG1 ARG 91 6.717 6.989 -13.466 34 HD2 ARG 91 HD2 ARG 91 7.610 4.975 -14.351 35 HD3 ARG 91 HD1 ARG 91 8.100 5.033 -12.657 36 HE ARG 91 HE ARG 91 6.112 3.516 -12.251 37 HH11 ARG 91 HH11 ARG 91 7.878 3.463 -15.267 38 HH12 ARG 91 HH12 ARG 91 7.461 1.821 -15.624 39 HH21 ARG 91 HH21 ARG 91 5.544 1.388 -12.739 40 HH22 ARG 91 HH22 ARG 91 6.137 0.640 -14.188 41 H CYS 92 HN CYS 92 5.991 9.448 -10.313 42 HA CYS 92 HA CYS 92 5.403 9.342 -7.526 43 HB2 CYS 92 HB2 CYS 92 5.638 11.453 -9.082 44 HB3 CYS 92 HB1 CYS 92 3.950 11.151 -9.522 45 H ALA 93 HN ALA 93 4.033 7.744 -6.824 46 HA ALA 93 HA ALA 93 2.371 6.268 -8.574 47 HB1 ALA 93 HB1 ALA 93 2.497 6.170 -5.551 48 HB2 ALA 93 HB2 ALA 93 3.547 5.282 -6.656 49 HB3 ALA 93 HB3 ALA 93 1.820 4.927 -6.605 50 H VAL 94 HN VAL 94 1.677 9.099 -6.782 51 HA VAL 94 HA VAL 94 -1.124 8.803 -6.419 52 HB VAL 94 HB VAL 94 0.528 11.354 -6.701 53 HG11 VAL 94 HG11 VAL 94 -2.284 11.017 -5.564 54 HG12 VAL 94 HG12 VAL 94 -1.850 11.860 -7.052 55 HG13 VAL 94 HG13 VAL 94 -1.322 12.500 -5.498 56 HG21 VAL 94 HG21 VAL 94 1.317 9.935 -4.850 57 HG22 VAL 94 HG22 VAL 94 -0.314 9.851 -4.183 58 HG23 VAL 94 HG23 VAL 94 0.547 11.393 -4.223 59 H HIS 95 HN HIS 95 0.827 10.195 -9.097 60 HA HIS 95 HA HIS 95 -1.648 10.806 -10.605 61 HB2 HIS 95 HB2 HIS 95 1.060 11.582 -11.679 62 HB3 HIS 95 HB1 HIS 95 -0.471 12.425 -11.802 63 HD1 HIS 95 HD1 HIS 95 -1.005 12.791 -8.687 64 HD2 HIS 95 HD2 HIS 95 2.552 13.493 -10.674 65 HE1 HIS 95 HE1 HIS 95 0.385 14.283 -7.181 66 H GLY 96 HN GLY 96 1.363 8.978 -10.769 67 HA2 GLY 96 HA2 GLY 96 1.689 6.951 -11.981 68 HA3 GLY 96 HA1 GLY 96 0.451 7.444 -13.124 69 H GLU 97 HN GLU 97 2.373 10.136 -12.551 70 HA GLU 97 HA GLU 97 3.814 9.886 -15.070 71 HB2 GLU 97 HB2 GLU 97 4.488 12.191 -14.738 72 HB3 GLU 97 HB1 GLU 97 2.790 12.070 -14.294 73 HG2 GLU 97 HG2 GLU 97 3.393 12.051 -11.903 74 HG3 GLU 97 HG1 GLU 97 5.107 12.131 -12.329 75 H ARG 98 HN ARG 98 6.107 9.953 -15.265 76 HA ARG 98 HA ARG 98 7.675 8.625 -13.280 77 HB2 ARG 98 HB2 ARG 98 8.142 8.404 -15.707 78 HB3 ARG 98 HB1 ARG 98 8.545 10.116 -15.796 79 HG2 ARG 98 HG2 ARG 98 10.497 9.772 -14.360 80 HG3 ARG 98 HG1 ARG 98 10.061 8.073 -14.138 81 HD2 ARG 98 HD2 ARG 98 11.864 8.351 -15.807 82 HD3 ARG 98 HD1 ARG 98 10.415 7.627 -16.512 83 HE ARG 98 HE ARG 98 10.655 10.517 -16.765 84 HH11 ARG 98 HH11 ARG 98 11.202 7.429 -18.362 85 HH12 ARG 98 HH12 ARG 98 11.269 8.140 -19.943 86 HH21 ARG 98 HH21 ARG 98 10.725 11.410 -18.817 87 HH22 ARG 98 HH22 ARG 98 10.991 10.391 -20.197 88 H LEU 99 HN LEU 99 8.586 9.545 -11.516 89 HA LEU 99 HA LEU 99 8.402 12.396 -11.098 90 HB2 LEU 99 HB2 LEU 99 9.112 11.952 -8.814 91 HB3 LEU 99 HB1 LEU 99 7.862 10.825 -9.290 92 HG LEU 99 HG LEU 99 9.898 9.172 -9.709 93 HD11 LEU 99 HD11 LEU 99 11.731 10.741 -9.362 94 HD12 LEU 99 HD12 LEU 99 11.786 9.444 -8.172 95 HD13 LEU 99 HD13 LEU 99 11.194 11.041 -7.708 96 HD21 LEU 99 HD21 LEU 99 8.966 9.835 -6.894 97 HD22 LEU 99 HD22 LEU 99 9.701 8.314 -7.410 98 HD23 LEU 99 HD23 LEU 99 8.132 8.792 -8.048 99 H HIS 100 HN HIS 100 10.017 13.869 -11.237 100 HA HIS 100 HA HIS 100 12.813 13.151 -10.998 101 HB2 HIS 100 HB2 HIS 100 11.582 14.056 -13.597 102 HB3 HIS 100 HB1 HIS 100 13.143 14.726 -13.194 103 HD1 HIS 100 HD1 HIS 100 11.536 11.706 -14.549 104 HD2 HIS 100 HD2 HIS 100 15.244 12.783 -13.026 105 HE1 HIS 100 HE1 HIS 100 13.156 9.914 -15.269 106 H LEU 101 HN LEU 101 12.711 14.357 -9.137 107 HA LEU 101 HA LEU 101 13.669 17.012 -9.397 108 HB2 LEU 101 HB2 LEU 101 11.128 17.403 -9.489 109 HB3 LEU 101 HB1 LEU 101 11.023 16.782 -7.858 110 HG LEU 101 HG LEU 101 10.926 19.319 -8.156 111 HD11 LEU 101 HD11 LEU 101 11.293 18.379 -5.953 112 HD12 LEU 101 HD12 LEU 101 12.200 19.873 -6.152 113 HD13 LEU 101 HD13 LEU 101 13.032 18.323 -6.240 114 HD21 LEU 101 HD21 LEU 101 12.991 20.573 -8.428 115 HD22 LEU 101 HD22 LEU 101 12.660 19.574 -9.842 116 HD23 LEU 101 HD23 LEU 101 13.888 19.072 -8.676 117 H PHE 102 HN PHE 102 14.773 17.603 -7.414 118 HA PHE 102 HA PHE 102 14.500 15.781 -5.118 119 HB2 PHE 102 HB2 PHE 102 16.415 14.973 -6.500 120 HB3 PHE 102 HB1 PHE 102 17.187 16.548 -6.348 121 HD1 PHE 102 HD1 PHE 102 18.268 17.202 -4.200 122 HD2 PHE 102 HD2 PHE 102 16.286 13.425 -4.588 123 HE1 PHE 102 HE1 PHE 102 19.324 16.421 -2.121 124 HE2 PHE 102 HE2 PHE 102 17.362 12.656 -2.508 125 HZ PHE 102 HZ PHE 102 18.880 14.151 -1.275 126 H CYS 103 HN CYS 103 13.815 17.121 -3.565 127 HA CYS 103 HA CYS 103 14.714 19.889 -3.375 128 HB2 CYS 103 HB2 CYS 103 12.346 19.267 -2.841 129 HB3 CYS 103 HB1 CYS 103 12.921 18.310 -1.479 130 HG CYS 103 HG CYS 103 13.142 21.710 -1.822 131 H GLU 104 HN GLU 104 16.141 20.664 -1.789 132 HA GLU 104 HA GLU 104 18.132 18.785 -0.909 133 HB2 GLU 104 HB2 GLU 104 17.945 21.736 -0.153 134 HB3 GLU 104 HB1 GLU 104 19.383 20.711 -0.126 135 HG2 GLU 104 HG2 GLU 104 17.873 21.709 -2.558 136 HG3 GLU 104 HG1 GLU 104 19.480 22.198 -2.020 137 H LYS 105 HN LYS 105 15.962 21.041 0.853 138 HA LYS 105 HA LYS 105 16.605 20.194 3.473 139 HB2 LYS 105 HB2 LYS 105 14.513 21.374 4.170 140 HB3 LYS 105 HB1 LYS 105 15.550 22.336 3.129 141 HG2 LYS 105 HG2 LYS 105 14.100 21.932 1.214 142 HG3 LYS 105 HG1 LYS 105 13.095 20.843 2.168 143 HD2 LYS 105 HD2 LYS 105 11.966 22.985 1.970 144 HD3 LYS 105 HD1 LYS 105 12.456 22.744 3.645 145 HE2 LYS 105 HE2 LYS 105 14.060 24.418 1.683 146 HE3 LYS 105 HE1 LYS 105 12.797 25.092 2.704 147 HZ1 LYS 105 HZ1 LYS 105 15.335 23.838 3.594 148 HZ2 LYS 105 HZ2 LYS 105 14.092 24.282 4.647 149 HZ3 LYS 105 HZ3 LYS 105 14.890 25.461 3.733 150 H ASP 106 HN ASP 106 14.206 19.016 1.197 151 HA ASP 106 HA ASP 106 12.818 17.353 3.140 152 HB2 ASP 106 HB2 ASP 106 11.731 18.506 1.147 153 HB3 ASP 106 HB1 ASP 106 12.576 17.371 0.100 154 H GLY 107 HN GLY 107 15.265 17.041 0.640 155 HA2 GLY 107 HA2 GLY 107 16.763 15.426 0.076 156 HA3 GLY 107 HA1 GLY 107 16.478 14.718 1.660 157 H LYS 108 HN LYS 108 13.914 15.115 -0.674 158 HA LYS 108 HA LYS 108 13.757 12.188 -1.100 159 HB2 LYS 108 HB2 LYS 108 11.493 14.200 -0.704 160 HB3 LYS 108 HB1 LYS 108 11.255 12.524 -1.196 161 HG2 LYS 108 HG2 LYS 108 12.174 11.740 0.938 162 HG3 LYS 108 HG1 LYS 108 12.515 13.402 1.422 163 HD2 LYS 108 HD2 LYS 108 10.467 12.556 2.515 164 HD3 LYS 108 HD1 LYS 108 10.111 13.924 1.461 165 HE2 LYS 108 HE2 LYS 108 8.404 12.161 1.245 166 HE3 LYS 108 HE1 LYS 108 9.273 12.377 -0.274 167 HZ1 LYS 108 HZ1 LYS 108 10.564 10.439 0.182 168 HZ2 LYS 108 HZ2 LYS 108 8.930 10.046 0.343 169 HZ3 LYS 108 HZ3 LYS 108 9.884 10.270 1.719 170 H ALA 109 HN ALA 109 13.020 11.505 -3.108 171 HA ALA 109 HA ALA 109 13.484 13.262 -5.374 172 HB1 ALA 109 HB1 ALA 109 14.383 10.959 -5.355 173 HB2 ALA 109 HB2 ALA 109 13.274 11.197 -6.705 174 HB3 ALA 109 HB3 ALA 109 12.747 10.308 -5.271 175 H LEU 110 HN LEU 110 11.837 14.653 -5.602 176 HA LEU 110 HA LEU 110 9.032 13.837 -5.429 177 HB2 LEU 110 HB2 LEU 110 10.132 16.593 -6.093 178 HB3 LEU 110 HB1 LEU 110 8.520 16.190 -5.521 179 HG LEU 110 HG LEU 110 11.097 16.071 -3.890 180 HD11 LEU 110 HD11 LEU 110 10.310 18.360 -4.227 181 HD12 LEU 110 HD12 LEU 110 10.110 17.880 -2.545 182 HD13 LEU 110 HD13 LEU 110 8.709 17.930 -3.619 183 HD21 LEU 110 HD21 LEU 110 9.631 14.229 -3.201 184 HD22 LEU 110 HD22 LEU 110 8.285 15.349 -2.984 185 HD23 LEU 110 HD23 LEU 110 9.707 15.461 -1.944 186 H CYS 111 HN CYS 111 7.650 15.088 -7.230 187 HA CYS 111 HA CYS 111 8.777 14.522 -9.922 188 HB2 CYS 111 HB2 CYS 111 6.629 13.941 -10.693 189 HB3 CYS 111 HB1 CYS 111 6.608 13.281 -9.059 190 H TRP 112 HN TRP 112 7.460 15.986 -11.608 191 HA TRP 112 HA TRP 112 8.250 18.649 -11.158 192 HB2 TRP 112 HB2 TRP 112 8.073 17.664 -13.414 193 HB3 TRP 112 HB1 TRP 112 6.322 17.553 -13.250 194 HD1 TRP 112 HD1 TRP 112 9.047 20.342 -13.203 195 HE1 TRP 112 HE1 TRP 112 8.058 22.460 -14.272 196 HE3 TRP 112 HE3 TRP 112 4.293 18.681 -14.073 197 HZ2 TRP 112 HZ2 TRP 112 5.603 23.329 -15.336 198 HZ3 TRP 112 HZ3 TRP 112 2.673 20.221 -15.114 199 HH2 TRP 112 HH2 TRP 112 3.319 22.501 -15.733 200 H VAL 113 HN VAL 113 4.947 17.210 -11.176 201 HA VAL 113 HA VAL 113 3.512 19.620 -10.861 202 HB VAL 113 HB VAL 113 2.654 16.774 -10.186 203 HG11 VAL 113 HG11 VAL 113 1.185 18.359 -8.975 204 HG12 VAL 113 HG12 VAL 113 0.303 17.605 -10.301 205 HG13 VAL 113 HG13 VAL 113 0.895 19.258 -10.469 206 HG21 VAL 113 HG21 VAL 113 3.262 17.124 -12.551 207 HG22 VAL 113 HG22 VAL 113 2.164 18.501 -12.650 208 HG23 VAL 113 HG23 VAL 113 1.521 16.877 -12.395 209 H CYS 114 HN CYS 114 4.582 17.273 -8.374 210 HA CYS 114 HA CYS 114 3.346 18.591 -6.149 211 HB2 CYS 114 HB2 CYS 114 5.604 16.560 -6.224 212 HB3 CYS 114 HB1 CYS 114 4.876 17.147 -4.734 213 H ALA 115 HN ALA 115 6.311 19.141 -7.862 214 HA ALA 115 HA ALA 115 7.717 20.461 -5.677 215 HB1 ALA 115 HB1 ALA 115 9.483 20.745 -7.367 216 HB2 ALA 115 HB2 ALA 115 8.392 20.149 -8.619 217 HB3 ALA 115 HB3 ALA 115 8.911 19.078 -7.316 218 H GLN 116 HN GLN 116 6.339 21.356 -8.825 219 HA GLN 116 HA GLN 116 7.001 24.151 -8.533 220 HB2 GLN 116 HB2 GLN 116 5.539 22.701 -10.762 221 HB3 GLN 116 HB1 GLN 116 6.059 24.384 -10.809 222 HG2 GLN 116 HG2 GLN 116 7.807 21.913 -10.726 223 HG3 GLN 116 HG1 GLN 116 7.635 23.062 -12.050 224 HE21 GLN 116 HE21 GLN 116 8.580 25.168 -11.805 225 HE22 GLN 116 HE22 GLN 116 9.878 25.432 -10.694 226 H SER 117 HN SER 117 4.249 22.183 -7.782 227 HA SER 117 HA SER 117 2.466 24.410 -7.360 228 HB2 SER 117 HB2 SER 117 1.640 22.047 -7.444 229 HB3 SER 117 HB1 SER 117 2.525 21.692 -5.962 230 HG SER 117 HG SER 117 0.520 23.696 -6.179 231 H ARG 118 HN ARG 118 3.393 26.037 -6.222 232 HA ARG 118 HA ARG 118 5.694 25.675 -4.626 233 HB2 ARG 118 HB2 ARG 118 5.497 27.661 -5.967 234 HB3 ARG 118 HB1 ARG 118 3.989 28.122 -5.192 235 HG2 ARG 118 HG2 ARG 118 5.106 28.762 -3.162 236 HG3 ARG 118 HG1 ARG 118 6.614 27.995 -3.670 237 HD2 ARG 118 HD2 ARG 118 5.377 30.375 -5.110 238 HD3 ARG 118 HD1 ARG 118 6.586 30.521 -3.829 239 HE ARG 118 HE ARG 118 8.097 29.221 -5.239 240 HH11 ARG 118 HH11 ARG 118 5.451 30.813 -6.894 241 HH12 ARG 118 HH12 ARG 118 6.283 30.830 -8.422 242 HH21 ARG 118 HH21 ARG 118 9.157 29.224 -7.189 243 HH22 ARG 118 HH22 ARG 118 8.395 29.933 -8.581 244 H LYS 119 HN LYS 119 5.489 24.635 -2.775 245 HA LYS 119 HA LYS 119 3.918 25.853 -0.589 246 HB2 LYS 119 HB2 LYS 119 4.603 22.898 -1.062 247 HB3 LYS 119 HB1 LYS 119 3.951 23.514 0.455 248 HG2 LYS 119 HG2 LYS 119 2.545 23.619 -2.241 249 HG3 LYS 119 HG1 LYS 119 2.211 22.447 -0.954 250 HD2 LYS 119 HD2 LYS 119 1.844 25.473 -0.745 251 HD3 LYS 119 HD1 LYS 119 0.547 24.308 -1.014 252 HE2 LYS 119 HE2 LYS 119 2.306 24.415 1.476 253 HE3 LYS 119 HE1 LYS 119 0.675 25.077 1.358 254 HZ1 LYS 119 HZ1 LYS 119 0.740 22.871 2.390 255 HZ2 LYS 119 HZ2 LYS 119 1.363 22.220 0.959 256 HZ3 LYS 119 HZ3 LYS 119 -0.187 22.888 0.973 257 H HIS 120 HN HIS 120 5.262 24.343 1.431 258 HA HIS 120 HA HIS 120 7.713 25.773 1.812 259 HB2 HIS 120 HB2 HIS 120 7.766 24.268 3.963 260 HB3 HIS 120 HB1 HIS 120 6.456 25.433 3.794 261 HD1 HIS 120 HD1 HIS 120 4.067 24.511 3.593 262 HD2 HIS 120 HD2 HIS 120 6.965 21.528 3.678 263 HE1 HIS 120 HE1 HIS 120 2.825 22.319 3.782 264 H ARG 121 HN ARG 121 8.360 24.655 -0.412 265 HA ARG 121 HA ARG 121 10.418 22.655 0.114 266 HB2 ARG 121 HB2 ARG 121 8.210 22.302 -1.967 267 HB3 ARG 121 HB1 ARG 121 9.746 21.453 -2.082 268 HG2 ARG 121 HG2 ARG 121 7.708 21.168 0.149 269 HG3 ARG 121 HG1 ARG 121 8.007 20.013 -1.160 270 HD2 ARG 121 HD2 ARG 121 10.315 19.692 -0.330 271 HD3 ARG 121 HD1 ARG 121 10.003 20.821 0.996 272 HE ARG 121 HE ARG 121 8.975 18.098 0.682 273 HH11 ARG 121 HH11 ARG 121 8.951 21.046 2.613 274 HH12 ARG 121 HH12 ARG 121 8.330 20.245 4.022 275 HH21 ARG 121 HH21 ARG 121 8.229 17.067 2.547 276 HH22 ARG 121 HH22 ARG 121 7.916 17.994 3.981 277 H ASP 122 HN ASP 122 8.826 24.991 -1.992 278 HA ASP 122 HA ASP 122 10.977 25.245 -3.870 279 HB2 ASP 122 HB2 ASP 122 8.573 25.731 -4.434 280 HB3 ASP 122 HB1 ASP 122 8.627 27.141 -3.385 281 H HIS 123 HN HIS 123 12.711 25.537 -2.447 282 HA HIS 123 HA HIS 123 13.333 28.323 -1.786 283 HB2 HIS 123 HB2 HIS 123 13.697 26.036 0.233 284 HB3 HIS 123 HB1 HIS 123 14.359 27.654 0.422 285 HD1 HIS 123 HD1 HIS 123 12.731 29.521 1.187 286 HD2 HIS 123 HD2 HIS 123 10.933 25.793 0.776 287 HE1 HIS 123 HE1 HIS 123 10.477 29.691 2.307 288 H ALA 124 HN ALA 124 14.698 25.065 -1.233 289 HA ALA 124 HA ALA 124 16.811 25.542 -3.247 290 HB1 ALA 124 HB1 ALA 124 18.448 24.416 -1.794 291 HB2 ALA 124 HB2 ALA 124 17.239 24.277 -0.516 292 HB3 ALA 124 HB3 ALA 124 17.812 25.868 -1.015 293 H MET 125 HN MET 125 16.682 24.030 -4.756 294 HA MET 125 HA MET 125 15.932 21.292 -4.355 295 HB2 MET 125 HB2 MET 125 13.775 21.484 -5.744 296 HB3 MET 125 HB1 MET 125 13.683 22.130 -4.113 297 HG2 MET 125 HG2 MET 125 14.093 24.430 -5.093 298 HG3 MET 125 HG1 MET 125 13.904 23.711 -6.689 299 HE1 MET 125 HE1 MET 125 10.137 22.583 -6.584 300 HE2 MET 125 HE2 MET 125 11.525 21.586 -6.153 301 HE3 MET 125 HE3 MET 125 11.608 22.655 -7.555 302 H VAL 126 HN VAL 126 17.239 20.322 -5.776 303 HA VAL 126 HA VAL 126 17.934 21.588 -8.333 304 HB VAL 126 HB VAL 126 19.607 19.810 -8.632 305 HG11 VAL 126 HG11 VAL 126 19.737 20.996 -5.831 306 HG12 VAL 126 HG12 VAL 126 20.274 21.779 -7.319 307 HG13 VAL 126 HG13 VAL 126 21.106 20.337 -6.733 308 HG21 VAL 126 HG21 VAL 126 18.396 17.914 -7.618 309 HG22 VAL 126 HG22 VAL 126 18.580 18.629 -6.016 310 HG23 VAL 126 HG23 VAL 126 20.002 18.071 -6.901 311 HA PRO 127 HA PRO 127 14.939 18.923 -10.481 312 HB2 PRO 127 HB2 PRO 127 15.578 19.562 -13.055 313 HB3 PRO 127 HB1 PRO 127 14.714 20.689 -11.991 314 HG2 PRO 127 HG2 PRO 127 17.650 20.605 -12.679 315 HG3 PRO 127 HG1 PRO 127 16.550 22.002 -12.625 316 HD2 PRO 127 HD2 PRO 127 18.243 21.386 -10.569 317 HD3 PRO 127 HD1 PRO 127 16.677 22.178 -10.311 318 H LEU 128 HN LEU 128 15.307 16.757 -10.427 319 HA LEU 128 HA LEU 128 17.710 15.465 -11.311 320 HB2 LEU 128 HB2 LEU 128 14.916 14.316 -10.922 321 HB3 LEU 128 HB1 LEU 128 16.362 13.356 -11.221 322 HG LEU 128 HG LEU 128 15.837 15.064 -8.757 323 HD11 LEU 128 HD11 LEU 128 14.441 13.060 -8.804 324 HD12 LEU 128 HD12 LEU 128 15.669 12.936 -7.547 325 HD13 LEU 128 HD13 LEU 128 15.864 12.045 -9.060 326 HD21 LEU 128 HD21 LEU 128 18.238 15.040 -9.276 327 HD22 LEU 128 HD22 LEU 128 18.225 13.277 -9.357 328 HD23 LEU 128 HD23 LEU 128 17.905 14.096 -7.829 329 H GLU 129 HN GLU 129 18.303 15.360 -13.433 330 HA GLU 129 HA GLU 129 16.218 15.286 -15.549 331 HB2 GLU 129 HB2 GLU 129 17.277 17.565 -15.285 332 HB3 GLU 129 HB1 GLU 129 18.847 16.860 -15.641 333 HG2 GLU 129 HG2 GLU 129 16.521 16.765 -17.597 334 HG3 GLU 129 HG1 GLU 129 17.626 18.136 -17.512 335 H GLU 130 HN GLU 130 16.350 13.130 -15.998 336 HA GLU 130 HA GLU 130 18.918 12.086 -17.035 337 HB2 GLU 130 HB2 GLU 130 16.965 10.537 -15.253 338 HB3 GLU 130 HB1 GLU 130 18.400 9.865 -16.031 339 HG2 GLU 130 HG2 GLU 130 19.824 11.387 -14.717 340 HG3 GLU 130 HG1 GLU 130 18.398 12.072 -13.940 Start of MODEL 6 1 H GLY 86 HN GLY 86 3.219 -1.027 -7.733 2 HA2 GLY 86 HA2 GLY 86 5.647 -0.219 -6.508 3 HA3 GLY 86 HA1 GLY 86 5.880 -1.795 -7.256 4 H THR 87 HN THR 87 5.427 1.601 -7.798 5 HA THR 87 HA THR 87 5.090 1.580 -10.635 6 HB THR 87 HB THR 87 5.751 4.007 -10.487 7 HG1 THR 87 HG1 THR 87 7.240 3.856 -8.745 8 HG21 THR 87 HG21 THR 87 3.725 3.140 -8.387 9 HG22 THR 87 HG22 THR 87 3.396 3.362 -10.103 10 HG23 THR 87 HG23 THR 87 3.838 4.752 -9.118 11 H GLN 88 HN GLN 88 6.577 0.600 -11.899 12 HA GLN 88 HA GLN 88 9.241 0.049 -11.046 13 HB2 GLN 88 HB2 GLN 88 7.857 -1.508 -12.446 14 HB3 GLN 88 HB1 GLN 88 8.009 -0.398 -13.803 15 HG2 GLN 88 HG2 GLN 88 10.413 -0.766 -13.900 16 HG3 GLN 88 HG1 GLN 88 10.358 -1.756 -12.443 17 HE21 GLN 88 HE21 GLN 88 9.650 -1.645 -15.848 18 HE22 GLN 88 HE22 GLN 88 9.411 -3.338 -16.066 19 H GLY 89 HN GLY 89 10.710 1.618 -10.962 20 HA2 GLY 89 HA2 GLY 89 12.312 3.059 -12.030 21 HA3 GLY 89 HA1 GLY 89 11.082 3.537 -13.197 22 H GLU 90 HN GLU 90 12.360 5.591 -12.062 23 HA GLU 90 HA GLU 90 11.236 6.545 -9.604 24 HB2 GLU 90 HB2 GLU 90 12.716 8.037 -11.813 25 HB3 GLU 90 HB1 GLU 90 12.241 8.764 -10.289 26 HG2 GLU 90 HG2 GLU 90 14.522 8.280 -10.028 27 HG3 GLU 90 HG1 GLU 90 13.706 6.997 -9.146 28 H ARG 91 HN ARG 91 9.021 6.432 -9.764 29 HA ARG 91 HA ARG 91 7.666 8.405 -11.521 30 HB2 ARG 91 HB2 ARG 91 6.417 5.751 -10.683 31 HB3 ARG 91 HB1 ARG 91 5.776 6.930 -11.815 32 HG2 ARG 91 HG2 ARG 91 7.594 6.418 -13.400 33 HG3 ARG 91 HG1 ARG 91 8.240 5.221 -12.273 34 HD2 ARG 91 HD2 ARG 91 6.045 3.997 -12.420 35 HD3 ARG 91 HD1 ARG 91 5.554 5.137 -13.679 36 HE ARG 91 HE ARG 91 8.057 3.722 -14.110 37 HH11 ARG 91 HH11 ARG 91 4.635 3.902 -14.898 38 HH12 ARG 91 HH12 ARG 91 4.777 2.796 -16.226 39 HH21 ARG 91 HH21 ARG 91 8.190 2.248 -15.814 40 HH22 ARG 91 HH22 ARG 91 6.771 1.859 -16.737 41 H CYS 92 HN CYS 92 6.256 9.747 -10.522 42 HA CYS 92 HA CYS 92 6.044 9.815 -7.646 43 HB2 CYS 92 HB2 CYS 92 5.898 11.852 -9.379 44 HB3 CYS 92 HB1 CYS 92 4.183 11.422 -9.462 45 H ALA 93 HN ALA 93 4.946 8.066 -6.818 46 HA ALA 93 HA ALA 93 2.890 6.601 -8.095 47 HB1 ALA 93 HB1 ALA 93 3.612 6.677 -5.143 48 HB2 ALA 93 HB2 ALA 93 4.373 5.652 -6.361 49 HB3 ALA 93 HB3 ALA 93 2.675 5.418 -5.949 50 H VAL 94 HN VAL 94 2.823 9.329 -5.951 51 HA VAL 94 HA VAL 94 0.269 9.390 -4.926 52 HB VAL 94 HB VAL 94 1.957 11.767 -5.852 53 HG11 VAL 94 HG11 VAL 94 -0.347 12.487 -5.437 54 HG12 VAL 94 HG12 VAL 94 0.709 13.101 -4.167 55 HG13 VAL 94 HG13 VAL 94 -0.334 11.714 -3.851 56 HG21 VAL 94 HG21 VAL 94 3.174 10.283 -4.292 57 HG22 VAL 94 HG22 VAL 94 1.850 10.389 -3.131 58 HG23 VAL 94 HG23 VAL 94 2.804 11.823 -3.516 59 H HIS 95 HN HIS 95 1.320 10.469 -8.161 60 HA HIS 95 HA HIS 95 -1.493 11.071 -8.928 61 HB2 HIS 95 HB2 HIS 95 0.857 11.667 -10.748 62 HB3 HIS 95 HB1 HIS 95 -0.689 12.493 -10.626 63 HD1 HIS 95 HD1 HIS 95 -0.582 13.344 -7.614 64 HD2 HIS 95 HD2 HIS 95 2.564 13.573 -10.265 65 HE1 HIS 95 HE1 HIS 95 1.083 14.966 -6.618 66 H GLY 96 HN GLY 96 1.342 9.140 -9.652 67 HA2 GLY 96 HA2 GLY 96 1.470 7.059 -10.746 68 HA3 GLY 96 HA1 GLY 96 -0.117 7.332 -11.472 69 H GLU 97 HN GLU 97 2.217 9.905 -11.539 70 HA GLU 97 HA GLU 97 2.831 9.413 -14.398 71 HB2 GLU 97 HB2 GLU 97 3.478 11.755 -14.523 72 HB3 GLU 97 HB1 GLU 97 1.877 11.658 -13.798 73 HG2 GLU 97 HG2 GLU 97 2.695 12.216 -11.638 74 HG3 GLU 97 HG1 GLU 97 4.365 11.888 -12.088 75 H ARG 98 HN ARG 98 5.157 10.331 -14.909 76 HA ARG 98 HA ARG 98 7.153 8.901 -13.413 77 HB2 ARG 98 HB2 ARG 98 7.074 9.445 -15.982 78 HB3 ARG 98 HB1 ARG 98 7.721 11.014 -15.531 79 HG2 ARG 98 HG2 ARG 98 9.586 9.658 -16.200 80 HG3 ARG 98 HG1 ARG 98 9.664 9.780 -14.439 81 HD2 ARG 98 HD2 ARG 98 8.632 7.569 -14.218 82 HD3 ARG 98 HD1 ARG 98 8.501 7.436 -15.974 83 HE ARG 98 HE ARG 98 11.083 7.636 -14.549 84 HH11 ARG 98 HH11 ARG 98 9.087 6.075 -16.950 85 HH12 ARG 98 HH12 ARG 98 10.369 5.066 -17.535 86 HH21 ARG 98 HH21 ARG 98 12.758 6.266 -15.313 87 HH22 ARG 98 HH22 ARG 98 12.428 5.173 -16.617 88 H LEU 99 HN LEU 99 9.201 10.091 -12.550 89 HA LEU 99 HA LEU 99 8.657 12.860 -11.698 90 HB2 LEU 99 HB2 LEU 99 9.263 12.531 -9.428 91 HB3 LEU 99 HB1 LEU 99 8.106 11.283 -9.812 92 HG LEU 99 HG LEU 99 10.200 9.716 -10.040 93 HD11 LEU 99 HD11 LEU 99 11.960 11.412 -9.978 94 HD12 LEU 99 HD12 LEU 99 12.132 10.285 -8.637 95 HD13 LEU 99 HD13 LEU 99 11.462 11.896 -8.357 96 HD21 LEU 99 HD21 LEU 99 10.158 9.159 -7.663 97 HD22 LEU 99 HD22 LEU 99 8.534 9.499 -8.249 98 HD23 LEU 99 HD23 LEU 99 9.391 10.706 -7.293 99 H HIS 100 HN HIS 100 10.269 14.212 -12.053 100 HA HIS 100 HA HIS 100 13.062 13.354 -11.778 101 HB2 HIS 100 HB2 HIS 100 11.977 14.943 -14.141 102 HB3 HIS 100 HB1 HIS 100 13.679 14.932 -13.711 103 HD1 HIS 100 HD1 HIS 100 15.050 12.867 -14.412 104 HD2 HIS 100 HD2 HIS 100 11.003 12.564 -15.317 105 HE1 HIS 100 HE1 HIS 100 14.818 10.885 -15.955 106 H LEU 101 HN LEU 101 13.030 14.341 -9.800 107 HA LEU 101 HA LEU 101 14.005 16.998 -9.749 108 HB2 LEU 101 HB2 LEU 101 11.468 17.409 -9.769 109 HB3 LEU 101 HB1 LEU 101 11.380 16.599 -8.227 110 HG LEU 101 HG LEU 101 11.312 19.191 -8.282 111 HD11 LEU 101 HD11 LEU 101 13.245 17.887 -6.358 112 HD12 LEU 101 HD12 LEU 101 11.493 17.974 -6.175 113 HD13 LEU 101 HD13 LEU 101 12.455 19.450 -6.144 114 HD21 LEU 101 HD21 LEU 101 14.313 18.868 -8.600 115 HD22 LEU 101 HD22 LEU 101 13.454 20.371 -8.260 116 HD23 LEU 101 HD23 LEU 101 13.208 19.553 -9.800 117 H PHE 102 HN PHE 102 15.030 17.345 -7.612 118 HA PHE 102 HA PHE 102 14.915 15.075 -5.719 119 HB2 PHE 102 HB2 PHE 102 16.935 14.784 -7.140 120 HB3 PHE 102 HB1 PHE 102 17.472 16.406 -6.719 121 HD1 PHE 102 HD1 PHE 102 16.772 13.022 -5.290 122 HD2 PHE 102 HD2 PHE 102 18.744 16.782 -4.688 123 HE1 PHE 102 HE1 PHE 102 17.954 12.103 -3.337 124 HE2 PHE 102 HE2 PHE 102 19.923 15.844 -2.747 125 HZ PHE 102 HZ PHE 102 19.533 13.508 -2.069 126 H CYS 103 HN CYS 103 14.241 15.918 -3.811 127 HA CYS 103 HA CYS 103 14.681 18.748 -3.190 128 HB2 CYS 103 HB2 CYS 103 12.474 17.616 -2.736 129 HB3 CYS 103 HB1 CYS 103 13.268 16.652 -1.495 130 HG CYS 103 HG CYS 103 11.722 18.885 -0.471 131 H GLU 104 HN GLU 104 16.359 19.409 -1.964 132 HA GLU 104 HA GLU 104 18.443 17.560 -1.301 133 HB2 GLU 104 HB2 GLU 104 18.241 20.545 -0.750 134 HB3 GLU 104 HB1 GLU 104 19.717 19.581 -0.699 135 HG2 GLU 104 HG2 GLU 104 19.505 19.109 -3.120 136 HG3 GLU 104 HG1 GLU 104 18.012 20.049 -3.167 137 H LYS 105 HN LYS 105 16.256 19.624 0.593 138 HA LYS 105 HA LYS 105 17.349 18.870 3.154 139 HB2 LYS 105 HB2 LYS 105 15.402 20.129 4.109 140 HB3 LYS 105 HB1 LYS 105 16.385 21.064 2.992 141 HG2 LYS 105 HG2 LYS 105 14.726 20.915 1.262 142 HG3 LYS 105 HG1 LYS 105 13.801 19.715 2.165 143 HD2 LYS 105 HD2 LYS 105 12.708 21.913 2.270 144 HD3 LYS 105 HD1 LYS 105 13.232 21.398 3.870 145 HE2 LYS 105 HE2 LYS 105 14.882 23.288 2.174 146 HE3 LYS 105 HE1 LYS 105 13.601 23.863 3.233 147 HZ1 LYS 105 HZ1 LYS 105 16.035 22.387 4.079 148 HZ2 LYS 105 HZ2 LYS 105 14.781 22.867 5.107 149 HZ3 LYS 105 HZ3 LYS 105 15.716 24.027 4.310 150 H ASP 106 HN ASP 106 14.496 17.913 1.275 151 HA ASP 106 HA ASP 106 13.402 16.180 3.321 152 HB2 ASP 106 HB2 ASP 106 11.951 17.366 1.716 153 HB3 ASP 106 HB1 ASP 106 12.724 16.532 0.374 154 H GLY 107 HN GLY 107 15.423 15.841 0.461 155 HA2 GLY 107 HA2 GLY 107 17.101 14.310 0.116 156 HA3 GLY 107 HA1 GLY 107 16.479 13.307 1.419 157 H LYS 108 HN LYS 108 13.713 13.544 -0.082 158 HA LYS 108 HA LYS 108 14.162 11.213 -1.793 159 HB2 LYS 108 HB2 LYS 108 11.677 12.502 -0.643 160 HB3 LYS 108 HB1 LYS 108 11.531 11.367 -1.978 161 HG2 LYS 108 HG2 LYS 108 12.886 10.721 0.659 162 HG3 LYS 108 HG1 LYS 108 11.202 10.342 0.287 163 HD2 LYS 108 HD2 LYS 108 11.924 8.899 -1.592 164 HD3 LYS 108 HD1 LYS 108 13.613 9.291 -1.265 165 HE2 LYS 108 HE2 LYS 108 11.765 7.861 0.673 166 HE3 LYS 108 HE1 LYS 108 12.937 7.064 -0.376 167 HZ1 LYS 108 HZ1 LYS 108 14.692 8.303 0.724 168 HZ2 LYS 108 HZ2 LYS 108 13.824 7.357 1.817 169 HZ3 LYS 108 HZ3 LYS 108 13.568 9.024 1.754 170 H ALA 109 HN ALA 109 13.796 11.070 -3.896 171 HA ALA 109 HA ALA 109 13.930 13.374 -5.572 172 HB1 ALA 109 HB1 ALA 109 15.022 11.242 -6.154 173 HB2 ALA 109 HB2 ALA 109 13.877 11.727 -7.407 174 HB3 ALA 109 HB3 ALA 109 13.448 10.451 -6.264 175 H LEU 110 HN LEU 110 12.216 14.621 -6.022 176 HA LEU 110 HA LEU 110 9.448 13.602 -5.822 177 HB2 LEU 110 HB2 LEU 110 10.460 16.468 -6.000 178 HB3 LEU 110 HB1 LEU 110 8.798 15.978 -5.723 179 HG LEU 110 HG LEU 110 11.114 15.537 -3.797 180 HD11 LEU 110 HD11 LEU 110 9.984 17.190 -2.353 181 HD12 LEU 110 HD12 LEU 110 8.772 17.464 -3.607 182 HD13 LEU 110 HD13 LEU 110 10.457 17.896 -3.897 183 HD21 LEU 110 HD21 LEU 110 8.169 14.860 -3.435 184 HD22 LEU 110 HD22 LEU 110 9.415 14.732 -2.193 185 HD23 LEU 110 HD23 LEU 110 9.490 13.700 -3.619 186 H CYS 111 HN CYS 111 7.897 14.838 -7.456 187 HA CYS 111 HA CYS 111 9.085 14.866 -10.170 188 HB2 CYS 111 HB2 CYS 111 6.901 14.634 -11.054 189 HB3 CYS 111 HB1 CYS 111 6.860 13.621 -9.614 190 H TRP 112 HN TRP 112 8.366 16.714 -11.616 191 HA TRP 112 HA TRP 112 9.082 19.181 -10.465 192 HB2 TRP 112 HB2 TRP 112 9.482 18.687 -12.846 193 HB3 TRP 112 HB1 TRP 112 7.748 18.652 -13.157 194 HD1 TRP 112 HD1 TRP 112 10.466 21.211 -12.002 195 HE1 TRP 112 HE1 TRP 112 9.719 23.562 -12.729 196 HE3 TRP 112 HE3 TRP 112 5.872 20.060 -13.963 197 HZ2 TRP 112 HZ2 TRP 112 7.504 24.777 -13.966 198 HZ3 TRP 112 HZ3 TRP 112 4.497 21.884 -14.890 199 HH2 TRP 112 HH2 TRP 112 5.297 24.197 -14.892 200 H VAL 113 HN VAL 113 5.881 17.781 -11.178 201 HA VAL 113 HA VAL 113 4.273 20.033 -10.692 202 HB VAL 113 HB VAL 113 3.618 17.079 -10.269 203 HG11 VAL 113 HG11 VAL 113 1.213 17.725 -10.341 204 HG12 VAL 113 HG12 VAL 113 1.678 19.430 -10.356 205 HG13 VAL 113 HG13 VAL 113 2.037 18.430 -8.950 206 HG21 VAL 113 HG21 VAL 113 2.970 18.947 -12.588 207 HG22 VAL 113 HG22 VAL 113 2.501 17.250 -12.471 208 HG23 VAL 113 HG23 VAL 113 4.203 17.683 -12.593 209 H CYS 114 HN CYS 114 5.602 17.648 -8.393 210 HA CYS 114 HA CYS 114 4.329 18.788 -6.067 211 HB2 CYS 114 HB2 CYS 114 6.521 16.715 -6.371 212 HB3 CYS 114 HB1 CYS 114 6.005 17.303 -4.793 213 H ALA 115 HN ALA 115 7.204 19.491 -7.871 214 HA ALA 115 HA ALA 115 8.628 20.964 -5.845 215 HB1 ALA 115 HB1 ALA 115 8.919 21.059 -8.874 216 HB2 ALA 115 HB2 ALA 115 9.792 19.983 -7.784 217 HB3 ALA 115 HB3 ALA 115 10.063 21.724 -7.703 218 H GLN 116 HN GLN 116 6.433 21.801 -8.493 219 HA GLN 116 HA GLN 116 6.487 24.667 -7.827 220 HB2 GLN 116 HB2 GLN 116 5.348 24.983 -10.003 221 HB3 GLN 116 HB1 GLN 116 6.859 24.110 -10.161 222 HG2 GLN 116 HG2 GLN 116 5.518 22.930 -11.636 223 HG3 GLN 116 HG1 GLN 116 5.340 21.966 -10.178 224 HE21 GLN 116 HE21 GLN 116 3.301 21.920 -9.168 225 HE22 GLN 116 HE22 GLN 116 1.876 22.556 -9.904 226 H SER 117 HN SER 117 4.872 22.185 -6.601 227 HA SER 117 HA SER 117 2.137 22.595 -6.965 228 HB2 SER 117 HB2 SER 117 3.144 20.562 -5.920 229 HB3 SER 117 HB1 SER 117 3.517 21.497 -4.474 230 HG SER 117 HG SER 117 0.972 20.897 -5.561 231 H ARG 118 HN ARG 118 0.644 23.904 -6.006 232 HA ARG 118 HA ARG 118 1.505 26.358 -4.828 233 HB2 ARG 118 HB2 ARG 118 -1.384 25.416 -5.055 234 HB3 ARG 118 HB1 ARG 118 -0.796 27.072 -4.994 235 HG2 ARG 118 HG2 ARG 118 -0.521 25.116 -7.295 236 HG3 ARG 118 HG1 ARG 118 -1.513 26.572 -7.251 237 HD2 ARG 118 HD2 ARG 118 0.534 27.963 -7.167 238 HD3 ARG 118 HD1 ARG 118 1.532 26.501 -7.195 239 HE ARG 118 HE ARG 118 -0.304 26.653 -9.405 240 HH11 ARG 118 HH11 ARG 118 2.873 27.763 -8.373 241 HH12 ARG 118 HH12 ARG 118 3.459 27.946 -9.993 242 HH21 ARG 118 HH21 ARG 118 0.503 26.903 -11.506 243 HH22 ARG 118 HH22 ARG 118 2.127 27.469 -11.753 244 H LYS 119 HN LYS 119 2.439 25.881 -2.909 245 HA LYS 119 HA LYS 119 0.875 25.072 -0.581 246 HB2 LYS 119 HB2 LYS 119 1.636 22.910 -1.564 247 HB3 LYS 119 HB1 LYS 119 3.289 23.506 -1.644 248 HG2 LYS 119 HG2 LYS 119 3.142 21.988 0.201 249 HG3 LYS 119 HG1 LYS 119 3.314 23.616 0.863 250 HD2 LYS 119 HD2 LYS 119 0.876 23.689 1.322 251 HD3 LYS 119 HD1 LYS 119 0.698 22.071 0.632 252 HE2 LYS 119 HE2 LYS 119 2.260 21.206 2.401 253 HE3 LYS 119 HE1 LYS 119 2.267 22.815 3.124 254 HZ1 LYS 119 HZ1 LYS 119 -0.092 22.629 3.493 255 HZ2 LYS 119 HZ2 LYS 119 0.707 21.329 4.210 256 HZ3 LYS 119 HZ3 LYS 119 -0.129 21.107 2.760 257 H HIS 120 HN HIS 120 4.143 25.524 -1.858 258 HA HIS 120 HA HIS 120 4.736 27.883 -0.371 259 HB2 HIS 120 HB2 HIS 120 6.740 26.871 0.883 260 HB3 HIS 120 HB1 HIS 120 5.164 26.448 1.528 261 HD1 HIS 120 HD1 HIS 120 5.210 24.091 2.331 262 HD2 HIS 120 HD2 HIS 120 7.443 24.548 -1.149 263 HE1 HIS 120 HE1 HIS 120 6.160 21.819 1.787 264 H ARG 121 HN ARG 121 7.012 28.610 -0.854 265 HA ARG 121 HA ARG 121 7.715 28.182 -3.603 266 HB2 ARG 121 HB2 ARG 121 7.959 30.388 -2.442 267 HB3 ARG 121 HB1 ARG 121 9.203 29.703 -1.407 268 HG2 ARG 121 HG2 ARG 121 10.219 31.062 -3.168 269 HG3 ARG 121 HG1 ARG 121 10.660 29.367 -3.394 270 HD2 ARG 121 HD2 ARG 121 8.853 29.161 -5.112 271 HD3 ARG 121 HD1 ARG 121 8.517 30.887 -4.926 272 HE ARG 121 HE ARG 121 11.256 30.489 -5.523 273 HH11 ARG 121 HH11 ARG 121 8.121 30.386 -7.111 274 HH12 ARG 121 HH12 ARG 121 8.790 30.610 -8.694 275 HH21 ARG 121 HH21 ARG 121 12.103 30.750 -7.621 276 HH22 ARG 121 HH22 ARG 121 11.028 30.815 -8.978 277 H ASP 122 HN ASP 122 9.743 27.290 -4.418 278 HA ASP 122 HA ASP 122 10.711 24.969 -3.126 279 HB2 ASP 122 HB2 ASP 122 12.406 24.853 -4.888 280 HB3 ASP 122 HB1 ASP 122 10.837 25.243 -5.576 281 H HIS 123 HN HIS 123 12.233 24.706 -1.608 282 HA HIS 123 HA HIS 123 13.585 27.094 -0.505 283 HB2 HIS 123 HB2 HIS 123 13.110 24.357 0.754 284 HB3 HIS 123 HB1 HIS 123 13.799 25.760 1.562 285 HD1 HIS 123 HD1 HIS 123 10.624 24.079 0.991 286 HD2 HIS 123 HD2 HIS 123 11.865 27.968 1.785 287 HE1 HIS 123 HE1 HIS 123 8.600 25.307 1.864 288 H ALA 124 HN ALA 124 14.229 23.622 -0.941 289 HA ALA 124 HA ALA 124 16.916 24.124 -1.986 290 HB1 ALA 124 HB1 ALA 124 17.259 23.915 0.454 291 HB2 ALA 124 HB2 ALA 124 17.955 22.537 -0.399 292 HB3 ALA 124 HB3 ALA 124 16.420 22.364 0.454 293 H MET 125 HN MET 125 16.447 23.238 -3.952 294 HA MET 125 HA MET 125 16.195 20.355 -4.121 295 HB2 MET 125 HB2 MET 125 14.243 20.389 -5.671 296 HB3 MET 125 HB1 MET 125 13.826 20.939 -4.058 297 HG2 MET 125 HG2 MET 125 13.782 23.253 -4.809 298 HG3 MET 125 HG1 MET 125 14.327 22.772 -6.417 299 HE1 MET 125 HE1 MET 125 10.194 21.504 -4.741 300 HE2 MET 125 HE2 MET 125 11.411 22.329 -3.764 301 HE3 MET 125 HE3 MET 125 11.676 20.663 -4.293 302 H VAL 126 HN VAL 126 17.321 19.597 -5.790 303 HA VAL 126 HA VAL 126 18.064 21.322 -8.082 304 HB VAL 126 HB VAL 126 20.023 19.795 -8.437 305 HG11 VAL 126 HG11 VAL 126 21.435 20.567 -6.558 306 HG12 VAL 126 HG12 VAL 126 19.988 21.015 -5.651 307 HG13 VAL 126 HG13 VAL 126 20.383 21.855 -7.150 308 HG21 VAL 126 HG21 VAL 126 19.220 18.489 -5.798 309 HG22 VAL 126 HG22 VAL 126 20.707 18.161 -6.691 310 HG23 VAL 126 HG23 VAL 126 19.146 17.733 -7.388 311 HA PRO 127 HA PRO 127 15.738 18.351 -10.636 312 HB2 PRO 127 HB2 PRO 127 17.064 18.589 -13.044 313 HB3 PRO 127 HB1 PRO 127 15.939 19.815 -12.442 314 HG2 PRO 127 HG2 PRO 127 18.954 19.769 -12.263 315 HG3 PRO 127 HG1 PRO 127 17.881 21.104 -12.751 316 HD2 PRO 127 HD2 PRO 127 18.912 20.974 -10.253 317 HD3 PRO 127 HD1 PRO 127 17.268 21.586 -10.539 318 H LEU 128 HN LEU 128 15.915 16.179 -11.300 319 HA LEU 128 HA LEU 128 18.284 14.668 -10.689 320 HB2 LEU 128 HB2 LEU 128 15.688 13.908 -12.101 321 HB3 LEU 128 HB1 LEU 128 17.004 12.767 -11.870 322 HG LEU 128 HG LEU 128 15.409 14.111 -9.654 323 HD11 LEU 128 HD11 LEU 128 14.530 11.860 -9.193 324 HD12 LEU 128 HD12 LEU 128 15.419 11.219 -10.578 325 HD13 LEU 128 HD13 LEU 128 14.120 12.388 -10.824 326 HD21 LEU 128 HD21 LEU 128 17.731 13.760 -8.921 327 HD22 LEU 128 HD22 LEU 128 17.655 12.068 -9.418 328 HD23 LEU 128 HD23 LEU 128 16.646 12.647 -8.092 329 H GLU 129 HN GLU 129 19.908 15.646 -11.907 330 HA GLU 129 HA GLU 129 19.998 14.915 -14.759 331 HB2 GLU 129 HB2 GLU 129 19.384 17.309 -14.651 332 HB3 GLU 129 HB1 GLU 129 20.793 17.643 -13.647 333 HG2 GLU 129 HG2 GLU 129 22.310 17.166 -15.459 334 HG3 GLU 129 HG1 GLU 129 21.012 16.495 -16.449 335 H GLU 130 HN GLU 130 21.290 13.222 -14.334 336 HA GLU 130 HA GLU 130 23.745 13.509 -12.736 337 HB2 GLU 130 HB2 GLU 130 22.293 11.613 -12.226 338 HB3 GLU 130 HB1 GLU 130 22.323 11.067 -13.900 339 HG2 GLU 130 HG2 GLU 130 24.682 10.480 -13.714 340 HG3 GLU 130 HG1 GLU 130 24.767 11.176 -12.094 Start of MODEL 7 1 H GLY 86 HN GLY 86 4.579 -0.940 -14.663 2 HA2 GLY 86 HA2 GLY 86 5.918 1.089 -13.039 3 HA3 GLY 86 HA1 GLY 86 6.150 -0.651 -12.963 4 H THR 87 HN THR 87 6.244 0.486 -16.140 5 HA THR 87 HA THR 87 8.920 -0.319 -16.564 6 HB THR 87 HB THR 87 8.450 0.684 -18.927 7 HG1 THR 87 HG1 THR 87 6.782 2.003 -18.829 8 HG21 THR 87 HG21 THR 87 8.180 -1.740 -18.428 9 HG22 THR 87 HG22 THR 87 6.953 -1.161 -19.559 10 HG23 THR 87 HG23 THR 87 6.537 -1.429 -17.865 11 H GLN 88 HN GLN 88 7.610 2.747 -15.670 12 HA GLN 88 HA GLN 88 9.866 4.331 -16.622 13 HB2 GLN 88 HB2 GLN 88 7.434 5.043 -14.942 14 HB3 GLN 88 HB1 GLN 88 8.677 6.208 -15.392 15 HG2 GLN 88 HG2 GLN 88 8.165 5.806 -17.782 16 HG3 GLN 88 HG1 GLN 88 6.896 4.675 -17.314 17 HE21 GLN 88 HE21 GLN 88 6.798 7.244 -18.821 18 HE22 GLN 88 HE22 GLN 88 5.631 8.212 -17.990 19 H GLY 89 HN GLY 89 9.054 2.598 -13.729 20 HA2 GLY 89 HA2 GLY 89 10.523 2.026 -12.004 21 HA3 GLY 89 HA1 GLY 89 11.628 3.290 -12.513 22 H GLU 90 HN GLU 90 11.771 5.036 -11.165 23 HA GLU 90 HA GLU 90 10.091 5.426 -8.892 24 HB2 GLU 90 HB2 GLU 90 12.073 7.328 -10.208 25 HB3 GLU 90 HB1 GLU 90 11.314 7.610 -8.644 26 HG2 GLU 90 HG2 GLU 90 12.452 5.590 -7.751 27 HG3 GLU 90 HG1 GLU 90 13.218 5.338 -9.317 28 H ARG 91 HN ARG 91 8.081 6.183 -8.931 29 HA ARG 91 HA ARG 91 7.205 8.112 -10.983 30 HB2 ARG 91 HB2 ARG 91 5.764 5.521 -10.230 31 HB3 ARG 91 HB1 ARG 91 5.069 6.798 -11.219 32 HG2 ARG 91 HG2 ARG 91 6.619 6.418 -13.009 33 HG3 ARG 91 HG1 ARG 91 7.626 5.367 -12.006 34 HD2 ARG 91 HD2 ARG 91 4.797 4.756 -12.944 35 HD3 ARG 91 HD1 ARG 91 6.289 4.067 -13.602 36 HE ARG 91 HE ARG 91 6.660 3.189 -11.249 37 HH11 ARG 91 HH11 ARG 91 3.430 3.561 -12.604 38 HH12 ARG 91 HH12 ARG 91 2.732 2.365 -11.560 39 HH21 ARG 91 HH21 ARG 91 5.730 1.612 -9.919 40 HH22 ARG 91 HH22 ARG 91 4.033 1.262 -10.041 41 H CYS 92 HN CYS 92 5.911 9.717 -10.237 42 HA CYS 92 HA CYS 92 5.226 9.958 -7.444 43 HB2 CYS 92 HB2 CYS 92 5.718 11.885 -9.167 44 HB3 CYS 92 HB1 CYS 92 4.015 11.708 -9.621 45 H ALA 93 HN ALA 93 3.644 8.689 -6.611 46 HA ALA 93 HA ALA 93 1.737 7.297 -8.204 47 HB1 ALA 93 HB1 ALA 93 2.726 6.345 -6.172 48 HB2 ALA 93 HB2 ALA 93 0.965 6.345 -6.074 49 HB3 ALA 93 HB3 ALA 93 1.899 7.552 -5.186 50 H VAL 94 HN VAL 94 1.571 10.398 -6.688 51 HA VAL 94 HA VAL 94 -1.235 10.597 -6.232 52 HB VAL 94 HB VAL 94 0.792 12.825 -6.736 53 HG11 VAL 94 HG11 VAL 94 -1.477 13.699 -7.072 54 HG12 VAL 94 HG12 VAL 94 -0.811 14.334 -5.569 55 HG13 VAL 94 HG13 VAL 94 -1.999 13.027 -5.525 56 HG21 VAL 94 HG21 VAL 94 1.391 11.435 -4.796 57 HG22 VAL 94 HG22 VAL 94 -0.216 11.671 -4.106 58 HG23 VAL 94 HG23 VAL 94 0.882 13.044 -4.277 59 H HIS 95 HN HIS 95 0.769 11.153 -9.099 60 HA HIS 95 HA HIS 95 -1.599 12.045 -10.661 61 HB2 HIS 95 HB2 HIS 95 1.203 12.234 -11.788 62 HB3 HIS 95 HB1 HIS 95 -0.188 13.255 -12.095 63 HD1 HIS 95 HD1 HIS 95 -0.779 14.343 -9.248 64 HD2 HIS 95 HD2 HIS 95 3.015 13.869 -10.868 65 HE1 HIS 95 HE1 HIS 95 0.804 15.749 -7.832 66 H GLY 96 HN GLY 96 1.037 9.744 -10.475 67 HA2 GLY 96 HA2 GLY 96 1.207 7.584 -11.353 68 HA3 GLY 96 HA1 GLY 96 -0.147 7.922 -12.432 69 H GLU 97 HN GLU 97 2.566 10.085 -12.075 70 HA GLU 97 HA GLU 97 3.548 9.532 -14.818 71 HB2 GLU 97 HB2 GLU 97 4.531 11.763 -14.759 72 HB3 GLU 97 HB1 GLU 97 2.853 11.904 -14.246 73 HG2 GLU 97 HG2 GLU 97 3.503 12.129 -11.921 74 HG3 GLU 97 HG1 GLU 97 5.183 11.741 -12.311 75 H ARG 98 HN ARG 98 6.003 9.671 -15.060 76 HA ARG 98 HA ARG 98 7.538 8.436 -12.962 77 HB2 ARG 98 HB2 ARG 98 8.119 8.200 -15.399 78 HB3 ARG 98 HB1 ARG 98 8.547 9.908 -15.444 79 HG2 ARG 98 HG2 ARG 98 10.367 9.513 -13.837 80 HG3 ARG 98 HG1 ARG 98 9.907 7.814 -13.710 81 HD2 ARG 98 HD2 ARG 98 11.843 8.016 -15.160 82 HD3 ARG 98 HD1 ARG 98 10.452 7.508 -16.115 83 HE ARG 98 HE ARG 98 10.275 9.989 -16.710 84 HH11 ARG 98 HH11 ARG 98 13.384 8.407 -16.131 85 HH12 ARG 98 HH12 ARG 98 14.257 9.515 -17.139 86 HH21 ARG 98 HH21 ARG 98 11.440 11.403 -18.021 87 HH22 ARG 98 HH22 ARG 98 13.147 11.191 -18.237 88 H LEU 99 HN LEU 99 8.442 9.459 -11.203 89 HA LEU 99 HA LEU 99 8.179 12.324 -10.916 90 HB2 LEU 99 HB2 LEU 99 8.967 12.069 -8.633 91 HB3 LEU 99 HB1 LEU 99 7.771 10.841 -8.982 92 HG LEU 99 HG LEU 99 9.883 9.282 -9.361 93 HD11 LEU 99 HD11 LEU 99 11.119 11.383 -7.564 94 HD12 LEU 99 HD12 LEU 99 11.628 10.966 -9.203 95 HD13 LEU 99 HD13 LEU 99 11.793 9.786 -7.907 96 HD21 LEU 99 HD21 LEU 99 9.847 8.590 -7.007 97 HD22 LEU 99 HD22 LEU 99 8.220 8.910 -7.600 98 HD23 LEU 99 HD23 LEU 99 9.026 10.090 -6.563 99 H HIS 100 HN HIS 100 9.765 13.867 -11.103 100 HA HIS 100 HA HIS 100 12.591 13.140 -11.108 101 HB2 HIS 100 HB2 HIS 100 11.103 13.832 -13.568 102 HB3 HIS 100 HB1 HIS 100 12.435 14.941 -13.308 103 HD1 HIS 100 HD1 HIS 100 13.029 13.624 -15.689 104 HD2 HIS 100 HD2 HIS 100 13.629 11.575 -12.132 105 HE1 HIS 100 HE1 HIS 100 14.720 11.832 -16.188 106 H LEU 101 HN LEU 101 12.700 14.250 -9.199 107 HA LEU 101 HA LEU 101 13.678 16.901 -9.417 108 HB2 LEU 101 HB2 LEU 101 11.107 17.263 -9.206 109 HB3 LEU 101 HB1 LEU 101 11.240 16.644 -7.583 110 HG LEU 101 HG LEU 101 11.027 19.115 -7.708 111 HD11 LEU 101 HD11 LEU 101 12.088 18.128 -5.742 112 HD12 LEU 101 HD12 LEU 101 12.701 19.737 -6.105 113 HD13 LEU 101 HD13 LEU 101 13.672 18.315 -6.496 114 HD21 LEU 101 HD21 LEU 101 12.205 19.522 -9.794 115 HD22 LEU 101 HD22 LEU 101 13.741 19.093 -9.037 116 HD23 LEU 101 HD23 LEU 101 12.859 20.520 -8.494 117 H PHE 102 HN PHE 102 15.125 17.193 -7.627 118 HA PHE 102 HA PHE 102 15.023 15.211 -5.441 119 HB2 PHE 102 HB2 PHE 102 16.866 14.651 -7.054 120 HB3 PHE 102 HB1 PHE 102 17.558 16.247 -6.796 121 HD1 PHE 102 HD1 PHE 102 16.823 12.984 -5.172 122 HD2 PHE 102 HD2 PHE 102 18.920 16.698 -4.838 123 HE1 PHE 102 HE1 PHE 102 18.076 12.108 -3.246 124 HE2 PHE 102 HE2 PHE 102 20.167 15.812 -2.918 125 HZ PHE 102 HZ PHE 102 19.750 13.521 -2.115 126 H CYS 103 HN CYS 103 14.589 16.315 -3.639 127 HA CYS 103 HA CYS 103 15.019 19.186 -3.503 128 HB2 CYS 103 HB2 CYS 103 12.881 18.174 -2.704 129 HB3 CYS 103 HB1 CYS 103 13.770 17.320 -1.445 130 HG CYS 103 HG CYS 103 12.259 19.871 -0.816 131 H GLU 104 HN GLU 104 16.635 20.147 -2.391 132 HA GLU 104 HA GLU 104 18.898 18.568 -1.591 133 HB2 GLU 104 HB2 GLU 104 18.362 21.555 -1.612 134 HB3 GLU 104 HB1 GLU 104 19.899 20.866 -1.093 135 HG2 GLU 104 HG2 GLU 104 18.675 20.486 -3.848 136 HG3 GLU 104 HG1 GLU 104 19.892 21.699 -3.444 137 H LYS 105 HN LYS 105 16.525 20.623 0.108 138 HA LYS 105 HA LYS 105 17.758 20.359 2.698 139 HB2 LYS 105 HB2 LYS 105 15.700 21.445 3.574 140 HB3 LYS 105 HB1 LYS 105 16.403 22.326 2.225 141 HG2 LYS 105 HG2 LYS 105 14.696 21.544 0.719 142 HG3 LYS 105 HG1 LYS 105 14.050 20.440 1.935 143 HD2 LYS 105 HD2 LYS 105 14.092 23.460 2.289 144 HD3 LYS 105 HD1 LYS 105 12.746 22.604 1.547 145 HE2 LYS 105 HE2 LYS 105 12.111 22.946 3.807 146 HE3 LYS 105 HE1 LYS 105 12.581 21.250 3.717 147 HZ1 LYS 105 HZ1 LYS 105 13.438 22.388 5.688 148 HZ2 LYS 105 HZ2 LYS 105 14.323 23.443 4.707 149 HZ3 LYS 105 HZ3 LYS 105 14.683 21.792 4.718 150 H ASP 106 HN ASP 106 15.130 18.740 1.011 151 HA ASP 106 HA ASP 106 14.283 17.117 3.261 152 HB2 ASP 106 HB2 ASP 106 12.648 17.908 1.638 153 HB3 ASP 106 HB1 ASP 106 13.537 17.172 0.314 154 H GLY 107 HN GLY 107 16.359 16.795 0.462 155 HA2 GLY 107 HA2 GLY 107 18.034 15.332 -0.037 156 HA3 GLY 107 HA1 GLY 107 17.819 14.602 1.545 157 H LYS 108 HN LYS 108 14.924 14.598 -0.223 158 HA LYS 108 HA LYS 108 15.341 11.819 -1.179 159 HB2 LYS 108 HB2 LYS 108 12.782 13.096 -0.121 160 HB3 LYS 108 HB1 LYS 108 12.926 11.452 -0.738 161 HG2 LYS 108 HG2 LYS 108 14.357 10.826 1.128 162 HG3 LYS 108 HG1 LYS 108 14.410 12.495 1.696 163 HD2 LYS 108 HD2 LYS 108 12.864 11.157 3.060 164 HD3 LYS 108 HD1 LYS 108 12.001 12.431 2.196 165 HE2 LYS 108 HE2 LYS 108 10.728 10.329 2.158 166 HE3 LYS 108 HE1 LYS 108 11.226 10.773 0.528 167 HZ1 LYS 108 HZ1 LYS 108 13.014 9.159 0.668 168 HZ2 LYS 108 HZ2 LYS 108 11.529 8.413 0.963 169 HZ3 LYS 108 HZ3 LYS 108 12.571 8.755 2.250 170 H ALA 109 HN ALA 109 13.265 11.395 -2.790 171 HA ALA 109 HA ALA 109 13.810 13.234 -5.042 172 HB1 ALA 109 HB1 ALA 109 14.565 10.909 -5.291 173 HB2 ALA 109 HB2 ALA 109 13.325 11.302 -6.482 174 HB3 ALA 109 HB3 ALA 109 12.911 10.333 -5.062 175 H LEU 110 HN LEU 110 12.221 14.709 -5.266 176 HA LEU 110 HA LEU 110 9.374 14.002 -5.036 177 HB2 LEU 110 HB2 LEU 110 10.667 16.701 -5.641 178 HB3 LEU 110 HB1 LEU 110 8.958 16.419 -5.344 179 HG LEU 110 HG LEU 110 11.191 16.079 -3.293 180 HD11 LEU 110 HD11 LEU 110 10.769 18.435 -3.762 181 HD12 LEU 110 HD12 LEU 110 10.170 18.022 -2.159 182 HD13 LEU 110 HD13 LEU 110 9.037 18.213 -3.501 183 HD21 LEU 110 HD21 LEU 110 8.190 15.735 -2.955 184 HD22 LEU 110 HD22 LEU 110 9.380 15.716 -1.649 185 HD23 LEU 110 HD23 LEU 110 9.406 14.459 -2.880 186 H CYS 111 HN CYS 111 8.016 15.233 -6.907 187 HA CYS 111 HA CYS 111 9.364 14.869 -9.540 188 HB2 CYS 111 HB2 CYS 111 7.341 14.333 -10.549 189 HB3 CYS 111 HB1 CYS 111 7.009 13.704 -8.939 190 H TRP 112 HN TRP 112 9.168 16.626 -11.064 191 HA TRP 112 HA TRP 112 9.581 19.157 -9.932 192 HB2 TRP 112 HB2 TRP 112 10.527 18.421 -12.102 193 HB3 TRP 112 HB1 TRP 112 8.923 18.478 -12.824 194 HD1 TRP 112 HD1 TRP 112 10.942 21.122 -10.753 195 HE1 TRP 112 HE1 TRP 112 10.916 23.337 -12.053 196 HE3 TRP 112 HE3 TRP 112 8.298 19.629 -14.867 197 HZ2 TRP 112 HZ2 TRP 112 9.925 24.332 -14.496 198 HZ3 TRP 112 HZ3 TRP 112 7.856 21.275 -16.645 199 HH2 TRP 112 HH2 TRP 112 8.653 23.582 -16.465 200 H VAL 113 HN VAL 113 6.629 17.696 -11.149 201 HA VAL 113 HA VAL 113 4.958 19.959 -11.351 202 HB VAL 113 HB VAL 113 4.211 17.103 -10.564 203 HG11 VAL 113 HG11 VAL 113 1.942 17.639 -11.405 204 HG12 VAL 113 HG12 VAL 113 2.430 19.317 -11.653 205 HG13 VAL 113 HG13 VAL 113 2.378 18.646 -10.021 206 HG21 VAL 113 HG21 VAL 113 3.709 16.796 -12.970 207 HG22 VAL 113 HG22 VAL 113 5.407 17.185 -12.705 208 HG23 VAL 113 HG23 VAL 113 4.302 18.426 -13.303 209 H CYS 114 HN CYS 114 5.741 17.891 -8.549 210 HA CYS 114 HA CYS 114 4.013 19.309 -6.719 211 HB2 CYS 114 HB2 CYS 114 6.112 17.166 -6.269 212 HB3 CYS 114 HB1 CYS 114 5.241 17.925 -4.942 213 H ALA 115 HN ALA 115 7.262 19.762 -7.882 214 HA ALA 115 HA ALA 115 8.085 21.652 -5.852 215 HB1 ALA 115 HB1 ALA 115 9.127 21.233 -8.681 216 HB2 ALA 115 HB2 ALA 115 9.743 20.451 -7.226 217 HB3 ALA 115 HB3 ALA 115 9.914 22.195 -7.422 218 H GLN 116 HN GLN 116 6.468 21.811 -9.001 219 HA GLN 116 HA GLN 116 6.304 24.718 -9.044 220 HB2 GLN 116 HB2 GLN 116 5.058 22.664 -10.918 221 HB3 GLN 116 HB1 GLN 116 5.069 24.408 -11.173 222 HG2 GLN 116 HG2 GLN 116 7.452 22.535 -11.191 223 HG3 GLN 116 HG1 GLN 116 6.760 23.390 -12.562 224 HE21 GLN 116 HE21 GLN 116 7.116 25.659 -12.738 225 HE22 GLN 116 HE22 GLN 116 8.425 26.428 -11.914 226 H SER 117 HN SER 117 4.587 22.289 -7.514 227 HA SER 117 HA SER 117 1.981 23.476 -7.387 228 HB2 SER 117 HB2 SER 117 2.343 21.088 -6.826 229 HB3 SER 117 HB1 SER 117 3.381 21.542 -5.474 230 HG SER 117 HG SER 117 0.604 21.657 -5.735 231 H ARG 118 HN ARG 118 1.123 24.740 -5.663 232 HA ARG 118 HA ARG 118 2.930 26.522 -4.293 233 HB2 ARG 118 HB2 ARG 118 0.630 27.174 -5.118 234 HB3 ARG 118 HB1 ARG 118 -0.067 26.145 -3.870 235 HG2 ARG 118 HG2 ARG 118 1.067 27.588 -2.139 236 HG3 ARG 118 HG1 ARG 118 1.592 28.660 -3.441 237 HD2 ARG 118 HD2 ARG 118 -0.734 29.153 -4.010 238 HD3 ARG 118 HD1 ARG 118 -1.300 27.987 -2.805 239 HE ARG 118 HE ARG 118 0.244 30.412 -2.056 240 HH11 ARG 118 HH11 ARG 118 -2.544 28.313 -1.547 241 HH12 ARG 118 HH12 ARG 118 -3.169 29.269 -0.241 242 HH21 ARG 118 HH21 ARG 118 -0.605 31.655 -0.349 243 HH22 ARG 118 HH22 ARG 118 -2.064 31.147 0.442 244 H LYS 119 HN LYS 119 1.327 23.514 -3.598 245 HA LYS 119 HA LYS 119 1.307 23.462 -0.787 246 HB2 LYS 119 HB2 LYS 119 1.497 21.184 -2.775 247 HB3 LYS 119 HB1 LYS 119 1.299 20.960 -1.035 248 HG2 LYS 119 HG2 LYS 119 -0.823 22.401 -1.255 249 HG3 LYS 119 HG1 LYS 119 -0.659 22.170 -3.006 250 HD2 LYS 119 HD2 LYS 119 -0.741 19.728 -2.686 251 HD3 LYS 119 HD1 LYS 119 -0.848 19.957 -0.938 252 HE2 LYS 119 HE2 LYS 119 -2.923 20.885 -2.954 253 HE3 LYS 119 HE1 LYS 119 -3.043 19.432 -1.962 254 HZ1 LYS 119 HZ1 LYS 119 -2.871 22.198 -0.900 255 HZ2 LYS 119 HZ2 LYS 119 -3.075 20.789 0.010 256 HZ3 LYS 119 HZ3 LYS 119 -4.295 21.299 -1.045 257 H HIS 120 HN HIS 120 3.187 24.164 0.152 258 HA HIS 120 HA HIS 120 5.077 23.873 1.342 259 HB2 HIS 120 HB2 HIS 120 5.069 20.959 0.462 260 HB3 HIS 120 HB1 HIS 120 5.735 21.630 1.947 261 HD1 HIS 120 HD1 HIS 120 2.650 20.220 0.510 262 HD2 HIS 120 HD2 HIS 120 3.695 22.453 3.861 263 HE1 HIS 120 HE1 HIS 120 0.641 20.180 2.030 264 H ARG 121 HN ARG 121 5.267 24.642 -1.476 265 HA ARG 121 HA ARG 121 7.455 23.475 -2.813 266 HB2 ARG 121 HB2 ARG 121 7.542 25.633 -4.123 267 HB3 ARG 121 HB1 ARG 121 5.963 24.860 -4.067 268 HG2 ARG 121 HG2 ARG 121 5.200 26.467 -2.378 269 HG3 ARG 121 HG1 ARG 121 6.798 27.224 -2.352 270 HD2 ARG 121 HD2 ARG 121 6.534 27.956 -4.655 271 HD3 ARG 121 HD1 ARG 121 5.011 27.071 -4.804 272 HE ARG 121 HE ARG 121 5.037 29.061 -2.696 273 HH11 ARG 121 HH11 ARG 121 4.308 28.466 -6.088 274 HH12 ARG 121 HH12 ARG 121 3.246 29.833 -6.216 275 HH21 ARG 121 HH21 ARG 121 3.628 30.833 -2.873 276 HH22 ARG 121 HH22 ARG 121 2.873 31.185 -4.395 277 H ASP 122 HN ASP 122 9.581 23.603 -2.541 278 HA ASP 122 HA ASP 122 10.629 25.102 -0.255 279 HB2 ASP 122 HB2 ASP 122 11.930 22.892 -1.907 280 HB3 ASP 122 HB1 ASP 122 12.534 23.539 -0.383 281 H HIS 123 HN HIS 123 13.215 25.429 -0.758 282 HA HIS 123 HA HIS 123 13.380 27.305 -3.054 283 HB2 HIS 123 HB2 HIS 123 13.573 28.519 -0.951 284 HB3 HIS 123 HB1 HIS 123 14.738 27.364 -0.315 285 HD1 HIS 123 HD1 HIS 123 17.201 27.750 -0.894 286 HD2 HIS 123 HD2 HIS 123 14.642 30.306 -2.946 287 HE1 HIS 123 HE1 HIS 123 18.669 29.450 -2.040 288 H ALA 124 HN ALA 124 15.480 25.342 -0.933 289 HA ALA 124 HA ALA 124 17.395 24.797 -3.035 290 HB1 ALA 124 HB1 ALA 124 18.598 23.536 -1.285 291 HB2 ALA 124 HB2 ALA 124 17.240 23.760 -0.179 292 HB3 ALA 124 HB3 ALA 124 18.166 25.157 -0.732 293 H MET 125 HN MET 125 16.199 23.713 -4.566 294 HA MET 125 HA MET 125 15.906 20.858 -4.204 295 HB2 MET 125 HB2 MET 125 13.534 20.760 -4.881 296 HB3 MET 125 HB1 MET 125 13.711 21.681 -3.402 297 HG2 MET 125 HG2 MET 125 13.650 23.766 -4.926 298 HG3 MET 125 HG1 MET 125 13.016 22.675 -6.156 299 HE1 MET 125 HE1 MET 125 9.818 21.367 -3.935 300 HE2 MET 125 HE2 MET 125 11.446 20.815 -3.550 301 HE3 MET 125 HE3 MET 125 10.912 20.874 -5.232 302 H VAL 126 HN VAL 126 16.998 20.076 -5.900 303 HA VAL 126 HA VAL 126 17.292 21.672 -8.366 304 HB VAL 126 HB VAL 126 19.267 20.257 -8.877 305 HG11 VAL 126 HG11 VAL 126 20.745 21.038 -7.054 306 HG12 VAL 126 HG12 VAL 126 19.334 21.385 -6.051 307 HG13 VAL 126 HG13 VAL 126 19.602 22.293 -7.540 308 HG21 VAL 126 HG21 VAL 126 18.554 18.131 -7.857 309 HG22 VAL 126 HG22 VAL 126 18.677 18.836 -6.244 310 HG23 VAL 126 HG23 VAL 126 20.130 18.612 -7.222 311 HA PRO 127 HA PRO 127 14.664 18.765 -10.670 312 HB2 PRO 127 HB2 PRO 127 15.384 19.431 -13.238 313 HB3 PRO 127 HB1 PRO 127 14.340 20.449 -12.231 314 HG2 PRO 127 HG2 PRO 127 17.314 20.670 -12.714 315 HG3 PRO 127 HG1 PRO 127 16.075 21.948 -12.774 316 HD2 PRO 127 HD2 PRO 127 17.644 21.622 -10.600 317 HD3 PRO 127 HD1 PRO 127 15.938 22.096 -10.433 318 H LEU 128 HN LEU 128 15.081 16.624 -10.701 319 HA LEU 128 HA LEU 128 17.473 15.365 -11.674 320 HB2 LEU 128 HB2 LEU 128 14.676 14.304 -11.121 321 HB3 LEU 128 HB1 LEU 128 15.967 13.271 -11.716 322 HG LEU 128 HG LEU 128 16.042 14.767 -9.062 323 HD11 LEU 128 HD11 LEU 128 15.474 11.827 -9.573 324 HD12 LEU 128 HD12 LEU 128 14.306 13.029 -9.024 325 HD13 LEU 128 HD13 LEU 128 15.663 12.587 -7.991 326 HD21 LEU 128 HD21 LEU 128 17.920 12.663 -10.204 327 HD22 LEU 128 HD22 LEU 128 17.992 13.322 -8.567 328 HD23 LEU 128 HD23 LEU 128 18.288 14.373 -9.947 329 H GLU 129 HN GLU 129 18.023 15.153 -13.762 330 HA GLU 129 HA GLU 129 15.969 14.842 -15.859 331 HB2 GLU 129 HB2 GLU 129 18.400 16.682 -16.090 332 HB3 GLU 129 HB1 GLU 129 17.249 16.327 -17.378 333 HG2 GLU 129 HG2 GLU 129 15.465 17.360 -15.804 334 HG3 GLU 129 HG1 GLU 129 16.823 17.972 -14.866 335 H GLU 130 HN GLU 130 16.712 12.616 -15.227 336 HA GLU 130 HA GLU 130 19.070 11.778 -16.825 337 HB2 GLU 130 HB2 GLU 130 17.903 10.418 -14.349 338 HB3 GLU 130 HB1 GLU 130 19.272 9.835 -15.295 339 HG2 GLU 130 HG2 GLU 130 20.543 11.873 -14.674 340 HG3 GLU 130 HG1 GLU 130 19.183 12.422 -13.701 Start of MODEL 8 1 H GLY 86 HN GLY 86 4.522 -0.711 -8.929 2 HA2 GLY 86 HA2 GLY 86 4.047 1.206 -7.653 3 HA3 GLY 86 HA1 GLY 86 3.351 0.202 -6.390 4 H THR 87 HN THR 87 5.400 -1.636 -5.975 5 HA THR 87 HA THR 87 7.195 -0.219 -4.302 6 HB THR 87 HB THR 87 8.313 -2.499 -4.034 7 HG1 THR 87 HG1 THR 87 7.900 -3.523 -5.944 8 HG21 THR 87 HG21 THR 87 6.472 -1.818 -2.531 9 HG22 THR 87 HG22 THR 87 6.429 -3.549 -2.854 10 HG23 THR 87 HG23 THR 87 5.292 -2.477 -3.669 11 H GLN 88 HN GLN 88 7.718 -1.993 -7.398 12 HA GLN 88 HA GLN 88 10.270 -0.570 -7.784 13 HB2 GLN 88 HB2 GLN 88 10.268 -2.988 -8.309 14 HB3 GLN 88 HB1 GLN 88 8.986 -2.746 -9.490 15 HG2 GLN 88 HG2 GLN 88 11.186 -2.965 -10.577 16 HG3 GLN 88 HG1 GLN 88 10.473 -1.385 -10.890 17 HE21 GLN 88 HE21 GLN 88 12.425 -0.358 -11.307 18 HE22 GLN 88 HE22 GLN 88 13.634 -0.064 -10.110 19 H GLY 89 HN GLY 89 10.101 1.395 -8.586 20 HA2 GLY 89 HA2 GLY 89 9.426 2.248 -11.033 21 HA3 GLY 89 HA1 GLY 89 7.852 2.264 -10.243 22 H GLU 90 HN GLU 90 10.809 3.930 -10.665 23 HA GLU 90 HA GLU 90 10.531 5.822 -8.496 24 HB2 GLU 90 HB2 GLU 90 12.131 6.101 -11.086 25 HB3 GLU 90 HB1 GLU 90 12.341 7.053 -9.619 26 HG2 GLU 90 HG2 GLU 90 13.221 5.147 -8.420 27 HG3 GLU 90 HG1 GLU 90 12.812 4.061 -9.752 28 H ARG 91 HN ARG 91 8.217 6.092 -8.928 29 HA ARG 91 HA ARG 91 7.545 8.046 -11.022 30 HB2 ARG 91 HB2 ARG 91 5.948 5.503 -10.433 31 HB3 ARG 91 HB1 ARG 91 5.496 6.759 -11.579 32 HG2 ARG 91 HG2 ARG 91 7.514 6.235 -12.932 33 HG3 ARG 91 HG1 ARG 91 7.927 4.949 -11.800 34 HD2 ARG 91 HD2 ARG 91 5.822 3.776 -12.385 35 HD3 ARG 91 HD1 ARG 91 5.431 5.066 -13.533 36 HE ARG 91 HE ARG 91 7.937 3.530 -13.814 37 HH11 ARG 91 HH11 ARG 91 4.804 4.393 -15.177 38 HH12 ARG 91 HH12 ARG 91 5.186 3.761 -16.744 39 HH21 ARG 91 HH21 ARG 91 8.404 2.694 -15.874 40 HH22 ARG 91 HH22 ARG 91 7.214 2.783 -17.137 41 H CYS 92 HN CYS 92 6.157 9.625 -10.320 42 HA CYS 92 HA CYS 92 5.399 9.813 -7.561 43 HB2 CYS 92 HB2 CYS 92 5.779 11.737 -9.398 44 HB3 CYS 92 HB1 CYS 92 4.046 11.503 -9.695 45 H ALA 93 HN ALA 93 3.965 8.283 -6.857 46 HA ALA 93 HA ALA 93 2.217 6.846 -8.587 47 HB1 ALA 93 HB1 ALA 93 2.310 6.848 -5.552 48 HB2 ALA 93 HB2 ALA 93 3.303 5.843 -6.609 49 HB3 ALA 93 HB3 ALA 93 1.553 5.622 -6.570 50 H VAL 94 HN VAL 94 1.788 9.704 -6.756 51 HA VAL 94 HA VAL 94 -0.965 9.681 -6.204 52 HB VAL 94 HB VAL 94 0.847 12.086 -6.692 53 HG11 VAL 94 HG11 VAL 94 -1.762 11.927 -5.138 54 HG12 VAL 94 HG12 VAL 94 -1.525 12.723 -6.695 55 HG13 VAL 94 HG13 VAL 94 -0.715 13.347 -5.259 56 HG21 VAL 94 HG21 VAL 94 1.800 10.596 -4.984 57 HG22 VAL 94 HG22 VAL 94 0.279 10.607 -4.090 58 HG23 VAL 94 HG23 VAL 94 1.225 12.090 -4.242 59 H HIS 95 HN HIS 95 0.850 11.038 -8.974 60 HA HIS 95 HA HIS 95 -1.645 11.611 -10.439 61 HB2 HIS 95 HB2 HIS 95 1.043 12.100 -11.706 62 HB3 HIS 95 HB1 HIS 95 -0.421 13.043 -11.813 63 HD1 HIS 95 HD1 HIS 95 -0.739 13.660 -8.707 64 HD2 HIS 95 HD2 HIS 95 2.735 13.981 -10.948 65 HE1 HIS 95 HE1 HIS 95 0.863 15.084 -7.354 66 H GLY 96 HN GLY 96 1.069 9.415 -10.344 67 HA2 GLY 96 HA2 GLY 96 1.218 7.250 -11.219 68 HA3 GLY 96 HA1 GLY 96 -0.201 7.562 -12.222 69 H GLU 97 HN GLU 97 2.425 9.776 -12.108 70 HA GLU 97 HA GLU 97 3.454 8.998 -14.776 71 HB2 GLU 97 HB2 GLU 97 4.313 11.350 -14.878 72 HB3 GLU 97 HB1 GLU 97 2.562 11.307 -14.691 73 HG2 GLU 97 HG2 GLU 97 2.701 11.899 -12.365 74 HG3 GLU 97 HG1 GLU 97 4.446 11.659 -12.343 75 H ARG 98 HN ARG 98 5.883 9.372 -14.983 76 HA ARG 98 HA ARG 98 7.447 8.429 -12.808 77 HB2 ARG 98 HB2 ARG 98 8.270 9.823 -15.374 78 HB3 ARG 98 HB1 ARG 98 9.437 9.228 -14.197 79 HG2 ARG 98 HG2 ARG 98 8.596 6.939 -14.527 80 HG3 ARG 98 HG1 ARG 98 7.437 7.540 -15.721 81 HD2 ARG 98 HD2 ARG 98 10.474 7.604 -15.938 82 HD3 ARG 98 HD1 ARG 98 9.363 6.605 -16.879 83 HE ARG 98 HE ARG 98 8.507 8.666 -17.898 84 HH11 ARG 98 HH11 ARG 98 11.675 8.883 -16.368 85 HH12 ARG 98 HH12 ARG 98 12.169 10.247 -17.323 86 HH21 ARG 98 HH21 ARG 98 9.188 10.447 -19.154 87 HH22 ARG 98 HH22 ARG 98 10.772 11.119 -18.901 88 H LEU 99 HN LEU 99 9.384 9.722 -11.990 89 HA LEU 99 HA LEU 99 8.618 12.527 -11.404 90 HB2 LEU 99 HB2 LEU 99 9.323 12.286 -9.090 91 HB3 LEU 99 HB1 LEU 99 8.084 11.112 -9.470 92 HG LEU 99 HG LEU 99 10.141 9.448 -9.755 93 HD11 LEU 99 HD11 LEU 99 11.915 11.116 -9.541 94 HD12 LEU 99 HD12 LEU 99 12.023 9.902 -8.267 95 HD13 LEU 99 HD13 LEU 99 11.372 11.503 -7.905 96 HD21 LEU 99 HD21 LEU 99 9.214 10.323 -6.999 97 HD22 LEU 99 HD22 LEU 99 9.958 8.774 -7.407 98 HD23 LEU 99 HD23 LEU 99 8.377 9.187 -8.060 99 H HIS 100 HN HIS 100 10.180 14.022 -11.739 100 HA HIS 100 HA HIS 100 12.993 13.288 -11.353 101 HB2 HIS 100 HB2 HIS 100 11.870 14.546 -13.874 102 HB3 HIS 100 HB1 HIS 100 13.537 14.827 -13.402 103 HD1 HIS 100 HD1 HIS 100 15.081 12.585 -13.287 104 HD2 HIS 100 HD2 HIS 100 11.455 12.231 -15.292 105 HE1 HIS 100 HE1 HIS 100 15.247 10.489 -14.684 106 H LEU 101 HN LEU 101 12.881 14.370 -9.444 107 HA LEU 101 HA LEU 101 13.802 17.047 -9.475 108 HB2 LEU 101 HB2 LEU 101 11.177 17.240 -9.528 109 HB3 LEU 101 HB1 LEU 101 11.233 16.690 -7.873 110 HG LEU 101 HG LEU 101 10.943 19.160 -8.153 111 HD11 LEU 101 HD11 LEU 101 13.465 18.492 -6.647 112 HD12 LEU 101 HD12 LEU 101 11.821 18.295 -6.041 113 HD13 LEU 101 HD13 LEU 101 12.432 19.904 -6.420 114 HD21 LEU 101 HD21 LEU 101 12.829 20.573 -8.814 115 HD22 LEU 101 HD22 LEU 101 12.317 19.521 -10.130 116 HD23 LEU 101 HD23 LEU 101 13.778 19.140 -9.215 117 H PHE 102 HN PHE 102 14.850 17.469 -7.395 118 HA PHE 102 HA PHE 102 14.542 15.485 -5.276 119 HB2 PHE 102 HB2 PHE 102 16.542 14.841 -6.754 120 HB3 PHE 102 HB1 PHE 102 17.325 16.317 -6.215 121 HD1 PHE 102 HD1 PHE 102 18.301 16.459 -3.971 122 HD2 PHE 102 HD2 PHE 102 16.052 13.010 -5.129 123 HE1 PHE 102 HE1 PHE 102 19.083 15.263 -1.969 124 HE2 PHE 102 HE2 PHE 102 16.849 11.824 -3.129 125 HZ PHE 102 HZ PHE 102 18.361 12.948 -1.546 126 H CYS 103 HN CYS 103 14.226 16.538 -3.416 127 HA CYS 103 HA CYS 103 14.792 19.355 -3.099 128 HB2 CYS 103 HB2 CYS 103 13.629 17.273 -1.215 129 HB3 CYS 103 HB1 CYS 103 13.713 19.001 -0.878 130 HG CYS 103 HG CYS 103 12.200 19.438 -3.407 131 H GLU 104 HN GLU 104 16.662 20.129 -2.325 132 HA GLU 104 HA GLU 104 18.788 18.429 -1.388 133 HB2 GLU 104 HB2 GLU 104 18.556 21.457 -1.501 134 HB3 GLU 104 HB1 GLU 104 20.042 20.590 -1.141 135 HG2 GLU 104 HG2 GLU 104 18.498 20.330 -3.738 136 HG3 GLU 104 HG1 GLU 104 19.852 21.429 -3.493 137 H LYS 105 HN LYS 105 16.382 20.422 0.112 138 HA LYS 105 HA LYS 105 17.671 20.482 2.738 139 HB2 LYS 105 HB2 LYS 105 15.766 21.961 3.351 140 HB3 LYS 105 HB1 LYS 105 16.635 22.527 1.931 141 HG2 LYS 105 HG2 LYS 105 14.836 21.452 0.506 142 HG3 LYS 105 HG1 LYS 105 13.932 21.162 1.994 143 HD2 LYS 105 HD2 LYS 105 14.745 23.861 0.853 144 HD3 LYS 105 HD1 LYS 105 13.117 23.185 0.907 145 HE2 LYS 105 HE2 LYS 105 13.174 23.276 3.379 146 HE3 LYS 105 HE1 LYS 105 14.794 23.973 3.313 147 HZ1 LYS 105 HZ1 LYS 105 13.205 25.724 3.597 148 HZ2 LYS 105 HZ2 LYS 105 12.299 25.202 2.267 149 HZ3 LYS 105 HZ3 LYS 105 13.846 25.843 2.036 150 H ASP 106 HN ASP 106 14.854 19.013 1.181 151 HA ASP 106 HA ASP 106 13.922 17.732 3.647 152 HB2 ASP 106 HB2 ASP 106 12.274 18.729 2.122 153 HB3 ASP 106 HB1 ASP 106 12.838 17.710 0.806 154 H GLY 107 HN GLY 107 15.559 16.929 0.651 155 HA2 GLY 107 HA2 GLY 107 16.888 15.164 0.083 156 HA3 GLY 107 HA1 GLY 107 16.699 14.541 1.716 157 H LYS 108 HN LYS 108 14.185 15.163 -0.718 158 HA LYS 108 HA LYS 108 13.794 12.265 -1.129 159 HB2 LYS 108 HB2 LYS 108 11.652 14.296 -0.396 160 HB3 LYS 108 HB1 LYS 108 11.238 12.816 -1.251 161 HG2 LYS 108 HG2 LYS 108 12.510 12.997 1.503 162 HG3 LYS 108 HG1 LYS 108 10.827 12.590 1.154 163 HD2 LYS 108 HD2 LYS 108 13.267 10.948 0.346 164 HD3 LYS 108 HD1 LYS 108 12.161 10.569 1.667 165 HE2 LYS 108 HE2 LYS 108 10.334 10.197 0.087 166 HE3 LYS 108 HE1 LYS 108 11.347 10.720 -1.262 167 HZ1 LYS 108 HZ1 LYS 108 11.835 8.326 0.438 168 HZ2 LYS 108 HZ2 LYS 108 12.805 8.822 -0.852 169 HZ3 LYS 108 HZ3 LYS 108 11.224 8.302 -1.143 170 H ALA 109 HN ALA 109 13.158 11.635 -3.125 171 HA ALA 109 HA ALA 109 13.535 13.490 -5.320 172 HB1 ALA 109 HB1 ALA 109 13.447 11.474 -6.726 173 HB2 ALA 109 HB2 ALA 109 12.978 10.503 -5.326 174 HB3 ALA 109 HB3 ALA 109 14.569 11.262 -5.380 175 H LEU 110 HN LEU 110 11.816 14.812 -5.532 176 HA LEU 110 HA LEU 110 9.060 13.790 -5.614 177 HB2 LEU 110 HB2 LEU 110 10.115 16.634 -5.920 178 HB3 LEU 110 HB1 LEU 110 8.421 16.178 -5.828 179 HG LEU 110 HG LEU 110 10.479 16.015 -3.593 180 HD11 LEU 110 HD11 LEU 110 9.626 18.276 -3.992 181 HD12 LEU 110 HD12 LEU 110 9.031 17.656 -2.454 182 HD13 LEU 110 HD13 LEU 110 7.961 17.699 -3.859 183 HD21 LEU 110 HD21 LEU 110 9.033 14.052 -3.401 184 HD22 LEU 110 HD22 LEU 110 7.592 15.064 -3.523 185 HD23 LEU 110 HD23 LEU 110 8.660 15.208 -2.123 186 H CYS 111 HN CYS 111 7.710 14.992 -7.487 187 HA CYS 111 HA CYS 111 9.160 14.723 -10.062 188 HB2 CYS 111 HB2 CYS 111 7.089 14.390 -11.141 189 HB3 CYS 111 HB1 CYS 111 6.858 13.550 -9.612 190 H TRP 112 HN TRP 112 8.544 16.417 -11.744 191 HA TRP 112 HA TRP 112 9.215 18.998 -10.809 192 HB2 TRP 112 HB2 TRP 112 9.790 18.140 -13.061 193 HB3 TRP 112 HB1 TRP 112 8.089 18.152 -13.513 194 HD1 TRP 112 HD1 TRP 112 10.824 20.693 -12.410 195 HE1 TRP 112 HE1 TRP 112 10.373 22.925 -13.589 196 HE3 TRP 112 HE3 TRP 112 6.466 19.486 -14.815 197 HZ2 TRP 112 HZ2 TRP 112 8.447 24.036 -15.321 198 HZ3 TRP 112 HZ3 TRP 112 5.377 21.200 -16.211 199 HH2 TRP 112 HH2 TRP 112 6.349 23.433 -16.459 200 H VAL 113 HN VAL 113 6.108 17.488 -11.481 201 HA VAL 113 HA VAL 113 4.489 19.822 -11.506 202 HB VAL 113 HB VAL 113 3.637 17.001 -10.683 203 HG11 VAL 113 HG11 VAL 113 1.367 17.682 -11.405 204 HG12 VAL 113 HG12 VAL 113 1.960 19.313 -11.741 205 HG13 VAL 113 HG13 VAL 113 1.954 18.699 -10.089 206 HG21 VAL 113 HG21 VAL 113 4.724 16.984 -12.896 207 HG22 VAL 113 HG22 VAL 113 3.641 18.259 -13.457 208 HG23 VAL 113 HG23 VAL 113 2.995 16.668 -13.044 209 H CYS 114 HN CYS 114 5.558 17.693 -8.865 210 HA CYS 114 HA CYS 114 4.131 19.089 -6.780 211 HB2 CYS 114 HB2 CYS 114 6.309 16.977 -6.676 212 HB3 CYS 114 HB1 CYS 114 5.618 17.698 -5.226 213 H ALA 115 HN ALA 115 7.059 19.610 -8.468 214 HA ALA 115 HA ALA 115 8.481 21.114 -6.478 215 HB1 ALA 115 HB1 ALA 115 9.998 21.692 -8.298 216 HB2 ALA 115 HB2 ALA 115 8.837 21.102 -9.492 217 HB3 ALA 115 HB3 ALA 115 9.604 19.975 -8.374 218 H GLN 116 HN GLN 116 6.504 21.901 -9.309 219 HA GLN 116 HA GLN 116 6.845 24.759 -8.927 220 HB2 GLN 116 HB2 GLN 116 5.273 23.266 -11.049 221 HB3 GLN 116 HB1 GLN 116 5.650 24.986 -11.057 222 HG2 GLN 116 HG2 GLN 116 7.696 22.752 -11.192 223 HG3 GLN 116 HG1 GLN 116 7.092 23.655 -12.575 224 HE21 GLN 116 HE21 GLN 116 9.142 24.364 -13.148 225 HE22 GLN 116 HE22 GLN 116 10.019 25.545 -12.244 226 H SER 117 HN SER 117 4.263 22.336 -8.481 227 HA SER 117 HA SER 117 2.376 24.294 -7.471 228 HB2 SER 117 HB2 SER 117 1.627 22.067 -8.353 229 HB3 SER 117 HB1 SER 117 2.436 21.273 -7.004 230 HG SER 117 HG SER 117 0.939 22.017 -5.645 231 H ARG 118 HN ARG 118 3.302 25.513 -5.897 232 HA ARG 118 HA ARG 118 5.182 24.315 -3.976 233 HB2 ARG 118 HB2 ARG 118 4.657 27.232 -4.709 234 HB3 ARG 118 HB1 ARG 118 5.921 26.672 -3.617 235 HG2 ARG 118 HG2 ARG 118 7.099 25.576 -5.409 236 HG3 ARG 118 HG1 ARG 118 5.758 25.821 -6.525 237 HD2 ARG 118 HD2 ARG 118 6.144 28.306 -6.314 238 HD3 ARG 118 HD1 ARG 118 7.597 27.940 -5.376 239 HE ARG 118 HE ARG 118 8.053 26.513 -7.581 240 HH11 ARG 118 HH11 ARG 118 6.979 29.858 -7.284 241 HH12 ARG 118 HH12 ARG 118 7.722 30.352 -8.772 242 HH21 ARG 118 HH21 ARG 118 9.003 27.185 -9.544 243 HH22 ARG 118 HH22 ARG 118 8.873 28.845 -10.040 244 H LYS 119 HN LYS 119 3.376 23.338 -2.836 245 HA LYS 119 HA LYS 119 1.555 24.885 -1.275 246 HB2 LYS 119 HB2 LYS 119 1.077 22.537 -1.839 247 HB3 LYS 119 HB1 LYS 119 2.517 22.009 -0.980 248 HG2 LYS 119 HG2 LYS 119 0.503 21.546 0.324 249 HG3 LYS 119 HG1 LYS 119 1.543 22.705 1.156 250 HD2 LYS 119 HD2 LYS 119 0.076 24.556 0.344 251 HD3 LYS 119 HD1 LYS 119 -0.981 23.357 -0.409 252 HE2 LYS 119 HE2 LYS 119 -1.488 22.393 1.790 253 HE3 LYS 119 HE1 LYS 119 -0.371 23.518 2.564 254 HZ1 LYS 119 HZ1 LYS 119 -2.648 24.277 2.788 255 HZ2 LYS 119 HZ2 LYS 119 -2.855 24.257 1.115 256 HZ3 LYS 119 HZ3 LYS 119 -1.776 25.353 1.816 257 H HIS 120 HN HIS 120 4.373 22.913 -0.255 258 HA HIS 120 HA HIS 120 5.670 25.053 1.068 259 HB2 HIS 120 HB2 HIS 120 5.660 23.912 3.418 260 HB3 HIS 120 HB1 HIS 120 4.273 24.873 2.947 261 HD1 HIS 120 HD1 HIS 120 2.069 23.787 3.394 262 HD2 HIS 120 HD2 HIS 120 5.123 20.986 3.050 263 HE1 HIS 120 HE1 HIS 120 1.050 21.546 3.957 264 H ARG 121 HN ARG 121 7.612 24.673 0.332 265 HA ARG 121 HA ARG 121 9.126 22.435 1.333 266 HB2 ARG 121 HB2 ARG 121 8.208 21.598 -0.917 267 HB3 ARG 121 HB1 ARG 121 9.149 22.862 -1.690 268 HG2 ARG 121 HG2 ARG 121 10.521 20.984 -1.901 269 HG3 ARG 121 HG1 ARG 121 11.195 21.802 -0.495 270 HD2 ARG 121 HD2 ARG 121 9.267 19.459 -0.391 271 HD3 ARG 121 HD1 ARG 121 11.016 19.329 -0.228 272 HE ARG 121 HE ARG 121 10.561 20.960 1.772 273 HH11 ARG 121 HH11 ARG 121 8.571 18.201 0.862 274 HH12 ARG 121 HH12 ARG 121 8.099 17.865 2.493 275 HH21 ARG 121 HH21 ARG 121 9.947 20.478 3.897 276 HH22 ARG 121 HH22 ARG 121 8.870 19.153 4.208 277 H ASP 122 HN ASP 122 9.281 24.962 -1.190 278 HA ASP 122 HA ASP 122 10.165 27.015 -1.263 279 HB2 ASP 122 HB2 ASP 122 10.895 26.524 1.646 280 HB3 ASP 122 HB1 ASP 122 11.232 28.038 0.814 281 H HIS 123 HN HIS 123 11.713 26.752 -2.842 282 HA HIS 123 HA HIS 123 13.613 27.778 -3.511 283 HB2 HIS 123 HB2 HIS 123 13.932 28.849 -1.320 284 HB3 HIS 123 HB1 HIS 123 14.696 27.395 -0.697 285 HD1 HIS 123 HD1 HIS 123 15.371 30.268 -3.079 286 HD2 HIS 123 HD2 HIS 123 17.405 27.121 -1.263 287 HE1 HIS 123 HE1 HIS 123 17.832 30.660 -3.517 288 H ALA 124 HN ALA 124 14.763 25.159 -1.316 289 HA ALA 124 HA ALA 124 16.881 24.502 -3.161 290 HB1 ALA 124 HB1 ALA 124 17.204 24.465 -0.718 291 HB2 ALA 124 HB2 ALA 124 17.620 22.929 -1.470 292 HB3 ALA 124 HB3 ALA 124 16.098 23.097 -0.596 293 H MET 125 HN MET 125 15.495 23.984 -4.959 294 HA MET 125 HA MET 125 14.593 21.157 -5.055 295 HB2 MET 125 HB2 MET 125 13.406 23.416 -6.753 296 HB3 MET 125 HB1 MET 125 12.748 21.805 -6.494 297 HG2 MET 125 HG2 MET 125 12.927 23.934 -4.356 298 HG3 MET 125 HG1 MET 125 11.507 23.656 -5.358 299 HE1 MET 125 HE1 MET 125 10.810 20.801 -5.580 300 HE2 MET 125 HE2 MET 125 9.694 21.942 -4.826 301 HE3 MET 125 HE3 MET 125 10.023 20.390 -4.054 302 H VAL 126 HN VAL 126 16.146 20.124 -6.314 303 HA VAL 126 HA VAL 126 17.262 21.508 -8.701 304 HB VAL 126 HB VAL 126 19.292 20.126 -8.495 305 HG11 VAL 126 HG11 VAL 126 19.296 22.298 -7.364 306 HG12 VAL 126 HG12 VAL 126 20.274 21.135 -6.469 307 HG13 VAL 126 HG13 VAL 126 18.661 21.560 -5.890 308 HG21 VAL 126 HG21 VAL 126 18.060 18.974 -5.961 309 HG22 VAL 126 HG22 VAL 126 19.710 18.691 -6.524 310 HG23 VAL 126 HG23 VAL 126 18.344 18.107 -7.472 311 HA PRO 127 HA PRO 127 15.402 18.254 -11.146 312 HB2 PRO 127 HB2 PRO 127 16.806 18.403 -13.458 313 HB3 PRO 127 HB1 PRO 127 15.800 19.747 -12.907 314 HG2 PRO 127 HG2 PRO 127 18.780 19.383 -12.651 315 HG3 PRO 127 HG1 PRO 127 17.871 20.815 -13.180 316 HD2 PRO 127 HD2 PRO 127 18.828 20.496 -10.625 317 HD3 PRO 127 HD1 PRO 127 17.383 21.461 -11.006 318 H LEU 128 HN LEU 128 15.529 16.041 -11.230 319 HA LEU 128 HA LEU 128 17.936 14.563 -10.679 320 HB2 LEU 128 HB2 LEU 128 15.193 13.672 -11.640 321 HB3 LEU 128 HB1 LEU 128 16.513 12.544 -11.395 322 HG LEU 128 HG LEU 128 15.185 14.230 -9.242 323 HD11 LEU 128 HD11 LEU 128 13.783 12.372 -10.021 324 HD12 LEU 128 HD12 LEU 128 14.344 12.101 -8.375 325 HD13 LEU 128 HD13 LEU 128 15.098 11.234 -9.717 326 HD21 LEU 128 HD21 LEU 128 16.556 12.971 -7.631 327 HD22 LEU 128 HD22 LEU 128 17.553 13.940 -8.710 328 HD23 LEU 128 HD23 LEU 128 17.425 12.198 -8.963 329 H GLU 129 HN GLU 129 19.512 14.854 -12.146 330 HA GLU 129 HA GLU 129 19.058 14.113 -14.967 331 HB2 GLU 129 HB2 GLU 129 18.854 16.623 -14.673 332 HB3 GLU 129 HB1 GLU 129 20.516 16.652 -14.100 333 HG2 GLU 129 HG2 GLU 129 21.310 15.867 -16.291 334 HG3 GLU 129 HG1 GLU 129 19.646 15.738 -16.863 335 H GLU 130 HN GLU 130 20.051 12.505 -13.049 336 HA GLU 130 HA GLU 130 22.968 12.458 -13.136 337 HB2 GLU 130 HB2 GLU 130 20.974 10.456 -11.961 338 HB3 GLU 130 HB1 GLU 130 22.720 10.350 -11.796 339 HG2 GLU 130 HG2 GLU 130 21.831 11.198 -9.739 340 HG3 GLU 130 HG1 GLU 130 22.695 12.513 -10.535 Start of MODEL 9 1 H GLY 86 HN GLY 86 12.356 -5.802 -6.497 2 HA2 GLY 86 HA2 GLY 86 14.468 -4.678 -7.998 3 HA3 GLY 86 HA1 GLY 86 13.521 -6.092 -8.444 4 H THR 87 HN THR 87 10.988 -4.467 -8.421 5 HA THR 87 HA THR 87 10.994 -3.331 -11.046 6 HB THR 87 HB THR 87 8.941 -3.029 -8.803 7 HG1 THR 87 HG1 THR 87 8.629 -5.067 -9.180 8 HG21 THR 87 HG21 THR 87 7.314 -2.564 -10.616 9 HG22 THR 87 HG22 THR 87 8.617 -2.607 -11.806 10 HG23 THR 87 HG23 THR 87 8.586 -1.348 -10.567 11 H GLN 88 HN GLN 88 12.350 -1.601 -11.282 12 HA GLN 88 HA GLN 88 13.019 0.370 -9.409 13 HB2 GLN 88 HB2 GLN 88 13.892 1.657 -11.411 14 HB3 GLN 88 HB1 GLN 88 14.479 0.006 -11.275 15 HG2 GLN 88 HG2 GLN 88 12.860 -0.715 -13.013 16 HG3 GLN 88 HG1 GLN 88 12.301 0.949 -13.174 17 HE21 GLN 88 HE21 GLN 88 15.685 0.018 -12.773 18 HE22 GLN 88 HE22 GLN 88 16.201 0.537 -14.334 19 H GLY 89 HN GLY 89 11.959 2.059 -8.657 20 HA2 GLY 89 HA2 GLY 89 9.260 2.629 -9.397 21 HA3 GLY 89 HA1 GLY 89 10.216 3.461 -8.181 22 H GLU 90 HN GLU 90 11.290 5.350 -8.685 23 HA GLU 90 HA GLU 90 11.615 7.388 -9.642 24 HB2 GLU 90 HB2 GLU 90 11.656 5.914 -12.288 25 HB3 GLU 90 HB1 GLU 90 12.365 7.493 -11.981 26 HG2 GLU 90 HG2 GLU 90 14.046 6.456 -10.497 27 HG3 GLU 90 HG1 GLU 90 13.317 4.868 -10.764 28 H ARG 91 HN ARG 91 8.817 6.267 -9.467 29 HA ARG 91 HA ARG 91 7.466 8.143 -11.323 30 HB2 ARG 91 HB2 ARG 91 6.336 5.432 -10.472 31 HB3 ARG 91 HB1 ARG 91 5.555 6.600 -11.531 32 HG2 ARG 91 HG2 ARG 91 7.275 6.236 -13.238 33 HG3 ARG 91 HG1 ARG 91 8.123 5.108 -12.179 34 HD2 ARG 91 HD2 ARG 91 6.062 3.660 -12.178 35 HD3 ARG 91 HD1 ARG 91 5.345 4.756 -13.363 36 HE ARG 91 HE ARG 91 7.915 3.491 -13.993 37 HH11 ARG 91 HH11 ARG 91 4.457 3.693 -14.681 38 HH12 ARG 91 HH12 ARG 91 4.569 2.640 -16.054 39 HH21 ARG 91 HH21 ARG 91 7.987 2.111 -15.790 40 HH22 ARG 91 HH22 ARG 91 6.534 1.757 -16.667 41 H CYS 92 HN CYS 92 6.268 9.601 -10.318 42 HA CYS 92 HA CYS 92 5.835 9.680 -7.502 43 HB2 CYS 92 HB2 CYS 92 5.904 11.655 -9.276 44 HB3 CYS 92 HB1 CYS 92 4.184 11.298 -9.491 45 H ALA 93 HN ALA 93 4.624 8.027 -6.692 46 HA ALA 93 HA ALA 93 2.650 6.541 -8.048 47 HB1 ALA 93 HB1 ALA 93 2.246 5.457 -5.878 48 HB2 ALA 93 HB2 ALA 93 3.142 6.737 -5.057 49 HB3 ALA 93 HB3 ALA 93 3.977 5.651 -6.167 50 H VAL 94 HN VAL 94 2.434 9.511 -6.375 51 HA VAL 94 HA VAL 94 -0.233 9.566 -5.502 52 HB VAL 94 HB VAL 94 1.334 11.997 -6.470 53 HG11 VAL 94 HG11 VAL 94 0.044 13.241 -4.774 54 HG12 VAL 94 HG12 VAL 94 -0.799 11.758 -4.315 55 HG13 VAL 94 HG13 VAL 94 -1.027 12.440 -5.923 56 HG21 VAL 94 HG21 VAL 94 2.797 10.723 -4.968 57 HG22 VAL 94 HG22 VAL 94 1.537 10.675 -3.737 58 HG23 VAL 94 HG23 VAL 94 2.269 12.217 -4.186 59 H HIS 95 HN HIS 95 1.192 10.328 -8.689 60 HA HIS 95 HA HIS 95 -1.508 10.983 -9.770 61 HB2 HIS 95 HB2 HIS 95 1.000 11.520 -11.365 62 HB3 HIS 95 HB1 HIS 95 -0.527 12.378 -11.374 63 HD1 HIS 95 HD1 HIS 95 -0.712 13.289 -8.445 64 HD2 HIS 95 HD2 HIS 95 2.753 13.354 -10.697 65 HE1 HIS 95 HE1 HIS 95 0.868 14.874 -7.277 66 H GLY 96 HN GLY 96 1.392 9.023 -10.200 67 HA2 GLY 96 HA2 GLY 96 1.621 6.957 -11.297 68 HA3 GLY 96 HA1 GLY 96 0.060 7.198 -12.082 69 H GLU 97 HN GLU 97 3.053 9.111 -11.874 70 HA GLU 97 HA GLU 97 3.652 8.792 -14.723 71 HB2 GLU 97 HB2 GLU 97 3.922 11.279 -15.042 72 HB3 GLU 97 HB1 GLU 97 2.260 10.772 -14.820 73 HG2 GLU 97 HG2 GLU 97 2.305 12.679 -13.539 74 HG3 GLU 97 HG1 GLU 97 2.642 11.451 -12.326 75 H ARG 98 HN ARG 98 5.857 9.643 -15.190 76 HA ARG 98 HA ARG 98 7.698 8.765 -13.184 77 HB2 ARG 98 HB2 ARG 98 8.088 8.280 -15.562 78 HB3 ARG 98 HB1 ARG 98 8.192 10.003 -15.918 79 HG2 ARG 98 HG2 ARG 98 10.237 10.190 -14.577 80 HG3 ARG 98 HG1 ARG 98 10.108 8.495 -14.108 81 HD2 ARG 98 HD2 ARG 98 10.449 7.809 -16.447 82 HD3 ARG 98 HD1 ARG 98 10.526 9.505 -16.934 83 HE ARG 98 HE ARG 98 12.639 9.675 -16.074 84 HH11 ARG 98 HH11 ARG 98 11.363 6.508 -15.219 85 HH12 ARG 98 HH12 ARG 98 12.852 5.975 -14.503 86 HH21 ARG 98 HH21 ARG 98 14.566 8.969 -15.140 87 HH22 ARG 98 HH22 ARG 98 14.666 7.376 -14.455 88 H LEU 99 HN LEU 99 9.149 9.944 -12.015 89 HA LEU 99 HA LEU 99 8.657 12.833 -11.743 90 HB2 LEU 99 HB2 LEU 99 9.242 12.590 -9.423 91 HB3 LEU 99 HB1 LEU 99 8.065 11.369 -9.817 92 HG LEU 99 HG LEU 99 10.226 9.800 -10.010 93 HD11 LEU 99 HD11 LEU 99 11.240 11.914 -8.098 94 HD12 LEU 99 HD12 LEU 99 11.896 11.551 -9.692 95 HD13 LEU 99 HD13 LEU 99 11.998 10.347 -8.408 96 HD21 LEU 99 HD21 LEU 99 8.379 9.464 -8.403 97 HD22 LEU 99 HD22 LEU 99 9.151 10.583 -7.279 98 HD23 LEU 99 HD23 LEU 99 9.949 9.064 -7.719 99 H HIS 100 HN HIS 100 10.327 14.263 -12.123 100 HA HIS 100 HA HIS 100 13.096 13.414 -11.557 101 HB2 HIS 100 HB2 HIS 100 12.124 14.651 -14.135 102 HB3 HIS 100 HB1 HIS 100 13.716 15.107 -13.550 103 HD1 HIS 100 HD1 HIS 100 15.606 13.438 -13.951 104 HD2 HIS 100 HD2 HIS 100 11.858 11.947 -14.945 105 HE1 HIS 100 HE1 HIS 100 16.013 11.306 -15.229 106 H LEU 101 HN LEU 101 12.852 14.481 -9.619 107 HA LEU 101 HA LEU 101 13.966 17.086 -9.609 108 HB2 LEU 101 HB2 LEU 101 11.360 17.466 -9.866 109 HB3 LEU 101 HB1 LEU 101 11.264 16.962 -8.201 110 HG LEU 101 HG LEU 101 11.178 19.467 -8.617 111 HD11 LEU 101 HD11 LEU 101 12.522 20.140 -6.735 112 HD12 LEU 101 HD12 LEU 101 13.439 18.636 -6.801 113 HD13 LEU 101 HD13 LEU 101 11.725 18.607 -6.384 114 HD21 LEU 101 HD21 LEU 101 14.111 19.153 -9.319 115 HD22 LEU 101 HD22 LEU 101 13.254 20.677 -9.085 116 HD23 LEU 101 HD23 LEU 101 12.810 19.620 -10.422 117 H PHE 102 HN PHE 102 14.801 17.506 -7.431 118 HA PHE 102 HA PHE 102 14.087 15.769 -5.225 119 HB2 PHE 102 HB2 PHE 102 15.988 14.563 -6.437 120 HB3 PHE 102 HB1 PHE 102 17.016 15.946 -6.086 121 HD1 PHE 102 HD1 PHE 102 17.550 16.495 -3.634 122 HD2 PHE 102 HD2 PHE 102 15.586 12.873 -4.788 123 HE1 PHE 102 HE1 PHE 102 18.071 15.506 -1.452 124 HE2 PHE 102 HE2 PHE 102 16.120 11.895 -2.597 125 HZ PHE 102 HZ PHE 102 17.356 13.210 -0.921 126 H CYS 103 HN CYS 103 13.840 17.150 -3.579 127 HA CYS 103 HA CYS 103 15.240 19.740 -3.563 128 HB2 CYS 103 HB2 CYS 103 12.804 19.776 -3.251 129 HB3 CYS 103 HB1 CYS 103 12.954 18.679 -1.881 130 HG CYS 103 HG CYS 103 12.446 21.067 -0.712 131 H GLU 104 HN GLU 104 16.854 20.130 -2.132 132 HA GLU 104 HA GLU 104 18.165 17.972 -0.830 133 HB2 GLU 104 HB2 GLU 104 18.655 20.973 -0.650 134 HB3 GLU 104 HB1 GLU 104 19.753 19.747 -0.028 135 HG2 GLU 104 HG2 GLU 104 18.980 20.051 -2.948 136 HG3 GLU 104 HG1 GLU 104 20.443 20.719 -2.227 137 H LYS 105 HN LYS 105 16.351 20.805 0.441 138 HA LYS 105 HA LYS 105 16.757 20.036 3.202 139 HB2 LYS 105 HB2 LYS 105 15.340 21.908 3.821 140 HB3 LYS 105 HB1 LYS 105 16.506 22.409 2.610 141 HG2 LYS 105 HG2 LYS 105 14.873 22.620 0.919 142 HG3 LYS 105 HG1 LYS 105 13.693 21.648 1.801 143 HD2 LYS 105 HD2 LYS 105 14.655 24.416 2.629 144 HD3 LYS 105 HD1 LYS 105 13.125 24.073 1.815 145 HE2 LYS 105 HE2 LYS 105 12.376 22.737 3.738 146 HE3 LYS 105 HE1 LYS 105 13.920 22.988 4.550 147 HZ1 LYS 105 HZ1 LYS 105 12.294 24.473 5.438 148 HZ2 LYS 105 HZ2 LYS 105 11.901 25.056 3.907 149 HZ3 LYS 105 HZ3 LYS 105 13.419 25.386 4.562 150 H ASP 106 HN ASP 106 14.133 19.672 0.864 151 HA ASP 106 HA ASP 106 12.171 18.583 2.664 152 HB2 ASP 106 HB2 ASP 106 11.725 19.627 0.371 153 HB3 ASP 106 HB1 ASP 106 12.395 18.180 -0.360 154 H GLY 107 HN GLY 107 14.772 17.329 0.697 155 HA2 GLY 107 HA2 GLY 107 15.932 15.392 0.646 156 HA3 GLY 107 HA1 GLY 107 15.244 15.023 2.218 157 H LYS 108 HN LYS 108 13.296 15.495 -0.658 158 HA LYS 108 HA LYS 108 12.889 12.575 -0.961 159 HB2 LYS 108 HB2 LYS 108 10.728 14.726 -1.016 160 HB3 LYS 108 HB1 LYS 108 10.471 13.052 -1.494 161 HG2 LYS 108 HG2 LYS 108 11.207 14.006 1.299 162 HG3 LYS 108 HG1 LYS 108 9.603 13.511 0.755 163 HD2 LYS 108 HD2 LYS 108 12.050 11.701 0.834 164 HD3 LYS 108 HD1 LYS 108 10.772 11.733 2.051 165 HE2 LYS 108 HE2 LYS 108 10.407 10.984 -0.875 166 HE3 LYS 108 HE1 LYS 108 10.481 9.853 0.473 167 HZ1 LYS 108 HZ1 LYS 108 8.214 10.275 -0.189 168 HZ2 LYS 108 HZ2 LYS 108 8.400 11.933 0.086 169 HZ3 LYS 108 HZ3 LYS 108 8.483 10.848 1.375 170 H ALA 109 HN ALA 109 12.488 11.876 -3.038 171 HA ALA 109 HA ALA 109 13.368 13.556 -5.234 172 HB1 ALA 109 HB1 ALA 109 12.425 10.656 -5.187 173 HB2 ALA 109 HB2 ALA 109 14.098 11.211 -5.125 174 HB3 ALA 109 HB3 ALA 109 13.135 11.484 -6.576 175 H LEU 110 HN LEU 110 11.882 15.046 -5.742 176 HA LEU 110 HA LEU 110 9.012 14.494 -5.732 177 HB2 LEU 110 HB2 LEU 110 10.505 17.083 -6.345 178 HB3 LEU 110 HB1 LEU 110 8.775 16.919 -6.100 179 HG LEU 110 HG LEU 110 10.915 16.503 -3.966 180 HD11 LEU 110 HD11 LEU 110 8.884 18.744 -4.279 181 HD12 LEU 110 HD12 LEU 110 10.620 18.872 -4.553 182 HD13 LEU 110 HD13 LEU 110 10.011 18.552 -2.930 183 HD21 LEU 110 HD21 LEU 110 9.020 14.999 -3.558 184 HD22 LEU 110 HD22 LEU 110 7.888 16.347 -3.699 185 HD23 LEU 110 HD23 LEU 110 9.042 16.295 -2.363 186 H CYS 111 HN CYS 111 7.807 15.586 -7.652 187 HA CYS 111 HA CYS 111 9.104 14.974 -10.256 188 HB2 CYS 111 HB2 CYS 111 6.974 14.347 -11.140 189 HB3 CYS 111 HB1 CYS 111 6.997 13.599 -9.546 190 H TRP 112 HN TRP 112 8.039 16.392 -12.064 191 HA TRP 112 HA TRP 112 8.442 19.106 -11.528 192 HB2 TRP 112 HB2 TRP 112 8.603 18.199 -13.807 193 HB3 TRP 112 HB1 TRP 112 6.878 17.845 -13.824 194 HD1 TRP 112 HD1 TRP 112 9.305 20.862 -13.851 195 HE1 TRP 112 HE1 TRP 112 8.071 22.910 -14.790 196 HE3 TRP 112 HE3 TRP 112 4.605 18.884 -14.252 197 HZ2 TRP 112 HZ2 TRP 112 5.462 23.614 -15.569 198 HZ3 TRP 112 HZ3 TRP 112 2.787 20.317 -15.087 199 HH2 TRP 112 HH2 TRP 112 3.205 22.640 -15.734 200 H VAL 113 HN VAL 113 5.431 17.213 -11.563 201 HA VAL 113 HA VAL 113 3.561 19.313 -11.374 202 HB VAL 113 HB VAL 113 3.270 16.458 -10.323 203 HG11 VAL 113 HG11 VAL 113 0.828 16.811 -10.572 204 HG12 VAL 113 HG12 VAL 113 1.116 18.494 -11.024 205 HG13 VAL 113 HG13 VAL 113 1.525 17.930 -9.404 206 HG21 VAL 113 HG21 VAL 113 2.561 17.610 -13.053 207 HG22 VAL 113 HG22 VAL 113 2.208 15.967 -12.510 208 HG23 VAL 113 HG23 VAL 113 3.881 16.489 -12.707 209 H CYS 114 HN CYS 114 5.211 17.466 -8.802 210 HA CYS 114 HA CYS 114 3.894 18.904 -6.657 211 HB2 CYS 114 HB2 CYS 114 6.169 16.893 -6.578 212 HB3 CYS 114 HB1 CYS 114 5.431 17.610 -5.147 213 H ALA 115 HN ALA 115 6.688 19.422 -8.621 214 HA ALA 115 HA ALA 115 8.135 21.175 -6.834 215 HB1 ALA 115 HB1 ALA 115 8.368 20.835 -9.844 216 HB2 ALA 115 HB2 ALA 115 9.279 19.935 -8.631 217 HB3 ALA 115 HB3 ALA 115 9.524 21.673 -8.804 218 H GLN 116 HN GLN 116 5.910 21.605 -9.578 219 HA GLN 116 HA GLN 116 5.920 24.490 -9.445 220 HB2 GLN 116 HB2 GLN 116 4.272 24.415 -11.260 221 HB3 GLN 116 HB1 GLN 116 5.612 23.339 -11.609 222 HG2 GLN 116 HG2 GLN 116 3.781 22.091 -12.305 223 HG3 GLN 116 HG1 GLN 116 4.083 21.447 -10.697 224 HE21 GLN 116 HE21 GLN 116 1.985 20.722 -10.349 225 HE22 GLN 116 HE22 GLN 116 0.623 21.769 -10.178 226 H SER 117 HN SER 117 4.218 21.957 -7.859 227 HA SER 117 HA SER 117 1.918 23.390 -6.989 228 HB2 SER 117 HB2 SER 117 2.182 20.877 -6.898 229 HB3 SER 117 HB1 SER 117 3.341 21.074 -5.583 230 HG SER 117 HG SER 117 1.644 21.024 -4.356 231 H ARG 118 HN ARG 118 2.395 25.383 -6.222 232 HA ARG 118 HA ARG 118 4.679 26.084 -4.640 233 HB2 ARG 118 HB2 ARG 118 2.137 27.674 -5.236 234 HB3 ARG 118 HB1 ARG 118 3.643 28.347 -4.619 235 HG2 ARG 118 HG2 ARG 118 4.776 27.689 -6.741 236 HG3 ARG 118 HG1 ARG 118 3.237 27.073 -7.349 237 HD2 ARG 118 HD2 ARG 118 3.706 29.317 -8.237 238 HD3 ARG 118 HD1 ARG 118 2.270 29.337 -7.207 239 HE ARG 118 HE ARG 118 4.913 30.128 -6.146 240 HH11 ARG 118 HH11 ARG 118 1.573 31.007 -6.803 241 HH12 ARG 118 HH12 ARG 118 1.676 32.513 -5.940 242 HH21 ARG 118 HH21 ARG 118 5.042 32.105 -5.035 243 HH22 ARG 118 HH22 ARG 118 3.645 33.141 -4.949 244 H LYS 119 HN LYS 119 4.604 24.869 -2.707 245 HA LYS 119 HA LYS 119 2.280 25.289 -0.900 246 HB2 LYS 119 HB2 LYS 119 3.934 22.757 -1.279 247 HB3 LYS 119 HB1 LYS 119 2.715 22.956 -0.027 248 HG2 LYS 119 HG2 LYS 119 2.256 22.855 -3.034 249 HG3 LYS 119 HG1 LYS 119 1.807 21.634 -1.836 250 HD2 LYS 119 HD2 LYS 119 0.260 23.298 -0.784 251 HD3 LYS 119 HD1 LYS 119 0.662 24.442 -2.066 252 HE2 LYS 119 HE2 LYS 119 -0.225 22.823 -3.738 253 HE3 LYS 119 HE1 LYS 119 -0.695 21.757 -2.411 254 HZ1 LYS 119 HZ1 LYS 119 -2.121 23.525 -1.577 255 HZ2 LYS 119 HZ2 LYS 119 -2.560 23.056 -3.139 256 HZ3 LYS 119 HZ3 LYS 119 -1.713 24.502 -2.896 257 H HIS 120 HN HIS 120 5.442 23.732 -0.473 258 HA HIS 120 HA HIS 120 6.469 25.485 1.508 259 HB2 HIS 120 HB2 HIS 120 6.139 23.835 3.476 260 HB3 HIS 120 HB1 HIS 120 4.723 24.751 2.982 261 HD1 HIS 120 HD1 HIS 120 2.654 23.412 2.438 262 HD2 HIS 120 HD2 HIS 120 6.076 21.058 2.489 263 HE1 HIS 120 HE1 HIS 120 1.880 21.031 2.125 264 H ARG 121 HN ARG 121 8.389 24.579 2.552 265 HA ARG 121 HA ARG 121 10.391 23.530 2.604 266 HB2 ARG 121 HB2 ARG 121 8.807 21.204 1.424 267 HB3 ARG 121 HB1 ARG 121 10.445 21.057 2.051 268 HG2 ARG 121 HG2 ARG 121 9.748 21.424 4.282 269 HG3 ARG 121 HG1 ARG 121 8.200 22.097 3.792 270 HD2 ARG 121 HD2 ARG 121 7.946 19.859 4.793 271 HD3 ARG 121 HD1 ARG 121 7.418 19.893 3.112 272 HE ARG 121 HE ARG 121 9.773 18.934 2.675 273 HH11 ARG 121 HH11 ARG 121 7.922 18.183 5.569 274 HH12 ARG 121 HH12 ARG 121 8.477 16.540 5.627 275 HH21 ARG 121 HH21 ARG 121 10.453 16.765 2.776 276 HH22 ARG 121 HH22 ARG 121 9.915 15.744 4.075 277 H ASP 122 HN ASP 122 9.579 25.156 0.305 278 HA ASP 122 HA ASP 122 10.793 23.964 -2.084 279 HB2 ASP 122 HB2 ASP 122 9.699 26.799 -1.867 280 HB3 ASP 122 HB1 ASP 122 9.887 25.823 -3.317 281 H HIS 123 HN HIS 123 13.024 23.906 -1.305 282 HA HIS 123 HA HIS 123 14.487 26.213 -2.212 283 HB2 HIS 123 HB2 HIS 123 14.178 26.948 0.119 284 HB3 HIS 123 HB1 HIS 123 14.827 25.425 0.724 285 HD1 HIS 123 HD1 HIS 123 17.422 25.143 0.636 286 HD2 HIS 123 HD2 HIS 123 16.116 28.797 -0.824 287 HE1 HIS 123 HE1 HIS 123 19.486 26.564 0.351 288 H ALA 124 HN ALA 124 16.539 25.741 -2.858 289 HA ALA 124 HA ALA 124 18.152 24.514 -3.824 290 HB1 ALA 124 HB1 ALA 124 19.393 22.945 -2.383 291 HB2 ALA 124 HB2 ALA 124 18.063 22.955 -1.222 292 HB3 ALA 124 HB3 ALA 124 18.991 24.427 -1.511 293 H MET 125 HN MET 125 16.088 23.910 -5.116 294 HA MET 125 HA MET 125 15.467 21.015 -5.061 295 HB2 MET 125 HB2 MET 125 14.029 23.358 -6.400 296 HB3 MET 125 HB1 MET 125 13.478 21.688 -6.436 297 HG2 MET 125 HG2 MET 125 13.130 21.716 -4.018 298 HG3 MET 125 HG1 MET 125 13.798 23.341 -3.913 299 HE1 MET 125 HE1 MET 125 9.729 22.328 -5.856 300 HE2 MET 125 HE2 MET 125 10.772 21.141 -5.067 301 HE3 MET 125 HE3 MET 125 11.252 21.856 -6.606 302 H VAL 126 HN VAL 126 16.870 19.953 -6.289 303 HA VAL 126 HA VAL 126 17.912 21.069 -8.821 304 HB VAL 126 HB VAL 126 19.777 19.500 -8.594 305 HG11 VAL 126 HG11 VAL 126 20.866 20.349 -6.540 306 HG12 VAL 126 HG12 VAL 126 19.307 20.925 -5.944 307 HG13 VAL 126 HG13 VAL 126 20.011 21.636 -7.396 308 HG21 VAL 126 HG21 VAL 126 20.050 17.975 -6.651 309 HG22 VAL 126 HG22 VAL 126 18.628 17.551 -7.601 310 HG23 VAL 126 HG23 VAL 126 18.440 18.410 -6.072 311 HA PRO 127 HA PRO 127 15.648 17.772 -11.036 312 HB2 PRO 127 HB2 PRO 127 17.069 17.651 -13.365 313 HB3 PRO 127 HB1 PRO 127 16.007 19.018 -12.991 314 HG2 PRO 127 HG2 PRO 127 18.998 18.803 -12.670 315 HG3 PRO 127 HG1 PRO 127 18.042 20.126 -13.374 316 HD2 PRO 127 HD2 PRO 127 18.981 20.207 -10.811 317 HD3 PRO 127 HD1 PRO 127 17.452 20.982 -11.281 318 H LEU 128 HN LEU 128 15.878 15.531 -11.434 319 HA LEU 128 HA LEU 128 18.134 14.209 -10.178 320 HB2 LEU 128 HB2 LEU 128 15.557 13.195 -11.409 321 HB3 LEU 128 HB1 LEU 128 16.834 12.083 -10.931 322 HG LEU 128 HG LEU 128 15.390 14.000 -9.057 323 HD11 LEU 128 HD11 LEU 128 15.144 10.993 -9.314 324 HD12 LEU 128 HD12 LEU 128 13.924 12.187 -9.762 325 HD13 LEU 128 HD13 LEU 128 14.379 11.991 -8.072 326 HD21 LEU 128 HD21 LEU 128 17.483 11.885 -8.425 327 HD22 LEU 128 HD22 LEU 128 16.569 12.815 -7.235 328 HD23 LEU 128 HD23 LEU 128 17.699 13.634 -8.309 329 H GLU 129 HN GLU 129 19.753 14.912 -11.510 330 HA GLU 129 HA GLU 129 20.302 13.083 -13.742 331 HB2 GLU 129 HB2 GLU 129 20.956 16.078 -13.779 332 HB3 GLU 129 HB1 GLU 129 21.507 14.898 -14.968 333 HG2 GLU 129 HG2 GLU 129 19.149 14.466 -15.632 334 HG3 GLU 129 HG1 GLU 129 18.607 15.661 -14.460 335 H GLU 130 HN GLU 130 21.584 11.803 -12.502 336 HA GLU 130 HA GLU 130 23.446 12.873 -10.534 337 HB2 GLU 130 HB2 GLU 130 22.816 9.983 -11.316 338 HB3 GLU 130 HB1 GLU 130 23.817 10.476 -9.949 339 HG2 GLU 130 HG2 GLU 130 21.889 11.555 -8.880 340 HG3 GLU 130 HG1 GLU 130 20.872 11.157 -10.265 Start of MODEL 10 1 H GLY 86 HN GLY 86 5.904 -0.873 -2.438 2 HA2 GLY 86 HA2 GLY 86 6.848 -3.149 -2.706 3 HA3 GLY 86 HA1 GLY 86 5.248 -3.679 -3.203 4 H THR 87 HN THR 87 4.522 -1.540 -4.852 5 HA THR 87 HA THR 87 5.988 -2.169 -7.270 6 HB THR 87 HB THR 87 4.270 -0.599 -8.338 7 HG1 THR 87 HG1 THR 87 3.853 0.629 -6.390 8 HG21 THR 87 HG21 THR 87 3.868 -3.050 -8.220 9 HG22 THR 87 HG22 THR 87 2.364 -2.145 -8.065 10 HG23 THR 87 HG23 THR 87 3.115 -2.851 -6.633 11 H GLN 88 HN GLN 88 8.030 -1.334 -6.682 12 HA GLN 88 HA GLN 88 8.433 1.490 -6.090 13 HB2 GLN 88 HB2 GLN 88 10.479 -0.733 -6.557 14 HB3 GLN 88 HB1 GLN 88 10.820 0.869 -5.896 15 HG2 GLN 88 HG2 GLN 88 9.390 0.336 -3.931 16 HG3 GLN 88 HG1 GLN 88 9.117 -1.280 -4.582 17 HE21 GLN 88 HE21 GLN 88 10.886 -2.753 -4.638 18 HE22 GLN 88 HE22 GLN 88 12.278 -2.535 -3.640 19 H GLY 89 HN GLY 89 9.795 2.871 -7.340 20 HA2 GLY 89 HA2 GLY 89 11.044 2.423 -9.753 21 HA3 GLY 89 HA1 GLY 89 9.374 2.792 -10.174 22 H GLU 90 HN GLU 90 10.830 4.479 -11.255 23 HA GLU 90 HA GLU 90 11.389 6.828 -9.553 24 HB2 GLU 90 HB2 GLU 90 12.388 7.692 -11.863 25 HB3 GLU 90 HB1 GLU 90 13.269 6.536 -10.886 26 HG2 GLU 90 HG2 GLU 90 13.361 6.012 -13.290 27 HG3 GLU 90 HG1 GLU 90 12.648 4.710 -12.343 28 H ARG 91 HN ARG 91 8.677 6.058 -10.007 29 HA ARG 91 HA ARG 91 7.655 8.320 -11.636 30 HB2 ARG 91 HB2 ARG 91 6.353 5.570 -11.334 31 HB3 ARG 91 HB1 ARG 91 5.708 6.929 -12.247 32 HG2 ARG 91 HG2 ARG 91 7.605 6.822 -13.804 33 HG3 ARG 91 HG1 ARG 91 8.304 5.488 -12.887 34 HD2 ARG 91 HD2 ARG 91 6.266 4.130 -13.409 35 HD3 ARG 91 HD1 ARG 91 5.689 5.463 -14.424 36 HE ARG 91 HE ARG 91 8.311 4.741 -15.193 37 HH11 ARG 91 HH11 ARG 91 5.015 3.546 -15.422 38 HH12 ARG 91 HH12 ARG 91 5.330 2.621 -16.855 39 HH21 ARG 91 HH21 ARG 91 8.702 3.548 -17.065 40 HH22 ARG 91 HH22 ARG 91 7.426 2.616 -17.789 41 H CYS 92 HN CYS 92 6.165 9.593 -10.707 42 HA CYS 92 HA CYS 92 5.521 9.464 -7.942 43 HB2 CYS 92 HB2 CYS 92 5.625 11.567 -9.516 44 HB3 CYS 92 HB1 CYS 92 3.957 11.147 -9.955 45 H ALA 93 HN ALA 93 4.284 7.778 -7.247 46 HA ALA 93 HA ALA 93 2.449 6.317 -8.875 47 HB1 ALA 93 HB1 ALA 93 2.899 6.171 -5.875 48 HB2 ALA 93 HB2 ALA 93 3.803 5.273 -7.096 49 HB3 ALA 93 HB3 ALA 93 2.083 4.958 -6.864 50 H VAL 94 HN VAL 94 2.002 9.194 -7.181 51 HA VAL 94 HA VAL 94 -0.727 8.901 -6.368 52 HB VAL 94 HB VAL 94 0.890 11.455 -6.831 53 HG11 VAL 94 HG11 VAL 94 -1.673 11.044 -5.236 54 HG12 VAL 94 HG12 VAL 94 -1.503 11.949 -6.741 55 HG13 VAL 94 HG13 VAL 94 -0.723 12.535 -5.274 56 HG21 VAL 94 HG21 VAL 94 1.998 9.988 -5.195 57 HG22 VAL 94 HG22 VAL 94 0.509 9.859 -4.258 58 HG23 VAL 94 HG23 VAL 94 1.341 11.412 -4.388 59 H HIS 95 HN HIS 95 0.893 10.123 -9.294 60 HA HIS 95 HA HIS 95 -1.736 10.822 -10.508 61 HB2 HIS 95 HB2 HIS 95 0.879 11.635 -11.789 62 HB3 HIS 95 HB1 HIS 95 -0.679 12.437 -11.835 63 HD1 HIS 95 HD1 HIS 95 -1.048 12.791 -8.691 64 HD2 HIS 95 HD2 HIS 95 2.358 13.615 -10.878 65 HE1 HIS 95 HE1 HIS 95 0.408 14.274 -7.243 66 H GLY 96 HN GLY 96 1.224 8.966 -10.917 67 HA2 GLY 96 HA2 GLY 96 1.511 6.968 -12.137 68 HA3 GLY 96 HA1 GLY 96 0.085 7.354 -13.102 69 H GLU 97 HN GLU 97 2.690 9.566 -12.411 70 HA GLU 97 HA GLU 97 3.642 9.543 -15.226 71 HB2 GLU 97 HB2 GLU 97 4.134 11.926 -14.955 72 HB3 GLU 97 HB1 GLU 97 2.438 11.650 -14.577 73 HG2 GLU 97 HG2 GLU 97 2.860 11.842 -12.200 74 HG3 GLU 97 HG1 GLU 97 4.606 11.875 -12.468 75 H ARG 98 HN ARG 98 5.960 10.232 -15.397 76 HA ARG 98 HA ARG 98 7.720 9.012 -13.500 77 HB2 ARG 98 HB2 ARG 98 8.284 9.152 -15.912 78 HB3 ARG 98 HB1 ARG 98 8.330 10.911 -15.816 79 HG2 ARG 98 HG2 ARG 98 10.271 10.785 -14.293 80 HG3 ARG 98 HG1 ARG 98 10.204 9.022 -14.339 81 HD2 ARG 98 HD2 ARG 98 11.957 9.854 -15.835 82 HD3 ARG 98 HD1 ARG 98 10.676 9.062 -16.759 83 HE ARG 98 HE ARG 98 10.378 11.937 -16.513 84 HH11 ARG 98 HH11 ARG 98 11.727 9.366 -18.507 85 HH12 ARG 98 HH12 ARG 98 11.847 10.373 -19.915 86 HH21 ARG 98 HH21 ARG 98 10.515 13.210 -18.373 87 HH22 ARG 98 HH22 ARG 98 11.174 12.546 -19.838 88 H LEU 99 HN LEU 99 9.068 10.040 -11.943 89 HA LEU 99 HA LEU 99 8.449 12.868 -11.335 90 HB2 LEU 99 HB2 LEU 99 8.984 12.437 -9.026 91 HB3 LEU 99 HB1 LEU 99 7.839 11.235 -9.570 92 HG LEU 99 HG LEU 99 9.962 9.680 -9.801 93 HD11 LEU 99 HD11 LEU 99 11.063 11.704 -7.823 94 HD12 LEU 99 HD12 LEU 99 11.700 11.363 -9.429 95 HD13 LEU 99 HD13 LEU 99 11.767 10.122 -8.183 96 HD21 LEU 99 HD21 LEU 99 9.722 8.905 -7.486 97 HD22 LEU 99 HD22 LEU 99 8.154 9.262 -8.203 98 HD23 LEU 99 HD23 LEU 99 8.874 10.396 -7.059 99 H HIS 100 HN HIS 100 10.050 14.370 -11.470 100 HA HIS 100 HA HIS 100 12.843 13.593 -10.997 101 HB2 HIS 100 HB2 HIS 100 11.862 15.028 -13.482 102 HB3 HIS 100 HB1 HIS 100 13.484 15.341 -12.878 103 HD1 HIS 100 HD1 HIS 100 12.663 13.930 -15.663 104 HD2 HIS 100 HD2 HIS 100 14.132 12.063 -12.255 105 HE1 HIS 100 HE1 HIS 100 13.750 11.787 -16.435 106 H LEU 101 HN LEU 101 12.652 14.531 -9.009 107 HA LEU 101 HA LEU 101 13.564 17.220 -8.866 108 HB2 LEU 101 HB2 LEU 101 10.996 17.519 -8.995 109 HB3 LEU 101 HB1 LEU 101 10.893 16.727 -7.444 110 HG LEU 101 HG LEU 101 10.687 19.261 -7.425 111 HD11 LEU 101 HD11 LEU 101 11.189 18.082 -5.351 112 HD12 LEU 101 HD12 LEU 101 11.990 19.649 -5.402 113 HD13 LEU 101 HD13 LEU 101 12.919 18.179 -5.695 114 HD21 LEU 101 HD21 LEU 101 12.692 20.644 -7.620 115 HD22 LEU 101 HD22 LEU 101 12.383 19.785 -9.127 116 HD23 LEU 101 HD23 LEU 101 13.661 19.230 -8.041 117 H PHE 102 HN PHE 102 14.658 17.485 -6.850 118 HA PHE 102 HA PHE 102 14.335 15.422 -4.800 119 HB2 PHE 102 HB2 PHE 102 16.275 14.779 -6.329 120 HB3 PHE 102 HB1 PHE 102 17.108 16.230 -5.784 121 HD1 PHE 102 HD1 PHE 102 17.975 16.375 -3.451 122 HD2 PHE 102 HD2 PHE 102 15.988 12.849 -4.839 123 HE1 PHE 102 HE1 PHE 102 18.822 15.124 -1.514 124 HE2 PHE 102 HE2 PHE 102 16.853 11.608 -2.897 125 HZ PHE 102 HZ PHE 102 18.268 12.744 -1.233 126 H CYS 103 HN CYS 103 13.731 16.589 -3.108 127 HA CYS 103 HA CYS 103 14.421 19.258 -2.501 128 HB2 CYS 103 HB2 CYS 103 13.410 16.999 -0.723 129 HB3 CYS 103 HB1 CYS 103 13.398 18.714 -0.299 130 HG CYS 103 HG CYS 103 11.566 19.433 -2.261 131 H GLU 104 HN GLU 104 16.456 19.911 -1.996 132 HA GLU 104 HA GLU 104 18.543 18.242 -0.999 133 HB2 GLU 104 HB2 GLU 104 18.310 21.271 -1.135 134 HB3 GLU 104 HB1 GLU 104 19.792 20.417 -0.712 135 HG2 GLU 104 HG2 GLU 104 18.320 20.127 -3.349 136 HG3 GLU 104 HG1 GLU 104 19.694 21.199 -3.080 137 H LYS 105 HN LYS 105 16.153 20.277 0.526 138 HA LYS 105 HA LYS 105 17.372 20.164 3.166 139 HB2 LYS 105 HB2 LYS 105 15.371 21.446 3.898 140 HB3 LYS 105 HB1 LYS 105 16.192 22.196 2.540 141 HG2 LYS 105 HG2 LYS 105 14.453 21.205 1.009 142 HG3 LYS 105 HG1 LYS 105 13.585 20.640 2.440 143 HD2 LYS 105 HD2 LYS 105 14.212 23.546 1.762 144 HD3 LYS 105 HD1 LYS 105 12.642 22.760 1.571 145 HE2 LYS 105 HE2 LYS 105 12.444 22.476 3.982 146 HE3 LYS 105 HE1 LYS 105 14.070 23.108 4.236 147 HZ1 LYS 105 HZ1 LYS 105 13.331 25.231 3.323 148 HZ2 LYS 105 HZ2 LYS 105 12.433 24.794 4.687 149 HZ3 LYS 105 HZ3 LYS 105 11.760 24.622 3.145 150 H ASP 106 HN ASP 106 14.531 18.699 1.550 151 HA ASP 106 HA ASP 106 13.699 17.361 4.027 152 HB2 ASP 106 HB2 ASP 106 12.078 18.616 2.520 153 HB3 ASP 106 HB1 ASP 106 12.327 17.369 1.304 154 H GLY 107 HN GLY 107 15.448 16.649 1.165 155 HA2 GLY 107 HA2 GLY 107 16.647 14.843 0.510 156 HA3 GLY 107 HA1 GLY 107 16.321 14.125 2.079 157 H LYS 108 HN LYS 108 13.952 15.025 -0.401 158 HA LYS 108 HA LYS 108 13.224 12.179 -0.799 159 HB2 LYS 108 HB2 LYS 108 11.346 14.519 -0.241 160 HB3 LYS 108 HB1 LYS 108 10.801 12.930 -0.771 161 HG2 LYS 108 HG2 LYS 108 12.331 13.440 1.811 162 HG3 LYS 108 HG1 LYS 108 10.576 13.333 1.698 163 HD2 LYS 108 HD2 LYS 108 12.458 11.078 0.878 164 HD3 LYS 108 HD1 LYS 108 11.712 11.199 2.474 165 HE2 LYS 108 HE2 LYS 108 10.204 10.966 -0.159 166 HE3 LYS 108 HE1 LYS 108 10.470 9.652 0.984 167 HZ1 LYS 108 HZ1 LYS 108 8.979 12.145 1.585 168 HZ2 LYS 108 HZ2 LYS 108 9.176 10.818 2.610 169 HZ3 LYS 108 HZ3 LYS 108 8.278 10.657 1.195 170 H ALA 109 HN ALA 109 12.281 11.680 -2.771 171 HA ALA 109 HA ALA 109 12.989 13.477 -4.980 172 HB1 ALA 109 HB1 ALA 109 12.288 10.517 -5.050 173 HB2 ALA 109 HB2 ALA 109 13.917 11.192 -5.020 174 HB3 ALA 109 HB3 ALA 109 12.872 11.490 -6.408 175 H LEU 110 HN LEU 110 11.364 14.873 -5.343 176 HA LEU 110 HA LEU 110 8.561 13.973 -5.466 177 HB2 LEU 110 HB2 LEU 110 9.697 16.783 -5.792 178 HB3 LEU 110 HB1 LEU 110 7.996 16.358 -5.672 179 HG LEU 110 HG LEU 110 10.073 16.159 -3.453 180 HD11 LEU 110 HD11 LEU 110 8.721 17.888 -2.327 181 HD12 LEU 110 HD12 LEU 110 7.640 17.964 -3.721 182 HD13 LEU 110 HD13 LEU 110 9.326 18.456 -3.881 183 HD21 LEU 110 HD21 LEU 110 7.140 15.347 -3.344 184 HD22 LEU 110 HD22 LEU 110 8.234 15.439 -1.963 185 HD23 LEU 110 HD23 LEU 110 8.532 14.263 -3.237 186 H CYS 111 HN CYS 111 7.311 15.193 -7.345 187 HA CYS 111 HA CYS 111 8.777 14.933 -9.914 188 HB2 CYS 111 HB2 CYS 111 6.729 14.381 -10.989 189 HB3 CYS 111 HB1 CYS 111 6.650 13.482 -9.479 190 H TRP 112 HN TRP 112 7.755 16.511 -11.636 191 HA TRP 112 HA TRP 112 8.206 19.170 -10.884 192 HB2 TRP 112 HB2 TRP 112 8.459 18.469 -13.189 193 HB3 TRP 112 HB1 TRP 112 6.767 17.998 -13.294 194 HD1 TRP 112 HD1 TRP 112 8.591 21.363 -12.427 195 HE1 TRP 112 HE1 TRP 112 7.406 23.251 -13.705 196 HE3 TRP 112 HE3 TRP 112 5.002 18.615 -14.832 197 HZ2 TRP 112 HZ2 TRP 112 5.266 23.551 -15.505 198 HZ3 TRP 112 HZ3 TRP 112 3.417 19.780 -16.319 199 HH2 TRP 112 HH2 TRP 112 3.547 22.205 -16.648 200 H VAL 113 HN VAL 113 5.158 17.394 -11.262 201 HA VAL 113 HA VAL 113 3.349 19.517 -10.834 202 HB VAL 113 HB VAL 113 2.986 16.515 -10.388 203 HG11 VAL 113 HG11 VAL 113 1.225 17.720 -9.159 204 HG12 VAL 113 HG12 VAL 113 0.545 16.912 -10.569 205 HG13 VAL 113 HG13 VAL 113 0.827 18.654 -10.602 206 HG21 VAL 113 HG21 VAL 113 3.612 17.133 -12.694 207 HG22 VAL 113 HG22 VAL 113 2.266 18.273 -12.769 208 HG23 VAL 113 HG23 VAL 113 1.951 16.542 -12.628 209 H CYS 114 HN CYS 114 4.851 17.246 -8.516 210 HA CYS 114 HA CYS 114 3.486 18.357 -6.205 211 HB2 CYS 114 HB2 CYS 114 5.755 16.341 -6.403 212 HB3 CYS 114 HB1 CYS 114 5.072 16.882 -4.869 213 H ALA 115 HN ALA 115 6.232 19.249 -8.044 214 HA ALA 115 HA ALA 115 7.687 20.621 -5.945 215 HB1 ALA 115 HB1 ALA 115 8.862 19.689 -7.904 216 HB2 ALA 115 HB2 ALA 115 9.120 21.429 -7.780 217 HB3 ALA 115 HB3 ALA 115 7.982 20.791 -8.968 218 H GLN 116 HN GLN 116 5.588 21.526 -8.669 219 HA GLN 116 HA GLN 116 5.825 24.368 -8.280 220 HB2 GLN 116 HB2 GLN 116 4.285 24.564 -10.169 221 HB3 GLN 116 HB1 GLN 116 5.502 23.342 -10.528 222 HG2 GLN 116 HG2 GLN 116 3.896 21.561 -9.988 223 HG3 GLN 116 HG1 GLN 116 2.674 22.766 -9.589 224 HE21 GLN 116 HE21 GLN 116 1.754 23.996 -11.287 225 HE22 GLN 116 HE22 GLN 116 1.818 23.457 -12.928 226 H SER 117 HN SER 117 3.787 21.948 -6.940 227 HA SER 117 HA SER 117 1.451 23.509 -6.394 228 HB2 SER 117 HB2 SER 117 0.870 21.603 -4.868 229 HB3 SER 117 HB1 SER 117 1.330 21.075 -6.485 230 HG SER 117 HG SER 117 3.529 21.166 -4.964 231 H ARG 118 HN ARG 118 0.847 23.226 -3.727 232 HA ARG 118 HA ARG 118 2.197 25.420 -2.526 233 HB2 ARG 118 HB2 ARG 118 -0.224 24.855 -2.212 234 HB3 ARG 118 HB1 ARG 118 0.250 23.458 -1.258 235 HG2 ARG 118 HG2 ARG 118 -0.452 25.314 0.184 236 HG3 ARG 118 HG1 ARG 118 1.248 24.916 0.454 237 HD2 ARG 118 HD2 ARG 118 0.843 27.367 0.396 238 HD3 ARG 118 HD1 ARG 118 1.953 26.839 -0.865 239 HE ARG 118 HE ARG 118 0.494 27.606 -2.434 240 HH11 ARG 118 HH11 ARG 118 -1.405 27.108 0.479 241 HH12 ARG 118 HH12 ARG 118 -2.803 27.913 -0.158 242 HH21 ARG 118 HH21 ARG 118 -1.345 28.671 -3.232 243 HH22 ARG 118 HH22 ARG 118 -2.766 28.797 -2.246 244 H LYS 119 HN LYS 119 4.355 24.685 -2.541 245 HA LYS 119 HA LYS 119 5.243 23.054 -0.262 246 HB2 LYS 119 HB2 LYS 119 6.114 22.688 -3.170 247 HB3 LYS 119 HB1 LYS 119 7.006 22.020 -1.810 248 HG2 LYS 119 HG2 LYS 119 4.099 21.275 -2.146 249 HG3 LYS 119 HG1 LYS 119 5.297 20.538 -3.199 250 HD2 LYS 119 HD2 LYS 119 5.031 18.991 -1.416 251 HD3 LYS 119 HD1 LYS 119 6.551 19.809 -1.074 252 HE2 LYS 119 HE2 LYS 119 5.296 19.548 0.989 253 HE3 LYS 119 HE1 LYS 119 5.341 21.261 0.575 254 HZ1 LYS 119 HZ1 LYS 119 3.157 20.651 1.284 255 HZ2 LYS 119 HZ2 LYS 119 3.068 19.401 0.150 256 HZ3 LYS 119 HZ3 LYS 119 3.100 21.011 -0.370 257 H HIS 120 HN HIS 120 7.808 23.224 -0.304 258 HA HIS 120 HA HIS 120 8.586 25.933 0.055 259 HB2 HIS 120 HB2 HIS 120 10.930 24.872 0.302 260 HB3 HIS 120 HB1 HIS 120 9.695 24.334 1.428 261 HD1 HIS 120 HD1 HIS 120 8.848 21.856 1.181 262 HD2 HIS 120 HD2 HIS 120 11.903 22.889 -1.446 263 HE1 HIS 120 HE1 HIS 120 9.704 19.696 0.198 264 H ARG 121 HN ARG 121 8.044 26.925 -1.962 265 HA ARG 121 HA ARG 121 8.853 25.975 -4.492 266 HB2 ARG 121 HB2 ARG 121 7.786 28.669 -3.582 267 HB3 ARG 121 HB1 ARG 121 8.149 28.330 -5.269 268 HG2 ARG 121 HG2 ARG 121 6.101 26.880 -3.554 269 HG3 ARG 121 HG1 ARG 121 5.761 28.048 -4.837 270 HD2 ARG 121 HD2 ARG 121 6.973 25.274 -5.140 271 HD3 ARG 121 HD1 ARG 121 5.408 25.833 -5.733 272 HE ARG 121 HE ARG 121 6.670 27.339 -7.259 273 HH11 ARG 121 HH11 ARG 121 8.261 24.422 -6.097 274 HH12 ARG 121 HH12 ARG 121 9.389 24.375 -7.416 275 HH21 ARG 121 HH21 ARG 121 8.152 27.229 -8.988 276 HH22 ARG 121 HH22 ARG 121 9.323 25.951 -9.038 277 H ASP 122 HN ASP 122 10.934 25.727 -4.927 278 HA ASP 122 HA ASP 122 13.042 26.117 -5.567 279 HB2 ASP 122 HB2 ASP 122 12.280 29.081 -5.511 280 HB3 ASP 122 HB1 ASP 122 13.730 28.418 -6.267 281 H HIS 123 HN HIS 123 12.241 26.049 -2.723 282 HA HIS 123 HA HIS 123 14.590 27.342 -1.440 283 HB2 HIS 123 HB2 HIS 123 11.995 26.268 -0.232 284 HB3 HIS 123 HB1 HIS 123 13.363 26.829 0.726 285 HD1 HIS 123 HD1 HIS 123 10.527 28.097 -1.385 286 HD2 HIS 123 HD2 HIS 123 13.746 29.608 0.772 287 HE1 HIS 123 HE1 HIS 123 10.118 30.580 -1.135 288 H ALA 124 HN ALA 124 16.174 25.892 -1.924 289 HA ALA 124 HA ALA 124 17.520 24.113 -1.813 290 HB1 ALA 124 HB1 ALA 124 17.335 24.511 0.602 291 HB2 ALA 124 HB2 ALA 124 17.550 22.794 0.258 292 HB3 ALA 124 HB3 ALA 124 15.955 23.418 0.693 293 H MET 125 HN MET 125 16.417 23.485 -3.815 294 HA MET 125 HA MET 125 15.592 20.714 -3.802 295 HB2 MET 125 HB2 MET 125 13.416 21.171 -5.025 296 HB3 MET 125 HB1 MET 125 13.411 21.666 -3.339 297 HG2 MET 125 HG2 MET 125 13.828 24.019 -4.072 298 HG3 MET 125 HG1 MET 125 13.679 23.482 -5.747 299 HE1 MET 125 HE1 MET 125 11.384 22.626 -6.825 300 HE2 MET 125 HE2 MET 125 9.889 22.443 -5.907 301 HE3 MET 125 HE3 MET 125 11.252 21.373 -5.590 302 H VAL 126 HN VAL 126 16.809 19.917 -5.383 303 HA VAL 126 HA VAL 126 17.465 21.503 -7.798 304 HB VAL 126 HB VAL 126 19.309 19.874 -8.170 305 HG11 VAL 126 HG11 VAL 126 20.769 20.556 -6.286 306 HG12 VAL 126 HG12 VAL 126 19.349 21.087 -5.382 307 HG13 VAL 126 HG13 VAL 126 19.795 21.902 -6.880 308 HG21 VAL 126 HG21 VAL 126 18.318 17.855 -7.158 309 HG22 VAL 126 HG22 VAL 126 18.426 18.578 -5.553 310 HG23 VAL 126 HG23 VAL 126 19.899 18.180 -6.442 311 HA PRO 127 HA PRO 127 14.970 18.570 -10.203 312 HB2 PRO 127 HB2 PRO 127 15.814 19.115 -12.718 313 HB3 PRO 127 HB1 PRO 127 14.890 20.296 -11.779 314 HG2 PRO 127 HG2 PRO 127 17.858 20.173 -12.285 315 HG3 PRO 127 HG1 PRO 127 16.774 21.582 -12.305 316 HD2 PRO 127 HD2 PRO 127 18.386 20.868 -10.153 317 HD3 PRO 127 HD1 PRO 127 16.919 21.860 -10.010 318 H LEU 128 HN LEU 128 15.170 16.424 -10.784 319 HA LEU 128 HA LEU 128 17.739 15.117 -10.597 320 HB2 LEU 128 HB2 LEU 128 14.954 14.043 -11.165 321 HB3 LEU 128 HB1 LEU 128 16.378 13.013 -11.138 322 HG LEU 128 HG LEU 128 15.314 14.623 -8.785 323 HD11 LEU 128 HD11 LEU 128 14.759 12.443 -7.783 324 HD12 LEU 128 HD12 LEU 128 15.276 11.627 -9.261 325 HD13 LEU 128 HD13 LEU 128 13.880 12.707 -9.290 326 HD21 LEU 128 HD21 LEU 128 17.704 12.743 -8.923 327 HD22 LEU 128 HD22 LEU 128 17.037 13.440 -7.446 328 HD23 LEU 128 HD23 LEU 128 17.752 14.490 -8.664 329 H GLU 129 HN GLU 129 19.094 15.364 -12.212 330 HA GLU 129 HA GLU 129 18.297 14.695 -14.976 331 HB2 GLU 129 HB2 GLU 129 19.937 16.530 -15.725 332 HB3 GLU 129 HB1 GLU 129 18.393 17.074 -15.081 333 HG2 GLU 129 HG2 GLU 129 19.486 17.563 -12.899 334 HG3 GLU 129 HG1 GLU 129 21.034 17.056 -13.575 335 H GLU 130 HN GLU 130 19.076 12.651 -14.180 336 HA GLU 130 HA GLU 130 21.752 12.110 -13.462 337 HB2 GLU 130 HB2 GLU 130 19.545 10.337 -14.582 338 HB3 GLU 130 HB1 GLU 130 21.132 9.706 -14.172 339 HG2 GLU 130 HG2 GLU 130 19.587 9.237 -12.383 340 HG3 GLU 130 HG1 GLU 130 20.809 10.373 -11.820 Start of MODEL 11 1 H GLY 86 HN GLY 86 18.774 -1.051 -11.663 2 HA2 GLY 86 HA2 GLY 86 17.376 -2.833 -9.822 3 HA3 GLY 86 HA1 GLY 86 17.357 -1.126 -9.393 4 H THR 87 HN THR 87 15.280 -3.118 -10.383 5 HA THR 87 HA THR 87 14.223 -1.841 -12.792 6 HB THR 87 HB THR 87 12.352 -3.573 -12.458 7 HG1 THR 87 HG1 THR 87 13.121 -5.329 -10.987 8 HG21 THR 87 HG21 THR 87 13.704 -5.504 -13.188 9 HG22 THR 87 HG22 THR 87 15.180 -4.677 -12.694 10 HG23 THR 87 HG23 THR 87 14.215 -4.030 -14.022 11 H GLN 88 HN GLN 88 14.323 -0.801 -9.764 12 HA GLN 88 HA GLN 88 11.673 -0.204 -8.977 13 HB2 GLN 88 HB2 GLN 88 14.282 1.250 -8.341 14 HB3 GLN 88 HB1 GLN 88 12.758 1.503 -7.495 15 HG2 GLN 88 HG2 GLN 88 12.814 -0.764 -6.609 16 HG3 GLN 88 HG1 GLN 88 14.249 -1.143 -7.564 17 HE21 GLN 88 HE21 GLN 88 13.806 -1.215 -4.650 18 HE22 GLN 88 HE22 GLN 88 15.051 -0.223 -3.973 19 H GLY 89 HN GLY 89 10.448 0.657 -10.611 20 HA2 GLY 89 HA2 GLY 89 11.191 2.768 -12.370 21 HA3 GLY 89 HA1 GLY 89 9.567 2.160 -12.088 22 H GLU 90 HN GLU 90 11.855 4.620 -11.318 23 HA GLU 90 HA GLU 90 10.627 5.796 -9.045 24 HB2 GLU 90 HB2 GLU 90 12.442 7.040 -11.153 25 HB3 GLU 90 HB1 GLU 90 12.040 7.786 -9.607 26 HG2 GLU 90 HG2 GLU 90 13.600 5.213 -10.029 27 HG3 GLU 90 HG1 GLU 90 14.258 6.770 -9.527 28 H ARG 91 HN ARG 91 8.484 6.091 -9.286 29 HA ARG 91 HA ARG 91 7.458 7.999 -11.304 30 HB2 ARG 91 HB2 ARG 91 6.087 5.431 -10.378 31 HB3 ARG 91 HB1 ARG 91 5.399 6.608 -11.492 32 HG2 ARG 91 HG2 ARG 91 6.795 5.946 -13.266 33 HG3 ARG 91 HG1 ARG 91 7.992 5.216 -12.190 34 HD2 ARG 91 HD2 ARG 91 5.211 4.123 -12.775 35 HD3 ARG 91 HD1 ARG 91 6.748 3.463 -13.357 36 HE ARG 91 HE ARG 91 6.971 3.557 -10.601 37 HH11 ARG 91 HH11 ARG 91 4.882 1.857 -12.849 38 HH12 ARG 91 HH12 ARG 91 4.606 0.536 -11.763 39 HH21 ARG 91 HH21 ARG 91 6.593 1.851 -9.208 40 HH22 ARG 91 HH22 ARG 91 5.577 0.530 -9.692 41 H CYS 92 HN CYS 92 6.208 9.566 -10.413 42 HA CYS 92 HA CYS 92 5.575 9.745 -7.634 43 HB2 CYS 92 HB2 CYS 92 5.812 11.670 -9.449 44 HB3 CYS 92 HB1 CYS 92 4.089 11.347 -9.755 45 H ALA 93 HN ALA 93 4.217 8.188 -6.825 46 HA ALA 93 HA ALA 93 2.325 6.766 -8.432 47 HB1 ALA 93 HB1 ALA 93 3.629 5.673 -6.655 48 HB2 ALA 93 HB2 ALA 93 1.895 5.458 -6.396 49 HB3 ALA 93 HB3 ALA 93 2.793 6.636 -5.437 50 H VAL 94 HN VAL 94 2.048 9.708 -6.811 51 HA VAL 94 HA VAL 94 -0.669 9.712 -5.997 52 HB VAL 94 HB VAL 94 0.961 12.092 -7.000 53 HG11 VAL 94 HG11 VAL 94 -1.458 12.016 -5.149 54 HG12 VAL 94 HG12 VAL 94 -1.440 12.614 -6.810 55 HG13 VAL 94 HG13 VAL 94 -0.530 13.461 -5.557 56 HG21 VAL 94 HG21 VAL 94 2.219 10.946 -5.232 57 HG22 VAL 94 HG22 VAL 94 0.809 10.989 -4.171 58 HG23 VAL 94 HG23 VAL 94 1.604 12.493 -4.640 59 H HIS 95 HN HIS 95 0.933 10.740 -9.014 60 HA HIS 95 HA HIS 95 -1.638 11.236 -10.351 61 HB2 HIS 95 HB2 HIS 95 1.000 11.716 -11.744 62 HB3 HIS 95 HB1 HIS 95 -0.495 12.616 -11.863 63 HD1 HIS 95 HD1 HIS 95 -0.880 13.606 -8.952 64 HD2 HIS 95 HD2 HIS 95 2.767 13.439 -10.907 65 HE1 HIS 95 HE1 HIS 95 0.719 15.112 -7.659 66 H GLY 96 HN GLY 96 1.232 9.224 -10.465 67 HA2 GLY 96 HA2 GLY 96 1.444 7.045 -11.320 68 HA3 GLY 96 HA1 GLY 96 0.006 7.286 -12.309 69 H GLU 97 HN GLU 97 2.919 9.269 -11.951 70 HA GLU 97 HA GLU 97 3.584 8.939 -14.833 71 HB2 GLU 97 HB2 GLU 97 4.269 11.340 -14.865 72 HB3 GLU 97 HB1 GLU 97 2.554 11.176 -14.496 73 HG2 GLU 97 HG2 GLU 97 2.900 11.664 -12.183 74 HG3 GLU 97 HG1 GLU 97 4.647 11.494 -12.335 75 H ARG 98 HN ARG 98 5.850 9.154 -15.305 76 HA ARG 98 HA ARG 98 7.755 8.263 -13.383 77 HB2 ARG 98 HB2 ARG 98 7.999 7.837 -15.797 78 HB3 ARG 98 HB1 ARG 98 8.122 9.564 -16.117 79 HG2 ARG 98 HG2 ARG 98 10.257 9.619 -14.829 80 HG3 ARG 98 HG1 ARG 98 10.129 7.870 -14.593 81 HD2 ARG 98 HD2 ARG 98 10.282 7.492 -16.993 82 HD3 ARG 98 HD1 ARG 98 10.245 9.232 -17.306 83 HE ARG 98 HE ARG 98 12.421 8.544 -15.593 84 HH11 ARG 98 HH11 ARG 98 11.494 8.452 -18.986 85 HH12 ARG 98 HH12 ARG 98 13.132 8.535 -19.546 86 HH21 ARG 98 HH21 ARG 98 14.531 8.654 -16.341 87 HH22 ARG 98 HH22 ARG 98 14.853 8.648 -18.047 88 H LEU 99 HN LEU 99 8.984 9.443 -11.949 89 HA LEU 99 HA LEU 99 8.672 12.375 -11.922 90 HB2 LEU 99 HB2 LEU 99 9.280 12.313 -9.567 91 HB3 LEU 99 HB1 LEU 99 7.977 11.193 -9.886 92 HG LEU 99 HG LEU 99 9.828 9.335 -9.839 93 HD11 LEU 99 HD11 LEU 99 11.835 10.715 -9.871 94 HD12 LEU 99 HD12 LEU 99 11.768 9.787 -8.376 95 HD13 LEU 99 HD13 LEU 99 11.353 11.504 -8.368 96 HD21 LEU 99 HD21 LEU 99 9.070 10.742 -7.262 97 HD22 LEU 99 HD22 LEU 99 9.635 9.075 -7.405 98 HD23 LEU 99 HD23 LEU 99 8.095 9.545 -8.119 99 H HIS 100 HN HIS 100 10.397 13.748 -12.103 100 HA HIS 100 HA HIS 100 13.081 12.830 -11.430 101 HB2 HIS 100 HB2 HIS 100 12.321 13.956 -14.137 102 HB3 HIS 100 HB1 HIS 100 13.917 14.313 -13.489 103 HD1 HIS 100 HD1 HIS 100 15.486 12.182 -13.066 104 HD2 HIS 100 HD2 HIS 100 12.076 11.495 -15.338 105 HE1 HIS 100 HE1 HIS 100 15.844 9.969 -14.216 106 H LEU 101 HN LEU 101 12.900 14.024 -9.585 107 HA LEU 101 HA LEU 101 14.020 16.629 -9.748 108 HB2 LEU 101 HB2 LEU 101 11.456 17.063 -9.998 109 HB3 LEU 101 HB1 LEU 101 11.292 16.537 -8.341 110 HG LEU 101 HG LEU 101 11.289 19.049 -8.782 111 HD11 LEU 101 HD11 LEU 101 12.486 19.649 -6.753 112 HD12 LEU 101 HD12 LEU 101 13.296 18.082 -6.739 113 HD13 LEU 101 HD13 LEU 101 11.549 18.173 -6.525 114 HD21 LEU 101 HD21 LEU 101 13.430 20.207 -9.026 115 HD22 LEU 101 HD22 LEU 101 13.100 19.167 -10.409 116 HD23 LEU 101 HD23 LEU 101 14.266 18.659 -9.183 117 H PHE 102 HN PHE 102 14.957 17.148 -7.613 118 HA PHE 102 HA PHE 102 14.472 15.195 -5.452 119 HB2 PHE 102 HB2 PHE 102 16.580 14.602 -6.811 120 HB3 PHE 102 HB1 PHE 102 17.289 16.098 -6.214 121 HD1 PHE 102 HD1 PHE 102 16.321 12.661 -5.380 122 HD2 PHE 102 HD2 PHE 102 17.823 16.332 -3.756 123 HE1 PHE 102 HE1 PHE 102 17.027 11.476 -3.343 124 HE2 PHE 102 HE2 PHE 102 18.526 15.128 -1.732 125 HZ PHE 102 HZ PHE 102 18.137 12.708 -1.520 126 H CYS 103 HN CYS 103 13.798 16.390 -3.773 127 HA CYS 103 HA CYS 103 14.314 19.225 -3.549 128 HB2 CYS 103 HB2 CYS 103 12.153 17.906 -2.797 129 HB3 CYS 103 HB1 CYS 103 13.090 17.513 -1.378 130 HG CYS 103 HG CYS 103 11.289 19.689 -0.960 131 H GLU 104 HN GLU 104 15.856 20.182 -2.253 132 HA GLU 104 HA GLU 104 17.890 18.574 -0.991 133 HB2 GLU 104 HB2 GLU 104 17.540 21.598 -0.984 134 HB3 GLU 104 HB1 GLU 104 18.983 20.730 -0.468 135 HG2 GLU 104 HG2 GLU 104 17.847 20.791 -3.282 136 HG3 GLU 104 HG1 GLU 104 19.253 21.691 -2.713 137 H LYS 105 HN LYS 105 15.239 20.680 0.130 138 HA LYS 105 HA LYS 105 15.909 20.476 2.927 139 HB2 LYS 105 HB2 LYS 105 13.748 21.607 3.347 140 HB3 LYS 105 HB1 LYS 105 14.670 22.437 2.102 141 HG2 LYS 105 HG2 LYS 105 13.230 21.682 0.367 142 HG3 LYS 105 HG1 LYS 105 12.470 20.476 1.403 143 HD2 LYS 105 HD2 LYS 105 12.183 23.495 1.687 144 HD3 LYS 105 HD1 LYS 105 10.977 22.406 0.998 145 HE2 LYS 105 HE2 LYS 105 11.948 22.442 3.881 146 HE3 LYS 105 HE1 LYS 105 10.369 22.966 3.298 147 HZ1 LYS 105 HZ1 LYS 105 11.439 20.199 3.307 148 HZ2 LYS 105 HZ2 LYS 105 9.992 20.643 2.565 149 HZ3 LYS 105 HZ3 LYS 105 10.166 20.805 4.241 150 H ASP 106 HN ASP 106 13.572 18.870 0.795 151 HA ASP 106 HA ASP 106 12.393 17.222 2.870 152 HB2 ASP 106 HB2 ASP 106 11.985 17.595 -0.085 153 HB3 ASP 106 HB1 ASP 106 11.330 16.149 0.613 154 H GLY 107 HN GLY 107 14.992 16.943 0.546 155 HA2 GLY 107 HA2 GLY 107 16.634 15.375 0.244 156 HA3 GLY 107 HA1 GLY 107 16.149 14.681 1.780 157 H LYS 108 HN LYS 108 13.914 14.919 -0.915 158 HA LYS 108 HA LYS 108 14.062 11.996 -1.370 159 HB2 LYS 108 HB2 LYS 108 11.518 13.594 -0.816 160 HB3 LYS 108 HB1 LYS 108 11.548 11.923 -1.375 161 HG2 LYS 108 HG2 LYS 108 12.738 11.274 0.722 162 HG3 LYS 108 HG1 LYS 108 12.621 12.945 1.274 163 HD2 LYS 108 HD2 LYS 108 10.876 11.556 2.309 164 HD3 LYS 108 HD1 LYS 108 10.161 12.792 1.270 165 HE2 LYS 108 HE2 LYS 108 9.786 11.116 -0.498 166 HE3 LYS 108 HE1 LYS 108 10.581 9.881 0.480 167 HZ1 LYS 108 HZ1 LYS 108 8.086 11.305 1.198 168 HZ2 LYS 108 HZ2 LYS 108 8.843 10.112 2.117 169 HZ3 LYS 108 HZ3 LYS 108 8.188 9.724 0.609 170 H ALA 109 HN ALA 109 13.225 11.293 -3.365 171 HA ALA 109 HA ALA 109 13.570 13.093 -5.581 172 HB1 ALA 109 HB1 ALA 109 13.256 11.085 -6.965 173 HB2 ALA 109 HB2 ALA 109 12.740 10.171 -5.546 174 HB3 ALA 109 HB3 ALA 109 14.395 10.768 -5.656 175 H LEU 110 HN LEU 110 11.970 14.544 -5.846 176 HA LEU 110 HA LEU 110 9.124 13.799 -5.765 177 HB2 LEU 110 HB2 LEU 110 10.461 16.508 -6.170 178 HB3 LEU 110 HB1 LEU 110 8.733 16.238 -5.999 179 HG LEU 110 HG LEU 110 10.833 15.795 -3.828 180 HD11 LEU 110 HD11 LEU 110 9.731 17.682 -2.678 181 HD12 LEU 110 HD12 LEU 110 8.649 17.901 -4.057 182 HD13 LEU 110 HD13 LEU 110 10.384 18.170 -4.243 183 HD21 LEU 110 HD21 LEU 110 8.929 15.314 -2.310 184 HD22 LEU 110 HD22 LEU 110 9.049 14.123 -3.603 185 HD23 LEU 110 HD23 LEU 110 7.819 15.386 -3.682 186 H CYS 111 HN CYS 111 7.846 15.111 -7.578 187 HA CYS 111 HA CYS 111 9.129 14.772 -10.230 188 HB2 CYS 111 HB2 CYS 111 7.017 14.331 -11.182 189 HB3 CYS 111 HB1 CYS 111 6.886 13.507 -9.625 190 H TRP 112 HN TRP 112 8.549 16.497 -11.832 191 HA TRP 112 HA TRP 112 8.951 19.107 -11.014 192 HB2 TRP 112 HB2 TRP 112 9.245 18.408 -13.346 193 HB3 TRP 112 HB1 TRP 112 7.518 18.122 -13.521 194 HD1 TRP 112 HD1 TRP 112 9.995 21.079 -13.056 195 HE1 TRP 112 HE1 TRP 112 8.914 23.208 -14.022 196 HE3 TRP 112 HE3 TRP 112 5.373 19.220 -14.202 197 HZ2 TRP 112 HZ2 TRP 112 6.450 24.008 -15.117 198 HZ3 TRP 112 HZ3 TRP 112 3.696 20.728 -15.193 199 HH2 TRP 112 HH2 TRP 112 4.230 23.081 -15.640 200 H VAL 113 HN VAL 113 5.830 17.472 -11.469 201 HA VAL 113 HA VAL 113 4.084 19.663 -11.241 202 HB VAL 113 HB VAL 113 3.554 16.758 -10.458 203 HG11 VAL 113 HG11 VAL 113 1.574 18.964 -11.176 204 HG12 VAL 113 HG12 VAL 113 1.797 18.253 -9.576 205 HG13 VAL 113 HG13 VAL 113 1.160 17.271 -10.895 206 HG21 VAL 113 HG21 VAL 113 4.380 16.938 -12.774 207 HG22 VAL 113 HG22 VAL 113 3.155 18.155 -13.138 208 HG23 VAL 113 HG23 VAL 113 2.669 16.498 -12.766 209 H CYS 114 HN CYS 114 5.363 17.483 -8.707 210 HA CYS 114 HA CYS 114 4.039 18.898 -6.546 211 HB2 CYS 114 HB2 CYS 114 6.110 16.671 -6.491 212 HB3 CYS 114 HB1 CYS 114 5.343 17.347 -5.055 213 H ALA 115 HN ALA 115 6.990 19.269 -8.276 214 HA ALA 115 HA ALA 115 8.622 20.443 -6.241 215 HB1 ALA 115 HB1 ALA 115 10.090 21.086 -8.106 216 HB2 ALA 115 HB2 ALA 115 8.821 20.665 -9.260 217 HB3 ALA 115 HB3 ALA 115 9.562 19.409 -8.267 218 H GLN 116 HN GLN 116 6.841 21.783 -9.008 219 HA GLN 116 HA GLN 116 7.230 24.527 -8.274 220 HB2 GLN 116 HB2 GLN 116 5.333 23.343 -10.344 221 HB3 GLN 116 HB1 GLN 116 5.801 25.034 -10.212 222 HG2 GLN 116 HG2 GLN 116 7.703 22.761 -10.840 223 HG3 GLN 116 HG1 GLN 116 6.956 23.800 -12.043 224 HE21 GLN 116 HE21 GLN 116 8.951 24.519 -12.831 225 HE22 GLN 116 HE22 GLN 116 9.982 25.586 -11.949 226 H SER 117 HN SER 117 4.976 22.102 -7.345 227 HA SER 117 HA SER 117 2.718 23.667 -6.607 228 HB2 SER 117 HB2 SER 117 2.730 21.151 -6.822 229 HB3 SER 117 HB1 SER 117 3.719 21.048 -5.370 230 HG SER 117 HG SER 117 1.853 22.331 -4.422 231 H ARG 118 HN ARG 118 2.837 25.333 -5.217 232 HA ARG 118 HA ARG 118 5.009 25.706 -3.365 233 HB2 ARG 118 HB2 ARG 118 2.471 27.374 -3.631 234 HB3 ARG 118 HB1 ARG 118 3.971 27.858 -2.844 235 HG2 ARG 118 HG2 ARG 118 3.541 27.397 -5.816 236 HG3 ARG 118 HG1 ARG 118 3.798 28.941 -5.004 237 HD2 ARG 118 HD2 ARG 118 5.829 26.686 -5.222 238 HD3 ARG 118 HD1 ARG 118 5.835 28.176 -6.169 239 HE ARG 118 HE ARG 118 5.860 28.796 -3.411 240 HH11 ARG 118 HH11 ARG 118 8.001 27.595 -5.922 241 HH12 ARG 118 HH12 ARG 118 9.438 28.080 -5.078 242 HH21 ARG 118 HH21 ARG 118 7.748 29.428 -2.335 243 HH22 ARG 118 HH22 ARG 118 9.297 29.123 -3.070 244 H LYS 119 HN LYS 119 4.792 23.917 -2.034 245 HA LYS 119 HA LYS 119 2.503 23.475 -0.292 246 HB2 LYS 119 HB2 LYS 119 5.252 22.187 -0.397 247 HB3 LYS 119 HB1 LYS 119 3.917 21.647 0.627 248 HG2 LYS 119 HG2 LYS 119 2.580 21.105 -1.351 249 HG3 LYS 119 HG1 LYS 119 3.859 21.710 -2.411 250 HD2 LYS 119 HD2 LYS 119 4.434 19.509 -0.427 251 HD3 LYS 119 HD1 LYS 119 3.647 19.133 -1.954 252 HE2 LYS 119 HE2 LYS 119 6.110 18.790 -2.046 253 HE3 LYS 119 HE1 LYS 119 5.554 19.986 -3.208 254 HZ1 LYS 119 HZ1 LYS 119 6.753 20.650 -0.582 255 HZ2 LYS 119 HZ2 LYS 119 6.383 21.730 -1.829 256 HZ3 LYS 119 HZ3 LYS 119 7.612 20.590 -2.031 257 H HIS 120 HN HIS 120 5.873 24.418 -0.053 258 HA HIS 120 HA HIS 120 5.501 25.845 2.499 259 HB2 HIS 120 HB2 HIS 120 7.887 24.034 1.832 260 HB3 HIS 120 HB1 HIS 120 7.628 24.909 3.339 261 HD1 HIS 120 HD1 HIS 120 6.951 21.680 1.721 262 HD2 HIS 120 HD2 HIS 120 5.374 23.867 4.888 263 HE1 HIS 120 HE1 HIS 120 5.543 20.072 3.063 264 H ARG 121 HN ARG 121 8.209 26.731 2.651 265 HA ARG 121 HA ARG 121 8.539 28.590 0.457 266 HB2 ARG 121 HB2 ARG 121 9.219 29.002 2.906 267 HB3 ARG 121 HB1 ARG 121 10.544 27.880 2.652 268 HG2 ARG 121 HG2 ARG 121 11.458 30.079 2.455 269 HG3 ARG 121 HG1 ARG 121 11.383 29.414 0.820 270 HD2 ARG 121 HD2 ARG 121 10.644 31.782 0.893 271 HD3 ARG 121 HD1 ARG 121 9.345 30.711 0.354 272 HE ARG 121 HE ARG 121 9.260 31.162 3.186 273 HH11 ARG 121 HH11 ARG 121 8.383 32.671 0.155 274 HH12 ARG 121 HH12 ARG 121 7.089 33.582 0.857 275 HH21 ARG 121 HH21 ARG 121 7.552 32.346 4.076 276 HH22 ARG 121 HH22 ARG 121 6.608 33.389 3.059 277 H ASP 122 HN ASP 122 8.446 26.668 -1.103 278 HA ASP 122 HA ASP 122 10.651 24.820 -1.260 279 HB2 ASP 122 HB2 ASP 122 8.356 25.407 -3.195 280 HB3 ASP 122 HB1 ASP 122 9.554 24.143 -3.463 281 H HIS 123 HN HIS 123 12.548 25.185 -2.176 282 HA HIS 123 HA HIS 123 13.027 26.987 -4.382 283 HB2 HIS 123 HB2 HIS 123 12.791 28.603 -2.502 284 HB3 HIS 123 HB1 HIS 123 13.997 27.722 -1.569 285 HD1 HIS 123 HD1 HIS 123 16.121 29.065 -1.549 286 HD2 HIS 123 HD2 HIS 123 14.184 29.321 -5.216 287 HE1 HIS 123 HE1 HIS 123 17.551 30.556 -3.003 288 H ALA 124 HN ALA 124 14.553 25.471 -1.545 289 HA ALA 124 HA ALA 124 16.964 24.676 -2.835 290 HB1 ALA 124 HB1 ALA 124 15.743 23.608 -0.261 291 HB2 ALA 124 HB2 ALA 124 16.786 25.026 -0.382 292 HB3 ALA 124 HB3 ALA 124 17.422 23.429 -0.782 293 H MET 125 HN MET 125 16.459 23.558 -4.695 294 HA MET 125 HA MET 125 16.049 20.726 -4.397 295 HB2 MET 125 HB2 MET 125 14.199 20.550 -6.053 296 HB3 MET 125 HB1 MET 125 13.701 21.406 -4.603 297 HG2 MET 125 HG2 MET 125 13.852 23.547 -5.771 298 HG3 MET 125 HG1 MET 125 14.461 22.735 -7.215 299 HE1 MET 125 HE1 MET 125 10.207 21.968 -5.586 300 HE2 MET 125 HE2 MET 125 11.428 22.881 -4.697 301 HE3 MET 125 HE3 MET 125 11.630 21.143 -4.955 302 H VAL 126 HN VAL 126 16.782 19.573 -6.208 303 HA VAL 126 HA VAL 126 18.066 21.073 -8.412 304 HB VAL 126 HB VAL 126 19.892 19.386 -8.431 305 HG11 VAL 126 HG11 VAL 126 20.254 21.453 -7.116 306 HG12 VAL 126 HG12 VAL 126 21.099 20.085 -6.386 307 HG13 VAL 126 HG13 VAL 126 19.588 20.665 -5.683 308 HG21 VAL 126 HG21 VAL 126 18.669 17.447 -7.494 309 HG22 VAL 126 HG22 VAL 126 18.602 18.236 -5.918 310 HG23 VAL 126 HG23 VAL 126 20.158 17.734 -6.583 311 HA PRO 127 HA PRO 127 15.570 18.232 -10.918 312 HB2 PRO 127 HB2 PRO 127 16.731 18.580 -13.376 313 HB3 PRO 127 HB1 PRO 127 15.718 19.821 -12.624 314 HG2 PRO 127 HG2 PRO 127 18.727 19.627 -12.708 315 HG3 PRO 127 HG1 PRO 127 17.691 21.045 -12.992 316 HD2 PRO 127 HD2 PRO 127 18.946 20.586 -10.598 317 HD3 PRO 127 HD1 PRO 127 17.388 21.435 -10.709 318 H LEU 128 HN LEU 128 15.742 16.043 -10.829 319 HA LEU 128 HA LEU 128 18.229 14.620 -10.927 320 HB2 LEU 128 HB2 LEU 128 15.343 13.687 -10.966 321 HB3 LEU 128 HB1 LEU 128 16.673 12.556 -11.174 322 HG LEU 128 HG LEU 128 16.199 14.286 -8.713 323 HD11 LEU 128 HD11 LEU 128 15.848 11.297 -9.088 324 HD12 LEU 128 HD12 LEU 128 14.558 12.485 -8.883 325 HD13 LEU 128 HD13 LEU 128 15.684 12.176 -7.565 326 HD21 LEU 128 HD21 LEU 128 18.363 12.202 -9.215 327 HD22 LEU 128 HD22 LEU 128 18.052 13.005 -7.675 328 HD23 LEU 128 HD23 LEU 128 18.607 13.945 -9.057 329 H GLU 129 HN GLU 129 19.271 15.064 -12.813 330 HA GLU 129 HA GLU 129 18.106 13.869 -15.276 331 HB2 GLU 129 HB2 GLU 129 18.365 16.356 -15.474 332 HB3 GLU 129 HB1 GLU 129 20.082 16.201 -15.131 333 HG2 GLU 129 HG2 GLU 129 19.639 16.497 -17.540 334 HG3 GLU 129 HG1 GLU 129 20.421 14.951 -17.205 335 H GLU 130 HN GLU 130 19.406 12.443 -16.349 336 HA GLU 130 HA GLU 130 21.858 11.561 -14.934 337 HB2 GLU 130 HB2 GLU 130 20.039 9.948 -16.786 338 HB3 GLU 130 HB1 GLU 130 21.394 9.335 -15.840 339 HG2 GLU 130 HG2 GLU 130 20.159 9.982 -13.752 340 HG3 GLU 130 HG1 GLU 130 18.785 10.443 -14.753 Start of MODEL 12 1 H GLY 86 HN GLY 86 1.084 -2.240 -6.713 2 HA2 GLY 86 HA2 GLY 86 3.749 -3.198 -6.678 3 HA3 GLY 86 HA1 GLY 86 3.073 -2.015 -7.785 4 H THR 87 HN THR 87 2.951 0.221 -7.057 5 HA THR 87 HA THR 87 3.947 2.163 -6.455 6 HB THR 87 HB THR 87 4.156 0.861 -3.702 7 HG1 THR 87 HG1 THR 87 1.935 2.204 -4.907 8 HG21 THR 87 HG21 THR 87 3.802 3.128 -2.826 9 HG22 THR 87 HG22 THR 87 3.750 3.776 -4.465 10 HG23 THR 87 HG23 THR 87 5.251 3.091 -3.834 11 H GLN 88 HN GLN 88 5.807 1.612 -7.855 12 HA GLN 88 HA GLN 88 8.370 1.512 -6.507 13 HB2 GLN 88 HB2 GLN 88 9.105 -0.622 -7.601 14 HB3 GLN 88 HB1 GLN 88 7.834 -0.868 -6.410 15 HG2 GLN 88 HG2 GLN 88 6.163 -0.992 -8.252 16 HG3 GLN 88 HG1 GLN 88 7.476 -0.825 -9.423 17 HE21 GLN 88 HE21 GLN 88 5.983 -2.924 -7.054 18 HE22 GLN 88 HE22 GLN 88 6.787 -4.369 -7.548 19 H GLY 89 HN GLY 89 10.112 1.001 -8.368 20 HA2 GLY 89 HA2 GLY 89 11.069 1.528 -10.401 21 HA3 GLY 89 HA1 GLY 89 9.510 2.112 -10.980 22 H GLU 90 HN GLU 90 9.751 4.177 -11.571 23 HA GLU 90 HA GLU 90 10.861 6.185 -9.725 24 HB2 GLU 90 HB2 GLU 90 12.217 7.213 -11.560 25 HB3 GLU 90 HB1 GLU 90 12.803 5.629 -11.066 26 HG2 GLU 90 HG2 GLU 90 11.714 4.602 -13.042 27 HG3 GLU 90 HG1 GLU 90 11.132 6.191 -13.542 28 H ARG 91 HN ARG 91 8.253 5.608 -10.284 29 HA ARG 91 HA ARG 91 7.348 8.095 -11.616 30 HB2 ARG 91 HB2 ARG 91 5.987 5.371 -11.492 31 HB3 ARG 91 HB1 ARG 91 5.080 6.845 -11.828 32 HG2 ARG 91 HG2 ARG 91 6.511 7.245 -13.828 33 HG3 ARG 91 HG1 ARG 91 7.340 5.713 -13.529 34 HD2 ARG 91 HD2 ARG 91 5.317 4.459 -13.885 35 HD3 ARG 91 HD1 ARG 91 4.332 5.925 -13.907 36 HE ARG 91 HE ARG 91 5.996 6.349 -15.971 37 HH11 ARG 91 HH11 ARG 91 4.191 3.442 -15.201 38 HH12 ARG 91 HH12 ARG 91 3.806 3.113 -16.858 39 HH21 ARG 91 HH21 ARG 91 5.439 5.930 -18.109 40 HH22 ARG 91 HH22 ARG 91 4.490 4.523 -18.492 41 H CYS 92 HN CYS 92 6.127 9.432 -10.451 42 HA CYS 92 HA CYS 92 5.752 9.211 -7.628 43 HB2 CYS 92 HB2 CYS 92 5.940 11.351 -9.176 44 HB3 CYS 92 HB1 CYS 92 4.201 11.127 -9.425 45 H ALA 93 HN ALA 93 4.389 7.605 -6.921 46 HA ALA 93 HA ALA 93 2.509 6.271 -8.515 47 HB1 ALA 93 HB1 ALA 93 3.715 5.221 -6.631 48 HB2 ALA 93 HB2 ALA 93 1.972 4.985 -6.495 49 HB3 ALA 93 HB3 ALA 93 2.777 6.192 -5.492 50 H VAL 94 HN VAL 94 2.060 9.126 -6.618 51 HA VAL 94 HA VAL 94 -0.696 8.885 -5.976 52 HB VAL 94 HB VAL 94 0.956 11.432 -6.291 53 HG11 VAL 94 HG11 VAL 94 -0.734 12.494 -4.809 54 HG12 VAL 94 HG12 VAL 94 -1.684 11.008 -4.826 55 HG13 VAL 94 HG13 VAL 94 -1.464 11.931 -6.314 56 HG21 VAL 94 HG21 VAL 94 0.430 9.762 -3.804 57 HG22 VAL 94 HG22 VAL 94 1.274 11.313 -3.833 58 HG23 VAL 94 HG23 VAL 94 1.970 9.911 -4.649 59 H HIS 95 HN HIS 95 1.003 10.454 -8.704 60 HA HIS 95 HA HIS 95 -1.557 11.198 -9.964 61 HB2 HIS 95 HB2 HIS 95 1.076 11.784 -11.302 62 HB3 HIS 95 HB1 HIS 95 -0.380 12.748 -11.264 63 HD1 HIS 95 HD1 HIS 95 -0.544 13.056 -8.095 64 HD2 HIS 95 HD2 HIS 95 2.810 13.580 -10.463 65 HE1 HIS 95 HE1 HIS 95 1.100 14.398 -6.722 66 H GLY 96 HN GLY 96 1.298 9.185 -10.399 67 HA2 GLY 96 HA2 GLY 96 1.494 7.161 -11.556 68 HA3 GLY 96 HA1 GLY 96 -0.003 7.501 -12.413 69 H GLU 97 HN GLU 97 2.753 9.698 -12.084 70 HA GLU 97 HA GLU 97 3.513 9.301 -14.914 71 HB2 GLU 97 HB2 GLU 97 3.932 11.775 -15.081 72 HB3 GLU 97 HB1 GLU 97 2.242 11.352 -14.911 73 HG2 GLU 97 HG2 GLU 97 2.563 13.287 -13.591 74 HG3 GLU 97 HG1 GLU 97 2.431 11.950 -12.453 75 H ARG 98 HN ARG 98 5.713 10.296 -15.333 76 HA ARG 98 HA ARG 98 7.569 8.832 -13.726 77 HB2 ARG 98 HB2 ARG 98 7.612 9.255 -16.276 78 HB3 ARG 98 HB1 ARG 98 8.257 10.846 -15.904 79 HG2 ARG 98 HG2 ARG 98 10.222 9.693 -16.279 80 HG3 ARG 98 HG1 ARG 98 10.062 9.453 -14.538 81 HD2 ARG 98 HD2 ARG 98 9.232 7.224 -14.839 82 HD3 ARG 98 HD1 ARG 98 9.056 7.456 -16.583 83 HE ARG 98 HE ARG 98 11.684 7.488 -15.216 84 HH11 ARG 98 HH11 ARG 98 9.718 6.350 -17.894 85 HH12 ARG 98 HH12 ARG 98 11.035 5.495 -18.633 86 HH21 ARG 98 HH21 ARG 98 13.377 6.352 -16.213 87 HH22 ARG 98 HH22 ARG 98 13.082 5.505 -17.706 88 H LEU 99 HN LEU 99 8.714 9.570 -11.955 89 HA LEU 99 HA LEU 99 8.680 12.431 -11.318 90 HB2 LEU 99 HB2 LEU 99 9.375 11.864 -9.088 91 HB3 LEU 99 HB1 LEU 99 8.070 10.801 -9.552 92 HG LEU 99 HG LEU 99 9.995 9.041 -9.991 93 HD11 LEU 99 HD11 LEU 99 11.457 10.881 -8.068 94 HD12 LEU 99 HD12 LEU 99 11.925 10.532 -9.732 95 HD13 LEU 99 HD13 LEU 99 11.957 9.248 -8.527 96 HD21 LEU 99 HD21 LEU 99 8.280 8.794 -8.243 97 HD22 LEU 99 HD22 LEU 99 9.235 9.799 -7.149 98 HD23 LEU 99 HD23 LEU 99 9.851 8.231 -7.681 99 H HIS 100 HN HIS 100 10.362 13.745 -11.740 100 HA HIS 100 HA HIS 100 13.073 12.838 -11.193 101 HB2 HIS 100 HB2 HIS 100 12.229 14.043 -13.847 102 HB3 HIS 100 HB1 HIS 100 13.877 14.236 -13.267 103 HD1 HIS 100 HD1 HIS 100 11.674 11.875 -15.052 104 HD2 HIS 100 HD2 HIS 100 15.314 11.745 -13.051 105 HE1 HIS 100 HE1 HIS 100 12.771 9.694 -15.706 106 H LEU 101 HN LEU 101 13.051 14.026 -9.386 107 HA LEU 101 HA LEU 101 13.909 16.739 -9.537 108 HB2 LEU 101 HB2 LEU 101 11.340 16.967 -9.606 109 HB3 LEU 101 HB1 LEU 101 11.277 16.237 -8.020 110 HG LEU 101 HG LEU 101 10.984 18.773 -8.162 111 HD11 LEU 101 HD11 LEU 101 13.133 17.797 -6.269 112 HD12 LEU 101 HD12 LEU 101 11.390 17.674 -6.030 113 HD13 LEU 101 HD13 LEU 101 12.156 19.257 -6.088 114 HD21 LEU 101 HD21 LEU 101 12.744 19.279 -9.776 115 HD22 LEU 101 HD22 LEU 101 13.980 18.771 -8.621 116 HD23 LEU 101 HD23 LEU 101 12.974 20.182 -8.280 117 H PHE 102 HN PHE 102 14.961 17.262 -7.503 118 HA PHE 102 HA PHE 102 14.929 15.217 -5.375 119 HB2 PHE 102 HB2 PHE 102 16.849 14.688 -6.889 120 HB3 PHE 102 HB1 PHE 102 17.484 16.317 -6.651 121 HD1 PHE 102 HD1 PHE 102 16.654 13.141 -4.849 122 HD2 PHE 102 HD2 PHE 102 18.901 16.786 -4.766 123 HE1 PHE 102 HE1 PHE 102 17.882 12.346 -2.869 124 HE2 PHE 102 HE2 PHE 102 20.122 15.978 -2.790 125 HZ PHE 102 HZ PHE 102 19.619 13.760 -1.839 126 H CYS 103 HN CYS 103 14.399 16.306 -3.562 127 HA CYS 103 HA CYS 103 15.148 19.104 -3.202 128 HB2 CYS 103 HB2 CYS 103 12.933 18.311 -2.407 129 HB3 CYS 103 HB1 CYS 103 13.731 17.221 -1.273 130 HG CYS 103 HG CYS 103 14.250 20.599 -1.179 131 H GLU 104 HN GLU 104 16.952 19.730 -2.185 132 HA GLU 104 HA GLU 104 19.080 17.913 -1.943 133 HB2 GLU 104 HB2 GLU 104 18.895 20.801 -1.010 134 HB3 GLU 104 HB1 GLU 104 20.391 19.883 -1.184 135 HG2 GLU 104 HG2 GLU 104 20.046 19.682 -3.602 136 HG3 GLU 104 HG1 GLU 104 18.474 20.476 -3.472 137 H LYS 105 HN LYS 105 17.266 19.654 0.613 138 HA LYS 105 HA LYS 105 18.824 18.381 2.734 139 HB2 LYS 105 HB2 LYS 105 17.511 19.802 4.274 140 HB3 LYS 105 HB1 LYS 105 18.278 20.736 2.996 141 HG2 LYS 105 HG2 LYS 105 16.125 20.881 1.792 142 HG3 LYS 105 HG1 LYS 105 15.351 19.933 3.070 143 HD2 LYS 105 HD2 LYS 105 15.964 21.710 4.708 144 HD3 LYS 105 HD1 LYS 105 16.640 22.668 3.387 145 HE2 LYS 105 HE2 LYS 105 14.404 22.794 2.344 146 HE3 LYS 105 HE1 LYS 105 13.729 21.823 3.655 147 HZ1 LYS 105 HZ1 LYS 105 14.987 24.490 3.921 148 HZ2 LYS 105 HZ2 LYS 105 14.390 23.563 5.202 149 HZ3 LYS 105 HZ3 LYS 105 13.336 24.155 4.019 150 H ASP 106 HN ASP 106 15.626 18.075 1.285 151 HA ASP 106 HA ASP 106 14.474 16.388 3.319 152 HB2 ASP 106 HB2 ASP 106 13.024 17.656 1.817 153 HB3 ASP 106 HB1 ASP 106 13.722 16.872 0.409 154 H GLY 107 HN GLY 107 16.288 15.850 0.367 155 HA2 GLY 107 HA2 GLY 107 17.605 14.137 -0.299 156 HA3 GLY 107 HA1 GLY 107 17.375 13.399 1.278 157 H LYS 108 HN LYS 108 14.483 14.000 -0.551 158 HA LYS 108 HA LYS 108 14.433 11.189 -1.482 159 HB2 LYS 108 HB2 LYS 108 12.077 12.998 -0.800 160 HB3 LYS 108 HB1 LYS 108 11.933 11.379 -1.491 161 HG2 LYS 108 HG2 LYS 108 13.220 10.572 0.593 162 HG3 LYS 108 HG1 LYS 108 12.883 12.166 1.278 163 HD2 LYS 108 HD2 LYS 108 10.809 10.132 0.338 164 HD3 LYS 108 HD1 LYS 108 11.224 10.482 2.015 165 HE2 LYS 108 HE2 LYS 108 10.005 12.491 0.084 166 HE3 LYS 108 HE1 LYS 108 9.097 11.556 1.270 167 HZ1 LYS 108 HZ1 LYS 108 9.512 13.678 2.176 168 HZ2 LYS 108 HZ2 LYS 108 11.151 13.616 1.794 169 HZ3 LYS 108 HZ3 LYS 108 10.532 12.599 2.993 170 H ALA 109 HN ALA 109 13.502 10.757 -3.496 171 HA ALA 109 HA ALA 109 13.990 12.768 -5.552 172 HB1 ALA 109 HB1 ALA 109 14.971 10.513 -5.826 173 HB2 ALA 109 HB2 ALA 109 13.816 10.844 -7.119 174 HB3 ALA 109 HB3 ALA 109 13.363 9.790 -5.776 175 H LEU 110 HN LEU 110 12.316 14.115 -5.645 176 HA LEU 110 HA LEU 110 9.526 13.230 -5.497 177 HB2 LEU 110 HB2 LEU 110 10.568 16.067 -5.847 178 HB3 LEU 110 HB1 LEU 110 8.980 15.571 -5.283 179 HG LEU 110 HG LEU 110 11.596 15.240 -3.739 180 HD11 LEU 110 HD11 LEU 110 9.271 17.126 -3.223 181 HD12 LEU 110 HD12 LEU 110 10.855 17.583 -3.853 182 HD13 LEU 110 HD13 LEU 110 10.712 16.945 -2.217 183 HD21 LEU 110 HD21 LEU 110 10.048 13.399 -3.214 184 HD22 LEU 110 HD22 LEU 110 8.763 14.554 -2.859 185 HD23 LEU 110 HD23 LEU 110 10.203 14.492 -1.839 186 H CYS 111 HN CYS 111 8.113 14.679 -7.161 187 HA CYS 111 HA CYS 111 9.297 14.448 -9.879 188 HB2 CYS 111 HB2 CYS 111 7.169 13.999 -10.783 189 HB3 CYS 111 HB1 CYS 111 7.082 13.134 -9.249 190 H TRP 112 HN TRP 112 8.719 16.176 -11.378 191 HA TRP 112 HA TRP 112 9.092 18.769 -10.381 192 HB2 TRP 112 HB2 TRP 112 9.728 18.094 -12.672 193 HB3 TRP 112 HB1 TRP 112 8.033 17.907 -13.105 194 HD1 TRP 112 HD1 TRP 112 10.602 20.670 -12.244 195 HE1 TRP 112 HE1 TRP 112 9.769 22.900 -13.210 196 HE3 TRP 112 HE3 TRP 112 6.006 19.180 -13.905 197 HZ2 TRP 112 HZ2 TRP 112 7.472 23.913 -14.486 198 HZ3 TRP 112 HZ3 TRP 112 4.540 20.843 -14.979 199 HH2 TRP 112 HH2 TRP 112 5.266 23.163 -15.261 200 H VAL 113 HN VAL 113 6.117 16.991 -11.183 201 HA VAL 113 HA VAL 113 4.217 19.058 -11.103 202 HB VAL 113 HB VAL 113 3.831 16.157 -10.218 203 HG11 VAL 113 HG11 VAL 113 1.426 16.506 -10.738 204 HG12 VAL 113 HG12 VAL 113 1.747 18.212 -11.060 205 HG13 VAL 113 HG13 VAL 113 1.966 17.564 -9.432 206 HG21 VAL 113 HG21 VAL 113 3.026 15.757 -12.528 207 HG22 VAL 113 HG22 VAL 113 4.700 16.314 -12.522 208 HG23 VAL 113 HG23 VAL 113 3.403 17.431 -12.949 209 H CYS 114 HN CYS 114 5.548 17.117 -8.427 210 HA CYS 114 HA CYS 114 3.987 18.379 -6.371 211 HB2 CYS 114 HB2 CYS 114 6.417 16.566 -6.232 212 HB3 CYS 114 HB1 CYS 114 5.688 17.263 -4.788 213 H ALA 115 HN ALA 115 7.082 19.034 -7.899 214 HA ALA 115 HA ALA 115 8.152 20.867 -5.977 215 HB1 ALA 115 HB1 ALA 115 9.732 21.466 -7.767 216 HB2 ALA 115 HB2 ALA 115 8.734 20.623 -8.955 217 HB3 ALA 115 HB3 ALA 115 9.532 19.716 -7.671 218 H GLN 116 HN GLN 116 6.308 21.324 -8.997 219 HA GLN 116 HA GLN 116 6.309 24.198 -8.832 220 HB2 GLN 116 HB2 GLN 116 4.990 24.128 -10.914 221 HB3 GLN 116 HB1 GLN 116 6.408 23.098 -11.025 222 HG2 GLN 116 HG2 GLN 116 4.765 21.807 -12.056 223 HG3 GLN 116 HG1 GLN 116 4.778 21.153 -10.423 224 HE21 GLN 116 HE21 GLN 116 2.665 20.358 -10.559 225 HE22 GLN 116 HE22 GLN 116 1.280 21.385 -10.599 226 H SER 117 HN SER 117 4.422 21.800 -7.370 227 HA SER 117 HA SER 117 1.859 22.898 -7.173 228 HB2 SER 117 HB2 SER 117 2.368 20.665 -6.323 229 HB3 SER 117 HB1 SER 117 3.485 21.314 -5.125 230 HG SER 117 HG SER 117 0.710 21.235 -5.139 231 H ARG 118 HN ARG 118 0.983 24.506 -5.960 232 HA ARG 118 HA ARG 118 2.603 26.721 -5.301 233 HB2 ARG 118 HB2 ARG 118 -0.357 26.239 -4.736 234 HB3 ARG 118 HB1 ARG 118 0.449 27.804 -4.618 235 HG2 ARG 118 HG2 ARG 118 0.965 27.729 -7.030 236 HG3 ARG 118 HG1 ARG 118 0.177 26.156 -7.161 237 HD2 ARG 118 HD2 ARG 118 -1.982 27.174 -6.528 238 HD3 ARG 118 HD1 ARG 118 -1.196 28.752 -6.354 239 HE ARG 118 HE ARG 118 -0.554 28.069 -8.887 240 HH11 ARG 118 HH11 ARG 118 -3.680 28.108 -7.279 241 HH12 ARG 118 HH12 ARG 118 -4.542 28.516 -8.726 242 HH21 ARG 118 HH21 ARG 118 -1.689 28.612 -10.749 243 HH22 ARG 118 HH22 ARG 118 -3.413 28.812 -10.677 244 H LYS 119 HN LYS 119 3.731 27.033 -3.529 245 HA LYS 119 HA LYS 119 3.103 25.620 -1.013 246 HB2 LYS 119 HB2 LYS 119 5.736 26.545 -2.182 247 HB3 LYS 119 HB1 LYS 119 5.569 25.945 -0.527 248 HG2 LYS 119 HG2 LYS 119 4.737 23.784 -1.396 249 HG3 LYS 119 HG1 LYS 119 4.932 24.374 -3.054 250 HD2 LYS 119 HD2 LYS 119 7.340 24.656 -2.681 251 HD3 LYS 119 HD1 LYS 119 7.156 24.113 -1.012 252 HE2 LYS 119 HE2 LYS 119 8.031 22.326 -2.540 253 HE3 LYS 119 HE1 LYS 119 6.511 21.901 -1.750 254 HZ1 LYS 119 HZ1 LYS 119 6.519 21.309 -4.098 255 HZ2 LYS 119 HZ2 LYS 119 6.764 22.926 -4.530 256 HZ3 LYS 119 HZ3 LYS 119 5.323 22.459 -3.771 257 H HIS 120 HN HIS 120 3.703 26.615 0.931 258 HA HIS 120 HA HIS 120 3.179 29.350 1.437 259 HB2 HIS 120 HB2 HIS 120 4.507 28.734 3.674 260 HB3 HIS 120 HB1 HIS 120 2.942 27.997 3.356 261 HD1 HIS 120 HD1 HIS 120 6.643 27.122 2.968 262 HD2 HIS 120 HD2 HIS 120 2.922 25.319 3.412 263 HE1 HIS 120 HE1 HIS 120 7.051 24.626 2.967 264 H ARG 121 HN ARG 121 6.128 27.595 0.656 265 HA ARG 121 HA ARG 121 7.636 30.021 0.152 266 HB2 ARG 121 HB2 ARG 121 7.941 29.699 2.606 267 HB3 ARG 121 HB1 ARG 121 8.497 28.055 2.341 268 HG2 ARG 121 HG2 ARG 121 10.387 29.523 2.819 269 HG3 ARG 121 HG1 ARG 121 10.492 28.915 1.165 270 HD2 ARG 121 HD2 ARG 121 9.559 31.074 0.339 271 HD3 ARG 121 HD1 ARG 121 9.519 31.667 1.999 272 HE ARG 121 HE ARG 121 11.979 31.400 2.022 273 HH11 ARG 121 HH11 ARG 121 10.403 31.763 -1.073 274 HH12 ARG 121 HH12 ARG 121 11.799 32.452 -1.842 275 HH21 ARG 121 HH21 ARG 121 13.800 32.323 1.015 276 HH22 ARG 121 HH22 ARG 121 13.719 32.772 -0.660 277 H ASP 122 HN ASP 122 9.221 29.660 -1.370 278 HA ASP 122 HA ASP 122 9.540 27.150 -2.705 279 HB2 ASP 122 HB2 ASP 122 9.885 29.210 -3.962 280 HB3 ASP 122 HB1 ASP 122 11.134 29.748 -2.835 281 H HIS 123 HN HIS 123 11.273 25.690 -2.588 282 HA HIS 123 HA HIS 123 13.079 25.937 -0.249 283 HB2 HIS 123 HB2 HIS 123 11.472 23.452 -1.012 284 HB3 HIS 123 HB1 HIS 123 12.721 23.499 0.230 285 HD1 HIS 123 HD1 HIS 123 12.153 25.606 2.089 286 HD2 HIS 123 HD2 HIS 123 9.028 23.747 0.073 287 HE1 HIS 123 HE1 HIS 123 10.064 26.081 3.427 288 H ALA 124 HN ALA 124 14.910 24.425 -0.329 289 HA ALA 124 HA ALA 124 16.347 24.741 -2.781 290 HB1 ALA 124 HB1 ALA 124 18.215 23.727 -1.545 291 HB2 ALA 124 HB2 ALA 124 17.114 23.249 -0.250 292 HB3 ALA 124 HB3 ALA 124 17.410 24.959 -0.565 293 H MET 125 HN MET 125 15.510 23.537 -4.395 294 HA MET 125 HA MET 125 15.935 20.636 -4.306 295 HB2 MET 125 HB2 MET 125 13.775 20.262 -5.550 296 HB3 MET 125 HB1 MET 125 13.561 20.777 -3.888 297 HG2 MET 125 HG2 MET 125 12.959 23.026 -4.622 298 HG3 MET 125 HG1 MET 125 13.304 22.596 -6.296 299 HE1 MET 125 HE1 MET 125 9.808 20.596 -3.982 300 HE2 MET 125 HE2 MET 125 11.011 21.611 -3.182 301 HE3 MET 125 HE3 MET 125 11.473 20.037 -3.839 302 H VAL 126 HN VAL 126 16.927 19.903 -6.057 303 HA VAL 126 HA VAL 126 17.221 21.563 -8.497 304 HB VAL 126 HB VAL 126 19.352 20.238 -8.892 305 HG11 VAL 126 HG11 VAL 126 19.452 22.480 -7.869 306 HG12 VAL 126 HG12 VAL 126 20.713 21.439 -7.207 307 HG13 VAL 126 HG13 VAL 126 19.258 21.771 -6.263 308 HG21 VAL 126 HG21 VAL 126 18.825 18.225 -7.539 309 HG22 VAL 126 HG22 VAL 126 18.877 19.185 -6.062 310 HG23 VAL 126 HG23 VAL 126 20.350 18.941 -7.006 311 HA PRO 127 HA PRO 127 15.043 18.237 -10.659 312 HB2 PRO 127 HB2 PRO 127 15.804 18.724 -13.247 313 HB3 PRO 127 HB1 PRO 127 14.684 19.780 -12.374 314 HG2 PRO 127 HG2 PRO 127 17.650 20.120 -12.826 315 HG3 PRO 127 HG1 PRO 127 16.349 21.319 -13.005 316 HD2 PRO 127 HD2 PRO 127 17.920 21.201 -10.783 317 HD3 PRO 127 HD1 PRO 127 16.218 21.711 -10.705 318 H LEU 128 HN LEU 128 15.426 16.146 -11.388 319 HA LEU 128 HA LEU 128 18.094 15.064 -11.106 320 HB2 LEU 128 HB2 LEU 128 15.409 13.775 -11.690 321 HB3 LEU 128 HB1 LEU 128 16.904 12.852 -11.712 322 HG LEU 128 HG LEU 128 15.822 14.336 -9.272 323 HD11 LEU 128 HD11 LEU 128 15.334 12.099 -8.353 324 HD12 LEU 128 HD12 LEU 128 15.825 11.357 -9.879 325 HD13 LEU 128 HD13 LEU 128 14.407 12.410 -9.822 326 HD21 LEU 128 HD21 LEU 128 18.284 14.217 -9.253 327 HD22 LEU 128 HD22 LEU 128 18.223 12.475 -9.530 328 HD23 LEU 128 HD23 LEU 128 17.606 13.154 -8.021 329 H GLU 129 HN GLU 129 19.291 15.879 -12.737 330 HA GLU 129 HA GLU 129 18.609 15.261 -15.555 331 HB2 GLU 129 HB2 GLU 129 20.725 17.174 -14.430 332 HB3 GLU 129 HB1 GLU 129 20.290 16.997 -16.130 333 HG2 GLU 129 HG2 GLU 129 18.038 17.860 -15.659 334 HG3 GLU 129 HG1 GLU 129 18.432 18.016 -13.948 335 H GLU 130 HN GLU 130 19.310 13.163 -13.933 336 HA GLU 130 HA GLU 130 22.167 12.634 -14.037 337 HB2 GLU 130 HB2 GLU 130 21.575 10.534 -12.802 338 HB3 GLU 130 HB1 GLU 130 21.057 12.010 -12.014 339 HG2 GLU 130 HG2 GLU 130 19.220 10.624 -11.665 340 HG3 GLU 130 HG1 GLU 130 18.726 11.519 -13.098 Start of MODEL 13 1 H GLY 86 HN GLY 86 7.921 -2.653 -6.639 2 HA2 GLY 86 HA2 GLY 86 7.069 -1.022 -8.656 3 HA3 GLY 86 HA1 GLY 86 7.572 0.106 -7.403 4 H THR 87 HN THR 87 8.627 -2.362 -9.653 5 HA THR 87 HA THR 87 11.397 -2.388 -9.057 6 HB THR 87 HB THR 87 10.047 -2.986 -11.735 7 HG1 THR 87 HG1 THR 87 9.790 -4.239 -9.431 8 HG21 THR 87 HG21 THR 87 12.752 -3.885 -10.658 9 HG22 THR 87 HG22 THR 87 12.504 -2.717 -11.960 10 HG23 THR 87 HG23 THR 87 12.036 -4.409 -12.173 11 H GLN 88 HN GLN 88 12.561 -0.583 -9.069 12 HA GLN 88 HA GLN 88 13.325 1.487 -9.372 13 HB2 GLN 88 HB2 GLN 88 14.207 0.527 -11.490 14 HB3 GLN 88 HB1 GLN 88 12.735 1.002 -12.327 15 HG2 GLN 88 HG2 GLN 88 13.258 3.352 -12.062 16 HG3 GLN 88 HG1 GLN 88 14.606 2.981 -10.989 17 HE21 GLN 88 HE21 GLN 88 16.074 4.095 -12.302 18 HE22 GLN 88 HE22 GLN 88 16.603 3.482 -13.825 19 H GLY 89 HN GLY 89 11.537 2.178 -8.108 20 HA2 GLY 89 HA2 GLY 89 9.104 3.212 -9.274 21 HA3 GLY 89 HA1 GLY 89 9.619 3.336 -7.597 22 H GLU 90 HN GLU 90 10.564 4.540 -10.781 23 HA GLU 90 HA GLU 90 11.375 7.168 -9.760 24 HB2 GLU 90 HB2 GLU 90 12.182 7.492 -12.120 25 HB3 GLU 90 HB1 GLU 90 12.898 6.090 -11.336 26 HG2 GLU 90 HG2 GLU 90 11.446 4.574 -12.568 27 HG3 GLU 90 HG1 GLU 90 10.530 5.926 -13.234 28 H ARG 91 HN ARG 91 8.566 6.295 -9.759 29 HA ARG 91 HA ARG 91 7.359 8.334 -11.508 30 HB2 ARG 91 HB2 ARG 91 6.207 5.561 -10.922 31 HB3 ARG 91 HB1 ARG 91 5.388 6.837 -11.824 32 HG2 ARG 91 HG2 ARG 91 7.113 6.724 -13.573 33 HG3 ARG 91 HG1 ARG 91 7.962 5.462 -12.678 34 HD2 ARG 91 HD2 ARG 91 5.956 4.005 -12.892 35 HD3 ARG 91 HD1 ARG 91 5.164 5.269 -13.843 36 HE ARG 91 HE ARG 91 7.672 4.592 -14.988 37 HH11 ARG 91 HH11 ARG 91 4.412 3.321 -14.647 38 HH12 ARG 91 HH12 ARG 91 4.499 2.389 -16.109 39 HH21 ARG 91 HH21 ARG 91 7.762 3.344 -16.906 40 HH22 ARG 91 HH22 ARG 91 6.378 2.408 -17.380 41 H CYS 92 HN CYS 92 6.177 9.748 -10.443 42 HA CYS 92 HA CYS 92 5.736 9.709 -7.627 43 HB2 CYS 92 HB2 CYS 92 5.941 11.734 -9.336 44 HB3 CYS 92 HB1 CYS 92 4.198 11.503 -9.546 45 H ALA 93 HN ALA 93 4.333 8.232 -6.784 46 HA ALA 93 HA ALA 93 2.553 6.677 -8.271 47 HB1 ALA 93 HB1 ALA 93 3.623 5.940 -6.179 48 HB2 ALA 93 HB2 ALA 93 1.877 5.701 -6.130 49 HB3 ALA 93 HB3 ALA 93 2.603 7.054 -5.259 50 H VAL 94 HN VAL 94 1.942 9.719 -6.700 51 HA VAL 94 HA VAL 94 -0.821 9.643 -6.265 52 HB VAL 94 HB VAL 94 0.804 12.088 -7.120 53 HG11 VAL 94 HG11 VAL 94 -1.812 11.923 -5.569 54 HG12 VAL 94 HG12 VAL 94 -1.615 12.491 -7.227 55 HG13 VAL 94 HG13 VAL 94 -0.903 13.401 -5.899 56 HG21 VAL 94 HG21 VAL 94 0.344 11.022 -4.301 57 HG22 VAL 94 HG22 VAL 94 1.171 12.528 -4.717 58 HG23 VAL 94 HG23 VAL 94 1.868 10.982 -5.195 59 H HIS 95 HN HIS 95 1.014 10.475 -9.176 60 HA HIS 95 HA HIS 95 -1.461 11.060 -10.710 61 HB2 HIS 95 HB2 HIS 95 1.254 11.705 -11.873 62 HB3 HIS 95 HB1 HIS 95 -0.252 12.580 -12.016 63 HD1 HIS 95 HD1 HIS 95 -0.158 14.819 -10.827 64 HD2 HIS 95 HD2 HIS 95 2.372 11.992 -9.159 65 HE1 HIS 95 HE1 HIS 95 1.215 16.020 -9.060 66 H GLY 96 HN GLY 96 1.516 9.212 -10.580 67 HA2 GLY 96 HA2 GLY 96 1.951 7.106 -11.584 68 HA3 GLY 96 HA1 GLY 96 0.746 7.452 -12.819 69 H GLU 97 HN GLU 97 2.303 10.290 -12.543 70 HA GLU 97 HA GLU 97 3.756 10.118 -14.987 71 HB2 GLU 97 HB2 GLU 97 4.400 12.440 -14.573 72 HB3 GLU 97 HB1 GLU 97 2.716 12.247 -14.090 73 HG2 GLU 97 HG2 GLU 97 3.324 12.202 -11.748 74 HG3 GLU 97 HG1 GLU 97 5.035 12.150 -12.129 75 H ARG 98 HN ARG 98 6.115 10.620 -15.211 76 HA ARG 98 HA ARG 98 7.805 9.240 -13.342 77 HB2 ARG 98 HB2 ARG 98 8.329 10.860 -15.846 78 HB3 ARG 98 HB1 ARG 98 9.670 10.478 -14.772 79 HG2 ARG 98 HG2 ARG 98 9.575 8.837 -16.540 80 HG3 ARG 98 HG1 ARG 98 9.185 8.081 -14.990 81 HD2 ARG 98 HD2 ARG 98 7.721 7.269 -16.816 82 HD3 ARG 98 HD1 ARG 98 6.804 8.080 -15.544 83 HE ARG 98 HE ARG 98 7.434 9.951 -17.562 84 HH11 ARG 98 HH11 ARG 98 5.333 7.162 -17.082 85 HH12 ARG 98 HH12 ARG 98 4.156 7.709 -18.228 86 HH21 ARG 98 HH21 ARG 98 5.867 10.641 -19.049 87 HH22 ARG 98 HH22 ARG 98 4.468 9.662 -19.345 88 H LEU 99 HN LEU 99 8.922 10.015 -11.681 89 HA LEU 99 HA LEU 99 8.526 12.815 -10.886 90 HB2 LEU 99 HB2 LEU 99 9.095 12.166 -8.646 91 HB3 LEU 99 HB1 LEU 99 7.938 11.018 -9.267 92 HG LEU 99 HG LEU 99 10.036 9.480 -9.682 93 HD11 LEU 99 HD11 LEU 99 11.225 11.312 -7.583 94 HD12 LEU 99 HD12 LEU 99 11.783 11.142 -9.244 95 HD13 LEU 99 HD13 LEU 99 11.910 9.777 -8.137 96 HD21 LEU 99 HD21 LEU 99 9.082 9.985 -6.844 97 HD22 LEU 99 HD22 LEU 99 9.864 8.514 -7.441 98 HD23 LEU 99 HD23 LEU 99 8.276 8.974 -8.047 99 H HIS 100 HN HIS 100 10.128 14.272 -11.119 100 HA HIS 100 HA HIS 100 12.922 13.440 -10.832 101 HB2 HIS 100 HB2 HIS 100 11.887 14.948 -13.263 102 HB3 HIS 100 HB1 HIS 100 13.585 14.864 -12.833 103 HD1 HIS 100 HD1 HIS 100 14.651 12.371 -12.905 104 HD2 HIS 100 HD2 HIS 100 10.981 12.894 -14.803 105 HE1 HIS 100 HE1 HIS 100 14.339 10.375 -14.422 106 H LEU 101 HN LEU 101 12.913 14.514 -8.913 107 HA LEU 101 HA LEU 101 13.783 17.215 -8.984 108 HB2 LEU 101 HB2 LEU 101 11.200 17.434 -8.992 109 HB3 LEU 101 HB1 LEU 101 11.209 16.727 -7.394 110 HG LEU 101 HG LEU 101 10.924 19.222 -7.439 111 HD11 LEU 101 HD11 LEU 101 12.418 19.752 -5.602 112 HD12 LEU 101 HD12 LEU 101 13.397 18.329 -5.955 113 HD13 LEU 101 HD13 LEU 101 11.731 18.140 -5.406 114 HD21 LEU 101 HD21 LEU 101 13.802 19.288 -8.399 115 HD22 LEU 101 HD22 LEU 101 12.833 20.681 -7.915 116 HD23 LEU 101 HD23 LEU 101 12.377 19.750 -9.338 117 H PHE 102 HN PHE 102 15.490 17.020 -7.524 118 HA PHE 102 HA PHE 102 15.227 15.174 -5.254 119 HB2 PHE 102 HB2 PHE 102 17.319 15.045 -6.618 120 HB3 PHE 102 HB1 PHE 102 17.697 16.708 -6.186 121 HD1 PHE 102 HD1 PHE 102 18.992 17.119 -4.215 122 HD2 PHE 102 HD2 PHE 102 16.954 13.376 -4.626 123 HE1 PHE 102 HE1 PHE 102 20.036 16.313 -2.141 124 HE2 PHE 102 HE2 PHE 102 18.023 12.578 -2.554 125 HZ PHE 102 HZ PHE 102 19.557 14.047 -1.308 126 H CYS 103 HN CYS 103 14.312 16.040 -3.531 127 HA CYS 103 HA CYS 103 14.483 18.901 -2.908 128 HB2 CYS 103 HB2 CYS 103 12.326 17.590 -2.684 129 HB3 CYS 103 HB1 CYS 103 13.070 16.652 -1.395 130 HG CYS 103 HG CYS 103 11.390 18.433 -0.174 131 H GLU 104 HN GLU 104 16.378 19.493 -1.917 132 HA GLU 104 HA GLU 104 18.111 17.576 -0.662 133 HB2 GLU 104 HB2 GLU 104 18.329 20.604 -0.816 134 HB3 GLU 104 HB1 GLU 104 19.612 19.526 -0.269 135 HG2 GLU 104 HG2 GLU 104 19.653 18.477 -2.542 136 HG3 GLU 104 HG1 GLU 104 18.414 19.616 -3.066 137 H LYS 105 HN LYS 105 15.627 19.670 0.548 138 HA LYS 105 HA LYS 105 16.536 19.645 3.327 139 HB2 LYS 105 HB2 LYS 105 14.386 20.845 3.789 140 HB3 LYS 105 HB1 LYS 105 15.365 21.630 2.556 141 HG2 LYS 105 HG2 LYS 105 13.928 20.525 0.811 142 HG3 LYS 105 HG1 LYS 105 12.877 19.954 2.112 143 HD2 LYS 105 HD2 LYS 105 12.293 22.231 2.722 144 HD3 LYS 105 HD1 LYS 105 13.501 22.898 1.616 145 HE2 LYS 105 HE2 LYS 105 11.245 23.073 0.656 146 HE3 LYS 105 HE1 LYS 105 12.253 21.996 -0.302 147 HZ1 LYS 105 HZ1 LYS 105 10.199 21.174 1.667 148 HZ2 LYS 105 HZ2 LYS 105 11.192 20.113 0.813 149 HZ3 LYS 105 HZ3 LYS 105 10.078 21.074 -0.012 150 H ASP 106 HN ASP 106 14.182 17.957 1.317 151 HA ASP 106 HA ASP 106 13.036 16.447 3.550 152 HB2 ASP 106 HB2 ASP 106 11.652 17.319 1.618 153 HB3 ASP 106 HB1 ASP 106 12.498 16.205 0.552 154 H GLY 107 HN GLY 107 15.389 16.120 1.051 155 HA2 GLY 107 HA2 GLY 107 17.007 14.600 0.564 156 HA3 GLY 107 HA1 GLY 107 16.618 13.784 2.075 157 H LYS 108 HN LYS 108 14.038 14.208 -0.162 158 HA LYS 108 HA LYS 108 14.240 11.405 -1.110 159 HB2 LYS 108 HB2 LYS 108 11.734 12.916 -0.260 160 HB3 LYS 108 HB1 LYS 108 11.725 11.338 -1.032 161 HG2 LYS 108 HG2 LYS 108 13.214 11.692 1.578 162 HG3 LYS 108 HG1 LYS 108 11.457 11.566 1.590 163 HD2 LYS 108 HD2 LYS 108 12.258 9.350 1.969 164 HD3 LYS 108 HD1 LYS 108 11.697 9.376 0.302 165 HE2 LYS 108 HE2 LYS 108 13.786 8.125 0.464 166 HE3 LYS 108 HE1 LYS 108 14.052 9.596 -0.468 167 HZ1 LYS 108 HZ1 LYS 108 15.026 10.623 1.476 168 HZ2 LYS 108 HZ2 LYS 108 15.830 9.183 1.115 169 HZ3 LYS 108 HZ3 LYS 108 14.733 9.237 2.396 170 H ALA 109 HN ALA 109 12.671 11.074 -2.978 171 HA ALA 109 HA ALA 109 13.395 13.029 -5.054 172 HB1 ALA 109 HB1 ALA 109 12.639 10.088 -5.253 173 HB2 ALA 109 HB2 ALA 109 14.280 10.736 -5.245 174 HB3 ALA 109 HB3 ALA 109 13.196 11.113 -6.581 175 H LEU 110 HN LEU 110 11.793 14.426 -5.405 176 HA LEU 110 HA LEU 110 8.951 13.645 -5.450 177 HB2 LEU 110 HB2 LEU 110 10.224 16.414 -5.533 178 HB3 LEU 110 HB1 LEU 110 8.506 16.068 -5.375 179 HG LEU 110 HG LEU 110 10.667 15.498 -3.308 180 HD11 LEU 110 HD11 LEU 110 10.065 17.860 -3.428 181 HD12 LEU 110 HD12 LEU 110 9.468 17.157 -1.928 182 HD13 LEU 110 HD13 LEU 110 8.352 17.466 -3.261 183 HD21 LEU 110 HD21 LEU 110 7.698 14.849 -3.162 184 HD22 LEU 110 HD22 LEU 110 8.846 14.715 -1.828 185 HD23 LEU 110 HD23 LEU 110 9.027 13.687 -3.244 186 H CYS 111 HN CYS 111 7.703 15.153 -7.125 187 HA CYS 111 HA CYS 111 9.074 15.158 -9.760 188 HB2 CYS 111 HB2 CYS 111 7.026 14.762 -10.855 189 HB3 CYS 111 HB1 CYS 111 6.860 13.755 -9.425 190 H TRP 112 HN TRP 112 8.447 16.990 -11.178 191 HA TRP 112 HA TRP 112 8.912 19.497 -10.088 192 HB2 TRP 112 HB2 TRP 112 9.296 19.008 -12.445 193 HB3 TRP 112 HB1 TRP 112 7.582 18.716 -12.714 194 HD1 TRP 112 HD1 TRP 112 9.782 21.738 -11.557 195 HE1 TRP 112 HE1 TRP 112 8.824 23.871 -12.623 196 HE3 TRP 112 HE3 TRP 112 5.782 19.701 -14.018 197 HZ2 TRP 112 HZ2 TRP 112 6.678 24.600 -14.293 198 HZ3 TRP 112 HZ3 TRP 112 4.323 21.191 -15.333 199 HH2 TRP 112 HH2 TRP 112 4.763 23.594 -15.466 200 H VAL 113 HN VAL 113 5.805 18.013 -10.953 201 HA VAL 113 HA VAL 113 4.120 20.229 -10.611 202 HB VAL 113 HB VAL 113 3.417 17.271 -10.302 203 HG11 VAL 113 HG11 VAL 113 1.583 19.642 -10.861 204 HG12 VAL 113 HG12 VAL 113 1.625 18.681 -9.382 205 HG13 VAL 113 HG13 VAL 113 1.096 17.940 -10.890 206 HG21 VAL 113 HG21 VAL 113 2.770 17.379 -12.697 207 HG22 VAL 113 HG22 VAL 113 4.481 17.748 -12.477 208 HG23 VAL 113 HG23 VAL 113 3.332 19.052 -12.778 209 H CYS 114 HN CYS 114 5.162 17.768 -8.236 210 HA CYS 114 HA CYS 114 3.526 18.796 -6.080 211 HB2 CYS 114 HB2 CYS 114 5.787 16.767 -6.077 212 HB3 CYS 114 HB1 CYS 114 4.940 17.251 -4.612 213 H ALA 115 HN ALA 115 6.723 19.489 -7.307 214 HA ALA 115 HA ALA 115 7.762 20.814 -4.963 215 HB1 ALA 115 HB1 ALA 115 9.248 19.812 -6.663 216 HB2 ALA 115 HB2 ALA 115 9.587 21.531 -6.457 217 HB3 ALA 115 HB3 ALA 115 8.672 20.975 -7.861 218 H GLN 116 HN GLN 116 6.016 21.786 -7.867 219 HA GLN 116 HA GLN 116 6.155 24.650 -7.217 220 HB2 GLN 116 HB2 GLN 116 4.925 23.283 -9.652 221 HB3 GLN 116 HB1 GLN 116 5.190 25.016 -9.449 222 HG2 GLN 116 HG2 GLN 116 7.336 22.881 -9.650 223 HG3 GLN 116 HG1 GLN 116 6.889 24.026 -10.911 224 HE21 GLN 116 HE21 GLN 116 9.443 23.522 -9.519 225 HE22 GLN 116 HE22 GLN 116 9.937 25.053 -8.895 226 H SER 117 HN SER 117 4.224 22.124 -6.343 227 HA SER 117 HA SER 117 1.571 23.107 -6.706 228 HB2 SER 117 HB2 SER 117 2.154 20.697 -6.324 229 HB3 SER 117 HB1 SER 117 2.606 21.089 -4.668 230 HG SER 117 HG SER 117 0.354 20.258 -5.251 231 H ARG 118 HN ARG 118 0.238 23.068 -4.384 232 HA ARG 118 HA ARG 118 0.652 25.639 -3.271 233 HB2 ARG 118 HB2 ARG 118 -1.104 23.459 -2.091 234 HB3 ARG 118 HB1 ARG 118 -1.315 25.202 -1.946 235 HG2 ARG 118 HG2 ARG 118 -1.690 23.535 -4.462 236 HG3 ARG 118 HG1 ARG 118 -2.967 24.243 -3.473 237 HD2 ARG 118 HD2 ARG 118 -2.115 26.510 -4.049 238 HD3 ARG 118 HD1 ARG 118 -0.901 25.764 -5.099 239 HE ARG 118 HE ARG 118 -3.323 24.749 -5.944 240 HH11 ARG 118 HH11 ARG 118 -1.908 27.979 -5.749 241 HH12 ARG 118 HH12 ARG 118 -2.876 28.588 -7.055 242 HH21 ARG 118 HH21 ARG 118 -4.555 25.574 -7.633 243 HH22 ARG 118 HH22 ARG 118 -4.377 27.235 -8.107 244 H LYS 119 HN LYS 119 2.244 22.784 -2.583 245 HA LYS 119 HA LYS 119 2.716 22.674 0.130 246 HB2 LYS 119 HB2 LYS 119 4.713 22.154 -2.121 247 HB3 LYS 119 HB1 LYS 119 4.858 21.558 -0.470 248 HG2 LYS 119 HG2 LYS 119 2.756 20.754 -2.510 249 HG3 LYS 119 HG1 LYS 119 4.132 19.785 -1.963 250 HD2 LYS 119 HD2 LYS 119 3.150 19.857 0.365 251 HD3 LYS 119 HD1 LYS 119 1.726 20.649 -0.314 252 HE2 LYS 119 HE2 LYS 119 1.392 18.654 -1.789 253 HE3 LYS 119 HE1 LYS 119 2.750 17.873 -0.972 254 HZ1 LYS 119 HZ1 LYS 119 1.533 18.010 1.103 255 HZ2 LYS 119 HZ2 LYS 119 0.615 17.188 -0.053 256 HZ3 LYS 119 HZ3 LYS 119 0.247 18.791 0.339 257 H HIS 120 HN HIS 120 4.940 24.197 -2.229 258 HA HIS 120 HA HIS 120 5.698 26.470 -0.717 259 HB2 HIS 120 HB2 HIS 120 8.031 25.629 -0.046 260 HB3 HIS 120 HB1 HIS 120 6.707 24.954 0.890 261 HD1 HIS 120 HD1 HIS 120 6.324 22.430 0.763 262 HD2 HIS 120 HD2 HIS 120 9.309 23.759 -1.813 263 HE1 HIS 120 HE1 HIS 120 7.411 20.358 -0.180 264 H ARG 121 HN ARG 121 8.052 27.181 -1.553 265 HA ARG 121 HA ARG 121 8.239 26.689 -4.459 266 HB2 ARG 121 HB2 ARG 121 8.191 29.073 -3.667 267 HB3 ARG 121 HB1 ARG 121 9.656 28.789 -2.736 268 HG2 ARG 121 HG2 ARG 121 10.195 29.948 -4.827 269 HG3 ARG 121 HG1 ARG 121 10.907 28.331 -4.828 270 HD2 ARG 121 HD2 ARG 121 8.810 27.583 -6.136 271 HD3 ARG 121 HD1 ARG 121 8.480 29.306 -6.362 272 HE ARG 121 HE ARG 121 11.038 28.084 -7.219 273 HH11 ARG 121 HH11 ARG 121 8.234 30.044 -7.993 274 HH12 ARG 121 HH12 ARG 121 8.645 30.193 -9.669 275 HH21 ARG 121 HH21 ARG 121 11.587 28.301 -9.422 276 HH22 ARG 121 HH22 ARG 121 10.564 29.227 -10.478 277 H ASP 122 HN ASP 122 10.161 25.942 -5.395 278 HA ASP 122 HA ASP 122 12.050 24.495 -3.732 279 HB2 ASP 122 HB2 ASP 122 12.943 23.626 -5.797 280 HB3 ASP 122 HB1 ASP 122 11.195 23.590 -5.918 281 H HIS 123 HN HIS 123 13.484 25.753 -2.655 282 HA HIS 123 HA HIS 123 14.818 28.034 -3.973 283 HB2 HIS 123 HB2 HIS 123 14.830 27.085 -1.073 284 HB3 HIS 123 HB1 HIS 123 15.869 28.380 -1.664 285 HD1 HIS 123 HD1 HIS 123 14.911 30.638 -1.216 286 HD2 HIS 123 HD2 HIS 123 11.944 27.773 -1.761 287 HE1 HIS 123 HE1 HIS 123 12.700 31.832 -0.903 288 H ALA 124 HN ALA 124 15.889 25.291 -1.921 289 HA ALA 124 HA ALA 124 18.215 24.887 -3.728 290 HB1 ALA 124 HB1 ALA 124 19.387 23.938 -1.766 291 HB2 ALA 124 HB2 ALA 124 17.983 24.282 -0.752 292 HB3 ALA 124 HB3 ALA 124 18.893 25.609 -1.473 293 H MET 125 HN MET 125 16.149 23.825 -4.756 294 HA MET 125 HA MET 125 16.230 20.912 -4.174 295 HB2 MET 125 HB2 MET 125 13.772 22.565 -4.962 296 HB3 MET 125 HB1 MET 125 13.813 20.811 -4.872 297 HG2 MET 125 HG2 MET 125 13.973 20.826 -2.514 298 HG3 MET 125 HG1 MET 125 14.442 22.522 -2.464 299 HE1 MET 125 HE1 MET 125 11.400 20.022 -3.040 300 HE2 MET 125 HE2 MET 125 11.404 20.941 -4.548 301 HE3 MET 125 HE3 MET 125 10.098 21.162 -3.385 302 H VAL 126 HN VAL 126 17.362 20.154 -5.795 303 HA VAL 126 HA VAL 126 17.519 21.522 -8.384 304 HB VAL 126 HB VAL 126 19.509 20.090 -8.766 305 HG11 VAL 126 HG11 VAL 126 19.567 21.400 -6.016 306 HG12 VAL 126 HG12 VAL 126 19.830 22.215 -7.558 307 HG13 VAL 126 HG13 VAL 126 20.981 21.002 -6.996 308 HG21 VAL 126 HG21 VAL 126 18.878 18.827 -6.061 309 HG22 VAL 126 HG22 VAL 126 20.346 18.544 -6.999 310 HG23 VAL 126 HG23 VAL 126 18.784 18.028 -7.634 311 HA PRO 127 HA PRO 127 15.162 18.232 -10.457 312 HB2 PRO 127 HB2 PRO 127 16.216 18.182 -12.964 313 HB3 PRO 127 HB1 PRO 127 15.286 19.567 -12.372 314 HG2 PRO 127 HG2 PRO 127 18.277 19.221 -12.538 315 HG3 PRO 127 HG1 PRO 127 17.287 20.616 -13.018 316 HD2 PRO 127 HD2 PRO 127 18.621 20.487 -10.624 317 HD3 PRO 127 HD1 PRO 127 17.110 21.398 -10.834 318 H LEU 128 HN LEU 128 15.408 16.062 -11.591 319 HA LEU 128 HA LEU 128 17.771 14.594 -10.561 320 HB2 LEU 128 HB2 LEU 128 14.848 13.894 -10.609 321 HB3 LEU 128 HB1 LEU 128 15.999 12.581 -10.761 322 HG LEU 128 HG LEU 128 15.888 14.528 -8.425 323 HD11 LEU 128 HD11 LEU 128 14.960 11.649 -8.576 324 HD12 LEU 128 HD12 LEU 128 13.928 13.075 -8.442 325 HD13 LEU 128 HD13 LEU 128 15.010 12.647 -7.119 326 HD21 LEU 128 HD21 LEU 128 17.490 13.000 -7.339 327 HD22 LEU 128 HD22 LEU 128 18.170 13.688 -8.809 328 HD23 LEU 128 HD23 LEU 128 17.578 12.024 -8.810 329 H GLU 129 HN GLU 129 19.091 14.153 -12.153 330 HA GLU 129 HA GLU 129 18.152 12.414 -14.307 331 HB2 GLU 129 HB2 GLU 129 19.727 13.536 -15.924 332 HB3 GLU 129 HB1 GLU 129 18.333 14.514 -15.478 333 HG2 GLU 129 HG2 GLU 129 19.680 15.908 -14.028 334 HG3 GLU 129 HG1 GLU 129 21.077 14.849 -14.220 335 H GLU 130 HN GLU 130 18.948 11.314 -12.211 336 HA GLU 130 HA GLU 130 21.766 11.057 -11.745 337 HB2 GLU 130 HB2 GLU 130 19.717 10.671 -10.106 338 HB3 GLU 130 HB1 GLU 130 19.689 9.048 -10.775 339 HG2 GLU 130 HG2 GLU 130 22.045 10.329 -9.336 340 HG3 GLU 130 HG1 GLU 130 20.905 9.200 -8.617 Start of MODEL 14 1 H GLY 86 HN GLY 86 8.844 2.423 -2.009 2 HA2 GLY 86 HA2 GLY 86 7.238 1.976 -4.168 3 HA3 GLY 86 HA1 GLY 86 7.354 3.732 -4.101 4 H THR 87 HN THR 87 8.910 0.821 -4.956 5 HA THR 87 HA THR 87 11.235 2.280 -6.059 6 HB THR 87 HB THR 87 12.026 1.190 -4.005 7 HG1 THR 87 HG1 THR 87 13.015 0.627 -6.465 8 HG21 THR 87 HG21 THR 87 12.012 -1.260 -3.710 9 HG22 THR 87 HG22 THR 87 11.065 -1.442 -5.188 10 HG23 THR 87 HG23 THR 87 10.368 -0.623 -3.789 11 H GLN 88 HN GLN 88 8.551 0.927 -6.909 12 HA GLN 88 HA GLN 88 9.189 -1.087 -8.824 13 HB2 GLN 88 HB2 GLN 88 6.906 -0.890 -9.583 14 HB3 GLN 88 HB1 GLN 88 6.911 -0.766 -7.832 15 HG2 GLN 88 HG2 GLN 88 6.692 1.632 -9.696 16 HG3 GLN 88 HG1 GLN 88 5.312 0.782 -9.010 17 HE21 GLN 88 HE21 GLN 88 6.242 3.582 -8.693 18 HE22 GLN 88 HE22 GLN 88 6.370 3.828 -6.991 19 H GLY 89 HN GLY 89 9.536 2.319 -8.891 20 HA2 GLY 89 HA2 GLY 89 10.929 2.490 -11.271 21 HA3 GLY 89 HA1 GLY 89 9.252 2.841 -11.677 22 H GLU 90 HN GLU 90 10.648 4.864 -12.268 23 HA GLU 90 HA GLU 90 11.158 6.708 -10.043 24 HB2 GLU 90 HB2 GLU 90 12.351 8.073 -11.632 25 HB3 GLU 90 HB1 GLU 90 12.825 6.410 -11.929 26 HG2 GLU 90 HG2 GLU 90 10.951 8.110 -13.624 27 HG3 GLU 90 HG1 GLU 90 12.590 7.621 -14.037 28 H ARG 91 HN ARG 91 8.453 6.086 -10.309 29 HA ARG 91 HA ARG 91 7.258 8.498 -11.558 30 HB2 ARG 91 HB2 ARG 91 6.021 5.756 -11.038 31 HB3 ARG 91 HB1 ARG 91 5.106 7.160 -11.585 32 HG2 ARG 91 HG2 ARG 91 6.424 7.266 -13.645 33 HG3 ARG 91 HG1 ARG 91 7.423 5.910 -13.112 34 HD2 ARG 91 HD2 ARG 91 5.484 4.413 -13.214 35 HD3 ARG 91 HD1 ARG 91 4.430 5.768 -13.619 36 HE ARG 91 HE ARG 91 5.297 5.827 -15.774 37 HH11 ARG 91 HH11 ARG 91 6.925 3.343 -13.917 38 HH12 ARG 91 HH12 ARG 91 7.641 2.607 -15.311 39 HH21 ARG 91 HH21 ARG 91 6.219 4.826 -17.594 40 HH22 ARG 91 HH22 ARG 91 7.233 3.435 -17.386 41 H CYS 92 HN CYS 92 6.231 9.905 -10.373 42 HA CYS 92 HA CYS 92 6.396 10.061 -7.577 43 HB2 CYS 92 HB2 CYS 92 6.023 11.881 -9.538 44 HB3 CYS 92 HB1 CYS 92 4.335 11.705 -9.054 45 H ALA 93 HN ALA 93 5.312 8.676 -6.253 46 HA ALA 93 HA ALA 93 3.334 6.911 -7.155 47 HB1 ALA 93 HB1 ALA 93 3.353 6.035 -4.877 48 HB2 ALA 93 HB2 ALA 93 4.194 7.478 -4.306 49 HB3 ALA 93 HB3 ALA 93 4.992 6.375 -5.432 50 H VAL 94 HN VAL 94 2.862 10.056 -5.839 51 HA VAL 94 HA VAL 94 0.236 9.690 -4.757 52 HB VAL 94 HB VAL 94 1.694 12.229 -5.616 53 HG11 VAL 94 HG11 VAL 94 0.062 13.473 -4.206 54 HG12 VAL 94 HG12 VAL 94 -0.855 11.981 -3.964 55 HG13 VAL 94 HG13 VAL 94 -0.711 12.683 -5.578 56 HG21 VAL 94 HG21 VAL 94 2.851 11.039 -3.801 57 HG22 VAL 94 HG22 VAL 94 1.368 10.992 -2.848 58 HG23 VAL 94 HG23 VAL 94 2.147 12.538 -3.193 59 H HIS 95 HN HIS 95 1.474 10.782 -7.941 60 HA HIS 95 HA HIS 95 -1.293 11.225 -8.912 61 HB2 HIS 95 HB2 HIS 95 0.982 11.921 -10.741 62 HB3 HIS 95 HB1 HIS 95 -0.483 12.819 -10.392 63 HD1 HIS 95 HD1 HIS 95 -0.146 13.581 -7.472 64 HD2 HIS 95 HD2 HIS 95 2.983 13.546 -10.198 65 HE1 HIS 95 HE1 HIS 95 1.658 15.075 -6.518 66 H GLY 96 HN GLY 96 1.632 9.381 -9.515 67 HA2 GLY 96 HA2 GLY 96 1.816 7.348 -10.713 68 HA3 GLY 96 HA1 GLY 96 0.346 7.734 -11.602 69 H GLU 97 HN GLU 97 1.766 10.580 -11.740 70 HA GLU 97 HA GLU 97 2.942 10.300 -14.349 71 HB2 GLU 97 HB2 GLU 97 2.965 12.690 -12.440 72 HB3 GLU 97 HB1 GLU 97 3.421 12.741 -14.141 73 HG2 GLU 97 HG2 GLU 97 0.654 12.155 -13.039 74 HG3 GLU 97 HG1 GLU 97 1.184 13.661 -13.789 75 H ARG 98 HN ARG 98 5.131 10.515 -14.921 76 HA ARG 98 HA ARG 98 7.062 9.383 -13.217 77 HB2 ARG 98 HB2 ARG 98 7.143 9.252 -15.700 78 HB3 ARG 98 HB1 ARG 98 7.498 10.975 -15.771 79 HG2 ARG 98 HG2 ARG 98 9.643 10.574 -14.579 80 HG3 ARG 98 HG1 ARG 98 9.287 8.848 -14.525 81 HD2 ARG 98 HD2 ARG 98 10.871 9.381 -16.335 82 HD3 ARG 98 HD1 ARG 98 9.350 8.757 -16.994 83 HE ARG 98 HE ARG 98 9.518 11.644 -16.798 84 HH11 ARG 98 HH11 ARG 98 10.092 8.901 -18.922 85 HH12 ARG 98 HH12 ARG 98 10.004 9.858 -20.364 86 HH21 ARG 98 HH21 ARG 98 9.411 12.864 -18.684 87 HH22 ARG 98 HH22 ARG 98 9.631 12.103 -20.228 88 H LEU 99 HN LEU 99 8.872 10.302 -12.171 89 HA LEU 99 HA LEU 99 8.587 13.135 -11.421 90 HB2 LEU 99 HB2 LEU 99 9.270 12.596 -9.213 91 HB3 LEU 99 HB1 LEU 99 8.093 11.395 -9.658 92 HG LEU 99 HG LEU 99 10.203 9.868 -10.136 93 HD11 LEU 99 HD11 LEU 99 11.956 11.535 -9.900 94 HD12 LEU 99 HD12 LEU 99 12.143 10.284 -8.675 95 HD13 LEU 99 HD13 LEU 99 11.469 11.856 -8.234 96 HD21 LEU 99 HD21 LEU 99 10.194 9.017 -7.844 97 HD22 LEU 99 HD22 LEU 99 8.559 9.403 -8.371 98 HD23 LEU 99 HD23 LEU 99 9.408 10.496 -7.278 99 H HIS 100 HN HIS 100 10.317 14.479 -11.618 100 HA HIS 100 HA HIS 100 13.033 13.420 -11.424 101 HB2 HIS 100 HB2 HIS 100 12.064 15.133 -13.747 102 HB3 HIS 100 HB1 HIS 100 13.757 15.054 -13.295 103 HD1 HIS 100 HD1 HIS 100 11.444 13.547 -15.586 104 HD2 HIS 100 HD2 HIS 100 14.707 12.192 -13.390 105 HE1 HIS 100 HE1 HIS 100 12.213 11.413 -16.695 106 H LEU 101 HN LEU 101 13.050 14.325 -9.388 107 HA LEU 101 HA LEU 101 14.122 16.961 -9.236 108 HB2 LEU 101 HB2 LEU 101 11.659 17.503 -9.160 109 HB3 LEU 101 HB1 LEU 101 11.516 16.502 -7.730 110 HG LEU 101 HG LEU 101 13.558 18.304 -7.032 111 HD11 LEU 101 HD11 LEU 101 11.479 19.896 -8.525 112 HD12 LEU 101 HD12 LEU 101 13.177 19.700 -8.955 113 HD13 LEU 101 HD13 LEU 101 12.742 20.550 -7.476 114 HD21 LEU 101 HD21 LEU 101 11.915 19.297 -5.490 115 HD22 LEU 101 HD22 LEU 101 11.875 17.535 -5.497 116 HD23 LEU 101 HD23 LEU 101 10.615 18.452 -6.338 117 H PHE 102 HN PHE 102 15.008 17.333 -7.056 118 HA PHE 102 HA PHE 102 14.985 15.072 -5.206 119 HB2 PHE 102 HB2 PHE 102 17.015 14.730 -6.556 120 HB3 PHE 102 HB1 PHE 102 17.493 16.408 -6.332 121 HD1 PHE 102 HD1 PHE 102 16.691 13.348 -4.281 122 HD2 PHE 102 HD2 PHE 102 19.082 16.885 -4.641 123 HE1 PHE 102 HE1 PHE 102 17.951 12.715 -2.265 124 HE2 PHE 102 HE2 PHE 102 20.335 16.234 -2.627 125 HZ PHE 102 HZ PHE 102 19.773 14.151 -1.437 126 H CYS 103 HN CYS 103 14.022 16.028 -3.506 127 HA CYS 103 HA CYS 103 14.478 18.622 -2.489 128 HB2 CYS 103 HB2 CYS 103 13.512 16.061 -1.144 129 HB3 CYS 103 HB1 CYS 103 13.515 17.637 -0.360 130 HG CYS 103 HG CYS 103 10.980 16.613 -1.505 131 H GLU 104 HN GLU 104 16.453 19.285 -1.932 132 HA GLU 104 HA GLU 104 18.610 17.589 -1.071 133 HB2 GLU 104 HB2 GLU 104 18.360 20.623 -1.027 134 HB3 GLU 104 HB1 GLU 104 19.866 19.707 -0.902 135 HG2 GLU 104 HG2 GLU 104 19.630 18.904 -3.196 136 HG3 GLU 104 HG1 GLU 104 18.028 19.633 -3.323 137 H LYS 105 HN LYS 105 16.234 19.641 0.490 138 HA LYS 105 HA LYS 105 17.548 19.747 3.076 139 HB2 LYS 105 HB2 LYS 105 15.595 21.058 3.778 140 HB3 LYS 105 HB1 LYS 105 16.234 21.656 2.252 141 HG2 LYS 105 HG2 LYS 105 14.421 20.417 1.048 142 HG3 LYS 105 HG1 LYS 105 13.744 19.952 2.612 143 HD2 LYS 105 HD2 LYS 105 14.052 22.805 1.565 144 HD3 LYS 105 HD1 LYS 105 12.543 21.896 1.676 145 HE2 LYS 105 HE2 LYS 105 14.265 22.762 4.034 146 HE3 LYS 105 HE1 LYS 105 12.756 23.518 3.526 147 HZ1 LYS 105 HZ1 LYS 105 13.122 20.796 4.613 148 HZ2 LYS 105 HZ2 LYS 105 11.675 21.339 3.934 149 HZ3 LYS 105 HZ3 LYS 105 12.294 22.088 5.315 150 H ASP 106 HN ASP 106 15.650 17.395 1.563 151 HA ASP 106 HA ASP 106 14.727 16.267 4.153 152 HB2 ASP 106 HB2 ASP 106 12.885 17.497 2.838 153 HB3 ASP 106 HB1 ASP 106 13.027 16.235 1.614 154 H GLY 107 HN GLY 107 15.882 15.759 0.900 155 HA2 GLY 107 HA2 GLY 107 17.089 14.046 0.003 156 HA3 GLY 107 HA1 GLY 107 16.952 13.167 1.523 157 H LYS 108 HN LYS 108 14.398 14.375 -0.604 158 HA LYS 108 HA LYS 108 13.488 11.605 -1.162 159 HB2 LYS 108 HB2 LYS 108 11.870 14.119 -0.568 160 HB3 LYS 108 HB1 LYS 108 11.148 12.705 -1.331 161 HG2 LYS 108 HG2 LYS 108 12.540 12.603 1.365 162 HG3 LYS 108 HG1 LYS 108 10.811 12.902 1.175 163 HD2 LYS 108 HD2 LYS 108 12.211 10.409 0.109 164 HD3 LYS 108 HD1 LYS 108 11.429 10.490 1.690 165 HE2 LYS 108 HE2 LYS 108 10.028 10.920 -0.985 166 HE3 LYS 108 HE1 LYS 108 9.954 9.448 -0.019 167 HZ1 LYS 108 HZ1 LYS 108 8.009 10.819 0.337 168 HZ2 LYS 108 HZ2 LYS 108 8.972 12.120 0.822 169 HZ3 LYS 108 HZ3 LYS 108 8.919 10.717 1.759 170 H ALA 109 HN ALA 109 12.548 11.235 -3.205 171 HA ALA 109 HA ALA 109 13.376 13.106 -5.334 172 HB1 ALA 109 HB1 ALA 109 14.263 10.804 -5.462 173 HB2 ALA 109 HB2 ALA 109 13.216 11.170 -6.833 174 HB3 ALA 109 HB3 ALA 109 12.619 10.166 -5.510 175 H LEU 110 HN LEU 110 11.789 14.512 -5.763 176 HA LEU 110 HA LEU 110 8.959 13.605 -5.953 177 HB2 LEU 110 HB2 LEU 110 10.021 16.447 -5.704 178 HB3 LEU 110 HB1 LEU 110 8.333 15.979 -5.759 179 HG LEU 110 HG LEU 110 10.293 15.426 -3.497 180 HD11 LEU 110 HD11 LEU 110 8.804 16.878 -2.168 181 HD12 LEU 110 HD12 LEU 110 7.807 17.173 -3.595 182 HD13 LEU 110 HD13 LEU 110 9.479 17.739 -3.551 183 HD21 LEU 110 HD21 LEU 110 8.821 13.487 -3.735 184 HD22 LEU 110 HD22 LEU 110 7.397 14.533 -3.739 185 HD23 LEU 110 HD23 LEU 110 8.395 14.399 -2.290 186 H CYS 111 HN CYS 111 7.787 15.264 -7.617 187 HA CYS 111 HA CYS 111 9.327 15.226 -10.152 188 HB2 CYS 111 HB2 CYS 111 7.210 15.296 -11.316 189 HB3 CYS 111 HB1 CYS 111 7.084 14.038 -10.090 190 H TRP 112 HN TRP 112 8.925 17.098 -11.607 191 HA TRP 112 HA TRP 112 9.401 19.616 -10.553 192 HB2 TRP 112 HB2 TRP 112 9.965 19.147 -12.839 193 HB3 TRP 112 HB1 TRP 112 8.316 18.697 -13.242 194 HD1 TRP 112 HD1 TRP 112 10.407 21.891 -12.448 195 HE1 TRP 112 HE1 TRP 112 9.226 23.901 -13.540 196 HE3 TRP 112 HE3 TRP 112 6.204 19.547 -14.175 197 HZ2 TRP 112 HZ2 TRP 112 6.855 24.429 -14.957 198 HZ3 TRP 112 HZ3 TRP 112 4.521 20.873 -15.384 199 HH2 TRP 112 HH2 TRP 112 4.842 23.266 -15.768 200 H VAL 113 HN VAL 113 6.273 18.099 -11.347 201 HA VAL 113 HA VAL 113 4.543 20.285 -11.007 202 HB VAL 113 HB VAL 113 3.951 17.352 -10.373 203 HG11 VAL 113 HG11 VAL 113 2.013 19.619 -10.991 204 HG12 VAL 113 HG12 VAL 113 2.215 18.820 -9.432 205 HG13 VAL 113 HG13 VAL 113 1.570 17.918 -10.802 206 HG21 VAL 113 HG21 VAL 113 3.586 18.879 -12.983 207 HG22 VAL 113 HG22 VAL 113 3.079 17.214 -12.689 208 HG23 VAL 113 HG23 VAL 113 4.792 17.628 -12.670 209 H CYS 114 HN CYS 114 5.946 18.101 -8.593 210 HA CYS 114 HA CYS 114 4.532 19.191 -6.332 211 HB2 CYS 114 HB2 CYS 114 6.923 17.345 -6.566 212 HB3 CYS 114 HB1 CYS 114 6.380 17.943 -5.002 213 H ALA 115 HN ALA 115 7.424 20.065 -8.078 214 HA ALA 115 HA ALA 115 8.337 22.021 -6.105 215 HB1 ALA 115 HB1 ALA 115 9.295 21.466 -8.935 216 HB2 ALA 115 HB2 ALA 115 9.975 20.779 -7.460 217 HB3 ALA 115 HB3 ALA 115 10.095 22.514 -7.758 218 H GLN 116 HN GLN 116 5.866 21.963 -8.379 219 HA GLN 116 HA GLN 116 5.808 24.929 -8.556 220 HB2 GLN 116 HB2 GLN 116 4.522 22.939 -10.470 221 HB3 GLN 116 HB1 GLN 116 4.435 24.695 -10.597 222 HG2 GLN 116 HG2 GLN 116 6.897 22.964 -10.902 223 HG3 GLN 116 HG1 GLN 116 6.054 23.838 -12.177 224 HE21 GLN 116 HE21 GLN 116 8.848 23.965 -11.329 225 HE22 GLN 116 HE22 GLN 116 9.166 25.613 -10.928 226 H SER 117 HN SER 117 4.767 22.757 -6.613 227 HA SER 117 HA SER 117 1.926 22.679 -6.761 228 HB2 SER 117 HB2 SER 117 3.257 20.889 -5.705 229 HB3 SER 117 HB1 SER 117 3.839 22.012 -4.479 230 HG SER 117 HG SER 117 1.174 21.124 -4.883 231 H ARG 118 HN ARG 118 0.506 23.415 -5.006 232 HA ARG 118 HA ARG 118 0.589 26.156 -4.367 233 HB2 ARG 118 HB2 ARG 118 -1.489 24.745 -4.459 234 HB3 ARG 118 HB1 ARG 118 -0.963 23.903 -3.012 235 HG2 ARG 118 HG2 ARG 118 -2.607 25.461 -2.295 236 HG3 ARG 118 HG1 ARG 118 -1.060 26.145 -1.795 237 HD2 ARG 118 HD2 ARG 118 -2.498 27.893 -2.721 238 HD3 ARG 118 HD1 ARG 118 -1.101 27.651 -3.771 239 HE ARG 118 HE ARG 118 -2.888 26.048 -4.945 240 HH11 ARG 118 HH11 ARG 118 -3.283 29.358 -3.860 241 HH12 ARG 118 HH12 ARG 118 -4.448 29.739 -5.085 242 HH21 ARG 118 HH21 ARG 118 -4.391 26.569 -6.548 243 HH22 ARG 118 HH22 ARG 118 -5.069 28.166 -6.615 244 H LYS 119 HN LYS 119 1.647 23.255 -2.671 245 HA LYS 119 HA LYS 119 2.193 24.612 -0.156 246 HB2 LYS 119 HB2 LYS 119 1.221 22.346 -0.147 247 HB3 LYS 119 HB1 LYS 119 2.604 21.724 -1.036 248 HG2 LYS 119 HG2 LYS 119 2.686 21.142 1.367 249 HG3 LYS 119 HG1 LYS 119 4.076 22.111 0.867 250 HD2 LYS 119 HD2 LYS 119 2.955 24.142 1.813 251 HD3 LYS 119 HD1 LYS 119 1.625 23.119 2.365 252 HE2 LYS 119 HE2 LYS 119 3.147 21.903 3.853 253 HE3 LYS 119 HE1 LYS 119 4.521 22.824 3.239 254 HZ1 LYS 119 HZ1 LYS 119 2.199 24.006 4.651 255 HZ2 LYS 119 HZ2 LYS 119 3.602 24.815 4.163 256 HZ3 LYS 119 HZ3 LYS 119 3.683 23.639 5.377 257 H HIS 120 HN HIS 120 4.065 23.091 -2.800 258 HA HIS 120 HA HIS 120 6.566 24.145 -1.600 259 HB2 HIS 120 HB2 HIS 120 6.170 21.441 -2.955 260 HB3 HIS 120 HB1 HIS 120 7.741 22.105 -2.514 261 HD1 HIS 120 HD1 HIS 120 7.201 23.090 0.339 262 HD2 HIS 120 HD2 HIS 120 5.829 19.458 -1.151 263 HE1 HIS 120 HE1 HIS 120 6.785 21.615 2.342 264 H ARG 121 HN ARG 121 7.912 25.233 -2.879 265 HA ARG 121 HA ARG 121 7.849 24.941 -5.775 266 HB2 ARG 121 HB2 ARG 121 6.243 26.788 -5.275 267 HB3 ARG 121 HB1 ARG 121 7.519 27.653 -4.421 268 HG2 ARG 121 HG2 ARG 121 8.815 27.792 -6.562 269 HG3 ARG 121 HG1 ARG 121 7.478 26.991 -7.391 270 HD2 ARG 121 HD2 ARG 121 7.451 29.719 -6.067 271 HD3 ARG 121 HD1 ARG 121 7.303 29.371 -7.790 272 HE ARG 121 HE ARG 121 5.224 29.355 -5.821 273 HH11 ARG 121 HH11 ARG 121 6.141 27.774 -8.844 274 HH12 ARG 121 HH12 ARG 121 4.504 27.392 -9.265 275 HH21 ARG 121 HH21 ARG 121 3.113 28.835 -6.399 276 HH22 ARG 121 HH22 ARG 121 2.794 27.985 -7.880 277 H ASP 122 HN ASP 122 9.288 27.333 -3.549 278 HA ASP 122 HA ASP 122 11.856 27.028 -4.988 279 HB2 ASP 122 HB2 ASP 122 12.256 29.393 -4.344 280 HB3 ASP 122 HB1 ASP 122 10.760 29.213 -5.252 281 H HIS 123 HN HIS 123 11.224 25.244 -2.869 282 HA HIS 123 HA HIS 123 12.829 26.023 -0.545 283 HB2 HIS 123 HB2 HIS 123 11.652 23.284 -1.199 284 HB3 HIS 123 HB1 HIS 123 12.234 23.841 0.370 285 HD1 HIS 123 HD1 HIS 123 10.689 25.697 1.576 286 HD2 HIS 123 HD2 HIS 123 9.062 23.848 -1.761 287 HE1 HIS 123 HE1 HIS 123 8.209 26.166 1.646 288 H ALA 124 HN ALA 124 14.544 24.197 0.124 289 HA ALA 124 HA ALA 124 16.586 24.128 -1.863 290 HB1 ALA 124 HB1 ALA 124 16.420 22.568 0.736 291 HB2 ALA 124 HB2 ALA 124 17.109 24.179 0.541 292 HB3 ALA 124 HB3 ALA 124 17.871 22.797 -0.246 293 H MET 125 HN MET 125 15.765 23.142 -3.661 294 HA MET 125 HA MET 125 15.889 20.262 -3.788 295 HB2 MET 125 HB2 MET 125 13.644 20.058 -4.945 296 HB3 MET 125 HB1 MET 125 13.525 20.439 -3.236 297 HG2 MET 125 HG2 MET 125 12.964 22.749 -3.733 298 HG3 MET 125 HG1 MET 125 13.270 22.491 -5.447 299 HE1 MET 125 HE1 MET 125 9.696 20.488 -3.268 300 HE2 MET 125 HE2 MET 125 10.949 21.384 -2.411 301 HE3 MET 125 HE3 MET 125 11.327 19.830 -3.164 302 H VAL 126 HN VAL 126 16.885 19.737 -5.657 303 HA VAL 126 HA VAL 126 16.970 21.676 -7.890 304 HB VAL 126 HB VAL 126 18.969 20.368 -8.733 305 HG11 VAL 126 HG11 VAL 126 20.587 21.306 -7.110 306 HG12 VAL 126 HG12 VAL 126 19.281 21.569 -5.955 307 HG13 VAL 126 HG13 VAL 126 19.298 22.455 -7.479 308 HG21 VAL 126 HG21 VAL 126 18.526 18.217 -7.599 309 HG22 VAL 126 HG22 VAL 126 18.825 18.964 -6.029 310 HG23 VAL 126 HG23 VAL 126 20.139 18.811 -7.200 311 HA PRO 127 HA PRO 127 14.446 18.713 -10.233 312 HB2 PRO 127 HB2 PRO 127 14.753 19.820 -12.731 313 HB3 PRO 127 HB1 PRO 127 13.691 20.527 -11.502 314 HG2 PRO 127 HG2 PRO 127 16.521 21.297 -12.229 315 HG3 PRO 127 HG1 PRO 127 15.113 22.346 -11.970 316 HD2 PRO 127 HD2 PRO 127 16.973 21.977 -10.042 317 HD3 PRO 127 HD1 PRO 127 15.254 22.187 -9.640 318 H LEU 128 HN LEU 128 15.244 16.714 -10.622 319 HA LEU 128 HA LEU 128 17.952 16.193 -11.418 320 HB2 LEU 128 HB2 LEU 128 15.549 14.344 -11.103 321 HB3 LEU 128 HB1 LEU 128 17.168 13.778 -11.494 322 HG LEU 128 HG LEU 128 16.369 15.205 -8.928 323 HD11 LEU 128 HD11 LEU 128 16.783 13.051 -7.812 324 HD12 LEU 128 HD12 LEU 128 17.080 12.287 -9.376 325 HD13 LEU 128 HD13 LEU 128 15.481 12.931 -8.993 326 HD21 LEU 128 HD21 LEU 128 18.655 14.701 -8.139 327 HD22 LEU 128 HD22 LEU 128 18.675 15.766 -9.541 328 HD23 LEU 128 HD23 LEU 128 19.068 14.056 -9.732 329 H GLU 129 HN GLU 129 18.092 17.287 -13.437 330 HA GLU 129 HA GLU 129 16.872 15.875 -15.732 331 HB2 GLU 129 HB2 GLU 129 15.867 18.280 -15.062 332 HB3 GLU 129 HB1 GLU 129 17.294 18.885 -15.892 333 HG2 GLU 129 HG2 GLU 129 15.182 17.068 -17.111 334 HG3 GLU 129 HG1 GLU 129 15.254 18.812 -17.325 335 H GLU 130 HN GLU 130 18.591 14.827 -16.473 336 HA GLU 130 HA GLU 130 21.108 16.177 -17.068 337 HB2 GLU 130 HB2 GLU 130 22.372 14.377 -15.690 338 HB3 GLU 130 HB1 GLU 130 21.628 15.705 -14.807 339 HG2 GLU 130 HG2 GLU 130 19.738 14.255 -14.181 340 HG3 GLU 130 HG1 GLU 130 20.433 12.919 -15.091 Start of MODEL 15 1 H GLY 86 HN GLY 86 9.363 -3.321 -12.078 2 HA2 GLY 86 HA2 GLY 86 7.263 -3.167 -11.147 3 HA3 GLY 86 HA1 GLY 86 7.663 -4.463 -10.033 4 H THR 87 HN THR 87 9.423 -3.781 -8.375 5 HA THR 87 HA THR 87 8.209 -1.836 -6.697 6 HB THR 87 HB THR 87 10.096 -2.389 -5.118 7 HG1 THR 87 HG1 THR 87 11.861 -2.940 -6.174 8 HG21 THR 87 HG21 THR 87 8.837 -4.826 -6.430 9 HG22 THR 87 HG22 THR 87 8.087 -3.837 -5.174 10 HG23 THR 87 HG23 THR 87 9.543 -4.766 -4.814 11 H GLN 88 HN GLN 88 10.920 -1.631 -8.923 12 HA GLN 88 HA GLN 88 12.066 0.791 -7.892 13 HB2 GLN 88 HB2 GLN 88 13.332 -0.787 -9.345 14 HB3 GLN 88 HB1 GLN 88 12.257 -0.419 -10.689 15 HG2 GLN 88 HG2 GLN 88 13.065 1.917 -10.703 16 HG3 GLN 88 HG1 GLN 88 14.134 1.558 -9.344 17 HE21 GLN 88 HE21 GLN 88 14.809 2.489 -12.043 18 HE22 GLN 88 HE22 GLN 88 15.904 1.321 -12.687 19 H GLY 89 HN GLY 89 10.472 2.278 -7.571 20 HA2 GLY 89 HA2 GLY 89 8.641 3.026 -9.766 21 HA3 GLY 89 HA1 GLY 89 8.399 3.328 -8.050 22 H GLU 90 HN GLU 90 10.388 4.243 -10.833 23 HA GLU 90 HA GLU 90 11.214 6.801 -9.683 24 HB2 GLU 90 HB2 GLU 90 12.439 7.168 -11.740 25 HB3 GLU 90 HB1 GLU 90 12.698 5.496 -11.260 26 HG2 GLU 90 HG2 GLU 90 10.842 6.470 -13.467 27 HG3 GLU 90 HG1 GLU 90 12.421 5.725 -13.695 28 H ARG 91 HN ARG 91 8.342 6.127 -10.066 29 HA ARG 91 HA ARG 91 7.411 8.461 -11.600 30 HB2 ARG 91 HB2 ARG 91 5.901 5.841 -11.123 31 HB3 ARG 91 HB1 ARG 91 5.336 7.223 -12.067 32 HG2 ARG 91 HG2 ARG 91 6.990 6.843 -13.769 33 HG3 ARG 91 HG1 ARG 91 7.817 5.633 -12.787 34 HD2 ARG 91 HD2 ARG 91 5.762 4.198 -12.936 35 HD3 ARG 91 HD1 ARG 91 5.070 5.393 -14.043 36 HE ARG 91 HE ARG 91 7.678 4.413 -14.827 37 HH11 ARG 91 HH11 ARG 91 4.234 3.760 -15.063 38 HH12 ARG 91 HH12 ARG 91 4.388 2.874 -16.542 39 HH21 ARG 91 HH21 ARG 91 7.849 3.235 -16.745 40 HH22 ARG 91 HH22 ARG 91 6.430 2.562 -17.482 41 H CYS 92 HN CYS 92 6.180 9.897 -10.441 42 HA CYS 92 HA CYS 92 6.031 9.796 -7.609 43 HB2 CYS 92 HB2 CYS 92 6.054 11.894 -9.070 44 HB3 CYS 92 HB1 CYS 92 4.361 11.565 -9.450 45 H ALA 93 HN ALA 93 4.816 8.277 -6.607 46 HA ALA 93 HA ALA 93 2.925 6.646 -7.826 47 HB1 ALA 93 HB1 ALA 93 4.277 6.016 -5.878 48 HB2 ALA 93 HB2 ALA 93 2.564 5.708 -5.592 49 HB3 ALA 93 HB3 ALA 93 3.338 7.117 -4.865 50 H VAL 94 HN VAL 94 2.371 9.737 -6.405 51 HA VAL 94 HA VAL 94 -0.363 9.477 -5.686 52 HB VAL 94 HB VAL 94 1.049 12.059 -6.491 53 HG11 VAL 94 HG11 VAL 94 -1.330 11.605 -4.635 54 HG12 VAL 94 HG12 VAL 94 -1.398 12.281 -6.262 55 HG13 VAL 94 HG13 VAL 94 -0.573 13.165 -4.980 56 HG21 VAL 94 HG21 VAL 94 2.433 10.935 -4.806 57 HG22 VAL 94 HG22 VAL 94 1.040 10.749 -3.741 58 HG23 VAL 94 HG23 VAL 94 1.659 12.361 -4.105 59 H HIS 95 HN HIS 95 1.236 10.780 -8.642 60 HA HIS 95 HA HIS 95 -1.386 11.209 -9.939 61 HB2 HIS 95 HB2 HIS 95 1.194 11.952 -11.317 62 HB3 HIS 95 HB1 HIS 95 -0.353 12.765 -11.347 63 HD1 HIS 95 HD1 HIS 95 -0.589 13.278 -8.209 64 HD2 HIS 95 HD2 HIS 95 2.730 13.972 -10.565 65 HE1 HIS 95 HE1 HIS 95 0.953 14.771 -6.874 66 H GLY 96 HN GLY 96 1.636 9.430 -10.288 67 HA2 GLY 96 HA2 GLY 96 1.894 7.299 -11.229 68 HA3 GLY 96 HA1 GLY 96 0.409 7.515 -12.141 69 H GLU 97 HN GLU 97 2.629 10.175 -12.285 70 HA GLU 97 HA GLU 97 3.624 9.318 -14.947 71 HB2 GLU 97 HB2 GLU 97 4.207 11.856 -15.186 72 HB3 GLU 97 HB1 GLU 97 2.538 11.353 -15.354 73 HG2 GLU 97 HG2 GLU 97 2.695 13.454 -14.131 74 HG3 GLU 97 HG1 GLU 97 2.001 12.186 -13.130 75 H ARG 98 HN ARG 98 5.823 10.235 -15.455 76 HA ARG 98 HA ARG 98 7.718 8.987 -13.752 77 HB2 ARG 98 HB2 ARG 98 7.811 9.000 -16.226 78 HB3 ARG 98 HB1 ARG 98 8.059 10.742 -16.217 79 HG2 ARG 98 HG2 ARG 98 10.262 10.424 -15.130 80 HG3 ARG 98 HG1 ARG 98 10.000 8.674 -15.126 81 HD2 ARG 98 HD2 ARG 98 9.877 8.675 -17.584 82 HD3 ARG 98 HD1 ARG 98 10.101 10.425 -17.605 83 HE ARG 98 HE ARG 98 12.273 9.308 -16.250 84 HH11 ARG 98 HH11 ARG 98 10.968 9.272 -19.510 85 HH12 ARG 98 HH12 ARG 98 12.522 9.090 -20.257 86 HH21 ARG 98 HH21 ARG 98 14.296 9.105 -17.242 87 HH22 ARG 98 HH22 ARG 98 14.406 9.011 -18.970 88 H LEU 99 HN LEU 99 8.853 9.880 -12.095 89 HA LEU 99 HA LEU 99 8.627 12.742 -11.519 90 HB2 LEU 99 HB2 LEU 99 9.111 12.258 -9.247 91 HB3 LEU 99 HB1 LEU 99 8.091 10.941 -9.776 92 HG LEU 99 HG LEU 99 10.442 9.669 -10.075 93 HD11 LEU 99 HD11 LEU 99 11.895 11.562 -9.533 94 HD12 LEU 99 HD12 LEU 99 12.113 10.254 -8.375 95 HD13 LEU 99 HD13 LEU 99 11.175 11.681 -7.925 96 HD21 LEU 99 HD21 LEU 99 10.234 8.703 -7.835 97 HD22 LEU 99 HD22 LEU 99 8.650 8.912 -8.572 98 HD23 LEU 99 HD23 LEU 99 9.191 10.042 -7.334 99 H HIS 100 HN HIS 100 10.276 14.115 -11.939 100 HA HIS 100 HA HIS 100 13.023 13.237 -11.383 101 HB2 HIS 100 HB2 HIS 100 12.145 14.607 -13.950 102 HB3 HIS 100 HB1 HIS 100 13.806 14.697 -13.385 103 HD1 HIS 100 HD1 HIS 100 14.975 12.214 -13.081 104 HD2 HIS 100 HD2 HIS 100 11.618 12.459 -15.507 105 HE1 HIS 100 HE1 HIS 100 14.953 10.111 -14.460 106 H LEU 101 HN LEU 101 12.811 14.295 -9.479 107 HA LEU 101 HA LEU 101 13.903 16.912 -9.455 108 HB2 LEU 101 HB2 LEU 101 11.348 17.357 -9.655 109 HB3 LEU 101 HB1 LEU 101 11.189 16.671 -8.060 110 HG LEU 101 HG LEU 101 11.148 19.221 -8.240 111 HD11 LEU 101 HD11 LEU 101 13.186 18.101 -6.315 112 HD12 LEU 101 HD12 LEU 101 11.442 18.131 -6.078 113 HD13 LEU 101 HD13 LEU 101 12.337 19.641 -6.169 114 HD21 LEU 101 HD21 LEU 101 13.274 20.429 -8.378 115 HD22 LEU 101 HD22 LEU 101 12.958 19.525 -9.856 116 HD23 LEU 101 HD23 LEU 101 14.131 18.918 -8.685 117 H PHE 102 HN PHE 102 14.858 17.269 -7.355 118 HA PHE 102 HA PHE 102 14.425 15.300 -5.237 119 HB2 PHE 102 HB2 PHE 102 16.306 14.364 -6.562 120 HB3 PHE 102 HB1 PHE 102 17.184 15.886 -6.409 121 HD1 PHE 102 HD1 PHE 102 18.698 16.163 -4.582 122 HD2 PHE 102 HD2 PHE 102 15.630 13.180 -4.319 123 HE1 PHE 102 HE1 PHE 102 19.630 15.373 -2.445 124 HE2 PHE 102 HE2 PHE 102 16.586 12.395 -2.189 125 HZ PHE 102 HZ PHE 102 18.577 13.494 -1.247 126 H CYS 103 HN CYS 103 13.879 16.596 -3.614 127 HA CYS 103 HA CYS 103 14.947 19.291 -3.349 128 HB2 CYS 103 HB2 CYS 103 12.509 18.830 -2.981 129 HB3 CYS 103 HB1 CYS 103 12.929 17.834 -1.587 130 HG CYS 103 HG CYS 103 12.264 20.952 -1.577 131 H GLU 104 HN GLU 104 16.840 19.466 -2.402 132 HA GLU 104 HA GLU 104 18.132 17.392 -0.929 133 HB2 GLU 104 HB2 GLU 104 18.954 20.293 -1.353 134 HB3 GLU 104 HB1 GLU 104 20.015 18.979 -0.834 135 HG2 GLU 104 HG2 GLU 104 19.746 17.850 -2.995 136 HG3 GLU 104 HG1 GLU 104 18.567 19.056 -3.514 137 H LYS 105 HN LYS 105 16.445 20.362 -0.055 138 HA LYS 105 HA LYS 105 17.251 20.325 2.732 139 HB2 LYS 105 HB2 LYS 105 15.503 22.138 2.989 140 HB3 LYS 105 HB1 LYS 105 16.758 22.485 1.810 141 HG2 LYS 105 HG2 LYS 105 15.306 22.112 -0.033 142 HG3 LYS 105 HG1 LYS 105 14.078 21.356 0.981 143 HD2 LYS 105 HD2 LYS 105 14.871 24.277 1.265 144 HD3 LYS 105 HD1 LYS 105 13.600 23.733 0.172 145 HE2 LYS 105 HE2 LYS 105 12.508 24.446 2.158 146 HE3 LYS 105 HE1 LYS 105 12.459 22.689 2.190 147 HZ1 LYS 105 HZ1 LYS 105 13.012 23.626 4.337 148 HZ2 LYS 105 HZ2 LYS 105 14.366 24.400 3.686 149 HZ3 LYS 105 HZ3 LYS 105 14.303 22.712 3.749 150 H ASP 106 HN ASP 106 14.308 19.446 0.922 151 HA ASP 106 HA ASP 106 12.824 18.611 3.274 152 HB2 ASP 106 HB2 ASP 106 11.826 19.657 1.162 153 HB3 ASP 106 HB1 ASP 106 12.155 18.146 0.332 154 H GLY 107 HN GLY 107 14.958 17.181 0.967 155 HA2 GLY 107 HA2 GLY 107 15.999 15.173 0.818 156 HA3 GLY 107 HA1 GLY 107 15.386 14.797 2.420 157 H LYS 108 HN LYS 108 13.577 15.445 -0.555 158 HA LYS 108 HA LYS 108 12.743 12.613 -0.750 159 HB2 LYS 108 HB2 LYS 108 10.924 15.053 -0.796 160 HB3 LYS 108 HB1 LYS 108 10.436 13.502 -1.473 161 HG2 LYS 108 HG2 LYS 108 10.787 12.461 0.783 162 HG3 LYS 108 HG1 LYS 108 11.128 14.068 1.426 163 HD2 LYS 108 HD2 LYS 108 8.787 13.417 1.887 164 HD3 LYS 108 HD1 LYS 108 8.846 14.816 0.812 165 HE2 LYS 108 HE2 LYS 108 7.131 13.174 0.092 166 HE3 LYS 108 HE1 LYS 108 8.386 13.367 -1.132 167 HZ1 LYS 108 HZ1 LYS 108 8.309 11.164 0.859 168 HZ2 LYS 108 HZ2 LYS 108 9.383 11.315 -0.440 169 HZ3 LYS 108 HZ3 LYS 108 7.742 11.046 -0.728 170 H ALA 109 HN ALA 109 12.728 11.793 -2.774 171 HA ALA 109 HA ALA 109 13.454 13.406 -5.073 172 HB1 ALA 109 HB1 ALA 109 12.676 10.465 -4.875 173 HB2 ALA 109 HB2 ALA 109 14.318 11.108 -4.855 174 HB3 ALA 109 HB3 ALA 109 13.332 11.259 -6.311 175 H LEU 110 HN LEU 110 11.880 14.795 -5.634 176 HA LEU 110 HA LEU 110 9.036 14.030 -5.607 177 HB2 LEU 110 HB2 LEU 110 10.349 16.741 -6.036 178 HB3 LEU 110 HB1 LEU 110 8.622 16.455 -5.909 179 HG LEU 110 HG LEU 110 10.631 15.998 -3.655 180 HD11 LEU 110 HD11 LEU 110 9.627 17.989 -2.587 181 HD12 LEU 110 HD12 LEU 110 8.628 18.260 -4.017 182 HD13 LEU 110 HD13 LEU 110 10.384 18.394 -4.127 183 HD21 LEU 110 HD21 LEU 110 8.633 15.702 -2.211 184 HD22 LEU 110 HD22 LEU 110 8.721 14.470 -3.466 185 HD23 LEU 110 HD23 LEU 110 7.589 15.813 -3.634 186 H CYS 111 HN CYS 111 7.797 15.286 -7.475 187 HA CYS 111 HA CYS 111 9.095 14.754 -10.088 188 HB2 CYS 111 HB2 CYS 111 6.925 14.385 -11.018 189 HB3 CYS 111 HB1 CYS 111 6.879 13.537 -9.473 190 H TRP 112 HN TRP 112 8.206 16.324 -11.849 191 HA TRP 112 HA TRP 112 8.756 19.005 -11.261 192 HB2 TRP 112 HB2 TRP 112 8.884 18.083 -13.546 193 HB3 TRP 112 HB1 TRP 112 7.139 17.858 -13.578 194 HD1 TRP 112 HD1 TRP 112 9.740 20.757 -13.461 195 HE1 TRP 112 HE1 TRP 112 8.678 22.843 -14.528 196 HE3 TRP 112 HE3 TRP 112 5.016 18.967 -14.278 197 HZ2 TRP 112 HZ2 TRP 112 6.197 23.632 -15.585 198 HZ3 TRP 112 HZ3 TRP 112 3.348 20.457 -15.306 199 HH2 TRP 112 HH2 TRP 112 3.929 22.750 -15.948 200 H VAL 113 HN VAL 113 5.646 17.287 -11.323 201 HA VAL 113 HA VAL 113 3.892 19.497 -11.179 202 HB VAL 113 HB VAL 113 3.369 16.680 -10.106 203 HG11 VAL 113 HG11 VAL 113 0.974 17.182 -10.522 204 HG12 VAL 113 HG12 VAL 113 1.401 18.824 -11.015 205 HG13 VAL 113 HG13 VAL 113 1.668 18.301 -9.352 206 HG21 VAL 113 HG21 VAL 113 2.922 17.773 -12.917 207 HG22 VAL 113 HG22 VAL 113 2.423 16.179 -12.348 208 HG23 VAL 113 HG23 VAL 113 4.136 16.580 -12.446 209 H CYS 114 HN CYS 114 5.390 17.536 -8.583 210 HA CYS 114 HA CYS 114 4.174 19.043 -6.424 211 HB2 CYS 114 HB2 CYS 114 6.349 16.917 -6.356 212 HB3 CYS 114 HB1 CYS 114 5.664 17.674 -4.921 213 H ALA 115 HN ALA 115 6.956 19.433 -8.411 214 HA ALA 115 HA ALA 115 8.474 21.161 -6.646 215 HB1 ALA 115 HB1 ALA 115 9.575 19.872 -8.437 216 HB2 ALA 115 HB2 ALA 115 9.853 21.602 -8.639 217 HB3 ALA 115 HB3 ALA 115 8.669 20.772 -9.655 218 H GLN 116 HN GLN 116 6.034 21.511 -9.164 219 HA GLN 116 HA GLN 116 6.025 24.407 -9.190 220 HB2 GLN 116 HB2 GLN 116 4.073 22.383 -10.382 221 HB3 GLN 116 HB1 GLN 116 3.991 24.130 -10.640 222 HG2 GLN 116 HG2 GLN 116 6.265 22.304 -11.473 223 HG3 GLN 116 HG1 GLN 116 5.047 23.001 -12.537 224 HE21 GLN 116 HE21 GLN 116 8.017 23.266 -12.482 225 HE22 GLN 116 HE22 GLN 116 8.318 24.968 -12.461 226 H SER 117 HN SER 117 4.385 21.812 -7.518 227 HA SER 117 HA SER 117 2.265 23.306 -6.341 228 HB2 SER 117 HB2 SER 117 2.200 20.830 -6.418 229 HB3 SER 117 HB1 SER 117 3.624 20.738 -5.387 230 HG SER 117 HG SER 117 1.268 22.075 -4.561 231 H ARG 118 HN ARG 118 2.665 25.023 -5.114 232 HA ARG 118 HA ARG 118 5.072 25.319 -3.464 233 HB2 ARG 118 HB2 ARG 118 2.786 27.262 -4.035 234 HB3 ARG 118 HB1 ARG 118 4.310 27.664 -3.243 235 HG2 ARG 118 HG2 ARG 118 5.521 27.125 -5.356 236 HG3 ARG 118 HG1 ARG 118 3.975 26.779 -6.137 237 HD2 ARG 118 HD2 ARG 118 4.713 29.024 -6.726 238 HD3 ARG 118 HD1 ARG 118 3.262 29.126 -5.722 239 HE ARG 118 HE ARG 118 6.006 29.518 -4.644 240 HH11 ARG 118 HH11 ARG 118 2.663 30.554 -4.777 241 HH12 ARG 118 HH12 ARG 118 2.931 31.928 -3.760 242 HH21 ARG 118 HH21 ARG 118 6.324 31.321 -3.302 243 HH22 ARG 118 HH22 ARG 118 4.988 32.363 -2.930 244 H LYS 119 HN LYS 119 3.319 23.295 -2.641 245 HA LYS 119 HA LYS 119 1.337 23.876 -0.784 246 HB2 LYS 119 HB2 LYS 119 1.526 21.650 -1.709 247 HB3 LYS 119 HB1 LYS 119 3.178 21.474 -1.137 248 HG2 LYS 119 HG2 LYS 119 1.642 20.109 0.193 249 HG3 LYS 119 HG1 LYS 119 2.408 21.350 1.186 250 HD2 LYS 119 HD2 LYS 119 0.282 22.748 0.882 251 HD3 LYS 119 HD1 LYS 119 -0.457 21.324 0.141 252 HE2 LYS 119 HE2 LYS 119 -1.048 21.525 2.531 253 HE3 LYS 119 HE1 LYS 119 -0.127 20.055 2.222 254 HZ1 LYS 119 HZ1 LYS 119 0.999 22.579 3.314 255 HZ2 LYS 119 HZ2 LYS 119 1.844 21.131 3.080 256 HZ3 LYS 119 HZ3 LYS 119 0.601 21.208 4.216 257 H HIS 120 HN HIS 120 4.820 23.399 -0.314 258 HA HIS 120 HA HIS 120 4.585 24.469 2.445 259 HB2 HIS 120 HB2 HIS 120 6.680 22.545 1.321 260 HB3 HIS 120 HB1 HIS 120 6.699 23.227 2.944 261 HD1 HIS 120 HD1 HIS 120 5.650 20.259 1.232 262 HD2 HIS 120 HD2 HIS 120 4.140 22.529 4.374 263 HE1 HIS 120 HE1 HIS 120 4.004 18.783 2.454 264 H ARG 121 HN ARG 121 7.233 24.059 0.099 265 HA ARG 121 HA ARG 121 7.585 26.769 -0.584 266 HB2 ARG 121 HB2 ARG 121 9.748 27.219 0.652 267 HB3 ARG 121 HB1 ARG 121 8.335 27.155 1.700 268 HG2 ARG 121 HG2 ARG 121 8.926 24.943 2.481 269 HG3 ARG 121 HG1 ARG 121 10.253 24.834 1.324 270 HD2 ARG 121 HD2 ARG 121 11.087 25.326 3.568 271 HD3 ARG 121 HD1 ARG 121 11.430 26.651 2.463 272 HE ARG 121 HE ARG 121 9.390 27.758 3.504 273 HH11 ARG 121 HH11 ARG 121 11.314 25.478 5.364 274 HH12 ARG 121 HH12 ARG 121 11.052 26.303 6.865 275 HH21 ARG 121 HH21 ARG 121 9.066 28.826 5.479 276 HH22 ARG 121 HH22 ARG 121 9.797 28.208 6.928 277 H ASP 122 HN ASP 122 9.606 27.125 -1.721 278 HA ASP 122 HA ASP 122 10.586 24.775 -3.195 279 HB2 ASP 122 HB2 ASP 122 11.406 26.477 -4.833 280 HB3 ASP 122 HB1 ASP 122 9.698 26.719 -4.493 281 H HIS 123 HN HIS 123 13.113 26.412 -3.853 282 HA HIS 123 HA HIS 123 15.207 26.869 -3.177 283 HB2 HIS 123 HB2 HIS 123 14.216 26.509 -0.307 284 HB3 HIS 123 HB1 HIS 123 15.848 27.020 -0.728 285 HD1 HIS 123 HD1 HIS 123 12.250 28.245 -1.058 286 HD2 HIS 123 HD2 HIS 123 16.143 29.701 -1.094 287 HE1 HIS 123 HE1 HIS 123 12.066 30.761 -1.022 288 H ALA 124 HN ALA 124 17.057 25.661 -3.071 289 HA ALA 124 HA ALA 124 18.359 23.819 -3.274 290 HB1 ALA 124 HB1 ALA 124 17.106 23.138 -0.584 291 HB2 ALA 124 HB2 ALA 124 18.476 24.218 -0.843 292 HB3 ALA 124 HB3 ALA 124 18.637 22.506 -1.216 293 H MET 125 HN MET 125 16.591 23.333 -5.029 294 HA MET 125 HA MET 125 15.833 20.494 -4.772 295 HB2 MET 125 HB2 MET 125 14.027 22.613 -6.052 296 HB3 MET 125 HB1 MET 125 13.712 20.887 -5.984 297 HG2 MET 125 HG2 MET 125 13.893 21.328 -3.354 298 HG3 MET 125 HG1 MET 125 13.422 22.951 -3.846 299 HE1 MET 125 HE1 MET 125 11.532 22.095 -6.454 300 HE2 MET 125 HE2 MET 125 11.121 23.393 -5.328 301 HE3 MET 125 HE3 MET 125 9.958 22.110 -5.666 302 H VAL 126 HN VAL 126 17.161 19.550 -6.184 303 HA VAL 126 HA VAL 126 17.730 20.787 -8.805 304 HB VAL 126 HB VAL 126 19.618 19.172 -8.966 305 HG11 VAL 126 HG11 VAL 126 20.046 21.395 -8.017 306 HG12 VAL 126 HG12 VAL 126 21.082 20.192 -7.255 307 HG13 VAL 126 HG13 VAL 126 19.666 20.803 -6.396 308 HG21 VAL 126 HG21 VAL 126 18.722 17.317 -7.608 309 HG22 VAL 126 HG22 VAL 126 18.845 18.294 -6.144 310 HG23 VAL 126 HG23 VAL 126 20.307 17.806 -7.006 311 HA PRO 127 HA PRO 127 14.980 17.649 -10.642 312 HB2 PRO 127 HB2 PRO 127 15.689 18.005 -13.283 313 HB3 PRO 127 HB1 PRO 127 14.607 19.103 -12.413 314 HG2 PRO 127 HG2 PRO 127 17.560 19.394 -12.955 315 HG3 PRO 127 HG1 PRO 127 16.272 20.604 -13.105 316 HD2 PRO 127 HD2 PRO 127 17.909 20.534 -10.953 317 HD3 PRO 127 HD1 PRO 127 16.204 21.017 -10.810 318 H LEU 128 HN LEU 128 15.237 15.483 -11.146 319 HA LEU 128 HA LEU 128 17.863 14.326 -10.861 320 HB2 LEU 128 HB2 LEU 128 15.122 13.110 -11.344 321 HB3 LEU 128 HB1 LEU 128 16.582 12.136 -11.219 322 HG LEU 128 HG LEU 128 15.524 13.958 -9.015 323 HD11 LEU 128 HD11 LEU 128 14.026 12.058 -9.345 324 HD12 LEU 128 HD12 LEU 128 14.901 11.903 -7.824 325 HD13 LEU 128 HD13 LEU 128 15.385 10.936 -9.218 326 HD21 LEU 128 HD21 LEU 128 17.979 13.735 -8.930 327 HD22 LEU 128 HD22 LEU 128 17.840 11.975 -8.967 328 HD23 LEU 128 HD23 LEU 128 17.232 12.882 -7.581 329 H GLU 129 HN GLU 129 19.148 14.775 -12.542 330 HA GLU 129 HA GLU 129 18.456 13.651 -15.203 331 HB2 GLU 129 HB2 GLU 129 18.798 16.227 -15.050 332 HB3 GLU 129 HB1 GLU 129 20.483 15.887 -14.699 333 HG2 GLU 129 HG2 GLU 129 20.273 16.430 -17.036 334 HG3 GLU 129 HG1 GLU 129 20.683 14.720 -16.890 335 H GLU 130 HN GLU 130 19.102 11.748 -13.881 336 HA GLU 130 HA GLU 130 20.383 9.954 -13.551 337 HB2 GLU 130 HB2 GLU 130 21.299 10.452 -15.822 338 HB3 GLU 130 HB1 GLU 130 22.582 11.414 -15.094 339 HG2 GLU 130 HG2 GLU 130 23.437 9.393 -13.951 340 HG3 GLU 130 HG1 GLU 130 22.141 8.438 -14.679 Start of MODEL 16 1 H GLY 86 HN GLY 86 0.558 -1.780 -10.595 2 HA2 GLY 86 HA2 GLY 86 2.302 -1.888 -12.872 3 HA3 GLY 86 HA1 GLY 86 1.458 -0.474 -12.254 4 H THR 87 HN THR 87 4.471 -2.058 -12.469 5 HA THR 87 HA THR 87 5.766 -1.236 -10.110 6 HB THR 87 HB THR 87 7.070 -1.954 -12.775 7 HG1 THR 87 HG1 THR 87 5.763 -3.483 -10.826 8 HG21 THR 87 HG21 THR 87 8.138 -2.155 -9.919 9 HG22 THR 87 HG22 THR 87 8.678 -1.000 -11.140 10 HG23 THR 87 HG23 THR 87 8.970 -2.724 -11.365 11 H GLN 88 HN GLN 88 5.471 0.909 -9.713 12 HA GLN 88 HA GLN 88 6.402 3.011 -11.495 13 HB2 GLN 88 HB2 GLN 88 5.582 3.213 -8.558 14 HB3 GLN 88 HB1 GLN 88 5.742 4.545 -9.699 15 HG2 GLN 88 HG2 GLN 88 3.694 2.318 -9.886 16 HG3 GLN 88 HG1 GLN 88 3.383 3.922 -9.227 17 HE21 GLN 88 HE21 GLN 88 2.220 2.453 -11.533 18 HE22 GLN 88 HE22 GLN 88 2.378 3.516 -12.885 19 H GLY 89 HN GLY 89 8.607 3.129 -11.759 20 HA2 GLY 89 HA2 GLY 89 10.539 2.406 -9.757 21 HA3 GLY 89 HA1 GLY 89 10.862 3.201 -11.296 22 H GLU 90 HN GLU 90 11.705 5.232 -11.084 23 HA GLU 90 HA GLU 90 11.193 6.892 -8.735 24 HB2 GLU 90 HB2 GLU 90 12.623 7.630 -11.332 25 HB3 GLU 90 HB1 GLU 90 12.561 8.618 -9.886 26 HG2 GLU 90 HG2 GLU 90 14.692 7.696 -9.828 27 HG3 GLU 90 HG1 GLU 90 13.787 6.685 -8.708 28 H ARG 91 HN ARG 91 8.831 6.554 -9.208 29 HA ARG 91 HA ARG 91 7.766 8.576 -11.087 30 HB2 ARG 91 HB2 ARG 91 6.668 5.739 -10.776 31 HB3 ARG 91 HB1 ARG 91 5.961 7.010 -11.767 32 HG2 ARG 91 HG2 ARG 91 8.048 7.027 -13.159 33 HG3 ARG 91 HG1 ARG 91 8.653 5.674 -12.204 34 HD2 ARG 91 HD2 ARG 91 7.725 4.827 -14.279 35 HD3 ARG 91 HD1 ARG 91 6.704 4.309 -12.939 36 HE ARG 91 HE ARG 91 5.109 6.055 -13.562 37 HH11 ARG 91 HH11 ARG 91 7.499 5.264 -16.017 38 HH12 ARG 91 HH12 ARG 91 6.459 5.705 -17.335 39 HH21 ARG 91 HH21 ARG 91 3.763 6.628 -15.311 40 HH22 ARG 91 HH22 ARG 91 4.357 6.474 -16.936 41 H CYS 92 HN CYS 92 6.233 9.858 -10.236 42 HA CYS 92 HA CYS 92 5.564 9.777 -7.444 43 HB2 CYS 92 HB2 CYS 92 5.707 11.856 -9.100 44 HB3 CYS 92 HB1 CYS 92 4.032 11.451 -9.484 45 H ALA 93 HN ALA 93 4.261 8.098 -6.759 46 HA ALA 93 HA ALA 93 2.637 6.596 -8.549 47 HB1 ALA 93 HB1 ALA 93 2.794 6.445 -5.525 48 HB2 ALA 93 HB2 ALA 93 3.851 5.600 -6.659 49 HB3 ALA 93 HB3 ALA 93 2.133 5.209 -6.597 50 H VAL 94 HN VAL 94 1.883 9.415 -6.813 51 HA VAL 94 HA VAL 94 -0.906 9.081 -6.367 52 HB VAL 94 HB VAL 94 0.660 11.665 -6.816 53 HG11 VAL 94 HG11 VAL 94 -1.748 12.055 -7.086 54 HG12 VAL 94 HG12 VAL 94 -1.183 12.790 -5.590 55 HG13 VAL 94 HG13 VAL 94 -2.085 11.272 -5.537 56 HG21 VAL 94 HG21 VAL 94 1.584 10.379 -4.945 57 HG22 VAL 94 HG22 VAL 94 -0.014 10.241 -4.208 58 HG23 VAL 94 HG23 VAL 94 0.762 11.821 -4.349 59 H HIS 95 HN HIS 95 0.920 10.621 -9.023 60 HA HIS 95 HA HIS 95 -1.501 10.989 -10.639 61 HB2 HIS 95 HB2 HIS 95 1.259 11.662 -11.672 62 HB3 HIS 95 HB1 HIS 95 -0.261 12.493 -11.957 63 HD1 HIS 95 HD1 HIS 95 -0.983 13.126 -8.921 64 HD2 HIS 95 HD2 HIS 95 2.720 13.669 -10.707 65 HE1 HIS 95 HE1 HIS 95 0.332 14.689 -7.417 66 H GLY 96 HN GLY 96 1.370 9.017 -10.381 67 HA2 GLY 96 HA2 GLY 96 1.744 6.876 -11.270 68 HA3 GLY 96 HA1 GLY 96 0.513 7.160 -12.504 69 H GLU 97 HN GLU 97 2.386 9.881 -12.328 70 HA GLU 97 HA GLU 97 3.673 9.411 -14.877 71 HB2 GLU 97 HB2 GLU 97 4.352 11.765 -14.749 72 HB3 GLU 97 HB1 GLU 97 2.654 11.622 -14.311 73 HG2 GLU 97 HG2 GLU 97 3.123 11.934 -11.979 74 HG3 GLU 97 HG1 GLU 97 4.858 11.754 -12.233 75 H ARG 98 HN ARG 98 5.944 9.661 -15.276 76 HA ARG 98 HA ARG 98 7.824 8.796 -13.291 77 HB2 ARG 98 HB2 ARG 98 8.201 8.338 -15.676 78 HB3 ARG 98 HB1 ARG 98 8.177 10.056 -16.048 79 HG2 ARG 98 HG2 ARG 98 10.449 9.348 -16.096 80 HG3 ARG 98 HG1 ARG 98 10.231 10.342 -14.661 81 HD2 ARG 98 HD2 ARG 98 9.831 7.973 -13.497 82 HD3 ARG 98 HD1 ARG 98 10.785 7.402 -14.876 83 HE ARG 98 HE ARG 98 11.647 9.182 -12.703 84 HH11 ARG 98 HH11 ARG 98 12.556 7.533 -15.653 85 HH12 ARG 98 HH12 ARG 98 14.255 7.717 -15.364 86 HH21 ARG 98 HH21 ARG 98 13.845 9.396 -12.330 87 HH22 ARG 98 HH22 ARG 98 14.990 8.762 -13.466 88 H LEU 99 HN LEU 99 9.082 10.071 -11.927 89 HA LEU 99 HA LEU 99 8.513 12.955 -11.869 90 HB2 LEU 99 HB2 LEU 99 9.091 12.941 -9.506 91 HB3 LEU 99 HB1 LEU 99 7.844 11.764 -9.846 92 HG LEU 99 HG LEU 99 9.766 10.008 -9.751 93 HD11 LEU 99 HD11 LEU 99 11.704 11.485 -9.769 94 HD12 LEU 99 HD12 LEU 99 11.674 10.492 -8.317 95 HD13 LEU 99 HD13 LEU 99 11.200 12.190 -8.230 96 HD21 LEU 99 HD21 LEU 99 8.889 11.372 -7.195 97 HD22 LEU 99 HD22 LEU 99 9.532 9.732 -7.328 98 HD23 LEU 99 HD23 LEU 99 7.990 10.133 -8.076 99 H HIS 100 HN HIS 100 10.160 14.466 -11.794 100 HA HIS 100 HA HIS 100 12.936 13.581 -11.417 101 HB2 HIS 100 HB2 HIS 100 11.937 15.223 -13.768 102 HB3 HIS 100 HB1 HIS 100 13.634 15.214 -13.294 103 HD1 HIS 100 HD1 HIS 100 11.104 13.302 -15.205 104 HD2 HIS 100 HD2 HIS 100 14.914 12.660 -13.670 105 HE1 HIS 100 HE1 HIS 100 11.982 11.221 -16.323 106 H LEU 101 HN LEU 101 12.855 14.505 -9.374 107 HA LEU 101 HA LEU 101 13.726 17.210 -9.188 108 HB2 LEU 101 HB2 LEU 101 11.185 17.502 -9.296 109 HB3 LEU 101 HB1 LEU 101 11.063 16.615 -7.800 110 HG LEU 101 HG LEU 101 10.802 19.098 -7.567 111 HD11 LEU 101 HD11 LEU 101 11.476 17.777 -5.610 112 HD12 LEU 101 HD12 LEU 101 12.110 19.417 -5.569 113 HD13 LEU 101 HD13 LEU 101 13.174 18.077 -5.997 114 HD21 LEU 101 HD21 LEU 101 13.738 19.253 -8.312 115 HD22 LEU 101 HD22 LEU 101 12.738 20.588 -7.738 116 HD23 LEU 101 HD23 LEU 101 12.382 19.830 -9.287 117 H PHE 102 HN PHE 102 15.460 16.729 -7.846 118 HA PHE 102 HA PHE 102 15.078 14.976 -5.520 119 HB2 PHE 102 HB2 PHE 102 17.188 14.739 -6.857 120 HB3 PHE 102 HB1 PHE 102 17.620 16.398 -6.443 121 HD1 PHE 102 HD1 PHE 102 16.695 13.141 -4.796 122 HD2 PHE 102 HD2 PHE 102 18.969 16.758 -4.500 123 HE1 PHE 102 HE1 PHE 102 17.740 12.321 -2.720 124 HE2 PHE 102 HE2 PHE 102 20.019 15.916 -2.436 125 HZ PHE 102 HZ PHE 102 19.407 13.700 -1.540 126 H CYS 103 HN CYS 103 14.209 15.964 -3.784 127 HA CYS 103 HA CYS 103 14.613 18.798 -3.236 128 HB2 CYS 103 HB2 CYS 103 12.376 17.689 -2.847 129 HB3 CYS 103 HB1 CYS 103 13.114 16.743 -1.557 130 HG CYS 103 HG CYS 103 11.553 18.950 -0.594 131 H GLU 104 HN GLU 104 16.444 19.356 -2.282 132 HA GLU 104 HA GLU 104 18.255 17.456 -1.123 133 HB2 GLU 104 HB2 GLU 104 18.449 20.492 -1.247 134 HB3 GLU 104 HB1 GLU 104 19.783 19.372 -0.947 135 HG2 GLU 104 HG2 GLU 104 19.627 18.489 -3.210 136 HG3 GLU 104 HG1 GLU 104 18.157 19.415 -3.518 137 H LYS 105 HN LYS 105 16.069 19.934 0.148 138 HA LYS 105 HA LYS 105 17.037 19.844 2.867 139 HB2 LYS 105 HB2 LYS 105 15.075 21.203 3.466 140 HB3 LYS 105 HB1 LYS 105 15.876 21.858 2.046 141 HG2 LYS 105 HG2 LYS 105 14.154 21.061 0.580 142 HG3 LYS 105 HG1 LYS 105 13.407 20.108 1.866 143 HD2 LYS 105 HD2 LYS 105 13.573 23.149 1.796 144 HD3 LYS 105 HD1 LYS 105 12.154 22.199 1.354 145 HE2 LYS 105 HE2 LYS 105 12.031 21.326 3.669 146 HE3 LYS 105 HE1 LYS 105 13.439 22.292 4.113 147 HZ1 LYS 105 HZ1 LYS 105 11.383 23.364 4.769 148 HZ2 LYS 105 HZ2 LYS 105 10.838 23.366 3.173 149 HZ3 LYS 105 HZ3 LYS 105 12.180 24.288 3.596 150 H ASP 106 HN ASP 106 14.435 18.276 1.094 151 HA ASP 106 HA ASP 106 13.336 16.924 3.438 152 HB2 ASP 106 HB2 ASP 106 11.946 17.861 1.508 153 HB3 ASP 106 HB1 ASP 106 12.588 16.577 0.497 154 H GLY 107 HN GLY 107 15.509 16.321 0.813 155 HA2 GLY 107 HA2 GLY 107 17.007 14.678 0.343 156 HA3 GLY 107 HA1 GLY 107 16.625 13.941 1.897 157 H LYS 108 HN LYS 108 14.189 14.534 -0.545 158 HA LYS 108 HA LYS 108 14.098 11.687 -1.319 159 HB2 LYS 108 HB2 LYS 108 11.812 13.387 -0.259 160 HB3 LYS 108 HB1 LYS 108 11.495 11.998 -1.297 161 HG2 LYS 108 HG2 LYS 108 12.944 11.906 1.373 162 HG3 LYS 108 HG1 LYS 108 11.251 11.461 1.102 163 HD2 LYS 108 HD2 LYS 108 11.989 9.666 -0.445 164 HD3 LYS 108 HD1 LYS 108 13.675 10.107 -0.157 165 HE2 LYS 108 HE2 LYS 108 13.461 9.479 2.187 166 HE3 LYS 108 HE1 LYS 108 11.748 9.122 1.959 167 HZ1 LYS 108 HZ1 LYS 108 13.094 7.123 1.927 168 HZ2 LYS 108 HZ2 LYS 108 13.991 7.714 0.622 169 HZ3 LYS 108 HZ3 LYS 108 12.346 7.366 0.430 170 H ALA 109 HN ALA 109 13.150 11.244 -3.283 171 HA ALA 109 HA ALA 109 13.464 13.308 -5.305 172 HB1 ALA 109 HB1 ALA 109 12.818 10.343 -5.577 173 HB2 ALA 109 HB2 ALA 109 14.423 11.068 -5.677 174 HB3 ALA 109 HB3 ALA 109 13.214 11.442 -6.905 175 H LEU 110 HN LEU 110 11.786 14.692 -5.182 176 HA LEU 110 HA LEU 110 8.987 13.806 -5.166 177 HB2 LEU 110 HB2 LEU 110 9.996 16.663 -5.478 178 HB3 LEU 110 HB1 LEU 110 8.399 16.128 -4.975 179 HG LEU 110 HG LEU 110 10.972 16.019 -3.361 180 HD11 LEU 110 HD11 LEU 110 9.802 17.533 -1.810 181 HD12 LEU 110 HD12 LEU 110 8.386 17.543 -2.865 182 HD13 LEU 110 HD13 LEU 110 9.912 18.232 -3.426 183 HD21 LEU 110 HD21 LEU 110 8.272 14.846 -2.586 184 HD22 LEU 110 HD22 LEU 110 9.646 15.052 -1.497 185 HD23 LEU 110 HD23 LEU 110 9.773 13.956 -2.869 186 H CYS 111 HN CYS 111 7.591 15.283 -6.842 187 HA CYS 111 HA CYS 111 8.861 15.062 -9.516 188 HB2 CYS 111 HB2 CYS 111 6.817 14.486 -10.470 189 HB3 CYS 111 HB1 CYS 111 6.656 13.719 -8.898 190 H TRP 112 HN TRP 112 8.277 16.689 -11.070 191 HA TRP 112 HA TRP 112 8.568 19.329 -10.372 192 HB2 TRP 112 HB2 TRP 112 8.994 18.684 -12.627 193 HB3 TRP 112 HB1 TRP 112 7.396 17.974 -12.821 194 HD1 TRP 112 HD1 TRP 112 9.008 21.503 -12.464 195 HE1 TRP 112 HE1 TRP 112 7.486 23.195 -13.664 196 HE3 TRP 112 HE3 TRP 112 5.215 18.367 -13.848 197 HZ2 TRP 112 HZ2 TRP 112 5.027 23.199 -15.035 198 HZ3 TRP 112 HZ3 TRP 112 3.311 19.285 -15.113 199 HH2 TRP 112 HH2 TRP 112 3.220 21.662 -15.698 200 H VAL 113 HN VAL 113 5.506 17.568 -10.904 201 HA VAL 113 HA VAL 113 3.689 19.699 -10.758 202 HB VAL 113 HB VAL 113 3.239 16.785 -9.951 203 HG11 VAL 113 HG11 VAL 113 1.164 18.893 -10.662 204 HG12 VAL 113 HG12 VAL 113 1.424 18.184 -9.069 205 HG13 VAL 113 HG13 VAL 113 0.835 17.176 -10.390 206 HG21 VAL 113 HG21 VAL 113 4.056 16.998 -12.254 207 HG22 VAL 113 HG22 VAL 113 2.792 18.174 -12.623 208 HG23 VAL 113 HG23 VAL 113 2.363 16.501 -12.250 209 H CYS 114 HN CYS 114 4.902 17.598 -8.155 210 HA CYS 114 HA CYS 114 3.420 18.949 -6.064 211 HB2 CYS 114 HB2 CYS 114 5.547 16.782 -5.917 212 HB3 CYS 114 HB1 CYS 114 4.665 17.404 -4.526 213 H ALA 115 HN ALA 115 6.424 19.483 -7.648 214 HA ALA 115 HA ALA 115 7.764 20.910 -5.493 215 HB1 ALA 115 HB1 ALA 115 9.462 21.423 -7.200 216 HB2 ALA 115 HB2 ALA 115 8.415 20.755 -8.457 217 HB3 ALA 115 HB3 ALA 115 9.065 19.704 -7.199 218 H GLN 116 HN GLN 116 5.924 21.715 -8.437 219 HA GLN 116 HA GLN 116 6.013 24.579 -7.863 220 HB2 GLN 116 HB2 GLN 116 4.774 23.109 -10.223 221 HB3 GLN 116 HB1 GLN 116 4.838 24.858 -10.031 222 HG2 GLN 116 HG2 GLN 116 7.517 24.122 -9.746 223 HG3 GLN 116 HG1 GLN 116 6.931 22.987 -10.957 224 HE21 GLN 116 HE21 GLN 116 7.667 26.314 -10.257 225 HE22 GLN 116 HE22 GLN 116 7.504 26.913 -11.867 226 H SER 117 HN SER 117 4.394 22.236 -6.480 227 HA SER 117 HA SER 117 1.711 23.245 -6.347 228 HB2 SER 117 HB2 SER 117 2.248 20.913 -5.708 229 HB3 SER 117 HB1 SER 117 3.268 21.494 -4.394 230 HG SER 117 HG SER 117 0.492 22.055 -4.630 231 H ARG 118 HN ARG 118 0.776 24.197 -4.330 232 HA ARG 118 HA ARG 118 2.037 26.625 -3.634 233 HB2 ARG 118 HB2 ARG 118 -0.444 26.243 -3.634 234 HB3 ARG 118 HB1 ARG 118 -0.276 25.238 -2.207 235 HG2 ARG 118 HG2 ARG 118 -1.082 27.409 -1.525 236 HG3 ARG 118 HG1 ARG 118 0.571 27.224 -0.939 237 HD2 ARG 118 HD2 ARG 118 1.356 28.545 -2.925 238 HD3 ARG 118 HD1 ARG 118 -0.339 28.826 -3.348 239 HE ARG 118 HE ARG 118 0.104 29.608 -0.670 240 HH11 ARG 118 HH11 ARG 118 0.818 30.728 -3.926 241 HH12 ARG 118 HH12 ARG 118 1.047 32.373 -3.430 242 HH21 ARG 118 HH21 ARG 118 0.421 31.764 -0.042 243 HH22 ARG 118 HH22 ARG 118 0.825 32.955 -1.235 244 H LYS 119 HN LYS 119 2.206 23.456 -2.178 245 HA LYS 119 HA LYS 119 3.049 24.082 0.437 246 HB2 LYS 119 HB2 LYS 119 2.285 21.821 -0.263 247 HB3 LYS 119 HB1 LYS 119 3.725 21.631 -1.252 248 HG2 LYS 119 HG2 LYS 119 4.022 20.382 0.786 249 HG3 LYS 119 HG1 LYS 119 5.134 21.754 0.804 250 HD2 LYS 119 HD2 LYS 119 3.261 22.957 2.182 251 HD3 LYS 119 HD1 LYS 119 2.605 21.334 2.416 252 HE2 LYS 119 HE2 LYS 119 4.010 21.958 4.316 253 HE3 LYS 119 HE1 LYS 119 4.782 20.644 3.421 254 HZ1 LYS 119 HZ1 LYS 119 6.310 22.451 4.065 255 HZ2 LYS 119 HZ2 LYS 119 5.445 23.522 3.085 256 HZ3 LYS 119 HZ3 LYS 119 6.260 22.208 2.397 257 H HIS 120 HN HIS 120 4.822 24.088 -2.592 258 HA HIS 120 HA HIS 120 7.375 24.676 -1.190 259 HB2 HIS 120 HB2 HIS 120 7.004 23.048 -3.749 260 HB3 HIS 120 HB1 HIS 120 8.559 23.496 -3.051 261 HD1 HIS 120 HD1 HIS 120 5.876 20.940 -2.802 262 HD2 HIS 120 HD2 HIS 120 9.162 22.168 -0.571 263 HE1 HIS 120 HE1 HIS 120 6.285 19.131 -1.084 264 H ARG 121 HN ARG 121 8.876 25.951 -2.438 265 HA ARG 121 HA ARG 121 7.836 27.538 -4.696 266 HB2 ARG 121 HB2 ARG 121 9.044 28.685 -2.130 267 HB3 ARG 121 HB1 ARG 121 8.906 29.614 -3.619 268 HG2 ARG 121 HG2 ARG 121 6.462 29.450 -3.522 269 HG3 ARG 121 HG1 ARG 121 6.563 28.456 -2.067 270 HD2 ARG 121 HD2 ARG 121 7.532 30.317 -0.819 271 HD3 ARG 121 HD1 ARG 121 7.579 31.315 -2.280 272 HE ARG 121 HE ARG 121 4.951 30.566 -2.006 273 HH11 ARG 121 HH11 ARG 121 7.221 32.330 0.026 274 HH12 ARG 121 HH12 ARG 121 5.983 33.294 0.761 275 HH21 ARG 121 HH21 ARG 121 3.375 31.855 -1.076 276 HH22 ARG 121 HH22 ARG 121 3.800 33.028 0.128 277 H ASP 122 HN ASP 122 10.718 27.699 -2.624 278 HA ASP 122 HA ASP 122 12.582 26.449 -4.349 279 HB2 ASP 122 HB2 ASP 122 12.158 28.574 -5.684 280 HB3 ASP 122 HB1 ASP 122 12.701 29.516 -4.298 281 H HIS 123 HN HIS 123 13.562 25.528 -2.646 282 HA HIS 123 HA HIS 123 14.198 27.111 -0.208 283 HB2 HIS 123 HB2 HIS 123 13.124 24.245 -0.245 284 HB3 HIS 123 HB1 HIS 123 13.440 25.234 1.174 285 HD1 HIS 123 HD1 HIS 123 11.677 27.115 1.726 286 HD2 HIS 123 HD2 HIS 123 10.688 24.691 -1.505 287 HE1 HIS 123 HE1 HIS 123 9.241 27.548 1.225 288 H ALA 124 HN ALA 124 14.585 23.872 -1.571 289 HA ALA 124 HA ALA 124 17.312 23.940 -2.194 290 HB1 ALA 124 HB1 ALA 124 18.214 22.384 -0.484 291 HB2 ALA 124 HB2 ALA 124 16.682 22.445 0.392 292 HB3 ALA 124 HB3 ALA 124 17.681 23.892 0.263 293 H MET 125 HN MET 125 16.430 23.057 -4.058 294 HA MET 125 HA MET 125 15.721 20.302 -4.231 295 HB2 MET 125 HB2 MET 125 13.313 20.671 -4.947 296 HB3 MET 125 HB1 MET 125 13.618 20.919 -3.240 297 HG2 MET 125 HG2 MET 125 13.766 23.447 -3.865 298 HG3 MET 125 HG1 MET 125 12.939 22.964 -5.347 299 HE1 MET 125 HE1 MET 125 9.657 21.310 -3.693 300 HE2 MET 125 HE2 MET 125 11.183 20.471 -3.971 301 HE3 MET 125 HE3 MET 125 10.526 21.543 -5.209 302 H VAL 126 HN VAL 126 16.735 19.852 -6.015 303 HA VAL 126 HA VAL 126 16.632 21.622 -8.391 304 HB VAL 126 HB VAL 126 18.858 20.633 -9.027 305 HG11 VAL 126 HG11 VAL 126 18.851 21.988 -6.304 306 HG12 VAL 126 HG12 VAL 126 18.788 22.806 -7.868 307 HG13 VAL 126 HG13 VAL 126 20.226 21.895 -7.407 308 HG21 VAL 126 HG21 VAL 126 20.192 19.379 -7.343 309 HG22 VAL 126 HG22 VAL 126 18.727 18.500 -7.778 310 HG23 VAL 126 HG23 VAL 126 18.805 19.371 -6.246 311 HA PRO 127 HA PRO 127 14.490 18.194 -10.428 312 HB2 PRO 127 HB2 PRO 127 15.144 18.788 -13.066 313 HB3 PRO 127 HB1 PRO 127 13.847 19.569 -12.152 314 HG2 PRO 127 HG2 PRO 127 16.660 20.525 -12.659 315 HG3 PRO 127 HG1 PRO 127 15.131 21.425 -12.729 316 HD2 PRO 127 HD2 PRO 127 16.753 21.623 -10.596 317 HD3 PRO 127 HD1 PRO 127 14.985 21.626 -10.402 318 H LEU 128 HN LEU 128 14.979 16.123 -11.033 319 HA LEU 128 HA LEU 128 17.658 15.132 -11.015 320 HB2 LEU 128 HB2 LEU 128 15.054 13.786 -11.864 321 HB3 LEU 128 HB1 LEU 128 16.585 12.944 -11.694 322 HG LEU 128 HG LEU 128 15.124 14.321 -9.400 323 HD11 LEU 128 HD11 LEU 128 14.514 12.057 -8.628 324 HD12 LEU 128 HD12 LEU 128 15.228 11.362 -10.085 325 HD13 LEU 128 HD13 LEU 128 13.814 12.410 -10.209 326 HD21 LEU 128 HD21 LEU 128 17.519 12.450 -9.367 327 HD22 LEU 128 HD22 LEU 128 16.701 13.110 -7.948 328 HD23 LEU 128 HD23 LEU 128 17.557 14.187 -9.048 329 H GLU 129 HN GLU 129 19.010 15.597 -12.635 330 HA GLU 129 HA GLU 129 18.117 15.976 -15.389 331 HB2 GLU 129 HB2 GLU 129 20.907 16.214 -14.166 332 HB3 GLU 129 HB1 GLU 129 20.449 16.725 -15.794 333 HG2 GLU 129 HG2 GLU 129 18.878 18.386 -14.783 334 HG3 GLU 129 HG1 GLU 129 19.435 17.902 -13.181 335 H GLU 130 HN GLU 130 17.435 13.579 -15.247 336 HA GLU 130 HA GLU 130 19.592 11.654 -15.710 337 HB2 GLU 130 HB2 GLU 130 17.597 11.092 -14.233 338 HB3 GLU 130 HB1 GLU 130 16.576 11.127 -15.673 339 HG2 GLU 130 HG2 GLU 130 18.011 9.308 -16.658 340 HG3 GLU 130 HG1 GLU 130 18.901 9.234 -15.140 Start of MODEL 17 1 H GLY 86 HN GLY 86 9.011 -0.118 -17.678 2 HA2 GLY 86 HA2 GLY 86 10.696 -2.309 -16.843 3 HA3 GLY 86 HA1 GLY 86 11.018 -0.591 -16.648 4 H THR 87 HN THR 87 11.086 -3.014 -14.774 5 HA THR 87 HA THR 87 9.081 -2.807 -12.800 6 HB THR 87 HB THR 87 11.959 -3.776 -12.426 7 HG1 THR 87 HG1 THR 87 11.145 -5.070 -13.978 8 HG21 THR 87 HG21 THR 87 10.751 -3.456 -10.262 9 HG22 THR 87 HG22 THR 87 11.050 -5.163 -10.593 10 HG23 THR 87 HG23 THR 87 9.443 -4.482 -10.852 11 H GLN 88 HN GLN 88 12.196 -1.180 -13.184 12 HA GLN 88 HA GLN 88 11.925 0.457 -10.776 13 HB2 GLN 88 HB2 GLN 88 14.007 0.457 -13.008 14 HB3 GLN 88 HB1 GLN 88 14.126 1.386 -11.513 15 HG2 GLN 88 HG2 GLN 88 14.297 -0.682 -10.217 16 HG3 GLN 88 HG1 GLN 88 14.061 -1.652 -11.673 17 HE21 GLN 88 HE21 GLN 88 16.285 -1.648 -9.799 18 HE22 GLN 88 HE22 GLN 88 17.706 -1.323 -10.728 19 H GLY 89 HN GLY 89 9.778 0.811 -12.521 20 HA2 GLY 89 HA2 GLY 89 9.947 3.122 -14.169 21 HA3 GLY 89 HA1 GLY 89 8.487 2.439 -13.474 22 H GLU 90 HN GLU 90 11.061 4.733 -13.057 23 HA GLU 90 HA GLU 90 10.564 5.569 -10.385 24 HB2 GLU 90 HB2 GLU 90 11.958 7.143 -12.604 25 HB3 GLU 90 HB1 GLU 90 12.099 7.431 -10.869 26 HG2 GLU 90 HG2 GLU 90 13.073 4.974 -12.368 27 HG3 GLU 90 HG1 GLU 90 14.081 6.297 -11.778 28 H ARG 91 HN ARG 91 8.266 5.858 -10.366 29 HA ARG 91 HA ARG 91 7.237 8.238 -11.803 30 HB2 ARG 91 HB2 ARG 91 5.767 5.607 -11.301 31 HB3 ARG 91 HB1 ARG 91 5.062 7.033 -12.062 32 HG2 ARG 91 HG2 ARG 91 6.504 6.795 -13.992 33 HG3 ARG 91 HG1 ARG 91 7.432 5.516 -13.209 34 HD2 ARG 91 HD2 ARG 91 5.926 4.521 -14.825 35 HD3 ARG 91 HD1 ARG 91 5.401 4.080 -13.200 36 HE ARG 91 HE ARG 91 4.100 6.395 -14.356 37 HH11 ARG 91 HH11 ARG 91 3.901 2.912 -13.923 38 HH12 ARG 91 HH12 ARG 91 2.193 2.860 -14.216 39 HH21 ARG 91 HH21 ARG 91 1.880 6.284 -14.770 40 HH22 ARG 91 HH22 ARG 91 1.061 4.756 -14.705 41 H CYS 92 HN CYS 92 6.209 9.709 -10.591 42 HA CYS 92 HA CYS 92 5.791 9.476 -7.777 43 HB2 CYS 92 HB2 CYS 92 6.035 11.637 -9.256 44 HB3 CYS 92 HB1 CYS 92 4.297 11.444 -9.571 45 H ALA 93 HN ALA 93 4.382 7.864 -7.104 46 HA ALA 93 HA ALA 93 2.447 6.711 -8.843 47 HB1 ALA 93 HB1 ALA 93 1.992 5.181 -6.990 48 HB2 ALA 93 HB2 ALA 93 2.853 6.241 -5.873 49 HB3 ALA 93 HB3 ALA 93 3.729 5.430 -7.172 50 H VAL 94 HN VAL 94 2.196 9.361 -6.686 51 HA VAL 94 HA VAL 94 -0.542 9.368 -6.047 52 HB VAL 94 HB VAL 94 1.318 11.729 -6.561 53 HG11 VAL 94 HG11 VAL 94 -1.403 11.720 -5.183 54 HG12 VAL 94 HG12 VAL 94 -0.989 12.520 -6.702 55 HG13 VAL 94 HG13 VAL 94 -0.275 13.079 -5.193 56 HG21 VAL 94 HG21 VAL 94 2.128 10.266 -4.760 57 HG22 VAL 94 HG22 VAL 94 0.571 10.371 -3.937 58 HG23 VAL 94 HG23 VAL 94 1.583 11.809 -4.099 59 H HIS 95 HN HIS 95 1.157 10.553 -8.975 60 HA HIS 95 HA HIS 95 -1.425 11.322 -10.225 61 HB2 HIS 95 HB2 HIS 95 1.212 11.996 -11.538 62 HB3 HIS 95 HB1 HIS 95 -0.275 12.912 -11.508 63 HD1 HIS 95 HD1 HIS 95 -0.669 13.622 -8.590 64 HD2 HIS 95 HD2 HIS 95 3.048 13.431 -10.395 65 HE1 HIS 95 HE1 HIS 95 0.930 14.938 -7.118 66 H GLY 96 HN GLY 96 1.478 9.392 -10.578 67 HA2 GLY 96 HA2 GLY 96 1.666 7.340 -11.763 68 HA3 GLY 96 HA1 GLY 96 0.399 7.868 -12.861 69 H GLU 97 HN GLU 97 2.311 10.552 -12.518 70 HA GLU 97 HA GLU 97 3.623 10.228 -15.088 71 HB2 GLU 97 HB2 GLU 97 4.420 12.515 -14.776 72 HB3 GLU 97 HB1 GLU 97 2.741 12.449 -14.242 73 HG2 GLU 97 HG2 GLU 97 3.495 12.308 -11.884 74 HG3 GLU 97 HG1 GLU 97 5.177 12.401 -12.433 75 H ARG 98 HN ARG 98 5.960 10.355 -15.413 76 HA ARG 98 HA ARG 98 7.579 8.908 -13.538 77 HB2 ARG 98 HB2 ARG 98 7.936 8.811 -16.029 78 HB3 ARG 98 HB1 ARG 98 8.497 10.481 -15.993 79 HG2 ARG 98 HG2 ARG 98 10.392 9.821 -14.548 80 HG3 ARG 98 HG1 ARG 98 9.810 8.158 -14.533 81 HD2 ARG 98 HD2 ARG 98 11.635 8.311 -16.094 82 HD3 ARG 98 HD1 ARG 98 10.150 8.060 -17.014 83 HE ARG 98 HE ARG 98 11.723 10.544 -16.821 84 HH11 ARG 98 HH11 ARG 98 9.100 8.811 -18.390 85 HH12 ARG 98 HH12 ARG 98 8.968 9.957 -19.681 86 HH21 ARG 98 HH21 ARG 98 11.540 12.014 -18.493 87 HH22 ARG 98 HH22 ARG 98 10.362 11.773 -19.742 88 H LEU 99 HN LEU 99 8.716 9.743 -11.858 89 HA LEU 99 HA LEU 99 8.620 12.591 -11.313 90 HB2 LEU 99 HB2 LEU 99 9.245 12.038 -9.047 91 HB3 LEU 99 HB1 LEU 99 8.007 10.924 -9.567 92 HG LEU 99 HG LEU 99 10.070 9.293 -10.014 93 HD11 LEU 99 HD11 LEU 99 11.286 11.087 -7.892 94 HD12 LEU 99 HD12 LEU 99 11.868 10.900 -9.548 95 HD13 LEU 99 HD13 LEU 99 11.926 9.532 -8.436 96 HD21 LEU 99 HD21 LEU 99 9.840 8.340 -7.767 97 HD22 LEU 99 HD22 LEU 99 8.275 8.832 -8.403 98 HD23 LEU 99 HD23 LEU 99 9.083 9.829 -7.194 99 H HIS 100 HN HIS 100 10.319 13.954 -11.550 100 HA HIS 100 HA HIS 100 13.069 13.011 -11.218 101 HB2 HIS 100 HB2 HIS 100 12.041 14.482 -13.665 102 HB3 HIS 100 HB1 HIS 100 13.723 14.622 -13.191 103 HD1 HIS 100 HD1 HIS 100 15.142 12.359 -13.348 104 HD2 HIS 100 HD2 HIS 100 11.373 12.256 -15.086 105 HE1 HIS 100 HE1 HIS 100 15.089 10.289 -14.792 106 H LEU 101 HN LEU 101 13.018 14.009 -9.249 107 HA LEU 101 HA LEU 101 14.050 16.646 -9.198 108 HB2 LEU 101 HB2 LEU 101 11.477 17.041 -9.308 109 HB3 LEU 101 HB1 LEU 101 11.383 16.346 -7.709 110 HG LEU 101 HG LEU 101 11.293 18.900 -7.912 111 HD11 LEU 101 HD11 LEU 101 13.363 17.792 -6.008 112 HD12 LEU 101 HD12 LEU 101 11.617 17.802 -5.764 113 HD13 LEU 101 HD13 LEU 101 12.496 19.324 -5.854 114 HD21 LEU 101 HD21 LEU 101 13.377 20.133 -8.098 115 HD22 LEU 101 HD22 LEU 101 13.093 19.184 -9.551 116 HD23 LEU 101 HD23 LEU 101 14.280 18.639 -8.362 117 H PHE 102 HN PHE 102 15.037 17.028 -7.094 118 HA PHE 102 HA PHE 102 14.651 15.070 -4.952 119 HB2 PHE 102 HB2 PHE 102 16.595 14.203 -6.244 120 HB3 PHE 102 HB1 PHE 102 17.414 15.750 -6.073 121 HD1 PHE 102 HD1 PHE 102 18.582 16.319 -3.987 122 HD2 PHE 102 HD2 PHE 102 16.262 12.729 -4.238 123 HE1 PHE 102 HE1 PHE 102 19.545 15.542 -1.860 124 HE2 PHE 102 HE2 PHE 102 17.233 11.960 -2.111 125 HZ PHE 102 HZ PHE 102 18.873 13.362 -0.917 126 H CYS 103 HN CYS 103 14.242 16.229 -3.202 127 HA CYS 103 HA CYS 103 14.953 19.038 -3.018 128 HB2 CYS 103 HB2 CYS 103 12.739 18.203 -2.235 129 HB3 CYS 103 HB1 CYS 103 13.545 17.250 -0.994 130 HG CYS 103 HG CYS 103 13.169 20.621 -1.171 131 H GLU 104 HN GLU 104 16.751 19.776 -2.036 132 HA GLU 104 HA GLU 104 18.812 18.061 -1.060 133 HB2 GLU 104 HB2 GLU 104 18.496 21.088 -1.041 134 HB3 GLU 104 HB1 GLU 104 19.980 20.261 -0.564 135 HG2 GLU 104 HG2 GLU 104 18.701 19.990 -3.312 136 HG3 GLU 104 HG1 GLU 104 19.940 21.187 -2.917 137 H LYS 105 HN LYS 105 16.337 20.008 0.542 138 HA LYS 105 HA LYS 105 17.570 19.667 3.185 139 HB2 LYS 105 HB2 LYS 105 15.717 21.137 3.993 140 HB3 LYS 105 HB1 LYS 105 16.696 21.873 2.733 141 HG2 LYS 105 HG2 LYS 105 14.944 21.393 1.071 142 HG3 LYS 105 HG1 LYS 105 13.950 20.640 2.320 143 HD2 LYS 105 HD2 LYS 105 14.853 23.550 2.456 144 HD3 LYS 105 HD1 LYS 105 13.363 23.053 1.657 145 HE2 LYS 105 HE2 LYS 105 12.801 23.808 3.871 146 HE3 LYS 105 HE1 LYS 105 12.591 22.063 3.831 147 HZ1 LYS 105 HZ1 LYS 105 13.683 22.925 5.851 148 HZ2 LYS 105 HZ2 LYS 105 14.997 23.412 4.914 149 HZ3 LYS 105 HZ3 LYS 105 14.609 21.773 5.035 150 H ASP 106 HN ASP 106 14.662 18.642 1.423 151 HA ASP 106 HA ASP 106 13.504 17.224 3.671 152 HB2 ASP 106 HB2 ASP 106 12.083 18.312 1.965 153 HB3 ASP 106 HB1 ASP 106 12.752 17.270 0.721 154 H GLY 107 HN GLY 107 15.537 16.438 0.924 155 HA2 GLY 107 HA2 GLY 107 16.941 14.667 0.569 156 HA3 GLY 107 HA1 GLY 107 16.508 14.058 2.158 157 H LYS 108 HN LYS 108 14.333 14.625 -0.574 158 HA LYS 108 HA LYS 108 13.934 11.719 -0.931 159 HB2 LYS 108 HB2 LYS 108 11.756 13.788 -0.428 160 HB3 LYS 108 HB1 LYS 108 11.417 12.216 -1.150 161 HG2 LYS 108 HG2 LYS 108 12.668 12.617 1.594 162 HG3 LYS 108 HG1 LYS 108 10.949 12.316 1.305 163 HD2 LYS 108 HD2 LYS 108 13.223 10.418 0.546 164 HD3 LYS 108 HD1 LYS 108 12.204 10.259 1.983 165 HE2 LYS 108 HE2 LYS 108 10.241 9.857 0.621 166 HE3 LYS 108 HE1 LYS 108 11.118 10.245 -0.857 167 HZ1 LYS 108 HZ1 LYS 108 12.498 8.318 -0.515 168 HZ2 LYS 108 HZ2 LYS 108 10.860 7.882 -0.557 169 HZ3 LYS 108 HZ3 LYS 108 11.683 7.959 0.917 170 H ALA 109 HN ALA 109 13.324 11.046 -2.931 171 HA ALA 109 HA ALA 109 13.817 12.782 -5.202 172 HB1 ALA 109 HB1 ALA 109 14.702 10.498 -5.191 173 HB2 ALA 109 HB2 ALA 109 13.555 10.686 -6.517 174 HB3 ALA 109 HB3 ALA 109 13.075 9.832 -5.047 175 H LEU 110 HN LEU 110 12.206 14.181 -5.544 176 HA LEU 110 HA LEU 110 9.372 13.377 -5.399 177 HB2 LEU 110 HB2 LEU 110 10.625 16.147 -5.564 178 HB3 LEU 110 HB1 LEU 110 8.920 15.796 -5.305 179 HG LEU 110 HG LEU 110 11.183 15.151 -3.357 180 HD11 LEU 110 HD11 LEU 110 10.223 16.889 -1.918 181 HD12 LEU 110 HD12 LEU 110 9.026 17.280 -3.157 182 HD13 LEU 110 HD13 LEU 110 10.742 17.554 -3.465 183 HD21 LEU 110 HD21 LEU 110 9.407 14.507 -1.763 184 HD22 LEU 110 HD22 LEU 110 9.408 13.471 -3.186 185 HD23 LEU 110 HD23 LEU 110 8.185 14.735 -3.019 186 H CYS 111 HN CYS 111 8.040 14.872 -7.022 187 HA CYS 111 HA CYS 111 9.257 14.832 -9.735 188 HB2 CYS 111 HB2 CYS 111 7.073 14.615 -10.656 189 HB3 CYS 111 HB1 CYS 111 7.010 13.556 -9.245 190 H TRP 112 HN TRP 112 8.438 16.756 -11.114 191 HA TRP 112 HA TRP 112 8.973 19.252 -9.996 192 HB2 TRP 112 HB2 TRP 112 9.024 18.864 -12.424 193 HB3 TRP 112 HB1 TRP 112 7.283 18.616 -12.455 194 HD1 TRP 112 HD1 TRP 112 9.878 21.428 -11.919 195 HE1 TRP 112 HE1 TRP 112 8.786 23.696 -12.434 196 HE3 TRP 112 HE3 TRP 112 5.060 19.879 -12.615 197 HZ2 TRP 112 HZ2 TRP 112 6.232 24.716 -13.021 198 HZ3 TRP 112 HZ3 TRP 112 3.339 21.570 -13.118 199 HH2 TRP 112 HH2 TRP 112 3.915 23.943 -13.316 200 H VAL 113 HN VAL 113 5.789 17.723 -10.553 201 HA VAL 113 HA VAL 113 4.087 19.845 -9.960 202 HB VAL 113 HB VAL 113 3.630 16.844 -9.633 203 HG11 VAL 113 HG11 VAL 113 1.960 17.994 -8.236 204 HG12 VAL 113 HG12 VAL 113 1.181 17.331 -9.673 205 HG13 VAL 113 HG13 VAL 113 1.534 19.057 -9.579 206 HG21 VAL 113 HG21 VAL 113 2.868 18.778 -11.861 207 HG22 VAL 113 HG22 VAL 113 2.470 17.058 -11.821 208 HG23 VAL 113 HG23 VAL 113 4.155 17.571 -11.930 209 H CYS 114 HN CYS 114 5.357 17.384 -7.689 210 HA CYS 114 HA CYS 114 3.955 18.475 -5.404 211 HB2 CYS 114 HB2 CYS 114 6.119 16.349 -5.562 212 HB3 CYS 114 HB1 CYS 114 5.290 16.802 -4.074 213 H ALA 115 HN ALA 115 6.986 19.144 -6.972 214 HA ALA 115 HA ALA 115 8.291 20.352 -4.662 215 HB1 ALA 115 HB1 ALA 115 10.017 21.002 -6.300 216 HB2 ALA 115 HB2 ALA 115 8.977 20.467 -7.625 217 HB3 ALA 115 HB3 ALA 115 9.601 19.294 -6.464 218 H GLN 116 HN GLN 116 6.273 21.316 -7.340 219 HA GLN 116 HA GLN 116 6.618 24.201 -6.773 220 HB2 GLN 116 HB2 GLN 116 5.912 22.870 -9.426 221 HB3 GLN 116 HB1 GLN 116 6.160 24.599 -9.160 222 HG2 GLN 116 HG2 GLN 116 8.258 22.419 -8.884 223 HG3 GLN 116 HG1 GLN 116 8.123 23.567 -10.212 224 HE21 GLN 116 HE21 GLN 116 7.595 25.889 -8.598 225 HE22 GLN 116 HE22 GLN 116 9.049 26.268 -7.757 226 H SER 117 HN SER 117 4.628 22.028 -5.825 227 HA SER 117 HA SER 117 2.032 22.869 -6.672 228 HB2 SER 117 HB2 SER 117 2.455 20.642 -5.696 229 HB3 SER 117 HB1 SER 117 2.909 21.369 -4.160 230 HG SER 117 HG SER 117 0.453 20.820 -5.178 231 H ARG 118 HN ARG 118 0.437 23.829 -5.096 232 HA ARG 118 HA ARG 118 1.230 26.400 -4.255 233 HB2 ARG 118 HB2 ARG 118 -1.128 25.736 -4.858 234 HB3 ARG 118 HB1 ARG 118 -1.233 24.848 -3.342 235 HG2 ARG 118 HG2 ARG 118 -0.896 27.007 -2.095 236 HG3 ARG 118 HG1 ARG 118 -0.897 27.860 -3.641 237 HD2 ARG 118 HD2 ARG 118 -3.098 28.026 -2.613 238 HD3 ARG 118 HD1 ARG 118 -3.205 27.038 -4.076 239 HE ARG 118 HE ARG 118 -3.027 25.869 -1.363 240 HH11 ARG 118 HH11 ARG 118 -4.561 25.903 -4.510 241 HH12 ARG 118 HH12 ARG 118 -5.677 24.652 -4.085 242 HH21 ARG 118 HH21 ARG 118 -4.454 24.227 -0.875 243 HH22 ARG 118 HH22 ARG 118 -5.606 23.709 -2.059 244 H LYS 119 HN LYS 119 1.757 27.234 -2.241 245 HA LYS 119 HA LYS 119 2.478 27.413 -0.115 246 HB2 LYS 119 HB2 LYS 119 0.589 26.141 0.714 247 HB3 LYS 119 HB1 LYS 119 1.328 24.624 0.270 248 HG2 LYS 119 HG2 LYS 119 2.596 26.383 2.386 249 HG3 LYS 119 HG1 LYS 119 1.240 25.327 2.788 250 HD2 LYS 119 HD2 LYS 119 3.959 24.477 1.698 251 HD3 LYS 119 HD1 LYS 119 3.369 24.234 3.349 252 HE2 LYS 119 HE2 LYS 119 1.607 22.707 2.465 253 HE3 LYS 119 HE1 LYS 119 2.218 22.954 0.828 254 HZ1 LYS 119 HZ1 LYS 119 4.339 22.006 1.551 255 HZ2 LYS 119 HZ2 LYS 119 3.053 20.921 1.715 256 HZ3 LYS 119 HZ3 LYS 119 3.676 21.697 3.079 257 H HIS 120 HN HIS 120 3.385 24.383 -1.741 258 HA HIS 120 HA HIS 120 5.977 24.071 -0.604 259 HB2 HIS 120 HB2 HIS 120 5.021 23.178 -3.376 260 HB3 HIS 120 HB1 HIS 120 6.427 22.561 -2.514 261 HD1 HIS 120 HD1 HIS 120 2.638 22.585 -2.264 262 HD2 HIS 120 HD2 HIS 120 5.919 20.479 -0.830 263 HE1 HIS 120 HE1 HIS 120 1.713 20.585 -1.048 264 H ARG 121 HN ARG 121 7.340 25.759 -0.645 265 HA ARG 121 HA ARG 121 7.284 27.742 -2.782 266 HB2 ARG 121 HB2 ARG 121 8.673 29.102 -1.281 267 HB3 ARG 121 HB1 ARG 121 7.288 28.456 -0.404 268 HG2 ARG 121 HG2 ARG 121 8.863 26.637 0.470 269 HG3 ARG 121 HG1 ARG 121 10.188 27.579 -0.219 270 HD2 ARG 121 HD2 ARG 121 8.249 28.492 1.937 271 HD3 ARG 121 HD1 ARG 121 9.941 28.044 2.166 272 HE ARG 121 HE ARG 121 10.004 30.084 0.337 273 HH11 ARG 121 HH11 ARG 121 8.812 29.754 3.621 274 HH12 ARG 121 HH12 ARG 121 9.052 31.428 4.000 275 HH21 ARG 121 HH21 ARG 121 10.315 32.280 0.864 276 HH22 ARG 121 HH22 ARG 121 9.902 32.852 2.452 277 H ASP 122 HN ASP 122 9.234 28.522 -3.839 278 HA ASP 122 HA ASP 122 10.986 26.469 -4.810 279 HB2 ASP 122 HB2 ASP 122 10.869 29.482 -5.211 280 HB3 ASP 122 HB1 ASP 122 12.176 28.522 -5.900 281 H HIS 123 HN HIS 123 12.279 25.623 -3.307 282 HA HIS 123 HA HIS 123 14.370 27.349 -2.107 283 HB2 HIS 123 HB2 HIS 123 14.505 25.598 -0.261 284 HB3 HIS 123 HB1 HIS 123 13.017 26.531 -0.265 285 HD1 HIS 123 HD1 HIS 123 10.857 25.231 -0.379 286 HD2 HIS 123 HD2 HIS 123 14.174 22.875 -1.224 287 HE1 HIS 123 HE1 HIS 123 10.045 22.850 -0.397 288 H ALA 124 HN ALA 124 15.971 25.031 -1.303 289 HA ALA 124 HA ALA 124 17.426 24.546 -3.698 290 HB1 ALA 124 HB1 ALA 124 18.861 23.130 -2.303 291 HB2 ALA 124 HB2 ALA 124 17.658 23.148 -1.012 292 HB3 ALA 124 HB3 ALA 124 18.486 24.639 -1.468 293 H MET 125 HN MET 125 15.994 23.626 -5.157 294 HA MET 125 HA MET 125 15.329 20.748 -4.837 295 HB2 MET 125 HB2 MET 125 13.884 22.924 -6.424 296 HB3 MET 125 HB1 MET 125 13.532 21.208 -6.591 297 HG2 MET 125 HG2 MET 125 13.141 22.881 -4.094 298 HG3 MET 125 HG1 MET 125 11.879 22.300 -5.186 299 HE1 MET 125 HE1 MET 125 10.832 21.460 -2.692 300 HE2 MET 125 HE2 MET 125 10.856 19.699 -2.615 301 HE3 MET 125 HE3 MET 125 10.377 20.508 -4.107 302 H VAL 126 HN VAL 126 16.569 19.506 -6.168 303 HA VAL 126 HA VAL 126 17.847 20.705 -8.564 304 HB VAL 126 HB VAL 126 19.785 19.193 -8.202 305 HG11 VAL 126 HG11 VAL 126 19.872 21.479 -7.286 306 HG12 VAL 126 HG12 VAL 126 20.774 20.362 -6.263 307 HG13 VAL 126 HG13 VAL 126 19.173 20.917 -5.765 308 HG21 VAL 126 HG21 VAL 126 18.428 18.384 -5.588 309 HG22 VAL 126 HG22 VAL 126 20.065 17.930 -6.077 310 HG23 VAL 126 HG23 VAL 126 18.672 17.345 -6.991 311 HA PRO 127 HA PRO 127 15.761 17.527 -10.928 312 HB2 PRO 127 HB2 PRO 127 17.344 17.347 -13.169 313 HB3 PRO 127 HB1 PRO 127 16.336 18.767 -12.828 314 HG2 PRO 127 HG2 PRO 127 19.287 18.363 -12.282 315 HG3 PRO 127 HG1 PRO 127 18.474 19.750 -13.047 316 HD2 PRO 127 HD2 PRO 127 19.182 19.796 -10.426 317 HD3 PRO 127 HD1 PRO 127 17.696 20.591 -10.994 318 H LEU 128 HN LEU 128 15.756 15.335 -11.322 319 HA LEU 128 HA LEU 128 18.107 13.707 -10.636 320 HB2 LEU 128 HB2 LEU 128 15.218 12.938 -11.258 321 HB3 LEU 128 HB1 LEU 128 16.502 11.764 -10.987 322 HG LEU 128 HG LEU 128 15.477 13.765 -8.928 323 HD11 LEU 128 HD11 LEU 128 14.534 11.822 -7.784 324 HD12 LEU 128 HD12 LEU 128 15.077 10.762 -9.087 325 HD13 LEU 128 HD13 LEU 128 13.853 11.996 -9.399 326 HD21 LEU 128 HD21 LEU 128 16.901 12.567 -7.304 327 HD22 LEU 128 HD22 LEU 128 17.873 13.299 -8.575 328 HD23 LEU 128 HD23 LEU 128 17.561 11.562 -8.599 329 H GLU 129 HN GLU 129 19.318 12.793 -12.189 330 HA GLU 129 HA GLU 129 18.227 12.325 -14.897 331 HB2 GLU 129 HB2 GLU 129 20.265 13.074 -15.989 332 HB3 GLU 129 HB1 GLU 129 19.707 14.383 -14.956 333 HG2 GLU 129 HG2 GLU 129 22.012 12.480 -14.362 334 HG3 GLU 129 HG1 GLU 129 22.160 14.153 -14.905 335 H GLU 130 HN GLU 130 19.685 10.703 -16.084 336 HA GLU 130 HA GLU 130 20.819 8.693 -14.265 337 HB2 GLU 130 HB2 GLU 130 19.462 6.906 -15.524 338 HB3 GLU 130 HB1 GLU 130 18.588 7.909 -14.369 339 HG2 GLU 130 HG2 GLU 130 17.737 9.297 -16.250 340 HG3 GLU 130 HG1 GLU 130 18.548 8.226 -17.393 Start of MODEL 18 1 H GLY 86 HN GLY 86 8.318 -3.825 -7.877 2 HA2 GLY 86 HA2 GLY 86 9.181 -5.491 -9.970 3 HA3 GLY 86 HA1 GLY 86 8.502 -4.034 -10.690 4 H THR 87 HN THR 87 9.229 -2.082 -9.019 5 HA THR 87 HA THR 87 12.131 -2.103 -8.631 6 HB THR 87 HB THR 87 11.798 -1.548 -11.068 7 HG1 THR 87 HG1 THR 87 13.534 -0.412 -10.715 8 HG21 THR 87 HG21 THR 87 9.583 -0.447 -10.915 9 HG22 THR 87 HG22 THR 87 10.757 0.591 -11.722 10 HG23 THR 87 HG23 THR 87 10.315 0.905 -10.045 11 H GLN 88 HN GLN 88 12.683 0.430 -8.130 12 HA GLN 88 HA GLN 88 11.424 1.126 -5.681 13 HB2 GLN 88 HB2 GLN 88 12.909 3.105 -5.741 14 HB3 GLN 88 HB1 GLN 88 13.785 1.642 -6.181 15 HG2 GLN 88 HG2 GLN 88 13.662 2.238 -8.559 16 HG3 GLN 88 HG1 GLN 88 12.712 3.672 -8.174 17 HE21 GLN 88 HE21 GLN 88 15.296 3.443 -9.559 18 HE22 GLN 88 HE22 GLN 88 16.397 4.430 -8.664 19 H GLY 89 HN GLY 89 10.817 3.606 -5.383 20 HA2 GLY 89 HA2 GLY 89 8.479 4.244 -6.935 21 HA3 GLY 89 HA1 GLY 89 9.184 5.206 -5.642 22 H GLU 90 HN GLU 90 9.705 4.272 -9.024 23 HA GLU 90 HA GLU 90 11.312 6.619 -9.672 24 HB2 GLU 90 HB2 GLU 90 11.265 5.685 -11.979 25 HB3 GLU 90 HB1 GLU 90 11.807 4.517 -10.782 26 HG2 GLU 90 HG2 GLU 90 9.784 3.263 -10.896 27 HG3 GLU 90 HG1 GLU 90 8.918 4.576 -11.692 28 H ARG 91 HN ARG 91 8.010 5.807 -9.541 29 HA ARG 91 HA ARG 91 7.189 8.149 -11.166 30 HB2 ARG 91 HB2 ARG 91 5.683 5.532 -10.661 31 HB3 ARG 91 HB1 ARG 91 5.019 6.921 -11.518 32 HG2 ARG 91 HG2 ARG 91 6.605 6.649 -13.322 33 HG3 ARG 91 HG1 ARG 91 7.471 5.389 -12.440 34 HD2 ARG 91 HD2 ARG 91 5.516 3.910 -12.589 35 HD3 ARG 91 HD1 ARG 91 4.592 5.179 -13.397 36 HE ARG 91 HE ARG 91 6.118 5.004 -15.279 37 HH11 ARG 91 HH11 ARG 91 6.226 2.299 -13.043 38 HH12 ARG 91 HH12 ARG 91 6.837 1.192 -14.224 39 HH21 ARG 91 HH21 ARG 91 6.906 3.549 -16.811 40 HH22 ARG 91 HH22 ARG 91 7.197 1.895 -16.368 41 H CYS 92 HN CYS 92 5.996 9.656 -10.131 42 HA CYS 92 HA CYS 92 5.527 9.587 -7.309 43 HB2 CYS 92 HB2 CYS 92 5.858 11.659 -8.853 44 HB3 CYS 92 HB1 CYS 92 4.163 11.452 -9.317 45 H ALA 93 HN ALA 93 4.083 8.057 -6.575 46 HA ALA 93 HA ALA 93 2.211 6.726 -8.206 47 HB1 ALA 93 HB1 ALA 93 2.380 6.769 -5.179 48 HB2 ALA 93 HB2 ALA 93 3.307 5.714 -6.248 49 HB3 ALA 93 HB3 ALA 93 1.553 5.554 -6.155 50 H VAL 94 HN VAL 94 1.882 9.611 -6.369 51 HA VAL 94 HA VAL 94 -0.875 9.728 -5.883 52 HB VAL 94 HB VAL 94 0.994 12.074 -6.455 53 HG11 VAL 94 HG11 VAL 94 -1.599 12.005 -4.863 54 HG12 VAL 94 HG12 VAL 94 -1.357 12.767 -6.435 55 HG13 VAL 94 HG13 VAL 94 -0.523 13.400 -5.017 56 HG21 VAL 94 HG21 VAL 94 0.458 10.707 -3.785 57 HG22 VAL 94 HG22 VAL 94 1.423 12.168 -4.017 58 HG23 VAL 94 HG23 VAL 94 1.961 10.638 -4.707 59 H HIS 95 HN HIS 95 0.991 10.630 -8.811 60 HA HIS 95 HA HIS 95 -1.529 11.412 -10.204 61 HB2 HIS 95 HB2 HIS 95 1.157 11.988 -11.445 62 HB3 HIS 95 HB1 HIS 95 -0.332 12.904 -11.541 63 HD1 HIS 95 HD1 HIS 95 -0.756 13.508 -8.494 64 HD2 HIS 95 HD2 HIS 95 2.831 13.807 -10.541 65 HE1 HIS 95 HE1 HIS 95 0.786 14.903 -7.052 66 H GLY 96 HN GLY 96 1.363 9.422 -10.383 67 HA2 GLY 96 HA2 GLY 96 1.572 7.321 -11.423 68 HA3 GLY 96 HA1 GLY 96 0.163 7.668 -12.412 69 H GLU 97 HN GLU 97 2.711 10.054 -12.140 70 HA GLU 97 HA GLU 97 3.773 9.326 -14.812 71 HB2 GLU 97 HB2 GLU 97 4.448 11.790 -14.989 72 HB3 GLU 97 HB1 GLU 97 2.735 11.441 -15.107 73 HG2 GLU 97 HG2 GLU 97 2.885 13.410 -13.825 74 HG3 GLU 97 HG1 GLU 97 2.533 12.129 -12.671 75 H ARG 98 HN ARG 98 6.033 9.568 -15.152 76 HA ARG 98 HA ARG 98 7.616 8.608 -12.994 77 HB2 ARG 98 HB2 ARG 98 8.033 7.869 -15.299 78 HB3 ARG 98 HB1 ARG 98 8.462 9.508 -15.780 79 HG2 ARG 98 HG2 ARG 98 10.491 9.461 -14.484 80 HG3 ARG 98 HG1 ARG 98 10.004 7.980 -13.652 81 HD2 ARG 98 HD2 ARG 98 10.609 8.182 -16.628 82 HD3 ARG 98 HD1 ARG 98 11.733 7.585 -15.401 83 HE ARG 98 HE ARG 98 9.951 5.846 -14.921 84 HH11 ARG 98 HH11 ARG 98 10.425 7.141 -18.157 85 HH12 ARG 98 HH12 ARG 98 9.728 5.758 -18.934 86 HH21 ARG 98 HH21 ARG 98 9.086 4.044 -15.944 87 HH22 ARG 98 HH22 ARG 98 8.981 3.996 -17.682 88 H LEU 99 HN LEU 99 8.760 9.708 -11.568 89 HA LEU 99 HA LEU 99 8.446 12.577 -11.449 90 HB2 LEU 99 HB2 LEU 99 9.220 12.329 -9.132 91 HB3 LEU 99 HB1 LEU 99 7.928 11.214 -9.504 92 HG LEU 99 HG LEU 99 9.929 9.492 -9.859 93 HD11 LEU 99 HD11 LEU 99 11.776 11.050 -9.590 94 HD12 LEU 99 HD12 LEU 99 11.824 9.801 -8.348 95 HD13 LEU 99 HD13 LEU 99 11.252 11.423 -7.946 96 HD21 LEU 99 HD21 LEU 99 8.132 9.270 -8.180 97 HD22 LEU 99 HD22 LEU 99 9.070 10.258 -7.055 98 HD23 LEU 99 HD23 LEU 99 9.690 8.691 -7.600 99 H HIS 100 HN HIS 100 10.007 14.094 -11.744 100 HA HIS 100 HA HIS 100 12.812 13.411 -11.314 101 HB2 HIS 100 HB2 HIS 100 11.715 14.342 -13.944 102 HB3 HIS 100 HB1 HIS 100 13.203 15.121 -13.425 103 HD1 HIS 100 HD1 HIS 100 15.343 13.623 -13.314 104 HD2 HIS 100 HD2 HIS 100 11.960 11.674 -14.739 105 HE1 HIS 100 HE1 HIS 100 16.146 11.451 -14.308 106 H LEU 101 HN LEU 101 12.794 14.498 -9.472 107 HA LEU 101 HA LEU 101 13.646 17.211 -9.596 108 HB2 LEU 101 HB2 LEU 101 11.019 17.322 -9.354 109 HB3 LEU 101 HB1 LEU 101 11.265 16.725 -7.734 110 HG LEU 101 HG LEU 101 10.873 19.188 -7.869 111 HD11 LEU 101 HD11 LEU 101 12.042 18.296 -5.917 112 HD12 LEU 101 HD12 LEU 101 12.576 19.927 -6.316 113 HD13 LEU 101 HD13 LEU 101 13.594 18.545 -6.726 114 HD21 LEU 101 HD21 LEU 101 11.958 19.650 -10.000 115 HD22 LEU 101 HD22 LEU 101 13.542 19.304 -9.299 116 HD23 LEU 101 HD23 LEU 101 12.605 20.688 -8.733 117 H PHE 102 HN PHE 102 15.094 17.486 -7.801 118 HA PHE 102 HA PHE 102 15.069 15.416 -5.693 119 HB2 PHE 102 HB2 PHE 102 16.909 15.011 -7.409 120 HB3 PHE 102 HB1 PHE 102 17.619 16.553 -6.926 121 HD1 PHE 102 HD1 PHE 102 16.336 13.394 -5.321 122 HD2 PHE 102 HD2 PHE 102 19.334 16.450 -5.285 123 HE1 PHE 102 HE1 PHE 102 17.482 12.252 -3.461 124 HE2 PHE 102 HE2 PHE 102 20.474 15.293 -3.435 125 HZ PHE 102 HZ PHE 102 19.552 13.199 -2.519 126 H CYS 103 HN CYS 103 14.647 16.395 -3.840 127 HA CYS 103 HA CYS 103 15.329 19.222 -3.384 128 HB2 CYS 103 HB2 CYS 103 12.983 18.517 -2.981 129 HB3 CYS 103 HB1 CYS 103 13.535 17.348 -1.785 130 HG CYS 103 HG CYS 103 12.393 19.993 -0.890 131 H GLU 104 HN GLU 104 16.870 19.796 -1.974 132 HA GLU 104 HA GLU 104 18.725 17.883 -0.939 133 HB2 GLU 104 HB2 GLU 104 18.577 20.896 -0.531 134 HB3 GLU 104 HB1 GLU 104 19.950 19.887 -0.096 135 HG2 GLU 104 HG2 GLU 104 18.914 20.334 -2.914 136 HG3 GLU 104 HG1 GLU 104 20.307 21.141 -2.193 137 H LYS 105 HN LYS 105 16.548 20.289 0.589 138 HA LYS 105 HA LYS 105 17.198 19.691 3.279 139 HB2 LYS 105 HB2 LYS 105 15.213 21.012 3.896 140 HB3 LYS 105 HB1 LYS 105 16.115 21.812 2.614 141 HG2 LYS 105 HG2 LYS 105 14.498 21.041 0.942 142 HG3 LYS 105 HG1 LYS 105 13.602 20.160 2.178 143 HD2 LYS 105 HD2 LYS 105 13.974 23.176 2.074 144 HD3 LYS 105 HD1 LYS 105 12.520 22.310 1.580 145 HE2 LYS 105 HE2 LYS 105 13.666 22.354 4.393 146 HE3 LYS 105 HE1 LYS 105 12.299 23.312 3.830 147 HZ1 LYS 105 HZ1 LYS 105 11.103 21.240 3.381 148 HZ2 LYS 105 HZ2 LYS 105 11.550 21.366 5.007 149 HZ3 LYS 105 HZ3 LYS 105 12.410 20.345 3.975 150 H ASP 106 HN ASP 106 14.746 18.407 1.111 151 HA ASP 106 HA ASP 106 13.419 16.794 3.139 152 HB2 ASP 106 HB2 ASP 106 12.188 17.936 1.256 153 HB3 ASP 106 HB1 ASP 106 13.020 16.892 0.112 154 H GLY 107 HN GLY 107 15.830 16.449 0.618 155 HA2 GLY 107 HA2 GLY 107 17.331 14.797 0.109 156 HA3 GLY 107 HA1 GLY 107 16.900 14.024 1.630 157 H LYS 108 HN LYS 108 14.766 14.749 -1.090 158 HA LYS 108 HA LYS 108 14.273 11.869 -1.528 159 HB2 LYS 108 HB2 LYS 108 12.227 14.029 -0.888 160 HB3 LYS 108 HB1 LYS 108 11.766 12.533 -1.689 161 HG2 LYS 108 HG2 LYS 108 13.106 12.657 1.035 162 HG3 LYS 108 HG1 LYS 108 11.362 12.557 0.786 163 HD2 LYS 108 HD2 LYS 108 13.385 10.479 -0.160 164 HD3 LYS 108 HD1 LYS 108 12.373 10.328 1.278 165 HE2 LYS 108 HE2 LYS 108 11.384 10.484 -1.602 166 HE3 LYS 108 HE1 LYS 108 11.414 9.041 -0.590 167 HZ1 LYS 108 HZ1 LYS 108 9.801 11.479 -0.074 168 HZ2 LYS 108 HZ2 LYS 108 9.828 10.090 0.890 169 HZ3 LYS 108 HZ3 LYS 108 9.215 10.012 -0.685 170 H ALA 109 HN ALA 109 13.665 11.297 -3.523 171 HA ALA 109 HA ALA 109 13.964 13.167 -5.722 172 HB1 ALA 109 HB1 ALA 109 13.685 11.139 -7.128 173 HB2 ALA 109 HB2 ALA 109 13.357 10.180 -5.682 174 HB3 ALA 109 HB3 ALA 109 14.940 10.923 -5.908 175 H LEU 110 HN LEU 110 12.267 14.521 -5.751 176 HA LEU 110 HA LEU 110 9.485 13.599 -5.536 177 HB2 LEU 110 HB2 LEU 110 10.566 16.429 -5.874 178 HB3 LEU 110 HB1 LEU 110 8.921 15.981 -5.450 179 HG LEU 110 HG LEU 110 11.360 15.499 -3.686 180 HD11 LEU 110 HD11 LEU 110 10.872 17.891 -3.844 181 HD12 LEU 110 HD12 LEU 110 10.472 17.284 -2.239 182 HD13 LEU 110 HD13 LEU 110 9.185 17.601 -3.406 183 HD21 LEU 110 HD21 LEU 110 9.729 14.893 -1.922 184 HD22 LEU 110 HD22 LEU 110 9.636 13.796 -3.296 185 HD23 LEU 110 HD23 LEU 110 8.408 15.046 -3.087 186 H CYS 111 HN CYS 111 8.010 15.025 -7.175 187 HA CYS 111 HA CYS 111 9.101 14.689 -9.916 188 HB2 CYS 111 HB2 CYS 111 6.928 14.262 -10.717 189 HB3 CYS 111 HB1 CYS 111 6.889 13.465 -9.147 190 H TRP 112 HN TRP 112 8.502 16.371 -11.481 191 HA TRP 112 HA TRP 112 8.980 18.998 -10.652 192 HB2 TRP 112 HB2 TRP 112 9.403 18.216 -12.944 193 HB3 TRP 112 HB1 TRP 112 7.681 17.985 -13.212 194 HD1 TRP 112 HD1 TRP 112 10.094 20.959 -12.404 195 HE1 TRP 112 HE1 TRP 112 9.222 23.048 -13.619 196 HE3 TRP 112 HE3 TRP 112 5.822 19.005 -14.450 197 HZ2 TRP 112 HZ2 TRP 112 7.019 23.786 -15.219 198 HZ3 TRP 112 HZ3 TRP 112 4.377 20.479 -15.799 199 HH2 TRP 112 HH2 TRP 112 4.967 22.823 -16.175 200 H VAL 113 HN VAL 113 5.940 17.275 -11.087 201 HA VAL 113 HA VAL 113 4.131 19.443 -11.076 202 HB VAL 113 HB VAL 113 3.567 16.600 -10.101 203 HG11 VAL 113 HG11 VAL 113 1.235 17.038 -10.814 204 HG12 VAL 113 HG12 VAL 113 1.677 18.691 -11.249 205 HG13 VAL 113 HG13 VAL 113 1.750 18.172 -9.566 206 HG21 VAL 113 HG21 VAL 113 4.619 16.525 -12.329 207 HG22 VAL 113 HG22 VAL 113 3.437 17.681 -12.948 208 HG23 VAL 113 HG23 VAL 113 2.916 16.074 -12.437 209 H CYS 114 HN CYS 114 5.436 17.460 -8.386 210 HA CYS 114 HA CYS 114 3.922 18.839 -6.329 211 HB2 CYS 114 HB2 CYS 114 6.132 16.762 -6.118 212 HB3 CYS 114 HB1 CYS 114 5.377 17.500 -4.709 213 H ALA 115 HN ALA 115 6.962 19.323 -7.919 214 HA ALA 115 HA ALA 115 8.104 21.161 -6.030 215 HB1 ALA 115 HB1 ALA 115 8.574 20.918 -9.020 216 HB2 ALA 115 HB2 ALA 115 9.451 20.041 -7.767 217 HB3 ALA 115 HB3 ALA 115 9.590 21.796 -7.877 218 H GLN 116 HN GLN 116 5.944 21.427 -8.827 219 HA GLN 116 HA GLN 116 5.861 24.340 -8.737 220 HB2 GLN 116 HB2 GLN 116 4.522 22.348 -10.598 221 HB3 GLN 116 HB1 GLN 116 4.344 24.094 -10.737 222 HG2 GLN 116 HG2 GLN 116 7.000 22.647 -10.911 223 HG3 GLN 116 HG1 GLN 116 6.010 23.061 -12.305 224 HE21 GLN 116 HE21 GLN 116 7.596 24.378 -13.214 225 HE22 GLN 116 HE22 GLN 116 8.032 25.912 -12.560 226 H SER 117 HN SER 117 4.058 21.773 -7.313 227 HA SER 117 HA SER 117 1.638 23.266 -6.877 228 HB2 SER 117 HB2 SER 117 1.174 21.591 -5.092 229 HB3 SER 117 HB1 SER 117 1.664 20.805 -6.592 230 HG SER 117 HG SER 117 3.863 21.245 -5.194 231 H ARG 118 HN ARG 118 1.647 25.174 -5.797 232 HA ARG 118 HA ARG 118 4.020 26.004 -4.370 233 HB2 ARG 118 HB2 ARG 118 2.603 27.433 -6.017 234 HB3 ARG 118 HB1 ARG 118 1.511 27.685 -4.661 235 HG2 ARG 118 HG2 ARG 118 3.438 28.641 -3.354 236 HG3 ARG 118 HG1 ARG 118 4.440 28.478 -4.796 237 HD2 ARG 118 HD2 ARG 118 2.809 29.993 -6.000 238 HD3 ARG 118 HD1 ARG 118 2.001 30.244 -4.449 239 HE ARG 118 HE ARG 118 4.580 30.858 -3.887 240 HH11 ARG 118 HH11 ARG 118 2.366 32.046 -6.351 241 HH12 ARG 118 HH12 ARG 118 3.131 33.600 -6.448 242 HH21 ARG 118 HH21 ARG 118 5.580 32.890 -4.069 243 HH22 ARG 118 HH22 ARG 118 4.936 34.068 -5.171 244 H LYS 119 HN LYS 119 1.525 24.197 -3.266 245 HA LYS 119 HA LYS 119 1.172 25.038 -0.601 246 HB2 LYS 119 HB2 LYS 119 1.375 22.241 -1.758 247 HB3 LYS 119 HB1 LYS 119 0.855 22.605 -0.110 248 HG2 LYS 119 HG2 LYS 119 -0.968 24.078 -1.162 249 HG3 LYS 119 HG1 LYS 119 -0.543 23.317 -2.699 250 HD2 LYS 119 HD2 LYS 119 -1.374 21.829 -0.207 251 HD3 LYS 119 HD1 LYS 119 -2.474 22.240 -1.521 252 HE2 LYS 119 HE2 LYS 119 -1.193 20.815 -3.064 253 HE3 LYS 119 HE1 LYS 119 -0.021 20.455 -1.792 254 HZ1 LYS 119 HZ1 LYS 119 -2.899 19.735 -1.763 255 HZ2 LYS 119 HZ2 LYS 119 -1.801 19.429 -0.514 256 HZ3 LYS 119 HZ3 LYS 119 -1.603 18.674 -2.016 257 H HIS 120 HN HIS 120 3.971 23.969 -2.269 258 HA HIS 120 HA HIS 120 5.568 23.635 0.203 259 HB2 HIS 120 HB2 HIS 120 6.308 22.990 -2.698 260 HB3 HIS 120 HB1 HIS 120 7.230 22.552 -1.258 261 HD1 HIS 120 HD1 HIS 120 4.033 21.671 -3.079 262 HD2 HIS 120 HD2 HIS 120 6.362 20.270 0.072 263 HE1 HIS 120 HE1 HIS 120 3.006 19.477 -2.372 264 H ARG 121 HN ARG 121 8.000 24.497 -0.482 265 HA ARG 121 HA ARG 121 7.830 27.160 -1.688 266 HB2 ARG 121 HB2 ARG 121 7.301 27.407 0.765 267 HB3 ARG 121 HB1 ARG 121 8.885 26.746 1.145 268 HG2 ARG 121 HG2 ARG 121 9.984 28.661 0.135 269 HG3 ARG 121 HG1 ARG 121 8.444 29.279 -0.463 270 HD2 ARG 121 HD2 ARG 121 9.235 29.013 2.462 271 HD3 ARG 121 HD1 ARG 121 9.186 30.520 1.539 272 HE ARG 121 HE ARG 121 6.708 28.945 1.764 273 HH11 ARG 121 HH11 ARG 121 8.452 31.853 2.682 274 HH12 ARG 121 HH12 ARG 121 7.064 32.587 3.414 275 HH21 ARG 121 HH21 ARG 121 4.911 29.928 2.715 276 HH22 ARG 121 HH22 ARG 121 5.063 31.504 3.424 277 H ASP 122 HN ASP 122 9.684 27.819 -2.613 278 HA ASP 122 HA ASP 122 11.651 25.945 -3.367 279 HB2 ASP 122 HB2 ASP 122 11.575 28.984 -3.641 280 HB3 ASP 122 HB1 ASP 122 12.842 27.984 -4.349 281 H HIS 123 HN HIS 123 12.783 25.098 -1.689 282 HA HIS 123 HA HIS 123 14.868 26.786 -0.491 283 HB2 HIS 123 HB2 HIS 123 13.014 26.498 1.209 284 HB3 HIS 123 HB1 HIS 123 13.246 24.756 1.120 285 HD1 HIS 123 HD1 HIS 123 14.045 27.399 3.303 286 HD2 HIS 123 HD2 HIS 123 16.296 24.267 1.745 287 HE1 HIS 123 HE1 HIS 123 15.968 27.024 4.901 288 H ALA 124 HN ALA 124 16.279 25.926 -1.951 289 HA ALA 124 HA ALA 124 17.838 24.565 -2.827 290 HB1 ALA 124 HB1 ALA 124 17.544 23.050 -0.210 291 HB2 ALA 124 HB2 ALA 124 18.583 24.450 -0.478 292 HB3 ALA 124 HB3 ALA 124 18.914 22.937 -1.322 293 H MET 125 HN MET 125 15.827 24.083 -4.222 294 HA MET 125 HA MET 125 15.398 21.144 -4.414 295 HB2 MET 125 HB2 MET 125 13.442 23.351 -5.248 296 HB3 MET 125 HB1 MET 125 13.167 21.618 -5.391 297 HG2 MET 125 HG2 MET 125 13.175 21.411 -2.936 298 HG3 MET 125 HG1 MET 125 13.480 23.142 -2.791 299 HE1 MET 125 HE1 MET 125 11.029 21.182 -5.257 300 HE2 MET 125 HE2 MET 125 9.514 21.335 -4.368 301 HE3 MET 125 HE3 MET 125 10.830 20.367 -3.704 302 H VAL 126 HN VAL 126 16.677 20.506 -6.004 303 HA VAL 126 HA VAL 126 17.059 22.116 -8.473 304 HB VAL 126 HB VAL 126 19.128 20.747 -8.818 305 HG11 VAL 126 HG11 VAL 126 20.518 21.745 -7.017 306 HG12 VAL 126 HG12 VAL 126 19.059 22.114 -6.096 307 HG13 VAL 126 HG13 VAL 126 19.343 22.902 -7.648 308 HG21 VAL 126 HG21 VAL 126 19.996 19.260 -7.022 309 HG22 VAL 126 HG22 VAL 126 18.454 18.675 -7.648 310 HG23 VAL 126 HG23 VAL 126 18.514 19.510 -6.096 311 HA PRO 127 HA PRO 127 15.018 18.757 -10.812 312 HB2 PRO 127 HB2 PRO 127 16.566 18.537 -13.092 313 HB3 PRO 127 HB1 PRO 127 15.416 19.856 -12.832 314 HG2 PRO 127 HG2 PRO 127 18.400 19.833 -12.383 315 HG3 PRO 127 HG1 PRO 127 17.394 21.065 -13.179 316 HD2 PRO 127 HD2 PRO 127 18.219 21.363 -10.619 317 HD3 PRO 127 HD1 PRO 127 16.621 21.936 -11.143 318 H LEU 128 HN LEU 128 15.227 16.501 -11.139 319 HA LEU 128 HA LEU 128 17.204 15.176 -9.553 320 HB2 LEU 128 HB2 LEU 128 14.700 14.499 -10.177 321 HB3 LEU 128 HB1 LEU 128 15.457 13.665 -11.515 322 HG LEU 128 HG LEU 128 15.917 13.119 -8.547 323 HD11 LEU 128 HD11 LEU 128 14.501 11.466 -10.664 324 HD12 LEU 128 HD12 LEU 128 13.739 12.351 -9.340 325 HD13 LEU 128 HD13 LEU 128 14.786 10.979 -8.990 326 HD21 LEU 128 HD21 LEU 128 17.272 11.171 -9.219 327 HD22 LEU 128 HD22 LEU 128 18.009 12.673 -9.764 328 HD23 LEU 128 HD23 LEU 128 17.146 11.651 -10.914 329 H GLU 129 HN GLU 129 19.210 15.519 -10.380 330 HA GLU 129 HA GLU 129 19.970 13.911 -12.700 331 HB2 GLU 129 HB2 GLU 129 19.752 16.247 -13.574 332 HB3 GLU 129 HB1 GLU 129 20.863 16.815 -12.330 333 HG2 GLU 129 HG2 GLU 129 22.660 15.395 -13.308 334 HG3 GLU 129 HG1 GLU 129 21.545 14.881 -14.574 335 H GLU 130 HN GLU 130 21.725 12.740 -12.221 336 HA GLU 130 HA GLU 130 22.978 12.936 -9.612 337 HB2 GLU 130 HB2 GLU 130 24.171 10.820 -10.367 338 HB3 GLU 130 HB1 GLU 130 22.414 10.714 -10.329 339 HG2 GLU 130 HG2 GLU 130 22.391 11.125 -12.807 340 HG3 GLU 130 HG1 GLU 130 24.154 11.053 -12.794 Start of MODEL 19 1 H GLY 86 HN GLY 86 12.793 -1.141 -4.382 2 HA2 GLY 86 HA2 GLY 86 13.087 -3.357 -6.113 3 HA3 GLY 86 HA1 GLY 86 12.027 -3.279 -4.708 4 H THR 87 HN THR 87 10.355 -1.142 -5.574 5 HA THR 87 HA THR 87 8.682 -2.460 -7.595 6 HB THR 87 HB THR 87 7.679 -1.565 -5.454 7 HG1 THR 87 HG1 THR 87 6.783 -1.060 -8.013 8 HG21 THR 87 HG21 THR 87 8.992 0.525 -5.225 9 HG22 THR 87 HG22 THR 87 7.260 0.852 -5.216 10 HG23 THR 87 HG23 THR 87 8.205 1.173 -6.669 11 H GLN 88 HN GLN 88 11.266 -0.491 -7.778 12 HA GLN 88 HA GLN 88 12.078 1.269 -8.888 13 HB2 GLN 88 HB2 GLN 88 10.144 0.287 -11.020 14 HB3 GLN 88 HB1 GLN 88 11.368 1.523 -11.311 15 HG2 GLN 88 HG2 GLN 88 13.149 -0.070 -10.806 16 HG3 GLN 88 HG1 GLN 88 11.969 -1.314 -10.396 17 HE21 GLN 88 HE21 GLN 88 10.788 -2.303 -12.095 18 HE22 GLN 88 HE22 GLN 88 11.334 -2.229 -13.733 19 H GLY 89 HN GLY 89 11.049 2.500 -7.129 20 HA2 GLY 89 HA2 GLY 89 8.644 4.014 -7.596 21 HA3 GLY 89 HA1 GLY 89 9.782 4.214 -6.270 22 H GLU 90 HN GLU 90 10.252 4.458 -9.782 23 HA GLU 90 HA GLU 90 11.470 7.117 -9.571 24 HB2 GLU 90 HB2 GLU 90 12.193 6.684 -11.891 25 HB3 GLU 90 HB1 GLU 90 12.649 5.341 -10.845 26 HG2 GLU 90 HG2 GLU 90 10.843 3.964 -11.702 27 HG3 GLU 90 HG1 GLU 90 10.170 5.318 -12.608 28 H ARG 91 HN ARG 91 8.448 5.954 -9.786 29 HA ARG 91 HA ARG 91 7.400 8.146 -11.475 30 HB2 ARG 91 HB2 ARG 91 6.145 5.465 -10.722 31 HB3 ARG 91 HB1 ARG 91 5.292 6.754 -11.570 32 HG2 ARG 91 HG2 ARG 91 6.650 6.518 -13.521 33 HG3 ARG 91 HG1 ARG 91 7.827 5.515 -12.669 34 HD2 ARG 91 HD2 ARG 91 4.963 4.707 -13.295 35 HD3 ARG 91 HD1 ARG 91 6.395 4.175 -14.185 36 HE ARG 91 HE ARG 91 5.487 3.263 -11.578 37 HH11 ARG 91 HH11 ARG 91 8.232 3.363 -13.767 38 HH12 ARG 91 HH12 ARG 91 9.023 2.018 -13.018 39 HH21 ARG 91 HH21 ARG 91 6.563 1.558 -10.571 40 HH22 ARG 91 HH22 ARG 91 8.094 1.011 -11.182 41 H CYS 92 HN CYS 92 6.149 9.648 -10.468 42 HA CYS 92 HA CYS 92 5.916 9.747 -7.616 43 HB2 CYS 92 HB2 CYS 92 6.007 11.753 -9.261 44 HB3 CYS 92 HB1 CYS 92 4.301 11.432 -9.580 45 H ALA 93 HN ALA 93 4.685 8.226 -6.684 46 HA ALA 93 HA ALA 93 2.820 6.566 -7.819 47 HB1 ALA 93 HB1 ALA 93 4.002 6.131 -5.706 48 HB2 ALA 93 HB2 ALA 93 2.264 5.869 -5.538 49 HB3 ALA 93 HB3 ALA 93 3.002 7.339 -4.897 50 H VAL 94 HN VAL 94 2.216 9.727 -6.453 51 HA VAL 94 HA VAL 94 -0.549 9.519 -5.951 52 HB VAL 94 HB VAL 94 1.009 12.043 -6.624 53 HG11 VAL 94 HG11 VAL 94 -1.418 12.428 -6.665 54 HG12 VAL 94 HG12 VAL 94 -0.697 13.231 -5.270 55 HG13 VAL 94 HG13 VAL 94 -1.579 11.718 -5.056 56 HG21 VAL 94 HG21 VAL 94 2.131 10.833 -4.801 57 HG22 VAL 94 HG22 VAL 94 0.619 10.748 -3.898 58 HG23 VAL 94 HG23 VAL 94 1.384 12.312 -4.190 59 H HIS 95 HN HIS 95 1.220 10.562 -8.902 60 HA HIS 95 HA HIS 95 -1.351 11.058 -10.295 61 HB2 HIS 95 HB2 HIS 95 1.258 11.755 -11.630 62 HB3 HIS 95 HB1 HIS 95 -0.284 12.575 -11.709 63 HD1 HIS 95 HD1 HIS 95 -0.643 13.249 -8.666 64 HD2 HIS 95 HD2 HIS 95 2.862 13.690 -10.830 65 HE1 HIS 95 HE1 HIS 95 0.850 14.793 -7.327 66 H GLY 96 HN GLY 96 1.667 9.254 -10.488 67 HA2 GLY 96 HA2 GLY 96 1.805 6.998 -11.226 68 HA3 GLY 96 HA1 GLY 96 0.451 7.276 -12.306 69 H GLU 97 HN GLU 97 2.578 9.890 -12.567 70 HA GLU 97 HA GLU 97 3.778 8.801 -15.044 71 HB2 GLU 97 HB2 GLU 97 4.470 11.318 -15.369 72 HB3 GLU 97 HB1 GLU 97 2.803 10.850 -15.640 73 HG2 GLU 97 HG2 GLU 97 2.971 13.015 -14.479 74 HG3 GLU 97 HG1 GLU 97 2.111 11.811 -13.528 75 H ARG 98 HN ARG 98 6.084 9.581 -15.481 76 HA ARG 98 HA ARG 98 7.759 8.526 -13.410 77 HB2 ARG 98 HB2 ARG 98 8.127 8.135 -15.870 78 HB3 ARG 98 HB1 ARG 98 8.587 9.828 -16.035 79 HG2 ARG 98 HG2 ARG 98 10.505 9.447 -14.493 80 HG3 ARG 98 HG1 ARG 98 10.042 7.748 -14.361 81 HD2 ARG 98 HD2 ARG 98 10.388 7.499 -16.817 82 HD3 ARG 98 HD1 ARG 98 10.927 9.180 -16.885 83 HE ARG 98 HE ARG 98 12.432 7.638 -14.991 84 HH11 ARG 98 HH11 ARG 98 12.203 8.388 -18.420 85 HH12 ARG 98 HH12 ARG 98 13.836 7.912 -18.750 86 HH21 ARG 98 HH21 ARG 98 14.563 7.021 -15.442 87 HH22 ARG 98 HH22 ARG 98 15.165 7.122 -17.067 88 H LEU 99 HN LEU 99 8.669 9.647 -11.788 89 HA LEU 99 HA LEU 99 8.473 12.521 -11.615 90 HB2 LEU 99 HB2 LEU 99 9.137 12.299 -9.307 91 HB3 LEU 99 HB1 LEU 99 7.971 11.046 -9.661 92 HG LEU 99 HG LEU 99 10.125 9.500 -9.908 93 HD11 LEU 99 HD11 LEU 99 11.968 10.068 -8.384 94 HD12 LEU 99 HD12 LEU 99 11.253 11.657 -8.108 95 HD13 LEU 99 HD13 LEU 99 11.841 11.220 -9.711 96 HD21 LEU 99 HD21 LEU 99 9.983 8.846 -7.564 97 HD22 LEU 99 HD22 LEU 99 8.378 9.181 -8.208 98 HD23 LEU 99 HD23 LEU 99 9.169 10.364 -7.165 99 H HIS 100 HN HIS 100 10.125 13.947 -11.986 100 HA HIS 100 HA HIS 100 12.882 13.105 -11.470 101 HB2 HIS 100 HB2 HIS 100 11.911 14.296 -14.086 102 HB3 HIS 100 HB1 HIS 100 13.570 14.568 -13.555 103 HD1 HIS 100 HD1 HIS 100 15.128 12.425 -13.481 104 HD2 HIS 100 HD2 HIS 100 11.379 11.816 -15.160 105 HE1 HIS 100 HE1 HIS 100 15.250 10.217 -14.692 106 H LEU 101 HN LEU 101 12.713 14.231 -9.590 107 HA LEU 101 HA LEU 101 13.875 16.805 -9.727 108 HB2 LEU 101 HB2 LEU 101 11.367 17.372 -9.924 109 HB3 LEU 101 HB1 LEU 101 11.149 16.724 -8.319 110 HG LEU 101 HG LEU 101 11.278 19.294 -8.629 111 HD11 LEU 101 HD11 LEU 101 12.297 19.674 -6.458 112 HD12 LEU 101 HD12 LEU 101 13.004 18.058 -6.479 113 HD13 LEU 101 HD13 LEU 101 11.252 18.252 -6.430 114 HD21 LEU 101 HD21 LEU 101 13.255 19.367 -10.070 115 HD22 LEU 101 HD22 LEU 101 14.255 18.734 -8.760 116 HD23 LEU 101 HD23 LEU 101 13.495 20.319 -8.604 117 H PHE 102 HN PHE 102 14.972 17.193 -7.681 118 HA PHE 102 HA PHE 102 14.381 15.289 -5.480 119 HB2 PHE 102 HB2 PHE 102 16.469 14.566 -6.617 120 HB3 PHE 102 HB1 PHE 102 17.168 16.165 -6.378 121 HD1 PHE 102 HD1 PHE 102 18.129 16.788 -4.208 122 HD2 PHE 102 HD2 PHE 102 16.043 13.072 -4.647 123 HE1 PHE 102 HE1 PHE 102 18.949 16.053 -2.011 124 HE2 PHE 102 HE2 PHE 102 16.883 12.351 -2.446 125 HZ PHE 102 HZ PHE 102 18.335 13.840 -1.127 126 H CYS 103 HN CYS 103 13.632 16.479 -3.830 127 HA CYS 103 HA CYS 103 14.332 19.303 -3.580 128 HB2 CYS 103 HB2 CYS 103 11.975 18.515 -3.206 129 HB3 CYS 103 HB1 CYS 103 12.527 17.612 -1.796 130 HG CYS 103 HG CYS 103 11.247 19.919 -0.900 131 H GLU 104 HN GLU 104 16.030 19.920 -2.383 132 HA GLU 104 HA GLU 104 17.790 17.992 -1.223 133 HB2 GLU 104 HB2 GLU 104 17.888 21.032 -1.124 134 HB3 GLU 104 HB1 GLU 104 19.234 19.950 -0.752 135 HG2 GLU 104 HG2 GLU 104 19.259 19.152 -3.080 136 HG3 GLU 104 HG1 GLU 104 17.866 20.164 -3.461 137 H LYS 105 HN LYS 105 15.606 20.445 0.080 138 HA LYS 105 HA LYS 105 16.422 20.140 2.829 139 HB2 LYS 105 HB2 LYS 105 14.551 21.682 3.319 140 HB3 LYS 105 HB1 LYS 105 15.569 22.286 2.019 141 HG2 LYS 105 HG2 LYS 105 13.909 21.591 0.356 142 HG3 LYS 105 HG1 LYS 105 12.890 20.914 1.625 143 HD2 LYS 105 HD2 LYS 105 13.633 23.857 1.372 144 HD3 LYS 105 HD1 LYS 105 12.124 23.150 0.800 145 HE2 LYS 105 HE2 LYS 105 11.597 24.160 2.887 146 HE3 LYS 105 HE1 LYS 105 11.696 22.437 3.231 147 HZ1 LYS 105 HZ1 LYS 105 13.940 24.322 3.701 148 HZ2 LYS 105 HZ2 LYS 105 13.797 22.731 4.255 149 HZ3 LYS 105 HZ3 LYS 105 12.787 23.937 4.872 150 H ASP 106 HN ASP 106 13.877 18.839 0.797 151 HA ASP 106 HA ASP 106 12.407 17.541 2.957 152 HB2 ASP 106 HB2 ASP 106 11.286 18.559 0.972 153 HB3 ASP 106 HB1 ASP 106 12.099 17.406 -0.074 154 H GLY 107 HN GLY 107 14.824 16.817 0.601 155 HA2 GLY 107 HA2 GLY 107 16.311 15.135 0.357 156 HA3 GLY 107 HA1 GLY 107 15.759 14.470 1.887 157 H LYS 108 HN LYS 108 13.298 14.843 -0.502 158 HA LYS 108 HA LYS 108 13.458 11.966 -1.186 159 HB2 LYS 108 HB2 LYS 108 10.990 13.741 -0.971 160 HB3 LYS 108 HB1 LYS 108 10.977 12.061 -1.502 161 HG2 LYS 108 HG2 LYS 108 11.715 13.084 1.265 162 HG3 LYS 108 HG1 LYS 108 10.239 12.223 0.821 163 HD2 LYS 108 HD2 LYS 108 13.066 11.084 0.744 164 HD3 LYS 108 HD1 LYS 108 11.851 10.737 1.975 165 HE2 LYS 108 HE2 LYS 108 10.451 9.590 0.341 166 HE3 LYS 108 HE1 LYS 108 11.518 10.079 -0.977 167 HZ1 LYS 108 HZ1 LYS 108 12.202 8.251 1.246 168 HZ2 LYS 108 HZ2 LYS 108 13.280 8.764 0.050 169 HZ3 LYS 108 HZ3 LYS 108 11.939 7.821 -0.367 170 H ALA 109 HN ALA 109 13.012 11.331 -3.250 171 HA ALA 109 HA ALA 109 13.555 13.155 -5.410 172 HB1 ALA 109 HB1 ALA 109 13.405 11.113 -6.815 173 HB2 ALA 109 HB2 ALA 109 12.825 10.196 -5.421 174 HB3 ALA 109 HB3 ALA 109 14.458 10.862 -5.422 175 H LEU 110 HN LEU 110 11.932 14.562 -5.776 176 HA LEU 110 HA LEU 110 9.116 13.733 -5.783 177 HB2 LEU 110 HB2 LEU 110 10.356 16.506 -6.014 178 HB3 LEU 110 HB1 LEU 110 8.636 16.159 -5.881 179 HG LEU 110 HG LEU 110 10.745 15.731 -3.718 180 HD11 LEU 110 HD11 LEU 110 9.484 17.440 -2.472 181 HD12 LEU 110 HD12 LEU 110 8.388 17.642 -3.843 182 HD13 LEU 110 HD13 LEU 110 10.092 18.071 -4.004 183 HD21 LEU 110 HD21 LEU 110 7.780 15.045 -3.620 184 HD22 LEU 110 HD22 LEU 110 8.882 15.017 -2.239 185 HD23 LEU 110 HD23 LEU 110 9.126 13.901 -3.580 186 H CYS 111 HN CYS 111 7.874 15.170 -7.556 187 HA CYS 111 HA CYS 111 9.149 14.751 -10.201 188 HB2 CYS 111 HB2 CYS 111 7.000 14.358 -11.129 189 HB3 CYS 111 HB1 CYS 111 6.922 13.505 -9.586 190 H TRP 112 HN TRP 112 8.337 16.425 -11.846 191 HA TRP 112 HA TRP 112 8.879 19.049 -10.945 192 HB2 TRP 112 HB2 TRP 112 9.360 18.273 -13.252 193 HB3 TRP 112 HB1 TRP 112 7.634 18.160 -13.579 194 HD1 TRP 112 HD1 TRP 112 9.989 21.012 -12.281 195 HE1 TRP 112 HE1 TRP 112 9.356 23.179 -13.503 196 HE3 TRP 112 HE3 TRP 112 6.187 19.244 -15.206 197 HZ2 TRP 112 HZ2 TRP 112 7.536 24.042 -15.449 198 HZ3 TRP 112 HZ3 TRP 112 5.051 20.812 -16.731 199 HH2 TRP 112 HH2 TRP 112 5.714 23.166 -16.849 200 H VAL 113 HN VAL 113 5.849 17.310 -11.478 201 HA VAL 113 HA VAL 113 3.976 19.404 -11.388 202 HB VAL 113 HB VAL 113 3.586 16.587 -10.263 203 HG11 VAL 113 HG11 VAL 113 1.188 16.904 -10.766 204 HG12 VAL 113 HG12 VAL 113 1.514 18.551 -11.313 205 HG13 VAL 113 HG13 VAL 113 1.762 18.121 -9.621 206 HG21 VAL 113 HG21 VAL 113 4.450 16.465 -12.565 207 HG22 VAL 113 HG22 VAL 113 3.176 17.552 -13.122 208 HG23 VAL 113 HG23 VAL 113 2.762 15.948 -12.511 209 H CYS 114 HN CYS 114 5.403 17.502 -8.712 210 HA CYS 114 HA CYS 114 3.998 18.964 -6.638 211 HB2 CYS 114 HB2 CYS 114 6.174 16.859 -6.432 212 HB3 CYS 114 HB1 CYS 114 5.389 17.599 -5.040 213 H ALA 115 HN ALA 115 6.957 19.329 -8.367 214 HA ALA 115 HA ALA 115 8.429 20.880 -6.468 215 HB1 ALA 115 HB1 ALA 115 9.878 21.425 -8.368 216 HB2 ALA 115 HB2 ALA 115 8.681 20.774 -9.491 217 HB3 ALA 115 HB3 ALA 115 9.496 19.702 -8.350 218 H GLN 116 HN GLN 116 6.462 21.730 -9.339 219 HA GLN 116 HA GLN 116 6.503 24.561 -8.804 220 HB2 GLN 116 HB2 GLN 116 4.974 24.757 -10.723 221 HB3 GLN 116 HB1 GLN 116 6.357 23.747 -11.118 222 HG2 GLN 116 HG2 GLN 116 4.995 21.729 -10.904 223 HG3 GLN 116 HG1 GLN 116 3.604 22.686 -10.394 224 HE21 GLN 116 HE21 GLN 116 2.376 21.851 -12.134 225 HE22 GLN 116 HE22 GLN 116 2.624 22.378 -13.758 226 H SER 117 HN SER 117 4.541 21.905 -7.743 227 HA SER 117 HA SER 117 2.183 23.311 -6.987 228 HB2 SER 117 HB2 SER 117 2.298 20.826 -7.035 229 HB3 SER 117 HB1 SER 117 3.433 20.842 -5.687 230 HG SER 117 HG SER 117 0.962 22.146 -5.392 231 H ARG 118 HN ARG 118 1.634 24.262 -5.003 232 HA ARG 118 HA ARG 118 3.682 25.922 -3.981 233 HB2 ARG 118 HB2 ARG 118 0.835 25.583 -2.955 234 HB3 ARG 118 HB1 ARG 118 1.926 26.907 -2.546 235 HG2 ARG 118 HG2 ARG 118 1.982 27.351 -5.128 236 HG3 ARG 118 HG1 ARG 118 0.531 26.345 -5.167 237 HD2 ARG 118 HD2 ARG 118 -0.136 28.671 -5.042 238 HD3 ARG 118 HD1 ARG 118 -0.523 27.902 -3.497 239 HE ARG 118 HE ARG 118 2.075 29.177 -3.565 240 HH11 ARG 118 HH11 ARG 118 -1.315 29.714 -2.819 241 HH12 ARG 118 HH12 ARG 118 -0.994 31.148 -1.895 242 HH21 ARG 118 HH21 ARG 118 2.467 31.044 -2.362 243 HH22 ARG 118 HH22 ARG 118 1.138 31.889 -1.627 244 H LYS 119 HN LYS 119 5.065 25.576 -2.414 245 HA LYS 119 HA LYS 119 4.515 23.571 -0.299 246 HB2 LYS 119 HB2 LYS 119 7.207 24.502 -1.401 247 HB3 LYS 119 HB1 LYS 119 6.982 23.313 -0.127 248 HG2 LYS 119 HG2 LYS 119 5.721 22.762 -2.809 249 HG3 LYS 119 HG1 LYS 119 7.468 22.608 -2.658 250 HD2 LYS 119 HD2 LYS 119 6.464 20.426 -2.330 251 HD3 LYS 119 HD1 LYS 119 7.166 20.971 -0.813 252 HE2 LYS 119 HE2 LYS 119 5.002 19.849 -0.460 253 HE3 LYS 119 HE1 LYS 119 4.924 21.541 0.030 254 HZ1 LYS 119 HZ1 LYS 119 2.975 20.906 -1.196 255 HZ2 LYS 119 HZ2 LYS 119 3.911 20.410 -2.512 256 HZ3 LYS 119 HZ3 LYS 119 3.857 22.046 -2.083 257 H HIS 120 HN HIS 120 5.500 24.033 1.751 258 HA HIS 120 HA HIS 120 4.978 26.546 2.880 259 HB2 HIS 120 HB2 HIS 120 6.209 25.608 4.884 260 HB3 HIS 120 HB1 HIS 120 4.970 24.528 4.252 261 HD1 HIS 120 HD1 HIS 120 5.821 22.334 3.030 262 HD2 HIS 120 HD2 HIS 120 8.817 24.660 4.737 263 HE1 HIS 120 HE1 HIS 120 7.924 20.936 2.981 264 H ARG 121 HN ARG 121 7.803 25.246 1.355 265 HA ARG 121 HA ARG 121 9.203 27.724 1.202 266 HB2 ARG 121 HB2 ARG 121 9.716 27.025 3.582 267 HB3 ARG 121 HB1 ARG 121 10.427 25.539 2.973 268 HG2 ARG 121 HG2 ARG 121 12.177 27.112 3.553 269 HG3 ARG 121 HG1 ARG 121 12.164 26.876 1.803 270 HD2 ARG 121 HD2 ARG 121 10.930 28.995 1.528 271 HD3 ARG 121 HD1 ARG 121 10.930 29.227 3.283 272 HE ARG 121 HE ARG 121 13.586 28.886 2.404 273 HH11 ARG 121 HH11 ARG 121 11.021 31.270 2.135 274 HH12 ARG 121 HH12 ARG 121 12.118 32.606 2.026 275 HH21 ARG 121 HH21 ARG 121 15.001 30.635 2.269 276 HH22 ARG 121 HH22 ARG 121 14.382 32.246 2.094 277 H ASP 122 HN ASP 122 9.177 27.233 -1.021 278 HA ASP 122 HA ASP 122 10.599 24.787 -1.927 279 HB2 ASP 122 HB2 ASP 122 9.393 25.188 -4.147 280 HB3 ASP 122 HB1 ASP 122 8.377 24.719 -2.797 281 H HIS 123 HN HIS 123 12.651 25.196 -2.339 282 HA HIS 123 HA HIS 123 13.443 26.888 -4.483 283 HB2 HIS 123 HB2 HIS 123 15.033 28.379 -3.271 284 HB3 HIS 123 HB1 HIS 123 13.372 28.675 -2.771 285 HD1 HIS 123 HD1 HIS 123 16.697 27.814 -1.429 286 HD2 HIS 123 HD2 HIS 123 12.745 27.599 -0.164 287 HE1 HIS 123 HE1 HIS 123 16.768 27.477 1.072 288 H ALA 124 HN ALA 124 14.554 25.148 -1.581 289 HA ALA 124 HA ALA 124 17.059 24.305 -2.683 290 HB1 ALA 124 HB1 ALA 124 17.246 22.923 -0.645 291 HB2 ALA 124 HB2 ALA 124 15.561 23.270 -0.246 292 HB3 ALA 124 HB3 ALA 124 16.749 24.573 -0.254 293 H MET 125 HN MET 125 16.621 23.316 -4.619 294 HA MET 125 HA MET 125 15.946 20.542 -4.595 295 HB2 MET 125 HB2 MET 125 14.086 20.664 -6.253 296 HB3 MET 125 HB1 MET 125 13.650 21.375 -4.709 297 HG2 MET 125 HG2 MET 125 13.863 23.612 -5.621 298 HG3 MET 125 HG1 MET 125 14.493 22.971 -7.139 299 HE1 MET 125 HE1 MET 125 11.314 23.040 -4.752 300 HE2 MET 125 HE2 MET 125 11.492 21.314 -5.091 301 HE3 MET 125 HE3 MET 125 10.129 22.209 -5.761 302 H VAL 126 HN VAL 126 16.766 19.501 -6.347 303 HA VAL 126 HA VAL 126 18.088 21.017 -8.511 304 HB VAL 126 HB VAL 126 19.946 19.308 -8.436 305 HG11 VAL 126 HG11 VAL 126 21.147 20.279 -6.505 306 HG12 VAL 126 HG12 VAL 126 19.632 20.935 -5.883 307 HG13 VAL 126 HG13 VAL 126 20.283 21.524 -7.414 308 HG21 VAL 126 HG21 VAL 126 18.759 17.483 -7.249 309 HG22 VAL 126 HG22 VAL 126 18.704 18.457 -5.780 310 HG23 VAL 126 HG23 VAL 126 20.256 17.900 -6.411 311 HA PRO 127 HA PRO 127 15.908 18.125 -11.146 312 HB2 PRO 127 HB2 PRO 127 17.364 18.236 -13.455 313 HB3 PRO 127 HB1 PRO 127 16.414 19.613 -12.880 314 HG2 PRO 127 HG2 PRO 127 19.374 19.104 -12.594 315 HG3 PRO 127 HG1 PRO 127 18.539 20.601 -13.072 316 HD2 PRO 127 HD2 PRO 127 19.441 20.160 -10.521 317 HD3 PRO 127 HD1 PRO 127 18.018 21.163 -10.872 318 H LEU 128 HN LEU 128 15.852 15.939 -11.483 319 HA LEU 128 HA LEU 128 18.224 14.309 -10.955 320 HB2 LEU 128 HB2 LEU 128 15.309 13.573 -11.410 321 HB3 LEU 128 HB1 LEU 128 16.582 12.371 -11.229 322 HG LEU 128 HG LEU 128 15.735 14.396 -9.116 323 HD11 LEU 128 HD11 LEU 128 14.905 12.452 -7.872 324 HD12 LEU 128 HD12 LEU 128 15.330 11.392 -9.218 325 HD13 LEU 128 HD13 LEU 128 14.081 12.624 -9.421 326 HD21 LEU 128 HD21 LEU 128 17.860 12.222 -8.954 327 HD22 LEU 128 HD22 LEU 128 17.287 13.200 -7.601 328 HD23 LEU 128 HD23 LEU 128 18.140 13.966 -8.937 329 H GLU 129 HN GLU 129 19.476 14.742 -12.766 330 HA GLU 129 HA GLU 129 18.595 13.411 -15.269 331 HB2 GLU 129 HB2 GLU 129 19.186 15.853 -15.521 332 HB3 GLU 129 HB1 GLU 129 20.813 15.491 -14.950 333 HG2 GLU 129 HG2 GLU 129 21.168 13.999 -16.888 334 HG3 GLU 129 HG1 GLU 129 19.530 14.333 -17.451 335 H GLU 130 HN GLU 130 19.046 11.405 -14.352 336 HA GLU 130 HA GLU 130 21.814 10.783 -13.510 337 HB2 GLU 130 HB2 GLU 130 19.203 9.347 -12.850 338 HB3 GLU 130 HB1 GLU 130 20.801 8.919 -12.238 339 HG2 GLU 130 HG2 GLU 130 20.943 11.086 -11.066 340 HG3 GLU 130 HG1 GLU 130 19.358 11.537 -11.694 Start of MODEL 20 1 H GLY 86 HN GLY 86 13.949 -3.364 -16.355 2 HA2 GLY 86 HA2 GLY 86 12.805 -4.874 -14.801 3 HA3 GLY 86 HA1 GLY 86 14.347 -5.152 -14.006 4 H THR 87 HN THR 87 15.420 -3.121 -13.114 5 HA THR 87 HA THR 87 13.395 -1.549 -11.660 6 HB THR 87 HB THR 87 15.361 -0.980 -10.117 7 HG1 THR 87 HG1 THR 87 17.260 -1.910 -10.448 8 HG21 THR 87 HG21 THR 87 15.350 -3.160 -8.961 9 HG22 THR 87 HG22 THR 87 14.660 -3.934 -10.391 10 HG23 THR 87 HG23 THR 87 13.727 -2.730 -9.495 11 H GLN 88 HN GLN 88 12.905 -0.020 -13.215 12 HA GLN 88 HA GLN 88 14.658 2.297 -13.293 13 HB2 GLN 88 HB2 GLN 88 14.781 2.566 -15.684 14 HB3 GLN 88 HB1 GLN 88 15.373 0.951 -15.324 15 HG2 GLN 88 HG2 GLN 88 12.613 1.624 -16.411 16 HG3 GLN 88 HG1 GLN 88 13.969 1.038 -17.366 17 HE21 GLN 88 HE21 GLN 88 11.493 0.190 -15.075 18 HE22 GLN 88 HE22 GLN 88 11.681 -1.526 -15.195 19 H GLY 89 HN GLY 89 13.523 4.160 -14.363 20 HA2 GLY 89 HA2 GLY 89 11.707 5.496 -14.789 21 HA3 GLY 89 HA1 GLY 89 10.708 4.056 -14.879 22 H GLU 90 HN GLU 90 12.436 6.078 -12.529 23 HA GLU 90 HA GLU 90 10.832 5.535 -10.271 24 HB2 GLU 90 HB2 GLU 90 12.380 8.060 -11.029 25 HB3 GLU 90 HB1 GLU 90 11.668 7.773 -9.442 26 HG2 GLU 90 HG2 GLU 90 13.815 6.047 -10.706 27 HG3 GLU 90 HG1 GLU 90 14.112 7.348 -9.554 28 H ARG 91 HN ARG 91 8.722 6.090 -9.873 29 HA ARG 91 HA ARG 91 7.446 8.167 -11.567 30 HB2 ARG 91 HB2 ARG 91 6.332 5.383 -10.991 31 HB3 ARG 91 HB1 ARG 91 5.439 6.668 -11.796 32 HG2 ARG 91 HG2 ARG 91 6.892 6.631 -13.689 33 HG3 ARG 91 HG1 ARG 91 8.061 5.594 -12.873 34 HD2 ARG 91 HD2 ARG 91 6.291 3.792 -12.833 35 HD3 ARG 91 HD1 ARG 91 5.294 4.837 -13.855 36 HE ARG 91 HE ARG 91 7.390 4.807 -15.369 37 HH11 ARG 91 HH11 ARG 91 6.190 2.050 -13.571 38 HH12 ARG 91 HH12 ARG 91 6.913 0.890 -14.634 39 HH21 ARG 91 HH21 ARG 91 8.330 3.289 -16.757 40 HH22 ARG 91 HH22 ARG 91 8.132 1.591 -16.449 41 H CYS 92 HN CYS 92 6.112 9.524 -10.575 42 HA CYS 92 HA CYS 92 5.701 9.473 -7.739 43 HB2 CYS 92 HB2 CYS 92 5.843 11.562 -9.328 44 HB3 CYS 92 HB1 CYS 92 4.134 11.237 -9.676 45 H ALA 93 HN ALA 93 4.440 7.842 -6.989 46 HA ALA 93 HA ALA 93 2.521 6.397 -8.439 47 HB1 ALA 93 HB1 ALA 93 2.917 6.556 -5.433 48 HB2 ALA 93 HB2 ALA 93 3.784 5.489 -6.540 49 HB3 ALA 93 HB3 ALA 93 2.049 5.288 -6.294 50 H VAL 94 HN VAL 94 2.185 9.357 -6.729 51 HA VAL 94 HA VAL 94 -0.528 9.235 -5.950 52 HB VAL 94 HB VAL 94 1.021 11.781 -6.603 53 HG11 VAL 94 HG11 VAL 94 -1.257 11.274 -4.653 54 HG12 VAL 94 HG12 VAL 94 -1.374 12.136 -6.186 55 HG13 VAL 94 HG13 VAL 94 -0.415 12.812 -4.871 56 HG21 VAL 94 HG21 VAL 94 1.793 11.807 -4.245 57 HG22 VAL 94 HG22 VAL 94 2.425 10.412 -5.120 58 HG23 VAL 94 HG23 VAL 94 1.081 10.210 -3.994 59 H HIS 95 HN HIS 95 1.067 10.365 -8.929 60 HA HIS 95 HA HIS 95 -1.557 11.097 -10.111 61 HB2 HIS 95 HB2 HIS 95 1.058 11.697 -11.510 62 HB3 HIS 95 HB1 HIS 95 -0.455 12.575 -11.564 63 HD1 HIS 95 HD1 HIS 95 -0.802 13.309 -8.555 64 HD2 HIS 95 HD2 HIS 95 2.764 13.468 -10.646 65 HE1 HIS 95 HE1 HIS 95 0.766 14.769 -7.208 66 H GLY 96 HN GLY 96 1.316 9.109 -10.531 67 HA2 GLY 96 HA2 GLY 96 1.580 7.115 -11.722 68 HA3 GLY 96 HA1 GLY 96 0.046 7.405 -12.549 69 H GLU 97 HN GLU 97 3.136 9.098 -12.162 70 HA GLU 97 HA GLU 97 3.592 9.282 -15.072 71 HB2 GLU 97 HB2 GLU 97 4.221 11.696 -14.814 72 HB3 GLU 97 HB1 GLU 97 2.511 11.420 -14.488 73 HG2 GLU 97 HG2 GLU 97 2.752 11.760 -12.174 74 HG3 GLU 97 HG1 GLU 97 4.491 11.450 -12.212 75 H ARG 98 HN ARG 98 5.852 9.814 -15.557 76 HA ARG 98 HA ARG 98 7.806 8.735 -13.761 77 HB2 ARG 98 HB2 ARG 98 7.943 8.657 -16.299 78 HB3 ARG 98 HB1 ARG 98 8.289 10.383 -16.289 79 HG2 ARG 98 HG2 ARG 98 10.339 9.906 -14.916 80 HG3 ARG 98 HG1 ARG 98 9.995 8.182 -15.079 81 HD2 ARG 98 HD2 ARG 98 10.660 10.132 -17.309 82 HD3 ARG 98 HD1 ARG 98 11.686 8.829 -16.703 83 HE ARG 98 HE ARG 98 9.092 8.063 -17.832 84 HH11 ARG 98 HH11 ARG 98 12.566 8.276 -18.370 85 HH12 ARG 98 HH12 ARG 98 12.517 7.269 -19.780 86 HH21 ARG 98 HH21 ARG 98 9.065 6.751 -19.662 87 HH22 ARG 98 HH22 ARG 98 10.541 6.396 -20.506 88 H LEU 99 HN LEU 99 9.337 9.875 -12.505 89 HA LEU 99 HA LEU 99 8.838 12.758 -12.101 90 HB2 LEU 99 HB2 LEU 99 9.318 12.490 -9.751 91 HB3 LEU 99 HB1 LEU 99 8.059 11.378 -10.220 92 HG LEU 99 HG LEU 99 9.986 9.575 -10.240 93 HD11 LEU 99 HD11 LEU 99 11.893 11.111 -9.986 94 HD12 LEU 99 HD12 LEU 99 11.810 9.973 -8.645 95 HD13 LEU 99 HD13 LEU 99 11.270 11.640 -8.419 96 HD21 LEU 99 HD21 LEU 99 9.011 10.709 -7.601 97 HD22 LEU 99 HD22 LEU 99 9.627 9.075 -7.875 98 HD23 LEU 99 HD23 LEU 99 8.122 9.586 -8.631 99 H HIS 100 HN HIS 100 10.544 14.122 -12.232 100 HA HIS 100 HA HIS 100 13.237 13.153 -11.538 101 HB2 HIS 100 HB2 HIS 100 12.544 14.751 -14.030 102 HB3 HIS 100 HB1 HIS 100 14.169 14.734 -13.362 103 HD1 HIS 100 HD1 HIS 100 12.168 13.081 -15.832 104 HD2 HIS 100 HD2 HIS 100 15.167 11.895 -13.213 105 HE1 HIS 100 HE1 HIS 100 13.086 10.909 -16.732 106 H LEU 101 HN LEU 101 13.002 14.127 -9.564 107 HA LEU 101 HA LEU 101 13.931 16.815 -9.403 108 HB2 LEU 101 HB2 LEU 101 11.369 17.072 -9.689 109 HB3 LEU 101 HB1 LEU 101 11.189 16.328 -8.119 110 HG LEU 101 HG LEU 101 10.998 18.881 -8.251 111 HD11 LEU 101 HD11 LEU 101 12.070 19.298 -6.108 112 HD12 LEU 101 HD12 LEU 101 13.000 17.806 -6.257 113 HD13 LEU 101 HD13 LEU 101 11.243 17.743 -6.101 114 HD21 LEU 101 HD21 LEU 101 13.056 20.203 -8.238 115 HD22 LEU 101 HD22 LEU 101 12.895 19.316 -9.752 116 HD23 LEU 101 HD23 LEU 101 14.019 18.747 -8.513 117 H PHE 102 HN PHE 102 14.842 17.141 -7.346 118 HA PHE 102 HA PHE 102 14.561 15.017 -5.325 119 HB2 PHE 102 HB2 PHE 102 16.675 14.638 -6.590 120 HB3 PHE 102 HB1 PHE 102 17.197 16.279 -6.223 121 HD1 PHE 102 HD1 PHE 102 16.154 13.084 -4.549 122 HD2 PHE 102 HD2 PHE 102 18.486 16.667 -4.256 123 HE1 PHE 102 HE1 PHE 102 17.146 12.279 -2.442 124 HE2 PHE 102 HE2 PHE 102 19.471 15.838 -2.160 125 HZ PHE 102 HZ PHE 102 18.807 13.650 -1.250 126 H CYS 103 HN CYS 103 13.795 15.952 -3.558 127 HA CYS 103 HA CYS 103 14.123 18.751 -2.905 128 HB2 CYS 103 HB2 CYS 103 12.050 17.422 -2.306 129 HB3 CYS 103 HB1 CYS 103 13.016 16.478 -1.187 130 HG CYS 103 HG CYS 103 11.611 18.198 0.368 131 H GLU 104 HN GLU 104 16.146 19.330 -2.280 132 HA GLU 104 HA GLU 104 18.031 17.485 -1.128 133 HB2 GLU 104 HB2 GLU 104 18.264 20.513 -1.349 134 HB3 GLU 104 HB1 GLU 104 19.586 19.362 -1.162 135 HG2 GLU 104 HG2 GLU 104 19.139 18.448 -3.403 136 HG3 GLU 104 HG1 GLU 104 17.756 19.530 -3.587 137 H LYS 105 HN LYS 105 15.920 20.038 0.051 138 HA LYS 105 HA LYS 105 17.024 20.323 2.667 139 HB2 LYS 105 HB2 LYS 105 15.042 21.673 3.168 140 HB3 LYS 105 HB1 LYS 105 15.679 22.091 1.583 141 HG2 LYS 105 HG2 LYS 105 13.901 20.727 0.512 142 HG3 LYS 105 HG1 LYS 105 13.259 20.338 2.110 143 HD2 LYS 105 HD2 LYS 105 12.948 22.852 2.473 144 HD3 LYS 105 HD1 LYS 105 13.331 23.069 0.762 145 HE2 LYS 105 HE2 LYS 105 10.995 21.501 1.918 146 HE3 LYS 105 HE1 LYS 105 10.909 23.047 1.078 147 HZ1 LYS 105 HZ1 LYS 105 11.672 21.953 -0.936 148 HZ2 LYS 105 HZ2 LYS 105 10.267 21.228 -0.340 149 HZ3 LYS 105 HZ3 LYS 105 11.756 20.472 -0.124 150 H ASP 106 HN ASP 106 14.886 18.002 1.285 151 HA ASP 106 HA ASP 106 14.079 16.948 3.946 152 HB2 ASP 106 HB2 ASP 106 12.191 17.635 2.519 153 HB3 ASP 106 HB1 ASP 106 12.769 16.606 1.206 154 H GLY 107 HN GLY 107 15.623 16.248 0.914 155 HA2 GLY 107 HA2 GLY 107 17.023 14.611 0.220 156 HA3 GLY 107 HA1 GLY 107 16.967 13.908 1.834 157 H LYS 108 HN LYS 108 14.434 14.454 -0.638 158 HA LYS 108 HA LYS 108 14.214 11.558 -1.135 159 HB2 LYS 108 HB2 LYS 108 11.927 13.339 -0.207 160 HB3 LYS 108 HB1 LYS 108 11.630 11.854 -1.102 161 HG2 LYS 108 HG2 LYS 108 13.007 12.052 1.602 162 HG3 LYS 108 HG1 LYS 108 11.344 11.528 1.318 163 HD2 LYS 108 HD2 LYS 108 13.847 10.097 0.308 164 HD3 LYS 108 HD1 LYS 108 12.881 9.602 1.701 165 HE2 LYS 108 HE2 LYS 108 11.925 9.703 -1.188 166 HE3 LYS 108 HE1 LYS 108 12.339 8.246 -0.291 167 HZ1 LYS 108 HZ1 LYS 108 10.122 10.108 0.371 168 HZ2 LYS 108 HZ2 LYS 108 10.521 8.704 1.223 169 HZ3 LYS 108 HZ3 LYS 108 9.964 8.595 -0.368 170 H ALA 109 HN ALA 109 13.442 11.006 -3.145 171 HA ALA 109 HA ALA 109 13.720 12.973 -5.235 172 HB1 ALA 109 HB1 ALA 109 13.526 11.053 -6.755 173 HB2 ALA 109 HB2 ALA 109 13.085 10.011 -5.398 174 HB3 ALA 109 HB3 ALA 109 14.692 10.733 -5.465 175 H LEU 110 HN LEU 110 12.058 14.282 -5.579 176 HA LEU 110 HA LEU 110 9.261 13.320 -5.517 177 HB2 LEU 110 HB2 LEU 110 10.384 16.150 -5.526 178 HB3 LEU 110 HB1 LEU 110 8.677 15.736 -5.453 179 HG LEU 110 HG LEU 110 10.740 15.076 -3.307 180 HD11 LEU 110 HD11 LEU 110 8.518 17.149 -3.294 181 HD12 LEU 110 HD12 LEU 110 10.250 17.479 -3.393 182 HD13 LEU 110 HD13 LEU 110 9.579 16.756 -1.935 183 HD21 LEU 110 HD21 LEU 110 7.730 14.607 -3.314 184 HD22 LEU 110 HD22 LEU 110 8.804 14.362 -1.935 185 HD23 LEU 110 HD23 LEU 110 8.983 13.362 -3.373 186 H CYS 111 HN CYS 111 7.910 14.833 -7.156 187 HA CYS 111 HA CYS 111 9.174 14.677 -9.829 188 HB2 CYS 111 HB2 CYS 111 7.046 14.329 -10.773 189 HB3 CYS 111 HB1 CYS 111 6.939 13.408 -9.279 190 H TRP 112 HN TRP 112 8.715 16.493 -11.299 191 HA TRP 112 HA TRP 112 9.106 19.045 -10.320 192 HB2 TRP 112 HB2 TRP 112 9.511 18.472 -12.644 193 HB3 TRP 112 HB1 TRP 112 7.808 18.126 -12.909 194 HD1 TRP 112 HD1 TRP 112 10.051 21.220 -12.086 195 HE1 TRP 112 HE1 TRP 112 8.963 23.287 -13.161 196 HE3 TRP 112 HE3 TRP 112 5.827 19.042 -13.980 197 HZ2 TRP 112 HZ2 TRP 112 6.640 23.916 -14.625 198 HZ3 TRP 112 HZ3 TRP 112 4.219 20.446 -15.211 199 HH2 TRP 112 HH2 TRP 112 4.621 22.839 -15.527 200 H VAL 113 HN VAL 113 5.996 17.430 -10.983 201 HA VAL 113 HA VAL 113 4.234 19.576 -10.656 202 HB VAL 113 HB VAL 113 3.688 16.669 -9.883 203 HG11 VAL 113 HG11 VAL 113 1.730 18.883 -10.626 204 HG12 VAL 113 HG12 VAL 113 1.960 18.203 -9.015 205 HG13 VAL 113 HG13 VAL 113 1.308 17.195 -10.305 206 HG21 VAL 113 HG21 VAL 113 4.509 16.829 -12.192 207 HG22 VAL 113 HG22 VAL 113 3.292 18.054 -12.562 208 HG23 VAL 113 HG23 VAL 113 2.795 16.404 -12.172 209 H CYS 114 HN CYS 114 5.384 17.256 -8.161 210 HA CYS 114 HA CYS 114 3.910 18.501 -6.026 211 HB2 CYS 114 HB2 CYS 114 6.084 16.383 -5.960 212 HB3 CYS 114 HB1 CYS 114 5.263 16.972 -4.516 213 H ALA 115 HN ALA 115 6.985 19.084 -7.483 214 HA ALA 115 HA ALA 115 8.263 20.412 -5.294 215 HB1 ALA 115 HB1 ALA 115 9.834 21.230 -7.003 216 HB2 ALA 115 HB2 ALA 115 8.750 20.661 -8.276 217 HB3 ALA 115 HB3 ALA 115 9.528 19.502 -7.198 218 H GLN 116 HN GLN 116 6.640 21.569 -8.242 219 HA GLN 116 HA GLN 116 6.883 24.346 -7.550 220 HB2 GLN 116 HB2 GLN 116 5.207 23.081 -9.759 221 HB3 GLN 116 HB1 GLN 116 5.727 24.764 -9.664 222 HG2 GLN 116 HG2 GLN 116 7.553 22.360 -10.014 223 HG3 GLN 116 HG1 GLN 116 7.048 23.465 -11.288 224 HE21 GLN 116 HE21 GLN 116 9.055 23.096 -8.446 225 HE22 GLN 116 HE22 GLN 116 10.050 24.475 -8.725 226 H SER 117 HN SER 117 4.342 21.901 -7.370 227 HA SER 117 HA SER 117 2.317 23.624 -6.264 228 HB2 SER 117 HB2 SER 117 1.770 21.406 -7.314 229 HB3 SER 117 HB1 SER 117 2.610 20.590 -5.998 230 HG SER 117 HG SER 117 0.333 20.701 -5.677 231 H ARG 118 HN ARG 118 3.163 24.783 -4.601 232 HA ARG 118 HA ARG 118 4.219 23.375 -2.218 233 HB2 ARG 118 HB2 ARG 118 6.062 24.411 -3.683 234 HB3 ARG 118 HB1 ARG 118 5.362 25.984 -3.331 235 HG2 ARG 118 HG2 ARG 118 7.054 25.900 -1.752 236 HG3 ARG 118 HG1 ARG 118 5.714 25.267 -0.807 237 HD2 ARG 118 HD2 ARG 118 7.820 23.594 -2.216 238 HD3 ARG 118 HD1 ARG 118 7.827 23.994 -0.500 239 HE ARG 118 HE ARG 118 5.792 22.695 -0.252 240 HH11 ARG 118 HH11 ARG 118 7.607 22.124 -3.191 241 HH12 ARG 118 HH12 ARG 118 6.902 20.561 -3.458 242 HH21 ARG 118 HH21 ARG 118 4.871 20.660 -0.615 243 HH22 ARG 118 HH22 ARG 118 5.348 19.729 -2.004 244 H LYS 119 HN LYS 119 3.654 24.368 -0.257 245 HA LYS 119 HA LYS 119 1.281 25.868 -0.131 246 HB2 LYS 119 HB2 LYS 119 2.288 24.305 1.654 247 HB3 LYS 119 HB1 LYS 119 3.344 25.635 2.104 248 HG2 LYS 119 HG2 LYS 119 0.307 25.833 2.178 249 HG3 LYS 119 HG1 LYS 119 1.264 25.265 3.549 250 HD2 LYS 119 HD2 LYS 119 2.438 27.427 3.639 251 HD3 LYS 119 HD1 LYS 119 1.534 27.998 2.237 252 HE2 LYS 119 HE2 LYS 119 -0.565 27.833 3.536 253 HE3 LYS 119 HE1 LYS 119 0.356 27.286 4.943 254 HZ1 LYS 119 HZ1 LYS 119 -0.132 29.662 5.029 255 HZ2 LYS 119 HZ2 LYS 119 0.702 29.905 3.576 256 HZ3 LYS 119 HZ3 LYS 119 1.536 29.385 4.954 257 H HIS 120 HN HIS 120 4.675 26.856 0.543 258 HA HIS 120 HA HIS 120 3.955 29.657 -0.081 259 HB2 HIS 120 HB2 HIS 120 6.440 28.571 1.317 260 HB3 HIS 120 HB1 HIS 120 6.133 30.269 0.974 261 HD1 HIS 120 HD1 HIS 120 5.828 27.915 3.664 262 HD2 HIS 120 HD2 HIS 120 3.549 31.122 2.312 263 HE1 HIS 120 HE1 HIS 120 4.354 28.606 5.599 264 H ARG 121 HN ARG 121 7.198 28.161 -0.482 265 HA ARG 121 HA ARG 121 7.038 27.931 -3.340 266 HB2 ARG 121 HB2 ARG 121 7.123 30.410 -3.111 267 HB3 ARG 121 HB1 ARG 121 8.637 30.296 -2.229 268 HG2 ARG 121 HG2 ARG 121 8.816 31.009 -4.649 269 HG3 ARG 121 HG1 ARG 121 9.838 29.650 -4.188 270 HD2 ARG 121 HD2 ARG 121 8.675 29.449 -6.438 271 HD3 ARG 121 HD1 ARG 121 8.464 28.083 -5.344 272 HE ARG 121 HE ARG 121 6.379 30.168 -5.549 273 HH11 ARG 121 HH11 ARG 121 7.326 26.806 -6.054 274 HH12 ARG 121 HH12 ARG 121 5.696 26.266 -6.283 275 HH21 ARG 121 HH21 ARG 121 4.266 29.435 -5.873 276 HH22 ARG 121 HH22 ARG 121 3.965 27.754 -6.188 277 H ASP 122 HN ASP 122 8.897 27.006 -4.262 278 HA ASP 122 HA ASP 122 10.316 25.085 -2.922 279 HB2 ASP 122 HB2 ASP 122 11.114 26.565 -5.472 280 HB3 ASP 122 HB1 ASP 122 11.839 25.050 -4.933 281 H HIS 123 HN HIS 123 12.478 24.854 -2.243 282 HA HIS 123 HA HIS 123 14.028 27.324 -1.690 283 HB2 HIS 123 HB2 HIS 123 13.520 24.972 0.186 284 HB3 HIS 123 HB1 HIS 123 14.786 26.161 0.464 285 HD1 HIS 123 HD1 HIS 123 11.935 25.534 2.095 286 HD2 HIS 123 HD2 HIS 123 13.062 28.884 -0.090 287 HE1 HIS 123 HE1 HIS 123 10.570 27.462 2.990 288 H ALA 124 HN ALA 124 14.438 23.786 -1.397 289 HA ALA 124 HA ALA 124 16.973 23.952 -2.933 290 HB1 ALA 124 HB1 ALA 124 17.385 23.692 -0.497 291 HB2 ALA 124 HB2 ALA 124 17.920 22.283 -1.415 292 HB3 ALA 124 HB3 ALA 124 16.414 22.220 -0.494 293 H MET 125 HN MET 125 16.103 23.275 -4.846 294 HA MET 125 HA MET 125 15.053 20.515 -5.036 295 HB2 MET 125 HB2 MET 125 13.805 22.967 -6.385 296 HB3 MET 125 HB1 MET 125 13.361 21.297 -6.723 297 HG2 MET 125 HG2 MET 125 12.937 22.795 -4.131 298 HG3 MET 125 HG1 MET 125 11.705 22.316 -5.299 299 HE1 MET 125 HE1 MET 125 10.124 20.540 -4.462 300 HE2 MET 125 HE2 MET 125 10.491 21.369 -2.946 301 HE3 MET 125 HE3 MET 125 10.454 19.605 -3.005 302 H VAL 126 HN VAL 126 16.345 19.448 -6.451 303 HA VAL 126 HA VAL 126 17.359 20.834 -8.880 304 HB VAL 126 HB VAL 126 19.430 19.378 -8.773 305 HG11 VAL 126 HG11 VAL 126 19.079 21.269 -6.418 306 HG12 VAL 126 HG12 VAL 126 19.555 21.720 -8.058 307 HG13 VAL 126 HG13 VAL 126 20.622 20.717 -7.073 308 HG21 VAL 126 HG21 VAL 126 18.599 17.597 -7.279 309 HG22 VAL 126 HG22 VAL 126 18.496 18.740 -5.939 310 HG23 VAL 126 HG23 VAL 126 20.071 18.313 -6.620 311 HA PRO 127 HA PRO 127 15.293 17.415 -10.953 312 HB2 PRO 127 HB2 PRO 127 16.474 17.535 -13.424 313 HB3 PRO 127 HB1 PRO 127 15.324 18.754 -12.862 314 HG2 PRO 127 HG2 PRO 127 18.343 18.861 -12.852 315 HG3 PRO 127 HG1 PRO 127 17.185 20.097 -13.393 316 HD2 PRO 127 HD2 PRO 127 18.353 20.206 -10.949 317 HD3 PRO 127 HD1 PRO 127 16.689 20.772 -11.213 318 H LEU 128 HN LEU 128 15.642 15.226 -11.510 319 HA LEU 128 HA LEU 128 18.135 14.056 -10.578 320 HB2 LEU 128 HB2 LEU 128 15.561 12.826 -11.623 321 HB3 LEU 128 HB1 LEU 128 16.930 11.872 -11.059 322 HG LEU 128 HG LEU 128 15.354 13.836 -9.341 323 HD11 LEU 128 HD11 LEU 128 14.350 11.896 -8.256 324 HD12 LEU 128 HD12 LEU 128 15.189 10.812 -9.368 325 HD13 LEU 128 HD13 LEU 128 13.956 11.921 -9.974 326 HD21 LEU 128 HD21 LEU 128 17.462 11.800 -8.538 327 HD22 LEU 128 HD22 LEU 128 16.533 12.823 -7.440 328 HD23 LEU 128 HD23 LEU 128 17.672 13.554 -8.566 329 H GLU 129 HN GLU 129 19.623 14.775 -12.095 330 HA GLU 129 HA GLU 129 19.330 14.098 -14.942 331 HB2 GLU 129 HB2 GLU 129 21.356 15.837 -13.466 332 HB3 GLU 129 HB1 GLU 129 21.318 15.604 -15.213 333 HG2 GLU 129 HG2 GLU 129 19.164 16.922 -13.525 334 HG3 GLU 129 HG1 GLU 129 20.302 17.742 -14.600 335 H GLU 130 HN GLU 130 19.538 11.858 -13.707 336 HA GLU 130 HA GLU 130 22.288 10.986 -13.242 337 HB2 GLU 130 HB2 GLU 130 19.638 9.487 -12.937 338 HB3 GLU 130 HB1 GLU 130 21.211 8.958 -12.333 339 HG2 GLU 130 HG2 GLU 130 21.288 10.893 -10.794 340 HG3 GLU 130 HG1 GLU 130 19.741 11.463 -11.418
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