NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
603568 | 2nc6 | 26008 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -17.772 6.032 -22.497 2 H2 LYS 1 H2 LYS 1 -17.492 4.455 -22.174 3 H3 LYS 1 H3 LYS 1 -16.982 5.109 -23.587 4 HA LYS 1 HA LYS 1 -15.451 6.557 -22.478 5 HB2 LYS 1 HB2 LYS 1 -16.696 6.845 -20.397 6 HB3 LYS 1 HB3 LYS 1 -16.399 5.173 -19.940 7 HG2 LYS 1 HG2 LYS 1 -14.924 6.642 -18.712 8 HG3 LYS 1 HG3 LYS 1 -13.962 5.635 -19.788 9 HD2 LYS 1 HD2 LYS 1 -13.763 7.545 -21.391 10 HD3 LYS 1 HD3 LYS 1 -14.729 8.547 -20.280 11 HE2 LYS 1 HE2 LYS 1 -13.027 8.158 -18.495 12 HE3 LYS 1 HE3 LYS 1 -12.072 7.187 -19.625 13 HZ1 LYS 1 HZ1 LYS 1 -12.723 10.071 -19.965 14 HZ2 LYS 1 HZ2 LYS 1 -11.270 9.481 -19.520 15 HZ3 LYS 1 HZ3 LYS 1 -11.842 9.186 -21.020 16 H LEU 2 H LEU 2 -15.514 3.322 -20.846 17 HA LEU 2 HA LEU 2 -12.820 2.771 -21.815 18 HB2 LEU 2 HB2 LEU 2 -14.834 1.062 -20.284 19 HB3 LEU 2 HB3 LEU 2 -13.216 0.572 -20.677 20 HG LEU 2 HG LEU 2 -12.949 1.109 -18.526 21 HD11 LEU 2 HD11 LEU 2 -12.321 3.811 -19.771 22 HD12 LEU 2 HD12 LEU 2 -11.624 3.110 -18.304 23 HD13 LEU 2 HD13 LEU 2 -11.292 2.358 -19.874 24 HD21 LEU 2 HD21 LEU 2 -15.175 2.019 -18.131 25 HD22 LEU 2 HD22 LEU 2 -13.908 2.936 -17.301 26 HD23 LEU 2 HD23 LEU 2 -14.654 3.598 -18.766 27 HA PRO 3 HA PRO 3 -13.820 0.249 -25.405 28 HB2 PRO 3 HB2 PRO 3 -11.893 -1.728 -25.284 29 HB3 PRO 3 HB3 PRO 3 -11.563 -0.037 -25.771 30 HG2 PRO 3 HG2 PRO 3 -11.220 -1.287 -23.029 31 HG3 PRO 3 HG3 PRO 3 -10.039 -0.310 -23.946 32 HD2 PRO 3 HD2 PRO 3 -11.587 0.778 -22.035 33 HD3 PRO 3 HD3 PRO 3 -11.244 1.686 -23.534 34 HA PRO 4 HA PRO 4 -16.651 -2.798 -24.458 35 HB2 PRO 4 HB2 PRO 4 -15.164 -4.883 -26.076 36 HB3 PRO 4 HB3 PRO 4 -16.921 -4.512 -26.057 37 HG2 PRO 4 HG2 PRO 4 -15.385 -3.471 -28.009 38 HG3 PRO 4 HG3 PRO 4 -16.553 -2.405 -27.154 39 HD2 PRO 4 HD2 PRO 4 -13.570 -2.676 -26.702 40 HD3 PRO 4 HD3 PRO 4 -14.568 -1.193 -26.821 41 H GLY 5 H GLY 5 -17.179 -3.892 -22.727 42 HA2 GLY 5 HA2 GLY 5 -17.217 -5.436 -21.023 43 HA3 GLY 5 HA3 GLY 5 -15.751 -6.188 -21.671 44 H TRP 6 H TRP 6 -14.771 -3.052 -21.269 45 HA TRP 6 HA TRP 6 -13.540 -3.632 -18.643 46 HB2 TRP 6 HB2 TRP 6 -13.049 -1.572 -20.784 47 HB3 TRP 6 HB3 TRP 6 -12.272 -1.503 -19.202 48 HD1 TRP 6 HD1 TRP 6 -12.237 -3.356 -22.509 49 HE1 TRP 6 HE1 TRP 6 -10.121 -4.805 -22.691 50 HE3 TRP 6 HE3 TRP 6 -10.543 -2.910 -17.701 51 HZ2 TRP 6 HZ2 TRP 6 -7.980 -5.676 -20.961 52 HZ3 TRP 6 HZ3 TRP 6 -8.443 -4.036 -17.005 53 HH2 TRP 6 HH2 TRP 6 -7.166 -5.437 -18.610 54 H GLU 7 H GLU 7 -13.706 -2.445 -16.816 55 HA GLU 7 HA GLU 7 -15.250 0.067 -16.714 56 HB2 GLU 7 HB2 GLU 7 -16.872 -1.830 -16.452 57 HB3 GLU 7 HB3 GLU 7 -15.983 -2.362 -15.022 58 HG2 GLU 7 HG2 GLU 7 -16.593 -0.336 -13.828 59 HG3 GLU 7 HG3 GLU 7 -17.181 0.425 -15.310 60 H LYS 8 H LYS 8 -14.869 1.285 -14.732 61 HA LYS 8 HA LYS 8 -12.213 0.956 -13.599 62 HB2 LYS 8 HB2 LYS 8 -14.484 2.914 -13.138 63 HB3 LYS 8 HB3 LYS 8 -13.057 2.882 -12.089 64 HG2 LYS 8 HG2 LYS 8 -11.559 3.238 -13.964 65 HG3 LYS 8 HG3 LYS 8 -12.910 3.141 -15.112 66 HD2 LYS 8 HD2 LYS 8 -12.326 5.455 -14.828 67 HD3 LYS 8 HD3 LYS 8 -13.900 5.193 -14.059 68 HE2 LYS 8 HE2 LYS 8 -12.778 5.045 -11.838 69 HE3 LYS 8 HE3 LYS 8 -11.205 5.267 -12.618 70 HZ1 LYS 8 HZ1 LYS 8 -12.061 7.355 -11.720 71 HZ2 LYS 8 HZ2 LYS 8 -11.950 7.466 -13.344 72 HZ3 LYS 8 HZ3 LYS 8 -13.409 7.260 -12.634 73 H ARG 9 H ARG 9 -11.610 0.518 -11.658 74 HA ARG 9 HA ARG 9 -13.335 -0.695 -9.537 75 HB2 ARG 9 HB2 ARG 9 -11.377 -2.066 -11.330 76 HB3 ARG 9 HB3 ARG 9 -11.007 -2.260 -9.638 77 HG2 ARG 9 HG2 ARG 9 -12.333 -4.115 -10.523 78 HG3 ARG 9 HG3 ARG 9 -13.136 -3.296 -9.161 79 HD2 ARG 9 HD2 ARG 9 -14.641 -2.152 -10.592 80 HD3 ARG 9 HD3 ARG 9 -13.732 -2.605 -12.059 81 HE ARG 9 HE ARG 9 -14.601 -5.009 -10.887 82 HH11 ARG 9 HH11 ARG 9 -16.073 -2.122 -12.163 83 HH12 ARG 9 HH12 ARG 9 -17.449 -2.960 -12.846 84 HH21 ARG 9 HH21 ARG 9 -16.454 -6.055 -11.659 85 HH22 ARG 9 HH22 ARG 9 -17.686 -5.126 -12.477 86 H MET 10 H MET 10 -11.956 -1.160 -7.544 87 HA MET 10 HA MET 10 -9.606 0.549 -7.193 88 HB2 MET 10 HB2 MET 10 -11.644 2.075 -6.934 89 HB3 MET 10 HB3 MET 10 -12.075 1.112 -5.508 90 HG2 MET 10 HG2 MET 10 -9.782 1.721 -4.560 91 HG3 MET 10 HG3 MET 10 -9.564 2.763 -5.962 92 HE1 MET 10 HE1 MET 10 -12.659 2.089 -3.478 93 HE2 MET 10 HE2 MET 10 -11.176 2.216 -2.504 94 HE3 MET 10 HE3 MET 10 -12.424 3.477 -2.399 95 H PHE 11 H PHE 11 -8.305 -0.095 -5.570 96 HA PHE 11 HA PHE 11 -8.846 -2.560 -4.072 97 HB2 PHE 11 HB2 PHE 11 -6.522 -0.597 -4.105 98 HB3 PHE 11 HB3 PHE 11 -6.557 -2.055 -3.130 99 HD1 PHE 11 HD1 PHE 11 -5.838 -0.702 -6.423 100 HD2 PHE 11 HD2 PHE 11 -6.688 -4.329 -4.249 101 HE1 PHE 11 HE1 PHE 11 -4.854 -2.035 -8.267 102 HE2 PHE 11 HE2 PHE 11 -5.694 -5.660 -6.095 103 HZ PHE 11 HZ PHE 11 -4.776 -4.517 -8.105 104 H ALA 12 H ALA 12 -8.734 -2.718 -1.748 105 HA ALA 12 HA ALA 12 -10.363 -0.885 -0.332 106 HB1 ALA 12 HB1 ALA 12 -10.127 -3.286 0.189 107 HB2 ALA 12 HB2 ALA 12 -8.445 -3.018 0.709 108 HB3 ALA 12 HB3 ALA 12 -9.787 -2.288 1.614 109 H ASN 13 H ASN 13 -6.958 -0.681 -0.922 110 HA ASN 13 HA ASN 13 -6.391 1.186 1.273 111 HB2 ASN 13 HB2 ASN 13 -4.135 1.227 0.355 112 HB3 ASN 13 HB3 ASN 13 -4.714 -0.435 0.540 113 HD21 ASN 13 HD21 ASN 13 -3.053 -1.079 -0.941 114 H GLY 14 H GLY 14 -8.090 1.619 -1.572 115 HA2 GLY 14 HA2 GLY 14 -8.979 3.642 -2.316 116 HA3 GLY 14 HA3 GLY 14 -7.688 4.549 -1.514 117 H THR 15 H THR 15 -6.528 1.947 -3.503 118 HA THR 15 HA THR 15 -5.574 3.890 -5.547 119 HB THR 15 HB THR 15 -4.835 0.969 -5.169 120 HG1 THR 15 HG1 THR 15 -4.158 2.039 -3.451 121 HG21 THR 15 HG21 THR 15 -3.513 3.188 -6.794 122 HG22 THR 15 HG22 THR 15 -2.820 1.579 -6.487 123 HG23 THR 15 HG23 THR 15 -4.299 1.728 -7.441 124 H VAL 16 H VAL 16 -6.300 3.955 -7.621 125 HA VAL 16 HA VAL 16 -8.669 2.316 -8.286 126 HB VAL 16 HB VAL 16 -7.521 4.887 -9.401 127 HG11 VAL 16 HG11 VAL 16 -10.040 3.438 -10.311 128 HG12 VAL 16 HG12 VAL 16 -9.582 5.099 -10.743 129 HG13 VAL 16 HG13 VAL 16 -8.585 3.753 -11.289 130 HG21 VAL 16 HG21 VAL 16 -9.590 5.868 -8.482 131 HG22 VAL 16 HG22 VAL 16 -10.108 4.271 -7.900 132 HG23 VAL 16 HG23 VAL 16 -8.676 5.060 -7.205 133 H TYR 17 H TYR 17 -8.927 1.095 -10.092 134 HA TYR 17 HA TYR 17 -6.789 0.809 -12.078 135 HB2 TYR 17 HB2 TYR 17 -6.412 -1.510 -11.788 136 HB3 TYR 17 HB3 TYR 17 -6.120 -0.735 -10.263 137 HD1 TYR 17 HD1 TYR 17 -7.709 -1.075 -8.345 138 HD2 TYR 17 HD2 TYR 17 -8.073 -3.249 -12.056 139 HE1 TYR 17 HE1 TYR 17 -8.947 -2.888 -7.170 140 HE2 TYR 17 HE2 TYR 17 -9.400 -5.004 -10.899 141 HH TYR 17 HH TYR 17 -9.973 -4.914 -7.371 142 H TYR 18 H TYR 18 -7.558 -1.104 -13.640 143 HA TYR 18 HA TYR 18 -10.455 -0.724 -14.278 144 HB2 TYR 18 HB2 TYR 18 -8.140 -1.022 -16.221 145 HB3 TYR 18 HB3 TYR 18 -9.848 -0.784 -16.626 146 HD1 TYR 18 HD1 TYR 18 -10.932 1.415 -16.321 147 HD2 TYR 18 HD2 TYR 18 -6.750 0.831 -15.440 148 HE1 TYR 18 HE1 TYR 18 -10.597 3.886 -16.231 149 HE2 TYR 18 HE2 TYR 18 -6.422 3.297 -15.337 150 HH TYR 18 HH TYR 18 -7.430 5.342 -15.449 151 H PHE 19 H PHE 19 -11.602 -2.517 -14.838 152 HA PHE 19 HA PHE 19 -10.226 -5.161 -14.996 153 HB2 PHE 19 HB2 PHE 19 -10.834 -4.985 -12.720 154 HB3 PHE 19 HB3 PHE 19 -12.408 -4.289 -13.094 155 HD1 PHE 19 HD1 PHE 19 -10.429 -7.422 -12.999 156 HD2 PHE 19 HD2 PHE 19 -14.310 -5.690 -13.742 157 HE1 PHE 19 HE1 PHE 19 -11.462 -9.676 -12.871 158 HE2 PHE 19 HE2 PHE 19 -15.342 -7.939 -13.575 159 HZ PHE 19 HZ PHE 19 -13.921 -9.938 -13.157 160 H ASN 20 H ASN 20 -11.111 -6.627 -16.331 161 HA ASN 20 HA ASN 20 -13.341 -5.721 -18.071 162 HB2 ASN 20 HB2 ASN 20 -11.119 -6.176 -19.097 163 HB3 ASN 20 HB3 ASN 20 -11.238 -7.853 -18.548 164 HD21 ASN 20 HD21 ASN 20 -13.221 -6.713 -21.891 165 HD22 ASN 20 HD22 ASN 20 -12.209 -5.580 -21.000 166 H HIS 21 H HIS 21 -15.307 -6.534 -17.584 167 HA HIS 21 HA HIS 21 -15.514 -8.794 -15.755 168 HB2 HIS 21 HB2 HIS 21 -17.675 -8.172 -15.402 169 HB3 HIS 21 HB3 HIS 21 -16.942 -6.627 -15.835 170 HD2 HIS 21 HD2 HIS 21 -17.694 -5.557 -18.244 171 HE1 HIS 21 HE1 HIS 21 -20.935 -8.226 -18.977 172 HE2 HIS 21 HE2 HIS 21 -19.832 -6.047 -19.699 173 H ILE 22 H ILE 22 -15.470 -8.620 -19.153 174 HA ILE 22 HA ILE 22 -17.026 -11.051 -19.670 175 HB ILE 22 HB ILE 22 -15.204 -9.386 -21.445 176 HG12 ILE 22 HG12 ILE 22 -17.127 -8.073 -20.644 177 HG13 ILE 22 HG13 ILE 22 -17.164 -8.355 -22.380 178 HG21 ILE 22 HG21 ILE 22 -15.361 -11.571 -22.425 179 HG22 ILE 22 HG22 ILE 22 -17.118 -11.626 -22.181 180 HG23 ILE 22 HG23 ILE 22 -16.405 -10.485 -23.345 181 HD11 ILE 22 HD11 ILE 22 -18.908 -10.089 -22.086 182 HD12 ILE 22 HD12 ILE 22 -18.849 -9.849 -20.321 183 HD13 ILE 22 HD13 ILE 22 -19.393 -8.539 -21.385 184 H THR 23 H THR 23 -13.608 -10.187 -19.387 185 HA THR 23 HA THR 23 -12.791 -13.039 -19.830 186 HB THR 23 HB THR 23 -10.658 -12.167 -20.598 187 HG1 THR 23 HG1 THR 23 -11.820 -9.609 -20.347 188 HG21 THR 23 HG21 THR 23 -11.319 -11.111 -22.670 189 HG22 THR 23 HG22 THR 23 -12.494 -12.377 -22.270 190 HG23 THR 23 HG23 THR 23 -12.906 -10.666 -22.011 191 H ASN 24 H ASN 24 -12.994 -10.812 -17.309 192 HA ASN 24 HA ASN 24 -12.165 -10.564 -15.287 193 HB2 ASN 24 HB2 ASN 24 -11.079 -13.386 -15.439 194 HB3 ASN 24 HB3 ASN 24 -11.395 -12.437 -13.979 195 HD21 ASN 24 HD21 ASN 24 -12.697 -14.808 -15.966 196 HD22 ASN 24 HD22 ASN 24 -14.380 -14.622 -15.462 197 H ALA 25 H ALA 25 -10.375 -10.002 -17.709 198 HA ALA 25 HA ALA 25 -7.675 -9.968 -16.626 199 HB1 ALA 25 HB1 ALA 25 -8.153 -10.016 -19.053 200 HB2 ALA 25 HB2 ALA 25 -8.918 -8.415 -18.935 201 HB3 ALA 25 HB3 ALA 25 -7.185 -8.600 -18.602 202 H SER 26 H SER 26 -6.460 -7.964 -16.158 203 HA SER 26 HA SER 26 -7.982 -5.576 -15.438 204 HB2 SER 26 HB2 SER 26 -7.131 -5.427 -13.140 205 HB3 SER 26 HB3 SER 26 -8.235 -6.780 -13.362 206 HG SER 26 HG SER 26 -6.477 -8.176 -13.417 207 H GLN 27 H GLN 27 -6.794 -3.717 -15.137 208 HA GLN 27 HA GLN 27 -3.843 -3.752 -15.444 209 HB2 GLN 27 HB2 GLN 27 -5.784 -2.248 -17.260 210 HB3 GLN 27 HB3 GLN 27 -4.114 -1.728 -16.979 211 HG2 GLN 27 HG2 GLN 27 -3.255 -3.837 -17.812 212 HG3 GLN 27 HG3 GLN 27 -4.905 -4.386 -18.188 213 HE21 GLN 27 HE21 GLN 27 -4.593 -0.972 -18.850 214 HE22 GLN 27 HE22 GLN 27 -4.189 -1.170 -20.559 215 H PHE 28 H PHE 28 -2.828 -2.052 -14.376 216 HA PHE 28 HA PHE 28 -4.394 -0.326 -12.604 217 HB2 PHE 28 HB2 PHE 28 -2.288 -1.114 -11.826 218 HB3 PHE 28 HB3 PHE 28 -1.465 -0.640 -13.320 219 HD1 PHE 28 HD1 PHE 28 -3.154 0.737 -10.270 220 HD2 PHE 28 HD2 PHE 28 -0.584 1.522 -13.638 221 HE1 PHE 28 HE1 PHE 28 -2.576 2.961 -9.309 222 HE2 PHE 28 HE2 PHE 28 -0.028 3.756 -12.701 223 HZ PHE 28 HZ PHE 28 -1.014 4.471 -10.518 224 H GLU 29 H GLU 29 -3.038 -0.104 -15.839 225 HA GLU 29 HA GLU 29 -3.656 2.812 -16.002 226 HB2 GLU 29 HB2 GLU 29 -2.115 2.955 -17.812 227 HB3 GLU 29 HB3 GLU 29 -1.329 2.199 -16.422 228 HG2 GLU 29 HG2 GLU 29 -1.765 -0.061 -17.515 229 HG3 GLU 29 HG3 GLU 29 -2.347 0.802 -18.941 230 H ARG 30 H ARG 30 -4.615 3.645 -17.930 231 HA ARG 30 HA ARG 30 -7.130 2.556 -18.295 232 HB2 ARG 30 HB2 ARG 30 -6.042 4.944 -18.690 233 HB3 ARG 30 HB3 ARG 30 -6.022 4.450 -20.372 234 HG2 ARG 30 HG2 ARG 30 -8.448 4.609 -18.527 235 HG3 ARG 30 HG3 ARG 30 -7.965 5.834 -19.701 236 HD2 ARG 30 HD2 ARG 30 -9.014 3.047 -20.302 237 HD3 ARG 30 HD3 ARG 30 -9.871 4.557 -20.509 238 HE ARG 30 HE ARG 30 -8.080 3.295 -22.345 239 HH11 ARG 30 HH11 ARG 30 -9.123 6.517 -21.406 240 HH12 ARG 30 HH12 ARG 30 -8.840 7.165 -23.002 241 HH21 ARG 30 HH21 ARG 30 -8.062 5.916 -24.592 242 HH22 ARG 30 HH22 ARG 30 -7.699 4.232 -24.360 243 HA PRO 31 HA PRO 31 -6.253 -0.653 -21.356 244 HB2 PRO 31 HB2 PRO 31 -8.828 -1.485 -21.890 245 HB3 PRO 31 HB3 PRO 31 -7.907 -1.926 -20.416 246 HG2 PRO 31 HG2 PRO 31 -9.881 0.362 -20.747 247 HG3 PRO 31 HG3 PRO 31 -9.863 -0.890 -19.465 248 HD2 PRO 31 HD2 PRO 31 -8.786 1.485 -18.983 249 HD3 PRO 31 HD3 PRO 31 -7.879 0.025 -18.500 250 H SER 32 H SER 32 -6.147 -0.799 -23.577 251 HA SER 32 HA SER 32 -5.794 0.148 -25.612 252 HB2 SER 32 HB2 SER 32 -8.729 0.899 -25.442 253 HB3 SER 32 HB3 SER 32 -7.733 0.850 -26.914 254 HG SER 32 HG SER 32 -8.317 -1.334 -25.190 255 H GLY 33 H GLY 33 -4.701 1.679 -23.760 256 HA2 GLY 33 HA2 GLY 33 -5.365 4.471 -23.703 257 HA3 GLY 33 HA3 GLY 33 -3.813 3.752 -23.288 258 H1 4N2 101 H1 4N2 34 -3.444 -0.261 -3.761 259 H2 4N2 101 H2 4N2 34 -3.953 -2.664 -3.755 260 H3 4N2 101 H3 4N2 34 -1.966 -3.539 -5.062 261 H4 4N2 101 H4 4N2 34 -0.080 -1.917 -5.498 262 H5 4N2 101 H5 4N2 34 -1.173 0.158 -4.812 263 H62 4N2 101 H62 4N2 34 1.263 0.210 -4.673 264 H61 4N2 101 H61 4N2 34 0.530 1.253 -3.457 265 HO2 4N2 101 H2O 4N2 34 -3.137 -3.477 -1.847 266 HO3 4N2 101 H3O 4N2 34 -3.450 -2.269 -6.197 267 HO4 4N2 101 H4O 4N2 34 -0.536 -3.090 -2.947 268 HO6 4N2 101 H6O 4N2 34 1.274 -1.429 -2.857 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -17.004 6.058 -23.505 2 H2 LYS 1 H2 LYS 1 -16.796 4.526 -22.979 3 H3 LYS 1 H3 LYS 1 -16.162 4.997 -24.414 4 HA LYS 1 HA LYS 1 -14.680 6.541 -23.363 5 HB2 LYS 1 HB2 LYS 1 -16.140 7.020 -21.424 6 HB3 LYS 1 HB3 LYS 1 -15.729 5.451 -20.722 7 HG2 LYS 1 HG2 LYS 1 -13.338 6.135 -20.590 8 HG3 LYS 1 HG3 LYS 1 -13.717 7.642 -21.432 9 HD2 LYS 1 HD2 LYS 1 -13.489 8.124 -19.093 10 HD3 LYS 1 HD3 LYS 1 -15.192 8.315 -19.534 11 HE2 LYS 1 HE2 LYS 1 -15.646 6.018 -18.616 12 HE3 LYS 1 HE3 LYS 1 -13.942 5.891 -18.151 13 HZ1 LYS 1 HZ1 LYS 1 -14.282 7.823 -16.695 14 HZ2 LYS 1 HZ2 LYS 1 -15.850 7.935 -17.137 15 HZ3 LYS 1 HZ3 LYS 1 -15.336 6.636 -16.297 16 H LEU 2 H LEU 2 -15.025 3.450 -21.490 17 HA LEU 2 HA LEU 2 -12.341 2.625 -22.394 18 HB2 LEU 2 HB2 LEU 2 -14.340 1.206 -20.587 19 HB3 LEU 2 HB3 LEU 2 -12.730 0.668 -20.971 20 HG LEU 2 HG LEU 2 -12.362 1.466 -18.924 21 HD11 LEU 2 HD11 LEU 2 -10.845 2.672 -20.532 22 HD12 LEU 2 HD12 LEU 2 -11.920 4.081 -20.399 23 HD13 LEU 2 HD13 LEU 2 -11.073 3.471 -18.967 24 HD21 LEU 2 HD21 LEU 2 -13.330 3.419 -17.871 25 HD22 LEU 2 HD22 LEU 2 -14.191 3.842 -19.368 26 HD23 LEU 2 HD23 LEU 2 -14.591 2.343 -18.494 27 HA PRO 3 HA PRO 3 -13.889 -0.027 -25.656 28 HB2 PRO 3 HB2 PRO 3 -12.048 -2.084 -25.686 29 HB3 PRO 3 HB3 PRO 3 -11.733 -0.433 -26.302 30 HG2 PRO 3 HG2 PRO 3 -10.976 -1.615 -23.633 31 HG3 PRO 3 HG3 PRO 3 -9.981 -0.614 -24.726 32 HD2 PRO 3 HD2 PRO 3 -11.315 0.368 -22.544 33 HD3 PRO 3 HD3 PRO 3 -11.014 1.361 -23.993 34 HA PRO 4 HA PRO 4 -16.721 -2.858 -24.246 35 HB2 PRO 4 HB2 PRO 4 -15.559 -5.118 -25.891 36 HB3 PRO 4 HB3 PRO 4 -17.275 -4.615 -25.717 37 HG2 PRO 4 HG2 PRO 4 -15.875 -3.803 -27.874 38 HG3 PRO 4 HG3 PRO 4 -16.883 -2.610 -26.985 39 HD2 PRO 4 HD2 PRO 4 -13.894 -3.061 -26.802 40 HD3 PRO 4 HD3 PRO 4 -14.803 -1.521 -26.917 41 H GLY 5 H GLY 5 -17.198 -3.989 -22.500 42 HA2 GLY 5 HA2 GLY 5 -17.128 -5.575 -20.817 43 HA3 GLY 5 HA3 GLY 5 -15.587 -6.188 -21.440 44 H TRP 6 H TRP 6 -14.639 -3.145 -21.202 45 HA TRP 6 HA TRP 6 -13.456 -3.579 -18.567 46 HB2 TRP 6 HB2 TRP 6 -13.050 -1.479 -20.683 47 HB3 TRP 6 HB3 TRP 6 -12.187 -1.503 -19.140 48 HD1 TRP 6 HD1 TRP 6 -12.349 -3.180 -22.524 49 HE1 TRP 6 HE1 TRP 6 -10.325 -4.706 -22.882 50 HE3 TRP 6 HE3 TRP 6 -10.398 -3.074 -17.776 51 HZ2 TRP 6 HZ2 TRP 6 -8.308 -5.949 -21.271 52 HZ3 TRP 6 HZ3 TRP 6 -8.373 -4.437 -17.237 53 HH2 TRP 6 HH2 TRP 6 -7.351 -5.893 -18.955 54 H GLU 7 H GLU 7 -13.592 -2.421 -16.769 55 HA GLU 7 HA GLU 7 -15.422 -0.090 -16.479 56 HB2 GLU 7 HB2 GLU 7 -16.620 -2.283 -16.057 57 HB3 GLU 7 HB3 GLU 7 -15.435 -2.629 -14.798 58 HG2 GLU 7 HG2 GLU 7 -16.238 -0.441 -13.675 59 HG3 GLU 7 HG3 GLU 7 -17.532 -0.423 -14.864 60 H LYS 8 H LYS 8 -14.847 1.290 -14.707 61 HA LYS 8 HA LYS 8 -12.145 1.026 -13.589 62 HB2 LYS 8 HB2 LYS 8 -14.346 3.088 -13.306 63 HB3 LYS 8 HB3 LYS 8 -12.990 3.038 -12.166 64 HG2 LYS 8 HG2 LYS 8 -11.371 3.162 -14.001 65 HG3 LYS 8 HG3 LYS 8 -12.698 3.182 -15.179 66 HD2 LYS 8 HD2 LYS 8 -11.922 5.434 -14.938 67 HD3 LYS 8 HD3 LYS 8 -13.487 5.352 -14.106 68 HE2 LYS 8 HE2 LYS 8 -12.301 5.105 -11.928 69 HE3 LYS 8 HE3 LYS 8 -10.746 5.123 -12.773 70 HZ1 LYS 8 HZ1 LYS 8 -12.681 7.377 -12.722 71 HZ2 LYS 8 HZ2 LYS 8 -11.293 7.307 -11.870 72 HZ3 LYS 8 HZ3 LYS 8 -11.240 7.392 -13.499 73 H ARG 9 H ARG 9 -11.565 0.521 -11.660 74 HA ARG 9 HA ARG 9 -13.450 -0.313 -9.522 75 HB2 ARG 9 HB2 ARG 9 -12.950 -2.198 -11.237 76 HB3 ARG 9 HB3 ARG 9 -11.333 -2.255 -10.546 77 HG2 ARG 9 HG2 ARG 9 -12.177 -2.979 -8.422 78 HG3 ARG 9 HG3 ARG 9 -13.838 -2.483 -8.809 79 HD2 ARG 9 HD2 ARG 9 -12.377 -4.696 -10.303 80 HD3 ARG 9 HD3 ARG 9 -13.359 -4.963 -8.844 81 HE ARG 9 HE ARG 9 -14.752 -3.511 -10.988 82 HH11 ARG 9 HH11 ARG 9 -16.549 -4.401 -11.891 83 HH12 ARG 9 HH12 ARG 9 -16.914 -6.091 -11.611 84 HH21 ARG 9 HH21 ARG 9 -14.132 -6.720 -9.712 85 HH22 ARG 9 HH22 ARG 9 -15.577 -7.371 -10.439 86 H MET 10 H MET 10 -12.029 -1.156 -7.551 87 HA MET 10 HA MET 10 -9.605 0.495 -7.180 88 HB2 MET 10 HB2 MET 10 -12.214 0.974 -5.663 89 HB3 MET 10 HB3 MET 10 -10.625 1.597 -5.180 90 HG2 MET 10 HG2 MET 10 -10.494 2.764 -7.407 91 HG3 MET 10 HG3 MET 10 -12.172 2.301 -7.688 92 HE1 MET 10 HE1 MET 10 -10.684 5.390 -4.562 93 HE2 MET 10 HE2 MET 10 -10.365 3.663 -4.316 94 HE3 MET 10 HE3 MET 10 -9.660 4.507 -5.714 95 H PHE 11 H PHE 11 -8.330 -0.114 -5.575 96 HA PHE 11 HA PHE 11 -8.809 -2.579 -4.039 97 HB2 PHE 11 HB2 PHE 11 -6.525 -0.571 -4.090 98 HB3 PHE 11 HB3 PHE 11 -6.533 -2.041 -3.131 99 HD1 PHE 11 HD1 PHE 11 -6.032 -0.636 -6.485 100 HD2 PHE 11 HD2 PHE 11 -6.430 -4.283 -4.216 101 HE1 PHE 11 HE1 PHE 11 -5.000 -1.909 -8.347 102 HE2 PHE 11 HE2 PHE 11 -5.396 -5.552 -6.083 103 HZ PHE 11 HZ PHE 11 -4.680 -4.367 -8.151 104 H ALA 12 H ALA 12 -8.759 -2.663 -1.720 105 HA ALA 12 HA ALA 12 -10.407 -0.776 -0.396 106 HB1 ALA 12 HB1 ALA 12 -9.920 -2.148 1.593 107 HB2 ALA 12 HB2 ALA 12 -10.232 -3.169 0.178 108 HB3 ALA 12 HB3 ALA 12 -8.563 -2.921 0.746 109 H ASN 13 H ASN 13 -6.990 -0.625 -0.898 110 HA ASN 13 HA ASN 13 -6.441 1.248 1.292 111 HB2 ASN 13 HB2 ASN 13 -4.172 1.270 0.402 112 HB3 ASN 13 HB3 ASN 13 -4.767 -0.385 0.589 113 HD21 ASN 13 HD21 ASN 13 -3.066 -1.023 -0.869 114 H GLY 14 H GLY 14 -8.100 1.692 -1.571 115 HA2 GLY 14 HA2 GLY 14 -8.965 3.730 -2.316 116 HA3 GLY 14 HA3 GLY 14 -7.660 4.620 -1.517 117 H THR 15 H THR 15 -6.580 1.978 -3.506 118 HA THR 15 HA THR 15 -5.554 3.884 -5.548 119 HB THR 15 HB THR 15 -4.914 0.944 -5.135 120 HG1 THR 15 HG1 THR 15 -4.196 2.013 -3.439 121 HG21 THR 15 HG21 THR 15 -3.527 3.079 -6.810 122 HG22 THR 15 HG22 THR 15 -2.864 1.471 -6.442 123 HG23 THR 15 HG23 THR 15 -4.330 1.607 -7.413 124 H VAL 16 H VAL 16 -6.076 3.823 -7.717 125 HA VAL 16 HA VAL 16 -8.565 2.398 -8.431 126 HB VAL 16 HB VAL 16 -7.057 4.697 -9.723 127 HG11 VAL 16 HG11 VAL 16 -9.708 3.428 -10.522 128 HG12 VAL 16 HG12 VAL 16 -9.108 4.999 -11.112 129 HG13 VAL 16 HG13 VAL 16 -8.225 3.528 -11.507 130 HG21 VAL 16 HG21 VAL 16 -8.239 5.258 -7.592 131 HG22 VAL 16 HG22 VAL 16 -8.959 6.054 -8.994 132 HG23 VAL 16 HG23 VAL 16 -9.745 4.625 -8.297 133 H TYR 17 H TYR 17 -8.836 1.107 -10.170 134 HA TYR 17 HA TYR 17 -6.714 0.654 -12.114 135 HB2 TYR 17 HB2 TYR 17 -6.392 -1.658 -11.812 136 HB3 TYR 17 HB3 TYR 17 -6.127 -0.921 -10.262 137 HD1 TYR 17 HD1 TYR 17 -7.920 -1.147 -8.446 138 HD2 TYR 17 HD2 TYR 17 -7.992 -3.396 -12.127 139 HE1 TYR 17 HE1 TYR 17 -9.324 -2.906 -7.360 140 HE2 TYR 17 HE2 TYR 17 -9.437 -5.111 -11.056 141 HH TYR 17 HH TYR 17 -10.244 -5.893 -9.047 142 H TYR 18 H TYR 18 -7.539 -1.222 -13.667 143 HA TYR 18 HA TYR 18 -10.430 -0.784 -14.278 144 HB2 TYR 18 HB2 TYR 18 -8.096 -0.994 -16.213 145 HB3 TYR 18 HB3 TYR 18 -9.806 -0.869 -16.652 146 HD1 TYR 18 HD1 TYR 18 -6.960 0.952 -15.047 147 HD2 TYR 18 HD2 TYR 18 -10.910 1.264 -16.761 148 HE1 TYR 18 HE1 TYR 18 -6.834 3.427 -14.875 149 HE2 TYR 18 HE2 TYR 18 -10.761 3.742 -16.625 150 HH TYR 18 HH TYR 18 -7.915 5.405 -15.248 151 H PHE 19 H PHE 19 -11.605 -2.552 -14.759 152 HA PHE 19 HA PHE 19 -10.278 -5.229 -14.932 153 HB2 PHE 19 HB2 PHE 19 -10.967 -5.006 -12.672 154 HB3 PHE 19 HB3 PHE 19 -12.522 -4.309 -13.114 155 HD1 PHE 19 HD1 PHE 19 -14.418 -5.727 -13.771 156 HD2 PHE 19 HD2 PHE 19 -10.533 -7.448 -12.995 157 HE1 PHE 19 HE1 PHE 19 -15.437 -7.974 -13.618 158 HE2 PHE 19 HE2 PHE 19 -11.557 -9.705 -12.899 159 HZ PHE 19 HZ PHE 19 -14.017 -9.971 -13.199 160 H ASN 20 H ASN 20 -11.165 -6.676 -16.309 161 HA ASN 20 HA ASN 20 -13.396 -5.738 -18.033 162 HB2 ASN 20 HB2 ASN 20 -11.178 -6.273 -19.045 163 HB3 ASN 20 HB3 ASN 20 -11.397 -7.954 -18.543 164 HD21 ASN 20 HD21 ASN 20 -11.520 -6.169 -21.215 165 HD22 ASN 20 HD22 ASN 20 -12.885 -6.909 -22.039 166 H HIS 21 H HIS 21 -15.368 -6.519 -17.604 167 HA HIS 21 HA HIS 21 -15.705 -8.743 -15.755 168 HB2 HIS 21 HB2 HIS 21 -17.859 -8.061 -15.526 169 HB3 HIS 21 HB3 HIS 21 -17.093 -6.546 -15.992 170 HD2 HIS 21 HD2 HIS 21 -17.911 -5.421 -18.286 171 HE1 HIS 21 HE1 HIS 21 -20.824 -8.332 -19.384 172 HE2 HIS 21 HE2 HIS 21 -19.896 -6.020 -19.906 173 H ILE 22 H ILE 22 -15.450 -8.627 -19.152 174 HA ILE 22 HA ILE 22 -17.027 -11.076 -19.662 175 HB ILE 22 HB ILE 22 -15.401 -9.311 -21.539 176 HG12 ILE 22 HG12 ILE 22 -18.410 -9.373 -20.982 177 HG13 ILE 22 HG13 ILE 22 -17.290 -8.089 -20.493 178 HG21 ILE 22 HG21 ILE 22 -17.447 -11.486 -22.166 179 HG22 ILE 22 HG22 ILE 22 -16.632 -10.446 -23.355 180 HG23 ILE 22 HG23 ILE 22 -15.692 -11.600 -22.431 181 HD11 ILE 22 HD11 ILE 22 -18.441 -7.272 -22.368 182 HD12 ILE 22 HD12 ILE 22 -16.801 -7.659 -22.926 183 HD13 ILE 22 HD13 ILE 22 -18.161 -8.743 -23.315 184 H THR 23 H THR 23 -13.634 -9.992 -19.672 185 HA THR 23 HA THR 23 -12.689 -12.762 -20.247 186 HB THR 23 HB THR 23 -10.640 -11.760 -20.984 187 HG1 THR 23 HG1 THR 23 -10.696 -9.365 -20.994 188 HG21 THR 23 HG21 THR 23 -11.343 -10.411 -22.848 189 HG22 THR 23 HG22 THR 23 -12.598 -11.634 -22.582 190 HG23 THR 23 HG23 THR 23 -12.859 -9.955 -22.049 191 H ASN 24 H ASN 24 -13.034 -10.796 -17.540 192 HA ASN 24 HA ASN 24 -12.255 -10.719 -15.470 193 HB2 ASN 24 HB2 ASN 24 -11.136 -13.505 -15.895 194 HB3 ASN 24 HB3 ASN 24 -11.472 -12.717 -14.346 195 HD21 ASN 24 HD21 ASN 24 -13.719 -12.345 -13.737 196 HD22 ASN 24 HD22 ASN 24 -14.982 -13.314 -14.501 197 H ALA 25 H ALA 25 -10.376 -9.968 -17.809 198 HA ALA 25 HA ALA 25 -7.721 -10.021 -16.624 199 HB1 ALA 25 HB1 ALA 25 -8.871 -8.358 -18.905 200 HB2 ALA 25 HB2 ALA 25 -7.150 -8.573 -18.524 201 HB3 ALA 25 HB3 ALA 25 -8.113 -9.960 -19.066 202 H SER 26 H SER 26 -6.503 -8.106 -15.971 203 HA SER 26 HA SER 26 -7.994 -5.682 -15.259 204 HB2 SER 26 HB2 SER 26 -7.185 -5.666 -12.920 205 HB3 SER 26 HB3 SER 26 -8.331 -6.965 -13.250 206 HG SER 26 HG SER 26 -5.495 -7.199 -13.075 207 H GLN 27 H GLN 27 -6.752 -3.836 -15.009 208 HA GLN 27 HA GLN 27 -3.820 -3.960 -15.100 209 HB2 GLN 27 HB2 GLN 27 -3.582 -2.741 -17.161 210 HB3 GLN 27 HB3 GLN 27 -4.456 -4.249 -17.453 211 HG2 GLN 27 HG2 GLN 27 -6.546 -3.105 -17.732 212 HG3 GLN 27 HG3 GLN 27 -5.863 -1.574 -17.204 213 HE21 GLN 27 HE21 GLN 27 -4.571 -0.374 -18.647 214 HE22 GLN 27 HE22 GLN 27 -4.311 -0.849 -20.332 215 H PHE 28 H PHE 28 -2.783 -1.861 -14.737 216 HA PHE 28 HA PHE 28 -4.359 -0.348 -12.780 217 HB2 PHE 28 HB2 PHE 28 -2.241 -1.117 -12.076 218 HB3 PHE 28 HB3 PHE 28 -1.441 -0.532 -13.543 219 HD1 PHE 28 HD1 PHE 28 -0.630 1.682 -13.745 220 HD2 PHE 28 HD2 PHE 28 -3.066 0.591 -10.361 221 HE1 PHE 28 HE1 PHE 28 -0.075 3.848 -12.651 222 HE2 PHE 28 HE2 PHE 28 -2.505 2.749 -9.261 223 HZ PHE 28 HZ PHE 28 -1.009 4.379 -10.402 224 H GLU 29 H GLU 29 -2.589 0.436 -15.787 225 HA GLU 29 HA GLU 29 -3.656 3.208 -15.838 226 HB2 GLU 29 HB2 GLU 29 -2.373 3.468 -17.853 227 HB3 GLU 29 HB3 GLU 29 -1.342 2.880 -16.559 228 HG2 GLU 29 HG2 GLU 29 -2.526 0.987 -18.643 229 HG3 GLU 29 HG3 GLU 29 -1.080 1.926 -18.960 230 H ARG 30 H ARG 30 -4.905 3.899 -17.888 231 HA ARG 30 HA ARG 30 -7.135 2.143 -17.949 232 HB2 ARG 30 HB2 ARG 30 -8.334 3.688 -19.247 233 HB3 ARG 30 HB3 ARG 30 -7.392 4.584 -18.081 234 HG2 ARG 30 HG2 ARG 30 -6.045 5.518 -19.642 235 HG3 ARG 30 HG3 ARG 30 -6.197 4.228 -20.842 236 HD2 ARG 30 HD2 ARG 30 -8.469 6.110 -20.124 237 HD3 ARG 30 HD3 ARG 30 -7.343 6.375 -21.469 238 HE ARG 30 HE ARG 30 -8.302 3.764 -21.842 239 HH11 ARG 30 HH11 ARG 30 -9.832 3.216 -23.191 240 HH12 ARG 30 HH12 ARG 30 -11.153 4.328 -23.593 241 HH21 ARG 30 HH21 ARG 30 -11.106 6.383 -22.877 242 HH22 ARG 30 HH22 ARG 30 -9.864 6.922 -21.767 243 HA PRO 31 HA PRO 31 -6.493 -0.376 -21.579 244 HB2 PRO 31 HB2 PRO 31 -9.044 -1.206 -22.057 245 HB3 PRO 31 HB3 PRO 31 -8.116 -1.744 -20.617 246 HG2 PRO 31 HG2 PRO 31 -10.158 0.496 -20.796 247 HG3 PRO 31 HG3 PRO 31 -10.049 -0.806 -19.573 248 HD2 PRO 31 HD2 PRO 31 -9.016 1.716 -19.173 249 HD3 PRO 31 HD3 PRO 31 -8.268 0.232 -18.488 250 H SER 32 H SER 32 -6.690 -0.296 -23.838 251 HA SER 32 HA SER 32 -8.518 1.517 -25.189 252 HB2 SER 32 HB2 SER 32 -6.700 3.073 -24.468 253 HB3 SER 32 HB3 SER 32 -5.520 2.046 -25.313 254 HG SER 32 HG SER 32 -7.566 3.683 -26.367 255 H GLY 33 H GLY 33 -8.769 0.972 -27.311 256 HA2 GLY 33 HA2 GLY 33 -8.678 -0.204 -29.305 257 HA3 GLY 33 HA3 GLY 33 -6.981 -0.540 -28.968 258 H1 4N2 101 H1 4N2 34 -3.446 -0.239 -3.700 259 H2 4N2 101 H2 4N2 34 -4.016 -2.635 -3.653 260 H3 4N2 101 H3 4N2 34 -2.070 -3.552 -4.991 261 H4 4N2 101 H4 4N2 34 -0.163 -1.959 -5.468 262 H5 4N2 101 H5 4N2 34 -1.164 0.142 -4.759 263 H62 4N2 101 H62 4N2 34 1.137 -0.463 -2.842 264 H61 4N2 101 H61 4N2 34 1.330 -0.026 -4.542 265 HO2 4N2 101 H2O 4N2 34 -3.182 -3.435 -1.746 266 HO3 4N2 101 H3O 4N2 34 -3.536 -2.267 -6.121 267 HO4 4N2 101 H4O 4N2 34 -0.559 -3.074 -2.872 268 HO6 4N2 101 H6O 4N2 34 -0.015 1.572 -2.581 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -16.344 6.077 -23.975 2 H2 LYS 1 H2 LYS 1 -16.307 4.553 -23.385 3 H3 LYS 1 H3 LYS 1 -15.770 4.862 -24.901 4 HA LYS 1 HA LYS 1 -13.958 6.196 -24.091 5 HB2 LYS 1 HB2 LYS 1 -15.125 5.528 -21.370 6 HB3 LYS 1 HB3 LYS 1 -13.428 5.977 -21.601 7 HG2 LYS 1 HG2 LYS 1 -14.098 8.123 -22.617 8 HG3 LYS 1 HG3 LYS 1 -15.804 7.694 -22.430 9 HD2 LYS 1 HD2 LYS 1 -15.137 9.208 -20.657 10 HD3 LYS 1 HD3 LYS 1 -15.542 7.629 -19.971 11 HE2 LYS 1 HE2 LYS 1 -13.134 7.068 -19.783 12 HE3 LYS 1 HE3 LYS 1 -12.705 8.598 -20.566 13 HZ1 LYS 1 HZ1 LYS 1 -13.715 9.769 -18.688 14 HZ2 LYS 1 HZ2 LYS 1 -14.116 8.361 -17.962 15 HZ3 LYS 1 HZ3 LYS 1 -12.545 8.767 -18.152 16 H LEU 2 H LEU 2 -14.469 3.367 -21.904 17 HA LEU 2 HA LEU 2 -11.899 2.283 -22.696 18 HB2 LEU 2 HB2 LEU 2 -14.031 0.910 -21.028 19 HB3 LEU 2 HB3 LEU 2 -12.322 0.562 -21.121 20 HG LEU 2 HG LEU 2 -12.497 1.461 -19.077 21 HD11 LEU 2 HD11 LEU 2 -11.855 4.007 -20.600 22 HD12 LEU 2 HD12 LEU 2 -11.303 3.503 -18.990 23 HD13 LEU 2 HD13 LEU 2 -10.736 2.632 -20.426 24 HD21 LEU 2 HD21 LEU 2 -13.741 3.360 -18.339 25 HD22 LEU 2 HD22 LEU 2 -14.237 3.772 -19.986 26 HD23 LEU 2 HD23 LEU 2 -14.822 2.272 -19.222 27 HA PRO 3 HA PRO 3 -13.319 -0.681 -25.779 28 HB2 PRO 3 HB2 PRO 3 -11.710 -2.877 -24.590 29 HB3 PRO 3 HB3 PRO 3 -11.580 -2.118 -26.200 30 HG2 PRO 3 HG2 PRO 3 -9.729 -1.684 -24.211 31 HG3 PRO 3 HG3 PRO 3 -10.172 -0.445 -25.423 32 HD2 PRO 3 HD2 PRO 3 -11.147 -0.722 -22.581 33 HD3 PRO 3 HD3 PRO 3 -10.638 0.746 -23.471 34 HA PRO 4 HA PRO 4 -16.599 -3.238 -24.331 35 HB2 PRO 4 HB2 PRO 4 -15.320 -5.660 -25.625 36 HB3 PRO 4 HB3 PRO 4 -17.038 -5.137 -25.658 37 HG2 PRO 4 HG2 PRO 4 -15.459 -4.559 -27.761 38 HG3 PRO 4 HG3 PRO 4 -16.508 -3.270 -27.074 39 HD2 PRO 4 HD2 PRO 4 -13.553 -3.748 -26.576 40 HD3 PRO 4 HD3 PRO 4 -14.398 -2.216 -26.967 41 H GLY 5 H GLY 5 -17.132 -4.056 -22.458 42 HA2 GLY 5 HA2 GLY 5 -17.218 -5.433 -20.605 43 HA3 GLY 5 HA3 GLY 5 -15.722 -6.231 -21.122 44 H TRP 6 H TRP 6 -14.539 -3.242 -21.128 45 HA TRP 6 HA TRP 6 -13.403 -3.506 -18.458 46 HB2 TRP 6 HB2 TRP 6 -13.038 -1.448 -20.619 47 HB3 TRP 6 HB3 TRP 6 -12.144 -1.455 -19.091 48 HD1 TRP 6 HD1 TRP 6 -12.297 -3.034 -22.474 49 HE1 TRP 6 HE1 TRP 6 -10.219 -4.464 -22.915 50 HE3 TRP 6 HE3 TRP 6 -10.356 -3.097 -17.733 51 HZ2 TRP 6 HZ2 TRP 6 -8.256 -5.828 -21.333 52 HZ3 TRP 6 HZ3 TRP 6 -8.331 -4.475 -17.241 53 HH2 TRP 6 HH2 TRP 6 -7.300 -5.863 -19.012 54 H GLU 7 H GLU 7 -13.766 -2.391 -16.655 55 HA GLU 7 HA GLU 7 -15.215 0.182 -16.654 56 HB2 GLU 7 HB2 GLU 7 -16.941 -1.594 -16.404 57 HB3 GLU 7 HB3 GLU 7 -16.063 -2.259 -15.033 58 HG2 GLU 7 HG2 GLU 7 -18.020 -0.987 -14.328 59 HG3 GLU 7 HG3 GLU 7 -16.550 -0.269 -13.700 60 H LYS 8 H LYS 8 -14.878 1.407 -14.684 61 HA LYS 8 HA LYS 8 -12.232 1.073 -13.531 62 HB2 LYS 8 HB2 LYS 8 -14.497 3.030 -13.040 63 HB3 LYS 8 HB3 LYS 8 -13.043 3.000 -12.025 64 HG2 LYS 8 HG2 LYS 8 -11.598 3.305 -13.979 65 HG3 LYS 8 HG3 LYS 8 -13.013 3.270 -15.050 66 HD2 LYS 8 HD2 LYS 8 -12.396 5.563 -14.788 67 HD3 LYS 8 HD3 LYS 8 -13.870 5.334 -13.831 68 HE2 LYS 8 HE2 LYS 8 -12.451 5.077 -11.776 69 HE3 LYS 8 HE3 LYS 8 -11.003 5.320 -12.766 70 HZ1 LYS 8 HZ1 LYS 8 -11.705 7.378 -11.678 71 HZ2 LYS 8 HZ2 LYS 8 -11.827 7.551 -13.295 72 HZ3 LYS 8 HZ3 LYS 8 -13.170 7.321 -12.392 73 H ARG 9 H ARG 9 -11.628 0.626 -11.613 74 HA ARG 9 HA ARG 9 -13.338 -0.626 -9.502 75 HB2 ARG 9 HB2 ARG 9 -11.499 -1.982 -11.403 76 HB3 ARG 9 HB3 ARG 9 -10.999 -2.199 -9.749 77 HG2 ARG 9 HG2 ARG 9 -12.379 -4.039 -10.497 78 HG3 ARG 9 HG3 ARG 9 -13.135 -3.190 -9.131 79 HD2 ARG 9 HD2 ARG 9 -14.731 -2.123 -10.550 80 HD3 ARG 9 HD3 ARG 9 -13.864 -2.611 -12.029 81 HE ARG 9 HE ARG 9 -14.550 -4.990 -10.712 82 HH11 ARG 9 HH11 ARG 9 -16.336 -2.307 -12.077 83 HH12 ARG 9 HH12 ARG 9 -17.714 -3.307 -12.477 84 HH21 ARG 9 HH21 ARG 9 -16.336 -6.204 -11.236 85 HH22 ARG 9 HH22 ARG 9 -17.708 -5.452 -12.006 86 H MET 10 H MET 10 -11.975 -1.114 -7.514 87 HA MET 10 HA MET 10 -9.561 0.514 -7.186 88 HB2 MET 10 HB2 MET 10 -11.564 2.092 -6.917 89 HB3 MET 10 HB3 MET 10 -11.994 1.152 -5.475 90 HG2 MET 10 HG2 MET 10 -9.674 1.717 -4.570 91 HG3 MET 10 HG3 MET 10 -9.449 2.734 -5.987 92 HE1 MET 10 HE1 MET 10 -12.531 2.177 -3.457 93 HE2 MET 10 HE2 MET 10 -11.033 2.274 -2.502 94 HE3 MET 10 HE3 MET 10 -12.242 3.571 -2.397 95 H PHE 11 H PHE 11 -8.267 -0.156 -5.565 96 HA PHE 11 HA PHE 11 -8.879 -2.582 -4.026 97 HB2 PHE 11 HB2 PHE 11 -6.492 -0.697 -4.103 98 HB3 PHE 11 HB3 PHE 11 -6.574 -2.125 -3.089 99 HD1 PHE 11 HD1 PHE 11 -6.713 -4.419 -4.107 100 HD2 PHE 11 HD2 PHE 11 -5.899 -0.895 -6.457 101 HE1 PHE 11 HE1 PHE 11 -5.785 -5.837 -5.923 102 HE2 PHE 11 HE2 PHE 11 -4.986 -2.316 -8.272 103 HZ PHE 11 HZ PHE 11 -4.923 -4.788 -8.009 104 H ALA 12 H ALA 12 -8.789 -2.706 -1.703 105 HA ALA 12 HA ALA 12 -10.355 -0.798 -0.323 106 HB1 ALA 12 HB1 ALA 12 -8.506 -2.970 0.760 107 HB2 ALA 12 HB2 ALA 12 -9.826 -2.181 1.649 108 HB3 ALA 12 HB3 ALA 12 -10.195 -3.194 0.243 109 H ASN 13 H ASN 13 -6.943 -0.719 -0.901 110 HA ASN 13 HA ASN 13 -6.316 1.163 1.259 111 HB2 ASN 13 HB2 ASN 13 -4.062 1.114 0.344 112 HB3 ASN 13 HB3 ASN 13 -4.699 -0.524 0.542 113 HD21 ASN 13 HD21 ASN 13 -3.180 -1.362 -0.946 114 H GLY 14 H GLY 14 -7.989 1.613 -1.604 115 HA2 GLY 14 HA2 GLY 14 -8.819 3.664 -2.354 116 HA3 GLY 14 HA3 GLY 14 -7.483 4.532 -1.583 117 H THR 15 H THR 15 -6.442 1.860 -3.542 118 HA THR 15 HA THR 15 -5.428 3.736 -5.615 119 HB THR 15 HB THR 15 -4.808 0.792 -5.199 120 HG1 THR 15 HG1 THR 15 -4.060 1.858 -3.509 121 HG21 THR 15 HG21 THR 15 -4.266 1.487 -7.490 122 HG22 THR 15 HG22 THR 15 -3.414 2.926 -6.873 123 HG23 THR 15 HG23 THR 15 -2.785 1.295 -6.547 124 H VAL 16 H VAL 16 -6.204 3.849 -7.657 125 HA VAL 16 HA VAL 16 -8.605 2.262 -8.325 126 HB VAL 16 HB VAL 16 -7.421 4.828 -9.416 127 HG11 VAL 16 HG11 VAL 16 -9.975 3.436 -10.316 128 HG12 VAL 16 HG12 VAL 16 -9.497 5.096 -10.728 129 HG13 VAL 16 HG13 VAL 16 -8.528 3.744 -11.308 130 HG21 VAL 16 HG21 VAL 16 -9.458 5.836 -8.461 131 HG22 VAL 16 HG22 VAL 16 -10.003 4.244 -7.896 132 HG23 VAL 16 HG23 VAL 16 -8.548 4.993 -7.204 133 H TYR 17 H TYR 17 -8.906 1.084 -10.155 134 HA TYR 17 HA TYR 17 -6.823 0.815 -12.195 135 HB2 TYR 17 HB2 TYR 17 -6.466 -1.526 -11.955 136 HB3 TYR 17 HB3 TYR 17 -6.104 -0.772 -10.433 137 HD1 TYR 17 HD1 TYR 17 -7.650 -1.084 -8.466 138 HD2 TYR 17 HD2 TYR 17 -8.159 -3.236 -12.172 139 HE1 TYR 17 HE1 TYR 17 -8.905 -2.865 -7.264 140 HE2 TYR 17 HE2 TYR 17 -9.483 -4.974 -10.980 141 HH TYR 17 HH TYR 17 -9.967 -4.876 -7.439 142 H TYR 18 H TYR 18 -7.643 -1.070 -13.777 143 HA TYR 18 HA TYR 18 -10.569 -0.697 -14.276 144 HB2 TYR 18 HB2 TYR 18 -8.333 -0.925 -16.318 145 HB3 TYR 18 HB3 TYR 18 -10.061 -0.761 -16.662 146 HD1 TYR 18 HD1 TYR 18 -11.142 1.415 -16.646 147 HD2 TYR 18 HD2 TYR 18 -7.060 0.983 -15.300 148 HE1 TYR 18 HE1 TYR 18 -10.924 3.880 -16.501 149 HE2 TYR 18 HE2 TYR 18 -6.850 3.459 -15.155 150 HH TYR 18 HH TYR 18 -9.555 5.640 -15.999 151 H PHE 19 H PHE 19 -11.734 -2.498 -14.655 152 HA PHE 19 HA PHE 19 -10.349 -5.146 -14.889 153 HB2 PHE 19 HB2 PHE 19 -11.029 -4.992 -12.628 154 HB3 PHE 19 HB3 PHE 19 -12.584 -4.280 -13.048 155 HD1 PHE 19 HD1 PHE 19 -10.620 -7.427 -12.981 156 HD2 PHE 19 HD2 PHE 19 -14.496 -5.675 -13.734 157 HE1 PHE 19 HE1 PHE 19 -11.652 -9.683 -12.955 158 HE2 PHE 19 HE2 PHE 19 -15.523 -7.921 -13.644 159 HZ PHE 19 HZ PHE 19 -14.104 -9.935 -13.279 160 H ASN 20 H ASN 20 -11.214 -6.593 -16.270 161 HA ASN 20 HA ASN 20 -13.450 -5.669 -17.992 162 HB2 ASN 20 HB2 ASN 20 -11.190 -6.138 -18.984 163 HB3 ASN 20 HB3 ASN 20 -11.421 -7.839 -18.567 164 HD21 ASN 20 HD21 ASN 20 -11.510 -5.924 -21.143 165 HD22 ASN 20 HD22 ASN 20 -12.921 -6.522 -21.994 166 H HIS 21 H HIS 21 -15.395 -6.479 -17.532 167 HA HIS 21 HA HIS 21 -15.681 -8.805 -15.810 168 HB2 HIS 21 HB2 HIS 21 -17.830 -8.156 -15.515 169 HB3 HIS 21 HB3 HIS 21 -17.109 -6.611 -15.952 170 HD2 HIS 21 HD2 HIS 21 -17.993 -5.439 -18.195 171 HE1 HIS 21 HE1 HIS 21 -20.854 -8.386 -19.336 172 HE2 HIS 21 HE2 HIS 21 -19.989 -6.036 -19.802 173 H ILE 22 H ILE 22 -15.457 -8.504 -19.207 174 HA ILE 22 HA ILE 22 -16.981 -10.961 -19.829 175 HB ILE 22 HB ILE 22 -15.411 -9.044 -21.603 176 HG12 ILE 22 HG12 ILE 22 -18.421 -9.307 -21.093 177 HG13 ILE 22 HG13 ILE 22 -17.381 -7.994 -20.514 178 HG21 ILE 22 HG21 ILE 22 -15.566 -11.288 -22.632 179 HG22 ILE 22 HG22 ILE 22 -17.325 -11.292 -22.376 180 HG23 ILE 22 HG23 ILE 22 -16.566 -10.140 -23.497 181 HD11 ILE 22 HD11 ILE 22 -16.882 -7.419 -22.928 182 HD12 ILE 22 HD12 ILE 22 -18.200 -8.531 -23.375 183 HD13 ILE 22 HD13 ILE 22 -18.536 -7.120 -22.355 184 H THR 23 H THR 23 -13.606 -9.814 -19.797 185 HA THR 23 HA THR 23 -12.622 -12.537 -20.504 186 HB THR 23 HB THR 23 -10.579 -11.473 -21.176 187 HG1 THR 23 HG1 THR 23 -10.701 -9.073 -21.091 188 HG21 THR 23 HG21 THR 23 -12.526 -11.321 -22.780 189 HG22 THR 23 HG22 THR 23 -12.831 -9.673 -22.177 190 HG23 THR 23 HG23 THR 23 -11.300 -10.058 -22.985 191 H ASN 24 H ASN 24 -13.056 -10.793 -17.688 192 HA ASN 24 HA ASN 24 -12.325 -10.858 -15.599 193 HB2 ASN 24 HB2 ASN 24 -12.811 -13.308 -15.978 194 HB3 ASN 24 HB3 ASN 24 -11.070 -13.550 -16.205 195 HD21 ASN 24 HD21 ASN 24 -10.382 -14.597 -14.367 196 HD22 ASN 24 HD22 ASN 24 -10.800 -14.082 -12.729 197 H ALA 25 H ALA 25 -10.454 -9.814 -17.780 198 HA ALA 25 HA ALA 25 -7.798 -9.956 -16.558 199 HB1 ALA 25 HB1 ALA 25 -7.174 -8.471 -18.407 200 HB2 ALA 25 HB2 ALA 25 -8.121 -9.845 -19.007 201 HB3 ALA 25 HB3 ALA 25 -8.883 -8.248 -18.834 202 H SER 26 H SER 26 -6.599 -8.047 -15.849 203 HA SER 26 HA SER 26 -8.101 -5.617 -15.181 204 HB2 SER 26 HB2 SER 26 -7.317 -5.575 -12.828 205 HB3 SER 26 HB3 SER 26 -8.487 -6.852 -13.155 206 HG SER 26 HG SER 26 -5.658 -7.155 -12.959 207 H GLN 27 H GLN 27 -6.859 -3.774 -15.011 208 HA GLN 27 HA GLN 27 -3.930 -3.935 -14.921 209 HB2 GLN 27 HB2 GLN 27 -3.534 -2.802 -16.999 210 HB3 GLN 27 HB3 GLN 27 -4.425 -4.296 -17.304 211 HG2 GLN 27 HG2 GLN 27 -6.468 -3.090 -17.745 212 HG3 GLN 27 HG3 GLN 27 -5.759 -1.566 -17.224 213 HE21 GLN 27 HE21 GLN 27 -4.657 -0.343 -18.731 214 HE22 GLN 27 HE22 GLN 27 -4.179 -0.939 -20.334 215 H PHE 28 H PHE 28 -2.891 -1.943 -14.419 216 HA PHE 28 HA PHE 28 -4.526 -0.244 -12.733 217 HB2 PHE 28 HB2 PHE 28 -2.423 -0.964 -11.927 218 HB3 PHE 28 HB3 PHE 28 -1.585 -0.464 -13.403 219 HD1 PHE 28 HD1 PHE 28 -3.298 0.834 -10.343 220 HD2 PHE 28 HD2 PHE 28 -0.766 1.730 -13.710 221 HE1 PHE 28 HE1 PHE 28 -2.761 3.051 -9.346 222 HE2 PHE 28 HE2 PHE 28 -0.229 3.953 -12.720 223 HZ PHE 28 HZ PHE 28 -1.225 4.611 -10.531 224 H GLU 29 H GLU 29 -2.672 0.353 -15.742 225 HA GLU 29 HA GLU 29 -3.594 3.151 -15.889 226 HB2 GLU 29 HB2 GLU 29 -2.217 3.338 -17.829 227 HB3 GLU 29 HB3 GLU 29 -1.304 2.540 -16.546 228 HG2 GLU 29 HG2 GLU 29 -1.848 0.317 -17.651 229 HG3 GLU 29 HG3 GLU 29 -2.565 1.217 -18.991 230 H ARG 30 H ARG 30 -4.704 3.979 -17.862 231 HA ARG 30 HA ARG 30 -7.190 2.681 -18.104 232 HB2 ARG 30 HB2 ARG 30 -6.464 5.190 -18.482 233 HB3 ARG 30 HB3 ARG 30 -6.259 4.698 -20.159 234 HG2 ARG 30 HG2 ARG 30 -8.798 3.675 -19.468 235 HG3 ARG 30 HG3 ARG 30 -8.687 5.179 -18.550 236 HD2 ARG 30 HD2 ARG 30 -9.631 5.941 -20.465 237 HD3 ARG 30 HD3 ARG 30 -7.931 6.207 -20.872 238 HE ARG 30 HE ARG 30 -8.412 3.652 -21.834 239 HH11 ARG 30 HH11 ARG 30 -10.075 6.692 -22.443 240 HH12 ARG 30 HH12 ARG 30 -10.806 6.064 -23.901 241 HH21 ARG 30 HH21 ARG 30 -9.390 2.962 -23.617 242 HH22 ARG 30 HH22 ARG 30 -10.559 3.974 -24.462 243 HA PRO 31 HA PRO 31 -6.193 -0.275 -21.360 244 HB2 PRO 31 HB2 PRO 31 -8.715 -1.230 -21.944 245 HB3 PRO 31 HB3 PRO 31 -7.759 -1.719 -20.510 246 HG2 PRO 31 HG2 PRO 31 -9.905 0.415 -20.674 247 HG3 PRO 31 HG3 PRO 31 -9.734 -0.890 -19.456 248 HD2 PRO 31 HD2 PRO 31 -8.868 1.588 -18.921 249 HD3 PRO 31 HD3 PRO 31 -7.885 0.174 -18.431 250 H SER 32 H SER 32 -5.769 0.078 -23.427 251 HA SER 32 HA SER 32 -5.473 1.240 -25.327 252 HB2 SER 32 HB2 SER 32 -8.500 1.275 -25.445 253 HB3 SER 32 HB3 SER 32 -7.391 1.587 -26.803 254 HG SER 32 HG SER 32 -7.563 -0.807 -25.282 255 H GLY 33 H GLY 33 -5.507 2.879 -22.893 256 HA2 GLY 33 HA2 GLY 33 -6.594 5.499 -23.402 257 HA3 GLY 33 HA3 GLY 33 -5.306 5.093 -22.268 258 H1 4N2 101 H1 4N2 34 -3.520 -0.560 -3.786 259 H2 4N2 101 H2 4N2 34 -3.998 -2.961 -3.617 260 H3 4N2 101 H3 4N2 34 -2.026 -3.900 -4.909 261 H4 4N2 101 H4 4N2 34 -0.173 -2.277 -5.495 262 H5 4N2 101 H5 4N2 34 -1.245 -0.172 -4.905 263 H62 4N2 101 H62 4N2 34 1.080 -0.578 -2.966 264 H61 4N2 101 H61 4N2 34 1.258 -0.251 -4.692 265 HO2 4N2 101 H2O 4N2 34 -1.488 -3.379 -2.303 266 HO3 4N2 101 H3O 4N2 34 -3.562 -2.698 -6.079 267 HO4 4N2 101 H4O 4N2 34 0.466 -3.780 -4.016 268 HO6 4N2 101 H6O 4N2 34 -0.146 1.433 -2.849 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -17.340 4.330 -22.259 2 H2 LYS 1 H2 LYS 1 -16.870 5.011 -23.672 3 H3 LYS 1 H3 LYS 1 -17.697 5.892 -22.576 4 HA LYS 1 HA LYS 1 -15.405 6.533 -22.562 5 HB2 LYS 1 HB2 LYS 1 -16.709 6.677 -20.461 6 HB3 LYS 1 HB3 LYS 1 -16.156 5.065 -20.000 7 HG2 LYS 1 HG2 LYS 1 -13.782 5.909 -20.062 8 HG3 LYS 1 HG3 LYS 1 -14.397 7.516 -20.490 9 HD2 LYS 1 HD2 LYS 1 -15.634 7.607 -18.326 10 HD3 LYS 1 HD3 LYS 1 -15.083 5.971 -17.946 11 HE2 LYS 1 HE2 LYS 1 -13.675 7.445 -16.728 12 HE3 LYS 1 HE3 LYS 1 -12.706 6.776 -18.045 13 HZ1 LYS 1 HZ1 LYS 1 -12.395 9.182 -17.809 14 HZ2 LYS 1 HZ2 LYS 1 -13.066 8.869 -19.262 15 HZ3 LYS 1 HZ3 LYS 1 -13.983 9.464 -18.047 16 H LEU 2 H LEU 2 -15.365 3.252 -21.024 17 HA LEU 2 HA LEU 2 -12.663 2.790 -22.087 18 HB2 LEU 2 HB2 LEU 2 -14.489 1.119 -20.313 19 HB3 LEU 2 HB3 LEU 2 -12.899 0.641 -20.817 20 HG LEU 2 HG LEU 2 -12.422 1.328 -18.753 21 HD11 LEU 2 HD11 LEU 2 -12.118 4.016 -20.137 22 HD12 LEU 2 HD12 LEU 2 -11.213 3.409 -18.743 23 HD13 LEU 2 HD13 LEU 2 -11.002 2.642 -20.325 24 HD21 LEU 2 HD21 LEU 2 -14.320 3.680 -18.937 25 HD22 LEU 2 HD22 LEU 2 -14.643 2.116 -18.149 26 HD23 LEU 2 HD23 LEU 2 -13.372 3.177 -17.524 27 HA PRO 3 HA PRO 3 -13.821 0.158 -25.528 28 HB2 PRO 3 HB2 PRO 3 -11.910 -1.840 -25.439 29 HB3 PRO 3 HB3 PRO 3 -11.592 -0.165 -25.994 30 HG2 PRO 3 HG2 PRO 3 -11.126 -1.332 -23.230 31 HG3 PRO 3 HG3 PRO 3 -9.982 -0.395 -24.237 32 HD2 PRO 3 HD2 PRO 3 -11.419 0.791 -22.304 33 HD3 PRO 3 HD3 PRO 3 -11.157 1.612 -23.862 34 HA PRO 4 HA PRO 4 -16.649 -2.818 -24.387 35 HB2 PRO 4 HB2 PRO 4 -15.279 -4.935 -26.068 36 HB3 PRO 4 HB3 PRO 4 -17.029 -4.538 -25.959 37 HG2 PRO 4 HG2 PRO 4 -15.579 -3.537 -27.998 38 HG3 PRO 4 HG3 PRO 4 -16.693 -2.450 -27.099 39 HD2 PRO 4 HD2 PRO 4 -13.693 -2.742 -26.797 40 HD3 PRO 4 HD3 PRO 4 -14.687 -1.253 -26.873 41 H GLY 5 H GLY 5 -17.111 -3.934 -22.650 42 HA2 GLY 5 HA2 GLY 5 -17.070 -5.503 -20.965 43 HA3 GLY 5 HA3 GLY 5 -15.575 -6.188 -21.625 44 H TRP 6 H TRP 6 -14.548 -3.122 -21.322 45 HA TRP 6 HA TRP 6 -13.380 -3.615 -18.666 46 HB2 TRP 6 HB2 TRP 6 -12.873 -1.541 -20.793 47 HB3 TRP 6 HB3 TRP 6 -12.063 -1.548 -19.223 48 HD1 TRP 6 HD1 TRP 6 -12.184 -3.331 -22.567 49 HE1 TRP 6 HE1 TRP 6 -10.133 -4.844 -22.851 50 HE3 TRP 6 HE3 TRP 6 -10.303 -3.052 -17.802 51 HZ2 TRP 6 HZ2 TRP 6 -8.124 -6.014 -21.167 52 HZ3 TRP 6 HZ3 TRP 6 -8.287 -4.384 -17.182 53 HH2 TRP 6 HH2 TRP 6 -7.215 -5.884 -18.835 54 H GLU 7 H GLU 7 -13.656 -2.519 -16.854 55 HA GLU 7 HA GLU 7 -15.211 0.008 -16.716 56 HB2 GLU 7 HB2 GLU 7 -15.729 -2.533 -15.105 57 HB3 GLU 7 HB3 GLU 7 -16.332 -0.956 -14.627 58 HG2 GLU 7 HG2 GLU 7 -17.068 -2.434 -17.178 59 HG3 GLU 7 HG3 GLU 7 -18.044 -2.296 -15.722 60 H LYS 8 H LYS 8 -14.987 1.018 -14.541 61 HA LYS 8 HA LYS 8 -12.212 0.841 -13.528 62 HB2 LYS 8 HB2 LYS 8 -14.495 2.775 -13.033 63 HB3 LYS 8 HB3 LYS 8 -13.057 2.734 -11.997 64 HG2 LYS 8 HG2 LYS 8 -11.580 3.110 -13.891 65 HG3 LYS 8 HG3 LYS 8 -12.952 3.029 -15.013 66 HD2 LYS 8 HD2 LYS 8 -12.408 5.342 -14.733 67 HD3 LYS 8 HD3 LYS 8 -13.919 5.069 -13.851 68 HE2 LYS 8 HE2 LYS 8 -12.600 4.860 -11.728 69 HE3 LYS 8 HE3 LYS 8 -11.112 5.146 -12.644 70 HZ1 LYS 8 HZ1 LYS 8 -13.356 7.080 -12.387 71 HZ2 LYS 8 HZ2 LYS 8 -11.933 7.182 -11.596 72 HZ3 LYS 8 HZ3 LYS 8 -11.973 7.351 -13.217 73 H ARG 9 H ARG 9 -11.610 0.347 -11.583 74 HA ARG 9 HA ARG 9 -13.432 -0.586 -9.455 75 HB2 ARG 9 HB2 ARG 9 -12.957 -2.512 -11.077 76 HB3 ARG 9 HB3 ARG 9 -11.282 -2.465 -10.537 77 HG2 ARG 9 HG2 ARG 9 -11.895 -3.141 -8.314 78 HG3 ARG 9 HG3 ARG 9 -13.612 -2.774 -8.581 79 HD2 ARG 9 HD2 ARG 9 -12.125 -4.930 -10.132 80 HD3 ARG 9 HD3 ARG 9 -12.935 -5.224 -8.574 81 HE ARG 9 HE ARG 9 -14.724 -3.934 -10.439 82 HH11 ARG 9 HH11 ARG 9 -16.473 -5.046 -11.217 83 HH12 ARG 9 HH12 ARG 9 -16.489 -6.788 -11.167 84 HH21 ARG 9 HH21 ARG 9 -13.400 -7.099 -9.721 85 HH22 ARG 9 HH22 ARG 9 -14.790 -7.922 -10.377 86 H MET 10 H MET 10 -12.006 -1.278 -7.461 87 HA MET 10 HA MET 10 -9.590 0.404 -7.175 88 HB2 MET 10 HB2 MET 10 -12.118 0.888 -5.519 89 HB3 MET 10 HB3 MET 10 -10.540 1.664 -5.313 90 HG2 MET 10 HG2 MET 10 -11.655 3.309 -6.399 91 HG3 MET 10 HG3 MET 10 -10.882 2.498 -7.751 92 HE1 MET 10 HE1 MET 10 -14.063 3.598 -9.575 93 HE2 MET 10 HE2 MET 10 -12.986 4.502 -8.486 94 HE3 MET 10 HE3 MET 10 -12.303 3.348 -9.657 95 H PHE 11 H PHE 11 -8.304 -0.140 -5.540 96 HA PHE 11 HA PHE 11 -8.776 -2.566 -3.941 97 HB2 PHE 11 HB2 PHE 11 -6.483 -0.570 -4.059 98 HB3 PHE 11 HB3 PHE 11 -6.495 -2.007 -3.052 99 HD1 PHE 11 HD1 PHE 11 -6.021 -0.726 -6.461 100 HD2 PHE 11 HD2 PHE 11 -6.412 -4.284 -4.054 101 HE1 PHE 11 HE1 PHE 11 -5.046 -2.077 -8.299 102 HE2 PHE 11 HE2 PHE 11 -5.426 -5.630 -5.895 103 HZ PHE 11 HZ PHE 11 -4.746 -4.530 -8.021 104 H ALA 12 H ALA 12 -8.736 -2.606 -1.630 105 HA ALA 12 HA ALA 12 -10.361 -0.680 -0.332 106 HB1 ALA 12 HB1 ALA 12 -10.199 -3.063 0.289 107 HB2 ALA 12 HB2 ALA 12 -8.524 -2.816 0.839 108 HB3 ALA 12 HB3 ALA 12 -9.868 -2.015 1.681 109 H ASN 13 H ASN 13 -6.943 -0.581 -0.854 110 HA ASN 13 HA ASN 13 -6.348 1.326 1.288 111 HB2 ASN 13 HB2 ASN 13 -4.099 1.317 0.359 112 HB3 ASN 13 HB3 ASN 13 -4.704 -0.333 0.559 113 HD21 ASN 13 HD21 ASN 13 -3.169 -1.139 -0.943 114 H GLY 14 H GLY 14 -8.030 1.739 -1.582 115 HA2 GLY 14 HA2 GLY 14 -8.907 3.774 -2.329 116 HA3 GLY 14 HA3 GLY 14 -7.586 4.670 -1.560 117 H THR 15 H THR 15 -6.535 2.002 -3.530 118 HA THR 15 HA THR 15 -5.555 3.881 -5.621 119 HB THR 15 HB THR 15 -4.908 0.945 -5.190 120 HG1 THR 15 HG1 THR 15 -4.138 2.035 -3.527 121 HG21 THR 15 HG21 THR 15 -4.398 1.594 -7.494 122 HG22 THR 15 HG22 THR 15 -3.566 3.062 -6.925 123 HG23 THR 15 HG23 THR 15 -2.901 1.452 -6.570 124 H VAL 16 H VAL 16 -6.227 3.889 -7.717 125 HA VAL 16 HA VAL 16 -8.649 2.337 -8.403 126 HB VAL 16 HB VAL 16 -7.336 4.783 -9.635 127 HG11 VAL 16 HG11 VAL 16 -9.425 5.007 -10.973 128 HG12 VAL 16 HG12 VAL 16 -8.457 3.615 -11.448 129 HG13 VAL 16 HG13 VAL 16 -9.912 3.378 -10.448 130 HG21 VAL 16 HG21 VAL 16 -9.968 4.452 -8.141 131 HG22 VAL 16 HG22 VAL 16 -8.494 5.170 -7.459 132 HG23 VAL 16 HG23 VAL 16 -9.319 5.964 -8.805 133 H TYR 17 H TYR 17 -8.883 1.079 -10.176 134 HA TYR 17 HA TYR 17 -6.759 0.767 -12.161 135 HB2 TYR 17 HB2 TYR 17 -6.353 -1.544 -11.871 136 HB3 TYR 17 HB3 TYR 17 -6.079 -0.786 -10.331 137 HD1 TYR 17 HD1 TYR 17 -7.787 -1.083 -8.464 138 HD2 TYR 17 HD2 TYR 17 -7.939 -3.315 -12.152 139 HE1 TYR 17 HE1 TYR 17 -9.058 -2.904 -7.324 140 HE2 TYR 17 HE2 TYR 17 -9.279 -5.083 -11.034 141 HH TYR 17 HH TYR 17 -9.882 -5.937 -8.970 142 H TYR 18 H TYR 18 -7.507 -1.148 -13.719 143 HA TYR 18 HA TYR 18 -10.412 -0.796 -14.307 144 HB2 TYR 18 HB2 TYR 18 -8.111 -0.987 -16.277 145 HB3 TYR 18 HB3 TYR 18 -9.830 -0.866 -16.679 146 HD1 TYR 18 HD1 TYR 18 -11.026 1.253 -16.522 147 HD2 TYR 18 HD2 TYR 18 -6.905 0.953 -15.286 148 HE1 TYR 18 HE1 TYR 18 -10.887 3.734 -16.368 149 HE2 TYR 18 HE2 TYR 18 -6.783 3.434 -15.086 150 HH TYR 18 HH TYR 18 -9.566 5.531 -15.894 151 H PHE 19 H PHE 19 -11.567 -2.561 -14.800 152 HA PHE 19 HA PHE 19 -10.238 -5.232 -14.939 153 HB2 PHE 19 HB2 PHE 19 -10.865 -5.068 -12.676 154 HB3 PHE 19 HB3 PHE 19 -12.408 -4.304 -13.044 155 HD1 PHE 19 HD1 PHE 19 -14.358 -5.644 -13.788 156 HD2 PHE 19 HD2 PHE 19 -10.563 -7.511 -12.923 157 HE1 PHE 19 HE1 PHE 19 -15.461 -7.856 -13.693 158 HE2 PHE 19 HE2 PHE 19 -11.670 -9.729 -12.865 159 HZ PHE 19 HZ PHE 19 -14.123 -9.908 -13.252 160 H ASN 20 H ASN 20 -11.145 -6.692 -16.269 161 HA ASN 20 HA ASN 20 -13.321 -5.740 -18.048 162 HB2 ASN 20 HB2 ASN 20 -11.089 -6.290 -19.000 163 HB3 ASN 20 HB3 ASN 20 -11.303 -7.963 -18.468 164 HD21 ASN 20 HD21 ASN 20 -11.321 -6.304 -21.191 165 HD22 ASN 20 HD22 ASN 20 -12.657 -7.075 -22.036 166 H HIS 21 H HIS 21 -15.319 -6.494 -17.636 167 HA HIS 21 HA HIS 21 -15.670 -8.760 -15.816 168 HB2 HIS 21 HB2 HIS 21 -17.789 -8.028 -15.478 169 HB3 HIS 21 HB3 HIS 21 -16.989 -6.515 -15.897 170 HD2 HIS 21 HD2 HIS 21 -17.682 -5.382 -18.284 171 HE1 HIS 21 HE1 HIS 21 -21.003 -7.924 -19.104 172 HE2 HIS 21 HE2 HIS 21 -19.815 -5.774 -19.775 173 H ILE 22 H ILE 22 -15.395 -8.580 -19.175 174 HA ILE 22 HA ILE 22 -17.045 -10.963 -19.774 175 HB ILE 22 HB ILE 22 -15.212 -9.293 -21.535 176 HG12 ILE 22 HG12 ILE 22 -17.103 -7.938 -20.683 177 HG13 ILE 22 HG13 ILE 22 -17.152 -8.182 -22.424 178 HG21 ILE 22 HG21 ILE 22 -17.200 -11.468 -22.263 179 HG22 ILE 22 HG22 ILE 22 -16.480 -10.331 -23.425 180 HG23 ILE 22 HG23 ILE 22 -15.447 -11.452 -22.538 181 HD11 ILE 22 HD11 ILE 22 -18.938 -9.877 -22.159 182 HD12 ILE 22 HD12 ILE 22 -18.864 -9.674 -20.389 183 HD13 ILE 22 HD13 ILE 22 -19.381 -8.330 -21.425 184 H THR 23 H THR 23 -13.611 -10.028 -19.578 185 HA THR 23 HA THR 23 -12.763 -12.845 -20.086 186 HB THR 23 HB THR 23 -10.640 -11.933 -20.734 187 HG1 THR 23 HG1 THR 23 -10.551 -9.565 -20.773 188 HG21 THR 23 HG21 THR 23 -12.505 -11.774 -22.430 189 HG22 THR 23 HG22 THR 23 -12.740 -10.079 -21.940 190 HG23 THR 23 HG23 THR 23 -11.201 -10.596 -22.654 191 H ASN 24 H ASN 24 -13.074 -10.764 -17.431 192 HA ASN 24 HA ASN 24 -12.335 -10.648 -15.356 193 HB2 ASN 24 HB2 ASN 24 -11.334 -13.494 -15.621 194 HB3 ASN 24 HB3 ASN 24 -11.656 -12.610 -14.122 195 HD21 ASN 24 HD21 ASN 24 -12.993 -14.821 -16.267 196 HD22 ASN 24 HD22 ASN 24 -14.681 -14.591 -15.800 197 H ALA 25 H ALA 25 -10.416 -10.061 -17.698 198 HA ALA 25 HA ALA 25 -7.777 -10.128 -16.473 199 HB1 ALA 25 HB1 ALA 25 -8.131 -10.109 -18.925 200 HB2 ALA 25 HB2 ALA 25 -8.857 -8.488 -18.805 201 HB3 ALA 25 HB3 ALA 25 -7.148 -8.734 -18.391 202 H SER 26 H SER 26 -6.540 -8.181 -15.882 203 HA SER 26 HA SER 26 -8.008 -5.724 -15.321 204 HB2 SER 26 HB2 SER 26 -7.333 -5.546 -12.971 205 HB3 SER 26 HB3 SER 26 -8.455 -6.877 -13.238 206 HG SER 26 HG SER 26 -6.732 -8.316 -13.138 207 H GLN 27 H GLN 27 -6.733 -3.897 -15.004 208 HA GLN 27 HA GLN 27 -3.816 -4.080 -14.990 209 HB2 GLN 27 HB2 GLN 27 -3.421 -2.938 -17.053 210 HB3 GLN 27 HB3 GLN 27 -4.390 -4.376 -17.389 211 HG2 GLN 27 HG2 GLN 27 -6.404 -3.005 -17.668 212 HG3 GLN 27 HG3 GLN 27 -5.521 -1.558 -17.203 213 HE21 GLN 27 HE21 GLN 27 -4.931 -0.328 -18.931 214 HE22 GLN 27 HE22 GLN 27 -4.450 -0.983 -20.511 215 H PHE 28 H PHE 28 -2.768 -2.024 -14.551 216 HA PHE 28 HA PHE 28 -4.372 -0.396 -12.766 217 HB2 PHE 28 HB2 PHE 28 -2.199 -1.070 -12.094 218 HB3 PHE 28 HB3 PHE 28 -1.464 -0.494 -13.596 219 HD1 PHE 28 HD1 PHE 28 -0.736 1.731 -13.864 220 HD2 PHE 28 HD2 PHE 28 -3.095 0.648 -10.429 221 HE1 PHE 28 HE1 PHE 28 -0.241 3.948 -12.832 222 HE2 PHE 28 HE2 PHE 28 -2.600 2.857 -9.388 223 HZ PHE 28 HZ PHE 28 -1.172 4.505 -10.586 224 H GLU 29 H GLU 29 -2.828 0.219 -15.932 225 HA GLU 29 HA GLU 29 -3.679 3.050 -15.884 226 HB2 GLU 29 HB2 GLU 29 -2.332 3.343 -17.824 227 HB3 GLU 29 HB3 GLU 29 -1.408 2.462 -16.605 228 HG2 GLU 29 HG2 GLU 29 -1.970 0.316 -17.835 229 HG3 GLU 29 HG3 GLU 29 -2.718 1.292 -19.103 230 H ARG 30 H ARG 30 -4.835 4.038 -17.670 231 HA ARG 30 HA ARG 30 -7.317 2.764 -18.099 232 HB2 ARG 30 HB2 ARG 30 -7.062 5.138 -17.883 233 HB3 ARG 30 HB3 ARG 30 -6.106 5.256 -19.350 234 HG2 ARG 30 HG2 ARG 30 -8.863 4.048 -19.551 235 HG3 ARG 30 HG3 ARG 30 -8.751 5.790 -19.252 236 HD2 ARG 30 HD2 ARG 30 -7.895 6.278 -21.321 237 HD3 ARG 30 HD3 ARG 30 -6.990 4.777 -21.434 238 HE ARG 30 HE ARG 30 -8.768 3.669 -22.376 239 HH11 ARG 30 HH11 ARG 30 -10.062 6.764 -21.318 240 HH12 ARG 30 HH12 ARG 30 -11.502 6.548 -22.289 241 HH21 ARG 30 HH21 ARG 30 -11.813 4.711 -23.439 242 HH22 ARG 30 HH22 ARG 30 -10.510 3.542 -23.602 243 HA PRO 31 HA PRO 31 -6.155 0.229 -21.583 244 HB2 PRO 31 HB2 PRO 31 -8.528 -1.029 -22.118 245 HB3 PRO 31 HB3 PRO 31 -7.541 -1.374 -20.663 246 HG2 PRO 31 HG2 PRO 31 -9.896 0.526 -20.889 247 HG3 PRO 31 HG3 PRO 31 -9.650 -0.770 -19.684 248 HD2 PRO 31 HD2 PRO 31 -9.021 1.799 -19.136 249 HD3 PRO 31 HD3 PRO 31 -7.941 0.478 -18.594 250 H SER 32 H SER 32 -5.867 0.640 -23.692 251 HA SER 32 HA SER 32 -7.452 2.745 -25.006 252 HB2 SER 32 HB2 SER 32 -5.626 2.718 -26.649 253 HB3 SER 32 HB3 SER 32 -5.035 2.913 -24.982 254 HG SER 32 HG SER 32 -3.825 1.370 -26.191 255 H GLY 33 H GLY 33 -7.358 -0.700 -25.122 256 HA2 GLY 33 HA2 GLY 33 -8.686 -2.212 -26.292 257 HA3 GLY 33 HA3 GLY 33 -9.464 -0.869 -27.127 258 H1 4N2 101 H1 4N2 34 -3.586 -0.380 -3.781 259 H2 4N2 101 H2 4N2 34 -3.914 -2.798 -3.570 260 H3 4N2 101 H3 4N2 34 -1.884 -3.649 -4.847 261 H4 4N2 101 H4 4N2 34 -0.145 -1.934 -5.487 262 H5 4N2 101 H5 4N2 34 -1.391 0.115 -4.945 263 H62 4N2 101 H62 4N2 34 0.238 1.396 -3.559 264 H61 4N2 101 H61 4N2 34 1.084 -0.102 -3.168 265 HO2 4N2 101 H2O 4N2 34 -2.631 -4.133 -2.365 266 HO3 4N2 101 H3O 4N2 34 -3.509 -2.579 -6.036 267 HO4 4N2 101 H4O 4N2 34 -0.391 -2.746 -2.749 268 HO6 4N2 101 H6O 4N2 34 2.020 0.997 -4.985 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -15.710 4.653 -23.811 2 H2 LYS 1 H2 LYS 1 -14.794 5.018 -25.119 3 H3 LYS 1 H3 LYS 1 -15.660 6.184 -24.376 4 HA LYS 1 HA LYS 1 -13.357 6.425 -23.843 5 HB2 LYS 1 HB2 LYS 1 -15.029 7.141 -22.187 6 HB3 LYS 1 HB3 LYS 1 -15.020 5.543 -21.450 7 HG2 LYS 1 HG2 LYS 1 -13.708 7.100 -20.138 8 HG3 LYS 1 HG3 LYS 1 -12.654 5.849 -20.785 9 HD2 LYS 1 HD2 LYS 1 -11.886 7.406 -22.570 10 HD3 LYS 1 HD3 LYS 1 -12.926 8.676 -21.914 11 HE2 LYS 1 HE2 LYS 1 -10.702 7.265 -20.362 12 HE3 LYS 1 HE3 LYS 1 -10.477 8.775 -21.252 13 HZ1 LYS 1 HZ1 LYS 1 -12.152 9.807 -19.823 14 HZ2 LYS 1 HZ2 LYS 1 -12.346 8.423 -18.973 15 HZ3 LYS 1 HZ3 LYS 1 -10.924 9.220 -18.927 16 H LEU 2 H LEU 2 -14.364 3.413 -22.083 17 HA LEU 2 HA LEU 2 -11.680 2.263 -22.641 18 HB2 LEU 2 HB2 LEU 2 -13.898 1.182 -20.862 19 HB3 LEU 2 HB3 LEU 2 -12.288 0.543 -21.055 20 HG LEU 2 HG LEU 2 -12.087 1.503 -19.053 21 HD11 LEU 2 HD11 LEU 2 -10.355 2.469 -20.619 22 HD12 LEU 2 HD12 LEU 2 -11.315 3.953 -20.667 23 HD13 LEU 2 HD13 LEU 2 -10.648 3.375 -19.126 24 HD21 LEU 2 HD21 LEU 2 -13.714 3.928 -19.873 25 HD22 LEU 2 HD22 LEU 2 -14.280 2.548 -18.911 26 HD23 LEU 2 HD23 LEU 2 -13.011 3.608 -18.277 27 HA PRO 3 HA PRO 3 -13.355 -0.532 -25.716 28 HB2 PRO 3 HB2 PRO 3 -11.916 -2.881 -24.630 29 HB3 PRO 3 HB3 PRO 3 -11.706 -2.048 -26.193 30 HG2 PRO 3 HG2 PRO 3 -9.863 -1.882 -24.142 31 HG3 PRO 3 HG3 PRO 3 -10.144 -0.566 -25.315 32 HD2 PRO 3 HD2 PRO 3 -11.228 -0.855 -22.518 33 HD3 PRO 3 HD3 PRO 3 -10.566 0.595 -23.335 34 HA PRO 4 HA PRO 4 -16.775 -2.948 -24.245 35 HB2 PRO 4 HB2 PRO 4 -15.693 -5.351 -25.737 36 HB3 PRO 4 HB3 PRO 4 -17.375 -4.724 -25.674 37 HG2 PRO 4 HG2 PRO 4 -15.837 -4.125 -27.803 38 HG3 PRO 4 HG3 PRO 4 -16.784 -2.819 -27.007 39 HD2 PRO 4 HD2 PRO 4 -13.845 -3.494 -26.644 40 HD3 PRO 4 HD3 PRO 4 -14.609 -1.897 -26.929 41 H GLY 5 H GLY 5 -17.343 -4.042 -22.478 42 HA2 GLY 5 HA2 GLY 5 -17.324 -5.520 -20.695 43 HA3 GLY 5 HA3 GLY 5 -15.817 -6.232 -21.299 44 H TRP 6 H TRP 6 -14.830 -3.151 -21.158 45 HA TRP 6 HA TRP 6 -13.595 -3.530 -18.525 46 HB2 TRP 6 HB2 TRP 6 -13.232 -1.482 -20.707 47 HB3 TRP 6 HB3 TRP 6 -12.352 -1.458 -19.174 48 HD1 TRP 6 HD1 TRP 6 -12.463 -3.216 -22.505 49 HE1 TRP 6 HE1 TRP 6 -10.329 -4.595 -22.826 50 HE3 TRP 6 HE3 TRP 6 -10.639 -2.943 -17.740 51 HZ2 TRP 6 HZ2 TRP 6 -8.286 -5.731 -21.136 52 HZ3 TRP 6 HZ3 TRP 6 -8.548 -4.138 -17.130 53 HH2 TRP 6 HH2 TRP 6 -7.350 -5.518 -18.804 54 H GLU 7 H GLU 7 -13.785 -2.350 -16.728 55 HA GLU 7 HA GLU 7 -15.229 0.222 -16.689 56 HB2 GLU 7 HB2 GLU 7 -16.920 -1.589 -16.286 57 HB3 GLU 7 HB3 GLU 7 -16.003 -2.098 -14.863 58 HG2 GLU 7 HG2 GLU 7 -16.472 0.001 -13.742 59 HG3 GLU 7 HG3 GLU 7 -17.083 0.723 -15.233 60 H LYS 8 H LYS 8 -14.744 1.496 -14.766 61 HA LYS 8 HA LYS 8 -12.094 1.062 -13.634 62 HB2 LYS 8 HB2 LYS 8 -14.238 3.167 -13.224 63 HB3 LYS 8 HB3 LYS 8 -12.808 3.071 -12.180 64 HG2 LYS 8 HG2 LYS 8 -11.305 3.247 -14.081 65 HG3 LYS 8 HG3 LYS 8 -12.675 3.209 -15.208 66 HD2 LYS 8 HD2 LYS 8 -11.950 5.481 -15.047 67 HD3 LYS 8 HD3 LYS 8 -13.488 5.374 -14.173 68 HE2 LYS 8 HE2 LYS 8 -12.227 5.207 -12.022 69 HE3 LYS 8 HE3 LYS 8 -10.702 5.288 -12.919 70 HZ1 LYS 8 HZ1 LYS 8 -12.754 7.437 -12.851 71 HZ2 LYS 8 HZ2 LYS 8 -11.339 7.463 -12.038 72 HZ3 LYS 8 HZ3 LYS 8 -11.340 7.513 -13.670 73 H ARG 9 H ARG 9 -11.547 0.585 -11.662 74 HA ARG 9 HA ARG 9 -13.454 -0.370 -9.586 75 HB2 ARG 9 HB2 ARG 9 -12.826 -2.193 -11.321 76 HB3 ARG 9 HB3 ARG 9 -11.216 -2.175 -10.605 77 HG2 ARG 9 HG2 ARG 9 -12.100 -2.958 -8.483 78 HG3 ARG 9 HG3 ARG 9 -13.775 -2.631 -8.995 79 HD2 ARG 9 HD2 ARG 9 -13.656 -4.382 -10.687 80 HD3 ARG 9 HD3 ARG 9 -11.941 -4.676 -10.308 81 HE ARG 9 HE ARG 9 -13.501 -4.953 -7.924 82 HH11 ARG 9 HH11 ARG 9 -13.807 -8.369 -8.013 83 HH12 ARG 9 HH12 ARG 9 -13.915 -6.932 -7.034 84 HH21 ARG 9 HH21 ARG 9 -13.274 -8.269 -10.129 85 HH22 ARG 9 HH22 ARG 9 -12.959 -6.744 -10.903 86 H MET 10 H MET 10 -12.084 -1.109 -7.552 87 HA MET 10 HA MET 10 -9.648 0.515 -7.185 88 HB2 MET 10 HB2 MET 10 -11.623 2.081 -6.981 89 HB3 MET 10 HB3 MET 10 -12.193 1.094 -5.621 90 HG2 MET 10 HG2 MET 10 -9.906 1.594 -4.536 91 HG3 MET 10 HG3 MET 10 -9.688 2.803 -5.793 92 HE1 MET 10 HE1 MET 10 -12.499 5.418 -4.929 93 HE2 MET 10 HE2 MET 10 -11.031 5.121 -5.879 94 HE3 MET 10 HE3 MET 10 -12.498 4.155 -6.175 95 H PHE 11 H PHE 11 -8.370 -0.170 -5.588 96 HA PHE 11 HA PHE 11 -8.940 -2.643 -4.125 97 HB2 PHE 11 HB2 PHE 11 -6.588 -0.710 -4.124 98 HB3 PHE 11 HB3 PHE 11 -6.639 -2.195 -3.190 99 HD1 PHE 11 HD1 PHE 11 -6.002 -0.761 -6.484 100 HD2 PHE 11 HD2 PHE 11 -6.743 -4.430 -4.342 101 HE1 PHE 11 HE1 PHE 11 -5.072 -2.058 -8.382 102 HE2 PHE 11 HE2 PHE 11 -5.802 -5.724 -6.241 103 HZ PHE 11 HZ PHE 11 -4.968 -4.540 -8.265 104 H ALA 12 H ALA 12 -8.813 -2.854 -1.804 105 HA ALA 12 HA ALA 12 -10.411 -1.040 -0.334 106 HB1 ALA 12 HB1 ALA 12 -9.818 -2.480 1.579 107 HB2 ALA 12 HB2 ALA 12 -10.180 -3.450 0.140 108 HB3 ALA 12 HB3 ALA 12 -8.490 -3.200 0.644 109 H ASN 13 H ASN 13 -7.010 -0.846 -0.956 110 HA ASN 13 HA ASN 13 -6.401 0.971 1.264 111 HB2 ASN 13 HB2 ASN 13 -4.164 1.019 0.317 112 HB3 ASN 13 HB3 ASN 13 -4.752 -0.644 0.453 113 HD21 ASN 13 HD21 ASN 13 -3.256 -1.398 -1.098 114 H GLY 14 H GLY 14 -8.122 1.476 -1.567 115 HA2 GLY 14 HA2 GLY 14 -9.026 3.521 -2.237 116 HA3 GLY 14 HA3 GLY 14 -7.720 4.406 -1.433 117 H THR 15 H THR 15 -6.566 1.865 -3.495 118 HA THR 15 HA THR 15 -5.658 3.862 -5.503 119 HB THR 15 HB THR 15 -4.895 0.937 -5.217 120 HG1 THR 15 HG1 THR 15 -4.199 1.957 -3.476 121 HG21 THR 15 HG21 THR 15 -2.893 1.608 -6.530 122 HG22 THR 15 HG22 THR 15 -4.381 1.753 -7.469 123 HG23 THR 15 HG23 THR 15 -3.613 3.211 -6.795 124 H VAL 16 H VAL 16 -6.355 3.951 -7.586 125 HA VAL 16 HA VAL 16 -8.705 2.312 -8.319 126 HB VAL 16 HB VAL 16 -7.565 4.914 -9.369 127 HG11 VAL 16 HG11 VAL 16 -8.569 3.803 -11.300 128 HG12 VAL 16 HG12 VAL 16 -10.035 3.430 -10.357 129 HG13 VAL 16 HG13 VAL 16 -9.611 5.112 -10.744 130 HG21 VAL 16 HG21 VAL 16 -8.774 5.028 -7.197 131 HG22 VAL 16 HG22 VAL 16 -9.670 5.846 -8.481 132 HG23 VAL 16 HG23 VAL 16 -10.174 4.229 -7.946 133 H TYR 17 H TYR 17 -8.920 1.135 -10.144 134 HA TYR 17 HA TYR 17 -6.749 0.860 -12.100 135 HB2 TYR 17 HB2 TYR 17 -6.375 -1.455 -11.779 136 HB3 TYR 17 HB3 TYR 17 -6.151 -0.687 -10.240 137 HD1 TYR 17 HD1 TYR 17 -7.927 -0.951 -8.437 138 HD2 TYR 17 HD2 TYR 17 -7.938 -3.248 -12.093 139 HE1 TYR 17 HE1 TYR 17 -9.221 -2.767 -7.312 140 HE2 TYR 17 HE2 TYR 17 -9.298 -5.004 -10.990 141 HH TYR 17 HH TYR 17 -10.022 -5.811 -8.955 142 H TYR 18 H TYR 18 -7.512 -1.066 -13.665 143 HA TYR 18 HA TYR 18 -10.393 -0.653 -14.356 144 HB2 TYR 18 HB2 TYR 18 -8.014 -0.962 -16.223 145 HB3 TYR 18 HB3 TYR 18 -9.712 -0.833 -16.706 146 HD1 TYR 18 HD1 TYR 18 -6.825 1.005 -15.247 147 HD2 TYR 18 HD2 TYR 18 -10.855 1.311 -16.770 148 HE1 TYR 18 HE1 TYR 18 -6.664 3.485 -15.171 149 HE2 TYR 18 HE2 TYR 18 -10.698 3.783 -16.668 150 HH TYR 18 HH TYR 18 -7.753 5.461 -15.529 151 H PHE 19 H PHE 19 -11.574 -2.434 -14.793 152 HA PHE 19 HA PHE 19 -10.236 -5.098 -14.970 153 HB2 PHE 19 HB2 PHE 19 -10.811 -4.882 -12.682 154 HB3 PHE 19 HB3 PHE 19 -12.405 -4.226 -13.043 155 HD1 PHE 19 HD1 PHE 19 -10.311 -7.303 -13.091 156 HD2 PHE 19 HD2 PHE 19 -14.302 -5.709 -13.552 157 HE1 PHE 19 HE1 PHE 19 -11.247 -9.596 -12.968 158 HE2 PHE 19 HE2 PHE 19 -15.226 -7.996 -13.389 159 HZ PHE 19 HZ PHE 19 -13.707 -9.948 -13.120 160 H ASN 20 H ASN 20 -11.145 -6.551 -16.286 161 HA ASN 20 HA ASN 20 -13.414 -5.664 -17.985 162 HB2 ASN 20 HB2 ASN 20 -11.182 -6.204 -18.986 163 HB3 ASN 20 HB3 ASN 20 -11.396 -7.877 -18.460 164 HD21 ASN 20 HD21 ASN 20 -11.452 -6.211 -21.159 165 HD22 ASN 20 HD22 ASN 20 -12.819 -6.932 -21.989 166 H HIS 21 H HIS 21 -15.374 -6.445 -17.467 167 HA HIS 21 HA HIS 21 -15.642 -8.658 -15.599 168 HB2 HIS 21 HB2 HIS 21 -17.785 -7.987 -15.310 169 HB3 HIS 21 HB3 HIS 21 -17.065 -6.473 -15.848 170 HD2 HIS 21 HD2 HIS 21 -17.985 -5.430 -18.140 171 HE1 HIS 21 HE1 HIS 21 -20.870 -8.428 -19.062 172 HE2 HIS 21 HE2 HIS 21 -20.008 -6.113 -19.677 173 H ILE 22 H ILE 22 -15.462 -8.562 -19.007 174 HA ILE 22 HA ILE 22 -17.026 -11.028 -19.468 175 HB ILE 22 HB ILE 22 -15.447 -9.246 -21.373 176 HG12 ILE 22 HG12 ILE 22 -18.444 -9.406 -20.766 177 HG13 ILE 22 HG13 ILE 22 -17.358 -8.075 -20.329 178 HG21 ILE 22 HG21 ILE 22 -17.425 -11.490 -21.980 179 HG22 ILE 22 HG22 ILE 22 -16.653 -10.427 -23.178 180 HG23 ILE 22 HG23 ILE 22 -15.669 -11.547 -22.258 181 HD11 ILE 22 HD11 ILE 22 -18.289 -8.817 -23.111 182 HD12 ILE 22 HD12 ILE 22 -18.580 -7.330 -22.190 183 HD13 ILE 22 HD13 ILE 22 -16.948 -7.687 -22.792 184 H THR 23 H THR 23 -13.631 -9.944 -19.536 185 HA THR 23 HA THR 23 -12.704 -12.725 -20.093 186 HB THR 23 HB THR 23 -10.660 -11.728 -20.871 187 HG1 THR 23 HG1 THR 23 -10.736 -9.334 -20.928 188 HG21 THR 23 HG21 THR 23 -12.916 -9.977 -21.948 189 HG22 THR 23 HG22 THR 23 -11.400 -10.424 -22.755 190 HG23 THR 23 HG23 THR 23 -12.630 -11.662 -22.449 191 H ASN 24 H ASN 24 -12.952 -10.670 -17.419 192 HA ASN 24 HA ASN 24 -12.085 -10.513 -15.395 193 HB2 ASN 24 HB2 ASN 24 -10.978 -13.312 -15.728 194 HB3 ASN 24 HB3 ASN 24 -11.251 -12.444 -14.210 195 HD21 ASN 24 HD21 ASN 24 -12.627 -14.672 -16.344 196 HD22 ASN 24 HD22 ASN 24 -14.286 -14.538 -15.750 197 H ALA 25 H ALA 25 -10.344 -9.849 -17.853 198 HA ALA 25 HA ALA 25 -7.630 -9.828 -16.825 199 HB1 ALA 25 HB1 ALA 25 -8.938 -8.196 -19.042 200 HB2 ALA 25 HB2 ALA 25 -7.195 -8.385 -18.761 201 HB3 ALA 25 HB3 ALA 25 -8.167 -9.788 -19.241 202 H SER 26 H SER 26 -6.413 -7.898 -16.254 203 HA SER 26 HA SER 26 -7.902 -5.505 -15.431 204 HB2 SER 26 HB2 SER 26 -6.922 -5.487 -13.153 205 HB3 SER 26 HB3 SER 26 -8.093 -6.775 -13.410 206 HG SER 26 HG SER 26 -5.251 -7.012 -13.403 207 H GLN 27 H GLN 27 -6.699 -3.670 -15.133 208 HA GLN 27 HA GLN 27 -3.749 -3.686 -15.462 209 HB2 GLN 27 HB2 GLN 27 -5.748 -2.343 -17.323 210 HB3 GLN 27 HB3 GLN 27 -4.178 -1.601 -16.943 211 HG2 GLN 27 HG2 GLN 27 -2.985 -3.528 -17.766 212 HG3 GLN 27 HG3 GLN 27 -4.518 -4.297 -18.249 213 HE21 GLN 27 HE21 GLN 27 -4.046 -0.846 -20.412 214 HE22 GLN 27 HE22 GLN 27 -4.416 -0.797 -18.690 215 H PHE 28 H PHE 28 -2.749 -1.820 -14.560 216 HA PHE 28 HA PHE 28 -4.359 -0.225 -12.660 217 HB2 PHE 28 HB2 PHE 28 -2.244 -0.969 -11.871 218 HB3 PHE 28 HB3 PHE 28 -1.419 -0.456 -13.352 219 HD1 PHE 28 HD1 PHE 28 -3.124 0.813 -10.272 220 HD2 PHE 28 HD2 PHE 28 -0.648 1.766 -13.669 221 HE1 PHE 28 HE1 PHE 28 -2.629 3.044 -9.287 222 HE2 PHE 28 HE2 PHE 28 -0.174 4.005 -12.703 223 HZ PHE 28 HZ PHE 28 -1.156 4.640 -10.493 224 H GLU 29 H GLU 29 -2.731 0.153 -15.781 225 HA GLU 29 HA GLU 29 -3.596 2.997 -16.031 226 HB2 GLU 29 HB2 GLU 29 -2.152 3.105 -17.943 227 HB3 GLU 29 HB3 GLU 29 -1.256 2.559 -16.533 228 HG2 GLU 29 HG2 GLU 29 -2.326 0.621 -18.640 229 HG3 GLU 29 HG3 GLU 29 -0.797 1.455 -18.823 230 H ARG 30 H ARG 30 -4.621 3.630 -18.206 231 HA ARG 30 HA ARG 30 -6.965 2.054 -18.228 232 HB2 ARG 30 HB2 ARG 30 -7.983 3.591 -19.767 233 HB3 ARG 30 HB3 ARG 30 -7.223 4.347 -18.394 234 HG2 ARG 30 HG2 ARG 30 -6.946 5.726 -20.266 235 HG3 ARG 30 HG3 ARG 30 -5.352 5.128 -19.789 236 HD2 ARG 30 HD2 ARG 30 -5.751 5.313 -22.271 237 HD3 ARG 30 HD3 ARG 30 -5.194 3.747 -21.722 238 HE ARG 30 HE ARG 30 -7.114 2.792 -22.555 239 HH11 ARG 30 HH11 ARG 30 -7.892 6.213 -22.288 240 HH12 ARG 30 HH12 ARG 30 -9.447 5.959 -23.049 241 HH21 ARG 30 HH21 ARG 30 -9.029 2.571 -23.392 242 HH22 ARG 30 HH22 ARG 30 -10.116 3.947 -23.608 243 HA PRO 31 HA PRO 31 -6.296 -1.072 -21.177 244 HB2 PRO 31 HB2 PRO 31 -8.859 -1.783 -21.844 245 HB3 PRO 31 HB3 PRO 31 -8.104 -2.120 -20.252 246 HG2 PRO 31 HG2 PRO 31 -9.887 0.226 -20.991 247 HG3 PRO 31 HG3 PRO 31 -10.057 -0.880 -19.589 248 HD2 PRO 31 HD2 PRO 31 -8.841 1.494 -19.297 249 HD3 PRO 31 HD3 PRO 31 -8.156 0.029 -18.524 250 H SER 32 H SER 32 -5.833 -1.212 -23.291 251 HA SER 32 HA SER 32 -6.986 0.780 -25.208 252 HB2 SER 32 HB2 SER 32 -4.026 0.238 -24.766 253 HB3 SER 32 HB3 SER 32 -4.744 1.379 -25.928 254 HG SER 32 HG SER 32 -4.777 1.513 -23.090 255 H GLY 33 H GLY 33 -7.124 -2.286 -24.878 256 HA2 GLY 33 HA2 GLY 33 -5.756 -3.530 -27.092 257 HA3 GLY 33 HA3 GLY 33 -7.103 -4.204 -26.177 258 H1 4N2 101 H1 4N2 34 -3.663 -0.483 -3.893 259 H2 4N2 101 H2 4N2 34 -4.006 -2.908 -3.820 260 H3 4N2 101 H3 4N2 34 -1.995 -3.689 -5.159 261 H4 4N2 101 H4 4N2 34 -0.229 -1.975 -5.681 262 H5 4N2 101 H5 4N2 34 -1.430 0.069 -5.023 263 H62 4N2 101 H62 4N2 34 0.196 1.265 -3.625 264 H61 4N2 101 H61 4N2 34 0.952 -0.255 -3.141 265 HO2 4N2 101 H2O 4N2 34 -1.454 -3.302 -2.609 266 HO3 4N2 101 H3O 4N2 34 -3.605 -2.520 -6.266 267 HO4 4N2 101 H4O 4N2 34 0.983 -2.529 -3.882 268 HO6 4N2 101 H6O 4N2 34 2.045 0.793 -4.919 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -16.690 5.922 -23.529 2 H2 LYS 1 H2 LYS 1 -17.952 6.412 -22.618 3 H3 LYS 1 H3 LYS 1 -17.600 4.819 -22.728 4 HA LYS 1 HA LYS 1 -15.901 6.892 -21.499 5 HB2 LYS 1 HB2 LYS 1 -17.984 6.307 -20.200 6 HB3 LYS 1 HB3 LYS 1 -17.378 4.662 -20.040 7 HG2 LYS 1 HG2 LYS 1 -15.261 5.730 -18.968 8 HG3 LYS 1 HG3 LYS 1 -16.146 7.250 -18.997 9 HD2 LYS 1 HD2 LYS 1 -16.412 6.371 -16.811 10 HD3 LYS 1 HD3 LYS 1 -17.967 6.120 -17.618 11 HE2 LYS 1 HE2 LYS 1 -17.307 3.736 -18.071 12 HE3 LYS 1 HE3 LYS 1 -15.763 4.030 -17.259 13 HZ1 LYS 1 HZ1 LYS 1 -18.440 4.145 -15.989 14 HZ2 LYS 1 HZ2 LYS 1 -17.290 3.005 -15.731 15 HZ3 LYS 1 HZ3 LYS 1 -17.046 4.540 -15.227 16 H LEU 2 H LEU 2 -16.148 3.353 -20.990 17 HA LEU 2 HA LEU 2 -13.241 3.039 -21.515 18 HB2 LEU 2 HB2 LEU 2 -15.265 1.830 -19.674 19 HB3 LEU 2 HB3 LEU 2 -14.169 0.690 -20.386 20 HG LEU 2 HG LEU 2 -12.254 1.648 -19.415 21 HD11 LEU 2 HD11 LEU 2 -12.643 4.040 -19.713 22 HD12 LEU 2 HD12 LEU 2 -13.889 4.007 -18.438 23 HD13 LEU 2 HD13 LEU 2 -12.186 3.653 -18.055 24 HD21 LEU 2 HD21 LEU 2 -13.502 0.349 -17.852 25 HD22 LEU 2 HD22 LEU 2 -12.936 1.761 -16.957 26 HD23 LEU 2 HD23 LEU 2 -14.611 1.700 -17.489 27 HA PRO 3 HA PRO 3 -14.020 0.547 -25.081 28 HB2 PRO 3 HB2 PRO 3 -11.941 -1.235 -25.087 29 HB3 PRO 3 HB3 PRO 3 -11.740 0.522 -25.374 30 HG2 PRO 3 HG2 PRO 3 -11.261 -1.030 -22.837 31 HG3 PRO 3 HG3 PRO 3 -10.263 0.251 -23.557 32 HD2 PRO 3 HD2 PRO 3 -12.114 0.598 -21.511 33 HD3 PRO 3 HD3 PRO 3 -11.609 1.923 -22.593 34 HA PRO 4 HA PRO 4 -16.644 -2.726 -24.377 35 HB2 PRO 4 HB2 PRO 4 -15.022 -4.590 -26.131 36 HB3 PRO 4 HB3 PRO 4 -16.800 -4.329 -26.102 37 HG2 PRO 4 HG2 PRO 4 -15.323 -3.051 -27.956 38 HG3 PRO 4 HG3 PRO 4 -16.554 -2.125 -27.029 39 HD2 PRO 4 HD2 PRO 4 -13.561 -2.256 -26.571 40 HD3 PRO 4 HD3 PRO 4 -14.642 -0.828 -26.598 41 H GLY 5 H GLY 5 -17.086 -3.931 -22.705 42 HA2 GLY 5 HA2 GLY 5 -17.019 -5.637 -21.139 43 HA3 GLY 5 HA3 GLY 5 -15.445 -6.161 -21.762 44 H TRP 6 H TRP 6 -14.725 -3.032 -21.203 45 HA TRP 6 HA TRP 6 -13.584 -3.669 -18.565 46 HB2 TRP 6 HB2 TRP 6 -13.134 -1.379 -20.480 47 HB3 TRP 6 HB3 TRP 6 -12.335 -1.541 -18.915 48 HD1 TRP 6 HD1 TRP 6 -12.421 -3.045 -22.406 49 HE1 TRP 6 HE1 TRP 6 -10.302 -4.412 -22.835 50 HE3 TRP 6 HE3 TRP 6 -10.484 -3.038 -17.660 51 HZ2 TRP 6 HZ2 TRP 6 -8.205 -5.609 -21.271 52 HZ3 TRP 6 HZ3 TRP 6 -8.400 -4.322 -17.166 53 HH2 TRP 6 HH2 TRP 6 -7.276 -5.622 -18.946 54 H GLU 7 H GLU 7 -13.876 -2.630 -16.681 55 HA GLU 7 HA GLU 7 -15.497 -0.174 -16.518 56 HB2 GLU 7 HB2 GLU 7 -17.063 -2.054 -16.157 57 HB3 GLU 7 HB3 GLU 7 -16.052 -2.649 -14.847 58 HG2 GLU 7 HG2 GLU 7 -18.037 -1.483 -14.022 59 HG3 GLU 7 HG3 GLU 7 -16.570 -0.684 -13.496 60 H LYS 8 H LYS 8 -15.070 1.072 -14.592 61 HA LYS 8 HA LYS 8 -12.346 0.901 -13.582 62 HB2 LYS 8 HB2 LYS 8 -14.667 2.782 -13.095 63 HB3 LYS 8 HB3 LYS 8 -13.256 2.785 -12.025 64 HG2 LYS 8 HG2 LYS 8 -11.744 3.109 -13.951 65 HG3 LYS 8 HG3 LYS 8 -13.143 3.117 -15.041 66 HD2 LYS 8 HD2 LYS 8 -12.471 5.389 -14.681 67 HD3 LYS 8 HD3 LYS 8 -14.003 5.151 -13.825 68 HE2 LYS 8 HE2 LYS 8 -12.756 4.869 -11.684 69 HE3 LYS 8 HE3 LYS 8 -11.224 5.044 -12.551 70 HZ1 LYS 8 HZ1 LYS 8 -13.318 7.143 -12.355 71 HZ2 LYS 8 HZ2 LYS 8 -11.912 7.134 -11.529 72 HZ3 LYS 8 HZ3 LYS 8 -11.899 7.305 -13.151 73 H ARG 9 H ARG 9 -11.630 0.512 -11.645 74 HA ARG 9 HA ARG 9 -13.322 -0.619 -9.486 75 HB2 ARG 9 HB2 ARG 9 -12.415 -2.361 -11.326 76 HB3 ARG 9 HB3 ARG 9 -10.909 -2.172 -10.468 77 HG2 ARG 9 HG2 ARG 9 -12.188 -4.145 -9.767 78 HG3 ARG 9 HG3 ARG 9 -11.941 -3.036 -8.406 79 HD2 ARG 9 HD2 ARG 9 -14.244 -4.066 -8.526 80 HD3 ARG 9 HD3 ARG 9 -14.210 -2.304 -8.437 81 HE ARG 9 HE ARG 9 -14.968 -2.111 -10.651 82 HH11 ARG 9 HH11 ARG 9 -14.515 -5.529 -9.964 83 HH12 ARG 9 HH12 ARG 9 -15.430 -6.008 -11.367 84 HH21 ARG 9 HH21 ARG 9 -16.152 -2.790 -12.344 85 HH22 ARG 9 HH22 ARG 9 -16.374 -4.492 -12.656 86 H MET 10 H MET 10 -12.050 -0.985 -7.427 87 HA MET 10 HA MET 10 -9.412 0.213 -7.308 88 HB2 MET 10 HB2 MET 10 -9.832 2.089 -5.924 89 HB3 MET 10 HB3 MET 10 -10.903 2.196 -7.329 90 HG2 MET 10 HG2 MET 10 -12.722 1.177 -5.816 91 HG3 MET 10 HG3 MET 10 -11.594 1.492 -4.488 92 HE1 MET 10 HE1 MET 10 -12.548 3.690 -7.747 93 HE2 MET 10 HE2 MET 10 -14.044 2.957 -7.123 94 HE3 MET 10 HE3 MET 10 -13.790 4.711 -7.000 95 H PHE 11 H PHE 11 -8.211 -0.314 -5.600 96 HA PHE 11 HA PHE 11 -9.040 -2.469 -3.810 97 HB2 PHE 11 HB2 PHE 11 -6.553 -0.727 -3.986 98 HB3 PHE 11 HB3 PHE 11 -6.752 -2.021 -2.817 99 HD1 PHE 11 HD1 PHE 11 -6.063 -1.224 -6.344 100 HD2 PHE 11 HD2 PHE 11 -6.790 -4.393 -3.509 101 HE1 PHE 11 HE1 PHE 11 -5.197 -2.882 -7.974 102 HE2 PHE 11 HE2 PHE 11 -5.901 -6.047 -5.137 103 HZ PHE 11 HZ PHE 11 -5.114 -5.295 -7.375 104 H ALA 12 H ALA 12 -9.139 -2.347 -1.512 105 HA ALA 12 HA ALA 12 -10.595 -0.167 -0.434 106 HB1 ALA 12 HB1 ALA 12 -10.369 -1.413 1.681 107 HB2 ALA 12 HB2 ALA 12 -10.746 -2.506 0.338 108 HB3 ALA 12 HB3 ALA 12 -9.086 -2.414 0.972 109 H ASN 13 H ASN 13 -7.174 -0.480 -0.773 110 HA ASN 13 HA ASN 13 -6.440 1.469 1.277 111 HB2 ASN 13 HB2 ASN 13 -4.186 1.206 0.378 112 HB3 ASN 13 HB3 ASN 13 -4.949 -0.365 0.659 113 HD21 ASN 13 HD21 ASN 13 -3.424 -1.346 -0.766 114 H GLY 14 H GLY 14 -7.995 1.889 -1.675 115 HA2 GLY 14 HA2 GLY 14 -8.663 3.960 -2.539 116 HA3 GLY 14 HA3 GLY 14 -7.283 4.766 -1.776 117 H THR 15 H THR 15 -6.399 1.911 -3.560 118 HA THR 15 HA THR 15 -5.246 3.595 -5.725 119 HB THR 15 HB THR 15 -4.824 0.632 -5.221 120 HG1 THR 15 HG1 THR 15 -4.048 1.689 -3.516 121 HG21 THR 15 HG21 THR 15 -3.274 2.679 -6.872 122 HG22 THR 15 HG22 THR 15 -2.772 1.004 -6.577 123 HG23 THR 15 HG23 THR 15 -4.230 1.323 -7.514 124 H VAL 16 H VAL 16 -6.160 3.767 -7.675 125 HA VAL 16 HA VAL 16 -8.535 2.139 -8.336 126 HB VAL 16 HB VAL 16 -7.439 4.749 -9.414 127 HG11 VAL 16 HG11 VAL 16 -9.563 4.976 -10.654 128 HG12 VAL 16 HG12 VAL 16 -8.586 3.647 -11.272 129 HG13 VAL 16 HG13 VAL 16 -9.990 3.303 -10.233 130 HG21 VAL 16 HG21 VAL 16 -9.956 4.104 -7.809 131 HG22 VAL 16 HG22 VAL 16 -8.499 4.871 -7.161 132 HG23 VAL 16 HG23 VAL 16 -9.465 5.706 -8.384 133 H TYR 17 H TYR 17 -8.829 1.002 -10.169 134 HA TYR 17 HA TYR 17 -6.742 0.698 -12.204 135 HB2 TYR 17 HB2 TYR 17 -6.424 -1.647 -11.913 136 HB3 TYR 17 HB3 TYR 17 -6.056 -0.862 -10.407 137 HD1 TYR 17 HD1 TYR 17 -7.597 -1.116 -8.436 138 HD2 TYR 17 HD2 TYR 17 -8.181 -3.321 -12.099 139 HE1 TYR 17 HE1 TYR 17 -8.879 -2.864 -7.197 140 HE2 TYR 17 HE2 TYR 17 -9.500 -5.023 -10.879 141 HH TYR 17 HH TYR 17 -10.100 -5.803 -8.801 142 H TYR 18 H TYR 18 -7.576 -1.251 -13.708 143 HA TYR 18 HA TYR 18 -10.477 -0.821 -14.296 144 HB2 TYR 18 HB2 TYR 18 -8.181 -1.073 -16.273 145 HB3 TYR 18 HB3 TYR 18 -9.894 -0.839 -16.656 146 HD1 TYR 18 HD1 TYR 18 -10.958 1.343 -16.398 147 HD2 TYR 18 HD2 TYR 18 -6.819 0.784 -15.349 148 HE1 TYR 18 HE1 TYR 18 -10.673 3.807 -16.223 149 HE2 TYR 18 HE2 TYR 18 -6.527 3.248 -15.181 150 HH TYR 18 HH TYR 18 -7.547 5.287 -15.318 151 H PHE 19 H PHE 19 -11.658 -2.609 -14.734 152 HA PHE 19 HA PHE 19 -10.296 -5.271 -14.905 153 HB2 PHE 19 HB2 PHE 19 -10.984 -5.091 -12.659 154 HB3 PHE 19 HB3 PHE 19 -12.528 -4.356 -13.075 155 HD1 PHE 19 HD1 PHE 19 -14.429 -5.750 -13.917 156 HD2 PHE 19 HD2 PHE 19 -10.643 -7.516 -12.823 157 HE1 PHE 19 HE1 PHE 19 -15.499 -7.977 -13.784 158 HE2 PHE 19 HE2 PHE 19 -11.712 -9.750 -12.753 159 HZ PHE 19 HZ PHE 19 -14.144 -9.989 -13.226 160 H ASN 20 H ASN 20 -11.139 -6.727 -16.290 161 HA ASN 20 HA ASN 20 -13.328 -5.802 -18.076 162 HB2 ASN 20 HB2 ASN 20 -11.084 -6.254 -19.045 163 HB3 ASN 20 HB3 ASN 20 -11.238 -7.944 -18.547 164 HD21 ASN 20 HD21 ASN 20 -11.328 -6.219 -21.235 165 HD22 ASN 20 HD22 ASN 20 -12.642 -7.015 -22.092 166 H HIS 21 H HIS 21 -15.283 -6.646 -17.760 167 HA HIS 21 HA HIS 21 -15.634 -8.873 -15.906 168 HB2 HIS 21 HB2 HIS 21 -17.788 -8.192 -15.702 169 HB3 HIS 21 HB3 HIS 21 -17.030 -6.674 -16.168 170 HD2 HIS 21 HD2 HIS 21 -17.804 -5.580 -18.496 171 HE1 HIS 21 HE1 HIS 21 -20.696 -8.509 -19.604 172 HE2 HIS 21 HE2 HIS 21 -19.760 -6.203 -20.143 173 H ILE 22 H ILE 22 -15.330 -8.708 -19.303 174 HA ILE 22 HA ILE 22 -16.884 -11.153 -19.877 175 HB ILE 22 HB ILE 22 -15.183 -9.382 -21.680 176 HG12 ILE 22 HG12 ILE 22 -18.206 -9.445 -21.205 177 HG13 ILE 22 HG13 ILE 22 -17.095 -8.153 -20.713 178 HG21 ILE 22 HG21 ILE 22 -17.206 -11.551 -22.402 179 HG22 ILE 22 HG22 ILE 22 -16.340 -10.506 -23.551 180 HG23 ILE 22 HG23 ILE 22 -15.442 -11.669 -22.597 181 HD11 ILE 22 HD11 ILE 22 -17.920 -8.848 -23.540 182 HD12 ILE 22 HD12 ILE 22 -18.222 -7.365 -22.619 183 HD13 ILE 22 HD13 ILE 22 -16.571 -7.753 -23.144 184 H THR 23 H THR 23 -13.487 -10.091 -19.768 185 HA THR 23 HA THR 23 -12.531 -12.857 -20.322 186 HB THR 23 HB THR 23 -10.418 -11.840 -20.873 187 HG1 THR 23 HG1 THR 23 -10.516 -9.438 -20.863 188 HG21 THR 23 HG21 THR 23 -12.569 -10.045 -22.085 189 HG22 THR 23 HG22 THR 23 -10.989 -10.469 -22.769 190 HG23 THR 23 HG23 THR 23 -12.244 -11.712 -22.618 191 H ASN 24 H ASN 24 -13.019 -10.917 -17.603 192 HA ASN 24 HA ASN 24 -12.350 -10.866 -15.494 193 HB2 ASN 24 HB2 ASN 24 -12.794 -13.440 -15.908 194 HB3 ASN 24 HB3 ASN 24 -11.055 -13.576 -15.598 195 HD21 ASN 24 HD21 ASN 24 -10.416 -12.197 -13.502 196 HD22 ASN 24 HD22 ASN 24 -11.486 -12.513 -12.121 197 H ALA 25 H ALA 25 -10.423 -10.046 -17.710 198 HA ALA 25 HA ALA 25 -7.788 -10.169 -16.444 199 HB1 ALA 25 HB1 ALA 25 -8.810 -8.503 -18.782 200 HB2 ALA 25 HB2 ALA 25 -7.113 -8.756 -18.327 201 HB3 ALA 25 HB3 ALA 25 -8.084 -10.123 -18.906 202 H SER 26 H SER 26 -6.576 -8.201 -15.847 203 HA SER 26 HA SER 26 -8.073 -5.760 -15.327 204 HB2 SER 26 HB2 SER 26 -7.434 -5.535 -12.971 205 HB3 SER 26 HB3 SER 26 -8.533 -6.890 -13.228 206 HG SER 26 HG SER 26 -6.784 -8.298 -13.088 207 H GLN 27 H GLN 27 -6.806 -3.919 -15.025 208 HA GLN 27 HA GLN 27 -3.883 -4.120 -15.026 209 HB2 GLN 27 HB2 GLN 27 -3.498 -2.970 -17.074 210 HB3 GLN 27 HB3 GLN 27 -4.512 -4.371 -17.423 211 HG2 GLN 27 HG2 GLN 27 -6.494 -2.926 -17.629 212 HG3 GLN 27 HG3 GLN 27 -5.543 -1.518 -17.174 213 HE21 GLN 27 HE21 GLN 27 -5.016 -0.286 -18.915 214 HE22 GLN 27 HE22 GLN 27 -4.579 -0.932 -20.509 215 H PHE 28 H PHE 28 -2.820 -2.135 -14.490 216 HA PHE 28 HA PHE 28 -4.422 -0.444 -12.752 217 HB2 PHE 28 HB2 PHE 28 -2.306 -1.195 -11.992 218 HB3 PHE 28 HB3 PHE 28 -1.492 -0.672 -13.474 219 HD1 PHE 28 HD1 PHE 28 -0.703 1.539 -13.776 220 HD2 PHE 28 HD2 PHE 28 -3.133 0.568 -10.354 221 HE1 PHE 28 HE1 PHE 28 -0.161 3.750 -12.770 222 HE2 PHE 28 HE2 PHE 28 -2.584 2.773 -9.337 223 HZ PHE 28 HZ PHE 28 -1.097 4.363 -10.537 224 H GLU 29 H GLU 29 -2.839 0.042 -15.908 225 HA GLU 29 HA GLU 29 -3.427 2.937 -15.855 226 HB2 GLU 29 HB2 GLU 29 -2.034 3.110 -17.781 227 HB3 GLU 29 HB3 GLU 29 -1.211 2.159 -16.541 228 HG2 GLU 29 HG2 GLU 29 -1.928 0.062 -17.772 229 HG3 GLU 29 HG3 GLU 29 -2.585 1.087 -19.051 230 H ARG 30 H ARG 30 -4.411 4.020 -17.681 231 HA ARG 30 HA ARG 30 -7.039 3.210 -18.135 232 HB2 ARG 30 HB2 ARG 30 -6.380 5.509 -18.225 233 HB3 ARG 30 HB3 ARG 30 -5.233 5.203 -19.528 234 HG2 ARG 30 HG2 ARG 30 -7.126 6.366 -20.427 235 HG3 ARG 30 HG3 ARG 30 -7.072 4.733 -21.090 236 HD2 ARG 30 HD2 ARG 30 -8.764 4.350 -18.955 237 HD3 ARG 30 HD3 ARG 30 -9.070 6.047 -19.294 238 HE ARG 30 HE ARG 30 -9.184 3.908 -21.414 239 HH11 ARG 30 HH11 ARG 30 -10.754 3.972 -22.884 240 HH12 ARG 30 HH12 ARG 30 -12.141 5.032 -22.647 241 HH21 ARG 30 HH21 ARG 30 -10.906 6.588 -19.887 242 HH22 ARG 30 HH22 ARG 30 -12.185 6.483 -21.080 243 HA PRO 31 HA PRO 31 -6.401 0.359 -21.614 244 HB2 PRO 31 HB2 PRO 31 -8.861 -0.782 -21.735 245 HB3 PRO 31 HB3 PRO 31 -7.724 -1.121 -20.395 246 HG2 PRO 31 HG2 PRO 31 -10.002 0.887 -20.425 247 HG3 PRO 31 HG3 PRO 31 -9.646 -0.364 -19.187 248 HD2 PRO 31 HD2 PRO 31 -8.834 2.228 -18.924 249 HD3 PRO 31 HD3 PRO 31 -7.826 0.865 -18.344 250 H SER 32 H SER 32 -6.918 0.300 -23.834 251 HA SER 32 HA SER 32 -9.020 1.924 -24.993 252 HB2 SER 32 HB2 SER 32 -7.537 3.307 -26.359 253 HB3 SER 32 HB3 SER 32 -7.273 3.628 -24.632 254 HG SER 32 HG SER 32 -5.308 3.417 -25.768 255 H GLY 33 H GLY 33 -9.117 1.630 -27.276 256 HA2 GLY 33 HA2 GLY 33 -9.070 0.470 -29.294 257 HA3 GLY 33 HA3 GLY 33 -7.565 -0.294 -28.787 258 H1 4N2 101 H1 4N2 34 -4.021 -1.047 -3.639 259 H2 4N2 101 H2 4N2 34 -3.861 -3.394 -2.994 260 H3 4N2 101 H3 4N2 34 -1.700 -4.139 -4.133 261 H4 4N2 101 H4 4N2 34 -0.332 -2.323 -5.236 262 H5 4N2 101 H5 4N2 34 -1.971 -0.513 -5.102 263 H62 4N2 101 H62 4N2 34 0.342 0.414 -3.358 264 H61 4N2 101 H61 4N2 34 0.537 0.082 -5.080 265 HO2 4N2 101 H2O 4N2 34 -2.311 -4.229 -1.632 266 HO3 4N2 101 H3O 4N2 34 -3.558 -3.640 -5.417 267 HO4 4N2 101 H4O 4N2 34 -0.373 -2.484 -2.372 268 HO6 4N2 101 H6O 4N2 34 -1.630 1.744 -4.332 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -17.004 4.820 -23.556 2 H2 LYS 1 H2 LYS 1 -15.976 5.816 -24.350 3 H3 LYS 1 H3 LYS 1 -17.161 6.443 -23.421 4 HA LYS 1 HA LYS 1 -15.044 6.651 -22.348 5 HB2 LYS 1 HB2 LYS 1 -15.572 5.482 -20.170 6 HB3 LYS 1 HB3 LYS 1 -16.707 6.677 -20.769 7 HG2 LYS 1 HG2 LYS 1 -18.286 4.998 -21.481 8 HG3 LYS 1 HG3 LYS 1 -17.174 3.678 -21.116 9 HD2 LYS 1 HD2 LYS 1 -18.247 5.618 -19.023 10 HD3 LYS 1 HD3 LYS 1 -19.000 4.070 -19.432 11 HE2 LYS 1 HE2 LYS 1 -16.897 2.878 -18.835 12 HE3 LYS 1 HE3 LYS 1 -16.166 4.416 -18.347 13 HZ1 LYS 1 HZ1 LYS 1 -18.611 3.251 -17.131 14 HZ2 LYS 1 HZ2 LYS 1 -17.136 3.152 -16.475 15 HZ3 LYS 1 HZ3 LYS 1 -17.860 4.621 -16.634 16 H LEU 2 H LEU 2 -15.633 3.171 -21.746 17 HA LEU 2 HA LEU 2 -12.742 2.661 -22.191 18 HB2 LEU 2 HB2 LEU 2 -14.841 1.765 -20.255 19 HB3 LEU 2 HB3 LEU 2 -13.760 0.518 -20.790 20 HG LEU 2 HG LEU 2 -11.856 1.500 -19.870 21 HD11 LEU 2 HD11 LEU 2 -11.718 3.674 -18.793 22 HD12 LEU 2 HD12 LEU 2 -12.020 3.829 -20.522 23 HD13 LEU 2 HD13 LEU 2 -13.359 4.086 -19.363 24 HD21 LEU 2 HD21 LEU 2 -14.259 1.963 -18.057 25 HD22 LEU 2 HD22 LEU 2 -13.214 0.523 -18.178 26 HD23 LEU 2 HD23 LEU 2 -12.598 2.022 -17.479 27 HA PRO 3 HA PRO 3 -13.580 -0.203 -25.450 28 HB2 PRO 3 HB2 PRO 3 -11.587 -2.077 -25.161 29 HB3 PRO 3 HB3 PRO 3 -11.311 -0.393 -25.701 30 HG2 PRO 3 HG2 PRO 3 -10.912 -1.571 -22.957 31 HG3 PRO 3 HG3 PRO 3 -9.863 -0.441 -23.841 32 HD2 PRO 3 HD2 PRO 3 -11.711 0.267 -21.894 33 HD3 PRO 3 HD3 PRO 3 -11.163 1.392 -23.168 34 HA PRO 4 HA PRO 4 -16.387 -3.239 -24.522 35 HB2 PRO 4 HB2 PRO 4 -14.743 -5.395 -25.875 36 HB3 PRO 4 HB3 PRO 4 -16.507 -5.077 -26.000 37 HG2 PRO 4 HG2 PRO 4 -14.873 -4.118 -27.911 38 HG3 PRO 4 HG3 PRO 4 -16.118 -3.031 -27.202 39 HD2 PRO 4 HD2 PRO 4 -13.165 -3.193 -26.548 40 HD3 PRO 4 HD3 PRO 4 -14.189 -1.748 -26.822 41 H GLY 5 H GLY 5 -16.966 -4.030 -22.675 42 HA2 GLY 5 HA2 GLY 5 -17.161 -5.398 -20.837 43 HA3 GLY 5 HA3 GLY 5 -15.732 -6.305 -21.355 44 H TRP 6 H TRP 6 -14.523 -3.221 -21.236 45 HA TRP 6 HA TRP 6 -13.388 -3.640 -18.554 46 HB2 TRP 6 HB2 TRP 6 -12.827 -1.611 -20.716 47 HB3 TRP 6 HB3 TRP 6 -12.044 -1.612 -19.139 48 HD1 TRP 6 HD1 TRP 6 -12.174 -3.550 -22.413 49 HE1 TRP 6 HE1 TRP 6 -10.063 -4.988 -22.657 50 HE3 TRP 6 HE3 TRP 6 -10.226 -2.955 -17.706 51 HZ2 TRP 6 HZ2 TRP 6 -7.892 -5.878 -21.000 52 HZ3 TRP 6 HZ3 TRP 6 -8.099 -4.114 -17.085 53 HH2 TRP 6 HH2 TRP 6 -6.950 -5.582 -18.705 54 H GLU 7 H GLU 7 -13.624 -2.425 -16.777 55 HA GLU 7 HA GLU 7 -15.138 0.106 -16.803 56 HB2 GLU 7 HB2 GLU 7 -16.783 -1.711 -16.394 57 HB3 GLU 7 HB3 GLU 7 -15.832 -2.265 -15.022 58 HG2 GLU 7 HG2 GLU 7 -17.817 -0.995 -14.343 59 HG3 GLU 7 HG3 GLU 7 -16.341 -0.235 -13.784 60 H LYS 8 H LYS 8 -14.715 1.428 -14.903 61 HA LYS 8 HA LYS 8 -12.042 1.109 -13.733 62 HB2 LYS 8 HB2 LYS 8 -14.233 3.184 -13.492 63 HB3 LYS 8 HB3 LYS 8 -12.867 3.158 -12.360 64 HG2 LYS 8 HG2 LYS 8 -11.252 3.324 -14.146 65 HG3 LYS 8 HG3 LYS 8 -12.523 3.141 -15.368 66 HD2 LYS 8 HD2 LYS 8 -11.911 5.457 -15.305 67 HD3 LYS 8 HD3 LYS 8 -13.518 5.324 -14.572 68 HE2 LYS 8 HE2 LYS 8 -12.469 5.370 -12.308 69 HE3 LYS 8 HE3 LYS 8 -10.867 5.467 -13.058 70 HZ1 LYS 8 HZ1 LYS 8 -11.678 7.661 -12.405 71 HZ2 LYS 8 HZ2 LYS 8 -11.524 7.599 -14.028 72 HZ3 LYS 8 HZ3 LYS 8 -13.005 7.511 -13.342 73 H ARG 9 H ARG 9 -11.536 0.503 -11.774 74 HA ARG 9 HA ARG 9 -13.585 -0.242 -9.722 75 HB2 ARG 9 HB2 ARG 9 -13.138 -2.168 -11.287 76 HB3 ARG 9 HB3 ARG 9 -11.458 -2.179 -10.749 77 HG2 ARG 9 HG2 ARG 9 -12.119 -2.822 -8.504 78 HG3 ARG 9 HG3 ARG 9 -13.840 -2.520 -8.868 79 HD2 ARG 9 HD2 ARG 9 -13.866 -4.335 -10.502 80 HD3 ARG 9 HD3 ARG 9 -12.125 -4.613 -10.269 81 HE ARG 9 HE ARG 9 -13.407 -4.824 -7.740 82 HH11 ARG 9 HH11 ARG 9 -13.283 -6.672 -10.731 83 HH12 ARG 9 HH12 ARG 9 -13.584 -8.172 -9.901 84 HH21 ARG 9 HH21 ARG 9 -13.808 -6.772 -6.775 85 HH22 ARG 9 HH22 ARG 9 -13.877 -8.225 -7.736 86 H MET 10 H MET 10 -12.801 -0.389 -7.576 87 HA MET 10 HA MET 10 -10.155 0.909 -7.132 88 HB2 MET 10 HB2 MET 10 -12.282 2.105 -6.435 89 HB3 MET 10 HB3 MET 10 -12.435 0.873 -5.163 90 HG2 MET 10 HG2 MET 10 -10.140 1.540 -4.354 91 HG3 MET 10 HG3 MET 10 -10.085 2.760 -5.621 92 HE1 MET 10 HE1 MET 10 -12.950 1.636 -3.015 93 HE2 MET 10 HE2 MET 10 -11.392 1.688 -2.158 94 HE3 MET 10 HE3 MET 10 -12.660 2.874 -1.778 95 H PHE 11 H PHE 11 -8.612 0.054 -5.842 96 HA PHE 11 HA PHE 11 -8.844 -2.695 -4.815 97 HB2 PHE 11 HB2 PHE 11 -6.658 -0.581 -4.714 98 HB3 PHE 11 HB3 PHE 11 -6.504 -2.156 -3.961 99 HD1 PHE 11 HD1 PHE 11 -5.560 -0.375 -6.787 100 HD2 PHE 11 HD2 PHE 11 -7.119 -4.225 -5.627 101 HE1 PHE 11 HE1 PHE 11 -4.537 -1.395 -8.801 102 HE2 PHE 11 HE2 PHE 11 -6.132 -5.232 -7.669 103 HZ PHE 11 HZ PHE 11 -4.838 -3.823 -9.257 104 H ALA 12 H ALA 12 -8.367 -3.221 -2.550 105 HA ALA 12 HA ALA 12 -10.003 -1.857 -0.684 106 HB1 ALA 12 HB1 ALA 12 -7.742 -3.853 -0.222 107 HB2 ALA 12 HB2 ALA 12 -9.036 -3.454 0.928 108 HB3 ALA 12 HB3 ALA 12 -9.434 -4.257 -0.601 109 H ASN 13 H ASN 13 -6.734 -1.124 -1.566 110 HA ASN 13 HA ASN 13 -6.163 0.473 0.845 111 HB2 ASN 13 HB2 ASN 13 -3.992 0.885 -0.235 112 HB3 ASN 13 HB3 ASN 13 -4.381 -0.838 -0.130 113 HD21 ASN 13 HD21 ASN 13 -2.859 -1.292 -1.765 114 H GLY 14 H GLY 14 -8.129 1.086 -1.759 115 HA2 GLY 14 HA2 GLY 14 -9.224 3.085 -2.203 116 HA3 GLY 14 HA3 GLY 14 -7.965 4.006 -1.365 117 H THR 15 H THR 15 -6.634 1.833 -3.692 118 HA THR 15 HA THR 15 -6.058 4.092 -5.541 119 HB THR 15 HB THR 15 -4.910 1.282 -5.516 120 HG1 THR 15 HG1 THR 15 -4.259 2.150 -3.727 121 HG21 THR 15 HG21 THR 15 -4.555 2.328 -7.690 122 HG22 THR 15 HG22 THR 15 -4.005 3.835 -6.914 123 HG23 THR 15 HG23 THR 15 -3.040 2.348 -6.784 124 H VAL 16 H VAL 16 -6.756 4.200 -7.669 125 HA VAL 16 HA VAL 16 -8.893 2.306 -8.443 126 HB VAL 16 HB VAL 16 -8.143 5.062 -9.441 127 HG11 VAL 16 HG11 VAL 16 -9.047 3.844 -11.349 128 HG12 VAL 16 HG12 VAL 16 -10.402 3.239 -10.363 129 HG13 VAL 16 HG13 VAL 16 -10.258 4.972 -10.736 130 HG21 VAL 16 HG21 VAL 16 -9.273 4.999 -7.229 131 HG22 VAL 16 HG22 VAL 16 -10.335 5.674 -8.466 132 HG23 VAL 16 HG23 VAL 16 -10.571 4.001 -7.918 133 H TYR 17 H TYR 17 -8.941 1.113 -10.216 134 HA TYR 17 HA TYR 17 -6.762 1.085 -12.203 135 HB2 TYR 17 HB2 TYR 17 -6.246 -1.197 -11.882 136 HB3 TYR 17 HB3 TYR 17 -6.126 -0.442 -10.319 137 HD1 TYR 17 HD1 TYR 17 -8.045 -0.806 -8.624 138 HD2 TYR 17 HD2 TYR 17 -7.623 -3.101 -12.254 139 HE1 TYR 17 HE1 TYR 17 -9.376 -2.665 -7.623 140 HE2 TYR 17 HE2 TYR 17 -8.994 -4.920 -11.262 141 HH TYR 17 HH TYR 17 -9.902 -5.740 -9.322 142 H TYR 18 H TYR 18 -7.407 -0.950 -13.745 143 HA TYR 18 HA TYR 18 -10.271 -0.583 -14.524 144 HB2 TYR 18 HB2 TYR 18 -7.825 -0.880 -16.304 145 HB3 TYR 18 HB3 TYR 18 -9.506 -0.755 -16.845 146 HD1 TYR 18 HD1 TYR 18 -10.625 1.385 -16.982 147 HD2 TYR 18 HD2 TYR 18 -6.718 1.091 -15.187 148 HE1 TYR 18 HE1 TYR 18 -10.550 3.849 -16.735 149 HE2 TYR 18 HE2 TYR 18 -6.629 3.566 -14.965 150 HH TYR 18 HH TYR 18 -7.754 5.533 -15.276 151 H PHE 19 H PHE 19 -11.449 -2.364 -14.830 152 HA PHE 19 HA PHE 19 -10.145 -5.055 -14.892 153 HB2 PHE 19 HB2 PHE 19 -10.736 -4.786 -12.634 154 HB3 PHE 19 HB3 PHE 19 -12.252 -3.980 -13.007 155 HD1 PHE 19 HD1 PHE 19 -10.513 -7.272 -12.942 156 HD2 PHE 19 HD2 PHE 19 -14.291 -5.247 -13.466 157 HE1 PHE 19 HE1 PHE 19 -11.705 -9.437 -12.747 158 HE2 PHE 19 HE2 PHE 19 -15.474 -7.409 -13.240 159 HZ PHE 19 HZ PHE 19 -14.187 -9.514 -12.905 160 H ASN 20 H ASN 20 -11.089 -6.551 -16.183 161 HA ASN 20 HA ASN 20 -13.364 -5.644 -17.862 162 HB2 ASN 20 HB2 ASN 20 -11.182 -6.256 -18.940 163 HB3 ASN 20 HB3 ASN 20 -11.446 -7.922 -18.398 164 HD21 ASN 20 HD21 ASN 20 -13.246 -6.655 -21.753 165 HD22 ASN 20 HD22 ASN 20 -11.884 -5.852 -20.984 166 H HIS 21 H HIS 21 -15.331 -6.377 -17.369 167 HA HIS 21 HA HIS 21 -15.603 -8.550 -15.424 168 HB2 HIS 21 HB2 HIS 21 -17.695 -7.780 -15.010 169 HB3 HIS 21 HB3 HIS 21 -16.899 -6.298 -15.532 170 HD2 HIS 21 HD2 HIS 21 -17.679 -5.269 -17.945 171 HE1 HIS 21 HE1 HIS 21 -21.096 -7.764 -18.463 172 HE2 HIS 21 HE2 HIS 21 -19.895 -5.682 -19.304 173 H ILE 22 H ILE 22 -15.499 -8.521 -18.802 174 HA ILE 22 HA ILE 22 -17.198 -10.910 -19.203 175 HB ILE 22 HB ILE 22 -15.454 -9.347 -21.143 176 HG12 ILE 22 HG12 ILE 22 -17.269 -7.918 -20.258 177 HG13 ILE 22 HG13 ILE 22 -17.430 -8.257 -21.977 178 HG21 ILE 22 HG21 ILE 22 -17.507 -11.523 -21.648 179 HG22 ILE 22 HG22 ILE 22 -16.839 -10.456 -22.904 180 HG23 ILE 22 HG23 ILE 22 -15.773 -11.549 -22.021 181 HD11 ILE 22 HD11 ILE 22 -19.032 -9.609 -19.762 182 HD12 ILE 22 HD12 ILE 22 -19.595 -8.316 -20.838 183 HD13 ILE 22 HD13 ILE 22 -19.215 -9.907 -21.509 184 H THR 23 H THR 23 -13.747 -10.006 -19.250 185 HA THR 23 HA THR 23 -12.962 -12.862 -19.624 186 HB THR 23 HB THR 23 -10.859 -12.010 -20.453 187 HG1 THR 23 HG1 THR 23 -10.760 -9.684 -20.731 188 HG21 THR 23 HG21 THR 23 -11.566 -10.898 -22.472 189 HG22 THR 23 HG22 THR 23 -12.803 -12.091 -22.044 190 HG23 THR 23 HG23 THR 23 -13.088 -10.364 -21.728 191 H ASN 24 H ASN 24 -13.117 -10.652 -17.087 192 HA ASN 24 HA ASN 24 -12.268 -10.442 -15.060 193 HB2 ASN 24 HB2 ASN 24 -11.296 -13.302 -15.267 194 HB3 ASN 24 HB3 ASN 24 -11.530 -12.361 -13.787 195 HD21 ASN 24 HD21 ASN 24 -12.994 -14.647 -15.750 196 HD22 ASN 24 HD22 ASN 24 -14.656 -14.375 -15.213 197 H ALA 25 H ALA 25 -10.470 -9.925 -17.493 198 HA ALA 25 HA ALA 25 -7.765 -9.973 -16.428 199 HB1 ALA 25 HB1 ALA 25 -7.265 -8.573 -18.385 200 HB2 ALA 25 HB2 ALA 25 -8.265 -9.962 -18.852 201 HB3 ALA 25 HB3 ALA 25 -8.997 -8.347 -18.695 202 H SER 26 H SER 26 -6.501 -8.048 -15.853 203 HA SER 26 HA SER 26 -7.912 -5.568 -15.274 204 HB2 SER 26 HB2 SER 26 -7.192 -5.403 -12.923 205 HB3 SER 26 HB3 SER 26 -8.386 -6.672 -13.181 206 HG SER 26 HG SER 26 -6.732 -8.200 -13.098 207 H GLN 27 H GLN 27 -6.611 -3.769 -14.965 208 HA GLN 27 HA GLN 27 -3.707 -3.988 -14.850 209 HB2 GLN 27 HB2 GLN 27 -3.204 -2.901 -16.918 210 HB3 GLN 27 HB3 GLN 27 -4.193 -4.323 -17.268 211 HG2 GLN 27 HG2 GLN 27 -6.162 -2.914 -17.648 212 HG3 GLN 27 HG3 GLN 27 -5.259 -1.481 -17.180 213 HE21 GLN 27 HE21 GLN 27 -4.695 -0.297 -18.950 214 HE22 GLN 27 HE22 GLN 27 -4.136 -0.991 -20.488 215 H PHE 28 H PHE 28 -2.653 -1.906 -14.442 216 HA PHE 28 HA PHE 28 -4.311 -0.237 -12.743 217 HB2 PHE 28 HB2 PHE 28 -2.177 -0.882 -11.961 218 HB3 PHE 28 HB3 PHE 28 -1.378 -0.374 -13.457 219 HD1 PHE 28 HD1 PHE 28 -3.130 0.927 -10.407 220 HD2 PHE 28 HD2 PHE 28 -0.609 1.825 -13.785 221 HE1 PHE 28 HE1 PHE 28 -2.655 3.178 -9.455 222 HE2 PHE 28 HE2 PHE 28 -0.139 4.082 -12.839 223 HZ PHE 28 HZ PHE 28 -1.160 4.756 -10.667 224 H GLU 29 H GLU 29 -2.740 0.277 -15.903 225 HA GLU 29 HA GLU 29 -3.565 3.121 -15.935 226 HB2 GLU 29 HB2 GLU 29 -2.174 3.365 -17.849 227 HB3 GLU 29 HB3 GLU 29 -1.281 2.512 -16.588 228 HG2 GLU 29 HG2 GLU 29 -1.830 0.336 -17.780 229 HG3 GLU 29 HG3 GLU 29 -2.533 1.289 -19.091 230 H ARG 30 H ARG 30 -4.694 4.064 -17.763 231 HA ARG 30 HA ARG 30 -7.164 2.772 -18.199 232 HB2 ARG 30 HB2 ARG 30 -6.913 5.149 -18.035 233 HB3 ARG 30 HB3 ARG 30 -5.940 5.234 -19.495 234 HG2 ARG 30 HG2 ARG 30 -8.706 4.030 -19.683 235 HG3 ARG 30 HG3 ARG 30 -8.573 5.780 -19.445 236 HD2 ARG 30 HD2 ARG 30 -7.724 6.187 -21.525 237 HD3 ARG 30 HD3 ARG 30 -6.788 4.700 -21.567 238 HE ARG 30 HE ARG 30 -8.471 3.589 -22.607 239 HH11 ARG 30 HH11 ARG 30 -10.013 6.476 -21.296 240 HH12 ARG 30 HH12 ARG 30 -11.481 6.149 -22.196 241 HH21 ARG 30 HH21 ARG 30 -11.646 4.470 -23.495 242 HH22 ARG 30 HH22 ARG 30 -10.285 3.398 -23.804 243 HA PRO 31 HA PRO 31 -5.920 0.175 -21.592 244 HB2 PRO 31 HB2 PRO 31 -8.214 -1.240 -22.034 245 HB3 PRO 31 HB3 PRO 31 -7.227 -1.434 -20.554 246 HG2 PRO 31 HG2 PRO 31 -9.698 0.282 -20.926 247 HG3 PRO 31 HG3 PRO 31 -9.344 -0.874 -19.602 248 HD2 PRO 31 HD2 PRO 31 -8.914 1.801 -19.350 249 HD3 PRO 31 HD3 PRO 31 -7.806 0.603 -18.614 250 H SER 32 H SER 32 -5.812 0.228 -23.752 251 HA SER 32 HA SER 32 -5.881 0.929 -25.840 252 HB2 SER 32 HB2 SER 32 -7.876 1.184 -27.077 253 HB3 SER 32 HB3 SER 32 -8.130 -0.108 -25.881 254 HG SER 32 HG SER 32 -9.010 1.638 -24.539 255 H GLY 33 H GLY 33 -5.723 2.664 -27.221 256 HA2 GLY 33 HA2 GLY 33 -6.516 5.362 -26.762 257 HA3 GLY 33 HA3 GLY 33 -4.903 5.147 -26.077 258 H1 4N2 101 H1 4N2 34 -3.995 -1.134 -4.455 259 H2 4N2 101 H2 4N2 34 -3.177 -3.326 -3.782 260 H3 4N2 101 H3 4N2 34 -0.817 -3.207 -5.329 261 H4 4N2 101 H4 4N2 34 -2.767 -1.328 -6.689 262 H5 4N2 101 H5 4N2 34 -1.561 0.593 -6.145 263 H62 4N2 101 H62 4N2 34 0.767 -0.201 -6.020 264 H61 4N2 101 H61 4N2 34 0.328 0.820 -4.657 265 HO2 4N2 101 H2O 4N2 34 -0.594 -2.199 -3.255 266 HO3 4N2 101 H3O 4N2 34 -2.095 -4.224 -6.812 267 HO4 4N2 101 H4O 4N2 34 -1.324 -2.264 -8.113 268 HO6 4N2 101 H6O 4N2 34 1.509 -1.063 -4.017 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -16.444 5.773 -23.895 2 H2 LYS 1 H2 LYS 1 -16.050 4.794 -22.653 3 H3 LYS 1 H3 LYS 1 -16.066 4.214 -24.189 4 HA LYS 1 HA LYS 1 -14.310 5.702 -24.842 5 HB2 LYS 1 HB2 LYS 1 -13.051 7.011 -23.334 6 HB3 LYS 1 HB3 LYS 1 -14.745 7.450 -23.192 7 HG2 LYS 1 HG2 LYS 1 -14.878 6.079 -21.075 8 HG3 LYS 1 HG3 LYS 1 -13.131 5.770 -21.223 9 HD2 LYS 1 HD2 LYS 1 -12.688 8.206 -21.137 10 HD3 LYS 1 HD3 LYS 1 -14.432 8.513 -20.971 11 HE2 LYS 1 HE2 LYS 1 -14.455 7.166 -18.875 12 HE3 LYS 1 HE3 LYS 1 -12.715 6.889 -19.036 13 HZ1 LYS 1 HZ1 LYS 1 -13.190 8.753 -17.546 14 HZ2 LYS 1 HZ2 LYS 1 -12.388 9.300 -18.858 15 HZ3 LYS 1 HZ3 LYS 1 -13.996 9.553 -18.715 16 H LEU 2 H LEU 2 -14.275 3.531 -21.928 17 HA LEU 2 HA LEU 2 -11.731 2.364 -22.653 18 HB2 LEU 2 HB2 LEU 2 -13.973 1.085 -21.038 19 HB3 LEU 2 HB3 LEU 2 -12.298 0.604 -21.126 20 HG LEU 2 HG LEU 2 -12.409 1.480 -19.069 21 HD11 LEU 2 HD11 LEU 2 -11.064 3.434 -18.958 22 HD12 LEU 2 HD12 LEU 2 -10.547 2.509 -20.377 23 HD13 LEU 2 HD13 LEU 2 -11.549 3.961 -20.588 24 HD21 LEU 2 HD21 LEU 2 -13.985 3.906 -19.976 25 HD22 LEU 2 HD22 LEU 2 -14.650 2.458 -19.182 26 HD23 LEU 2 HD23 LEU 2 -13.494 3.490 -18.327 27 HA PRO 3 HA PRO 3 -13.159 -0.602 -25.752 28 HB2 PRO 3 HB2 PRO 3 -11.577 -2.781 -24.476 29 HB3 PRO 3 HB3 PRO 3 -11.450 -2.102 -26.122 30 HG2 PRO 3 HG2 PRO 3 -9.573 -1.580 -24.197 31 HG3 PRO 3 HG3 PRO 3 -10.063 -0.367 -25.418 32 HD2 PRO 3 HD2 PRO 3 -10.993 -0.615 -22.556 33 HD3 PRO 3 HD3 PRO 3 -10.486 0.843 -23.464 34 HA PRO 4 HA PRO 4 -16.477 -3.109 -24.288 35 HB2 PRO 4 HB2 PRO 4 -15.226 -5.560 -25.553 36 HB3 PRO 4 HB3 PRO 4 -16.935 -5.008 -25.605 37 HG2 PRO 4 HG2 PRO 4 -15.328 -4.481 -27.701 38 HG3 PRO 4 HG3 PRO 4 -16.362 -3.168 -27.037 39 HD2 PRO 4 HD2 PRO 4 -13.420 -3.691 -26.503 40 HD3 PRO 4 HD3 PRO 4 -14.234 -2.149 -26.927 41 H GLY 5 H GLY 5 -17.048 -3.955 -22.430 42 HA2 GLY 5 HA2 GLY 5 -17.164 -5.352 -20.600 43 HA3 GLY 5 HA3 GLY 5 -15.662 -6.145 -21.102 44 H TRP 6 H TRP 6 -14.502 -3.134 -21.021 45 HA TRP 6 HA TRP 6 -13.367 -3.497 -18.372 46 HB2 TRP 6 HB2 TRP 6 -13.022 -1.350 -20.445 47 HB3 TRP 6 HB3 TRP 6 -12.132 -1.395 -18.915 48 HD1 TRP 6 HD1 TRP 6 -12.234 -2.850 -22.351 49 HE1 TRP 6 HE1 TRP 6 -10.185 -4.311 -22.810 50 HE3 TRP 6 HE3 TRP 6 -10.378 -3.129 -17.585 51 HZ2 TRP 6 HZ2 TRP 6 -8.222 -5.712 -21.261 52 HZ3 TRP 6 HZ3 TRP 6 -8.356 -4.522 -17.122 53 HH2 TRP 6 HH2 TRP 6 -7.303 -5.840 -18.932 54 H GLU 7 H GLU 7 -13.612 -2.413 -16.551 55 HA GLU 7 HA GLU 7 -15.481 -0.108 -16.268 56 HB2 GLU 7 HB2 GLU 7 -16.685 -2.256 -15.872 57 HB3 GLU 7 HB3 GLU 7 -15.464 -2.709 -14.680 58 HG2 GLU 7 HG2 GLU 7 -16.154 -0.647 -13.348 59 HG3 GLU 7 HG3 GLU 7 -17.465 -0.419 -14.503 60 H LYS 8 H LYS 8 -14.876 1.347 -14.645 61 HA LYS 8 HA LYS 8 -12.208 1.159 -13.455 62 HB2 LYS 8 HB2 LYS 8 -14.463 3.176 -13.285 63 HB3 LYS 8 HB3 LYS 8 -13.088 3.238 -12.169 64 HG2 LYS 8 HG2 LYS 8 -11.494 3.405 -13.970 65 HG3 LYS 8 HG3 LYS 8 -12.761 3.116 -15.175 66 HD2 LYS 8 HD2 LYS 8 -12.265 5.475 -15.190 67 HD3 LYS 8 HD3 LYS 8 -13.856 5.281 -14.437 68 HE2 LYS 8 HE2 LYS 8 -12.754 5.397 -12.180 69 HE3 LYS 8 HE3 LYS 8 -11.193 5.631 -12.983 70 HZ1 LYS 8 HZ1 LYS 8 -13.516 7.473 -13.197 71 HZ2 LYS 8 HZ2 LYS 8 -12.184 7.743 -12.295 72 HZ3 LYS 8 HZ3 LYS 8 -12.066 7.701 -13.922 73 H ARG 9 H ARG 9 -11.653 0.536 -11.560 74 HA ARG 9 HA ARG 9 -13.629 -0.154 -9.423 75 HB2 ARG 9 HB2 ARG 9 -13.235 -2.072 -11.043 76 HB3 ARG 9 HB3 ARG 9 -11.566 -2.138 -10.481 77 HG2 ARG 9 HG2 ARG 9 -12.257 -2.760 -8.257 78 HG3 ARG 9 HG3 ARG 9 -13.958 -2.367 -8.591 79 HD2 ARG 9 HD2 ARG 9 -12.418 -4.564 -10.035 80 HD3 ARG 9 HD3 ARG 9 -13.397 -4.821 -8.571 81 HE ARG 9 HE ARG 9 -14.901 -3.492 -10.684 82 HH11 ARG 9 HH11 ARG 9 -13.898 -6.678 -9.619 83 HH12 ARG 9 HH12 ARG 9 -15.232 -7.455 -10.430 84 HH21 ARG 9 HH21 ARG 9 -16.542 -4.530 -11.704 85 HH22 ARG 9 HH22 ARG 9 -16.716 -6.265 -11.531 86 H MET 10 H MET 10 -12.778 -0.357 -7.317 87 HA MET 10 HA MET 10 -10.146 0.996 -6.925 88 HB2 MET 10 HB2 MET 10 -12.589 0.924 -5.135 89 HB3 MET 10 HB3 MET 10 -11.007 1.601 -4.684 90 HG2 MET 10 HG2 MET 10 -11.129 3.163 -6.595 91 HG3 MET 10 HG3 MET 10 -12.711 2.517 -7.031 92 HE1 MET 10 HE1 MET 10 -11.770 5.219 -3.385 93 HE2 MET 10 HE2 MET 10 -11.142 3.561 -3.460 94 HE3 MET 10 HE3 MET 10 -10.623 4.766 -4.664 95 H PHE 11 H PHE 11 -8.569 0.215 -5.695 96 HA PHE 11 HA PHE 11 -8.654 -2.548 -4.663 97 HB2 PHE 11 HB2 PHE 11 -6.554 -0.344 -4.645 98 HB3 PHE 11 HB3 PHE 11 -6.319 -1.891 -3.858 99 HD1 PHE 11 HD1 PHE 11 -5.522 -0.145 -6.753 100 HD2 PHE 11 HD2 PHE 11 -6.875 -4.027 -5.449 101 HE1 PHE 11 HE1 PHE 11 -4.500 -1.176 -8.761 102 HE2 PHE 11 HE2 PHE 11 -5.892 -5.049 -7.486 103 HZ PHE 11 HZ PHE 11 -4.701 -3.628 -9.144 104 H ALA 12 H ALA 12 -8.114 -3.016 -2.393 105 HA ALA 12 HA ALA 12 -9.754 -1.678 -0.509 106 HB1 ALA 12 HB1 ALA 12 -9.084 -4.050 -0.388 107 HB2 ALA 12 HB2 ALA 12 -7.399 -3.568 -0.071 108 HB3 ALA 12 HB3 ALA 12 -8.673 -3.193 1.108 109 H ASN 13 H ASN 13 -6.546 -0.840 -1.518 110 HA ASN 13 HA ASN 13 -5.956 0.822 0.838 111 HB2 ASN 13 HB2 ASN 13 -3.833 1.244 -0.255 112 HB3 ASN 13 HB3 ASN 13 -4.192 -0.488 -0.244 113 HD21 ASN 13 HD21 ASN 13 -2.587 -0.693 -1.916 114 H GLY 14 H GLY 14 -7.994 1.321 -1.757 115 HA2 GLY 14 HA2 GLY 14 -9.179 3.267 -2.209 116 HA3 GLY 14 HA3 GLY 14 -7.950 4.251 -1.397 117 H THR 15 H THR 15 -6.557 2.118 -3.733 118 HA THR 15 HA THR 15 -6.161 4.374 -5.635 119 HB THR 15 HB THR 15 -4.859 1.633 -5.642 120 HG1 THR 15 HG1 THR 15 -4.262 2.591 -3.832 121 HG21 THR 15 HG21 THR 15 -3.084 2.850 -6.955 122 HG22 THR 15 HG22 THR 15 -4.610 2.684 -7.811 123 HG23 THR 15 HG23 THR 15 -4.176 4.242 -7.060 124 H VAL 16 H VAL 16 -6.674 4.264 -7.859 125 HA VAL 16 HA VAL 16 -8.926 2.460 -8.518 126 HB VAL 16 HB VAL 16 -7.892 5.026 -9.757 127 HG11 VAL 16 HG11 VAL 16 -8.810 3.716 -11.595 128 HG12 VAL 16 HG12 VAL 16 -10.257 3.316 -10.634 129 HG13 VAL 16 HG13 VAL 16 -9.946 4.988 -11.157 130 HG21 VAL 16 HG21 VAL 16 -9.161 5.244 -7.605 131 HG22 VAL 16 HG22 VAL 16 -10.013 5.960 -8.977 132 HG23 VAL 16 HG23 VAL 16 -10.520 4.377 -8.358 133 H TYR 17 H TYR 17 -8.995 1.087 -10.160 134 HA TYR 17 HA TYR 17 -6.873 0.889 -12.189 135 HB2 TYR 17 HB2 TYR 17 -6.423 -1.401 -11.825 136 HB3 TYR 17 HB3 TYR 17 -6.227 -0.613 -10.288 137 HD1 TYR 17 HD1 TYR 17 -8.010 -0.923 -8.487 138 HD2 TYR 17 HD2 TYR 17 -7.972 -3.204 -12.149 139 HE1 TYR 17 HE1 TYR 17 -9.378 -2.699 -7.405 140 HE2 TYR 17 HE2 TYR 17 -9.396 -4.942 -11.076 141 HH TYR 17 HH TYR 17 -10.270 -4.781 -7.620 142 H TYR 18 H TYR 18 -7.622 -1.078 -13.712 143 HA TYR 18 HA TYR 18 -10.534 -0.744 -14.293 144 HB2 TYR 18 HB2 TYR 18 -8.270 -1.066 -16.286 145 HB3 TYR 18 HB3 TYR 18 -9.989 -0.851 -16.650 146 HD1 TYR 18 HD1 TYR 18 -11.026 1.365 -16.589 147 HD2 TYR 18 HD2 TYR 18 -6.917 0.813 -15.379 148 HE1 TYR 18 HE1 TYR 18 -10.727 3.822 -16.468 149 HE2 TYR 18 HE2 TYR 18 -6.621 3.286 -15.275 150 HH TYR 18 HH TYR 18 -9.295 5.543 -16.000 151 H PHE 19 H PHE 19 -11.696 -2.553 -14.485 152 HA PHE 19 HA PHE 19 -10.340 -5.218 -14.731 153 HB2 PHE 19 HB2 PHE 19 -11.096 -5.047 -12.483 154 HB3 PHE 19 HB3 PHE 19 -12.638 -4.343 -12.958 155 HD1 PHE 19 HD1 PHE 19 -10.654 -7.480 -12.805 156 HD2 PHE 19 HD2 PHE 19 -14.503 -5.759 -13.739 157 HE1 PHE 19 HE1 PHE 19 -11.666 -9.743 -12.820 158 HE2 PHE 19 HE2 PHE 19 -15.515 -8.014 -13.688 159 HZ PHE 19 HZ PHE 19 -14.102 -10.016 -13.254 160 H ASN 20 H ASN 20 -11.207 -6.654 -16.167 161 HA ASN 20 HA ASN 20 -13.404 -5.653 -17.907 162 HB2 ASN 20 HB2 ASN 20 -11.147 -6.140 -18.891 163 HB3 ASN 20 HB3 ASN 20 -11.404 -7.845 -18.499 164 HD21 ASN 20 HD21 ASN 20 -11.442 -5.896 -21.054 165 HD22 ASN 20 HD22 ASN 20 -12.869 -6.444 -21.915 166 H HIS 21 H HIS 21 -15.378 -6.456 -17.523 167 HA HIS 21 HA HIS 21 -15.725 -8.786 -15.818 168 HB2 HIS 21 HB2 HIS 21 -17.877 -8.129 -15.576 169 HB3 HIS 21 HB3 HIS 21 -17.139 -6.585 -15.988 170 HD2 HIS 21 HD2 HIS 21 -17.978 -5.396 -18.237 171 HE1 HIS 21 HE1 HIS 21 -20.806 -8.337 -19.468 172 HE2 HIS 21 HE2 HIS 21 -19.936 -5.984 -19.895 173 H ILE 22 H ILE 22 -15.442 -8.468 -19.214 174 HA ILE 22 HA ILE 22 -16.966 -10.911 -19.874 175 HB ILE 22 HB ILE 22 -15.321 -9.021 -21.607 176 HG12 ILE 22 HG12 ILE 22 -18.348 -9.230 -21.186 177 HG13 ILE 22 HG13 ILE 22 -17.305 -7.941 -20.561 178 HG21 ILE 22 HG21 ILE 22 -15.490 -11.261 -22.637 179 HG22 ILE 22 HG22 ILE 22 -17.255 -11.235 -22.426 180 HG23 ILE 22 HG23 ILE 22 -16.448 -10.097 -23.527 181 HD11 ILE 22 HD11 ILE 22 -18.029 -8.437 -23.455 182 HD12 ILE 22 HD12 ILE 22 -18.382 -7.032 -22.433 183 HD13 ILE 22 HD13 ILE 22 -16.713 -7.349 -22.946 184 H THR 23 H THR 23 -13.584 -9.808 -19.741 185 HA THR 23 HA THR 23 -12.605 -12.540 -20.425 186 HB THR 23 HB THR 23 -10.550 -11.489 -21.073 187 HG1 THR 23 HG1 THR 23 -10.626 -9.099 -20.976 188 HG21 THR 23 HG21 THR 23 -12.755 -9.643 -22.094 189 HG22 THR 23 HG22 THR 23 -11.226 -10.063 -22.887 190 HG23 THR 23 HG23 THR 23 -12.485 -11.297 -22.699 191 H ASN 24 H ASN 24 -13.128 -10.840 -17.636 192 HA ASN 24 HA ASN 24 -12.375 -10.710 -15.579 193 HB2 ASN 24 HB2 ASN 24 -11.875 -12.679 -14.374 194 HB3 ASN 24 HB3 ASN 24 -13.114 -13.027 -15.586 195 HD21 ASN 24 HD21 ASN 24 -9.546 -13.205 -15.143 196 HD22 ASN 24 HD22 ASN 24 -9.393 -14.766 -15.971 197 H ALA 25 H ALA 25 -10.443 -9.844 -17.678 198 HA ALA 25 HA ALA 25 -7.822 -10.048 -16.391 199 HB1 ALA 25 HB1 ALA 25 -8.083 -9.924 -18.848 200 HB2 ALA 25 HB2 ALA 25 -8.820 -8.313 -18.688 201 HB3 ALA 25 HB3 ALA 25 -7.125 -8.568 -18.224 202 H SER 26 H SER 26 -6.599 -8.123 -15.692 203 HA SER 26 HA SER 26 -8.085 -5.677 -15.146 204 HB2 SER 26 HB2 SER 26 -7.422 -5.492 -12.788 205 HB3 SER 26 HB3 SER 26 -8.559 -6.809 -13.064 206 HG SER 26 HG SER 26 -6.849 -8.270 -12.949 207 H GLN 27 H GLN 27 -6.818 -3.844 -14.849 208 HA GLN 27 HA GLN 27 -3.897 -4.019 -14.811 209 HB2 GLN 27 HB2 GLN 27 -3.517 -2.928 -16.913 210 HB3 GLN 27 HB3 GLN 27 -4.446 -4.404 -17.189 211 HG2 GLN 27 HG2 GLN 27 -6.481 -3.140 -17.570 212 HG3 GLN 27 HG3 GLN 27 -5.689 -1.632 -17.128 213 HE21 GLN 27 HE21 GLN 27 -4.678 -0.494 -18.742 214 HE22 GLN 27 HE22 GLN 27 -4.251 -1.164 -20.328 215 H PHE 28 H PHE 28 -2.850 -1.961 -14.456 216 HA PHE 28 HA PHE 28 -4.492 -0.230 -12.747 217 HB2 PHE 28 HB2 PHE 28 -2.444 -0.959 -11.839 218 HB3 PHE 28 HB3 PHE 28 -1.545 -0.574 -13.313 219 HD1 PHE 28 HD1 PHE 28 -3.285 0.968 -10.374 220 HD2 PHE 28 HD2 PHE 28 -0.623 1.569 -13.713 221 HE1 PHE 28 HE1 PHE 28 -2.680 3.215 -9.494 222 HE2 PHE 28 HE2 PHE 28 -0.026 3.817 -12.838 223 HZ PHE 28 HZ PHE 28 -1.052 4.640 -10.720 224 H GLU 29 H GLU 29 -2.633 0.164 -15.769 225 HA GLU 29 HA GLU 29 -3.365 3.015 -16.005 226 HB2 GLU 29 HB2 GLU 29 -2.027 3.003 -18.001 227 HB3 GLU 29 HB3 GLU 29 -1.114 2.363 -16.647 228 HG2 GLU 29 HG2 GLU 29 -2.483 0.487 -18.621 229 HG3 GLU 29 HG3 GLU 29 -0.962 1.262 -19.018 230 H ARG 30 H ARG 30 -4.450 3.836 -17.995 231 HA ARG 30 HA ARG 30 -6.989 2.620 -18.144 232 HB2 ARG 30 HB2 ARG 30 -6.210 5.099 -18.561 233 HB3 ARG 30 HB3 ARG 30 -6.077 4.592 -20.245 234 HG2 ARG 30 HG2 ARG 30 -8.604 3.626 -19.485 235 HG3 ARG 30 HG3 ARG 30 -8.441 5.104 -18.532 236 HD2 ARG 30 HD2 ARG 30 -9.452 5.909 -20.403 237 HD3 ARG 30 HD3 ARG 30 -7.760 6.196 -20.838 238 HE ARG 30 HE ARG 30 -8.286 3.646 -21.843 239 HH11 ARG 30 HH11 ARG 30 -9.908 6.727 -22.374 240 HH12 ARG 30 HH12 ARG 30 -10.627 6.150 -23.860 241 HH21 ARG 30 HH21 ARG 30 -9.231 3.032 -23.641 242 HH22 ARG 30 HH22 ARG 30 -10.408 4.056 -24.463 243 HA PRO 31 HA PRO 31 -6.189 -0.353 -21.443 244 HB2 PRO 31 HB2 PRO 31 -8.724 -1.354 -21.803 245 HB3 PRO 31 HB3 PRO 31 -7.669 -1.795 -20.421 246 HG2 PRO 31 HG2 PRO 31 -9.854 0.303 -20.512 247 HG3 PRO 31 HG3 PRO 31 -9.587 -0.957 -19.265 248 HD2 PRO 31 HD2 PRO 31 -8.723 1.553 -18.881 249 HD3 PRO 31 HD3 PRO 31 -7.713 0.164 -18.380 250 H SER 32 H SER 32 -6.536 -0.593 -23.701 251 HA SER 32 HA SER 32 -8.244 1.248 -25.173 252 HB2 SER 32 HB2 SER 32 -6.287 2.668 -24.607 253 HB3 SER 32 HB3 SER 32 -5.213 1.469 -25.369 254 HG SER 32 HG SER 32 -5.791 3.202 -26.774 255 H GLY 33 H GLY 33 -8.359 0.707 -27.347 256 HA2 GLY 33 HA2 GLY 33 -6.960 -1.485 -28.643 257 HA3 GLY 33 HA3 GLY 33 -8.547 -1.987 -28.053 258 H1 4N2 101 H1 4N2 34 -3.557 -0.086 -4.636 259 H2 4N2 101 H2 4N2 34 -2.726 -2.375 -4.477 260 H3 4N2 101 H3 4N2 34 -0.576 -2.284 -5.854 261 H4 4N2 101 H4 4N2 34 0.155 0.002 -6.641 262 H5 4N2 101 H5 4N2 34 -1.852 1.258 -6.063 263 H62 4N2 101 H62 4N2 34 0.333 2.395 -4.270 264 H61 4N2 101 H61 4N2 34 0.405 2.488 -6.031 265 HO2 4N2 101 H2O 4N2 34 -0.887 -2.981 -3.387 266 HO3 4N2 101 H3O 4N2 34 -2.559 -2.129 -6.955 267 HO4 4N2 101 H4O 4N2 34 0.457 -0.691 -3.875 268 HO6 4N2 101 H6O 4N2 34 -1.984 3.349 -4.766 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -16.739 4.703 -24.128 2 H2 LYS 1 H2 LYS 1 -17.417 5.822 -23.153 3 H3 LYS 1 H3 LYS 1 -17.105 4.326 -22.576 4 HA LYS 1 HA LYS 1 -15.108 6.308 -23.451 5 HB2 LYS 1 HB2 LYS 1 -16.177 6.940 -21.331 6 HB3 LYS 1 HB3 LYS 1 -15.710 5.398 -20.608 7 HG2 LYS 1 HG2 LYS 1 -13.311 5.974 -20.921 8 HG3 LYS 1 HG3 LYS 1 -13.775 7.487 -21.723 9 HD2 LYS 1 HD2 LYS 1 -14.867 8.264 -19.644 10 HD3 LYS 1 HD3 LYS 1 -14.441 6.737 -18.836 11 HE2 LYS 1 HE2 LYS 1 -12.042 7.205 -19.165 12 HE3 LYS 1 HE3 LYS 1 -12.430 8.689 -20.049 13 HZ1 LYS 1 HZ1 LYS 1 -13.443 9.564 -18.022 14 HZ2 LYS 1 HZ2 LYS 1 -13.100 8.195 -17.198 15 HZ3 LYS 1 HZ3 LYS 1 -11.891 9.157 -17.730 16 H LEU 2 H LEU 2 -15.054 3.369 -21.325 17 HA LEU 2 HA LEU 2 -12.440 2.618 -22.331 18 HB2 LEU 2 HB2 LEU 2 -14.453 1.087 -20.622 19 HB3 LEU 2 HB3 LEU 2 -12.830 0.575 -20.966 20 HG LEU 2 HG LEU 2 -12.519 1.329 -18.901 21 HD11 LEU 2 HD11 LEU 2 -11.302 3.400 -18.864 22 HD12 LEU 2 HD12 LEU 2 -10.965 2.572 -20.395 23 HD13 LEU 2 HD13 LEU 2 -12.073 3.960 -20.356 24 HD21 LEU 2 HD21 LEU 2 -14.788 2.166 -18.535 25 HD22 LEU 2 HD22 LEU 2 -13.548 3.194 -17.799 26 HD23 LEU 2 HD23 LEU 2 -14.342 3.717 -19.297 27 HA PRO 3 HA PRO 3 -13.634 -0.103 -25.688 28 HB2 PRO 3 HB2 PRO 3 -11.751 -2.117 -25.545 29 HB3 PRO 3 HB3 PRO 3 -11.411 -0.462 -26.137 30 HG2 PRO 3 HG2 PRO 3 -10.926 -1.597 -23.376 31 HG3 PRO 3 HG3 PRO 3 -9.812 -0.636 -24.388 32 HD2 PRO 3 HD2 PRO 3 -11.299 0.457 -22.403 33 HD3 PRO 3 HD3 PRO 3 -10.941 1.363 -23.892 34 HA PRO 4 HA PRO 4 -16.526 -2.973 -24.502 35 HB2 PRO 4 HB2 PRO 4 -15.179 -5.206 -26.043 36 HB3 PRO 4 HB3 PRO 4 -16.918 -4.757 -25.997 37 HG2 PRO 4 HG2 PRO 4 -15.394 -3.893 -28.045 38 HG3 PRO 4 HG3 PRO 4 -16.495 -2.733 -27.223 39 HD2 PRO 4 HD2 PRO 4 -13.513 -3.097 -26.838 40 HD3 PRO 4 HD3 PRO 4 -14.460 -1.585 -27.005 41 H GLY 5 H GLY 5 -17.064 -3.975 -22.718 42 HA2 GLY 5 HA2 GLY 5 -17.114 -5.469 -20.959 43 HA3 GLY 5 HA3 GLY 5 -15.619 -6.219 -21.543 44 H TRP 6 H TRP 6 -14.556 -3.150 -21.360 45 HA TRP 6 HA TRP 6 -13.408 -3.568 -18.684 46 HB2 TRP 6 HB2 TRP 6 -12.872 -1.589 -20.888 47 HB3 TRP 6 HB3 TRP 6 -12.082 -1.517 -19.311 48 HD1 TRP 6 HD1 TRP 6 -12.152 -3.450 -22.575 49 HE1 TRP 6 HE1 TRP 6 -10.089 -4.967 -22.759 50 HE3 TRP 6 HE3 TRP 6 -10.347 -2.961 -17.800 51 HZ2 TRP 6 HZ2 TRP 6 -7.969 -5.899 -21.050 52 HZ3 TRP 6 HZ3 TRP 6 -8.284 -4.185 -17.116 53 HH2 TRP 6 HH2 TRP 6 -7.109 -5.661 -18.716 54 H GLU 7 H GLU 7 -13.668 -2.380 -16.899 55 HA GLU 7 HA GLU 7 -15.129 0.188 -16.899 56 HB2 GLU 7 HB2 GLU 7 -16.790 -1.727 -16.656 57 HB3 GLU 7 HB3 GLU 7 -15.989 -2.149 -15.139 58 HG2 GLU 7 HG2 GLU 7 -16.632 0.013 -14.172 59 HG3 GLU 7 HG3 GLU 7 -17.207 0.583 -15.741 60 H LYS 8 H LYS 8 -14.831 1.378 -14.837 61 HA LYS 8 HA LYS 8 -12.204 0.999 -13.667 62 HB2 LYS 8 HB2 LYS 8 -14.465 2.957 -13.154 63 HB3 LYS 8 HB3 LYS 8 -13.047 2.870 -12.095 64 HG2 LYS 8 HG2 LYS 8 -11.535 3.221 -13.988 65 HG3 LYS 8 HG3 LYS 8 -12.918 3.264 -15.101 66 HD2 LYS 8 HD2 LYS 8 -12.248 5.525 -14.724 67 HD3 LYS 8 HD3 LYS 8 -13.760 5.297 -13.827 68 HE2 LYS 8 HE2 LYS 8 -12.428 4.930 -11.737 69 HE3 LYS 8 HE3 LYS 8 -10.937 5.150 -12.665 70 HZ1 LYS 8 HZ1 LYS 8 -11.602 7.196 -11.532 71 HZ2 LYS 8 HZ2 LYS 8 -11.645 7.425 -13.147 72 HZ3 LYS 8 HZ3 LYS 8 -13.036 7.223 -12.309 73 H ARG 9 H ARG 9 -11.622 0.503 -11.729 74 HA ARG 9 HA ARG 9 -13.438 -0.725 -9.711 75 HB2 ARG 9 HB2 ARG 9 -12.206 -2.338 -11.608 76 HB3 ARG 9 HB3 ARG 9 -10.949 -2.235 -10.403 77 HG2 ARG 9 HG2 ARG 9 -12.015 -4.042 -9.541 78 HG3 ARG 9 HG3 ARG 9 -13.054 -2.840 -8.763 79 HD2 ARG 9 HD2 ARG 9 -13.567 -4.528 -11.233 80 HD3 ARG 9 HD3 ARG 9 -14.472 -4.510 -9.706 81 HE ARG 9 HE ARG 9 -14.590 -1.923 -10.970 82 HH11 ARG 9 HH11 ARG 9 -16.206 -1.205 -12.107 83 HH12 ARG 9 HH12 ARG 9 -17.430 -2.273 -12.782 84 HH21 ARG 9 HH21 ARG 9 -15.986 -5.115 -11.448 85 HH22 ARG 9 HH22 ARG 9 -17.321 -4.446 -12.360 86 H MET 10 H MET 10 -12.133 -1.308 -7.661 87 HA MET 10 HA MET 10 -9.788 0.419 -7.201 88 HB2 MET 10 HB2 MET 10 -11.737 1.946 -7.127 89 HB3 MET 10 HB3 MET 10 -12.472 0.946 -5.858 90 HG2 MET 10 HG2 MET 10 -10.649 1.506 -4.331 91 HG3 MET 10 HG3 MET 10 -9.801 2.382 -5.616 92 HE1 MET 10 HE1 MET 10 -10.882 5.246 -3.177 93 HE2 MET 10 HE2 MET 10 -10.369 3.598 -2.752 94 HE3 MET 10 HE3 MET 10 -9.536 4.485 -4.054 95 H PHE 11 H PHE 11 -8.552 -0.167 -5.533 96 HA PHE 11 HA PHE 11 -9.213 -2.545 -3.905 97 HB2 PHE 11 HB2 PHE 11 -6.717 -0.830 -4.173 98 HB3 PHE 11 HB3 PHE 11 -6.858 -2.194 -3.077 99 HD1 PHE 11 HD1 PHE 11 -6.179 -1.188 -6.510 100 HD2 PHE 11 HD2 PHE 11 -7.196 -4.525 -3.975 101 HE1 PHE 11 HE1 PHE 11 -5.390 -2.759 -8.260 102 HE2 PHE 11 HE2 PHE 11 -6.396 -6.095 -5.726 103 HZ PHE 11 HZ PHE 11 -5.492 -5.214 -7.871 104 H ALA 12 H ALA 12 -9.274 -2.556 -1.647 105 HA ALA 12 HA ALA 12 -10.445 -0.335 -0.320 106 HB1 ALA 12 HB1 ALA 12 -10.800 -2.703 0.279 107 HB2 ALA 12 HB2 ALA 12 -9.106 -2.831 0.815 108 HB3 ALA 12 HB3 ALA 12 -10.239 -1.767 1.676 109 H ASN 13 H ASN 13 -7.096 -0.933 -0.914 110 HA ASN 13 HA ASN 13 -6.066 0.713 1.266 111 HB2 ASN 13 HB2 ASN 13 -3.905 0.326 0.263 112 HB3 ASN 13 HB3 ASN 13 -4.813 -1.188 0.332 113 HD21 ASN 13 HD21 ASN 13 -3.335 -2.024 -1.249 114 H GLY 14 H GLY 14 -7.723 1.595 -1.519 115 HA2 GLY 14 HA2 GLY 14 -8.235 3.872 -1.979 116 HA3 GLY 14 HA3 GLY 14 -6.631 4.372 -1.421 117 H THR 15 H THR 15 -6.296 1.666 -3.480 118 HA THR 15 HA THR 15 -5.298 3.427 -5.647 119 HB THR 15 HB THR 15 -4.982 0.427 -5.334 120 HG1 THR 15 HG1 THR 15 -3.998 1.350 -3.670 121 HG21 THR 15 HG21 THR 15 -3.031 0.752 -6.828 122 HG22 THR 15 HG22 THR 15 -4.540 1.174 -7.641 123 HG23 THR 15 HG23 THR 15 -3.473 2.460 -7.032 124 H VAL 16 H VAL 16 -6.318 3.753 -7.532 125 HA VAL 16 HA VAL 16 -8.731 2.169 -8.236 126 HB VAL 16 HB VAL 16 -7.649 4.841 -9.170 127 HG11 VAL 16 HG11 VAL 16 -10.149 3.398 -10.138 128 HG12 VAL 16 HG12 VAL 16 -9.750 5.102 -10.448 129 HG13 VAL 16 HG13 VAL 16 -8.725 3.833 -11.116 130 HG21 VAL 16 HG21 VAL 16 -9.719 5.706 -8.142 131 HG22 VAL 16 HG22 VAL 16 -10.189 4.059 -7.671 132 HG23 VAL 16 HG23 VAL 16 -8.762 4.828 -6.946 133 H TYR 17 H TYR 17 -8.992 1.102 -10.150 134 HA TYR 17 HA TYR 17 -6.841 0.928 -12.140 135 HB2 TYR 17 HB2 TYR 17 -6.455 -1.408 -11.920 136 HB3 TYR 17 HB3 TYR 17 -6.165 -0.673 -10.373 137 HD1 TYR 17 HD1 TYR 17 -7.871 -0.978 -8.496 138 HD2 TYR 17 HD2 TYR 17 -8.039 -3.193 -12.192 139 HE1 TYR 17 HE1 TYR 17 -9.077 -2.822 -7.343 140 HE2 TYR 17 HE2 TYR 17 -9.318 -4.999 -11.055 141 HH TYR 17 HH TYR 17 -9.858 -4.954 -7.519 142 H TYR 18 H TYR 18 -7.583 -1.021 -13.730 143 HA TYR 18 HA TYR 18 -10.482 -0.656 -14.363 144 HB2 TYR 18 HB2 TYR 18 -8.153 -0.821 -16.305 145 HB3 TYR 18 HB3 TYR 18 -9.867 -0.699 -16.727 146 HD1 TYR 18 HD1 TYR 18 -6.969 1.112 -15.265 147 HD2 TYR 18 HD2 TYR 18 -11.045 1.427 -16.640 148 HE1 TYR 18 HE1 TYR 18 -6.834 3.587 -15.075 149 HE2 TYR 18 HE2 TYR 18 -10.888 3.914 -16.500 150 HH TYR 18 HH TYR 18 -7.947 5.564 -15.325 151 H PHE 19 H PHE 19 -11.605 -2.439 -14.933 152 HA PHE 19 HA PHE 19 -10.224 -5.087 -15.055 153 HB2 PHE 19 HB2 PHE 19 -10.839 -4.925 -12.803 154 HB3 PHE 19 HB3 PHE 19 -12.363 -4.122 -13.160 155 HD1 PHE 19 HD1 PHE 19 -10.622 -7.384 -13.039 156 HD2 PHE 19 HD2 PHE 19 -14.376 -5.388 -13.799 157 HE1 PHE 19 HE1 PHE 19 -11.817 -9.549 -12.844 158 HE2 PHE 19 HE2 PHE 19 -15.565 -7.544 -13.559 159 HZ PHE 19 HZ PHE 19 -14.296 -9.631 -13.099 160 H ASN 20 H ASN 20 -11.100 -6.574 -16.370 161 HA ASN 20 HA ASN 20 -13.303 -5.701 -18.154 162 HB2 ASN 20 HB2 ASN 20 -11.082 -6.254 -19.140 163 HB3 ASN 20 HB3 ASN 20 -11.259 -7.908 -18.539 164 HD21 ASN 20 HD21 ASN 20 -13.207 -6.784 -21.917 165 HD22 ASN 20 HD22 ASN 20 -12.160 -5.665 -21.049 166 H HIS 21 H HIS 21 -15.283 -6.442 -17.647 167 HA HIS 21 HA HIS 21 -15.590 -8.560 -15.698 168 HB2 HIS 21 HB2 HIS 21 -17.750 -7.875 -15.489 169 HB3 HIS 21 HB3 HIS 21 -16.989 -6.392 -16.058 170 HD2 HIS 21 HD2 HIS 21 -17.823 -5.422 -18.417 171 HE1 HIS 21 HE1 HIS 21 -20.745 -8.396 -19.299 172 HE2 HIS 21 HE2 HIS 21 -19.821 -6.125 -19.980 173 H ILE 22 H ILE 22 -15.490 -8.641 -19.118 174 HA ILE 22 HA ILE 22 -17.072 -11.087 -19.448 175 HB ILE 22 HB ILE 22 -15.369 -9.480 -21.392 176 HG12 ILE 22 HG12 ILE 22 -18.394 -9.540 -20.965 177 HG13 ILE 22 HG13 ILE 22 -17.307 -8.236 -20.459 178 HG21 ILE 22 HG21 ILE 22 -15.598 -11.809 -22.177 179 HG22 ILE 22 HG22 ILE 22 -17.361 -11.718 -21.962 180 HG23 ILE 22 HG23 ILE 22 -16.536 -10.724 -23.184 181 HD11 ILE 22 HD11 ILE 22 -18.350 -7.483 -22.418 182 HD12 ILE 22 HD12 ILE 22 -16.680 -7.880 -22.868 183 HD13 ILE 22 HD13 ILE 22 -18.012 -8.981 -23.301 184 H THR 23 H THR 23 -13.648 -10.206 -19.381 185 HA THR 23 HA THR 23 -12.832 -13.070 -19.701 186 HB THR 23 HB THR 23 -10.703 -12.231 -20.505 187 HG1 THR 23 HG1 THR 23 -11.846 -9.660 -20.316 188 HG21 THR 23 HG21 THR 23 -12.551 -12.469 -22.163 189 HG22 THR 23 HG22 THR 23 -12.950 -10.750 -21.944 190 HG23 THR 23 HG23 THR 23 -11.369 -11.221 -22.602 191 H ASN 24 H ASN 24 -13.095 -10.818 -17.241 192 HA ASN 24 HA ASN 24 -12.325 -10.554 -15.191 193 HB2 ASN 24 HB2 ASN 24 -11.278 -13.397 -15.331 194 HB3 ASN 24 HB3 ASN 24 -11.601 -12.454 -13.869 195 HD21 ASN 24 HD21 ASN 24 -13.825 -12.015 -13.279 196 HD22 ASN 24 HD22 ASN 24 -15.116 -12.996 -13.977 197 H ALA 25 H ALA 25 -10.416 -10.028 -17.540 198 HA ALA 25 HA ALA 25 -7.769 -10.030 -16.326 199 HB1 ALA 25 HB1 ALA 25 -7.156 -8.736 -18.322 200 HB2 ALA 25 HB2 ALA 25 -8.124 -10.154 -18.771 201 HB3 ALA 25 HB3 ALA 25 -8.869 -8.539 -18.747 202 H SER 26 H SER 26 -6.536 -8.069 -15.794 203 HA SER 26 HA SER 26 -8.026 -5.592 -15.298 204 HB2 SER 26 HB2 SER 26 -7.363 -5.403 -12.953 205 HB3 SER 26 HB3 SER 26 -8.429 -6.786 -13.214 206 HG SER 26 HG SER 26 -6.649 -7.313 -11.883 207 H GLN 27 H GLN 27 -6.768 -3.748 -15.029 208 HA GLN 27 HA GLN 27 -3.850 -3.897 -14.983 209 HB2 GLN 27 HB2 GLN 27 -3.440 -2.773 -17.049 210 HB3 GLN 27 HB3 GLN 27 -4.385 -4.227 -17.385 211 HG2 GLN 27 HG2 GLN 27 -6.404 -2.896 -17.730 212 HG3 GLN 27 HG3 GLN 27 -5.572 -1.431 -17.235 213 HE21 GLN 27 HE21 GLN 27 -4.886 -0.187 -18.916 214 HE22 GLN 27 HE22 GLN 27 -4.377 -0.816 -20.496 215 H PHE 28 H PHE 28 -2.826 -1.815 -14.572 216 HA PHE 28 HA PHE 28 -4.469 -0.226 -12.790 217 HB2 PHE 28 HB2 PHE 28 -2.298 -0.906 -12.104 218 HB3 PHE 28 HB3 PHE 28 -1.548 -0.276 -13.578 219 HD1 PHE 28 HD1 PHE 28 -0.867 1.975 -13.776 220 HD2 PHE 28 HD2 PHE 28 -3.247 0.742 -10.407 221 HE1 PHE 28 HE1 PHE 28 -0.446 4.176 -12.681 222 HE2 PHE 28 HE2 PHE 28 -2.829 2.937 -9.305 223 HZ PHE 28 HZ PHE 28 -1.425 4.648 -10.431 224 H GLU 29 H GLU 29 -2.853 0.464 -15.906 225 HA GLU 29 HA GLU 29 -3.834 3.260 -15.886 226 HB2 GLU 29 HB2 GLU 29 -2.441 3.612 -17.789 227 HB3 GLU 29 HB3 GLU 29 -1.511 2.798 -16.528 228 HG2 GLU 29 HG2 GLU 29 -1.905 0.610 -17.746 229 HG3 GLU 29 HG3 GLU 29 -2.675 1.522 -19.048 230 H ARG 30 H ARG 30 -4.942 4.150 -17.838 231 HA ARG 30 HA ARG 30 -7.375 2.774 -18.133 232 HB2 ARG 30 HB2 ARG 30 -6.811 5.316 -18.367 233 HB3 ARG 30 HB3 ARG 30 -6.517 4.943 -20.063 234 HG2 ARG 30 HG2 ARG 30 -8.988 3.719 -19.600 235 HG3 ARG 30 HG3 ARG 30 -9.045 5.109 -18.506 236 HD2 ARG 30 HD2 ARG 30 -10.004 5.909 -20.470 237 HD3 ARG 30 HD3 ARG 30 -8.338 6.509 -20.570 238 HE ARG 30 HE ARG 30 -8.710 3.888 -21.843 239 HH11 ARG 30 HH11 ARG 30 -9.071 7.325 -22.518 240 HH12 ARG 30 HH12 ARG 30 -9.070 7.045 -24.242 241 HH21 ARG 30 HH21 ARG 30 -8.736 3.630 -23.933 242 HH22 ARG 30 HH22 ARG 30 -8.838 4.986 -25.045 243 HA PRO 31 HA PRO 31 -6.313 0.066 -21.593 244 HB2 PRO 31 HB2 PRO 31 -8.746 -1.124 -22.031 245 HB3 PRO 31 HB3 PRO 31 -7.692 -1.525 -20.637 246 HG2 PRO 31 HG2 PRO 31 -10.003 0.449 -20.710 247 HG3 PRO 31 HG3 PRO 31 -9.734 -0.878 -19.542 248 HD2 PRO 31 HD2 PRO 31 -9.006 1.634 -18.956 249 HD3 PRO 31 HD3 PRO 31 -7.913 0.279 -18.534 250 H SER 32 H SER 32 -6.528 -0.015 -23.824 251 HA SER 32 HA SER 32 -8.480 1.756 -25.189 252 HB2 SER 32 HB2 SER 32 -6.387 3.062 -24.624 253 HB3 SER 32 HB3 SER 32 -5.491 1.969 -25.703 254 HG SER 32 HG SER 32 -6.957 2.606 -27.365 255 H GLY 33 H GLY 33 -7.663 -1.268 -25.058 256 HA2 GLY 33 HA2 GLY 33 -7.863 -3.081 -26.478 257 HA3 GLY 33 HA3 GLY 33 -8.410 -1.983 -27.743 258 H1 4N2 101 H1 4N2 34 -3.762 -1.055 -4.020 259 H2 4N2 101 H2 4N2 34 -4.187 -3.459 -3.945 260 H3 4N2 101 H3 4N2 34 -2.232 -4.332 -5.319 261 H4 4N2 101 H4 4N2 34 -0.418 -2.671 -5.899 262 H5 4N2 101 H5 4N2 34 -1.591 -0.610 -5.233 263 H62 4N2 101 H62 4N2 34 0.784 -0.310 -5.289 264 H61 4N2 101 H61 4N2 34 0.132 0.588 -3.921 265 HO2 4N2 101 H2O 4N2 34 -1.631 -3.962 -2.786 266 HO3 4N2 101 H3O 4N2 34 -3.854 -3.101 -6.370 267 HO4 4N2 101 H4O 4N2 34 0.587 -2.843 -3.669 268 HO6 4N2 101 H6O 4N2 34 2.009 -0.543 -3.292 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -15.545 4.183 -24.566 2 H2 LYS 1 H2 LYS 1 -14.644 4.452 -25.907 3 H3 LYS 1 H3 LYS 1 -15.515 5.667 -25.251 4 HA LYS 1 HA LYS 1 -13.202 5.960 -24.755 5 HB2 LYS 1 HB2 LYS 1 -14.888 6.788 -23.163 6 HB3 LYS 1 HB3 LYS 1 -14.820 5.269 -22.269 7 HG2 LYS 1 HG2 LYS 1 -12.411 5.692 -21.757 8 HG3 LYS 1 HG3 LYS 1 -12.479 7.190 -22.703 9 HD2 LYS 1 HD2 LYS 1 -14.186 8.099 -21.157 10 HD3 LYS 1 HD3 LYS 1 -14.152 6.589 -20.217 11 HE2 LYS 1 HE2 LYS 1 -11.771 6.950 -19.685 12 HE3 LYS 1 HE3 LYS 1 -11.752 8.420 -20.673 13 HZ1 LYS 1 HZ1 LYS 1 -13.382 9.389 -19.151 14 HZ2 LYS 1 HZ2 LYS 1 -13.409 8.034 -18.237 15 HZ3 LYS 1 HZ3 LYS 1 -12.052 8.940 -18.322 16 H LEU 2 H LEU 2 -14.070 3.241 -22.532 17 HA LEU 2 HA LEU 2 -11.437 2.016 -22.972 18 HB2 LEU 2 HB2 LEU 2 -13.795 0.857 -21.443 19 HB3 LEU 2 HB3 LEU 2 -12.114 0.383 -21.388 20 HG LEU 2 HG LEU 2 -12.438 1.349 -19.379 21 HD11 LEU 2 HD11 LEU 2 -10.423 2.237 -20.567 22 HD12 LEU 2 HD12 LEU 2 -11.336 3.713 -20.926 23 HD13 LEU 2 HD13 LEU 2 -11.027 3.244 -19.234 24 HD21 LEU 2 HD21 LEU 2 -14.620 2.420 -19.801 25 HD22 LEU 2 HD22 LEU 2 -13.515 3.403 -18.830 26 HD23 LEU 2 HD23 LEU 2 -13.778 3.812 -20.531 27 HA PRO 3 HA PRO 3 -12.940 -1.015 -25.995 28 HB2 PRO 3 HB2 PRO 3 -11.470 -3.210 -24.629 29 HB3 PRO 3 HB3 PRO 3 -11.254 -2.560 -26.280 30 HG2 PRO 3 HG2 PRO 3 -9.424 -2.089 -24.296 31 HG3 PRO 3 HG3 PRO 3 -9.828 -0.857 -25.534 32 HD2 PRO 3 HD2 PRO 3 -10.946 -1.119 -22.735 33 HD3 PRO 3 HD3 PRO 3 -10.254 0.324 -23.524 34 HA PRO 4 HA PRO 4 -16.353 -3.355 -24.433 35 HB2 PRO 4 HB2 PRO 4 -15.161 -5.914 -25.529 36 HB3 PRO 4 HB3 PRO 4 -16.852 -5.318 -25.637 37 HG2 PRO 4 HG2 PRO 4 -15.209 -4.966 -27.741 38 HG3 PRO 4 HG3 PRO 4 -16.210 -3.586 -27.170 39 HD2 PRO 4 HD2 PRO 4 -13.290 -4.159 -26.570 40 HD3 PRO 4 HD3 PRO 4 -14.052 -2.624 -27.097 41 H GLY 5 H GLY 5 -16.967 -4.066 -22.532 42 HA2 GLY 5 HA2 GLY 5 -17.151 -5.358 -20.627 43 HA3 GLY 5 HA3 GLY 5 -15.664 -6.216 -21.061 44 H TRP 6 H TRP 6 -14.441 -3.233 -21.125 45 HA TRP 6 HA TRP 6 -13.327 -3.466 -18.445 46 HB2 TRP 6 HB2 TRP 6 -12.938 -1.500 -20.683 47 HB3 TRP 6 HB3 TRP 6 -12.055 -1.416 -19.151 48 HD1 TRP 6 HD1 TRP 6 -12.157 -3.180 -22.452 49 HE1 TRP 6 HE1 TRP 6 -10.097 -4.665 -22.762 50 HE3 TRP 6 HE3 TRP 6 -10.347 -3.047 -17.660 51 HZ2 TRP 6 HZ2 TRP 6 -8.188 -5.967 -21.073 52 HZ3 TRP 6 HZ3 TRP 6 -8.352 -4.413 -17.055 53 HH2 TRP 6 HH2 TRP 6 -7.290 -5.898 -18.727 54 H GLU 7 H GLU 7 -13.695 -2.342 -16.656 55 HA GLU 7 HA GLU 7 -15.104 0.259 -16.665 56 HB2 GLU 7 HB2 GLU 7 -16.850 -1.480 -16.458 57 HB3 GLU 7 HB3 GLU 7 -16.021 -2.161 -15.050 58 HG2 GLU 7 HG2 GLU 7 -16.457 -0.150 -13.754 59 HG3 GLU 7 HG3 GLU 7 -17.037 0.704 -15.188 60 H LYS 8 H LYS 8 -14.710 1.510 -14.723 61 HA LYS 8 HA LYS 8 -12.129 1.075 -13.485 62 HB2 LYS 8 HB2 LYS 8 -14.319 3.142 -13.105 63 HB3 LYS 8 HB3 LYS 8 -12.886 3.084 -12.061 64 HG2 LYS 8 HG2 LYS 8 -11.388 3.311 -13.943 65 HG3 LYS 8 HG3 LYS 8 -12.740 3.182 -15.083 66 HD2 LYS 8 HD2 LYS 8 -12.148 5.488 -14.987 67 HD3 LYS 8 HD3 LYS 8 -13.668 5.331 -14.089 68 HE2 LYS 8 HE2 LYS 8 -12.351 5.258 -11.953 69 HE3 LYS 8 HE3 LYS 8 -10.860 5.426 -12.894 70 HZ1 LYS 8 HZ1 LYS 8 -13.043 7.440 -12.797 71 HZ2 LYS 8 HZ2 LYS 8 -11.614 7.566 -12.020 72 HZ3 LYS 8 HZ3 LYS 8 -11.657 7.595 -13.651 73 H ARG 9 H ARG 9 -11.626 0.580 -11.496 74 HA ARG 9 HA ARG 9 -13.608 0.012 -9.374 75 HB2 ARG 9 HB2 ARG 9 -13.355 -2.099 -10.747 76 HB3 ARG 9 HB3 ARG 9 -11.668 -2.186 -10.235 77 HG2 ARG 9 HG2 ARG 9 -12.312 -2.518 -7.928 78 HG3 ARG 9 HG3 ARG 9 -13.993 -2.031 -8.266 79 HD2 ARG 9 HD2 ARG 9 -14.254 -4.027 -9.729 80 HD3 ARG 9 HD3 ARG 9 -12.633 -4.570 -9.270 81 HE ARG 9 HE ARG 9 -15.101 -4.673 -7.691 82 HH11 ARG 9 HH11 ARG 9 -11.596 -4.855 -7.369 83 HH12 ARG 9 HH12 ARG 9 -11.720 -5.561 -5.776 84 HH21 ARG 9 HH21 ARG 9 -15.147 -5.602 -5.700 85 HH22 ARG 9 HH22 ARG 9 -13.658 -5.992 -4.880 86 H MET 10 H MET 10 -12.711 -0.166 -7.252 87 HA MET 10 HA MET 10 -9.985 1.016 -6.960 88 HB2 MET 10 HB2 MET 10 -12.387 1.164 -5.120 89 HB3 MET 10 HB3 MET 10 -10.744 1.681 -4.675 90 HG2 MET 10 HG2 MET 10 -10.707 3.234 -6.582 91 HG3 MET 10 HG3 MET 10 -12.376 2.814 -6.980 92 HE1 MET 10 HE1 MET 10 -14.472 3.518 -5.603 93 HE2 MET 10 HE2 MET 10 -13.871 2.690 -4.147 94 HE3 MET 10 HE3 MET 10 -14.423 4.373 -4.046 95 H PHE 11 H PHE 11 -8.451 0.104 -5.752 96 HA PHE 11 HA PHE 11 -8.700 -2.650 -4.762 97 HB2 PHE 11 HB2 PHE 11 -6.512 -0.535 -4.606 98 HB3 PHE 11 HB3 PHE 11 -6.362 -2.123 -3.880 99 HD1 PHE 11 HD1 PHE 11 -5.621 -0.259 -6.791 100 HD2 PHE 11 HD2 PHE 11 -6.798 -4.194 -5.473 101 HE1 PHE 11 HE1 PHE 11 -4.609 -1.246 -8.828 102 HE2 PHE 11 HE2 PHE 11 -5.823 -5.171 -7.537 103 HZ PHE 11 HZ PHE 11 -4.724 -3.701 -9.215 104 H ALA 12 H ALA 12 -8.208 -3.198 -2.481 105 HA ALA 12 HA ALA 12 -9.877 -1.889 -0.609 106 HB1 ALA 12 HB1 ALA 12 -9.228 -4.268 -0.528 107 HB2 ALA 12 HB2 ALA 12 -7.548 -3.808 -0.154 108 HB3 ALA 12 HB3 ALA 12 -8.852 -3.452 1.000 109 H ASN 13 H ASN 13 -6.631 -1.061 -1.499 110 HA ASN 13 HA ASN 13 -6.107 0.552 0.909 111 HB2 ASN 13 HB2 ASN 13 -3.931 0.946 -0.090 112 HB3 ASN 13 HB3 ASN 13 -4.322 -0.778 -0.108 113 HD21 ASN 13 HD21 ASN 13 -2.766 -1.139 -1.759 114 H GLY 14 H GLY 14 -8.031 1.127 -1.756 115 HA2 GLY 14 HA2 GLY 14 -9.158 3.098 -2.243 116 HA3 GLY 14 HA3 GLY 14 -7.956 4.048 -1.353 117 H THR 15 H THR 15 -6.542 1.910 -3.686 118 HA THR 15 HA THR 15 -5.956 4.186 -5.513 119 HB THR 15 HB THR 15 -4.810 1.375 -5.485 120 HG1 THR 15 HG1 THR 15 -4.213 2.314 -3.675 121 HG21 THR 15 HG21 THR 15 -4.416 2.392 -7.658 122 HG22 THR 15 HG22 THR 15 -3.878 3.910 -6.894 123 HG23 THR 15 HG23 THR 15 -2.917 2.423 -6.730 124 H VAL 16 H VAL 16 -6.428 4.180 -7.741 125 HA VAL 16 HA VAL 16 -8.781 2.545 -8.478 126 HB VAL 16 HB VAL 16 -7.557 5.072 -9.626 127 HG11 VAL 16 HG11 VAL 16 -8.552 3.891 -11.513 128 HG12 VAL 16 HG12 VAL 16 -10.031 3.568 -10.575 129 HG13 VAL 16 HG13 VAL 16 -9.592 5.230 -11.039 130 HG21 VAL 16 HG21 VAL 16 -9.602 6.134 -8.825 131 HG22 VAL 16 HG22 VAL 16 -10.246 4.572 -8.285 132 HG23 VAL 16 HG23 VAL 16 -8.838 5.292 -7.472 133 H TYR 17 H TYR 17 -8.937 1.222 -10.160 134 HA TYR 17 HA TYR 17 -6.847 0.970 -12.207 135 HB2 TYR 17 HB2 TYR 17 -6.364 -1.296 -11.842 136 HB3 TYR 17 HB3 TYR 17 -6.205 -0.538 -10.287 137 HD1 TYR 17 HD1 TYR 17 -8.102 -0.865 -8.552 138 HD2 TYR 17 HD2 TYR 17 -7.805 -3.144 -12.204 139 HE1 TYR 17 HE1 TYR 17 -9.499 -2.675 -7.551 140 HE2 TYR 17 HE2 TYR 17 -9.252 -4.907 -11.223 141 HH TYR 17 HH TYR 17 -10.133 -5.715 -9.279 142 H TYR 18 H TYR 18 -7.634 -1.021 -13.688 143 HA TYR 18 HA TYR 18 -10.551 -0.675 -14.250 144 HB2 TYR 18 HB2 TYR 18 -8.264 -0.922 -16.235 145 HB3 TYR 18 HB3 TYR 18 -9.989 -0.808 -16.624 146 HD1 TYR 18 HD1 TYR 18 -11.100 1.324 -16.748 147 HD2 TYR 18 HD2 TYR 18 -7.086 1.054 -15.178 148 HE1 TYR 18 HE1 TYR 18 -10.964 3.800 -16.642 149 HE2 TYR 18 HE2 TYR 18 -6.964 3.532 -15.055 150 HH TYR 18 HH TYR 18 -8.083 5.494 -15.366 151 H PHE 19 H PHE 19 -11.709 -2.469 -14.559 152 HA PHE 19 HA PHE 19 -10.356 -5.130 -14.771 153 HB2 PHE 19 HB2 PHE 19 -11.047 -4.963 -12.514 154 HB3 PHE 19 HB3 PHE 19 -12.592 -4.237 -12.932 155 HD1 PHE 19 HD1 PHE 19 -14.524 -5.634 -13.537 156 HD2 PHE 19 HD2 PHE 19 -10.625 -7.402 -12.957 157 HE1 PHE 19 HE1 PHE 19 -15.547 -7.883 -13.454 158 HE2 PHE 19 HE2 PHE 19 -11.657 -9.655 -12.917 159 HZ PHE 19 HZ PHE 19 -14.121 -9.903 -13.169 160 H ASN 20 H ASN 20 -11.230 -6.575 -16.150 161 HA ASN 20 HA ASN 20 -13.412 -5.622 -17.926 162 HB2 ASN 20 HB2 ASN 20 -11.158 -6.195 -18.858 163 HB3 ASN 20 HB3 ASN 20 -11.439 -7.874 -18.380 164 HD21 ASN 20 HD21 ASN 20 -11.412 -6.076 -21.025 165 HD22 ASN 20 HD22 ASN 20 -12.826 -6.653 -21.885 166 H HIS 21 H HIS 21 -15.405 -6.346 -17.468 167 HA HIS 21 HA HIS 21 -15.803 -8.595 -15.676 168 HB2 HIS 21 HB2 HIS 21 -17.940 -7.878 -15.464 169 HB3 HIS 21 HB3 HIS 21 -17.166 -6.373 -15.949 170 HD2 HIS 21 HD2 HIS 21 -17.979 -5.269 -18.249 171 HE1 HIS 21 HE1 HIS 21 -20.868 -8.201 -19.354 172 HE2 HIS 21 HE2 HIS 21 -19.946 -5.888 -19.884 173 H ILE 22 H ILE 22 -15.479 -8.455 -19.074 174 HA ILE 22 HA ILE 22 -17.072 -10.884 -19.630 175 HB ILE 22 HB ILE 22 -15.389 -9.105 -21.444 176 HG12 ILE 22 HG12 ILE 22 -18.419 -9.237 -21.013 177 HG13 ILE 22 HG13 ILE 22 -17.351 -7.941 -20.448 178 HG21 ILE 22 HG21 ILE 22 -15.600 -11.385 -22.376 179 HG22 ILE 22 HG22 ILE 22 -17.364 -11.315 -22.166 180 HG23 ILE 22 HG23 ILE 22 -16.537 -10.241 -23.316 181 HD11 ILE 22 HD11 ILE 22 -16.752 -7.472 -22.860 182 HD12 ILE 22 HD12 ILE 22 -18.091 -8.556 -23.315 183 HD13 ILE 22 HD13 ILE 22 -18.414 -7.099 -22.358 184 H THR 23 H THR 23 -13.660 -9.855 -19.552 185 HA THR 23 HA THR 23 -12.755 -12.640 -20.116 186 HB THR 23 HB THR 23 -10.662 -11.672 -20.779 187 HG1 THR 23 HG1 THR 23 -10.701 -9.268 -20.787 188 HG21 THR 23 HG21 THR 23 -11.284 -10.308 -22.660 189 HG22 THR 23 HG22 THR 23 -12.563 -11.513 -22.439 190 HG23 THR 23 HG23 THR 23 -12.819 -9.833 -21.909 191 H ASN 24 H ASN 24 -13.108 -10.646 -17.414 192 HA ASN 24 HA ASN 24 -12.374 -10.570 -15.335 193 HB2 ASN 24 HB2 ASN 24 -11.341 -13.395 -15.693 194 HB3 ASN 24 HB3 ASN 24 -11.665 -12.566 -14.163 195 HD21 ASN 24 HD21 ASN 24 -13.004 -14.679 -16.426 196 HD22 ASN 24 HD22 ASN 24 -14.688 -14.488 -15.928 197 H ALA 25 H ALA 25 -10.442 -9.897 -17.645 198 HA ALA 25 HA ALA 25 -7.813 -9.973 -16.401 199 HB1 ALA 25 HB1 ALA 25 -8.148 -9.929 -18.853 200 HB2 ALA 25 HB2 ALA 25 -8.890 -8.318 -18.722 201 HB3 ALA 25 HB3 ALA 25 -7.181 -8.550 -18.299 202 H SER 26 H SER 26 -6.590 -8.036 -15.769 203 HA SER 26 HA SER 26 -8.085 -5.594 -15.182 204 HB2 SER 26 HB2 SER 26 -7.334 -5.421 -12.851 205 HB3 SER 26 HB3 SER 26 -8.474 -6.742 -13.098 206 HG SER 26 HG SER 26 -6.759 -8.194 -13.047 207 H GLN 27 H GLN 27 -6.826 -3.746 -14.908 208 HA GLN 27 HA GLN 27 -3.907 -3.898 -14.919 209 HB2 GLN 27 HB2 GLN 27 -3.550 -2.751 -16.998 210 HB3 GLN 27 HB3 GLN 27 -4.462 -4.231 -17.304 211 HG2 GLN 27 HG2 GLN 27 -6.522 -2.965 -17.624 212 HG3 GLN 27 HG3 GLN 27 -5.723 -1.467 -17.166 213 HE21 GLN 27 HE21 GLN 27 -4.925 -0.251 -18.825 214 HE22 GLN 27 HE22 GLN 27 -4.474 -0.891 -20.417 215 H PHE 28 H PHE 28 -2.869 -1.864 -14.495 216 HA PHE 28 HA PHE 28 -4.489 -0.140 -12.791 217 HB2 PHE 28 HB2 PHE 28 -2.391 -0.851 -11.970 218 HB3 PHE 28 HB3 PHE 28 -1.553 -0.403 -13.462 219 HD1 PHE 28 HD1 PHE 28 -0.738 1.788 -13.851 220 HD2 PHE 28 HD2 PHE 28 -3.220 0.992 -10.419 221 HE1 PHE 28 HE1 PHE 28 -0.183 4.034 -12.934 222 HE2 PHE 28 HE2 PHE 28 -2.658 3.234 -9.495 223 HZ PHE 28 HZ PHE 28 -1.139 4.756 -10.748 224 H GLU 29 H GLU 29 -2.724 0.341 -15.876 225 HA GLU 29 HA GLU 29 -3.503 3.184 -15.996 226 HB2 GLU 29 HB2 GLU 29 -2.169 3.306 -17.971 227 HB3 GLU 29 HB3 GLU 29 -1.262 2.473 -16.705 228 HG2 GLU 29 HG2 GLU 29 -1.917 0.272 -17.787 229 HG3 GLU 29 HG3 GLU 29 -2.643 1.192 -19.109 230 H ARG 30 H ARG 30 -4.638 4.068 -17.928 231 HA ARG 30 HA ARG 30 -7.180 2.852 -18.067 232 HB2 ARG 30 HB2 ARG 30 -6.503 5.334 -18.343 233 HB3 ARG 30 HB3 ARG 30 -6.248 4.941 -20.045 234 HG2 ARG 30 HG2 ARG 30 -8.756 3.833 -19.575 235 HG3 ARG 30 HG3 ARG 30 -8.753 5.194 -18.446 236 HD2 ARG 30 HD2 ARG 30 -9.695 6.082 -20.381 237 HD3 ARG 30 HD3 ARG 30 -8.012 6.634 -20.464 238 HE ARG 30 HE ARG 30 -8.388 4.078 -21.817 239 HH11 ARG 30 HH11 ARG 30 -8.895 7.514 -22.383 240 HH12 ARG 30 HH12 ARG 30 -8.982 7.279 -24.111 241 HH21 ARG 30 HH21 ARG 30 -8.802 5.244 -24.976 242 HH22 ARG 30 HH22 ARG 30 -8.568 3.867 -23.912 243 HA PRO 31 HA PRO 31 -6.627 -0.094 -21.449 244 HB2 PRO 31 HB2 PRO 31 -9.644 0.122 -21.348 245 HB3 PRO 31 HB3 PRO 31 -8.638 -1.349 -21.583 246 HG2 PRO 31 HG2 PRO 31 -9.680 -0.777 -19.163 247 HG3 PRO 31 HG3 PRO 31 -7.970 -1.304 -19.307 248 HD2 PRO 31 HD2 PRO 31 -9.069 1.494 -18.946 249 HD3 PRO 31 HD3 PRO 31 -7.654 0.718 -18.175 250 H SER 32 H SER 32 -6.779 -0.170 -23.706 251 HA SER 32 HA SER 32 -8.316 1.742 -25.247 252 HB2 SER 32 HB2 SER 32 -6.300 3.077 -24.567 253 HB3 SER 32 HB3 SER 32 -5.271 1.852 -25.349 254 HG SER 32 HG SER 32 -5.746 3.636 -26.719 255 H GLY 33 H GLY 33 -8.218 1.255 -27.477 256 HA2 GLY 33 HA2 GLY 33 -6.894 -1.116 -28.569 257 HA3 GLY 33 HA3 GLY 33 -8.613 -1.371 -28.254 258 H1 4N2 101 H1 4N2 34 -3.413 -0.031 -4.436 259 H2 4N2 101 H2 4N2 34 -3.427 -2.464 -4.626 260 H3 4N2 101 H3 4N2 34 -1.352 -2.845 -6.053 261 H4 4N2 101 H4 4N2 34 0.147 -0.850 -6.433 262 H5 4N2 101 H5 4N2 34 -1.358 0.900 -5.573 263 H62 4N2 101 H62 4N2 34 0.931 1.605 -5.568 264 H61 4N2 101 H61 4N2 34 0.141 2.233 -4.125 265 HO2 4N2 101 H2O 4N2 34 -0.817 -2.653 -3.489 266 HO3 4N2 101 H3O 4N2 34 -3.142 -1.825 -7.018 267 HO4 4N2 101 H4O 4N2 34 1.178 -1.079 -4.219 268 HO6 4N2 101 H6O 4N2 34 2.188 1.380 -3.591 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -15.990 5.462 -23.751 2 H2 LYS 1 H2 LYS 1 -14.771 6.293 -24.459 3 H3 LYS 1 H3 LYS 1 -15.867 7.080 -23.543 4 HA LYS 1 HA LYS 1 -13.799 6.870 -22.384 5 HB2 LYS 1 HB2 LYS 1 -14.605 5.754 -20.283 6 HB3 LYS 1 HB3 LYS 1 -15.537 7.107 -20.887 7 HG2 LYS 1 HG2 LYS 1 -17.308 5.692 -21.691 8 HG3 LYS 1 HG3 LYS 1 -16.406 4.217 -21.353 9 HD2 LYS 1 HD2 LYS 1 -17.253 6.196 -19.198 10 HD3 LYS 1 HD3 LYS 1 -18.216 4.802 -19.709 11 HE2 LYS 1 HE2 LYS 1 -16.317 3.284 -19.125 12 HE3 LYS 1 HE3 LYS 1 -15.413 4.675 -18.503 13 HZ1 LYS 1 HZ1 LYS 1 -17.170 5.007 -16.863 14 HZ2 LYS 1 HZ2 LYS 1 -18.048 3.767 -17.474 15 HZ3 LYS 1 HZ3 LYS 1 -16.634 3.457 -16.746 16 H LEU 2 H LEU 2 -15.057 3.512 -22.182 17 HA LEU 2 HA LEU 2 -12.257 2.520 -22.350 18 HB2 LEU 2 HB2 LEU 2 -14.635 1.971 -20.591 19 HB3 LEU 2 HB3 LEU 2 -13.647 0.608 -21.005 20 HG LEU 2 HG LEU 2 -11.742 1.413 -19.917 21 HD11 LEU 2 HD11 LEU 2 -11.645 3.756 -20.529 22 HD12 LEU 2 HD12 LEU 2 -13.073 4.109 -19.509 23 HD13 LEU 2 HD13 LEU 2 -11.540 3.572 -18.781 24 HD21 LEU 2 HD21 LEU 2 -13.407 0.533 -18.418 25 HD22 LEU 2 HD22 LEU 2 -12.638 1.897 -17.599 26 HD23 LEU 2 HD23 LEU 2 -14.239 2.100 -18.309 27 HA PRO 3 HA PRO 3 -13.564 -0.292 -25.587 28 HB2 PRO 3 HB2 PRO 3 -11.949 -2.529 -24.623 29 HB3 PRO 3 HB3 PRO 3 -11.657 -1.456 -26.019 30 HG2 PRO 3 HG2 PRO 3 -10.124 -1.457 -23.677 31 HG3 PRO 3 HG3 PRO 3 -10.266 -0.086 -24.814 32 HD2 PRO 3 HD2 PRO 3 -11.719 -0.545 -22.219 33 HD3 PRO 3 HD3 PRO 3 -11.030 0.968 -22.885 34 HA PRO 4 HA PRO 4 -16.780 -3.006 -24.302 35 HB2 PRO 4 HB2 PRO 4 -15.448 -5.281 -25.794 36 HB3 PRO 4 HB3 PRO 4 -17.178 -4.798 -25.781 37 HG2 PRO 4 HG2 PRO 4 -15.621 -4.016 -27.834 38 HG3 PRO 4 HG3 PRO 4 -16.699 -2.813 -27.041 39 HD2 PRO 4 HD2 PRO 4 -13.730 -3.254 -26.590 40 HD3 PRO 4 HD3 PRO 4 -14.617 -1.720 -26.859 41 H GLY 5 H GLY 5 -17.296 -4.034 -22.515 42 HA2 GLY 5 HA2 GLY 5 -17.297 -5.491 -20.730 43 HA3 GLY 5 HA3 GLY 5 -15.826 -6.256 -21.357 44 H TRP 6 H TRP 6 -14.727 -3.195 -21.172 45 HA TRP 6 HA TRP 6 -13.535 -3.609 -18.517 46 HB2 TRP 6 HB2 TRP 6 -13.121 -1.488 -20.617 47 HB3 TRP 6 HB3 TRP 6 -12.244 -1.561 -19.089 48 HD1 TRP 6 HD1 TRP 6 -12.460 -3.116 -22.506 49 HE1 TRP 6 HE1 TRP 6 -10.339 -4.466 -23.012 50 HE3 TRP 6 HE3 TRP 6 -10.361 -3.106 -17.822 51 HZ2 TRP 6 HZ2 TRP 6 -8.282 -5.762 -21.492 52 HZ3 TRP 6 HZ3 TRP 6 -8.258 -4.398 -17.403 53 HH2 TRP 6 HH2 TRP 6 -7.245 -5.753 -19.207 54 H GLU 7 H GLU 7 -13.738 -2.378 -16.724 55 HA GLU 7 HA GLU 7 -15.088 0.217 -16.782 56 HB2 GLU 7 HB2 GLU 7 -16.910 -1.457 -16.379 57 HB3 GLU 7 HB3 GLU 7 -16.065 -1.999 -14.935 58 HG2 GLU 7 HG2 GLU 7 -17.969 -0.501 -14.456 59 HG3 GLU 7 HG3 GLU 7 -16.456 0.135 -13.840 60 H LYS 8 H LYS 8 -14.663 1.487 -14.822 61 HA LYS 8 HA LYS 8 -12.035 1.048 -13.651 62 HB2 LYS 8 HB2 LYS 8 -14.232 3.093 -13.209 63 HB3 LYS 8 HB3 LYS 8 -12.810 3.009 -12.152 64 HG2 LYS 8 HG2 LYS 8 -11.294 3.285 -14.023 65 HG3 LYS 8 HG3 LYS 8 -12.642 3.216 -15.176 66 HD2 LYS 8 HD2 LYS 8 -11.995 5.510 -14.958 67 HD3 LYS 8 HD3 LYS 8 -13.553 5.331 -14.133 68 HE2 LYS 8 HE2 LYS 8 -12.356 5.181 -11.947 69 HE3 LYS 8 HE3 LYS 8 -10.807 5.324 -12.792 70 HZ1 LYS 8 HZ1 LYS 8 -11.543 7.464 -11.908 71 HZ2 LYS 8 HZ2 LYS 8 -11.493 7.536 -13.538 72 HZ3 LYS 8 HZ3 LYS 8 -12.929 7.404 -12.766 73 H ARG 9 H ARG 9 -11.481 0.494 -11.718 74 HA ARG 9 HA ARG 9 -13.366 -0.480 -9.635 75 HB2 ARG 9 HB2 ARG 9 -12.851 -2.308 -11.361 76 HB3 ARG 9 HB3 ARG 9 -11.187 -2.293 -10.774 77 HG2 ARG 9 HG2 ARG 9 -11.906 -3.056 -8.580 78 HG3 ARG 9 HG3 ARG 9 -13.618 -2.762 -8.980 79 HD2 ARG 9 HD2 ARG 9 -13.568 -4.526 -10.671 80 HD3 ARG 9 HD3 ARG 9 -11.832 -4.796 -10.376 81 HE ARG 9 HE ARG 9 -13.155 -5.074 -7.894 82 HH11 ARG 9 HH11 ARG 9 -13.102 -6.847 -10.934 83 HH12 ARG 9 HH12 ARG 9 -13.455 -8.354 -10.140 84 HH21 ARG 9 HH21 ARG 9 -13.626 -7.027 -6.980 85 HH22 ARG 9 HH22 ARG 9 -13.750 -8.451 -7.978 86 H MET 10 H MET 10 -12.065 -1.167 -7.601 87 HA MET 10 HA MET 10 -9.509 0.227 -7.295 88 HB2 MET 10 HB2 MET 10 -10.259 1.782 -5.610 89 HB3 MET 10 HB3 MET 10 -11.074 2.088 -7.143 90 HG2 MET 10 HG2 MET 10 -12.286 0.644 -4.750 91 HG3 MET 10 HG3 MET 10 -12.505 2.339 -5.124 92 HE1 MET 10 HE1 MET 10 -13.006 2.351 -8.349 93 HE2 MET 10 HE2 MET 10 -14.778 2.311 -8.315 94 HE3 MET 10 HE3 MET 10 -13.895 3.307 -7.138 95 H PHE 11 H PHE 11 -8.312 -0.318 -5.616 96 HA PHE 11 HA PHE 11 -8.956 -2.702 -4.035 97 HB2 PHE 11 HB2 PHE 11 -6.592 -0.788 -4.054 98 HB3 PHE 11 HB3 PHE 11 -6.689 -2.223 -3.050 99 HD1 PHE 11 HD1 PHE 11 -6.671 -4.505 -4.065 100 HD2 PHE 11 HD2 PHE 11 -6.003 -0.954 -6.419 101 HE1 PHE 11 HE1 PHE 11 -5.645 -5.881 -5.860 102 HE2 PHE 11 HE2 PHE 11 -4.995 -2.332 -8.215 103 HZ PHE 11 HZ PHE 11 -4.807 -4.798 -7.938 104 H ALA 12 H ALA 12 -8.955 -2.767 -1.715 105 HA ALA 12 HA ALA 12 -10.575 -0.822 -0.440 106 HB1 ALA 12 HB1 ALA 12 -10.162 -2.189 1.570 107 HB2 ALA 12 HB2 ALA 12 -10.477 -3.213 0.158 108 HB3 ALA 12 HB3 ALA 12 -8.812 -3.007 0.756 109 H ASN 13 H ASN 13 -7.143 -0.780 -0.875 110 HA ASN 13 HA ASN 13 -6.577 1.103 1.299 111 HB2 ASN 13 HB2 ASN 13 -4.300 1.067 0.435 112 HB3 ASN 13 HB3 ASN 13 -4.935 -0.574 0.620 113 HD21 ASN 13 HD21 ASN 13 -3.247 -1.271 -0.811 114 H GLY 14 H GLY 14 -8.184 1.555 -1.598 115 HA2 GLY 14 HA2 GLY 14 -9.000 3.597 -2.378 116 HA3 GLY 14 HA3 GLY 14 -7.700 4.475 -1.554 117 H THR 15 H THR 15 -6.617 1.800 -3.509 118 HA THR 15 HA THR 15 -5.532 3.686 -5.540 119 HB THR 15 HB THR 15 -4.948 0.734 -5.139 120 HG1 THR 15 HG1 THR 15 -4.232 1.788 -3.423 121 HG21 THR 15 HG21 THR 15 -3.503 2.867 -6.771 122 HG22 THR 15 HG22 THR 15 -2.895 1.228 -6.446 123 HG23 THR 15 HG23 THR 15 -4.355 1.443 -7.415 124 H VAL 16 H VAL 16 -6.300 3.848 -7.571 125 HA VAL 16 HA VAL 16 -8.629 2.208 -8.357 126 HB VAL 16 HB VAL 16 -7.510 4.837 -9.369 127 HG11 VAL 16 HG11 VAL 16 -8.551 3.742 -11.286 128 HG12 VAL 16 HG12 VAL 16 -9.992 3.347 -10.315 129 HG13 VAL 16 HG13 VAL 16 -9.593 5.036 -10.698 130 HG21 VAL 16 HG21 VAL 16 -10.087 4.144 -7.890 131 HG22 VAL 16 HG22 VAL 16 -8.671 4.943 -7.173 132 HG23 VAL 16 HG23 VAL 16 -9.598 5.761 -8.434 133 H TYR 17 H TYR 17 -8.815 1.072 -10.202 134 HA TYR 17 HA TYR 17 -6.674 0.893 -12.193 135 HB2 TYR 17 HB2 TYR 17 -6.278 -1.447 -11.953 136 HB3 TYR 17 HB3 TYR 17 -5.973 -0.695 -10.416 137 HD1 TYR 17 HD1 TYR 17 -7.632 -0.989 -8.516 138 HD2 TYR 17 HD2 TYR 17 -7.894 -3.209 -12.205 139 HE1 TYR 17 HE1 TYR 17 -8.907 -2.793 -7.356 140 HE2 TYR 17 HE2 TYR 17 -9.225 -4.967 -11.059 141 HH TYR 17 HH TYR 17 -9.883 -5.783 -9.005 142 H TYR 18 H TYR 18 -7.439 -1.082 -13.747 143 HA TYR 18 HA TYR 18 -10.325 -0.649 -14.403 144 HB2 TYR 18 HB2 TYR 18 -7.955 -0.913 -16.288 145 HB3 TYR 18 HB3 TYR 18 -9.654 -0.737 -16.754 146 HD1 TYR 18 HD1 TYR 18 -6.740 0.999 -15.197 147 HD2 TYR 18 HD2 TYR 18 -10.743 1.412 -16.727 148 HE1 TYR 18 HE1 TYR 18 -6.567 3.469 -14.968 149 HE2 TYR 18 HE2 TYR 18 -10.567 3.886 -16.522 150 HH TYR 18 HH TYR 18 -7.642 5.471 -15.211 151 H PHE 19 H PHE 19 -11.521 -2.420 -14.804 152 HA PHE 19 HA PHE 19 -10.200 -5.098 -14.976 153 HB2 PHE 19 HB2 PHE 19 -10.784 -4.884 -12.703 154 HB3 PHE 19 HB3 PHE 19 -12.338 -4.138 -13.064 155 HD1 PHE 19 HD1 PHE 19 -10.444 -7.345 -13.104 156 HD2 PHE 19 HD2 PHE 19 -14.314 -5.485 -13.552 157 HE1 PHE 19 HE1 PHE 19 -11.529 -9.572 -12.994 158 HE2 PHE 19 HE2 PHE 19 -15.393 -7.708 -13.406 159 HZ PHE 19 HZ PHE 19 -14.007 -9.759 -13.148 160 H ASN 20 H ASN 20 -11.125 -6.565 -16.278 161 HA ASN 20 HA ASN 20 -13.402 -5.669 -17.967 162 HB2 ASN 20 HB2 ASN 20 -11.174 -6.160 -19.008 163 HB3 ASN 20 HB3 ASN 20 -11.366 -7.845 -18.514 164 HD21 ASN 20 HD21 ASN 20 -11.493 -6.103 -21.186 165 HD22 ASN 20 HD22 ASN 20 -12.886 -6.804 -21.991 166 H HIS 21 H HIS 21 -15.345 -6.477 -17.437 167 HA HIS 21 HA HIS 21 -15.523 -8.760 -15.618 168 HB2 HIS 21 HB2 HIS 21 -17.633 -8.093 -15.155 169 HB3 HIS 21 HB3 HIS 21 -16.923 -6.555 -15.640 170 HD2 HIS 21 HD2 HIS 21 -17.832 -5.463 -17.962 171 HE1 HIS 21 HE1 HIS 21 -21.063 -8.172 -18.580 172 HE2 HIS 21 HE2 HIS 21 -20.032 -5.965 -19.318 173 H ILE 22 H ILE 22 -15.484 -8.521 -19.006 174 HA ILE 22 HA ILE 22 -17.050 -10.974 -19.527 175 HB ILE 22 HB ILE 22 -15.400 -9.205 -21.370 176 HG12 ILE 22 HG12 ILE 22 -17.310 -7.960 -20.410 177 HG13 ILE 22 HG13 ILE 22 -17.449 -8.205 -22.148 178 HG21 ILE 22 HG21 ILE 22 -17.306 -11.478 -22.018 179 HG22 ILE 22 HG22 ILE 22 -16.714 -10.291 -23.204 180 HG23 ILE 22 HG23 ILE 22 -15.575 -11.363 -22.390 181 HD11 ILE 22 HD11 ILE 22 -19.604 -8.474 -21.016 182 HD12 ILE 22 HD12 ILE 22 -19.122 -9.994 -21.781 183 HD13 ILE 22 HD13 ILE 22 -18.955 -9.788 -20.019 184 H THR 23 H THR 23 -13.649 -9.909 -19.526 185 HA THR 23 HA THR 23 -12.731 -12.685 -20.122 186 HB THR 23 HB THR 23 -10.694 -11.695 -20.907 187 HG1 THR 23 HG1 THR 23 -10.690 -9.321 -20.919 188 HG21 THR 23 HG21 THR 23 -12.924 -9.884 -21.933 189 HG22 THR 23 HG22 THR 23 -11.427 -10.351 -22.760 190 HG23 THR 23 HG23 THR 23 -12.683 -11.567 -22.464 191 H ASN 24 H ASN 24 -13.083 -10.813 -17.405 192 HA ASN 24 HA ASN 24 -12.222 -10.577 -15.409 193 HB2 ASN 24 HB2 ASN 24 -11.663 -12.467 -14.108 194 HB3 ASN 24 HB3 ASN 24 -12.969 -12.886 -15.223 195 HD21 ASN 24 HD21 ASN 24 -9.380 -13.054 -14.978 196 HD22 ASN 24 HD22 ASN 24 -9.279 -14.669 -15.703 197 H ALA 25 H ALA 25 -10.411 -9.854 -17.666 198 HA ALA 25 HA ALA 25 -7.723 -9.980 -16.510 199 HB1 ALA 25 HB1 ALA 25 -7.129 -8.595 -18.448 200 HB2 ALA 25 HB2 ALA 25 -8.114 -9.981 -18.956 201 HB3 ALA 25 HB3 ALA 25 -8.845 -8.363 -18.838 202 H SER 26 H SER 26 -6.484 -8.067 -15.889 203 HA SER 26 HA SER 26 -7.942 -5.590 -15.330 204 HB2 SER 26 HB2 SER 26 -7.218 -5.429 -12.998 205 HB3 SER 26 HB3 SER 26 -8.305 -6.798 -13.249 206 HG SER 26 HG SER 26 -6.498 -7.363 -11.969 207 H GLN 27 H GLN 27 -6.667 -3.758 -15.052 208 HA GLN 27 HA GLN 27 -3.751 -3.922 -15.108 209 HB2 GLN 27 HB2 GLN 27 -3.432 -2.771 -17.193 210 HB3 GLN 27 HB3 GLN 27 -4.330 -4.266 -17.473 211 HG2 GLN 27 HG2 GLN 27 -6.382 -3.091 -17.855 212 HG3 GLN 27 HG3 GLN 27 -5.687 -1.559 -17.339 213 HE21 GLN 27 HE21 GLN 27 -4.425 -0.372 -18.806 214 HE22 GLN 27 HE22 GLN 27 -4.068 -0.928 -20.451 215 H PHE 28 H PHE 28 -2.695 -1.861 -14.701 216 HA PHE 28 HA PHE 28 -4.305 -0.281 -12.867 217 HB2 PHE 28 HB2 PHE 28 -2.185 -1.053 -12.148 218 HB3 PHE 28 HB3 PHE 28 -1.375 -0.430 -13.593 219 HD1 PHE 28 HD1 PHE 28 -3.044 0.588 -10.406 220 HD2 PHE 28 HD2 PHE 28 -0.647 1.816 -13.768 221 HE1 PHE 28 HE1 PHE 28 -2.551 2.744 -9.264 222 HE2 PHE 28 HE2 PHE 28 -0.159 3.982 -12.635 223 HZ PHE 28 HZ PHE 28 -1.108 4.441 -10.373 224 H GLU 29 H GLU 29 -2.547 0.485 -15.894 225 HA GLU 29 HA GLU 29 -3.679 3.235 -15.939 226 HB2 GLU 29 HB2 GLU 29 -2.295 3.621 -17.845 227 HB3 GLU 29 HB3 GLU 29 -1.319 2.913 -16.554 228 HG2 GLU 29 HG2 GLU 29 -1.555 0.665 -17.702 229 HG3 GLU 29 HG3 GLU 29 -2.377 1.480 -19.036 230 H ARG 30 H ARG 30 -4.843 3.941 -18.011 231 HA ARG 30 HA ARG 30 -7.082 2.241 -18.116 232 HB2 ARG 30 HB2 ARG 30 -8.203 3.837 -19.494 233 HB3 ARG 30 HB3 ARG 30 -7.358 4.577 -18.164 234 HG2 ARG 30 HG2 ARG 30 -7.197 6.012 -19.997 235 HG3 ARG 30 HG3 ARG 30 -5.578 5.381 -19.682 236 HD2 ARG 30 HD2 ARG 30 -6.233 5.666 -22.116 237 HD3 ARG 30 HD3 ARG 30 -5.581 4.102 -21.678 238 HE ARG 30 HE ARG 30 -7.544 3.115 -22.364 239 HH11 ARG 30 HH11 ARG 30 -9.519 2.870 -23.048 240 HH12 ARG 30 HH12 ARG 30 -10.677 4.212 -23.018 241 HH21 ARG 30 HH21 ARG 30 -8.443 6.474 -21.764 242 HH22 ARG 30 HH22 ARG 30 -10.072 6.171 -22.331 243 HA PRO 31 HA PRO 31 -6.281 -0.568 -21.331 244 HB2 PRO 31 HB2 PRO 31 -8.709 -1.712 -21.710 245 HB3 PRO 31 HB3 PRO 31 -7.832 -1.828 -20.151 246 HG2 PRO 31 HG2 PRO 31 -10.006 0.150 -20.911 247 HG3 PRO 31 HG3 PRO 31 -9.918 -0.876 -19.441 248 HD2 PRO 31 HD2 PRO 31 -9.093 1.717 -19.445 249 HD3 PRO 31 HD3 PRO 31 -8.240 0.447 -18.508 250 H SER 32 H SER 32 -6.412 -1.061 -23.520 251 HA SER 32 HA SER 32 -7.741 0.962 -25.283 252 HB2 SER 32 HB2 SER 32 -5.791 0.742 -26.740 253 HB3 SER 32 HB3 SER 32 -5.325 1.250 -25.100 254 HG SER 32 HG SER 32 -3.984 -0.426 -25.923 255 H GLY 33 H GLY 33 -7.775 -2.365 -24.591 256 HA2 GLY 33 HA2 GLY 33 -9.701 -3.063 -26.515 257 HA3 GLY 33 HA3 GLY 33 -8.143 -3.515 -27.207 258 H1 4N2 101 H1 4N2 34 -3.583 -0.510 -3.658 259 H2 4N2 101 H2 4N2 34 -4.098 -2.914 -3.583 260 H3 4N2 101 H3 4N2 34 -2.099 -3.825 -4.846 261 H4 4N2 101 H4 4N2 34 -0.215 -2.210 -5.321 262 H5 4N2 101 H5 4N2 34 -1.314 -0.108 -4.691 263 H62 4N2 101 H62 4N2 34 0.348 0.949 -3.158 264 H61 4N2 101 H61 4N2 34 1.057 -0.635 -2.840 265 HO2 4N2 101 H2O 4N2 34 -3.310 -3.687 -1.658 266 HO3 4N2 101 H3O 4N2 34 -3.581 -2.592 -6.029 267 HO4 4N2 101 H4O 4N2 34 -0.663 -3.248 -2.700 268 HO6 4N2 101 H6O 4N2 34 2.150 0.503 -4.543 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -17.067 6.021 -23.366 2 H2 LYS 1 H2 LYS 1 -16.832 4.518 -22.772 3 H3 LYS 1 H3 LYS 1 -16.339 4.889 -24.290 4 HA LYS 1 HA LYS 1 -14.731 6.457 -23.486 5 HB2 LYS 1 HB2 LYS 1 -15.948 7.114 -21.455 6 HB3 LYS 1 HB3 LYS 1 -15.574 5.562 -20.698 7 HG2 LYS 1 HG2 LYS 1 -13.148 6.082 -20.816 8 HG3 LYS 1 HG3 LYS 1 -13.508 7.601 -21.658 9 HD2 LYS 1 HD2 LYS 1 -14.739 8.419 -19.678 10 HD3 LYS 1 HD3 LYS 1 -14.426 6.884 -18.834 11 HE2 LYS 1 HE2 LYS 1 -11.998 7.276 -18.962 12 HE3 LYS 1 HE3 LYS 1 -12.263 8.764 -19.884 13 HZ1 LYS 1 HZ1 LYS 1 -13.186 8.318 -17.098 14 HZ2 LYS 1 HZ2 LYS 1 -11.903 9.234 -17.530 15 HZ3 LYS 1 HZ3 LYS 1 -13.410 9.690 -17.956 16 H LEU 2 H LEU 2 -14.908 3.517 -21.370 17 HA LEU 2 HA LEU 2 -12.281 2.644 -22.293 18 HB2 LEU 2 HB2 LEU 2 -14.351 1.208 -20.574 19 HB3 LEU 2 HB3 LEU 2 -12.724 0.679 -20.885 20 HG LEU 2 HG LEU 2 -12.453 1.466 -18.824 21 HD11 LEU 2 HD11 LEU 2 -10.854 2.663 -20.326 22 HD12 LEU 2 HD12 LEU 2 -11.937 4.070 -20.299 23 HD13 LEU 2 HD13 LEU 2 -11.190 3.498 -18.798 24 HD21 LEU 2 HD21 LEU 2 -14.708 2.343 -18.510 25 HD22 LEU 2 HD22 LEU 2 -13.471 3.381 -17.788 26 HD23 LEU 2 HD23 LEU 2 -14.239 3.866 -19.312 27 HA PRO 3 HA PRO 3 -13.684 -0.013 -25.609 28 HB2 PRO 3 HB2 PRO 3 -11.823 -2.043 -25.611 29 HB3 PRO 3 HB3 PRO 3 -11.485 -0.370 -26.155 30 HG2 PRO 3 HG2 PRO 3 -10.880 -1.630 -23.481 31 HG3 PRO 3 HG3 PRO 3 -9.816 -0.617 -24.487 32 HD2 PRO 3 HD2 PRO 3 -11.251 0.341 -22.366 33 HD3 PRO 3 HD3 PRO 3 -10.886 1.351 -23.789 34 HA PRO 4 HA PRO 4 -16.537 -2.901 -24.361 35 HB2 PRO 4 HB2 PRO 4 -15.251 -5.135 -25.951 36 HB3 PRO 4 HB3 PRO 4 -16.984 -4.671 -25.857 37 HG2 PRO 4 HG2 PRO 4 -15.505 -3.817 -27.943 38 HG3 PRO 4 HG3 PRO 4 -16.576 -2.649 -27.094 39 HD2 PRO 4 HD2 PRO 4 -13.590 -3.043 -26.779 40 HD3 PRO 4 HD3 PRO 4 -14.522 -1.520 -26.927 41 H GLY 5 H GLY 5 -17.054 -3.983 -22.608 42 HA2 GLY 5 HA2 GLY 5 -17.053 -5.566 -20.917 43 HA3 GLY 5 HA3 GLY 5 -15.491 -6.185 -21.479 44 H TRP 6 H TRP 6 -14.576 -3.119 -21.214 45 HA TRP 6 HA TRP 6 -13.447 -3.569 -18.559 46 HB2 TRP 6 HB2 TRP 6 -13.005 -1.471 -20.665 47 HB3 TRP 6 HB3 TRP 6 -12.178 -1.466 -19.104 48 HD1 TRP 6 HD1 TRP 6 -12.263 -3.191 -22.469 49 HE1 TRP 6 HE1 TRP 6 -10.209 -4.688 -22.778 50 HE3 TRP 6 HE3 TRP 6 -10.440 -3.057 -17.678 51 HZ2 TRP 6 HZ2 TRP 6 -8.223 -5.912 -21.110 52 HZ3 TRP 6 HZ3 TRP 6 -8.431 -4.410 -17.078 53 HH2 TRP 6 HH2 TRP 6 -7.341 -5.857 -18.765 54 H GLU 7 H GLU 7 -13.688 -2.484 -16.736 55 HA GLU 7 HA GLU 7 -15.459 -0.103 -16.483 56 HB2 GLU 7 HB2 GLU 7 -16.785 -2.215 -16.178 57 HB3 GLU 7 HB3 GLU 7 -15.674 -2.696 -14.892 58 HG2 GLU 7 HG2 GLU 7 -16.368 -0.666 -13.591 59 HG3 GLU 7 HG3 GLU 7 -17.482 -0.240 -14.892 60 H LYS 8 H LYS 8 -14.947 1.220 -14.650 61 HA LYS 8 HA LYS 8 -12.267 0.961 -13.537 62 HB2 LYS 8 HB2 LYS 8 -14.529 2.947 -13.167 63 HB3 LYS 8 HB3 LYS 8 -13.130 2.936 -12.082 64 HG2 LYS 8 HG2 LYS 8 -11.589 3.166 -13.964 65 HG3 LYS 8 HG3 LYS 8 -12.949 3.134 -15.105 66 HD2 LYS 8 HD2 LYS 8 -12.267 5.419 -14.839 67 HD3 LYS 8 HD3 LYS 8 -13.820 5.241 -14.003 68 HE2 LYS 8 HE2 LYS 8 -12.600 5.011 -11.834 69 HE3 LYS 8 HE3 LYS 8 -11.059 5.164 -12.692 70 HZ1 LYS 8 HZ1 LYS 8 -11.770 7.279 -11.726 71 HZ2 LYS 8 HZ2 LYS 8 -11.723 7.408 -13.351 72 HZ3 LYS 8 HZ3 LYS 8 -13.160 7.263 -12.580 73 H ARG 9 H ARG 9 -11.637 0.558 -11.605 74 HA ARG 9 HA ARG 9 -13.436 -0.269 -9.374 75 HB2 ARG 9 HB2 ARG 9 -11.054 -1.890 -10.367 76 HB3 ARG 9 HB3 ARG 9 -11.962 -2.257 -8.895 77 HG2 ARG 9 HG2 ARG 9 -13.010 -2.320 -11.666 78 HG3 ARG 9 HG3 ARG 9 -12.532 -3.751 -10.738 79 HD2 ARG 9 HD2 ARG 9 -14.334 -3.385 -9.129 80 HD3 ARG 9 HD3 ARG 9 -14.775 -1.855 -9.902 81 HE ARG 9 HE ARG 9 -15.907 -2.953 -11.576 82 HH11 ARG 9 HH11 ARG 9 -17.008 -4.546 -12.435 83 HH12 ARG 9 HH12 ARG 9 -16.673 -6.226 -12.021 84 HH21 ARG 9 HH21 ARG 9 -14.145 -5.438 -9.819 85 HH22 ARG 9 HH22 ARG 9 -15.046 -6.711 -10.601 86 H MET 10 H MET 10 -11.941 -0.934 -7.582 87 HA MET 10 HA MET 10 -9.636 0.800 -7.104 88 HB2 MET 10 HB2 MET 10 -11.577 2.364 -6.816 89 HB3 MET 10 HB3 MET 10 -12.152 1.344 -5.480 90 HG2 MET 10 HG2 MET 10 -9.974 1.783 -4.308 91 HG3 MET 10 HG3 MET 10 -9.528 2.886 -5.605 92 HE1 MET 10 HE1 MET 10 -11.906 5.916 -5.092 93 HE2 MET 10 HE2 MET 10 -10.425 5.321 -5.869 94 HE3 MET 10 HE3 MET 10 -12.003 4.611 -6.292 95 H PHE 11 H PHE 11 -8.309 0.044 -5.568 96 HA PHE 11 HA PHE 11 -8.857 -2.460 -4.150 97 HB2 PHE 11 HB2 PHE 11 -6.489 -0.547 -4.161 98 HB3 PHE 11 HB3 PHE 11 -6.526 -2.061 -3.280 99 HD1 PHE 11 HD1 PHE 11 -6.819 -4.257 -4.557 100 HD2 PHE 11 HD2 PHE 11 -5.810 -0.528 -6.474 101 HE1 PHE 11 HE1 PHE 11 -5.913 -5.498 -6.508 102 HE2 PHE 11 HE2 PHE 11 -4.903 -1.771 -8.417 103 HZ PHE 11 HZ PHE 11 -4.955 -4.258 -8.441 104 H ALA 12 H ALA 12 -8.586 -2.713 -1.824 105 HA ALA 12 HA ALA 12 -10.158 -0.965 -0.254 106 HB1 ALA 12 HB1 ALA 12 -8.118 -3.067 0.603 107 HB2 ALA 12 HB2 ALA 12 -9.422 -2.401 1.611 108 HB3 ALA 12 HB3 ALA 12 -9.821 -3.371 0.181 109 H ASN 13 H ASN 13 -6.789 -0.663 -1.023 110 HA ASN 13 HA ASN 13 -6.177 1.185 1.182 111 HB2 ASN 13 HB2 ASN 13 -3.942 1.243 0.221 112 HB3 ASN 13 HB3 ASN 13 -4.509 -0.419 0.423 113 HD21 ASN 13 HD21 ASN 13 -3.106 -1.290 -1.108 114 H GLY 14 H GLY 14 -7.952 1.633 -1.604 115 HA2 GLY 14 HA2 GLY 14 -8.867 3.652 -2.308 116 HA3 GLY 14 HA3 GLY 14 -7.564 4.561 -1.527 117 H THR 15 H THR 15 -6.410 2.013 -3.572 118 HA THR 15 HA THR 15 -5.543 3.987 -5.623 119 HB THR 15 HB THR 15 -4.739 1.080 -5.253 120 HG1 THR 15 HG1 THR 15 -4.020 2.141 -3.567 121 HG21 THR 15 HG21 THR 15 -2.753 1.727 -6.606 122 HG22 THR 15 HG22 THR 15 -4.251 1.801 -7.537 123 HG23 THR 15 HG23 THR 15 -3.508 3.304 -6.935 124 H VAL 16 H VAL 16 -6.132 3.914 -7.781 125 HA VAL 16 HA VAL 16 -8.608 2.410 -8.372 126 HB VAL 16 HB VAL 16 -7.259 4.818 -9.616 127 HG11 VAL 16 HG11 VAL 16 -9.254 5.099 -11.037 128 HG12 VAL 16 HG12 VAL 16 -8.340 3.660 -11.480 129 HG13 VAL 16 HG13 VAL 16 -9.843 3.499 -10.538 130 HG21 VAL 16 HG21 VAL 16 -9.920 4.451 -8.171 131 HG22 VAL 16 HG22 VAL 16 -8.459 5.190 -7.476 132 HG23 VAL 16 HG23 VAL 16 -9.287 5.980 -8.821 133 H TYR 17 H TYR 17 -8.958 1.132 -10.141 134 HA TYR 17 HA TYR 17 -6.841 0.618 -12.098 135 HB2 TYR 17 HB2 TYR 17 -6.646 -1.724 -11.753 136 HB3 TYR 17 HB3 TYR 17 -6.289 -0.934 -10.249 137 HD1 TYR 17 HD1 TYR 17 -7.895 -1.087 -8.322 138 HD2 TYR 17 HD2 TYR 17 -8.502 -3.302 -11.976 139 HE1 TYR 17 HE1 TYR 17 -9.277 -2.764 -7.095 140 HE2 TYR 17 HE2 TYR 17 -9.889 -4.949 -10.754 141 HH TYR 17 HH TYR 17 -10.631 -5.642 -8.702 142 H TYR 18 H TYR 18 -7.698 -1.248 -13.624 143 HA TYR 18 HA TYR 18 -10.593 -0.824 -14.217 144 HB2 TYR 18 HB2 TYR 18 -8.307 -1.039 -16.207 145 HB3 TYR 18 HB3 TYR 18 -10.025 -0.867 -16.591 146 HD1 TYR 18 HD1 TYR 18 -7.056 0.861 -15.145 147 HD2 TYR 18 HD2 TYR 18 -11.105 1.303 -16.571 148 HE1 TYR 18 HE1 TYR 18 -6.836 3.329 -14.988 149 HE2 TYR 18 HE2 TYR 18 -10.868 3.780 -16.437 150 HH TYR 18 HH TYR 18 -7.895 5.337 -15.215 151 H PHE 19 H PHE 19 -11.746 -2.612 -14.726 152 HA PHE 19 HA PHE 19 -10.386 -5.277 -14.872 153 HB2 PHE 19 HB2 PHE 19 -11.180 -5.026 -12.630 154 HB3 PHE 19 HB3 PHE 19 -12.735 -4.392 -13.173 155 HD1 PHE 19 HD1 PHE 19 -10.668 -7.461 -12.846 156 HD2 PHE 19 HD2 PHE 19 -14.534 -5.875 -13.927 157 HE1 PHE 19 HE1 PHE 19 -11.633 -9.744 -12.754 158 HE2 PHE 19 HE2 PHE 19 -15.505 -8.146 -13.767 159 HZ PHE 19 HZ PHE 19 -14.061 -10.087 -13.196 160 H ASN 20 H ASN 20 -11.226 -6.726 -16.289 161 HA ASN 20 HA ASN 20 -13.402 -5.783 -18.079 162 HB2 ASN 20 HB2 ASN 20 -11.149 -6.288 -19.022 163 HB3 ASN 20 HB3 ASN 20 -11.370 -7.978 -18.546 164 HD21 ASN 20 HD21 ASN 20 -11.421 -6.163 -21.198 165 HD22 ASN 20 HD22 ASN 20 -12.758 -6.897 -22.074 166 H HIS 21 H HIS 21 -15.384 -6.587 -17.718 167 HA HIS 21 HA HIS 21 -15.756 -8.842 -15.915 168 HB2 HIS 21 HB2 HIS 21 -17.933 -8.201 -15.758 169 HB3 HIS 21 HB3 HIS 21 -17.166 -6.666 -16.156 170 HD2 HIS 21 HD2 HIS 21 -17.911 -5.493 -18.450 171 HE1 HIS 21 HE1 HIS 21 -20.742 -8.408 -19.732 172 HE2 HIS 21 HE2 HIS 21 -19.826 -6.073 -20.159 173 H ILE 22 H ILE 22 -15.393 -8.678 -19.301 174 HA ILE 22 HA ILE 22 -16.938 -11.127 -19.897 175 HB ILE 22 HB ILE 22 -15.257 -9.333 -21.695 176 HG12 ILE 22 HG12 ILE 22 -18.283 -9.396 -21.247 177 HG13 ILE 22 HG13 ILE 22 -17.181 -8.126 -20.686 178 HG21 ILE 22 HG21 ILE 22 -17.286 -11.494 -22.416 179 HG22 ILE 22 HG22 ILE 22 -16.432 -10.439 -23.564 180 HG23 ILE 22 HG23 ILE 22 -15.523 -11.608 -22.628 181 HD11 ILE 22 HD11 ILE 22 -18.253 -7.265 -22.586 182 HD12 ILE 22 HD12 ILE 22 -16.590 -7.641 -23.082 183 HD13 ILE 22 HD13 ILE 22 -17.933 -8.713 -23.555 184 H THR 23 H THR 23 -13.553 -10.025 -19.788 185 HA THR 23 HA THR 23 -12.570 -12.781 -20.359 186 HB THR 23 HB THR 23 -10.492 -11.755 -20.986 187 HG1 THR 23 HG1 THR 23 -10.575 -9.358 -20.969 188 HG21 THR 23 HG21 THR 23 -12.376 -11.624 -22.670 189 HG22 THR 23 HG22 THR 23 -12.676 -9.956 -22.128 190 HG23 THR 23 HG23 THR 23 -11.121 -10.388 -22.863 191 H ASN 24 H ASN 24 -13.055 -10.867 -17.644 192 HA ASN 24 HA ASN 24 -12.381 -10.819 -15.535 193 HB2 ASN 24 HB2 ASN 24 -11.180 -13.574 -15.929 194 HB3 ASN 24 HB3 ASN 24 -11.670 -12.823 -14.403 195 HD21 ASN 24 HD21 ASN 24 -14.031 -12.353 -14.125 196 HD22 ASN 24 HD22 ASN 24 -15.168 -13.420 -14.953 197 H ALA 25 H ALA 25 -10.400 -10.011 -17.766 198 HA ALA 25 HA ALA 25 -7.800 -10.076 -16.466 199 HB1 ALA 25 HB1 ALA 25 -8.850 -8.386 -18.776 200 HB2 ALA 25 HB2 ALA 25 -7.147 -8.610 -18.325 201 HB3 ALA 25 HB3 ALA 25 -8.090 -9.988 -18.923 202 H SER 26 H SER 26 -6.605 -8.130 -15.803 203 HA SER 26 HA SER 26 -8.117 -5.704 -15.236 204 HB2 SER 26 HB2 SER 26 -7.455 -5.518 -12.885 205 HB3 SER 26 HB3 SER 26 -8.547 -6.873 -13.158 206 HG SER 26 HG SER 26 -6.794 -8.275 -13.056 207 H GLN 27 H GLN 27 -6.864 -3.854 -14.907 208 HA GLN 27 HA GLN 27 -3.941 -4.008 -14.947 209 HB2 GLN 27 HB2 GLN 27 -3.621 -2.804 -16.997 210 HB3 GLN 27 HB3 GLN 27 -4.530 -4.281 -17.327 211 HG2 GLN 27 HG2 GLN 27 -6.582 -3.050 -17.639 212 HG3 GLN 27 HG3 GLN 27 -5.851 -1.559 -17.067 213 HE21 GLN 27 HE21 GLN 27 -4.569 -0.689 -20.234 214 HE22 GLN 27 HE22 GLN 27 -5.031 -0.220 -18.589 215 H PHE 28 H PHE 28 -2.899 -1.934 -14.555 216 HA PHE 28 HA PHE 28 -4.495 -0.319 -12.693 217 HB2 PHE 28 HB2 PHE 28 -2.389 -1.040 -11.913 218 HB3 PHE 28 HB3 PHE 28 -1.570 -0.574 -13.411 219 HD1 PHE 28 HD1 PHE 28 -0.699 1.601 -13.752 220 HD2 PHE 28 HD2 PHE 28 -3.217 0.809 -10.342 221 HE1 PHE 28 HE1 PHE 28 -0.116 3.825 -12.809 222 HE2 PHE 28 HE2 PHE 28 -2.626 3.031 -9.394 223 HZ PHE 28 HZ PHE 28 -1.075 4.540 -10.622 224 H GLU 29 H GLU 29 -2.694 0.269 -15.718 225 HA GLU 29 HA GLU 29 -3.529 3.086 -15.871 226 HB2 GLU 29 HB2 GLU 29 -2.270 3.152 -17.910 227 HB3 GLU 29 HB3 GLU 29 -1.296 2.462 -16.625 228 HG2 GLU 29 HG2 GLU 29 -2.748 0.647 -18.590 229 HG3 GLU 29 HG3 GLU 29 -1.271 1.465 -19.057 230 H ARG 30 H ARG 30 -4.545 3.846 -18.037 231 HA ARG 30 HA ARG 30 -7.169 2.658 -18.014 232 HB2 ARG 30 HB2 ARG 30 -6.455 5.163 -18.283 233 HB3 ARG 30 HB3 ARG 30 -6.293 4.773 -19.994 234 HG2 ARG 30 HG2 ARG 30 -8.814 3.719 -19.327 235 HG3 ARG 30 HG3 ARG 30 -8.684 5.141 -18.289 236 HD2 ARG 30 HD2 ARG 30 -9.624 6.130 -20.071 237 HD3 ARG 30 HD3 ARG 30 -7.943 6.312 -20.591 238 HE ARG 30 HE ARG 30 -8.620 3.872 -21.670 239 HH11 ARG 30 HH11 ARG 30 -11.067 4.343 -23.986 240 HH12 ARG 30 HH12 ARG 30 -9.821 3.278 -23.325 241 HH21 ARG 30 HH21 ARG 30 -11.232 6.393 -23.291 242 HH22 ARG 30 HH22 ARG 30 -10.288 6.963 -21.935 243 HA PRO 31 HA PRO 31 -6.414 -0.087 -21.526 244 HB2 PRO 31 HB2 PRO 31 -8.956 -1.044 -21.954 245 HB3 PRO 31 HB3 PRO 31 -7.895 -1.595 -20.620 246 HG2 PRO 31 HG2 PRO 31 -10.059 0.528 -20.513 247 HG3 PRO 31 HG3 PRO 31 -9.810 -0.850 -19.399 248 HD2 PRO 31 HD2 PRO 31 -8.909 1.610 -18.786 249 HD3 PRO 31 HD3 PRO 31 -7.906 0.173 -18.418 250 H SER 32 H SER 32 -6.258 0.345 -23.635 251 HA SER 32 HA SER 32 -6.131 1.632 -25.462 252 HB2 SER 32 HB2 SER 32 -8.251 0.455 -25.887 253 HB3 SER 32 HB3 SER 32 -9.142 1.860 -25.251 254 HG SER 32 HG SER 32 -8.105 3.109 -26.871 255 H GLY 33 H GLY 33 -5.781 3.079 -22.945 256 HA2 GLY 33 HA2 GLY 33 -6.823 5.760 -23.091 257 HA3 GLY 33 HA3 GLY 33 -5.419 5.222 -22.167 258 H1 4N2 101 H1 4N2 34 -3.358 -0.352 -3.912 259 H2 4N2 101 H2 4N2 34 -4.060 -2.708 -3.885 260 H3 4N2 101 H3 4N2 34 -2.153 -3.756 -5.191 261 H4 4N2 101 H4 4N2 34 -0.148 -2.283 -5.655 262 H5 4N2 101 H5 4N2 34 -1.032 -0.123 -4.968 263 H62 4N2 101 H62 4N2 34 1.169 -0.776 -2.957 264 H61 4N2 101 H61 4N2 34 1.471 -0.575 -4.684 265 HO2 4N2 101 H2O 4N2 34 -1.630 -3.427 -2.553 266 HO3 4N2 101 H3O 4N2 34 -3.540 -2.370 -6.327 267 HO4 4N2 101 H4O 4N2 34 0.316 -3.917 -4.252 268 HO6 4N2 101 H6O 4N2 34 1.768 1.389 -3.473 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -16.286 4.552 -24.790 2 H2 LYS 1 H2 LYS 1 -17.123 5.663 -23.935 3 H3 LYS 1 H3 LYS 1 -16.849 4.184 -23.296 4 HA LYS 1 HA LYS 1 -14.808 6.213 -23.927 5 HB2 LYS 1 HB2 LYS 1 -16.181 6.841 -21.987 6 HB3 LYS 1 HB3 LYS 1 -15.762 5.329 -21.174 7 HG2 LYS 1 HG2 LYS 1 -13.381 5.992 -21.115 8 HG3 LYS 1 HG3 LYS 1 -13.733 7.413 -22.106 9 HD2 LYS 1 HD2 LYS 1 -13.458 8.102 -19.816 10 HD3 LYS 1 HD3 LYS 1 -15.146 8.338 -20.287 11 HE2 LYS 1 HE2 LYS 1 -15.749 6.202 -19.136 12 HE3 LYS 1 HE3 LYS 1 -14.054 5.982 -18.673 13 HZ1 LYS 1 HZ1 LYS 1 -14.211 8.057 -17.402 14 HZ2 LYS 1 HZ2 LYS 1 -15.773 8.258 -17.837 15 HZ3 LYS 1 HZ3 LYS 1 -15.348 7.002 -16.887 16 H LEU 2 H LEU 2 -14.949 3.323 -21.744 17 HA LEU 2 HA LEU 2 -12.262 2.504 -22.550 18 HB2 LEU 2 HB2 LEU 2 -14.381 1.056 -20.897 19 HB3 LEU 2 HB3 LEU 2 -12.737 0.545 -21.133 20 HG LEU 2 HG LEU 2 -12.555 1.350 -19.073 21 HD11 LEU 2 HD11 LEU 2 -10.919 2.560 -20.521 22 HD12 LEU 2 HD12 LEU 2 -12.027 3.949 -20.548 23 HD13 LEU 2 HD13 LEU 2 -11.328 3.400 -19.011 24 HD21 LEU 2 HD21 LEU 2 -14.831 2.182 -18.848 25 HD22 LEU 2 HD22 LEU 2 -13.646 3.262 -18.097 26 HD23 LEU 2 HD23 LEU 2 -14.371 3.703 -19.658 27 HA PRO 3 HA PRO 3 -13.538 -0.315 -25.816 28 HB2 PRO 3 HB2 PRO 3 -11.669 -2.327 -25.677 29 HB3 PRO 3 HB3 PRO 3 -11.325 -0.680 -26.291 30 HG2 PRO 3 HG2 PRO 3 -10.768 -1.816 -23.552 31 HG3 PRO 3 HG3 PRO 3 -9.697 -0.832 -24.580 32 HD2 PRO 3 HD2 PRO 3 -11.206 0.172 -22.518 33 HD3 PRO 3 HD3 PRO 3 -10.780 1.152 -23.944 34 HA PRO 4 HA PRO 4 -16.415 -3.120 -24.466 35 HB2 PRO 4 HB2 PRO 4 -15.129 -5.442 -25.923 36 HB3 PRO 4 HB3 PRO 4 -16.857 -4.955 -25.880 37 HG2 PRO 4 HG2 PRO 4 -15.340 -4.219 -27.981 38 HG3 PRO 4 HG3 PRO 4 -16.410 -3.000 -27.205 39 HD2 PRO 4 HD2 PRO 4 -13.433 -3.410 -26.824 40 HD3 PRO 4 HD3 PRO 4 -14.345 -1.888 -27.066 41 H GLY 5 H GLY 5 -16.966 -4.089 -22.661 42 HA2 GLY 5 HA2 GLY 5 -17.018 -5.564 -20.880 43 HA3 GLY 5 HA3 GLY 5 -15.479 -6.271 -21.406 44 H TRP 6 H TRP 6 -14.467 -3.224 -21.302 45 HA TRP 6 HA TRP 6 -13.363 -3.532 -18.609 46 HB2 TRP 6 HB2 TRP 6 -12.872 -1.580 -20.846 47 HB3 TRP 6 HB3 TRP 6 -12.047 -1.499 -19.286 48 HD1 TRP 6 HD1 TRP 6 -12.173 -3.403 -22.551 49 HE1 TRP 6 HE1 TRP 6 -10.150 -4.956 -22.784 50 HE3 TRP 6 HE3 TRP 6 -10.309 -3.019 -17.788 51 HZ2 TRP 6 HZ2 TRP 6 -8.206 -6.146 -21.051 52 HZ3 TRP 6 HZ3 TRP 6 -8.330 -4.377 -17.122 53 HH2 TRP 6 HH2 TRP 6 -7.293 -5.960 -18.720 54 H GLU 7 H GLU 7 -13.705 -2.370 -16.839 55 HA GLU 7 HA GLU 7 -15.098 0.236 -16.878 56 HB2 GLU 7 HB2 GLU 7 -16.860 -1.513 -16.681 57 HB3 GLU 7 HB3 GLU 7 -16.068 -2.146 -15.231 58 HG2 GLU 7 HG2 GLU 7 -16.571 -0.130 -13.996 59 HG3 GLU 7 HG3 GLU 7 -17.026 0.730 -15.471 60 H LYS 8 H LYS 8 -14.800 1.431 -14.828 61 HA LYS 8 HA LYS 8 -12.210 0.999 -13.601 62 HB2 LYS 8 HB2 LYS 8 -14.458 2.974 -13.093 63 HB3 LYS 8 HB3 LYS 8 -13.032 2.876 -12.043 64 HG2 LYS 8 HG2 LYS 8 -11.529 3.252 -13.927 65 HG3 LYS 8 HG3 LYS 8 -12.903 3.254 -15.050 66 HD2 LYS 8 HD2 LYS 8 -12.301 5.535 -14.708 67 HD3 LYS 8 HD3 LYS 8 -13.800 5.283 -13.796 68 HE2 LYS 8 HE2 LYS 8 -12.432 4.965 -11.714 69 HE3 LYS 8 HE3 LYS 8 -10.962 5.236 -12.661 70 HZ1 LYS 8 HZ1 LYS 8 -13.139 7.226 -12.281 71 HZ2 LYS 8 HZ2 LYS 8 -11.690 7.263 -11.533 72 HZ3 LYS 8 HZ3 LYS 8 -11.776 7.482 -13.146 73 H ARG 9 H ARG 9 -11.682 0.461 -11.659 74 HA ARG 9 HA ARG 9 -13.563 -0.575 -9.618 75 HB2 ARG 9 HB2 ARG 9 -12.986 -2.397 -11.340 76 HB3 ARG 9 HB3 ARG 9 -11.344 -2.369 -10.699 77 HG2 ARG 9 HG2 ARG 9 -12.131 -3.138 -8.531 78 HG3 ARG 9 HG3 ARG 9 -13.830 -2.837 -8.978 79 HD2 ARG 9 HD2 ARG 9 -13.754 -4.601 -10.660 80 HD3 ARG 9 HD3 ARG 9 -12.025 -4.879 -10.337 81 HE ARG 9 HE ARG 9 -13.401 -5.151 -7.880 82 HH11 ARG 9 HH11 ARG 9 -13.888 -7.106 -6.976 83 HH12 ARG 9 HH12 ARG 9 -13.983 -8.531 -7.975 84 HH21 ARG 9 HH21 ARG 9 -13.268 -6.927 -10.915 85 HH22 ARG 9 HH22 ARG 9 -13.638 -8.434 -10.130 86 H MET 10 H MET 10 -12.239 -1.262 -7.570 87 HA MET 10 HA MET 10 -9.808 0.384 -7.192 88 HB2 MET 10 HB2 MET 10 -11.703 1.967 -7.132 89 HB3 MET 10 HB3 MET 10 -12.477 1.004 -5.859 90 HG2 MET 10 HG2 MET 10 -10.638 1.522 -4.325 91 HG3 MET 10 HG3 MET 10 -9.785 2.395 -5.609 92 HE1 MET 10 HE1 MET 10 -10.347 3.604 -2.738 93 HE2 MET 10 HE2 MET 10 -9.510 4.495 -4.036 94 HE3 MET 10 HE3 MET 10 -10.853 5.256 -3.156 95 H PHE 11 H PHE 11 -8.565 -0.198 -5.545 96 HA PHE 11 HA PHE 11 -9.227 -2.550 -3.889 97 HB2 PHE 11 HB2 PHE 11 -6.725 -0.851 -4.193 98 HB3 PHE 11 HB3 PHE 11 -6.855 -2.218 -3.104 99 HD1 PHE 11 HD1 PHE 11 -7.167 -4.543 -3.989 100 HD2 PHE 11 HD2 PHE 11 -6.289 -1.196 -6.564 101 HE1 PHE 11 HE1 PHE 11 -6.407 -6.104 -5.766 102 HE2 PHE 11 HE2 PHE 11 -5.543 -2.760 -8.340 103 HZ PHE 11 HZ PHE 11 -5.594 -5.216 -7.943 104 H ALA 12 H ALA 12 -9.234 -2.567 -1.627 105 HA ALA 12 HA ALA 12 -10.375 -0.346 -0.274 106 HB1 ALA 12 HB1 ALA 12 -10.727 -2.713 0.326 107 HB2 ALA 12 HB2 ALA 12 -9.024 -2.849 0.829 108 HB3 ALA 12 HB3 ALA 12 -10.135 -1.782 1.714 109 H ASN 13 H ASN 13 -7.039 -0.952 -0.933 110 HA ASN 13 HA ASN 13 -5.963 0.688 1.228 111 HB2 ASN 13 HB2 ASN 13 -3.824 0.305 0.177 112 HB3 ASN 13 HB3 ASN 13 -4.730 -1.212 0.264 113 HD21 ASN 13 HD21 ASN 13 -3.288 -2.045 -1.350 114 H GLY 14 H GLY 14 -7.678 1.574 -1.520 115 HA2 GLY 14 HA2 GLY 14 -8.201 3.848 -1.969 116 HA3 GLY 14 HA3 GLY 14 -6.593 4.353 -1.438 117 H THR 15 H THR 15 -6.280 1.652 -3.509 118 HA THR 15 HA THR 15 -5.321 3.424 -5.684 119 HB THR 15 HB THR 15 -5.011 0.420 -5.398 120 HG1 THR 15 HG1 THR 15 -3.996 1.324 -3.742 121 HG21 THR 15 HG21 THR 15 -3.522 2.463 -7.104 122 HG22 THR 15 HG22 THR 15 -3.081 0.752 -6.918 123 HG23 THR 15 HG23 THR 15 -4.602 1.183 -7.706 124 H VAL 16 H VAL 16 -6.380 3.772 -7.541 125 HA VAL 16 HA VAL 16 -8.782 2.172 -8.243 126 HB VAL 16 HB VAL 16 -7.755 4.875 -9.151 127 HG11 VAL 16 HG11 VAL 16 -9.888 5.105 -10.390 128 HG12 VAL 16 HG12 VAL 16 -8.842 3.872 -11.091 129 HG13 VAL 16 HG13 VAL 16 -10.238 3.385 -10.097 130 HG21 VAL 16 HG21 VAL 16 -10.265 4.033 -7.634 131 HG22 VAL 16 HG22 VAL 16 -8.839 4.808 -6.909 132 HG23 VAL 16 HG23 VAL 16 -9.821 5.694 -8.080 133 H TYR 17 H TYR 17 -9.039 1.120 -10.157 134 HA TYR 17 HA TYR 17 -6.898 0.983 -12.167 135 HB2 TYR 17 HB2 TYR 17 -6.473 -1.344 -11.922 136 HB3 TYR 17 HB3 TYR 17 -6.214 -0.604 -10.370 137 HD1 TYR 17 HD1 TYR 17 -8.001 -0.889 -8.539 138 HD2 TYR 17 HD2 TYR 17 -7.984 -3.166 -12.203 139 HE1 TYR 17 HE1 TYR 17 -9.268 -2.723 -7.420 140 HE2 TYR 17 HE2 TYR 17 -9.313 -4.955 -11.103 141 HH TYR 17 HH TYR 17 -9.992 -5.789 -9.058 142 H TYR 18 H TYR 18 -7.624 -0.979 -13.745 143 HA TYR 18 HA TYR 18 -10.529 -0.644 -14.364 144 HB2 TYR 18 HB2 TYR 18 -8.218 -0.852 -16.321 145 HB3 TYR 18 HB3 TYR 18 -9.937 -0.709 -16.725 146 HD1 TYR 18 HD1 TYR 18 -11.088 1.441 -16.613 147 HD2 TYR 18 HD2 TYR 18 -6.982 1.068 -15.338 148 HE1 TYR 18 HE1 TYR 18 -10.909 3.915 -16.452 149 HE2 TYR 18 HE2 TYR 18 -6.818 3.548 -15.148 150 HH TYR 18 HH TYR 18 -9.571 5.690 -15.921 151 H PHE 19 H PHE 19 -11.663 -2.434 -14.798 152 HA PHE 19 HA PHE 19 -10.290 -5.086 -14.918 153 HB2 PHE 19 HB2 PHE 19 -10.930 -4.868 -12.667 154 HB3 PHE 19 HB3 PHE 19 -12.479 -4.134 -13.060 155 HD1 PHE 19 HD1 PHE 19 -10.562 -7.314 -13.009 156 HD2 PHE 19 HD2 PHE 19 -14.443 -5.515 -13.615 157 HE1 PHE 19 HE1 PHE 19 -11.622 -9.550 -12.892 158 HE2 PHE 19 HE2 PHE 19 -15.495 -7.745 -13.449 159 HZ PHE 19 HZ PHE 19 -14.091 -9.774 -13.115 160 H ASN 20 H ASN 20 -11.164 -6.585 -16.226 161 HA ASN 20 HA ASN 20 -13.363 -5.711 -18.013 162 HB2 ASN 20 HB2 ASN 20 -11.127 -6.302 -18.958 163 HB3 ASN 20 HB3 ASN 20 -11.381 -7.964 -18.411 164 HD21 ASN 20 HD21 ASN 20 -11.433 -6.256 -21.130 165 HD22 ASN 20 HD22 ASN 20 -12.792 -6.994 -21.961 166 H HIS 21 H HIS 21 -15.336 -6.435 -17.540 167 HA HIS 21 HA HIS 21 -15.714 -8.602 -15.636 168 HB2 HIS 21 HB2 HIS 21 -17.853 -7.869 -15.427 169 HB3 HIS 21 HB3 HIS 21 -17.059 -6.386 -15.943 170 HD2 HIS 21 HD2 HIS 21 -17.832 -5.328 -18.284 171 HE1 HIS 21 HE1 HIS 21 -20.813 -8.202 -19.292 172 HE2 HIS 21 HE2 HIS 21 -19.823 -5.936 -19.894 173 H ILE 22 H ILE 22 -15.432 -8.585 -19.033 174 HA ILE 22 HA ILE 22 -17.044 -11.025 -19.488 175 HB ILE 22 HB ILE 22 -15.389 -9.323 -21.400 176 HG12 ILE 22 HG12 ILE 22 -18.398 -9.343 -20.843 177 HG13 ILE 22 HG13 ILE 22 -17.265 -8.052 -20.405 178 HG21 ILE 22 HG21 ILE 22 -16.617 -10.495 -23.195 179 HG22 ILE 22 HG22 ILE 22 -15.697 -11.634 -22.235 180 HG23 ILE 22 HG23 ILE 22 -17.451 -11.495 -21.985 181 HD11 ILE 22 HD11 ILE 22 -16.783 -7.718 -22.858 182 HD12 ILE 22 HD12 ILE 22 -18.159 -8.800 -23.197 183 HD13 ILE 22 HD13 ILE 22 -18.416 -7.291 -22.305 184 H THR 23 H THR 23 -13.634 -9.983 -19.517 185 HA THR 23 HA THR 23 -12.731 -12.777 -20.036 186 HB THR 23 HB THR 23 -10.670 -11.823 -20.799 187 HG1 THR 23 HG1 THR 23 -10.686 -9.432 -20.865 188 HG21 THR 23 HG21 THR 23 -11.362 -10.510 -22.693 189 HG22 THR 23 HG22 THR 23 -12.626 -11.716 -22.394 190 HG23 THR 23 HG23 THR 23 -12.873 -10.023 -21.902 191 H ASN 24 H ASN 24 -13.085 -10.821 -17.348 192 HA ASN 24 HA ASN 24 -12.329 -10.758 -15.267 193 HB2 ASN 24 HB2 ASN 24 -12.817 -13.230 -15.470 194 HB3 ASN 24 HB3 ASN 24 -11.079 -13.487 -15.702 195 HD21 ASN 24 HD21 ASN 24 -10.227 -14.272 -13.813 196 HD22 ASN 24 HD22 ASN 24 -10.690 -13.702 -12.207 197 H ALA 25 H ALA 25 -10.442 -9.960 -17.602 198 HA ALA 25 HA ALA 25 -7.788 -9.998 -16.406 199 HB1 ALA 25 HB1 ALA 25 -8.913 -8.395 -18.740 200 HB2 ALA 25 HB2 ALA 25 -7.197 -8.614 -18.342 201 HB3 ALA 25 HB3 ALA 25 -8.170 -10.007 -18.852 202 H SER 26 H SER 26 -6.561 -8.032 -15.859 203 HA SER 26 HA SER 26 -8.058 -5.594 -15.253 204 HB2 SER 26 HB2 SER 26 -7.304 -5.406 -12.937 205 HB3 SER 26 HB3 SER 26 -8.389 -6.777 -13.161 206 HG SER 26 HG SER 26 -6.616 -8.155 -13.128 207 H GLN 27 H GLN 27 -6.805 -3.740 -15.011 208 HA GLN 27 HA GLN 27 -3.888 -3.868 -15.048 209 HB2 GLN 27 HB2 GLN 27 -3.552 -2.703 -17.116 210 HB3 GLN 27 HB3 GLN 27 -4.445 -4.192 -17.431 211 HG2 GLN 27 HG2 GLN 27 -6.519 -2.954 -17.750 212 HG3 GLN 27 HG3 GLN 27 -5.748 -1.449 -17.265 213 HE21 GLN 27 HE21 GLN 27 -4.883 -0.210 -18.884 214 HE22 GLN 27 HE22 GLN 27 -4.448 -0.819 -20.493 215 H PHE 28 H PHE 28 -2.877 -1.761 -14.680 216 HA PHE 28 HA PHE 28 -4.522 -0.206 -12.828 217 HB2 PHE 28 HB2 PHE 28 -2.383 -0.920 -12.096 218 HB3 PHE 28 HB3 PHE 28 -1.590 -0.322 -13.562 219 HD1 PHE 28 HD1 PHE 28 -3.312 0.774 -10.425 220 HD2 PHE 28 HD2 PHE 28 -0.850 1.911 -13.772 221 HE1 PHE 28 HE1 PHE 28 -2.859 2.970 -9.345 222 HE2 PHE 28 HE2 PHE 28 -0.398 4.112 -12.698 223 HZ PHE 28 HZ PHE 28 -1.400 4.634 -10.469 224 H GLU 29 H GLU 29 -2.854 0.436 -15.909 225 HA GLU 29 HA GLU 29 -3.762 3.259 -15.945 226 HB2 GLU 29 HB2 GLU 29 -2.398 3.484 -17.911 227 HB3 GLU 29 HB3 GLU 29 -1.458 2.829 -16.582 228 HG2 GLU 29 HG2 GLU 29 -2.650 1.003 -18.718 229 HG3 GLU 29 HG3 GLU 29 -1.167 1.893 -19.004 230 H ARG 30 H ARG 30 -4.846 4.118 -17.929 231 HA ARG 30 HA ARG 30 -7.310 2.777 -18.160 232 HB2 ARG 30 HB2 ARG 30 -6.631 5.320 -18.495 233 HB3 ARG 30 HB3 ARG 30 -6.514 4.863 -20.194 234 HG2 ARG 30 HG2 ARG 30 -8.972 3.761 -19.447 235 HG3 ARG 30 HG3 ARG 30 -8.865 5.186 -18.407 236 HD2 ARG 30 HD2 ARG 30 -9.924 6.084 -20.195 237 HD3 ARG 30 HD3 ARG 30 -8.255 6.425 -20.678 238 HE ARG 30 HE ARG 30 -8.744 3.927 -21.792 239 HH11 ARG 30 HH11 ARG 30 -10.566 6.932 -22.074 240 HH12 ARG 30 HH12 ARG 30 -11.384 6.354 -23.508 241 HH21 ARG 30 HH21 ARG 30 -9.789 3.326 -23.531 242 HH22 ARG 30 HH22 ARG 30 -11.074 4.320 -24.226 243 HA PRO 31 HA PRO 31 -6.378 0.063 -21.669 244 HB2 PRO 31 HB2 PRO 31 -8.835 -1.096 -22.023 245 HB3 PRO 31 HB3 PRO 31 -7.731 -1.538 -20.680 246 HG2 PRO 31 HG2 PRO 31 -10.047 0.424 -20.629 247 HG3 PRO 31 HG3 PRO 31 -9.701 -0.903 -19.478 248 HD2 PRO 31 HD2 PRO 31 -8.978 1.638 -18.942 249 HD3 PRO 31 HD3 PRO 31 -7.889 0.282 -18.518 250 H SER 32 H SER 32 -6.798 -0.019 -23.931 251 HA SER 32 HA SER 32 -8.792 1.731 -25.149 252 HB2 SER 32 HB2 SER 32 -6.919 3.288 -24.680 253 HB3 SER 32 HB3 SER 32 -5.824 2.229 -25.605 254 HG SER 32 HG SER 32 -6.677 3.962 -26.857 255 H GLY 33 H GLY 33 -9.235 1.167 -27.218 256 HA2 GLY 33 HA2 GLY 33 -8.691 -1.562 -28.060 257 HA3 GLY 33 HA3 GLY 33 -9.688 -0.378 -28.903 258 H1 4N2 101 H1 4N2 34 -3.774 -1.072 -4.111 259 H2 4N2 101 H2 4N2 34 -4.214 -3.480 -4.014 260 H3 4N2 101 H3 4N2 34 -2.317 -4.347 -5.461 261 H4 4N2 101 H4 4N2 34 -0.513 -2.710 -6.089 262 H5 4N2 101 H5 4N2 34 -1.587 -0.617 -5.368 263 H62 4N2 101 H62 4N2 34 0.166 0.511 -4.073 264 H61 4N2 101 H61 4N2 34 0.881 -1.038 -3.621 265 HO2 4N2 101 H2O 4N2 34 -1.618 -3.982 -2.947 266 HO3 4N2 101 H3O 4N2 34 -3.953 -3.093 -6.453 267 HO4 4N2 101 H4O 4N2 34 0.774 -3.313 -4.359 268 HO6 4N2 101 H6O 4N2 34 1.918 -0.046 -5.463 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -17.203 4.184 -24.023 2 H2 LYS 1 H2 LYS 1 -17.499 5.696 -23.473 3 H3 LYS 1 H3 LYS 1 -17.701 4.405 -22.483 4 HA LYS 1 HA LYS 1 -15.140 5.308 -23.614 5 HB2 LYS 1 HB2 LYS 1 -16.259 6.743 -21.783 6 HB3 LYS 1 HB3 LYS 1 -15.904 5.415 -20.675 7 HG2 LYS 1 HG2 LYS 1 -13.471 5.689 -21.154 8 HG3 LYS 1 HG3 LYS 1 -13.845 6.880 -22.402 9 HD2 LYS 1 HD2 LYS 1 -13.071 8.013 -20.420 10 HD3 LYS 1 HD3 LYS 1 -14.779 8.397 -20.674 11 HE2 LYS 1 HE2 LYS 1 -15.401 6.692 -18.954 12 HE3 LYS 1 HE3 LYS 1 -13.687 6.318 -18.716 13 HZ1 LYS 1 HZ1 LYS 1 -14.506 7.900 -17.059 14 HZ2 LYS 1 HZ2 LYS 1 -13.363 8.619 -17.980 15 HZ3 LYS 1 HZ3 LYS 1 -14.943 8.965 -18.215 16 H LEU 2 H LEU 2 -13.253 4.202 -22.658 17 HA LEU 2 HA LEU 2 -11.990 2.395 -22.608 18 HB2 LEU 2 HB2 LEU 2 -14.097 1.019 -20.921 19 HB3 LEU 2 HB3 LEU 2 -12.407 0.624 -21.079 20 HG LEU 2 HG LEU 2 -12.460 1.521 -19.052 21 HD11 LEU 2 HD11 LEU 2 -11.181 3.492 -18.997 22 HD12 LEU 2 HD12 LEU 2 -10.724 2.629 -20.472 23 HD13 LEU 2 HD13 LEU 2 -11.789 4.044 -20.574 24 HD21 LEU 2 HD21 LEU 2 -13.589 3.451 -18.224 25 HD22 LEU 2 HD22 LEU 2 -14.165 3.885 -19.840 26 HD23 LEU 2 HD23 LEU 2 -14.754 2.405 -19.054 27 HA PRO 3 HA PRO 3 -13.167 -0.568 -25.748 28 HB2 PRO 3 HB2 PRO 3 -11.540 -2.730 -24.522 29 HB3 PRO 3 HB3 PRO 3 -11.361 -1.936 -26.111 30 HG2 PRO 3 HG2 PRO 3 -9.618 -1.476 -24.037 31 HG3 PRO 3 HG3 PRO 3 -10.059 -0.224 -25.233 32 HD2 PRO 3 HD2 PRO 3 -11.158 -0.625 -22.450 33 HD3 PRO 3 HD3 PRO 3 -10.658 0.886 -23.270 34 HA PRO 4 HA PRO 4 -16.412 -3.282 -24.508 35 HB2 PRO 4 HB2 PRO 4 -14.952 -5.635 -25.738 36 HB3 PRO 4 HB3 PRO 4 -16.689 -5.194 -25.860 37 HG2 PRO 4 HG2 PRO 4 -15.032 -4.525 -27.874 38 HG3 PRO 4 HG3 PRO 4 -16.175 -3.291 -27.233 39 HD2 PRO 4 HD2 PRO 4 -13.230 -3.638 -26.586 40 HD3 PRO 4 HD3 PRO 4 -14.124 -2.142 -27.011 41 H GLY 5 H GLY 5 -16.984 -4.069 -22.644 42 HA2 GLY 5 HA2 GLY 5 -17.133 -5.465 -20.811 43 HA3 GLY 5 HA3 GLY 5 -15.602 -6.234 -21.262 44 H TRP 6 H TRP 6 -14.538 -3.168 -21.165 45 HA TRP 6 HA TRP 6 -13.445 -3.525 -18.494 46 HB2 TRP 6 HB2 TRP 6 -13.077 -1.384 -20.564 47 HB3 TRP 6 HB3 TRP 6 -12.233 -1.401 -19.006 48 HD1 TRP 6 HD1 TRP 6 -12.219 -2.915 -22.423 49 HE1 TRP 6 HE1 TRP 6 -10.092 -4.288 -22.807 50 HE3 TRP 6 HE3 TRP 6 -10.484 -3.050 -17.607 51 HZ2 TRP 6 HZ2 TRP 6 -8.144 -5.621 -21.178 52 HZ3 TRP 6 HZ3 TRP 6 -8.449 -4.393 -17.057 53 HH2 TRP 6 HH2 TRP 6 -7.298 -5.699 -18.817 54 H GLU 7 H GLU 7 -13.736 -2.426 -16.677 55 HA GLU 7 HA GLU 7 -15.551 -0.080 -16.463 56 HB2 GLU 7 HB2 GLU 7 -16.858 -2.190 -16.129 57 HB3 GLU 7 HB3 GLU 7 -15.738 -2.659 -14.845 58 HG2 GLU 7 HG2 GLU 7 -16.435 -0.640 -13.544 59 HG3 GLU 7 HG3 GLU 7 -17.543 -0.198 -14.846 60 H LYS 8 H LYS 8 -15.033 1.300 -14.695 61 HA LYS 8 HA LYS 8 -12.359 1.065 -13.562 62 HB2 LYS 8 HB2 LYS 8 -14.593 3.092 -13.297 63 HB3 LYS 8 HB3 LYS 8 -13.221 3.099 -12.177 64 HG2 LYS 8 HG2 LYS 8 -11.634 3.203 -14.045 65 HG3 LYS 8 HG3 LYS 8 -12.982 3.194 -15.203 66 HD2 LYS 8 HD2 LYS 8 -12.213 5.454 -14.991 67 HD3 LYS 8 HD3 LYS 8 -13.777 5.365 -14.161 68 HE2 LYS 8 HE2 LYS 8 -12.593 5.166 -11.977 69 HE3 LYS 8 HE3 LYS 8 -11.036 5.189 -12.816 70 HZ1 LYS 8 HZ1 LYS 8 -13.000 7.417 -12.815 71 HZ2 LYS 8 HZ2 LYS 8 -11.619 7.380 -11.948 72 HZ3 LYS 8 HZ3 LYS 8 -11.553 7.440 -13.578 73 H ARG 9 H ARG 9 -11.735 0.695 -11.630 74 HA ARG 9 HA ARG 9 -13.527 -0.067 -9.367 75 HB2 ARG 9 HB2 ARG 9 -11.138 -1.701 -10.330 76 HB3 ARG 9 HB3 ARG 9 -12.068 -2.052 -8.871 77 HG2 ARG 9 HG2 ARG 9 -13.083 -2.147 -11.656 78 HG3 ARG 9 HG3 ARG 9 -12.598 -3.565 -10.712 79 HD2 ARG 9 HD2 ARG 9 -14.408 -3.189 -9.110 80 HD3 ARG 9 HD3 ARG 9 -14.866 -1.683 -9.919 81 HE ARG 9 HE ARG 9 -16.012 -2.843 -11.534 82 HH11 ARG 9 HH11 ARG 9 -14.073 -5.251 -9.856 83 HH12 ARG 9 HH12 ARG 9 -14.929 -6.561 -10.631 84 HH21 ARG 9 HH21 ARG 9 -17.042 -4.479 -12.393 85 HH22 ARG 9 HH22 ARG 9 -16.610 -6.145 -12.008 86 H MET 10 H MET 10 -11.919 -0.736 -7.613 87 HA MET 10 HA MET 10 -9.554 0.930 -7.270 88 HB2 MET 10 HB2 MET 10 -11.474 2.540 -6.801 89 HB3 MET 10 HB3 MET 10 -11.880 1.527 -5.402 90 HG2 MET 10 HG2 MET 10 -9.499 1.952 -4.571 91 HG3 MET 10 HG3 MET 10 -9.310 3.065 -5.922 92 HE1 MET 10 HE1 MET 10 -10.744 2.387 -2.411 93 HE2 MET 10 HE2 MET 10 -11.907 3.704 -2.148 94 HE3 MET 10 HE3 MET 10 -12.291 2.400 -3.290 95 H PHE 11 H PHE 11 -8.138 0.007 -5.856 96 HA PHE 11 HA PHE 11 -8.828 -2.423 -4.380 97 HB2 PHE 11 HB2 PHE 11 -6.319 -0.715 -4.532 98 HB3 PHE 11 HB3 PHE 11 -6.442 -2.168 -3.556 99 HD1 PHE 11 HD1 PHE 11 -5.580 -0.926 -6.806 100 HD2 PHE 11 HD2 PHE 11 -7.137 -4.379 -4.741 101 HE1 PHE 11 HE1 PHE 11 -4.926 -2.363 -8.716 102 HE2 PHE 11 HE2 PHE 11 -6.475 -5.815 -6.656 103 HZ PHE 11 HZ PHE 11 -5.372 -4.810 -8.646 104 H ALA 12 H ALA 12 -8.576 -2.700 -2.074 105 HA ALA 12 HA ALA 12 -10.022 -0.837 -0.521 106 HB1 ALA 12 HB1 ALA 12 -9.899 -3.264 -0.098 107 HB2 ALA 12 HB2 ALA 12 -8.184 -3.108 0.359 108 HB3 ALA 12 HB3 ALA 12 -9.447 -2.342 1.347 109 H ASN 13 H ASN 13 -6.640 -0.803 -1.239 110 HA ASN 13 HA ASN 13 -5.864 0.952 0.978 111 HB2 ASN 13 HB2 ASN 13 -3.665 0.912 -0.079 112 HB3 ASN 13 HB3 ASN 13 -4.321 -0.722 0.087 113 HD21 ASN 13 HD21 ASN 13 -2.866 -1.476 -1.531 114 H GLY 14 H GLY 14 -7.672 1.567 -1.769 115 HA2 GLY 14 HA2 GLY 14 -8.513 3.689 -2.328 116 HA3 GLY 14 HA3 GLY 14 -7.058 4.473 -1.696 117 H THR 15 H THR 15 -6.233 1.841 -3.760 118 HA THR 15 HA THR 15 -5.363 3.762 -5.841 119 HB THR 15 HB THR 15 -4.696 0.820 -5.547 120 HG1 THR 15 HG1 THR 15 -3.893 1.829 -3.850 121 HG21 THR 15 HG21 THR 15 -4.258 1.623 -7.827 122 HG22 THR 15 HG22 THR 15 -3.398 3.041 -7.180 123 HG23 THR 15 HG23 THR 15 -2.739 1.405 -6.955 124 H VAL 16 H VAL 16 -6.846 4.231 -7.347 125 HA VAL 16 HA VAL 16 -8.901 2.719 -8.486 126 HB VAL 16 HB VAL 16 -7.138 4.870 -9.688 127 HG11 VAL 16 HG11 VAL 16 -9.750 3.730 -10.769 128 HG12 VAL 16 HG12 VAL 16 -8.975 5.231 -11.327 129 HG13 VAL 16 HG13 VAL 16 -8.160 3.689 -11.571 130 HG21 VAL 16 HG21 VAL 16 -9.956 4.900 -8.510 131 HG22 VAL 16 HG22 VAL 16 -8.504 5.564 -7.731 132 HG23 VAL 16 HG23 VAL 16 -9.114 6.297 -9.215 133 H TYR 17 H TYR 17 -9.146 1.291 -10.139 134 HA TYR 17 HA TYR 17 -6.955 0.653 -11.941 135 HB2 TYR 17 HB2 TYR 17 -6.736 -1.657 -11.546 136 HB3 TYR 17 HB3 TYR 17 -6.489 -0.862 -10.023 137 HD1 TYR 17 HD1 TYR 17 -8.106 -1.135 -8.174 138 HD2 TYR 17 HD2 TYR 17 -8.594 -3.227 -11.915 139 HE1 TYR 17 HE1 TYR 17 -9.543 -2.838 -7.049 140 HE2 TYR 17 HE2 TYR 17 -10.039 -4.902 -10.790 141 HH TYR 17 HH TYR 17 -10.723 -4.770 -7.290 142 H TYR 18 H TYR 18 -7.795 -1.252 -13.473 143 HA TYR 18 HA TYR 18 -10.665 -0.780 -14.158 144 HB2 TYR 18 HB2 TYR 18 -8.302 -0.981 -16.063 145 HB3 TYR 18 HB3 TYR 18 -10.007 -0.881 -16.527 146 HD1 TYR 18 HD1 TYR 18 -11.093 1.253 -16.771 147 HD2 TYR 18 HD2 TYR 18 -7.232 0.992 -14.850 148 HE1 TYR 18 HE1 TYR 18 -10.966 3.727 -16.662 149 HE2 TYR 18 HE2 TYR 18 -7.126 3.468 -14.720 150 HH TYR 18 HH TYR 18 -8.209 5.433 -15.164 151 H PHE 19 H PHE 19 -11.833 -2.562 -14.606 152 HA PHE 19 HA PHE 19 -10.496 -5.245 -14.741 153 HB2 PHE 19 HB2 PHE 19 -11.405 -4.994 -12.540 154 HB3 PHE 19 HB3 PHE 19 -12.918 -4.332 -13.160 155 HD1 PHE 19 HD1 PHE 19 -14.690 -5.786 -14.043 156 HD2 PHE 19 HD2 PHE 19 -10.928 -7.435 -12.714 157 HE1 PHE 19 HE1 PHE 19 -15.702 -8.042 -13.958 158 HE2 PHE 19 HE2 PHE 19 -11.930 -9.703 -12.702 159 HZ PHE 19 HZ PHE 19 -14.326 -10.009 -13.306 160 H ASN 20 H ASN 20 -11.292 -6.676 -16.219 161 HA ASN 20 HA ASN 20 -13.436 -5.707 -18.042 162 HB2 ASN 20 HB2 ASN 20 -11.138 -6.119 -18.953 163 HB3 ASN 20 HB3 ASN 20 -11.351 -7.832 -18.574 164 HD21 ASN 20 HD21 ASN 20 -11.374 -5.868 -21.118 165 HD22 ASN 20 HD22 ASN 20 -12.743 -6.471 -22.034 166 H HIS 21 H HIS 21 -15.398 -6.576 -17.743 167 HA HIS 21 HA HIS 21 -15.734 -8.935 -16.068 168 HB2 HIS 21 HB2 HIS 21 -17.915 -8.343 -15.890 169 HB3 HIS 21 HB3 HIS 21 -17.199 -6.773 -16.238 170 HD2 HIS 21 HD2 HIS 21 -17.995 -5.548 -18.483 171 HE1 HIS 21 HE1 HIS 21 -20.710 -8.522 -19.876 172 HE2 HIS 21 HE2 HIS 21 -19.887 -6.138 -20.214 173 H ILE 22 H ILE 22 -15.357 -8.562 -19.447 174 HA ILE 22 HA ILE 22 -16.818 -11.021 -20.189 175 HB ILE 22 HB ILE 22 -15.168 -9.063 -21.840 176 HG12 ILE 22 HG12 ILE 22 -18.200 -9.357 -21.509 177 HG13 ILE 22 HG13 ILE 22 -17.209 -8.055 -20.831 178 HG21 ILE 22 HG21 ILE 22 -15.250 -11.283 -22.921 179 HG22 ILE 22 HG22 ILE 22 -17.021 -11.307 -22.758 180 HG23 ILE 22 HG23 ILE 22 -16.216 -10.125 -23.814 181 HD11 ILE 22 HD11 ILE 22 -16.568 -7.407 -23.191 182 HD12 ILE 22 HD12 ILE 22 -17.850 -8.511 -23.750 183 HD13 ILE 22 HD13 ILE 22 -18.254 -7.133 -22.710 184 H THR 23 H THR 23 -13.462 -9.853 -19.960 185 HA THR 23 HA THR 23 -12.409 -12.559 -20.634 186 HB THR 23 HB THR 23 -10.326 -11.466 -21.117 187 HG1 THR 23 HG1 THR 23 -10.504 -9.059 -20.991 188 HG21 THR 23 HG21 THR 23 -12.148 -11.280 -22.867 189 HG22 THR 23 HG22 THR 23 -12.500 -9.647 -22.251 190 HG23 THR 23 HG23 THR 23 -10.910 -10.014 -22.946 191 H ASN 24 H ASN 24 -13.048 -10.816 -17.843 192 HA ASN 24 HA ASN 24 -12.479 -10.879 -15.705 193 HB2 ASN 24 HB2 ASN 24 -11.258 -13.608 -16.203 194 HB3 ASN 24 HB3 ASN 24 -11.820 -12.948 -14.658 195 HD21 ASN 24 HD21 ASN 24 -14.220 -12.350 -14.574 196 HD22 ASN 24 HD22 ASN 24 -15.306 -13.409 -15.476 197 H ALA 25 H ALA 25 -10.404 -9.919 -17.761 198 HA ALA 25 HA ALA 25 -7.873 -10.066 -16.313 199 HB1 ALA 25 HB1 ALA 25 -8.002 -9.935 -18.782 200 HB2 ALA 25 HB2 ALA 25 -8.762 -8.331 -18.656 201 HB3 ALA 25 HB3 ALA 25 -7.093 -8.573 -18.100 202 H SER 26 H SER 26 -6.711 -8.141 -15.550 203 HA SER 26 HA SER 26 -8.215 -5.695 -15.095 204 HB2 SER 26 HB2 SER 26 -7.712 -5.506 -12.694 205 HB3 SER 26 HB3 SER 26 -8.840 -6.813 -13.042 206 HG SER 26 HG SER 26 -7.154 -8.289 -12.810 207 H GLN 27 H GLN 27 -6.950 -3.875 -14.674 208 HA GLN 27 HA GLN 27 -4.029 -4.089 -14.535 209 HB2 GLN 27 HB2 GLN 27 -3.566 -2.969 -16.599 210 HB3 GLN 27 HB3 GLN 27 -4.551 -4.393 -16.951 211 HG2 GLN 27 HG2 GLN 27 -6.541 -2.987 -17.263 212 HG3 GLN 27 HG3 GLN 27 -5.630 -1.555 -16.802 213 HE21 GLN 27 HE21 GLN 27 -5.175 -0.347 -18.580 214 HE22 GLN 27 HE22 GLN 27 -4.640 -1.014 -20.138 215 H PHE 28 H PHE 28 -2.971 -2.043 -14.099 216 HA PHE 28 HA PHE 28 -4.586 -0.303 -12.422 217 HB2 PHE 28 HB2 PHE 28 -2.453 -0.899 -11.627 218 HB3 PHE 28 HB3 PHE 28 -1.669 -0.535 -13.170 219 HD1 PHE 28 HD1 PHE 28 -3.443 1.116 -10.296 220 HD2 PHE 28 HD2 PHE 28 -0.698 1.551 -13.589 221 HE1 PHE 28 HE1 PHE 28 -2.889 3.420 -9.533 222 HE2 PHE 28 HE2 PHE 28 -0.132 3.851 -12.818 223 HZ PHE 28 HZ PHE 28 -1.229 4.784 -10.787 224 H GLU 29 H GLU 29 -2.938 0.136 -15.572 225 HA GLU 29 HA GLU 29 -3.654 2.979 -15.667 226 HB2 GLU 29 HB2 GLU 29 -2.362 3.088 -17.662 227 HB3 GLU 29 HB3 GLU 29 -1.466 2.172 -16.447 228 HG2 GLU 29 HG2 GLU 29 -2.270 0.043 -17.579 229 HG3 GLU 29 HG3 GLU 29 -2.958 1.048 -18.859 230 H ARG 30 H ARG 30 -4.806 3.984 -17.439 231 HA ARG 30 HA ARG 30 -7.373 2.830 -17.830 232 HB2 ARG 30 HB2 ARG 30 -7.016 5.191 -17.623 233 HB3 ARG 30 HB3 ARG 30 -6.033 5.258 -19.078 234 HG2 ARG 30 HG2 ARG 30 -8.826 4.162 -19.336 235 HG3 ARG 30 HG3 ARG 30 -8.666 5.898 -19.015 236 HD2 ARG 30 HD2 ARG 30 -7.582 6.351 -21.024 237 HD3 ARG 30 HD3 ARG 30 -6.964 4.719 -21.197 238 HE ARG 30 HE ARG 30 -9.012 3.906 -21.974 239 HH11 ARG 30 HH11 ARG 30 -9.291 7.385 -21.525 240 HH12 ARG 30 HH12 ARG 30 -10.564 7.511 -22.711 241 HH21 ARG 30 HH21 ARG 30 -10.505 4.176 -23.532 242 HH22 ARG 30 HH22 ARG 30 -11.217 5.741 -23.834 243 HA PRO 31 HA PRO 31 -6.299 0.342 -21.408 244 HB2 PRO 31 HB2 PRO 31 -8.620 -1.041 -21.764 245 HB3 PRO 31 HB3 PRO 31 -7.547 -1.314 -20.356 246 HG2 PRO 31 HG2 PRO 31 -10.033 0.408 -20.495 247 HG3 PRO 31 HG3 PRO 31 -9.590 -0.798 -19.245 248 HD2 PRO 31 HD2 PRO 31 -9.136 1.879 -18.919 249 HD3 PRO 31 HD3 PRO 31 -8.028 0.639 -18.265 250 H SER 32 H SER 32 -6.568 0.318 -23.662 251 HA SER 32 HA SER 32 -8.699 1.804 -24.976 252 HB2 SER 32 HB2 SER 32 -7.122 3.606 -24.319 253 HB3 SER 32 HB3 SER 32 -5.815 2.759 -25.184 254 HG SER 32 HG SER 32 -6.822 4.395 -26.449 255 H GLY 33 H GLY 33 -8.778 1.381 -27.166 256 HA2 GLY 33 HA2 GLY 33 -6.917 -0.248 -28.680 257 HA3 GLY 33 HA3 GLY 33 -8.269 -1.214 -28.083 258 H1 4N2 101 H1 4N2 34 -3.445 -0.601 -4.309 259 H2 4N2 101 H2 4N2 34 -3.743 -3.021 -4.207 260 H3 4N2 101 H3 4N2 34 -1.764 -3.813 -5.602 261 H4 4N2 101 H4 4N2 34 -0.055 -2.066 -6.241 262 H5 4N2 101 H5 4N2 34 -1.328 -0.062 -5.580 263 H62 4N2 101 H62 4N2 34 1.026 0.366 -5.692 264 H61 4N2 101 H61 4N2 34 0.352 1.249 -4.324 265 HO2 4N2 101 H2O 4N2 34 -1.144 -3.382 -3.088 266 HO3 4N2 101 H3O 4N2 34 -3.441 -2.718 -6.676 267 HO4 4N2 101 H4O 4N2 34 0.999 -2.149 -4.027 268 HO6 4N2 101 H6O 4N2 34 2.302 0.234 -3.717 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -15.155 5.095 -24.813 2 H2 LYS 1 H2 LYS 1 -16.035 6.184 -23.976 3 H3 LYS 1 H3 LYS 1 -16.003 4.625 -23.492 4 HA LYS 1 HA LYS 1 -13.723 6.491 -23.513 5 HB2 LYS 1 HB2 LYS 1 -15.409 6.996 -21.753 6 HB3 LYS 1 HB3 LYS 1 -15.168 5.386 -21.071 7 HG2 LYS 1 HG2 LYS 1 -12.733 5.959 -20.721 8 HG3 LYS 1 HG3 LYS 1 -13.056 7.575 -21.371 9 HD2 LYS 1 HD2 LYS 1 -14.652 8.003 -19.509 10 HD3 LYS 1 HD3 LYS 1 -14.405 6.356 -18.918 11 HE2 LYS 1 HE2 LYS 1 -13.081 7.772 -17.541 12 HE3 LYS 1 HE3 LYS 1 -11.975 6.860 -18.572 13 HZ1 LYS 1 HZ1 LYS 1 -11.788 8.845 -19.988 14 HZ2 LYS 1 HZ2 LYS 1 -12.838 9.669 -19.043 15 HZ3 LYS 1 HZ3 LYS 1 -11.385 9.222 -18.453 16 H LEU 2 H LEU 2 -14.540 3.364 -21.866 17 HA LEU 2 HA LEU 2 -11.823 2.370 -22.533 18 HB2 LEU 2 HB2 LEU 2 -13.928 1.156 -20.701 19 HB3 LEU 2 HB3 LEU 2 -12.302 0.586 -20.964 20 HG LEU 2 HG LEU 2 -12.062 1.516 -18.958 21 HD11 LEU 2 HD11 LEU 2 -10.694 3.456 -19.070 22 HD12 LEU 2 HD12 LEU 2 -10.414 2.537 -20.559 23 HD13 LEU 2 HD13 LEU 2 -11.425 3.990 -20.596 24 HD21 LEU 2 HD21 LEU 2 -13.767 3.916 -19.675 25 HD22 LEU 2 HD22 LEU 2 -14.284 2.499 -18.736 26 HD23 LEU 2 HD23 LEU 2 -13.019 3.567 -18.107 27 HA PRO 3 HA PRO 3 -13.375 -0.432 -25.631 28 HB2 PRO 3 HB2 PRO 3 -11.811 -2.741 -24.654 29 HB3 PRO 3 HB3 PRO 3 -11.631 -1.812 -26.166 30 HG2 PRO 3 HG2 PRO 3 -9.837 -1.669 -24.059 31 HG3 PRO 3 HG3 PRO 3 -10.138 -0.324 -25.202 32 HD2 PRO 3 HD2 PRO 3 -11.242 -0.752 -22.436 33 HD3 PRO 3 HD3 PRO 3 -10.642 0.753 -23.200 34 HA PRO 4 HA PRO 4 -16.699 -2.986 -24.318 35 HB2 PRO 4 HB2 PRO 4 -15.494 -5.345 -25.790 36 HB3 PRO 4 HB3 PRO 4 -17.199 -4.780 -25.766 37 HG2 PRO 4 HG2 PRO 4 -15.630 -4.093 -27.842 38 HG3 PRO 4 HG3 PRO 4 -16.640 -2.831 -27.051 39 HD2 PRO 4 HD2 PRO 4 -13.690 -3.412 -26.631 40 HD3 PRO 4 HD3 PRO 4 -14.505 -1.838 -26.898 41 H GLY 5 H GLY 5 -17.243 -3.927 -22.495 42 HA2 GLY 5 HA2 GLY 5 -17.304 -5.365 -20.685 43 HA3 GLY 5 HA3 GLY 5 -15.855 -6.190 -21.288 44 H TRP 6 H TRP 6 -14.681 -3.143 -21.195 45 HA TRP 6 HA TRP 6 -13.475 -3.538 -18.541 46 HB2 TRP 6 HB2 TRP 6 -13.027 -1.496 -20.706 47 HB3 TRP 6 HB3 TRP 6 -12.167 -1.509 -19.163 48 HD1 TRP 6 HD1 TRP 6 -12.292 -3.162 -22.531 49 HE1 TRP 6 HE1 TRP 6 -10.128 -4.480 -22.943 50 HE3 TRP 6 HE3 TRP 6 -10.385 -3.068 -17.775 51 HZ2 TRP 6 HZ2 TRP 6 -8.004 -5.597 -21.351 52 HZ3 TRP 6 HZ3 TRP 6 -8.243 -4.256 -17.270 53 HH2 TRP 6 HH2 TRP 6 -7.080 -5.542 -19.030 54 H GLU 7 H GLU 7 -13.729 -2.352 -16.751 55 HA GLU 7 HA GLU 7 -15.142 0.242 -16.762 56 HB2 GLU 7 HB2 GLU 7 -16.878 -1.528 -16.458 57 HB3 GLU 7 HB3 GLU 7 -16.024 -2.106 -15.022 58 HG2 GLU 7 HG2 GLU 7 -16.502 -0.055 -13.834 59 HG3 GLU 7 HG3 GLU 7 -17.019 0.753 -15.316 60 H LYS 8 H LYS 8 -14.754 1.478 -14.771 61 HA LYS 8 HA LYS 8 -12.127 1.057 -13.608 62 HB2 LYS 8 HB2 LYS 8 -14.329 3.088 -13.128 63 HB3 LYS 8 HB3 LYS 8 -12.888 3.001 -12.096 64 HG2 LYS 8 HG2 LYS 8 -11.408 3.279 -14.007 65 HG3 LYS 8 HG3 LYS 8 -12.791 3.248 -15.119 66 HD2 LYS 8 HD2 LYS 8 -12.131 5.530 -14.888 67 HD3 LYS 8 HD3 LYS 8 -13.644 5.352 -13.982 68 HE2 LYS 8 HE2 LYS 8 -12.318 5.129 -11.870 69 HE3 LYS 8 HE3 LYS 8 -10.824 5.297 -12.806 70 HZ1 LYS 8 HZ1 LYS 8 -11.504 7.410 -11.813 71 HZ2 LYS 8 HZ2 LYS 8 -11.550 7.531 -13.440 72 HZ3 LYS 8 HZ3 LYS 8 -12.939 7.374 -12.589 73 H ARG 9 H ARG 9 -11.566 0.536 -11.667 74 HA ARG 9 HA ARG 9 -13.432 -0.480 -9.589 75 HB2 ARG 9 HB2 ARG 9 -12.865 -2.291 -11.320 76 HB3 ARG 9 HB3 ARG 9 -11.210 -2.246 -10.716 77 HG2 ARG 9 HG2 ARG 9 -11.930 -3.040 -8.540 78 HG3 ARG 9 HG3 ARG 9 -13.643 -2.758 -8.940 79 HD2 ARG 9 HD2 ARG 9 -13.583 -4.508 -10.641 80 HD3 ARG 9 HD3 ARG 9 -11.845 -4.769 -10.352 81 HE ARG 9 HE ARG 9 -13.137 -5.078 -7.867 82 HH11 ARG 9 HH11 ARG 9 -13.629 -7.036 -6.971 83 HH12 ARG 9 HH12 ARG 9 -13.792 -8.444 -7.985 84 HH21 ARG 9 HH21 ARG 9 -13.160 -6.813 -10.930 85 HH22 ARG 9 HH22 ARG 9 -13.532 -8.322 -10.151 86 H MET 10 H MET 10 -12.081 -1.175 -7.563 87 HA MET 10 HA MET 10 -9.597 0.377 -7.236 88 HB2 MET 10 HB2 MET 10 -11.548 1.997 -7.045 89 HB3 MET 10 HB3 MET 10 -12.093 1.067 -5.637 90 HG2 MET 10 HG2 MET 10 -9.821 1.571 -4.581 91 HG3 MET 10 HG3 MET 10 -9.490 2.597 -5.970 92 HE1 MET 10 HE1 MET 10 -12.713 2.064 -3.622 93 HE2 MET 10 HE2 MET 10 -11.266 2.135 -2.590 94 HE3 MET 10 HE3 MET 10 -12.464 3.447 -2.537 95 H PHE 11 H PHE 11 -8.341 -0.286 -5.602 96 HA PHE 11 HA PHE 11 -8.980 -2.707 -4.082 97 HB2 PHE 11 HB2 PHE 11 -6.590 -0.829 -4.118 98 HB3 PHE 11 HB3 PHE 11 -6.680 -2.275 -3.130 99 HD1 PHE 11 HD1 PHE 11 -5.960 -0.979 -6.459 100 HD2 PHE 11 HD2 PHE 11 -6.836 -4.550 -4.205 101 HE1 PHE 11 HE1 PHE 11 -5.024 -2.362 -8.291 102 HE2 PHE 11 HE2 PHE 11 -5.885 -5.933 -6.037 103 HZ PHE 11 HZ PHE 11 -4.978 -4.841 -8.081 104 H ALA 12 H ALA 12 -8.874 -2.862 -1.754 105 HA ALA 12 HA ALA 12 -10.463 -0.984 -0.355 106 HB1 ALA 12 HB1 ALA 12 -8.606 -3.160 0.704 107 HB2 ALA 12 HB2 ALA 12 -9.936 -2.393 1.598 108 HB3 ALA 12 HB3 ALA 12 -10.291 -3.388 0.174 109 H ASN 13 H ASN 13 -7.048 -0.869 -0.919 110 HA ASN 13 HA ASN 13 -6.455 1.003 1.265 111 HB2 ASN 13 HB2 ASN 13 -4.191 0.988 0.358 112 HB3 ASN 13 HB3 ASN 13 -4.808 -0.656 0.571 113 HD21 ASN 13 HD21 ASN 13 -3.174 -1.387 -0.889 114 H GLY 14 H GLY 14 -8.130 1.451 -1.586 115 HA2 GLY 14 HA2 GLY 14 -8.970 3.481 -2.355 116 HA3 GLY 14 HA3 GLY 14 -7.667 4.370 -1.547 117 H THR 15 H THR 15 -6.583 1.719 -3.535 118 HA THR 15 HA THR 15 -5.524 3.638 -5.546 119 HB THR 15 HB THR 15 -4.911 0.687 -5.188 120 HG1 THR 15 HG1 THR 15 -4.199 1.716 -3.459 121 HG21 THR 15 HG21 THR 15 -3.489 2.862 -6.786 122 HG22 THR 15 HG22 THR 15 -2.869 1.221 -6.492 123 HG23 THR 15 HG23 THR 15 -4.334 1.443 -7.454 124 H VAL 16 H VAL 16 -6.340 3.856 -7.548 125 HA VAL 16 HA VAL 16 -8.668 2.212 -8.328 126 HB VAL 16 HB VAL 16 -7.595 4.883 -9.275 127 HG11 VAL 16 HG11 VAL 16 -8.657 3.851 -11.214 128 HG12 VAL 16 HG12 VAL 16 -10.080 3.408 -10.237 129 HG13 VAL 16 HG13 VAL 16 -9.699 5.114 -10.562 130 HG21 VAL 16 HG21 VAL 16 -10.150 4.119 -7.792 131 HG22 VAL 16 HG22 VAL 16 -8.726 4.886 -7.055 132 HG23 VAL 16 HG23 VAL 16 -9.665 5.759 -8.270 133 H TYR 17 H TYR 17 -8.898 1.125 -10.204 134 HA TYR 17 HA TYR 17 -6.777 0.981 -12.227 135 HB2 TYR 17 HB2 TYR 17 -6.362 -1.359 -11.995 136 HB3 TYR 17 HB3 TYR 17 -6.046 -0.604 -10.461 137 HD1 TYR 17 HD1 TYR 17 -7.689 -0.908 -8.541 138 HD2 TYR 17 HD2 TYR 17 -7.962 -3.130 -12.226 139 HE1 TYR 17 HE1 TYR 17 -8.933 -2.726 -7.369 140 HE2 TYR 17 HE2 TYR 17 -9.265 -4.903 -11.070 141 HH TYR 17 HH TYR 17 -9.876 -5.733 -9.005 142 H TYR 18 H TYR 18 -7.524 -0.958 -13.813 143 HA TYR 18 HA TYR 18 -10.439 -0.616 -14.389 144 HB2 TYR 18 HB2 TYR 18 -8.134 -0.849 -16.350 145 HB3 TYR 18 HB3 TYR 18 -9.852 -0.728 -16.759 146 HD1 TYR 18 HD1 TYR 18 -11.017 1.405 -16.718 147 HD2 TYR 18 HD2 TYR 18 -6.926 1.107 -15.372 148 HE1 TYR 18 HE1 TYR 18 -10.870 3.884 -16.585 149 HE2 TYR 18 HE2 TYR 18 -6.789 3.585 -15.232 150 HH TYR 18 HH TYR 18 -7.911 5.559 -15.492 151 H PHE 19 H PHE 19 -11.596 -2.404 -14.814 152 HA PHE 19 HA PHE 19 -10.233 -5.061 -14.971 153 HB2 PHE 19 HB2 PHE 19 -10.840 -4.859 -12.708 154 HB3 PHE 19 HB3 PHE 19 -12.391 -4.112 -13.076 155 HD1 PHE 19 HD1 PHE 19 -10.503 -7.313 -13.064 156 HD2 PHE 19 HD2 PHE 19 -14.367 -5.460 -13.601 157 HE1 PHE 19 HE1 PHE 19 -11.590 -9.534 -12.933 158 HE2 PHE 19 HE2 PHE 19 -15.447 -7.680 -13.429 159 HZ PHE 19 HZ PHE 19 -14.066 -9.729 -13.121 160 H ASN 20 H ASN 20 -11.116 -6.530 -16.309 161 HA ASN 20 HA ASN 20 -13.368 -5.638 -18.032 162 HB2 ASN 20 HB2 ASN 20 -11.140 -6.114 -19.075 163 HB3 ASN 20 HB3 ASN 20 -11.309 -7.797 -18.561 164 HD21 ASN 20 HD21 ASN 20 -13.302 -6.486 -21.847 165 HD22 ASN 20 HD22 ASN 20 -12.178 -5.459 -20.969 166 H HIS 21 H HIS 21 -15.313 -6.425 -17.478 167 HA HIS 21 HA HIS 21 -15.523 -8.632 -15.617 168 HB2 HIS 21 HB2 HIS 21 -17.686 -7.998 -15.310 169 HB3 HIS 21 HB3 HIS 21 -16.974 -6.477 -15.841 170 HD2 HIS 21 HD2 HIS 21 -17.905 -5.434 -18.137 171 HE1 HIS 21 HE1 HIS 21 -20.813 -8.423 -19.017 172 HE2 HIS 21 HE2 HIS 21 -19.952 -6.113 -19.647 173 H ILE 22 H ILE 22 -15.560 -8.548 -19.047 174 HA ILE 22 HA ILE 22 -17.091 -11.019 -19.423 175 HB ILE 22 HB ILE 22 -15.507 -9.290 -21.363 176 HG12 ILE 22 HG12 ILE 22 -18.507 -9.448 -20.798 177 HG13 ILE 22 HG13 ILE 22 -17.426 -8.130 -20.311 178 HG21 ILE 22 HG21 ILE 22 -17.468 -11.552 -21.947 179 HG22 ILE 22 HG22 ILE 22 -16.715 -10.491 -23.158 180 HG23 ILE 22 HG23 ILE 22 -15.714 -11.593 -22.233 181 HD11 ILE 22 HD11 ILE 22 -18.590 -7.344 -22.188 182 HD12 ILE 22 HD12 ILE 22 -16.942 -7.696 -22.747 183 HD13 ILE 22 HD13 ILE 22 -18.277 -8.813 -23.130 184 H THR 23 H THR 23 -13.689 -10.054 -19.448 185 HA THR 23 HA THR 23 -12.819 -12.879 -19.930 186 HB THR 23 HB THR 23 -10.722 -11.948 -20.719 187 HG1 THR 23 HG1 THR 23 -11.926 -9.421 -20.398 188 HG21 THR 23 HG21 THR 23 -11.456 -10.849 -22.749 189 HG22 THR 23 HG22 THR 23 -12.594 -12.150 -22.354 190 HG23 THR 23 HG23 THR 23 -13.035 -10.456 -22.038 191 H ASN 24 H ASN 24 -13.061 -10.763 -17.333 192 HA ASN 24 HA ASN 24 -12.237 -10.609 -15.292 193 HB2 ASN 24 HB2 ASN 24 -12.746 -13.182 -15.552 194 HB3 ASN 24 HB3 ASN 24 -10.991 -13.347 -15.376 195 HD21 ASN 24 HD21 ASN 24 -10.133 -11.977 -13.387 196 HD22 ASN 24 HD22 ASN 24 -11.104 -12.191 -11.917 197 H ALA 25 H ALA 25 -10.489 -9.805 -17.588 198 HA ALA 25 HA ALA 25 -7.757 -9.930 -16.523 199 HB1 ALA 25 HB1 ALA 25 -7.220 -8.538 -18.468 200 HB2 ALA 25 HB2 ALA 25 -8.207 -9.929 -18.956 201 HB3 ALA 25 HB3 ALA 25 -8.945 -8.317 -18.819 202 H SER 26 H SER 26 -6.518 -7.967 -15.968 203 HA SER 26 HA SER 26 -7.994 -5.527 -15.362 204 HB2 SER 26 HB2 SER 26 -7.292 -5.350 -13.025 205 HB3 SER 26 HB3 SER 26 -8.384 -6.713 -13.276 206 HG SER 26 HG SER 26 -6.618 -8.104 -13.216 207 H GLN 27 H GLN 27 -6.726 -3.682 -15.071 208 HA GLN 27 HA GLN 27 -3.813 -3.835 -15.050 209 HB2 GLN 27 HB2 GLN 27 -3.418 -2.715 -17.132 210 HB3 GLN 27 HB3 GLN 27 -4.313 -4.209 -17.431 211 HG2 GLN 27 HG2 GLN 27 -6.339 -3.027 -17.904 212 HG3 GLN 27 HG3 GLN 27 -5.665 -1.496 -17.365 213 HE21 GLN 27 HE21 GLN 27 -4.274 -0.345 -18.757 214 HE22 GLN 27 HE22 GLN 27 -3.884 -0.891 -20.398 215 H PHE 28 H PHE 28 -2.775 -1.723 -14.728 216 HA PHE 28 HA PHE 28 -4.425 -0.149 -12.898 217 HB2 PHE 28 HB2 PHE 28 -2.323 -0.915 -12.119 218 HB3 PHE 28 HB3 PHE 28 -1.480 -0.322 -13.558 219 HD1 PHE 28 HD1 PHE 28 -0.733 1.921 -13.752 220 HD2 PHE 28 HD2 PHE 28 -3.208 0.755 -10.426 221 HE1 PHE 28 HE1 PHE 28 -0.258 4.100 -12.642 222 HE2 PHE 28 HE2 PHE 28 -2.727 2.924 -9.304 223 HZ PHE 28 HZ PHE 28 -1.251 4.596 -10.406 224 H GLU 29 H GLU 29 -2.491 0.586 -15.819 225 HA GLU 29 HA GLU 29 -3.602 3.328 -16.019 226 HB2 GLU 29 HB2 GLU 29 -2.213 3.557 -17.962 227 HB3 GLU 29 HB3 GLU 29 -1.250 3.007 -16.601 228 HG2 GLU 29 HG2 GLU 29 -2.302 1.052 -18.698 229 HG3 GLU 29 HG3 GLU 29 -0.859 2.007 -18.971 230 H ARG 30 H ARG 30 -4.748 3.964 -18.132 231 HA ARG 30 HA ARG 30 -6.976 2.245 -18.177 232 HB2 ARG 30 HB2 ARG 30 -8.115 3.761 -19.647 233 HB3 ARG 30 HB3 ARG 30 -7.354 4.532 -18.283 234 HG2 ARG 30 HG2 ARG 30 -7.204 5.957 -20.131 235 HG3 ARG 30 HG3 ARG 30 -5.567 5.432 -19.718 236 HD2 ARG 30 HD2 ARG 30 -6.048 5.648 -22.178 237 HD3 ARG 30 HD3 ARG 30 -5.408 4.095 -21.689 238 HE ARG 30 HE ARG 30 -7.332 3.070 -22.449 239 HH11 ARG 30 HH11 ARG 30 -8.212 6.465 -22.123 240 HH12 ARG 30 HH12 ARG 30 -9.771 6.172 -22.860 241 HH21 ARG 30 HH21 ARG 30 -9.230 2.810 -23.299 242 HH22 ARG 30 HH22 ARG 30 -10.370 4.150 -23.471 243 HA PRO 31 HA PRO 31 -6.202 -0.710 -21.282 244 HB2 PRO 31 HB2 PRO 31 -8.711 -1.688 -21.759 245 HB3 PRO 31 HB3 PRO 31 -7.836 -1.932 -20.212 246 HG2 PRO 31 HG2 PRO 31 -9.885 0.218 -20.861 247 HG3 PRO 31 HG3 PRO 31 -9.863 -0.888 -19.448 248 HD2 PRO 31 HD2 PRO 31 -8.870 1.608 -19.246 249 HD3 PRO 31 HD3 PRO 31 -8.021 0.224 -18.490 250 H SER 32 H SER 32 -6.202 -1.131 -23.459 251 HA SER 32 HA SER 32 -7.607 0.790 -25.284 252 HB2 SER 32 HB2 SER 32 -4.723 -0.137 -25.511 253 HB3 SER 32 HB3 SER 32 -5.586 0.933 -26.642 254 HG SER 32 HG SER 32 -4.930 1.442 -23.925 255 H GLY 33 H GLY 33 -7.609 -2.371 -24.527 256 HA2 GLY 33 HA2 GLY 33 -9.046 -3.252 -26.760 257 HA3 GLY 33 HA3 GLY 33 -7.379 -3.753 -27.051 258 H1 4N2 101 H1 4N2 34 -3.492 -0.588 -3.721 259 H2 4N2 101 H2 4N2 34 -4.186 -2.951 -3.692 260 H3 4N2 101 H3 4N2 34 -2.265 -3.981 -4.982 261 H4 4N2 101 H4 4N2 34 -0.263 -2.501 -5.426 262 H5 4N2 101 H5 4N2 34 -1.164 -0.343 -4.750 263 H62 4N2 101 H62 4N2 34 1.062 -1.058 -2.783 264 H61 4N2 101 H61 4N2 34 1.312 -0.645 -4.482 265 HO2 4N2 101 H2O 4N2 34 -3.438 -3.788 -1.764 266 HO3 4N2 101 H3O 4N2 34 -3.636 -2.622 -6.143 267 HO4 4N2 101 H4O 4N2 34 -0.778 -3.577 -2.834 268 HO6 4N2 101 H6O 4N2 34 0.022 1.037 -2.556 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 -17.274 4.274 -22.841 2 H2 LYS 1 H2 LYS 1 -16.718 4.837 -24.277 3 H3 LYS 1 H3 LYS 1 -17.597 5.807 -23.304 4 HA LYS 1 HA LYS 1 -15.306 6.435 -23.215 5 HB2 LYS 1 HB2 LYS 1 -16.731 6.755 -21.217 6 HB3 LYS 1 HB3 LYS 1 -16.197 5.195 -20.580 7 HG2 LYS 1 HG2 LYS 1 -13.853 6.030 -20.498 8 HG3 LYS 1 HG3 LYS 1 -14.354 7.533 -21.280 9 HD2 LYS 1 HD2 LYS 1 -14.078 7.964 -18.940 10 HD3 LYS 1 HD3 LYS 1 -15.804 8.055 -19.315 11 HE2 LYS 1 HE2 LYS 1 -16.088 5.721 -18.442 12 HE3 LYS 1 HE3 LYS 1 -14.360 5.672 -18.058 13 HZ1 LYS 1 HZ1 LYS 1 -15.698 6.282 -16.120 14 HZ2 LYS 1 HZ2 LYS 1 -14.727 7.534 -16.525 15 HZ3 LYS 1 HZ3 LYS 1 -16.319 7.580 -16.890 16 H LEU 2 H LEU 2 -15.392 3.265 -21.447 17 HA LEU 2 HA LEU 2 -12.644 2.711 -22.338 18 HB2 LEU 2 HB2 LEU 2 -14.573 1.135 -20.586 19 HB3 LEU 2 HB3 LEU 2 -12.962 0.634 -20.991 20 HG LEU 2 HG LEU 2 -12.558 1.398 -18.947 21 HD11 LEU 2 HD11 LEU 2 -11.393 3.501 -18.949 22 HD12 LEU 2 HD12 LEU 2 -11.096 2.691 -20.493 23 HD13 LEU 2 HD13 LEU 2 -12.246 4.049 -20.396 24 HD21 LEU 2 HD21 LEU 2 -13.588 3.277 -17.818 25 HD22 LEU 2 HD22 LEU 2 -14.503 3.693 -19.289 26 HD23 LEU 2 HD23 LEU 2 -14.805 2.154 -18.443 27 HA PRO 3 HA PRO 3 -13.718 -0.112 -25.666 28 HB2 PRO 3 HB2 PRO 3 -11.750 -2.036 -25.461 29 HB3 PRO 3 HB3 PRO 3 -11.466 -0.378 -26.080 30 HG2 PRO 3 HG2 PRO 3 -11.016 -1.418 -23.266 31 HG3 PRO 3 HG3 PRO 3 -9.881 -0.496 -24.290 32 HD2 PRO 3 HD2 PRO 3 -11.400 0.712 -22.419 33 HD3 PRO 3 HD3 PRO 3 -11.099 1.500 -23.986 34 HA PRO 4 HA PRO 4 -16.464 -3.095 -24.402 35 HB2 PRO 4 HB2 PRO 4 -15.003 -5.302 -25.876 36 HB3 PRO 4 HB3 PRO 4 -16.761 -4.932 -25.853 37 HG2 PRO 4 HG2 PRO 4 -15.262 -4.058 -27.914 38 HG3 PRO 4 HG3 PRO 4 -16.421 -2.927 -27.135 39 HD2 PRO 4 HD2 PRO 4 -13.430 -3.149 -26.712 40 HD3 PRO 4 HD3 PRO 4 -14.437 -1.685 -26.940 41 H GLY 5 H GLY 5 -16.964 -4.082 -22.603 42 HA2 GLY 5 HA2 GLY 5 -16.966 -5.572 -20.838 43 HA3 GLY 5 HA3 GLY 5 -15.410 -6.228 -21.375 44 H TRP 6 H TRP 6 -14.426 -3.196 -21.237 45 HA TRP 6 HA TRP 6 -13.322 -3.520 -18.553 46 HB2 TRP 6 HB2 TRP 6 -12.866 -1.508 -20.748 47 HB3 TRP 6 HB3 TRP 6 -12.029 -1.464 -19.193 48 HD1 TRP 6 HD1 TRP 6 -12.165 -3.277 -22.510 49 HE1 TRP 6 HE1 TRP 6 -10.120 -4.792 -22.805 50 HE3 TRP 6 HE3 TRP 6 -10.269 -3.016 -17.751 51 HZ2 TRP 6 HZ2 TRP 6 -8.142 -6.000 -21.128 52 HZ3 TRP 6 HZ3 TRP 6 -8.265 -4.365 -17.140 53 HH2 TRP 6 HH2 TRP 6 -7.215 -5.879 -18.797 54 H GLU 7 H GLU 7 -13.655 -2.378 -16.758 55 HA GLU 7 HA GLU 7 -15.083 0.208 -16.754 56 HB2 GLU 7 HB2 GLU 7 -16.821 -1.569 -16.544 57 HB3 GLU 7 HB3 GLU 7 -15.996 -2.194 -15.110 58 HG2 GLU 7 HG2 GLU 7 -16.478 -0.147 -13.882 59 HG3 GLU 7 HG3 GLU 7 -17.042 0.655 -15.353 60 H LYS 8 H LYS 8 -14.728 1.423 -14.754 61 HA LYS 8 HA LYS 8 -12.140 0.965 -13.533 62 HB2 LYS 8 HB2 LYS 8 -14.319 3.030 -13.094 63 HB3 LYS 8 HB3 LYS 8 -12.899 2.922 -12.038 64 HG2 LYS 8 HG2 LYS 8 -11.388 3.145 -13.950 65 HG3 LYS 8 HG3 LYS 8 -12.778 3.198 -15.054 66 HD2 LYS 8 HD2 LYS 8 -12.030 5.447 -14.782 67 HD3 LYS 8 HD3 LYS 8 -13.530 5.308 -13.845 68 HE2 LYS 8 HE2 LYS 8 -12.148 4.955 -11.773 69 HE3 LYS 8 HE3 LYS 8 -10.682 5.130 -12.751 70 HZ1 LYS 8 HZ1 LYS 8 -12.745 7.236 -12.374 71 HZ2 LYS 8 HZ2 LYS 8 -11.279 7.215 -11.658 72 HZ3 LYS 8 HZ3 LYS 8 -11.390 7.401 -13.276 73 H ARG 9 H ARG 9 -11.600 0.492 -11.586 74 HA ARG 9 HA ARG 9 -13.469 -0.354 -9.449 75 HB2 ARG 9 HB2 ARG 9 -13.037 -2.306 -11.029 76 HB3 ARG 9 HB3 ARG 9 -11.347 -2.263 -10.536 77 HG2 ARG 9 HG2 ARG 9 -11.914 -2.890 -8.278 78 HG3 ARG 9 HG3 ARG 9 -13.643 -2.575 -8.538 79 HD2 ARG 9 HD2 ARG 9 -12.098 -4.704 -10.069 80 HD3 ARG 9 HD3 ARG 9 -12.879 -5.007 -8.500 81 HE ARG 9 HE ARG 9 -14.772 -3.817 -10.295 82 HH11 ARG 9 HH11 ARG 9 -16.442 -5.031 -11.107 83 HH12 ARG 9 HH12 ARG 9 -16.309 -6.768 -11.156 84 HH21 ARG 9 HH21 ARG 9 -13.171 -6.890 -9.787 85 HH22 ARG 9 HH22 ARG 9 -14.493 -7.792 -10.480 86 H MET 10 H MET 10 -12.087 -1.012 -7.420 87 HA MET 10 HA MET 10 -9.526 0.427 -7.217 88 HB2 MET 10 HB2 MET 10 -11.401 2.147 -7.023 89 HB3 MET 10 HB3 MET 10 -11.935 1.291 -5.564 90 HG2 MET 10 HG2 MET 10 -9.615 1.727 -4.601 91 HG3 MET 10 HG3 MET 10 -9.274 2.674 -6.041 92 HE1 MET 10 HE1 MET 10 -12.075 3.837 -2.560 93 HE2 MET 10 HE2 MET 10 -12.455 2.434 -3.580 94 HE3 MET 10 HE3 MET 10 -10.969 2.447 -2.602 95 H PHE 11 H PHE 11 -8.268 -0.243 -5.563 96 HA PHE 11 HA PHE 11 -9.025 -2.569 -3.941 97 HB2 PHE 11 HB2 PHE 11 -6.526 -0.841 -4.078 98 HB3 PHE 11 HB3 PHE 11 -6.697 -2.226 -3.016 99 HD1 PHE 11 HD1 PHE 11 -6.003 -1.157 -6.444 100 HD2 PHE 11 HD2 PHE 11 -6.937 -4.539 -3.938 101 HE1 PHE 11 HE1 PHE 11 -5.186 -2.692 -8.212 102 HE2 PHE 11 HE2 PHE 11 -6.104 -6.073 -5.705 103 HZ PHE 11 HZ PHE 11 -5.229 -5.152 -7.846 104 H ALA 12 H ALA 12 -8.942 -2.627 -1.617 105 HA ALA 12 HA ALA 12 -10.433 -0.619 -0.311 106 HB1 ALA 12 HB1 ALA 12 -9.958 -1.949 1.712 107 HB2 ALA 12 HB2 ALA 12 -10.346 -3.001 0.338 108 HB3 ALA 12 HB3 ALA 12 -8.654 -2.806 0.861 109 H ASN 13 H ASN 13 -7.008 -0.693 -0.843 110 HA ASN 13 HA ASN 13 -6.319 1.224 1.259 111 HB2 ASN 13 HB2 ASN 13 -4.067 1.066 0.340 112 HB3 ASN 13 HB3 ASN 13 -4.768 -0.540 0.579 113 HD21 ASN 13 HD21 ASN 13 -3.281 -1.475 -0.906 114 H GLY 14 H GLY 14 -7.934 1.667 -1.657 115 HA2 GLY 14 HA2 GLY 14 -8.674 3.743 -2.454 116 HA3 GLY 14 HA3 GLY 14 -7.298 4.566 -1.704 117 H THR 15 H THR 15 -6.393 1.782 -3.582 118 HA THR 15 HA THR 15 -5.278 3.546 -5.700 119 HB THR 15 HB THR 15 -4.821 0.583 -5.218 120 HG1 THR 15 HG1 THR 15 -4.018 1.665 -3.551 121 HG21 THR 15 HG21 THR 15 -3.314 2.600 -6.939 122 HG22 THR 15 HG22 THR 15 -2.783 0.941 -6.588 123 HG23 THR 15 HG23 THR 15 -4.254 1.208 -7.529 124 H VAL 16 H VAL 16 -6.157 3.744 -7.668 125 HA VAL 16 HA VAL 16 -8.564 2.169 -8.349 126 HB VAL 16 HB VAL 16 -7.405 4.773 -9.377 127 HG11 VAL 16 HG11 VAL 16 -8.514 3.742 -11.292 128 HG12 VAL 16 HG12 VAL 16 -9.948 3.374 -10.300 129 HG13 VAL 16 HG13 VAL 16 -9.502 5.057 -10.659 130 HG21 VAL 16 HG21 VAL 16 -9.988 4.145 -7.878 131 HG22 VAL 16 HG22 VAL 16 -8.530 4.855 -7.150 132 HG23 VAL 16 HG23 VAL 16 -9.426 5.752 -8.379 133 H TYR 17 H TYR 17 -8.874 1.035 -10.194 134 HA TYR 17 HA TYR 17 -6.791 0.775 -12.243 135 HB2 TYR 17 HB2 TYR 17 -6.465 -1.579 -11.976 136 HB3 TYR 17 HB3 TYR 17 -6.087 -0.805 -10.465 137 HD1 TYR 17 HD1 TYR 17 -7.652 -1.040 -8.499 138 HD2 TYR 17 HD2 TYR 17 -8.185 -3.257 -12.162 139 HE1 TYR 17 HE1 TYR 17 -8.932 -2.780 -7.265 140 HE2 TYR 17 HE2 TYR 17 -9.531 -4.957 -10.936 141 HH TYR 17 HH TYR 17 -9.853 -4.870 -7.384 142 H TYR 18 H TYR 18 -7.591 -1.101 -13.808 143 HA TYR 18 HA TYR 18 -10.508 -0.735 -14.347 144 HB2 TYR 18 HB2 TYR 18 -8.208 -0.930 -16.323 145 HB3 TYR 18 HB3 TYR 18 -9.929 -0.871 -16.734 146 HD1 TYR 18 HD1 TYR 18 -11.127 1.211 -16.826 147 HD2 TYR 18 HD2 TYR 18 -7.128 1.081 -15.208 148 HE1 TYR 18 HE1 TYR 18 -11.084 3.698 -16.695 149 HE2 TYR 18 HE2 TYR 18 -7.116 3.560 -15.025 150 HH TYR 18 HH TYR 18 -8.305 5.486 -15.356 151 H PHE 19 H PHE 19 -11.675 -2.515 -14.660 152 HA PHE 19 HA PHE 19 -10.338 -5.188 -14.822 153 HB2 PHE 19 HB2 PHE 19 -11.065 -4.961 -12.579 154 HB3 PHE 19 HB3 PHE 19 -12.610 -4.256 -13.044 155 HD1 PHE 19 HD1 PHE 19 -10.640 -7.393 -12.855 156 HD2 PHE 19 HD2 PHE 19 -14.495 -5.681 -13.786 157 HE1 PHE 19 HE1 PHE 19 -11.659 -9.653 -12.817 158 HE2 PHE 19 HE2 PHE 19 -15.510 -7.933 -13.691 159 HZ PHE 19 HZ PHE 19 -14.096 -9.929 -13.228 160 H ASN 20 H ASN 20 -11.205 -6.652 -16.188 161 HA ASN 20 HA ASN 20 -13.373 -5.714 -17.987 162 HB2 ASN 20 HB2 ASN 20 -11.129 -6.189 -18.944 163 HB3 ASN 20 HB3 ASN 20 -11.314 -7.879 -18.459 164 HD21 ASN 20 HD21 ASN 20 -11.430 -6.058 -21.110 165 HD22 ASN 20 HD22 ASN 20 -12.742 -6.831 -21.984 166 H HIS 21 H HIS 21 -15.337 -6.510 -17.606 167 HA HIS 21 HA HIS 21 -15.702 -8.766 -15.808 168 HB2 HIS 21 HB2 HIS 21 -17.860 -8.084 -15.606 169 HB3 HIS 21 HB3 HIS 21 -17.089 -6.565 -16.048 170 HD2 HIS 21 HD2 HIS 21 -17.844 -5.434 -18.364 171 HE1 HIS 21 HE1 HIS 21 -20.750 -8.329 -19.526 172 HE2 HIS 21 HE2 HIS 21 -19.797 -6.022 -20.027 173 H ILE 22 H ILE 22 -15.390 -8.596 -19.202 174 HA ILE 22 HA ILE 22 -16.955 -11.036 -19.782 175 HB ILE 22 HB ILE 22 -15.274 -9.239 -21.579 176 HG12 ILE 22 HG12 ILE 22 -18.300 -9.357 -21.131 177 HG13 ILE 22 HG13 ILE 22 -17.219 -8.064 -20.583 178 HG21 ILE 22 HG21 ILE 22 -15.508 -11.523 -22.517 179 HG22 ILE 22 HG22 ILE 22 -17.272 -11.425 -22.320 180 HG23 ILE 22 HG23 ILE 22 -16.418 -10.360 -23.458 181 HD11 ILE 22 HD11 ILE 22 -16.652 -7.591 -22.995 182 HD12 ILE 22 HD12 ILE 22 -17.986 -8.686 -23.442 183 HD13 ILE 22 HD13 ILE 22 -18.314 -7.232 -22.485 184 H THR 23 H THR 23 -13.559 -9.971 -19.673 185 HA THR 23 HA THR 23 -12.601 -12.724 -20.280 186 HB THR 23 HB THR 23 -10.502 -11.697 -20.847 187 HG1 THR 23 HG1 THR 23 -10.602 -9.293 -20.786 188 HG21 THR 23 HG21 THR 23 -11.099 -10.274 -22.700 189 HG22 THR 23 HG22 THR 23 -12.345 -11.527 -22.566 190 HG23 THR 23 HG23 THR 23 -12.673 -9.878 -21.986 191 H ASN 24 H ASN 24 -13.089 -10.865 -17.519 192 HA ASN 24 HA ASN 24 -12.411 -10.850 -15.414 193 HB2 ASN 24 HB2 ASN 24 -12.922 -13.319 -15.674 194 HB3 ASN 24 HB3 ASN 24 -11.177 -13.587 -15.824 195 HD21 ASN 24 HD21 ASN 24 -10.991 -13.854 -12.311 196 HD22 ASN 24 HD22 ASN 24 -10.467 -14.436 -13.894 197 H ALA 25 H ALA 25 -10.478 -9.989 -17.643 198 HA ALA 25 HA ALA 25 -7.845 -10.102 -16.384 199 HB1 ALA 25 HB1 ALA 25 -7.172 -8.726 -18.290 200 HB2 ALA 25 HB2 ALA 25 -8.168 -10.085 -18.846 201 HB3 ALA 25 HB3 ALA 25 -8.868 -8.452 -18.730 202 H SER 26 H SER 26 -6.609 -8.155 -15.801 203 HA SER 26 HA SER 26 -8.082 -5.689 -15.260 204 HB2 SER 26 HB2 SER 26 -7.372 -5.508 -12.920 205 HB3 SER 26 HB3 SER 26 -8.470 -6.867 -13.173 206 HG SER 26 HG SER 26 -6.701 -7.464 -11.875 207 H GLN 27 H GLN 27 -6.801 -3.853 -15.008 208 HA GLN 27 HA GLN 27 -3.892 -4.041 -14.913 209 HB2 GLN 27 HB2 GLN 27 -3.402 -2.937 -16.967 210 HB3 GLN 27 HB3 GLN 27 -4.377 -4.361 -17.336 211 HG2 GLN 27 HG2 GLN 27 -6.360 -2.952 -17.703 212 HG3 GLN 27 HG3 GLN 27 -5.465 -1.522 -17.206 213 HE21 GLN 27 HE21 GLN 27 -5.049 -0.292 -18.983 214 HE22 GLN 27 HE22 GLN 27 -4.437 -0.940 -20.520 215 H PHE 28 H PHE 28 -2.863 -1.993 -14.427 216 HA PHE 28 HA PHE 28 -4.503 -0.362 -12.707 217 HB2 PHE 28 HB2 PHE 28 -2.306 -0.987 -12.051 218 HB3 PHE 28 HB3 PHE 28 -1.598 -0.391 -13.559 219 HD1 PHE 28 HD1 PHE 28 -0.922 1.849 -13.829 220 HD2 PHE 28 HD2 PHE 28 -3.213 0.701 -10.370 221 HE1 PHE 28 HE1 PHE 28 -0.446 4.063 -12.786 222 HE2 PHE 28 HE2 PHE 28 -2.740 2.910 -9.320 223 HZ PHE 28 HZ PHE 28 -1.353 4.588 -10.521 224 H GLU 29 H GLU 29 -3.063 0.220 -15.912 225 HA GLU 29 HA GLU 29 -3.874 3.063 -15.857 226 HB2 GLU 29 HB2 GLU 29 -2.470 3.351 -17.762 227 HB3 GLU 29 HB3 GLU 29 -1.599 2.453 -16.514 228 HG2 GLU 29 HG2 GLU 29 -2.227 0.314 -17.789 229 HG3 GLU 29 HG3 GLU 29 -2.805 1.355 -19.092 230 H ARG 30 H ARG 30 -5.013 4.084 -17.603 231 HA ARG 30 HA ARG 30 -7.489 2.825 -18.084 232 HB2 ARG 30 HB2 ARG 30 -7.237 5.187 -17.776 233 HB3 ARG 30 HB3 ARG 30 -6.287 5.363 -19.238 234 HG2 ARG 30 HG2 ARG 30 -9.031 4.141 -19.507 235 HG3 ARG 30 HG3 ARG 30 -8.954 5.859 -19.088 236 HD2 ARG 30 HD2 ARG 30 -8.257 6.504 -21.141 237 HD3 ARG 30 HD3 ARG 30 -7.117 5.176 -21.283 238 HE ARG 30 HE ARG 30 -8.710 3.786 -22.256 239 HH11 ARG 30 HH11 ARG 30 -10.331 6.831 -21.538 240 HH12 ARG 30 HH12 ARG 30 -11.618 6.448 -22.658 241 HH21 ARG 30 HH21 ARG 30 -10.289 3.430 -23.594 242 HH22 ARG 30 HH22 ARG 30 -11.665 4.528 -23.701 243 HA PRO 31 HA PRO 31 -6.224 0.346 -21.550 244 HB2 PRO 31 HB2 PRO 31 -8.564 -0.965 -22.129 245 HB3 PRO 31 HB3 PRO 31 -7.577 -1.299 -20.672 246 HG2 PRO 31 HG2 PRO 31 -9.977 0.548 -20.890 247 HG3 PRO 31 HG3 PRO 31 -9.704 -0.759 -19.701 248 HD2 PRO 31 HD2 PRO 31 -9.142 1.808 -19.110 249 HD3 PRO 31 HD3 PRO 31 -8.020 0.507 -18.595 250 H SER 32 H SER 32 -5.993 0.615 -23.689 251 HA SER 32 HA SER 32 -5.994 1.667 -25.682 252 HB2 SER 32 HB2 SER 32 -9.006 1.373 -25.504 253 HB3 SER 32 HB3 SER 32 -8.062 1.688 -26.980 254 HG SER 32 HG SER 32 -7.848 -0.587 -25.291 255 H GLY 33 H GLY 33 -5.798 3.464 -23.505 256 HA2 GLY 33 HA2 GLY 33 -7.225 5.939 -23.960 257 HA3 GLY 33 HA3 GLY 33 -5.716 5.738 -23.067 258 H1 4N2 101 H1 4N2 34 -3.644 -0.731 -3.756 259 H2 4N2 101 H2 4N2 34 -4.188 -3.106 -3.522 260 H3 4N2 101 H3 4N2 34 -2.246 -4.137 -4.807 261 H4 4N2 101 H4 4N2 34 -0.371 -2.580 -5.466 262 H5 4N2 101 H5 4N2 34 -1.435 -0.431 -4.925 263 H62 4N2 101 H62 4N2 34 0.312 0.712 -3.557 264 H61 4N2 101 H61 4N2 34 1.035 -0.853 -3.179 265 HO2 4N2 101 H2O 4N2 34 -3.029 -4.539 -2.309 266 HO3 4N2 101 H3O 4N2 34 -3.768 -2.950 -6.001 267 HO4 4N2 101 H4O 4N2 34 -0.667 -3.358 -2.724 268 HO6 4N2 101 H6O 4N2 34 2.031 0.168 -5.013 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 -16.308 5.986 -23.608 2 H2 LYS 1 H2 LYS 1 -17.515 6.540 -22.662 3 H3 LYS 1 H3 LYS 1 -17.244 4.932 -22.774 4 HA LYS 1 HA LYS 1 -15.410 6.924 -21.609 5 HB2 LYS 1 HB2 LYS 1 -17.440 6.498 -20.222 6 HB3 LYS 1 HB3 LYS 1 -17.004 4.796 -20.125 7 HG2 LYS 1 HG2 LYS 1 -14.778 5.553 -19.068 8 HG3 LYS 1 HG3 LYS 1 -15.425 7.193 -19.086 9 HD2 LYS 1 HD2 LYS 1 -15.785 6.355 -16.893 10 HD3 LYS 1 HD3 LYS 1 -17.372 6.344 -17.677 11 HE2 LYS 1 HE2 LYS 1 -17.062 3.890 -18.167 12 HE3 LYS 1 HE3 LYS 1 -15.496 3.949 -17.347 13 HZ1 LYS 1 HZ1 LYS 1 -17.147 3.147 -15.834 14 HZ2 LYS 1 HZ2 LYS 1 -16.718 4.636 -15.317 15 HZ3 LYS 1 HZ3 LYS 1 -18.143 4.424 -16.095 16 H LEU 2 H LEU 2 -15.794 3.412 -21.022 17 HA LEU 2 HA LEU 2 -12.913 2.995 -21.609 18 HB2 LEU 2 HB2 LEU 2 -14.836 1.994 -19.590 19 HB3 LEU 2 HB3 LEU 2 -14.019 0.699 -20.423 20 HG LEU 2 HG LEU 2 -11.837 1.589 -19.827 21 HD11 LEU 2 HD11 LEU 2 -12.214 3.984 -19.735 22 HD12 LEU 2 HD12 LEU 2 -13.302 3.792 -18.338 23 HD13 LEU 2 HD13 LEU 2 -11.572 3.407 -18.188 24 HD21 LEU 2 HD21 LEU 2 -13.303 0.159 -18.258 25 HD22 LEU 2 HD22 LEU 2 -11.858 0.913 -17.618 26 HD23 LEU 2 HD23 LEU 2 -13.467 1.622 -17.280 27 HA PRO 3 HA PRO 3 -13.853 0.511 -25.134 28 HB2 PRO 3 HB2 PRO 3 -11.835 -1.337 -25.214 29 HB3 PRO 3 HB3 PRO 3 -11.582 0.416 -25.474 30 HG2 PRO 3 HG2 PRO 3 -11.066 -1.205 -22.996 31 HG3 PRO 3 HG3 PRO 3 -10.084 0.099 -23.694 32 HD2 PRO 3 HD2 PRO 3 -11.925 0.341 -21.604 33 HD3 PRO 3 HD3 PRO 3 -11.351 1.719 -22.586 34 HA PRO 4 HA PRO 4 -16.555 -2.712 -24.448 35 HB2 PRO 4 HB2 PRO 4 -14.986 -4.591 -26.233 36 HB3 PRO 4 HB3 PRO 4 -16.757 -4.296 -26.186 37 HG2 PRO 4 HG2 PRO 4 -15.272 -3.031 -28.042 38 HG3 PRO 4 HG3 PRO 4 -16.479 -2.090 -27.099 39 HD2 PRO 4 HD2 PRO 4 -13.486 -2.276 -26.668 40 HD3 PRO 4 HD3 PRO 4 -14.543 -0.829 -26.667 41 H GLY 5 H GLY 5 -17.017 -3.952 -22.803 42 HA2 GLY 5 HA2 GLY 5 -16.954 -5.676 -21.253 43 HA3 GLY 5 HA3 GLY 5 -15.370 -6.185 -21.866 44 H TRP 6 H TRP 6 -14.592 -3.097 -21.312 45 HA TRP 6 HA TRP 6 -13.543 -3.718 -18.630 46 HB2 TRP 6 HB2 TRP 6 -12.989 -1.453 -20.549 47 HB3 TRP 6 HB3 TRP 6 -12.216 -1.656 -18.976 48 HD1 TRP 6 HD1 TRP 6 -12.281 -3.143 -22.474 49 HE1 TRP 6 HE1 TRP 6 -10.176 -4.548 -22.858 50 HE3 TRP 6 HE3 TRP 6 -10.421 -3.137 -17.694 51 HZ2 TRP 6 HZ2 TRP 6 -8.126 -5.773 -21.250 52 HZ3 TRP 6 HZ3 TRP 6 -8.365 -4.447 -17.157 53 HH2 TRP 6 HH2 TRP 6 -7.234 -5.782 -18.910 54 H GLU 7 H GLU 7 -13.862 -2.621 -16.768 55 HA GLU 7 HA GLU 7 -15.409 -0.116 -16.701 56 HB2 GLU 7 HB2 GLU 7 -17.067 -1.954 -16.442 57 HB3 GLU 7 HB3 GLU 7 -16.158 -2.584 -15.075 58 HG2 GLU 7 HG2 GLU 7 -18.164 -1.368 -14.380 59 HG3 GLU 7 HG3 GLU 7 -16.713 -0.625 -13.739 60 H LYS 8 H LYS 8 -15.112 1.069 -14.677 61 HA LYS 8 HA LYS 8 -12.443 0.833 -13.523 62 HB2 LYS 8 HB2 LYS 8 -14.808 2.680 -13.076 63 HB3 LYS 8 HB3 LYS 8 -13.424 2.678 -11.972 64 HG2 LYS 8 HG2 LYS 8 -11.873 3.160 -13.774 65 HG3 LYS 8 HG3 LYS 8 -13.174 3.041 -14.977 66 HD2 LYS 8 HD2 LYS 8 -12.693 5.374 -14.578 67 HD3 LYS 8 HD3 LYS 8 -14.292 5.015 -13.906 68 HE2 LYS 8 HE2 LYS 8 -13.294 4.833 -11.634 69 HE3 LYS 8 HE3 LYS 8 -11.688 5.140 -12.308 70 HZ1 LYS 8 HZ1 LYS 8 -12.477 7.338 -13.003 71 HZ2 LYS 8 HZ2 LYS 8 -13.962 7.052 -12.382 72 HZ3 LYS 8 HZ3 LYS 8 -12.670 7.160 -11.393 73 H ARG 9 H ARG 9 -11.846 0.335 -11.578 74 HA ARG 9 HA ARG 9 -13.663 -0.598 -9.444 75 HB2 ARG 9 HB2 ARG 9 -13.147 -2.533 -11.048 76 HB3 ARG 9 HB3 ARG 9 -11.485 -2.466 -10.477 77 HG2 ARG 9 HG2 ARG 9 -12.148 -3.104 -8.247 78 HG3 ARG 9 HG3 ARG 9 -13.864 -2.784 -8.579 79 HD2 ARG 9 HD2 ARG 9 -12.268 -4.924 -10.040 80 HD3 ARG 9 HD3 ARG 9 -13.132 -5.220 -8.512 81 HE ARG 9 HE ARG 9 -14.915 -4.007 -10.401 82 HH11 ARG 9 HH11 ARG 9 -16.428 -6.931 -11.383 83 HH12 ARG 9 HH12 ARG 9 -16.540 -5.192 -11.331 84 HH21 ARG 9 HH21 ARG 9 -14.676 -7.983 -10.597 85 HH22 ARG 9 HH22 ARG 9 -13.391 -7.107 -9.810 86 H MET 10 H MET 10 -12.269 -1.209 -7.408 87 HA MET 10 HA MET 10 -9.847 0.470 -7.160 88 HB2 MET 10 HB2 MET 10 -11.758 2.037 -7.108 89 HB3 MET 10 HB3 MET 10 -12.485 1.116 -5.777 90 HG2 MET 10 HG2 MET 10 -10.611 1.716 -4.316 91 HG3 MET 10 HG3 MET 10 -9.802 2.542 -5.658 92 HE1 MET 10 HE1 MET 10 -10.308 3.878 -2.826 93 HE2 MET 10 HE2 MET 10 -9.507 4.705 -4.187 94 HE3 MET 10 HE3 MET 10 -10.833 5.505 -3.316 95 H PHE 11 H PHE 11 -8.563 -0.040 -5.515 96 HA PHE 11 HA PHE 11 -9.156 -2.358 -3.789 97 HB2 PHE 11 HB2 PHE 11 -6.681 -0.644 -4.202 98 HB3 PHE 11 HB3 PHE 11 -6.764 -1.993 -3.086 99 HD1 PHE 11 HD1 PHE 11 -7.119 -4.337 -3.936 100 HD2 PHE 11 HD2 PHE 11 -6.272 -1.022 -6.564 101 HE1 PHE 11 HE1 PHE 11 -6.377 -5.919 -5.702 102 HE2 PHE 11 HE2 PHE 11 -5.539 -2.609 -8.328 103 HZ PHE 11 HZ PHE 11 -5.584 -5.058 -7.898 104 H ALA 12 H ALA 12 -9.056 -2.323 -1.523 105 HA ALA 12 HA ALA 12 -10.212 -0.102 -0.184 106 HB1 ALA 12 HB1 ALA 12 -8.760 -2.543 0.929 107 HB2 ALA 12 HB2 ALA 12 -9.871 -1.486 1.827 108 HB3 ALA 12 HB3 ALA 12 -10.481 -2.463 0.479 109 H ASN 13 H ASN 13 -6.880 -0.641 -0.931 110 HA ASN 13 HA ASN 13 -5.792 1.091 1.159 111 HB2 ASN 13 HB2 ASN 13 -3.663 0.722 0.065 112 HB3 ASN 13 HB3 ASN 13 -4.528 -0.810 0.256 113 HD21 ASN 13 HD21 ASN 13 -3.015 -1.598 -1.349 114 H GLY 14 H GLY 14 -7.605 1.854 -1.549 115 HA2 GLY 14 HA2 GLY 14 -8.179 4.087 -2.083 116 HA3 GLY 14 HA3 GLY 14 -6.577 4.650 -1.590 117 H THR 15 H THR 15 -6.262 1.884 -3.586 118 HA THR 15 HA THR 15 -5.353 3.599 -5.831 119 HB THR 15 HB THR 15 -5.006 0.609 -5.450 120 HG1 THR 15 HG1 THR 15 -3.973 1.579 -3.846 121 HG21 THR 15 HG21 THR 15 -3.112 0.897 -7.015 122 HG22 THR 15 HG22 THR 15 -4.647 1.301 -7.790 123 HG23 THR 15 HG23 THR 15 -3.559 2.602 -7.248 124 H VAL 16 H VAL 16 -6.441 3.857 -7.697 125 HA VAL 16 HA VAL 16 -8.851 2.220 -8.275 126 HB VAL 16 HB VAL 16 -7.854 4.880 -9.329 127 HG11 VAL 16 HG11 VAL 16 -10.009 5.042 -10.544 128 HG12 VAL 16 HG12 VAL 16 -8.967 3.781 -11.201 129 HG13 VAL 16 HG13 VAL 16 -10.344 3.338 -10.162 130 HG21 VAL 16 HG21 VAL 16 -10.334 4.099 -7.733 131 HG22 VAL 16 HG22 VAL 16 -8.901 4.913 -7.069 132 HG23 VAL 16 HG23 VAL 16 -9.907 5.739 -8.265 133 H TYR 17 H TYR 17 -9.138 1.069 -10.129 134 HA TYR 17 HA TYR 17 -7.031 0.868 -12.172 135 HB2 TYR 17 HB2 TYR 17 -6.577 -1.436 -11.856 136 HB3 TYR 17 HB3 TYR 17 -6.327 -0.663 -10.318 137 HD1 TYR 17 HD1 TYR 17 -8.089 -0.943 -8.480 138 HD2 TYR 17 HD2 TYR 17 -8.106 -3.256 -12.123 139 HE1 TYR 17 HE1 TYR 17 -9.352 -2.764 -7.331 140 HE2 TYR 17 HE2 TYR 17 -9.438 -5.027 -10.999 141 HH TYR 17 HH TYR 17 -10.026 -5.864 -8.913 142 H TYR 18 H TYR 18 -7.760 -1.113 -13.689 143 HA TYR 18 HA TYR 18 -10.683 -0.832 -14.250 144 HB2 TYR 18 HB2 TYR 18 -8.480 -1.071 -16.310 145 HB3 TYR 18 HB3 TYR 18 -10.192 -0.718 -16.579 146 HD1 TYR 18 HD1 TYR 18 -11.122 1.541 -15.728 147 HD2 TYR 18 HD2 TYR 18 -6.902 0.663 -15.832 148 HE1 TYR 18 HE1 TYR 18 -10.626 3.966 -15.735 149 HE2 TYR 18 HE2 TYR 18 -6.405 3.105 -15.753 150 HH TYR 18 HH TYR 18 -8.991 5.567 -15.713 151 H PHE 19 H PHE 19 -11.791 -2.655 -14.722 152 HA PHE 19 HA PHE 19 -10.348 -5.266 -14.940 153 HB2 PHE 19 HB2 PHE 19 -11.017 -5.167 -12.687 154 HB3 PHE 19 HB3 PHE 19 -12.585 -4.468 -13.064 155 HD1 PHE 19 HD1 PHE 19 -10.627 -7.575 -12.837 156 HD2 PHE 19 HD2 PHE 19 -14.453 -5.908 -13.956 157 HE1 PHE 19 HE1 PHE 19 -11.647 -9.830 -12.726 158 HE2 PHE 19 HE2 PHE 19 -15.468 -8.155 -13.799 159 HZ PHE 19 HZ PHE 19 -14.076 -10.124 -13.183 160 H ASN 20 H ASN 20 -11.169 -6.728 -16.330 161 HA ASN 20 HA ASN 20 -13.331 -5.809 -18.141 162 HB2 ASN 20 HB2 ASN 20 -11.072 -6.344 -19.037 163 HB3 ASN 20 HB3 ASN 20 -11.290 -8.019 -18.512 164 HD21 ASN 20 HD21 ASN 20 -11.278 -6.311 -21.230 165 HD22 ASN 20 HD22 ASN 20 -12.579 -7.105 -22.111 166 H HIS 21 H HIS 21 -15.332 -6.601 -17.851 167 HA HIS 21 HA HIS 21 -15.773 -8.774 -15.961 168 HB2 HIS 21 HB2 HIS 21 -17.927 -8.085 -15.855 169 HB3 HIS 21 HB3 HIS 21 -17.138 -6.582 -16.326 170 HD2 HIS 21 HD2 HIS 21 -17.844 -5.514 -18.676 171 HE1 HIS 21 HE1 HIS 21 -20.688 -8.460 -19.860 172 HE2 HIS 21 HE2 HIS 21 -19.741 -6.157 -20.384 173 H ILE 22 H ILE 22 -15.327 -8.728 -19.342 174 HA ILE 22 HA ILE 22 -16.871 -11.189 -19.889 175 HB ILE 22 HB ILE 22 -15.140 -9.462 -21.706 176 HG12 ILE 22 HG12 ILE 22 -18.172 -9.490 -21.293 177 HG13 ILE 22 HG13 ILE 22 -17.064 -8.199 -20.796 178 HG21 ILE 22 HG21 ILE 22 -16.275 -10.624 -23.565 179 HG22 ILE 22 HG22 ILE 22 -15.401 -11.768 -22.569 180 HG23 ILE 22 HG23 ILE 22 -17.167 -11.633 -22.405 181 HD11 ILE 22 HD11 ILE 22 -16.471 -7.840 -23.213 182 HD12 ILE 22 HD12 ILE 22 -17.815 -8.935 -23.632 183 HD13 ILE 22 HD13 ILE 22 -18.135 -7.436 -22.743 184 H THR 23 H THR 23 -13.476 -10.105 -19.761 185 HA THR 23 HA THR 23 -12.505 -12.891 -20.199 186 HB THR 23 HB THR 23 -10.396 -11.908 -20.784 187 HG1 THR 23 HG1 THR 23 -10.478 -9.499 -20.857 188 HG21 THR 23 HG21 THR 23 -12.214 -11.817 -22.539 189 HG22 THR 23 HG22 THR 23 -12.522 -10.129 -22.064 190 HG23 THR 23 HG23 THR 23 -10.944 -10.594 -22.727 191 H ASN 24 H ASN 24 -12.940 -10.732 -17.612 192 HA ASN 24 HA ASN 24 -12.285 -10.563 -15.502 193 HB2 ASN 24 HB2 ASN 24 -11.474 -13.473 -15.621 194 HB3 ASN 24 HB3 ASN 24 -11.877 -12.515 -14.182 195 HD21 ASN 24 HD21 ASN 24 -14.237 -11.166 -15.306 196 HD22 ASN 24 HD22 ASN 24 -15.451 -12.433 -15.482 197 H ALA 25 H ALA 25 -10.279 -10.048 -17.671 198 HA ALA 25 HA ALA 25 -7.712 -10.136 -16.267 199 HB1 ALA 25 HB1 ALA 25 -8.627 -8.584 -18.729 200 HB2 ALA 25 HB2 ALA 25 -6.950 -8.786 -18.176 201 HB3 ALA 25 HB3 ALA 25 -7.870 -10.195 -18.739 202 H SER 26 H SER 26 -6.552 -8.169 -15.617 203 HA SER 26 HA SER 26 -8.115 -5.718 -15.180 204 HB2 SER 26 HB2 SER 26 -7.442 -5.542 -12.799 205 HB3 SER 26 HB3 SER 26 -8.575 -6.853 -13.112 206 HG SER 26 HG SER 26 -5.758 -7.086 -12.746 207 H GLN 27 H GLN 27 -6.908 -3.849 -14.958 208 HA GLN 27 HA GLN 27 -3.982 -3.984 -14.810 209 HB2 GLN 27 HB2 GLN 27 -3.534 -2.885 -16.881 210 HB3 GLN 27 HB3 GLN 27 -4.466 -4.347 -17.209 211 HG2 GLN 27 HG2 GLN 27 -6.494 -3.015 -17.590 212 HG3 GLN 27 HG3 GLN 27 -5.637 -1.538 -17.167 213 HE21 GLN 27 HE21 GLN 27 -4.769 -0.416 -18.862 214 HE22 GLN 27 HE22 GLN 27 -4.302 -1.138 -20.411 215 H PHE 28 H PHE 28 -2.974 -2.010 -14.292 216 HA PHE 28 HA PHE 28 -4.666 -0.188 -12.760 217 HB2 PHE 28 HB2 PHE 28 -2.672 -0.956 -11.745 218 HB3 PHE 28 HB3 PHE 28 -1.697 -0.591 -13.177 219 HD1 PHE 28 HD1 PHE 28 -3.582 0.991 -10.356 220 HD2 PHE 28 HD2 PHE 28 -0.726 1.535 -13.538 221 HE1 PHE 28 HE1 PHE 28 -3.021 3.247 -9.471 222 HE2 PHE 28 HE2 PHE 28 -0.166 3.790 -12.658 223 HZ PHE 28 HZ PHE 28 -1.309 4.643 -10.605 224 H GLU 29 H GLU 29 -2.782 0.052 -15.777 225 HA GLU 29 HA GLU 29 -3.284 2.960 -15.963 226 HB2 GLU 29 HB2 GLU 29 -1.761 2.957 -17.804 227 HB3 GLU 29 HB3 GLU 29 -1.052 2.101 -16.433 228 HG2 GLU 29 HG2 GLU 29 -1.618 -0.076 -17.527 229 HG3 GLU 29 HG3 GLU 29 -2.343 0.796 -18.879 230 H ARG 30 H ARG 30 -4.099 3.901 -17.973 231 HA ARG 30 HA ARG 30 -6.744 3.147 -18.399 232 HB2 ARG 30 HB2 ARG 30 -5.997 5.401 -18.685 233 HB3 ARG 30 HB3 ARG 30 -4.857 4.940 -19.948 234 HG2 ARG 30 HG2 ARG 30 -6.712 6.080 -20.956 235 HG3 ARG 30 HG3 ARG 30 -6.709 4.394 -21.472 236 HD2 ARG 30 HD2 ARG 30 -8.418 4.255 -19.319 237 HD3 ARG 30 HD3 ARG 30 -8.664 5.927 -19.807 238 HE ARG 30 HE ARG 30 -8.829 3.641 -21.762 239 HH11 ARG 30 HH11 ARG 30 -10.415 3.646 -23.232 240 HH12 ARG 30 HH12 ARG 30 -11.784 4.736 -23.044 241 HH21 ARG 30 HH21 ARG 30 -10.549 6.384 -20.343 242 HH22 ARG 30 HH22 ARG 30 -11.853 6.193 -21.501 243 HA PRO 31 HA PRO 31 -6.191 -0.031 -21.600 244 HB2 PRO 31 HB2 PRO 31 -8.728 -1.006 -21.728 245 HB3 PRO 31 HB3 PRO 31 -7.638 -1.348 -20.348 246 HG2 PRO 31 HG2 PRO 31 -9.767 0.803 -20.538 247 HG3 PRO 31 HG3 PRO 31 -9.521 -0.390 -19.221 248 HD2 PRO 31 HD2 PRO 31 -8.546 2.149 -19.081 249 HD3 PRO 31 HD3 PRO 31 -7.628 0.759 -18.419 250 H SER 32 H SER 32 -6.408 -0.030 -23.786 251 HA SER 32 HA SER 32 -7.999 2.183 -25.045 252 HB2 SER 32 HB2 SER 32 -5.281 1.110 -25.865 253 HB3 SER 32 HB3 SER 32 -6.195 2.407 -26.672 254 HG SER 32 HG SER 32 -5.159 2.421 -24.024 255 H GLY 33 H GLY 33 -8.161 -1.062 -24.829 256 HA2 GLY 33 HA2 GLY 33 -9.301 -2.678 -26.033 257 HA3 GLY 33 HA3 GLY 33 -9.824 -1.425 -27.158 258 H1 4N2 101 H1 4N2 34 -3.577 -0.733 -4.129 259 H2 4N2 101 H2 4N2 34 -4.217 -3.107 -4.041 260 H3 4N2 101 H3 4N2 34 -2.413 -4.091 -5.524 261 H4 4N2 101 H4 4N2 34 -0.507 -2.560 -6.169 262 H5 4N2 101 H5 4N2 34 -1.398 -0.430 -5.390 263 H62 4N2 101 H62 4N2 34 1.056 -1.053 -3.682 264 H61 4N2 101 H61 4N2 34 1.110 -0.711 -5.412 265 HO2 4N2 101 H2O 4N2 34 -3.281 -3.982 -2.234 266 HO3 4N2 101 H3O 4N2 34 -3.950 -2.740 -6.500 267 HO4 4N2 101 H4O 4N2 34 -0.714 -3.646 -3.538 268 HO6 4N2 101 H6O 4N2 34 0.150 1.369 -4.952 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 -17.666 4.267 -22.427 2 H2 LYS 1 H2 LYS 1 -17.071 5.022 -23.753 3 H3 LYS 1 H3 LYS 1 -18.008 5.840 -22.698 4 HA LYS 1 HA LYS 1 -15.733 6.492 -22.435 5 HB2 LYS 1 HB2 LYS 1 -17.230 6.531 -20.464 6 HB3 LYS 1 HB3 LYS 1 -16.719 4.898 -20.034 7 HG2 LYS 1 HG2 LYS 1 -14.352 5.743 -19.820 8 HG3 LYS 1 HG3 LYS 1 -14.932 7.370 -20.220 9 HD2 LYS 1 HD2 LYS 1 -16.381 7.338 -18.187 10 HD3 LYS 1 HD3 LYS 1 -15.849 5.688 -17.841 11 HE2 LYS 1 HE2 LYS 1 -14.580 7.095 -16.415 12 HE3 LYS 1 HE3 LYS 1 -13.481 6.518 -17.673 13 HZ1 LYS 1 HZ1 LYS 1 -14.799 9.188 -17.628 14 HZ2 LYS 1 HZ2 LYS 1 -13.233 8.910 -17.270 15 HZ3 LYS 1 HZ3 LYS 1 -13.770 8.680 -18.792 16 H LEU 2 H LEU 2 -15.785 3.167 -21.012 17 HA LEU 2 HA LEU 2 -12.997 2.754 -21.835 18 HB2 LEU 2 HB2 LEU 2 -14.996 0.987 -20.363 19 HB3 LEU 2 HB3 LEU 2 -13.358 0.545 -20.720 20 HG LEU 2 HG LEU 2 -13.125 1.073 -18.572 21 HD11 LEU 2 HD11 LEU 2 -11.917 3.136 -18.297 22 HD12 LEU 2 HD12 LEU 2 -11.524 2.448 -19.882 23 HD13 LEU 2 HD13 LEU 2 -12.647 3.828 -19.751 24 HD21 LEU 2 HD21 LEU 2 -14.951 3.474 -18.809 25 HD22 LEU 2 HD22 LEU 2 -15.401 1.862 -18.200 26 HD23 LEU 2 HD23 LEU 2 -14.197 2.829 -17.335 27 HA PRO 3 HA PRO 3 -13.856 0.184 -25.431 28 HB2 PRO 3 HB2 PRO 3 -11.872 -1.730 -25.280 29 HB3 PRO 3 HB3 PRO 3 -11.587 -0.029 -25.765 30 HG2 PRO 3 HG2 PRO 3 -11.235 -1.268 -23.020 31 HG3 PRO 3 HG3 PRO 3 -10.077 -0.252 -23.923 32 HD2 PRO 3 HD2 PRO 3 -11.688 0.782 -22.024 33 HD3 PRO 3 HD3 PRO 3 -11.352 1.699 -23.517 34 HA PRO 4 HA PRO 4 -16.620 -2.920 -24.487 35 HB2 PRO 4 HB2 PRO 4 -15.059 -4.982 -26.068 36 HB3 PRO 4 HB3 PRO 4 -16.827 -4.663 -26.067 37 HG2 PRO 4 HG2 PRO 4 -15.309 -3.593 -28.017 38 HG3 PRO 4 HG3 PRO 4 -16.514 -2.555 -27.177 39 HD2 PRO 4 HD2 PRO 4 -13.527 -2.731 -26.707 40 HD3 PRO 4 HD3 PRO 4 -14.570 -1.281 -26.840 41 H GLY 5 H GLY 5 -17.114 -3.948 -22.715 42 HA2 GLY 5 HA2 GLY 5 -17.137 -5.485 -20.996 43 HA3 GLY 5 HA3 GLY 5 -15.632 -6.195 -21.603 44 H TRP 6 H TRP 6 -14.660 -3.085 -21.298 45 HA TRP 6 HA TRP 6 -13.466 -3.601 -18.656 46 HB2 TRP 6 HB2 TRP 6 -12.989 -1.547 -20.797 47 HB3 TRP 6 HB3 TRP 6 -12.211 -1.466 -19.216 48 HD1 TRP 6 HD1 TRP 6 -12.239 -3.357 -22.506 49 HE1 TRP 6 HE1 TRP 6 -10.132 -4.803 -22.738 50 HE3 TRP 6 HE3 TRP 6 -10.402 -2.888 -17.743 51 HZ2 TRP 6 HZ2 TRP 6 -7.969 -5.698 -21.064 52 HZ3 TRP 6 HZ3 TRP 6 -8.295 -4.064 -17.099 53 HH2 TRP 6 HH2 TRP 6 -7.091 -5.473 -18.736 54 H GLU 7 H GLU 7 -13.627 -2.404 -16.846 55 HA GLU 7 HA GLU 7 -15.279 0.035 -16.700 56 HB2 GLU 7 HB2 GLU 7 -16.825 -1.897 -16.397 57 HB3 GLU 7 HB3 GLU 7 -15.819 -2.494 -15.083 58 HG2 GLU 7 HG2 GLU 7 -17.853 -1.405 -14.275 59 HG3 GLU 7 HG3 GLU 7 -16.417 -0.585 -13.694 60 H LYS 8 H LYS 8 -14.925 1.242 -14.711 61 HA LYS 8 HA LYS 8 -12.211 1.001 -13.634 62 HB2 LYS 8 HB2 LYS 8 -14.498 2.943 -13.191 63 HB3 LYS 8 HB3 LYS 8 -13.079 2.928 -12.131 64 HG2 LYS 8 HG2 LYS 8 -11.576 3.233 -14.038 65 HG3 LYS 8 HG3 LYS 8 -12.954 3.195 -15.156 66 HD2 LYS 8 HD2 LYS 8 -12.313 5.487 -14.856 67 HD3 LYS 8 HD3 LYS 8 -13.852 5.260 -14.005 68 HE2 LYS 8 HE2 LYS 8 -12.606 5.021 -11.854 69 HE3 LYS 8 HE3 LYS 8 -11.076 5.217 -12.723 70 HZ1 LYS 8 HZ1 LYS 8 -11.792 7.459 -13.342 71 HZ2 LYS 8 HZ2 LYS 8 -13.214 7.275 -12.553 72 HZ3 LYS 8 HZ3 LYS 8 -11.813 7.302 -11.718 73 H ARG 9 H ARG 9 -11.583 0.585 -11.704 74 HA ARG 9 HA ARG 9 -13.288 -0.687 -9.600 75 HB2 ARG 9 HB2 ARG 9 -11.438 -2.019 -11.498 76 HB3 ARG 9 HB3 ARG 9 -10.911 -2.214 -9.850 77 HG2 ARG 9 HG2 ARG 9 -12.268 -4.086 -10.571 78 HG3 ARG 9 HG3 ARG 9 -13.022 -3.245 -9.199 79 HD2 ARG 9 HD2 ARG 9 -14.652 -2.209 -10.606 80 HD3 ARG 9 HD3 ARG 9 -13.798 -2.699 -12.093 81 HE ARG 9 HE ARG 9 -14.416 -5.082 -10.775 82 HH11 ARG 9 HH11 ARG 9 -16.306 -2.419 -12.034 83 HH12 ARG 9 HH12 ARG 9 -17.686 -3.438 -12.376 84 HH21 ARG 9 HH21 ARG 9 -16.204 -6.320 -11.226 85 HH22 ARG 9 HH22 ARG 9 -17.622 -5.585 -11.924 86 H MET 10 H MET 10 -11.952 -1.149 -7.598 87 HA MET 10 HA MET 10 -9.558 0.496 -7.237 88 HB2 MET 10 HB2 MET 10 -11.563 2.070 -7.004 89 HB3 MET 10 HB3 MET 10 -12.021 1.129 -5.571 90 HG2 MET 10 HG2 MET 10 -9.722 1.694 -4.618 91 HG3 MET 10 HG3 MET 10 -9.466 2.712 -6.030 92 HE1 MET 10 HE1 MET 10 -12.331 3.552 -2.498 93 HE2 MET 10 HE2 MET 10 -12.600 2.159 -3.564 94 HE3 MET 10 HE3 MET 10 -11.121 2.253 -2.579 95 H PHE 11 H PHE 11 -8.278 -0.181 -5.611 96 HA PHE 11 HA PHE 11 -8.897 -2.605 -4.081 97 HB2 PHE 11 HB2 PHE 11 -6.530 -0.694 -4.114 98 HB3 PHE 11 HB3 PHE 11 -6.616 -2.118 -3.094 99 HD1 PHE 11 HD1 PHE 11 -5.912 -0.899 -6.465 100 HD2 PHE 11 HD2 PHE 11 -6.682 -4.416 -4.091 101 HE1 PHE 11 HE1 PHE 11 -4.949 -2.318 -8.256 102 HE2 PHE 11 HE2 PHE 11 -5.699 -5.832 -5.879 103 HZ PHE 11 HZ PHE 11 -4.836 -4.786 -7.966 104 H ALA 12 H ALA 12 -8.870 -2.738 -1.760 105 HA ALA 12 HA ALA 12 -10.465 -0.833 -0.404 106 HB1 ALA 12 HB1 ALA 12 -10.317 -3.233 0.155 107 HB2 ALA 12 HB2 ALA 12 -8.638 -3.011 0.707 108 HB3 ALA 12 HB3 ALA 12 -9.976 -2.225 1.573 109 H ASN 13 H ASN 13 -7.042 -0.754 -0.916 110 HA ASN 13 HA ASN 13 -6.451 1.115 1.263 111 HB2 ASN 13 HB2 ASN 13 -4.185 1.073 0.383 112 HB3 ASN 13 HB3 ASN 13 -4.823 -0.567 0.555 113 HD21 ASN 13 HD21 ASN 13 -3.291 -1.400 -0.922 114 H GLY 14 H GLY 14 -8.072 1.583 -1.632 115 HA2 GLY 14 HA2 GLY 14 -8.891 3.639 -2.382 116 HA3 GLY 14 HA3 GLY 14 -7.572 4.503 -1.578 117 H THR 15 H THR 15 -6.492 1.845 -3.540 118 HA THR 15 HA THR 15 -5.453 3.736 -5.589 119 HB THR 15 HB THR 15 -4.835 0.790 -5.189 120 HG1 THR 15 HG1 THR 15 -4.105 1.847 -3.481 121 HG21 THR 15 HG21 THR 15 -2.799 1.306 -6.514 122 HG22 THR 15 HG22 THR 15 -4.272 1.502 -7.468 123 HG23 THR 15 HG23 THR 15 -3.429 2.938 -6.836 124 H VAL 16 H VAL 16 -6.215 3.864 -7.635 125 HA VAL 16 HA VAL 16 -8.598 2.262 -8.340 126 HB VAL 16 HB VAL 16 -7.426 4.845 -9.401 127 HG11 VAL 16 HG11 VAL 16 -9.486 5.099 -10.740 128 HG12 VAL 16 HG12 VAL 16 -8.496 3.759 -11.312 129 HG13 VAL 16 HG13 VAL 16 -9.953 3.432 -10.341 130 HG21 VAL 16 HG21 VAL 16 -10.023 4.228 -7.921 131 HG22 VAL 16 HG22 VAL 16 -8.584 4.985 -7.203 132 HG23 VAL 16 HG23 VAL 16 -9.483 5.829 -8.466 133 H TYR 17 H TYR 17 -8.860 1.082 -10.167 134 HA TYR 17 HA TYR 17 -6.739 0.818 -12.170 135 HB2 TYR 17 HB2 TYR 17 -6.356 -1.510 -11.899 136 HB3 TYR 17 HB3 TYR 17 -6.043 -0.744 -10.371 137 HD1 TYR 17 HD1 TYR 17 -7.640 -1.069 -8.443 138 HD2 TYR 17 HD2 TYR 17 -8.018 -3.236 -12.151 139 HE1 TYR 17 HE1 TYR 17 -8.918 -2.869 -7.275 140 HE2 TYR 17 HE2 TYR 17 -9.362 -4.982 -11.006 141 HH TYR 17 HH TYR 17 -10.117 -5.760 -8.989 142 H TYR 18 H TYR 18 -7.512 -1.107 -13.735 143 HA TYR 18 HA TYR 18 -10.421 -0.729 -14.316 144 HB2 TYR 18 HB2 TYR 18 -8.132 -0.936 -16.302 145 HB3 TYR 18 HB3 TYR 18 -9.852 -0.768 -16.684 146 HD1 TYR 18 HD1 TYR 18 -10.981 1.383 -16.538 147 HD2 TYR 18 HD2 TYR 18 -6.867 0.966 -15.313 148 HE1 TYR 18 HE1 TYR 18 -10.747 3.868 -16.433 149 HE2 TYR 18 HE2 TYR 18 -6.653 3.439 -15.164 150 HH TYR 18 HH TYR 18 -7.723 5.447 -15.393 151 H PHE 19 H PHE 19 -11.573 -2.503 -14.882 152 HA PHE 19 HA PHE 19 -10.218 -5.165 -15.021 153 HB2 PHE 19 HB2 PHE 19 -10.857 -4.984 -12.765 154 HB3 PHE 19 HB3 PHE 19 -12.394 -4.221 -13.154 155 HD1 PHE 19 HD1 PHE 19 -10.579 -7.436 -12.962 156 HD2 PHE 19 HD2 PHE 19 -14.357 -5.542 -13.847 157 HE1 PHE 19 HE1 PHE 19 -11.720 -9.632 -12.807 158 HE2 PHE 19 HE2 PHE 19 -15.495 -7.729 -13.639 159 HZ PHE 19 HZ PHE 19 -14.182 -9.784 -13.142 160 H ASN 20 H ASN 20 -11.106 -6.631 -16.361 161 HA ASN 20 HA ASN 20 -13.306 -5.712 -18.136 162 HB2 ASN 20 HB2 ASN 20 -11.095 -6.196 -19.152 163 HB3 ASN 20 HB3 ASN 20 -11.213 -7.863 -18.575 164 HD21 ASN 20 HD21 ASN 20 -13.196 -6.768 -21.935 165 HD22 ASN 20 HD22 ASN 20 -12.187 -5.625 -21.054 166 H HIS 21 H HIS 21 -15.278 -6.496 -17.666 167 HA HIS 21 HA HIS 21 -15.568 -8.657 -15.758 168 HB2 HIS 21 HB2 HIS 21 -17.738 -7.999 -15.543 169 HB3 HIS 21 HB3 HIS 21 -16.992 -6.495 -16.079 170 HD2 HIS 21 HD2 HIS 21 -17.816 -5.502 -18.443 171 HE1 HIS 21 HE1 HIS 21 -20.723 -8.481 -19.360 172 HE2 HIS 21 HE2 HIS 21 -19.808 -6.199 -20.017 173 H ILE 22 H ILE 22 -15.468 -8.664 -19.182 174 HA ILE 22 HA ILE 22 -17.035 -11.111 -19.562 175 HB ILE 22 HB ILE 22 -15.313 -9.472 -21.463 176 HG12 ILE 22 HG12 ILE 22 -18.342 -9.556 -21.065 177 HG13 ILE 22 HG13 ILE 22 -17.266 -8.251 -20.536 178 HG21 ILE 22 HG21 ILE 22 -17.286 -11.713 -22.089 179 HG22 ILE 22 HG22 ILE 22 -16.451 -10.698 -23.286 180 HG23 ILE 22 HG23 ILE 22 -15.519 -11.792 -22.283 181 HD11 ILE 22 HD11 ILE 22 -17.951 -8.968 -23.392 182 HD12 ILE 22 HD12 ILE 22 -18.301 -7.481 -22.494 183 HD13 ILE 22 HD13 ILE 22 -16.626 -7.866 -22.939 184 H THR 23 H THR 23 -13.613 -10.229 -19.442 185 HA THR 23 HA THR 23 -12.787 -13.086 -19.789 186 HB THR 23 HB THR 23 -10.615 -12.216 -20.449 187 HG1 THR 23 HG1 THR 23 -11.785 -9.656 -20.264 188 HG21 THR 23 HG21 THR 23 -12.803 -10.720 -21.964 189 HG22 THR 23 HG22 THR 23 -11.182 -11.145 -22.549 190 HG23 THR 23 HG23 THR 23 -12.362 -12.424 -22.211 191 H ASN 24 H ASN 24 -13.093 -10.833 -17.294 192 HA ASN 24 HA ASN 24 -12.352 -10.568 -15.236 193 HB2 ASN 24 HB2 ASN 24 -11.358 -13.428 -15.307 194 HB3 ASN 24 HB3 ASN 24 -11.675 -12.446 -13.869 195 HD21 ASN 24 HD21 ASN 24 -13.031 -14.765 -15.903 196 HD22 ASN 24 HD22 ASN 24 -14.714 -14.507 -15.432 197 H ALA 25 H ALA 25 -10.441 -10.091 -17.576 198 HA ALA 25 HA ALA 25 -7.792 -10.114 -16.364 199 HB1 ALA 25 HB1 ALA 25 -8.149 -10.219 -18.811 200 HB2 ALA 25 HB2 ALA 25 -8.880 -8.597 -18.775 201 HB3 ALA 25 HB3 ALA 25 -7.169 -8.813 -18.351 202 H SER 26 H SER 26 -6.551 -8.140 -15.863 203 HA SER 26 HA SER 26 -8.016 -5.666 -15.367 204 HB2 SER 26 HB2 SER 26 -7.373 -5.448 -13.011 205 HB3 SER 26 HB3 SER 26 -8.485 -6.794 -13.267 206 HG SER 26 HG SER 26 -6.757 -8.218 -13.117 207 H GLN 27 H GLN 27 -6.743 -3.837 -15.055 208 HA GLN 27 HA GLN 27 -3.828 -4.042 -15.001 209 HB2 GLN 27 HB2 GLN 27 -3.373 -2.930 -17.050 210 HB3 GLN 27 HB3 GLN 27 -4.415 -4.308 -17.420 211 HG2 GLN 27 HG2 GLN 27 -6.357 -2.799 -17.657 212 HG3 GLN 27 HG3 GLN 27 -5.362 -1.425 -17.199 213 HE21 GLN 27 HE21 GLN 27 -4.999 -0.208 -18.996 214 HE22 GLN 27 HE22 GLN 27 -4.499 -0.870 -20.567 215 H PHE 28 H PHE 28 -2.773 -1.998 -14.526 216 HA PHE 28 HA PHE 28 -4.390 -0.356 -12.767 217 HB2 PHE 28 HB2 PHE 28 -2.226 -1.046 -12.073 218 HB3 PHE 28 HB3 PHE 28 -1.474 -0.466 -13.566 219 HD1 PHE 28 HD1 PHE 28 -0.769 1.772 -13.838 220 HD2 PHE 28 HD2 PHE 28 -3.096 0.654 -10.392 221 HE1 PHE 28 HE1 PHE 28 -0.281 3.983 -12.798 222 HE2 PHE 28 HE2 PHE 28 -2.605 2.858 -9.342 223 HZ PHE 28 HZ PHE 28 -1.197 4.522 -10.539 224 H GLU 29 H GLU 29 -2.888 0.202 -15.951 225 HA GLU 29 HA GLU 29 -3.610 3.069 -15.878 226 HB2 GLU 29 HB2 GLU 29 -2.217 3.322 -17.794 227 HB3 GLU 29 HB3 GLU 29 -1.355 2.398 -16.561 228 HG2 GLU 29 HG2 GLU 29 -1.981 0.282 -17.816 229 HG3 GLU 29 HG3 GLU 29 -2.660 1.296 -19.093 230 H ARG 30 H ARG 30 -4.654 4.123 -17.684 231 HA ARG 30 HA ARG 30 -7.223 3.135 -18.188 232 HB2 ARG 30 HB2 ARG 30 -6.775 5.476 -18.179 233 HB3 ARG 30 HB3 ARG 30 -5.556 5.327 -19.441 234 HG2 ARG 30 HG2 ARG 30 -7.514 6.371 -20.357 235 HG3 ARG 30 HG3 ARG 30 -7.262 4.794 -21.103 236 HD2 ARG 30 HD2 ARG 30 -9.022 4.147 -19.078 237 HD3 ARG 30 HD3 ARG 30 -9.497 5.804 -19.408 238 HE ARG 30 HE ARG 30 -9.292 3.627 -21.488 239 HH11 ARG 30 HH11 ARG 30 -12.167 6.334 -21.794 240 HH12 ARG 30 HH12 ARG 30 -11.107 6.447 -20.405 241 HH21 ARG 30 HH21 ARG 30 -10.575 3.641 -23.168 242 HH22 ARG 30 HH22 ARG 30 -11.980 4.704 -23.215 243 HA PRO 31 HA PRO 31 -6.283 0.403 -21.690 244 HB2 PRO 31 HB2 PRO 31 -8.704 -0.812 -21.980 245 HB3 PRO 31 HB3 PRO 31 -7.591 -1.183 -20.628 246 HG2 PRO 31 HG2 PRO 31 -9.957 0.714 -20.614 247 HG3 PRO 31 HG3 PRO 31 -9.561 -0.567 -19.427 248 HD2 PRO 31 HD2 PRO 31 -8.902 2.047 -19.031 249 HD3 PRO 31 HD3 PRO 31 -7.831 0.720 -18.482 250 H SER 32 H SER 32 -6.290 0.829 -23.820 251 HA SER 32 HA SER 32 -6.476 2.053 -25.710 252 HB2 SER 32 HB2 SER 32 -9.443 1.615 -25.285 253 HB3 SER 32 HB3 SER 32 -8.634 2.007 -26.823 254 HG SER 32 HG SER 32 -8.936 -0.219 -26.662 255 H GLY 33 H GLY 33 -6.105 3.752 -23.529 256 HA2 GLY 33 HA2 GLY 33 -7.768 6.104 -23.537 257 HA3 GLY 33 HA3 GLY 33 -6.116 5.989 -22.927 258 H1 4N2 101 H1 4N2 34 -3.619 -0.594 -3.760 259 H2 4N2 101 H2 4N2 34 -3.997 -3.002 -3.603 260 H3 4N2 101 H3 4N2 34 -1.955 -3.882 -4.840 261 H4 4N2 101 H4 4N2 34 -0.149 -2.206 -5.391 262 H5 4N2 101 H5 4N2 34 -1.395 -0.147 -4.873 263 H62 4N2 101 H62 4N2 34 0.974 0.200 -4.814 264 H61 4N2 101 H61 4N2 34 0.231 1.142 -3.524 265 HO2 4N2 101 H2O 4N2 34 -1.495 -3.399 -2.297 266 HO3 4N2 101 H3O 4N2 34 -3.528 -2.747 -6.045 267 HO4 4N2 101 H4O 4N2 34 0.739 -2.266 -3.104 268 HO6 4N2 101 H6O 4N2 34 2.092 0.079 -2.745 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 -16.942 4.290 -24.136 2 H2 LYS 1 H2 LYS 1 -17.802 5.321 -23.209 3 H3 LYS 1 H3 LYS 1 -17.336 3.878 -22.600 4 HA LYS 1 HA LYS 1 -15.566 6.092 -23.396 5 HB2 LYS 1 HB2 LYS 1 -16.956 6.349 -21.258 6 HB3 LYS 1 HB3 LYS 1 -15.933 5.123 -20.535 7 HG2 LYS 1 HG2 LYS 1 -14.986 7.765 -21.748 8 HG3 LYS 1 HG3 LYS 1 -15.312 7.487 -20.038 9 HD2 LYS 1 HD2 LYS 1 -13.518 5.706 -20.044 10 HD3 LYS 1 HD3 LYS 1 -13.062 6.238 -21.671 11 HE2 LYS 1 HE2 LYS 1 -13.099 7.972 -19.163 12 HE3 LYS 1 HE3 LYS 1 -11.664 7.219 -19.862 13 HZ1 LYS 1 HZ1 LYS 1 -13.339 9.272 -21.204 14 HZ2 LYS 1 HZ2 LYS 1 -11.856 9.513 -20.576 15 HZ3 LYS 1 HZ3 LYS 1 -12.036 8.549 -21.881 16 H LEU 2 H LEU 2 -15.264 3.156 -21.280 17 HA LEU 2 HA LEU 2 -12.587 2.604 -22.292 18 HB2 LEU 2 HB2 LEU 2 -14.514 1.019 -20.529 19 HB3 LEU 2 HB3 LEU 2 -12.924 0.478 -20.954 20 HG LEU 2 HG LEU 2 -12.499 1.219 -18.903 21 HD11 LEU 2 HD11 LEU 2 -12.045 3.828 -20.396 22 HD12 LEU 2 HD12 LEU 2 -11.226 3.266 -18.931 23 HD13 LEU 2 HD13 LEU 2 -10.976 2.409 -20.459 24 HD21 LEU 2 HD21 LEU 2 -14.318 3.618 -19.238 25 HD22 LEU 2 HD22 LEU 2 -14.708 2.092 -18.406 26 HD23 LEU 2 HD23 LEU 2 -13.429 3.141 -17.776 27 HA PRO 3 HA PRO 3 -13.585 -0.231 -25.627 28 HB2 PRO 3 HB2 PRO 3 -11.673 -2.213 -25.335 29 HB3 PRO 3 HB3 PRO 3 -11.346 -0.578 -25.991 30 HG2 PRO 3 HG2 PRO 3 -10.946 -1.564 -23.154 31 HG3 PRO 3 HG3 PRO 3 -9.803 -0.648 -24.176 32 HD2 PRO 3 HD2 PRO 3 -11.338 0.566 -22.329 33 HD3 PRO 3 HD3 PRO 3 -10.999 1.352 -23.886 34 HA PRO 4 HA PRO 4 -16.479 -3.113 -24.472 35 HB2 PRO 4 HB2 PRO 4 -15.048 -5.355 -25.922 36 HB3 PRO 4 HB3 PRO 4 -16.794 -4.933 -25.940 37 HG2 PRO 4 HG2 PRO 4 -15.219 -4.082 -27.953 38 HG3 PRO 4 HG3 PRO 4 -16.361 -2.924 -27.188 39 HD2 PRO 4 HD2 PRO 4 -13.389 -3.241 -26.699 40 HD3 PRO 4 HD3 PRO 4 -14.348 -1.745 -26.929 41 H GLY 5 H GLY 5 -17.044 -4.025 -22.659 42 HA2 GLY 5 HA2 GLY 5 -17.162 -5.467 -20.860 43 HA3 GLY 5 HA3 GLY 5 -15.684 -6.278 -21.407 44 H TRP 6 H TRP 6 -14.498 -3.268 -21.295 45 HA TRP 6 HA TRP 6 -13.383 -3.636 -18.607 46 HB2 TRP 6 HB2 TRP 6 -12.840 -1.676 -20.828 47 HB3 TRP 6 HB3 TRP 6 -12.047 -1.605 -19.254 48 HD1 TRP 6 HD1 TRP 6 -12.139 -3.545 -22.514 49 HE1 TRP 6 HE1 TRP 6 -10.062 -5.040 -22.721 50 HE3 TRP 6 HE3 TRP 6 -10.276 -3.011 -17.769 51 HZ2 TRP 6 HZ2 TRP 6 -7.923 -5.957 -21.029 52 HZ3 TRP 6 HZ3 TRP 6 -8.168 -4.177 -17.122 53 HH2 TRP 6 HH2 TRP 6 -7.014 -5.670 -18.719 54 H GLU 7 H GLU 7 -13.651 -2.429 -16.836 55 HA GLU 7 HA GLU 7 -15.072 0.158 -16.871 56 HB2 GLU 7 HB2 GLU 7 -16.811 -1.616 -16.632 57 HB3 GLU 7 HB3 GLU 7 -15.995 -2.212 -15.181 58 HG2 GLU 7 HG2 GLU 7 -16.513 -0.179 -13.978 59 HG3 GLU 7 HG3 GLU 7 -16.990 0.649 -15.463 60 H LYS 8 H LYS 8 -14.760 1.362 -14.823 61 HA LYS 8 HA LYS 8 -12.152 0.939 -13.620 62 HB2 LYS 8 HB2 LYS 8 -14.381 2.936 -13.118 63 HB3 LYS 8 HB3 LYS 8 -12.944 2.840 -12.081 64 HG2 LYS 8 HG2 LYS 8 -11.460 3.169 -13.985 65 HG3 LYS 8 HG3 LYS 8 -12.845 3.163 -15.095 66 HD2 LYS 8 HD2 LYS 8 -12.212 5.438 -14.817 67 HD3 LYS 8 HD3 LYS 8 -13.701 5.231 -13.878 68 HE2 LYS 8 HE2 LYS 8 -12.317 4.963 -11.806 69 HE3 LYS 8 HE3 LYS 8 -10.850 5.161 -12.779 70 HZ1 LYS 8 HZ1 LYS 8 -11.508 7.248 -11.722 71 HZ2 LYS 8 HZ2 LYS 8 -11.608 7.403 -13.344 72 HZ3 LYS 8 HZ3 LYS 8 -12.966 7.221 -12.453 73 H ARG 9 H ARG 9 -11.616 0.403 -11.680 74 HA ARG 9 HA ARG 9 -13.502 -0.644 -9.644 75 HB2 ARG 9 HB2 ARG 9 -12.890 -2.453 -11.371 76 HB3 ARG 9 HB3 ARG 9 -11.256 -2.410 -10.713 77 HG2 ARG 9 HG2 ARG 9 -12.061 -3.183 -8.551 78 HG3 ARG 9 HG3 ARG 9 -13.757 -2.910 -9.026 79 HD2 ARG 9 HD2 ARG 9 -13.607 -4.672 -10.719 80 HD3 ARG 9 HD3 ARG 9 -11.891 -4.937 -10.324 81 HE ARG 9 HE ARG 9 -13.420 -5.197 -7.935 82 HH11 ARG 9 HH11 ARG 9 -13.857 -7.163 -7.026 83 HH12 ARG 9 HH12 ARG 9 -13.811 -8.606 -8.003 84 HH21 ARG 9 HH21 ARG 9 -12.988 -7.008 -10.918 85 HH22 ARG 9 HH22 ARG 9 -13.331 -8.522 -10.133 86 H MET 10 H MET 10 -12.231 -1.279 -7.576 87 HA MET 10 HA MET 10 -9.788 0.346 -7.180 88 HB2 MET 10 HB2 MET 10 -11.671 1.947 -7.183 89 HB3 MET 10 HB3 MET 10 -12.477 1.013 -5.908 90 HG2 MET 10 HG2 MET 10 -10.662 1.544 -4.349 91 HG3 MET 10 HG3 MET 10 -9.777 2.385 -5.632 92 HE1 MET 10 HE1 MET 10 -10.367 3.652 -2.801 93 HE2 MET 10 HE2 MET 10 -9.508 4.515 -4.104 94 HE3 MET 10 HE3 MET 10 -10.856 5.301 -3.252 95 H PHE 11 H PHE 11 -8.595 -0.190 -5.469 96 HA PHE 11 HA PHE 11 -9.338 -2.492 -3.765 97 HB2 PHE 11 HB2 PHE 11 -6.789 -0.877 -4.109 98 HB3 PHE 11 HB3 PHE 11 -6.969 -2.174 -2.940 99 HD1 PHE 11 HD1 PHE 11 -6.335 -1.369 -6.443 100 HD2 PHE 11 HD2 PHE 11 -7.333 -4.538 -3.692 101 HE1 PHE 11 HE1 PHE 11 -5.635 -3.055 -8.125 102 HE2 PHE 11 HE2 PHE 11 -6.626 -6.220 -5.377 103 HZ PHE 11 HZ PHE 11 -5.782 -5.481 -7.600 104 H ALA 12 H ALA 12 -9.396 -2.427 -1.508 105 HA ALA 12 HA ALA 12 -10.498 -0.128 -0.256 106 HB1 ALA 12 HB1 ALA 12 -9.243 -2.630 0.960 107 HB2 ALA 12 HB2 ALA 12 -10.340 -1.502 1.786 108 HB3 ALA 12 HB3 ALA 12 -10.932 -2.462 0.419 109 H ASN 13 H ASN 13 -7.175 -0.848 -0.836 110 HA ASN 13 HA ASN 13 -6.072 0.826 1.283 111 HB2 ASN 13 HB2 ASN 13 -3.938 0.375 0.231 112 HB3 ASN 13 HB3 ASN 13 -4.874 -1.117 0.386 113 HD21 ASN 13 HD21 ASN 13 -3.440 -2.025 -1.190 114 H GLY 14 H GLY 14 -7.745 1.674 -1.509 115 HA2 GLY 14 HA2 GLY 14 -8.216 3.943 -2.026 116 HA3 GLY 14 HA3 GLY 14 -6.607 4.432 -1.479 117 H THR 15 H THR 15 -6.307 1.670 -3.478 118 HA THR 15 HA THR 15 -5.299 3.381 -5.680 119 HB THR 15 HB THR 15 -5.030 0.375 -5.385 120 HG1 THR 15 HG1 THR 15 -4.051 1.248 -3.683 121 HG21 THR 15 HG21 THR 15 -3.478 2.438 -7.013 122 HG22 THR 15 HG22 THR 15 -3.071 0.717 -6.875 123 HG23 THR 15 HG23 THR 15 -4.569 1.195 -7.670 124 H VAL 16 H VAL 16 -6.350 3.716 -7.536 125 HA VAL 16 HA VAL 16 -8.746 2.117 -8.255 126 HB VAL 16 HB VAL 16 -7.697 4.808 -9.174 127 HG11 VAL 16 HG11 VAL 16 -8.756 3.793 -11.122 128 HG12 VAL 16 HG12 VAL 16 -10.169 3.317 -10.145 129 HG13 VAL 16 HG13 VAL 16 -9.812 5.033 -10.448 130 HG21 VAL 16 HG21 VAL 16 -9.775 5.648 -8.148 131 HG22 VAL 16 HG22 VAL 16 -10.236 3.995 -7.692 132 HG23 VAL 16 HG23 VAL 16 -8.818 4.769 -6.950 133 H TYR 17 H TYR 17 -8.978 1.054 -10.165 134 HA TYR 17 HA TYR 17 -6.831 0.927 -12.166 135 HB2 TYR 17 HB2 TYR 17 -6.419 -1.411 -11.942 136 HB3 TYR 17 HB3 TYR 17 -6.136 -0.673 -10.393 137 HD1 TYR 17 HD1 TYR 17 -7.915 -0.938 -8.544 138 HD2 TYR 17 HD2 TYR 17 -7.920 -3.244 -12.192 139 HE1 TYR 17 HE1 TYR 17 -9.183 -2.749 -7.405 140 HE2 TYR 17 HE2 TYR 17 -9.240 -5.027 -11.061 141 HH TYR 17 HH TYR 17 -9.900 -4.911 -7.558 142 H TYR 18 H TYR 18 -7.562 -1.022 -13.761 143 HA TYR 18 HA TYR 18 -10.476 -0.710 -14.348 144 HB2 TYR 18 HB2 TYR 18 -8.173 -0.883 -16.316 145 HB3 TYR 18 HB3 TYR 18 -9.894 -0.801 -16.720 146 HD1 TYR 18 HD1 TYR 18 -11.109 1.300 -16.670 147 HD2 TYR 18 HD2 TYR 18 -7.019 1.097 -15.316 148 HE1 TYR 18 HE1 TYR 18 -10.994 3.791 -16.605 149 HE2 TYR 18 HE2 TYR 18 -6.919 3.579 -15.225 150 HH TYR 18 HH TYR 18 -8.058 5.531 -15.558 151 H PHE 19 H PHE 19 -11.595 -2.503 -14.851 152 HA PHE 19 HA PHE 19 -10.214 -5.146 -15.010 153 HB2 PHE 19 HB2 PHE 19 -10.798 -4.970 -12.735 154 HB3 PHE 19 HB3 PHE 19 -12.356 -4.226 -13.081 155 HD1 PHE 19 HD1 PHE 19 -10.461 -7.419 -13.092 156 HD2 PHE 19 HD2 PHE 19 -14.336 -5.580 -13.606 157 HE1 PHE 19 HE1 PHE 19 -11.543 -9.646 -12.947 158 HE2 PHE 19 HE2 PHE 19 -15.408 -7.796 -13.408 159 HZ PHE 19 HZ PHE 19 -14.024 -9.838 -13.104 160 H ASN 20 H ASN 20 -11.131 -6.622 -16.347 161 HA ASN 20 HA ASN 20 -13.416 -5.708 -18.002 162 HB2 ASN 20 HB2 ASN 20 -11.229 -6.315 -19.085 163 HB3 ASN 20 HB3 ASN 20 -11.517 -7.989 -18.582 164 HD21 ASN 20 HD21 ASN 20 -13.306 -6.602 -21.902 165 HD22 ASN 20 HD22 ASN 20 -11.931 -5.842 -21.112 166 H HIS 21 H HIS 21 -15.379 -6.456 -17.535 167 HA HIS 21 HA HIS 21 -15.692 -8.604 -15.596 168 HB2 HIS 21 HB2 HIS 21 -17.828 -7.878 -15.327 169 HB3 HIS 21 HB3 HIS 21 -17.046 -6.395 -15.864 170 HD2 HIS 21 HD2 HIS 21 -17.873 -5.339 -18.189 171 HE1 HIS 21 HE1 HIS 21 -20.903 -8.196 -19.100 172 HE2 HIS 21 HE2 HIS 21 -19.914 -5.939 -19.740 173 H ILE 22 H ILE 22 -15.515 -8.624 -18.998 174 HA ILE 22 HA ILE 22 -17.143 -11.069 -19.364 175 HB ILE 22 HB ILE 22 -15.575 -9.397 -21.369 176 HG12 ILE 22 HG12 ILE 22 -18.557 -9.382 -20.691 177 HG13 ILE 22 HG13 ILE 22 -17.395 -8.099 -20.303 178 HG21 ILE 22 HG21 ILE 22 -17.672 -11.564 -21.826 179 HG22 ILE 22 HG22 ILE 22 -16.888 -10.586 -23.087 180 HG23 ILE 22 HG23 ILE 22 -15.931 -11.716 -22.152 181 HD11 ILE 22 HD11 ILE 22 -16.995 -7.780 -22.766 182 HD12 ILE 22 HD12 ILE 22 -18.386 -8.856 -23.058 183 HD13 ILE 22 HD13 ILE 22 -18.606 -7.341 -22.166 184 H THR 23 H THR 23 -13.739 -10.022 -19.552 185 HA THR 23 HA THR 23 -12.855 -12.836 -20.011 186 HB THR 23 HB THR 23 -10.820 -11.886 -20.903 187 HG1 THR 23 HG1 THR 23 -10.855 -9.541 -21.150 188 HG21 THR 23 HG21 THR 23 -13.164 -10.314 -22.060 189 HG22 THR 23 HG22 THR 23 -11.652 -10.770 -22.873 190 HG23 THR 23 HG23 THR 23 -12.821 -12.021 -22.417 191 H ASN 24 H ASN 24 -13.068 -10.759 -17.403 192 HA ASN 24 HA ASN 24 -12.202 -10.611 -15.371 193 HB2 ASN 24 HB2 ASN 24 -11.082 -13.400 -15.768 194 HB3 ASN 24 HB3 ASN 24 -11.371 -12.579 -14.228 195 HD21 ASN 24 HD21 ASN 24 -13.600 -12.207 -13.554 196 HD22 ASN 24 HD22 ASN 24 -14.880 -13.202 -14.253 197 H ALA 25 H ALA 25 -10.409 -9.908 -17.787 198 HA ALA 25 HA ALA 25 -7.709 -9.917 -16.723 199 HB1 ALA 25 HB1 ALA 25 -7.257 -8.430 -18.630 200 HB2 ALA 25 HB2 ALA 25 -8.221 -9.827 -19.144 201 HB3 ALA 25 HB3 ALA 25 -8.997 -8.241 -18.923 202 H SER 26 H SER 26 -6.491 -7.977 -16.094 203 HA SER 26 HA SER 26 -7.978 -5.568 -15.394 204 HB2 SER 26 HB2 SER 26 -7.226 -5.450 -13.069 205 HB3 SER 26 HB3 SER 26 -8.327 -6.800 -13.338 206 HG SER 26 HG SER 26 -6.568 -8.199 -13.344 207 H GLN 27 H GLN 27 -6.719 -3.725 -15.079 208 HA GLN 27 HA GLN 27 -3.812 -3.856 -15.052 209 HB2 GLN 27 HB2 GLN 27 -3.401 -2.644 -17.085 210 HB3 GLN 27 HB3 GLN 27 -4.253 -4.144 -17.456 211 HG2 GLN 27 HG2 GLN 27 -6.285 -2.996 -17.957 212 HG3 GLN 27 HG3 GLN 27 -5.699 -1.485 -17.283 213 HE21 GLN 27 HE21 GLN 27 -4.093 -0.477 -20.267 214 HE22 GLN 27 HE22 GLN 27 -4.660 -0.080 -18.637 215 H PHE 28 H PHE 28 -2.805 -1.786 -14.574 216 HA PHE 28 HA PHE 28 -4.484 -0.231 -12.790 217 HB2 PHE 28 HB2 PHE 28 -2.338 -0.897 -12.046 218 HB3 PHE 28 HB3 PHE 28 -1.546 -0.285 -13.506 219 HD1 PHE 28 HD1 PHE 28 -3.323 0.783 -10.390 220 HD2 PHE 28 HD2 PHE 28 -0.835 1.956 -13.703 221 HE1 PHE 28 HE1 PHE 28 -2.919 2.987 -9.305 222 HE2 PHE 28 HE2 PHE 28 -0.431 4.165 -12.624 223 HZ PHE 28 HZ PHE 28 -1.470 4.674 -10.410 224 H GLU 29 H GLU 29 -2.679 0.574 -15.780 225 HA GLU 29 HA GLU 29 -3.795 3.307 -15.854 226 HB2 GLU 29 HB2 GLU 29 -2.421 3.646 -17.773 227 HB3 GLU 29 HB3 GLU 29 -1.462 2.870 -16.510 228 HG2 GLU 29 HG2 GLU 29 -1.854 0.652 -17.692 229 HG3 GLU 29 HG3 GLU 29 -2.628 1.548 -19.003 230 H ARG 30 H ARG 30 -4.761 4.012 -18.096 231 HA ARG 30 HA ARG 30 -7.264 2.644 -18.218 232 HB2 ARG 30 HB2 ARG 30 -6.721 5.155 -18.608 233 HB3 ARG 30 HB3 ARG 30 -6.338 4.679 -20.260 234 HG2 ARG 30 HG2 ARG 30 -8.830 3.485 -19.882 235 HG3 ARG 30 HG3 ARG 30 -8.952 4.913 -18.843 236 HD2 ARG 30 HD2 ARG 30 -9.798 5.584 -20.936 237 HD3 ARG 30 HD3 ARG 30 -8.156 6.255 -20.892 238 HE ARG 30 HE ARG 30 -8.372 3.569 -22.110 239 HH11 ARG 30 HH11 ARG 30 -8.488 6.996 -22.912 240 HH12 ARG 30 HH12 ARG 30 -8.216 6.667 -24.605 241 HH21 ARG 30 HH21 ARG 30 -8.068 3.252 -24.165 242 HH22 ARG 30 HH22 ARG 30 -7.975 4.579 -25.318 243 HA PRO 31 HA PRO 31 -6.184 -0.332 -21.438 244 HB2 PRO 31 HB2 PRO 31 -8.647 -1.434 -21.937 245 HB3 PRO 31 HB3 PRO 31 -7.698 -1.776 -20.453 246 HG2 PRO 31 HG2 PRO 31 -9.866 0.325 -20.820 247 HG3 PRO 31 HG3 PRO 31 -9.781 -0.937 -19.558 248 HD2 PRO 31 HD2 PRO 31 -8.912 1.523 -19.032 249 HD3 PRO 31 HD3 PRO 31 -7.906 0.135 -18.521 250 H SER 32 H SER 32 -6.376 -0.684 -23.655 251 HA SER 32 HA SER 32 -7.836 1.368 -25.276 252 HB2 SER 32 HB2 SER 32 -5.865 1.484 -26.722 253 HB3 SER 32 HB3 SER 32 -5.463 1.923 -25.046 254 HG SER 32 HG SER 32 -3.936 0.478 -25.973 255 H GLY 33 H GLY 33 -7.596 -1.945 -24.775 256 HA2 GLY 33 HA2 GLY 33 -8.614 -3.722 -25.859 257 HA3 GLY 33 HA3 GLY 33 -9.252 -2.598 -27.056 258 H1 4N2 101 H1 4N2 34 -4.166 -1.460 -3.989 259 H2 4N2 101 H2 4N2 34 -4.020 -3.855 -3.527 260 H3 4N2 101 H3 4N2 34 -1.975 -4.558 -4.875 261 H4 4N2 101 H4 4N2 34 -0.625 -2.694 -5.926 262 H5 4N2 101 H5 4N2 34 -2.187 -0.857 -5.536 263 H62 4N2 101 H62 4N2 34 0.246 -0.134 -3.861 264 H61 4N2 101 H61 4N2 34 0.346 -0.350 -5.610 265 HO2 4N2 101 H2O 4N2 34 -1.385 -3.519 -2.451 266 HO3 4N2 101 H3O 4N2 34 -3.910 -3.895 -5.967 267 HO4 4N2 101 H4O 4N2 34 0.482 -3.702 -4.305 268 HO6 4N2 101 H6O 4N2 34 -1.730 1.317 -4.654 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 -16.921 4.575 -24.229 2 H2 LYS 1 H2 LYS 1 -18.060 5.332 -23.340 3 H3 LYS 1 H3 LYS 1 -17.593 3.817 -22.941 4 HA LYS 1 HA LYS 1 -15.920 6.239 -22.849 5 HB2 LYS 1 HB2 LYS 1 -17.792 5.890 -21.074 6 HB3 LYS 1 HB3 LYS 1 -16.738 4.678 -20.377 7 HG2 LYS 1 HG2 LYS 1 -16.151 7.643 -20.796 8 HG3 LYS 1 HG3 LYS 1 -16.528 6.839 -19.272 9 HD2 LYS 1 HD2 LYS 1 -14.392 5.467 -19.603 10 HD3 LYS 1 HD3 LYS 1 -13.975 6.589 -20.906 11 HE2 LYS 1 HE2 LYS 1 -14.515 7.328 -17.998 12 HE3 LYS 1 HE3 LYS 1 -12.918 7.129 -18.721 13 HZ1 LYS 1 HZ1 LYS 1 -13.558 9.460 -18.671 14 HZ2 LYS 1 HZ2 LYS 1 -13.445 8.985 -20.227 15 HZ3 LYS 1 HZ3 LYS 1 -14.912 9.180 -19.531 16 H LEU 2 H LEU 2 -15.794 2.982 -21.276 17 HA LEU 2 HA LEU 2 -12.951 2.674 -22.025 18 HB2 LEU 2 HB2 LEU 2 -14.898 0.932 -20.454 19 HB3 LEU 2 HB3 LEU 2 -13.262 0.486 -20.806 20 HG LEU 2 HG LEU 2 -12.966 1.125 -18.710 21 HD11 LEU 2 HD11 LEU 2 -12.645 3.859 -19.993 22 HD12 LEU 2 HD12 LEU 2 -11.872 3.267 -18.517 23 HD13 LEU 2 HD13 LEU 2 -11.460 2.531 -20.075 24 HD21 LEU 2 HD21 LEU 2 -14.984 3.362 -18.989 25 HD22 LEU 2 HD22 LEU 2 -15.244 1.767 -18.257 26 HD23 LEU 2 HD23 LEU 2 -14.105 2.901 -17.511 27 HA PRO 3 HA PRO 3 -13.771 -0.093 -25.488 28 HB2 PRO 3 HB2 PRO 3 -11.784 -1.996 -25.245 29 HB3 PRO 3 HB3 PRO 3 -11.506 -0.320 -25.813 30 HG2 PRO 3 HG2 PRO 3 -11.144 -1.424 -23.013 31 HG3 PRO 3 HG3 PRO 3 -9.996 -0.444 -23.966 32 HD2 PRO 3 HD2 PRO 3 -11.613 0.660 -22.108 33 HD3 PRO 3 HD3 PRO 3 -11.275 1.516 -23.634 34 HA PRO 4 HA PRO 4 -16.548 -3.141 -24.464 35 HB2 PRO 4 HB2 PRO 4 -14.972 -5.281 -25.919 36 HB3 PRO 4 HB3 PRO 4 -16.739 -4.954 -25.965 37 HG2 PRO 4 HG2 PRO 4 -15.179 -3.979 -27.931 38 HG3 PRO 4 HG3 PRO 4 -16.391 -2.898 -27.161 39 HD2 PRO 4 HD2 PRO 4 -13.415 -3.071 -26.630 40 HD3 PRO 4 HD3 PRO 4 -14.446 -1.622 -26.844 41 H GLY 5 H GLY 5 -17.080 -4.044 -22.644 42 HA2 GLY 5 HA2 GLY 5 -17.171 -5.478 -20.840 43 HA3 GLY 5 HA3 GLY 5 -15.693 -6.281 -21.400 44 H TRP 6 H TRP 6 -14.555 -3.235 -21.275 45 HA TRP 6 HA TRP 6 -13.395 -3.634 -18.611 46 HB2 TRP 6 HB2 TRP 6 -12.902 -1.638 -20.809 47 HB3 TRP 6 HB3 TRP 6 -12.119 -1.542 -19.232 48 HD1 TRP 6 HD1 TRP 6 -12.153 -3.490 -22.487 49 HE1 TRP 6 HE1 TRP 6 -10.051 -4.951 -22.682 50 HE3 TRP 6 HE3 TRP 6 -10.336 -2.946 -17.723 51 HZ2 TRP 6 HZ2 TRP 6 -7.922 -5.856 -20.972 52 HZ3 TRP 6 HZ3 TRP 6 -8.239 -4.123 -17.050 53 HH2 TRP 6 HH2 TRP 6 -7.050 -5.588 -18.648 54 H GLU 7 H GLU 7 -13.607 -2.450 -16.842 55 HA GLU 7 HA GLU 7 -15.237 0.027 -16.731 56 HB2 GLU 7 HB2 GLU 7 -15.615 -2.482 -15.033 57 HB3 GLU 7 HB3 GLU 7 -16.238 -0.910 -14.565 58 HG2 GLU 7 HG2 GLU 7 -17.044 -2.465 -17.048 59 HG3 GLU 7 HG3 GLU 7 -17.960 -2.316 -15.554 60 H LYS 8 H LYS 8 -14.947 1.128 -14.624 61 HA LYS 8 HA LYS 8 -12.152 0.986 -13.638 62 HB2 LYS 8 HB2 LYS 8 -14.422 2.946 -13.192 63 HB3 LYS 8 HB3 LYS 8 -12.988 2.922 -12.150 64 HG2 LYS 8 HG2 LYS 8 -11.502 3.241 -14.048 65 HG3 LYS 8 HG3 LYS 8 -12.866 3.127 -15.175 66 HD2 LYS 8 HD2 LYS 8 -12.311 5.447 -14.965 67 HD3 LYS 8 HD3 LYS 8 -13.835 5.205 -14.094 68 HE2 LYS 8 HE2 LYS 8 -12.548 5.065 -11.946 69 HE3 LYS 8 HE3 LYS 8 -11.045 5.311 -12.849 70 HZ1 LYS 8 HZ1 LYS 8 -11.866 7.388 -11.889 71 HZ2 LYS 8 HZ2 LYS 8 -11.888 7.498 -13.516 72 HZ3 LYS 8 HZ3 LYS 8 -13.280 7.264 -12.692 73 H ARG 9 H ARG 9 -11.560 0.522 -11.669 74 HA ARG 9 HA ARG 9 -13.402 -0.516 -9.588 75 HB2 ARG 9 HB2 ARG 9 -12.771 -2.333 -11.319 76 HB3 ARG 9 HB3 ARG 9 -11.142 -2.269 -10.651 77 HG2 ARG 9 HG2 ARG 9 -11.939 -3.055 -8.499 78 HG3 ARG 9 HG3 ARG 9 -13.637 -2.770 -8.959 79 HD2 ARG 9 HD2 ARG 9 -13.510 -4.531 -10.659 80 HD3 ARG 9 HD3 ARG 9 -11.795 -4.810 -10.269 81 HE ARG 9 HE ARG 9 -13.313 -5.060 -7.875 82 HH11 ARG 9 HH11 ARG 9 -13.291 -8.379 -10.085 83 HH12 ARG 9 HH12 ARG 9 -12.931 -6.868 -10.867 84 HH21 ARG 9 HH21 ARG 9 -13.773 -7.023 -6.968 85 HH22 ARG 9 HH22 ARG 9 -13.756 -8.462 -7.952 86 H MET 10 H MET 10 -12.029 -1.195 -7.568 87 HA MET 10 HA MET 10 -9.596 0.436 -7.221 88 HB2 MET 10 HB2 MET 10 -11.586 1.994 -7.031 89 HB3 MET 10 HB3 MET 10 -12.140 1.020 -5.655 90 HG2 MET 10 HG2 MET 10 -9.837 1.556 -4.603 91 HG3 MET 10 HG3 MET 10 -9.665 2.765 -5.866 92 HE1 MET 10 HE1 MET 10 -12.525 4.038 -6.203 93 HE2 MET 10 HE2 MET 10 -12.543 5.306 -4.962 94 HE3 MET 10 HE3 MET 10 -11.085 5.054 -5.938 95 H PHE 11 H PHE 11 -8.329 -0.206 -5.580 96 HA PHE 11 HA PHE 11 -8.907 -2.659 -4.077 97 HB2 PHE 11 HB2 PHE 11 -6.560 -0.722 -4.098 98 HB3 PHE 11 HB3 PHE 11 -6.620 -2.175 -3.117 99 HD1 PHE 11 HD1 PHE 11 -5.959 -0.852 -6.455 100 HD2 PHE 11 HD2 PHE 11 -6.687 -4.446 -4.185 101 HE1 PHE 11 HE1 PHE 11 -5.001 -2.208 -8.296 102 HE2 PHE 11 HE2 PHE 11 -5.716 -5.799 -6.027 103 HZ PHE 11 HZ PHE 11 -4.875 -4.684 -8.087 104 H ALA 12 H ALA 12 -8.831 -2.817 -1.755 105 HA ALA 12 HA ALA 12 -10.444 -0.962 -0.355 106 HB1 ALA 12 HB1 ALA 12 -9.897 -2.364 1.600 107 HB2 ALA 12 HB2 ALA 12 -10.237 -3.364 0.175 108 HB3 ALA 12 HB3 ALA 12 -8.556 -3.111 0.706 109 H ASN 13 H ASN 13 -7.032 -0.798 -0.916 110 HA ASN 13 HA ASN 13 -6.454 1.061 1.277 111 HB2 ASN 13 HB2 ASN 13 -4.199 1.080 0.365 112 HB3 ASN 13 HB3 ASN 13 -4.797 -0.576 0.531 113 HD21 ASN 13 HD21 ASN 13 -3.279 -1.371 -0.975 114 H GLY 14 H GLY 14 -8.127 1.520 -1.589 115 HA2 GLY 14 HA2 GLY 14 -9.006 3.559 -2.306 116 HA3 GLY 14 HA3 GLY 14 -7.698 4.449 -1.511 117 H THR 15 H THR 15 -6.573 1.845 -3.516 118 HA THR 15 HA THR 15 -5.604 3.788 -5.546 119 HB THR 15 HB THR 15 -4.910 0.853 -5.186 120 HG1 THR 15 HG1 THR 15 -4.188 1.904 -3.476 121 HG21 THR 15 HG21 THR 15 -2.894 1.434 -6.519 122 HG22 THR 15 HG22 THR 15 -4.378 1.591 -7.462 123 HG23 THR 15 HG23 THR 15 -3.572 3.048 -6.827 124 H VAL 16 H VAL 16 -6.351 3.910 -7.600 125 HA VAL 16 HA VAL 16 -8.674 2.243 -8.353 126 HB VAL 16 HB VAL 16 -7.575 4.875 -9.377 127 HG11 VAL 16 HG11 VAL 16 -9.632 5.052 -10.746 128 HG12 VAL 16 HG12 VAL 16 -8.566 3.770 -11.315 129 HG13 VAL 16 HG13 VAL 16 -10.021 3.358 -10.374 130 HG21 VAL 16 HG21 VAL 16 -8.782 4.950 -7.201 131 HG22 VAL 16 HG22 VAL 16 -9.689 5.769 -8.477 132 HG23 VAL 16 HG23 VAL 16 -10.173 4.140 -7.959 133 H TYR 17 H TYR 17 -8.867 1.082 -10.194 134 HA TYR 17 HA TYR 17 -6.717 0.902 -12.178 135 HB2 TYR 17 HB2 TYR 17 -6.316 -1.435 -11.923 136 HB3 TYR 17 HB3 TYR 17 -6.017 -0.672 -10.390 137 HD1 TYR 17 HD1 TYR 17 -7.694 -0.957 -8.494 138 HD2 TYR 17 HD2 TYR 17 -7.909 -3.210 -12.165 139 HE1 TYR 17 HE1 TYR 17 -8.941 -2.763 -7.321 140 HE2 TYR 17 HE2 TYR 17 -9.242 -4.967 -11.010 141 HH TYR 17 HH TYR 17 -9.796 -4.869 -7.483 142 H TYR 18 H TYR 18 -7.436 -1.001 -13.785 143 HA TYR 18 HA TYR 18 -10.345 -0.676 -14.368 144 HB2 TYR 18 HB2 TYR 18 -8.058 -0.935 -16.342 145 HB3 TYR 18 HB3 TYR 18 -9.780 -0.796 -16.731 146 HD1 TYR 18 HD1 TYR 18 -10.960 1.342 -16.554 147 HD2 TYR 18 HD2 TYR 18 -6.798 1.009 -15.475 148 HE1 TYR 18 HE1 TYR 18 -10.769 3.824 -16.513 149 HE2 TYR 18 HE2 TYR 18 -6.615 3.495 -15.412 150 HH TYR 18 HH TYR 18 -9.388 5.613 -16.194 151 H PHE 19 H PHE 19 -11.500 -2.447 -14.895 152 HA PHE 19 HA PHE 19 -10.181 -5.126 -14.961 153 HB2 PHE 19 HB2 PHE 19 -10.781 -4.890 -12.693 154 HB3 PHE 19 HB3 PHE 19 -12.322 -4.125 -13.068 155 HD1 PHE 19 HD1 PHE 19 -14.324 -5.459 -13.568 156 HD2 PHE 19 HD2 PHE 19 -10.477 -7.350 -13.038 157 HE1 PHE 19 HE1 PHE 19 -15.426 -7.662 -13.371 158 HE2 PHE 19 HE2 PHE 19 -11.588 -9.560 -12.895 159 HZ PHE 19 HZ PHE 19 -14.066 -9.724 -13.061 160 H ASN 20 H ASN 20 -11.114 -6.603 -16.290 161 HA ASN 20 HA ASN 20 -13.402 -5.676 -17.941 162 HB2 ASN 20 HB2 ASN 20 -11.222 -6.256 -19.050 163 HB3 ASN 20 HB3 ASN 20 -11.491 -7.937 -18.559 164 HD21 ASN 20 HD21 ASN 20 -13.301 -6.554 -21.862 165 HD22 ASN 20 HD22 ASN 20 -11.926 -5.791 -21.077 166 H HIS 21 H HIS 21 -15.347 -6.438 -17.483 167 HA HIS 21 HA HIS 21 -15.645 -8.593 -15.544 168 HB2 HIS 21 HB2 HIS 21 -17.774 -7.853 -15.245 169 HB3 HIS 21 HB3 HIS 21 -16.985 -6.373 -15.774 170 HD2 HIS 21 HD2 HIS 21 -17.826 -5.289 -18.087 171 HE1 HIS 21 HE1 HIS 21 -20.901 -8.104 -18.977 172 HE2 HIS 21 HE2 HIS 21 -19.895 -5.853 -19.612 173 H ILE 22 H ILE 22 -15.500 -8.587 -18.945 174 HA ILE 22 HA ILE 22 -17.144 -11.025 -19.311 175 HB ILE 22 HB ILE 22 -15.615 -9.326 -21.322 176 HG12 ILE 22 HG12 ILE 22 -18.579 -9.335 -20.568 177 HG13 ILE 22 HG13 ILE 22 -17.414 -8.043 -20.219 178 HG21 ILE 22 HG21 ILE 22 -15.974 -11.638 -22.127 179 HG22 ILE 22 HG22 ILE 22 -17.709 -11.498 -21.769 180 HG23 ILE 22 HG23 ILE 22 -16.952 -10.502 -23.032 181 HD11 ILE 22 HD11 ILE 22 -18.692 -7.293 -22.037 182 HD12 ILE 22 HD12 ILE 22 -17.104 -7.729 -22.701 183 HD13 ILE 22 HD13 ILE 22 -18.503 -8.810 -22.935 184 H THR 23 H THR 23 -13.742 -9.974 -19.550 185 HA THR 23 HA THR 23 -12.863 -12.779 -20.051 186 HB THR 23 HB THR 23 -10.814 -11.812 -20.902 187 HG1 THR 23 HG1 THR 23 -10.889 -9.452 -21.121 188 HG21 THR 23 HG21 THR 23 -12.799 -11.931 -22.437 189 HG22 THR 23 HG22 THR 23 -13.157 -10.233 -22.050 190 HG23 THR 23 HG23 THR 23 -11.636 -10.665 -22.859 191 H ASN 24 H ASN 24 -13.132 -10.819 -17.382 192 HA ASN 24 HA ASN 24 -12.308 -10.751 -15.326 193 HB2 ASN 24 HB2 ASN 24 -12.813 -13.221 -15.550 194 HB3 ASN 24 HB3 ASN 24 -11.080 -13.479 -15.814 195 HD21 ASN 24 HD21 ASN 24 -10.228 -14.315 -13.942 196 HD22 ASN 24 HD22 ASN 24 -10.653 -13.747 -12.324 197 H ALA 25 H ALA 25 -10.498 -9.888 -17.661 198 HA ALA 25 HA ALA 25 -7.796 -9.988 -16.578 199 HB1 ALA 25 HB1 ALA 25 -7.282 -8.517 -18.477 200 HB2 ALA 25 HB2 ALA 25 -8.274 -9.891 -19.004 201 HB3 ALA 25 HB3 ALA 25 -9.012 -8.285 -18.795 202 H SER 26 H SER 26 -6.540 -8.071 -15.954 203 HA SER 26 HA SER 26 -7.974 -5.617 -15.306 204 HB2 SER 26 HB2 SER 26 -7.223 -5.470 -12.976 205 HB3 SER 26 HB3 SER 26 -8.362 -6.793 -13.220 206 HG SER 26 HG SER 26 -6.643 -8.243 -13.195 207 H GLN 27 H GLN 27 -6.679 -3.802 -15.009 208 HA GLN 27 HA GLN 27 -3.771 -3.998 -15.008 209 HB2 GLN 27 HB2 GLN 27 -3.342 -2.899 -17.078 210 HB3 GLN 27 HB3 GLN 27 -4.350 -4.308 -17.415 211 HG2 GLN 27 HG2 GLN 27 -6.324 -2.870 -17.694 212 HG3 GLN 27 HG3 GLN 27 -5.383 -1.455 -17.254 213 HE21 GLN 27 HE21 GLN 27 -4.877 -0.262 -19.031 214 HE22 GLN 27 HE22 GLN 27 -4.391 -0.947 -20.596 215 H PHE 28 H PHE 28 -2.720 -1.931 -14.570 216 HA PHE 28 HA PHE 28 -4.349 -0.298 -12.818 217 HB2 PHE 28 HB2 PHE 28 -2.174 -0.984 -12.138 218 HB3 PHE 28 HB3 PHE 28 -1.431 -0.370 -13.623 219 HD1 PHE 28 HD1 PHE 28 -0.757 1.880 -13.852 220 HD2 PHE 28 HD2 PHE 28 -3.078 0.672 -10.435 221 HE1 PHE 28 HE1 PHE 28 -0.299 4.081 -12.769 222 HE2 PHE 28 HE2 PHE 28 -2.623 2.866 -9.344 223 HZ PHE 28 HZ PHE 28 -1.231 4.569 -10.508 224 H GLU 29 H GLU 29 -2.842 0.273 -15.997 225 HA GLU 29 HA GLU 29 -3.674 3.119 -15.963 226 HB2 GLU 29 HB2 GLU 29 -2.234 3.413 -17.848 227 HB3 GLU 29 HB3 GLU 29 -1.371 2.569 -16.561 228 HG2 GLU 29 HG2 GLU 29 -1.700 0.412 -17.769 229 HG3 GLU 29 HG3 GLU 29 -2.596 1.257 -19.035 230 H ARG 30 H ARG 30 -4.645 4.080 -17.901 231 HA ARG 30 HA ARG 30 -7.183 3.059 -18.419 232 HB2 ARG 30 HB2 ARG 30 -6.739 5.387 -18.618 233 HB3 ARG 30 HB3 ARG 30 -5.465 5.123 -19.806 234 HG2 ARG 30 HG2 ARG 30 -7.353 6.070 -20.920 235 HG3 ARG 30 HG3 ARG 30 -7.117 4.417 -21.481 236 HD2 ARG 30 HD2 ARG 30 -8.966 3.951 -19.555 237 HD3 ARG 30 HD3 ARG 30 -9.349 5.634 -19.883 238 HE ARG 30 HE ARG 30 -9.225 3.458 -21.972 239 HH11 ARG 30 HH11 ARG 30 -12.093 6.180 -22.172 240 HH12 ARG 30 HH12 ARG 30 -10.980 6.284 -20.820 241 HH21 ARG 30 HH21 ARG 30 -10.528 3.570 -23.686 242 HH22 ARG 30 HH22 ARG 30 -11.956 4.593 -23.616 243 HA PRO 31 HA PRO 31 -6.232 0.093 -21.750 244 HB2 PRO 31 HB2 PRO 31 -8.664 -1.104 -21.977 245 HB3 PRO 31 HB3 PRO 31 -7.573 -1.411 -20.590 246 HG2 PRO 31 HG2 PRO 31 -9.900 0.536 -20.715 247 HG3 PRO 31 HG3 PRO 31 -9.560 -0.694 -19.462 248 HD2 PRO 31 HD2 PRO 31 -8.833 1.917 -19.183 249 HD3 PRO 31 HD3 PRO 31 -7.799 0.592 -18.559 250 H SER 32 H SER 32 -6.171 0.548 -23.875 251 HA SER 32 HA SER 32 -6.385 1.750 -25.784 252 HB2 SER 32 HB2 SER 32 -8.112 -0.067 -25.932 253 HB3 SER 32 HB3 SER 32 -9.340 1.162 -25.540 254 HG SER 32 HG SER 32 -9.054 0.884 -27.800 255 H GLY 33 H GLY 33 -5.858 3.580 -24.139 256 HA2 GLY 33 HA2 GLY 33 -7.770 5.720 -23.719 257 HA3 GLY 33 HA3 GLY 33 -6.021 5.808 -23.505 258 H1 4N2 101 H1 4N2 34 -3.650 -0.538 -3.800 259 H2 4N2 101 H2 4N2 34 -3.999 -2.953 -3.666 260 H3 4N2 101 H3 4N2 34 -1.961 -3.797 -4.932 261 H4 4N2 101 H4 4N2 34 -0.177 -2.096 -5.482 262 H5 4N2 101 H5 4N2 34 -1.431 -0.053 -4.934 263 H62 4N2 101 H62 4N2 34 1.019 0.157 -4.823 264 H61 4N2 101 H61 4N2 34 0.202 1.260 -3.719 265 HO2 4N2 101 H2O 4N2 34 -1.480 -3.339 -2.391 266 HO3 4N2 101 H3O 4N2 34 -3.551 -2.668 -6.113 267 HO4 4N2 101 H4O 4N2 34 0.790 -2.226 -3.253 268 HO6 4N2 101 H6O 4N2 34 0.725 -0.106 -1.987
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