NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22250 | 2jn7 | 15088 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 1.234 5.187 -9.216 2 2H MET 1 HT2 MET 1 0.938 4.124 -10.508 3 3H MET 1 HT3 MET 1 1.308 5.754 -10.813 4 HA MET 1 HA MET 1 3.121 3.923 -11.066 5 1HB MET 1 HB2 MET 1 4.823 5.663 -10.426 6 2HB MET 1 HB1 MET 1 3.533 6.296 -11.446 7 1HG MET 1 HG2 MET 1 2.375 7.179 -9.448 8 2HG MET 1 HG1 MET 1 3.664 6.555 -8.420 9 1HE MET 1 HE1 MET 1 2.782 9.587 -8.356 10 2HE MET 1 HE2 MET 1 4.388 10.291 -8.185 11 3HE MET 1 HE3 MET 1 4.005 8.780 -7.365 12 H SER 2 HN SER 2 4.903 3.040 -9.864 13 HA SER 2 HA SER 2 4.809 3.007 -6.937 14 1HB SER 2 HB2 SER 2 4.400 0.474 -8.560 15 2HB SER 2 HB1 SER 2 4.609 0.558 -6.811 16 HG SER 2 HG SER 2 2.700 1.791 -6.717 17 H ASN 3 HN ASN 3 6.740 2.263 -6.016 18 HA ASN 3 HA ASN 3 9.098 2.679 -7.523 19 1HB ASN 3 HB2 ASN 3 8.947 2.993 -5.082 20 2HB ASN 3 HB1 ASN 3 8.742 1.258 -4.869 21 1HD2 ASN 3 HD21 ASN 3 10.761 1.098 -3.643 22 2HD2 ASN 3 HD22 ASN 3 12.268 1.235 -4.411 23 H THR 4 HN THR 4 7.545 -0.309 -6.355 24 HA THR 4 HA THR 4 9.196 -1.927 -8.250 25 HB THR 4 HB THR 4 8.132 -2.737 -5.520 26 HG1 THR 4 HG1 THR 4 10.050 -2.243 -4.792 27 1HG2 THR 4 HG21 THR 4 8.292 -4.673 -7.017 28 2HG2 THR 4 HG22 THR 4 9.636 -4.712 -5.879 29 3HG2 THR 4 HG23 THR 4 9.904 -4.173 -7.535 30 H THR 5 HN THR 5 7.964 -3.133 -9.704 31 HA THR 5 HA THR 5 5.196 -3.884 -8.977 32 HB THR 5 HB THR 5 5.914 -2.583 -11.640 33 HG1 THR 5 HG1 THR 5 5.810 -0.926 -10.296 34 1HG2 THR 5 HG21 THR 5 3.262 -3.474 -10.446 35 2HG2 THR 5 HG22 THR 5 4.069 -4.196 -11.839 36 3HG2 THR 5 HG23 THR 5 3.436 -2.556 -11.941 37 H TRP 6 HN TRP 6 4.870 -5.993 -9.384 38 HA TRP 6 HA TRP 6 6.825 -7.719 -10.352 39 1HB TRP 6 HB2 TRP 6 3.813 -8.137 -10.418 40 2HB TRP 6 HB1 TRP 6 5.022 -9.416 -10.533 41 HD1 TRP 6 HD1 TRP 6 3.013 -7.608 -8.027 42 HE1 TRP 6 HE1 TRP 6 3.887 -8.044 -5.644 43 HE3 TRP 6 HE3 TRP 6 7.541 -9.722 -9.111 44 HZ2 TRP 6 HZ2 TRP 6 6.194 -9.135 -4.365 45 HZ3 TRP 6 HZ3 TRP 6 9.054 -10.444 -7.287 46 HH2 TRP 6 HH2 TRP 6 8.386 -10.153 -4.917 47 H GLY 7 HN GLY 7 3.764 -7.275 -12.159 48 1HA GLY 7 HA2 GLY 7 4.835 -8.121 -14.609 49 2HA GLY 7 HA1 GLY 7 3.356 -7.199 -14.412 50 H LEU 8 HN LEU 8 4.218 -6.337 -16.528 51 HA LEU 8 HA LEU 8 6.491 -4.687 -16.727 52 1HB LEU 8 HB2 LEU 8 3.834 -4.316 -18.161 53 2HB LEU 8 HB1 LEU 8 5.415 -3.765 -18.713 54 HG LEU 8 HG LEU 8 4.569 -6.667 -18.363 55 1HD1 LEU 8 HD11 LEU 8 3.483 -5.570 -20.278 56 2HD1 LEU 8 HD12 LEU 8 4.679 -6.740 -20.834 57 3HD1 LEU 8 HD13 LEU 8 5.052 -5.016 -20.865 58 1HD2 LEU 8 HD21 LEU 8 6.775 -7.048 -19.693 59 2HD2 LEU 8 HD22 LEU 8 6.932 -6.642 -17.994 60 3HD2 LEU 8 HD23 LEU 8 7.203 -5.401 -19.221 61 H GLN 9 HN GLN 9 6.847 -2.545 -16.524 62 HA GLN 9 HA GLN 9 5.530 -1.241 -14.310 63 1HB GLN 9 HB2 GLN 9 7.974 -0.981 -14.825 64 2HB GLN 9 HB1 GLN 9 7.546 -0.051 -16.258 65 1HG GLN 9 HG2 GLN 9 6.412 1.633 -14.843 66 2HG GLN 9 HG1 GLN 9 6.784 0.685 -13.406 67 1HE2 GLN 9 HE21 GLN 9 7.860 2.953 -12.921 68 2HE2 GLN 9 HE22 GLN 9 9.483 3.111 -13.391 69 H ARG 10 HN ARG 10 3.374 -1.009 -14.942 70 HA ARG 10 HA ARG 10 2.854 1.301 -16.722 71 1HB ARG 10 HB2 ARG 10 1.368 -1.349 -16.877 72 2HB ARG 10 HB1 ARG 10 0.919 0.117 -17.749 73 1HG ARG 10 HG2 ARG 10 3.098 0.087 -18.924 74 2HG ARG 10 HG1 ARG 10 3.543 -1.380 -18.054 75 1HD ARG 10 HD2 ARG 10 2.724 -1.987 -20.266 76 2HD ARG 10 HD1 ARG 10 1.575 -2.543 -19.049 77 HE ARG 10 HE ARG 10 0.840 0.051 -19.924 78 1HH1 ARG 10 HH21 ARG 10 1.013 -3.236 -21.043 79 2HH1 ARG 10 HH22 ARG 10 -0.318 -3.069 -22.140 80 1HH2 ARG 10 HH11 ARG 10 -0.894 0.259 -21.360 81 2HH2 ARG 10 HH12 ARG 10 -1.395 -1.095 -22.318 82 H ASP 11 HN ASP 11 1.340 2.661 -15.921 83 HA ASP 11 HA ASP 11 -0.423 1.809 -13.666 84 1HB ASP 11 HB2 ASP 11 -0.079 4.057 -12.661 85 2HB ASP 11 HB1 ASP 11 1.446 3.178 -12.744 86 H ILE 12 HN ILE 12 -0.555 2.297 -16.661 87 HA ILE 12 HA ILE 12 -2.539 4.380 -16.960 88 HB ILE 12 HB ILE 12 -2.380 2.132 -18.991 89 1HG1 ILE 12 HG12 ILE 12 -0.132 4.146 -18.629 90 2HG1 ILE 12 HG11 ILE 12 0.000 2.413 -18.356 91 1HG2 ILE 12 HG21 ILE 12 -2.240 5.146 -19.436 92 2HG2 ILE 12 HG22 ILE 12 -3.769 4.302 -19.250 93 3HG2 ILE 12 HG23 ILE 12 -2.714 3.905 -20.598 94 1HD1 ILE 12 HD11 ILE 12 0.886 2.762 -20.526 95 2HD1 ILE 12 HD12 ILE 12 -0.433 3.839 -20.979 96 3HD1 ILE 12 HD13 ILE 12 -0.728 2.108 -20.801 97 H THR 13 HN THR 13 -4.763 3.250 -18.213 98 HA THR 13 HA THR 13 -6.402 2.406 -16.180 99 HB THR 13 HB THR 13 -7.549 1.087 -18.379 100 HG1 THR 13 HG1 THR 13 -7.003 2.411 -20.151 101 1HG2 THR 13 HG21 THR 13 -7.581 4.061 -17.751 102 2HG2 THR 13 HG22 THR 13 -8.690 2.844 -17.119 103 3HG2 THR 13 HG23 THR 13 -8.714 3.251 -18.835 104 HA PRO 14 HA PRO 14 -5.579 -2.276 -16.838 105 1HB PRO 14 HB2 PRO 14 -3.636 -3.116 -18.590 106 2HB PRO 14 HB1 PRO 14 -5.279 -2.720 -19.154 107 1HG PRO 14 HG2 PRO 14 -2.865 -0.898 -19.075 108 2HG PRO 14 HG1 PRO 14 -3.891 -1.305 -20.476 109 1HD PRO 14 HD2 PRO 14 -4.408 0.937 -19.138 110 2HD PRO 14 HD1 PRO 14 -5.769 -0.093 -19.597 111 H ARG 15 HN ARG 15 -4.623 -1.151 -14.752 112 HA ARG 15 HA ARG 15 -1.707 -0.997 -14.587 113 1HB ARG 15 HB2 ARG 15 -2.176 -0.215 -12.302 114 2HB ARG 15 HB1 ARG 15 -3.099 0.693 -13.495 115 1HG ARG 15 HG2 ARG 15 -5.095 -0.695 -13.016 116 2HG ARG 15 HG1 ARG 15 -4.186 -1.604 -11.814 117 1HD ARG 15 HD2 ARG 15 -3.822 0.463 -10.520 118 2HD ARG 15 HD1 ARG 15 -4.728 1.378 -11.725 119 HE ARG 15 HE ARG 15 -6.254 -0.831 -10.698 120 1HH1 ARG 15 HH21 ARG 15 -5.178 2.395 -9.970 121 2HH1 ARG 15 HH22 ARG 15 -6.523 2.746 -8.937 122 1HH2 ARG 15 HH11 ARG 15 -8.009 -0.355 -9.350 123 2HH2 ARG 15 HH12 ARG 15 -8.120 1.196 -8.588 124 H LEU 16 HN LEU 16 -3.826 -3.508 -14.548 125 HA LEU 16 HA LEU 16 -2.248 -5.084 -12.572 126 1HB LEU 16 HB2 LEU 16 -4.658 -4.860 -12.031 127 2HB LEU 16 HB1 LEU 16 -5.079 -5.521 -13.600 128 HG LEU 16 HG LEU 16 -3.222 -7.255 -11.956 129 1HD1 LEU 16 HD11 LEU 16 -4.982 -8.156 -10.529 130 2HD1 LEU 16 HD12 LEU 16 -6.147 -7.004 -11.179 131 3HD1 LEU 16 HD13 LEU 16 -4.792 -6.434 -10.207 132 1HD2 LEU 16 HD21 LEU 16 -5.796 -7.884 -13.472 133 2HD2 LEU 16 HD22 LEU 16 -4.650 -9.064 -12.835 134 3HD2 LEU 16 HD23 LEU 16 -4.178 -8.007 -14.154 135 H GLY 17 HN GLY 17 -1.144 -6.777 -13.289 136 1HA GLY 17 HA2 GLY 17 -1.569 -7.845 -16.036 137 2HA GLY 17 HA1 GLY 17 0.037 -7.343 -15.503 138 H ALA 18 HN ALA 18 0.318 -9.725 -16.116 139 HA ALA 18 HA ALA 18 0.688 -11.265 -13.728 140 1HB ALA 18 HB1 ALA 18 -0.881 -13.098 -14.261 141 2HB ALA 18 HB2 ALA 18 -1.545 -12.148 -15.590 142 3HB ALA 18 HB3 ALA 18 -1.740 -11.598 -13.928 143 H ARG 19 HN ARG 19 2.748 -10.916 -15.133 144 HA ARG 19 HA ARG 19 2.962 -12.430 -17.579 145 1HB ARG 19 HB2 ARG 19 5.425 -11.891 -17.378 146 2HB ARG 19 HB1 ARG 19 4.381 -10.474 -17.312 147 1HG ARG 19 HG2 ARG 19 4.532 -10.493 -14.830 148 2HG ARG 19 HG1 ARG 19 5.609 -11.872 -14.909 149 1HD ARG 19 HD2 ARG 19 6.231 -9.238 -16.269 150 2HD ARG 19 HD1 ARG 19 6.803 -9.666 -14.658 151 HE ARG 19 HE ARG 19 7.458 -11.753 -16.445 152 1HH1 ARG 19 HH21 ARG 19 8.287 -8.458 -15.705 153 2HH1 ARG 19 HH22 ARG 19 9.904 -8.596 -16.309 154 1HH2 ARG 19 HH11 ARG 19 9.569 -11.922 -17.225 155 2HH2 ARG 19 HH12 ARG 19 10.628 -10.553 -17.169 156 H LEU 20 HN LEU 20 3.293 -14.558 -17.780 157 HA LEU 20 HA LEU 20 4.066 -16.177 -15.412 158 1HB LEU 20 HB2 LEU 20 2.651 -16.744 -18.027 159 2HB LEU 20 HB1 LEU 20 3.418 -18.071 -17.162 160 HG LEU 20 HG LEU 20 2.064 -17.588 -15.161 161 1HD1 LEU 20 HD11 LEU 20 0.149 -15.925 -15.400 162 2HD1 LEU 20 HD12 LEU 20 0.947 -15.339 -16.860 163 3HD1 LEU 20 HD13 LEU 20 1.753 -15.208 -15.299 164 1HD2 LEU 20 HD21 LEU 20 1.163 -19.136 -16.849 165 2HD2 LEU 20 HD22 LEU 20 0.422 -17.794 -17.713 166 3HD2 LEU 20 HD23 LEU 20 -0.150 -18.232 -16.102 167 H VAL 21 HN VAL 21 5.705 -17.730 -15.559 168 HA VAL 21 HA VAL 21 7.858 -17.075 -17.504 169 HB VAL 21 HB VAL 21 9.375 -18.174 -15.851 170 1HG1 VAL 21 HG11 VAL 21 9.221 -16.419 -14.106 171 2HG1 VAL 21 HG12 VAL 21 7.592 -16.021 -14.655 172 3HG1 VAL 21 HG13 VAL 21 8.974 -15.740 -15.715 173 1HG2 VAL 21 HG21 VAL 21 6.826 -18.458 -14.205 174 2HG2 VAL 21 HG22 VAL 21 8.450 -18.688 -13.558 175 3HG2 VAL 21 HG23 VAL 21 7.843 -19.769 -14.804 176 H GLN 22 HN GLN 22 8.574 -18.570 -18.881 177 HA GLN 22 HA GLN 22 7.026 -20.986 -19.311 178 1HB GLN 22 HB2 GLN 22 7.828 -19.563 -21.175 179 2HB GLN 22 HB1 GLN 22 9.491 -19.932 -20.742 180 1HG GLN 22 HG2 GLN 22 7.507 -22.161 -21.392 181 2HG GLN 22 HG1 GLN 22 8.397 -21.337 -22.666 182 1HE2 GLN 22 HE21 GLN 22 10.940 -21.169 -21.986 183 2HE2 GLN 22 HE22 GLN 22 11.600 -22.646 -21.474 184 H GLU 23 HN GLU 23 7.674 -23.066 -18.973 185 HA GLU 23 HA GLU 23 10.313 -23.932 -18.447 186 1HB GLU 23 HB2 GLU 23 9.942 -24.522 -15.958 187 2HB GLU 23 HB1 GLU 23 10.291 -22.836 -16.327 188 1HG GLU 23 HG2 GLU 23 7.875 -22.306 -16.223 189 2HG GLU 23 HG1 GLU 23 7.519 -23.986 -15.846 190 H GLY 24 HN GLY 24 10.149 -25.895 -19.363 191 1HA GLY 24 HA2 GLY 24 9.473 -28.063 -19.749 192 2HA GLY 24 HA1 GLY 24 8.433 -27.946 -18.327 193 H ASN 25 HN ASN 25 6.612 -28.890 -19.326 194 HA ASN 25 HA ASN 25 5.513 -27.549 -21.714 195 1HB ASN 25 HB2 ASN 25 3.981 -29.509 -21.803 196 2HB ASN 25 HB1 ASN 25 5.675 -29.997 -21.799 197 1HD2 ASN 25 HD21 ASN 25 3.390 -31.636 -20.854 198 2HD2 ASN 25 HD22 ASN 25 3.681 -31.950 -19.212 199 H GLN 26 HN GLN 26 5.445 -26.842 -18.623 200 HA GLN 26 HA GLN 26 2.592 -25.968 -18.584 201 1HB GLN 26 HB2 GLN 26 4.156 -27.181 -16.275 202 2HB GLN 26 HB1 GLN 26 2.553 -26.453 -16.144 203 1HG GLN 26 HG2 GLN 26 1.662 -28.123 -17.734 204 2HG GLN 26 HG1 GLN 26 3.260 -28.857 -17.860 205 1HE2 GLN 26 HE21 GLN 26 0.589 -29.887 -16.684 206 2HE2 GLN 26 HE22 GLN 26 1.020 -30.433 -15.136 207 H LEU 27 HN LEU 27 2.234 -24.088 -17.256 208 HA LEU 27 HA LEU 27 4.636 -22.332 -16.990 209 1HB LEU 27 HB2 LEU 27 1.718 -21.497 -17.247 210 2HB LEU 27 HB1 LEU 27 3.140 -20.467 -17.274 211 HG LEU 27 HG LEU 27 3.798 -22.137 -19.364 212 1HD1 LEU 27 HD11 LEU 27 0.763 -21.948 -19.467 213 2HD1 LEU 27 HD12 LEU 27 1.673 -23.424 -19.156 214 3HD1 LEU 27 HD13 LEU 27 1.813 -22.617 -20.709 215 1HD2 LEU 27 HD21 LEU 27 1.945 -19.733 -19.606 216 2HD2 LEU 27 HD22 LEU 27 2.929 -20.406 -20.907 217 3HD2 LEU 27 HD23 LEU 27 3.705 -19.666 -19.510 218 H HIS 28 HN HIS 28 5.151 -21.552 -15.033 219 HA HIS 28 HA HIS 28 3.668 -22.465 -12.680 220 1HB HIS 28 HB2 HIS 28 6.197 -22.484 -12.891 221 2HB HIS 28 HB1 HIS 28 6.170 -20.729 -12.773 222 HD1 HIS 28 HD1 HIS 28 3.745 -20.693 -10.660 223 HD2 HIS 28 HD2 HIS 28 7.273 -22.883 -10.288 224 HE1 HIS 28 HE1 HIS 28 3.993 -21.237 -8.202 225 HE2 HIS 28 HE2 HIS 28 6.151 -22.550 -7.954 226 H TYR 29 HN TYR 29 1.995 -21.251 -11.926 227 HA TYR 29 HA TYR 29 2.007 -18.291 -12.259 228 1HB TYR 29 HB2 TYR 29 -0.018 -19.416 -13.068 229 2HB TYR 29 HB1 TYR 29 -0.237 -20.201 -11.507 230 HD1 TYR 29 HD1 TYR 29 -1.502 -19.047 -9.786 231 HD2 TYR 29 HD2 TYR 29 0.099 -16.813 -13.104 232 HE1 TYR 29 HE1 TYR 29 -2.669 -17.014 -8.991 233 HE2 TYR 29 HE2 TYR 29 -1.078 -14.783 -12.291 234 HH TYR 29 HH TYR 29 -3.545 -14.779 -10.262 235 H LEU 30 HN LEU 30 2.998 -17.335 -10.616 236 HA LEU 30 HA LEU 30 2.981 -18.434 -7.872 237 1HB LEU 30 HB2 LEU 30 4.540 -16.308 -9.337 238 2HB LEU 30 HB1 LEU 30 4.663 -16.470 -7.592 239 HG LEU 30 HG LEU 30 5.181 -18.856 -9.436 240 1HD1 LEU 30 HD11 LEU 30 7.602 -18.317 -9.331 241 2HD1 LEU 30 HD12 LEU 30 7.226 -16.807 -8.502 242 3HD1 LEU 30 HD13 LEU 30 6.704 -17.051 -10.168 243 1HD2 LEU 30 HD21 LEU 30 4.930 -19.335 -6.994 244 2HD2 LEU 30 HD22 LEU 30 6.173 -18.149 -6.636 245 3HD2 LEU 30 HD23 LEU 30 6.582 -19.619 -7.516 246 H ALA 31 HN ALA 31 1.310 -17.799 -6.614 247 HA ALA 31 HA ALA 31 -0.420 -15.643 -7.107 248 1HB ALA 31 HB1 ALA 31 -1.001 -17.558 -5.682 249 2HB ALA 31 HB2 ALA 31 -1.240 -16.036 -4.824 250 3HB ALA 31 HB3 ALA 31 0.177 -17.031 -4.482 251 H ASP 32 HN ASP 32 2.450 -15.893 -5.048 252 HA ASP 32 HA ASP 32 2.225 -13.363 -3.774 253 1HB ASP 32 HB2 ASP 32 3.613 -15.246 -2.950 254 2HB ASP 32 HB1 ASP 32 4.703 -15.028 -4.315 255 H ARG 33 HN ARG 33 2.862 -14.133 -6.986 256 HA ARG 33 HA ARG 33 4.393 -11.622 -7.497 257 1HB ARG 33 HB2 ARG 33 5.380 -13.866 -8.211 258 2HB ARG 33 HB1 ARG 33 4.054 -13.989 -9.360 259 1HG ARG 33 HG2 ARG 33 4.760 -11.855 -10.398 260 2HG ARG 33 HG1 ARG 33 6.087 -11.741 -9.257 261 1HD ARG 33 HD2 ARG 33 6.785 -12.683 -11.484 262 2HD ARG 33 HD1 ARG 33 7.111 -13.764 -10.132 263 HE ARG 33 HE ARG 33 5.652 -15.275 -11.086 264 1HH1 ARG 33 HH21 ARG 33 4.949 -12.087 -12.269 265 2HH1 ARG 33 HH22 ARG 33 3.696 -12.621 -13.339 266 1HH2 ARG 33 HH11 ARG 33 4.021 -15.964 -12.489 267 2HH2 ARG 33 HH12 ARG 33 3.172 -14.811 -13.464 268 H ALA 34 HN ALA 34 2.121 -10.713 -7.112 269 HA ALA 34 HA ALA 34 1.118 -9.822 -9.589 270 1HB ALA 34 HB1 ALA 34 -0.710 -11.735 -8.076 271 2HB ALA 34 HB2 ALA 34 -0.029 -12.016 -9.679 272 3HB ALA 34 HB3 ALA 34 -1.208 -10.728 -9.436 273 H SER 35 HN SER 35 -1.061 -8.569 -9.146 274 HA SER 35 HA SER 35 -0.975 -7.285 -6.455 275 1HB SER 35 HB2 SER 35 0.328 -5.961 -8.117 276 2HB SER 35 HB1 SER 35 -1.124 -5.818 -9.105 277 HG SER 35 HG SER 35 -1.969 -5.117 -6.821 278 H ILE 36 HN ILE 36 -3.047 -6.569 -5.744 279 HA ILE 36 HA ILE 36 -5.363 -7.336 -7.455 280 HB ILE 36 HB ILE 36 -5.243 -6.922 -4.437 281 1HG1 ILE 36 HG12 ILE 36 -5.421 -9.533 -6.016 282 2HG1 ILE 36 HG11 ILE 36 -3.937 -8.940 -5.276 283 1HG2 ILE 36 HG21 ILE 36 -7.482 -6.499 -5.412 284 2HG2 ILE 36 HG22 ILE 36 -7.505 -8.013 -4.528 285 3HG2 ILE 36 HG23 ILE 36 -7.403 -8.026 -6.287 286 1HD1 ILE 36 HD11 ILE 36 -5.076 -8.953 -3.053 287 2HD1 ILE 36 HD12 ILE 36 -4.981 -10.553 -3.784 288 3HD1 ILE 36 HD13 ILE 36 -6.500 -9.659 -3.821 289 H THR 37 HN THR 37 -6.918 -5.851 -7.899 290 HA THR 37 HA THR 37 -6.601 -3.042 -6.932 291 HB THR 37 HB THR 37 -5.785 -3.222 -9.253 292 HG1 THR 37 HG1 THR 37 -6.891 -1.363 -8.708 293 1HG2 THR 37 HG21 THR 37 -7.210 -5.260 -9.842 294 2HG2 THR 37 HG22 THR 37 -7.190 -3.995 -11.067 295 3HG2 THR 37 HG23 THR 37 -8.579 -4.161 -9.998 296 H GLY 38 HN GLY 38 -8.550 -1.902 -6.610 297 1HA GLY 38 HA2 GLY 38 -10.774 -1.612 -6.184 298 2HA GLY 38 HA1 GLY 38 -11.110 -2.913 -7.321 299 H LYS 39 HN LYS 39 -12.485 -4.224 -6.255 300 HA LYS 39 HA LYS 39 -11.623 -5.865 -4.071 301 1HB LYS 39 HB2 LYS 39 -13.326 -5.065 -2.413 302 2HB LYS 39 HB1 LYS 39 -12.052 -3.884 -2.709 303 1HG LYS 39 HG2 LYS 39 -13.551 -2.716 -4.335 304 2HG LYS 39 HG1 LYS 39 -14.831 -3.863 -3.944 305 1HD LYS 39 HD2 LYS 39 -14.798 -3.136 -1.595 306 2HD LYS 39 HD1 LYS 39 -13.488 -2.011 -1.952 307 1HE LYS 39 HE2 LYS 39 -15.686 -0.861 -1.931 308 2HE LYS 39 HE1 LYS 39 -14.936 -0.794 -3.527 309 1HZ LYS 39 HZ1 LYS 39 -17.388 -1.476 -3.352 310 2HZ LYS 39 HZ2 LYS 39 -16.790 -2.978 -2.830 311 3HZ LYS 39 HZ3 LYS 39 -16.372 -2.381 -4.364 312 H PHE 40 HN PHE 40 -12.723 -7.704 -4.038 313 HA PHE 40 HA PHE 40 -15.229 -7.999 -5.648 314 1HB PHE 40 HB2 PHE 40 -13.084 -10.057 -4.983 315 2HB PHE 40 HB1 PHE 40 -14.486 -10.282 -6.033 316 HD1 PHE 40 HD1 PHE 40 -11.100 -8.873 -5.789 317 HD2 PHE 40 HD2 PHE 40 -14.653 -9.031 -8.215 318 HE1 PHE 40 HE1 PHE 40 -9.830 -7.966 -7.711 319 HE2 PHE 40 HE2 PHE 40 -13.373 -8.125 -10.134 320 HZ PHE 40 HZ PHE 40 -10.966 -7.594 -9.884 321 H SER 41 HN SER 41 -16.967 -8.420 -4.515 322 HA SER 41 HA SER 41 -16.981 -8.791 -1.700 323 1HB SER 41 HB2 SER 41 -18.889 -7.814 -2.888 324 2HB SER 41 HB1 SER 41 -19.140 -9.325 -3.760 325 HG SER 41 HG SER 41 -20.208 -10.002 -2.095 326 H ASP 42 HN ASP 42 -18.147 -10.671 -0.684 327 HA ASP 42 HA ASP 42 -16.705 -13.098 -1.098 328 1HB ASP 42 HB2 ASP 42 -17.725 -12.389 1.076 329 2HB ASP 42 HB1 ASP 42 -19.319 -12.690 0.391 330 H ALA 43 HN ALA 43 -19.566 -11.837 -2.618 331 HA ALA 43 HA ALA 43 -20.330 -14.503 -3.631 332 1HB ALA 43 HB1 ALA 43 -22.258 -13.344 -4.628 333 2HB ALA 43 HB2 ALA 43 -21.602 -11.787 -4.117 334 3HB ALA 43 HB3 ALA 43 -22.129 -12.961 -2.911 335 H GLU 44 HN GLU 44 -18.267 -11.968 -4.492 336 HA GLU 44 HA GLU 44 -18.365 -12.562 -7.423 337 1HB GLU 44 HB2 GLU 44 -17.142 -10.257 -5.868 338 2HB GLU 44 HB1 GLU 44 -17.037 -10.463 -7.618 339 1HG GLU 44 HG2 GLU 44 -19.499 -10.400 -7.786 340 2HG GLU 44 HG1 GLU 44 -19.623 -10.215 -6.039 341 H CYS 45 HN CYS 45 -16.320 -12.645 -4.576 342 HA CYS 45 HA CYS 45 -13.834 -13.155 -5.817 343 1HB CYS 45 HB2 CYS 45 -13.579 -12.652 -3.543 344 2HB CYS 45 HB1 CYS 45 -15.005 -13.552 -3.077 345 HG CYS 45 HG CYS 45 -13.397 -15.758 -3.628 346 HA PRO 46 HA PRO 46 -14.683 -17.961 -5.381 347 1HB PRO 46 HB2 PRO 46 -17.335 -18.717 -5.113 348 2HB PRO 46 HB1 PRO 46 -16.262 -18.428 -3.723 349 1HG PRO 46 HG2 PRO 46 -18.177 -16.494 -5.027 350 2HG PRO 46 HG1 PRO 46 -18.048 -16.930 -3.304 351 1HD PRO 46 HD2 PRO 46 -16.864 -14.712 -4.130 352 2HD PRO 46 HD1 PRO 46 -15.937 -15.797 -3.067 353 H LYS 47 HN LYS 47 -17.379 -16.097 -6.843 354 HA LYS 47 HA LYS 47 -17.737 -17.771 -9.080 355 1HB LYS 47 HB2 LYS 47 -19.365 -16.044 -8.310 356 2HB LYS 47 HB1 LYS 47 -18.283 -14.787 -8.891 357 1HG LYS 47 HG2 LYS 47 -18.479 -15.614 -11.191 358 2HG LYS 47 HG1 LYS 47 -19.453 -16.981 -10.659 359 1HD LYS 47 HD2 LYS 47 -20.412 -14.150 -10.053 360 2HD LYS 47 HD1 LYS 47 -20.648 -14.804 -11.666 361 1HE LYS 47 HE2 LYS 47 -21.652 -16.121 -9.115 362 2HE LYS 47 HE1 LYS 47 -22.633 -15.170 -10.223 363 1HZ LYS 47 HZ1 LYS 47 -22.936 -16.986 -11.419 364 2HZ LYS 47 HZ2 LYS 47 -21.914 -17.883 -10.400 365 3HZ LYS 47 HZ3 LYS 47 -21.273 -17.059 -11.741 366 H LEU 48 HN LEU 48 -15.511 -15.031 -8.569 367 HA LEU 48 HA LEU 48 -14.641 -15.022 -11.323 368 1HB LEU 48 HB2 LEU 48 -14.568 -12.975 -9.929 369 2HB LEU 48 HB1 LEU 48 -13.396 -13.743 -8.866 370 HG LEU 48 HG LEU 48 -11.774 -13.875 -10.761 371 1HD1 LEU 48 HD11 LEU 48 -14.065 -12.644 -12.324 372 2HD1 LEU 48 HD12 LEU 48 -13.034 -14.007 -12.763 373 3HD1 LEU 48 HD13 LEU 48 -12.393 -12.375 -12.825 374 1HD2 LEU 48 HD21 LEU 48 -11.749 -11.923 -9.266 375 2HD2 LEU 48 HD22 LEU 48 -12.932 -11.108 -10.288 376 3HD2 LEU 48 HD23 LEU 48 -11.315 -11.443 -10.906 377 H ASP 49 HN ASP 49 -13.505 -16.393 -8.269 378 HA ASP 49 HA ASP 49 -10.929 -17.185 -9.103 379 1HB ASP 49 HB2 ASP 49 -12.745 -18.417 -7.001 380 2HB ASP 49 HB1 ASP 49 -11.030 -18.784 -7.174 381 H VAL 50 HN VAL 50 -14.045 -18.767 -9.450 382 HA VAL 50 HA VAL 50 -12.866 -21.239 -10.452 383 HB VAL 50 HB VAL 50 -15.008 -21.334 -9.265 384 1HG1 VAL 50 HG11 VAL 50 -16.142 -19.788 -11.616 385 2HG1 VAL 50 HG12 VAL 50 -15.933 -19.179 -9.980 386 3HG1 VAL 50 HG13 VAL 50 -17.074 -20.477 -10.287 387 1HG2 VAL 50 HG21 VAL 50 -16.217 -22.798 -10.804 388 2HG2 VAL 50 HG22 VAL 50 -14.485 -23.064 -10.992 389 3HG2 VAL 50 HG23 VAL 50 -15.369 -22.114 -12.187 390 H VAL 51 HN VAL 51 -13.701 -18.193 -11.828 391 HA VAL 51 HA VAL 51 -13.901 -19.170 -14.581 392 HB VAL 51 HB VAL 51 -13.908 -16.416 -13.295 393 1HG1 VAL 51 HG11 VAL 51 -14.458 -15.532 -15.625 394 2HG1 VAL 51 HG12 VAL 51 -13.924 -17.085 -16.266 395 3HG1 VAL 51 HG13 VAL 51 -12.782 -16.037 -15.425 396 1HG2 VAL 51 HG21 VAL 51 -16.007 -17.896 -14.936 397 2HG2 VAL 51 HG22 VAL 51 -16.229 -16.364 -14.091 398 3HG2 VAL 51 HG23 VAL 51 -15.975 -17.847 -13.175 399 H PHE 52 HN PHE 52 -11.421 -18.011 -12.397 400 HA PHE 52 HA PHE 52 -9.482 -17.134 -14.218 401 1HB PHE 52 HB2 PHE 52 -9.517 -17.985 -11.377 402 2HB PHE 52 HB1 PHE 52 -7.987 -18.370 -12.145 403 HD1 PHE 52 HD1 PHE 52 -10.095 -15.657 -10.860 404 HD2 PHE 52 HD2 PHE 52 -6.627 -16.537 -13.250 405 HE1 PHE 52 HE1 PHE 52 -9.353 -13.302 -10.657 406 HE2 PHE 52 HE2 PHE 52 -5.890 -14.182 -13.037 407 HZ PHE 52 HZ PHE 52 -7.250 -12.565 -11.744 408 HA PRO 53 HA PRO 53 -7.630 -21.639 -14.518 409 1HB PRO 53 HB2 PRO 53 -9.420 -23.721 -14.041 410 2HB PRO 53 HB1 PRO 53 -8.305 -23.080 -12.814 411 1HG PRO 53 HG2 PRO 53 -11.192 -22.349 -13.287 412 2HG PRO 53 HG1 PRO 53 -10.384 -22.761 -11.754 413 1HD PRO 53 HD2 PRO 53 -10.784 -20.205 -12.354 414 2HD PRO 53 HD1 PRO 53 -9.215 -20.665 -11.674 415 H HIS 54 HN HIS 54 -10.976 -20.866 -15.398 416 HA HIS 54 HA HIS 54 -11.148 -22.506 -17.698 417 1HB HIS 54 HB2 HIS 54 -13.091 -21.309 -16.660 418 2HB HIS 54 HB1 HIS 54 -12.457 -19.792 -17.282 419 HD1 HIS 54 HD1 HIS 54 -13.039 -19.194 -19.657 420 HD2 HIS 54 HD2 HIS 54 -13.796 -23.207 -18.823 421 HE1 HIS 54 HE1 HIS 54 -14.210 -20.143 -21.693 422 HE2 HIS 54 HE2 HIS 54 -14.687 -22.585 -21.196 423 H PHE 55 HN PHE 55 -10.126 -19.095 -17.341 424 HA PHE 55 HA PHE 55 -9.328 -18.749 -20.101 425 1HB PHE 55 HB2 PHE 55 -8.830 -17.227 -17.524 426 2HB PHE 55 HB1 PHE 55 -7.982 -16.778 -19.000 427 HD1 PHE 55 HD1 PHE 55 -9.270 -16.071 -21.040 428 HD2 PHE 55 HD2 PHE 55 -11.207 -16.658 -17.238 429 HE1 PHE 55 HE1 PHE 55 -11.227 -14.784 -21.837 430 HE2 PHE 55 HE2 PHE 55 -13.162 -15.363 -18.048 431 HZ PHE 55 HZ PHE 55 -13.167 -14.429 -20.347 432 H ILE 56 HN ILE 56 -7.517 -19.689 -17.147 433 HA ILE 56 HA ILE 56 -5.005 -19.686 -18.508 434 HB ILE 56 HB ILE 56 -5.765 -21.220 -16.002 435 1HG1 ILE 56 HG12 ILE 56 -4.429 -18.484 -16.237 436 2HG1 ILE 56 HG11 ILE 56 -6.150 -18.682 -15.934 437 1HG2 ILE 56 HG21 ILE 56 -3.661 -22.049 -16.962 438 2HG2 ILE 56 HG22 ILE 56 -3.297 -21.097 -15.533 439 3HG2 ILE 56 HG23 ILE 56 -3.061 -20.400 -17.134 440 1HD1 ILE 56 HD11 ILE 56 -4.958 -18.338 -13.823 441 2HD1 ILE 56 HD12 ILE 56 -3.919 -19.721 -14.162 442 3HD1 ILE 56 HD13 ILE 56 -5.643 -19.962 -13.875 443 H SER 57 HN SER 57 -7.476 -22.154 -17.990 444 HA SER 57 HA SER 57 -6.114 -24.424 -18.854 445 1HB SER 57 HB2 SER 57 -9.014 -23.634 -19.215 446 2HB SER 57 HB1 SER 57 -8.395 -25.238 -19.605 447 HG SER 57 HG SER 57 -8.980 -25.443 -17.543 448 H GLN 58 HN GLN 58 -7.295 -21.696 -20.711 449 HA GLN 58 HA GLN 58 -6.975 -23.011 -23.308 450 1HB GLN 58 HB2 GLN 58 -7.492 -20.103 -22.596 451 2HB GLN 58 HB1 GLN 58 -7.547 -20.788 -24.222 452 1HG GLN 58 HG2 GLN 58 -9.370 -22.302 -23.533 453 2HG GLN 58 HG1 GLN 58 -9.319 -21.626 -21.904 454 1HE2 GLN 58 HE21 GLN 58 -11.123 -20.293 -21.684 455 2HE2 GLN 58 HE22 GLN 58 -11.636 -19.160 -22.839 456 H ILE 59 HN ILE 59 -5.173 -20.599 -21.359 457 HA ILE 59 HA ILE 59 -3.290 -19.909 -23.321 458 HB ILE 59 HB ILE 59 -2.773 -20.100 -20.332 459 1HG1 ILE 59 HG12 ILE 59 -4.769 -18.754 -20.751 460 2HG1 ILE 59 HG11 ILE 59 -3.458 -17.709 -20.258 461 1HG2 ILE 59 HG21 ILE 59 -1.432 -18.466 -22.515 462 2HG2 ILE 59 HG22 ILE 59 -0.697 -19.771 -21.585 463 3HG2 ILE 59 HG23 ILE 59 -1.131 -18.260 -20.790 464 1HD1 ILE 59 HD11 ILE 59 -4.739 -18.002 -22.973 465 2HD1 ILE 59 HD12 ILE 59 -3.100 -17.363 -22.850 466 3HD1 ILE 59 HD13 ILE 59 -4.430 -16.543 -22.043 467 H GLU 60 HN GLU 60 -3.095 -22.492 -20.860 468 HA GLU 60 HA GLU 60 -0.578 -23.469 -21.510 469 1HB GLU 60 HB2 GLU 60 -1.418 -25.689 -20.641 470 2HB GLU 60 HB1 GLU 60 -1.720 -24.327 -19.563 471 1HG GLU 60 HG2 GLU 60 -4.015 -24.149 -20.405 472 2HG GLU 60 HG1 GLU 60 -3.740 -25.493 -21.507 473 H SER 61 HN SER 61 -3.610 -23.873 -23.201 474 HA SER 61 HA SER 61 -2.551 -25.873 -25.040 475 1HB SER 61 HB2 SER 61 -5.234 -24.454 -25.077 476 2HB SER 61 HB1 SER 61 -4.785 -25.838 -26.071 477 HG SER 61 HG SER 61 -5.954 -26.388 -24.145 478 H MET 62 HN MET 62 -3.217 -22.407 -25.083 479 HA MET 62 HA MET 62 -3.112 -21.893 -27.848 480 1HB MET 62 HB2 MET 62 -2.178 -20.274 -25.456 481 2HB MET 62 HB1 MET 62 -2.046 -19.633 -27.090 482 1HG MET 62 HG2 MET 62 -4.669 -20.592 -25.902 483 2HG MET 62 HG1 MET 62 -4.134 -18.919 -25.851 484 1HE MET 62 HE1 MET 62 -6.710 -20.588 -27.336 485 2HE MET 62 HE2 MET 62 -5.599 -21.785 -28.000 486 3HE MET 62 HE3 MET 62 -6.518 -20.748 -29.089 487 H LEU 63 HN LEU 63 -0.387 -22.254 -25.596 488 HA LEU 63 HA LEU 63 1.607 -21.591 -27.478 489 1HB LEU 63 HB2 LEU 63 3.171 -22.560 -25.909 490 2HB LEU 63 HB1 LEU 63 1.936 -21.648 -25.052 491 HG LEU 63 HG LEU 63 0.796 -24.189 -25.066 492 1HD1 LEU 63 HD11 LEU 63 2.838 -25.216 -26.034 493 2HD1 LEU 63 HD12 LEU 63 2.495 -25.824 -24.420 494 3HD1 LEU 63 HD13 LEU 63 3.769 -24.628 -24.658 495 1HD2 LEU 63 HD21 LEU 63 1.440 -24.339 -22.699 496 2HD2 LEU 63 HD22 LEU 63 1.023 -22.674 -23.098 497 3HD2 LEU 63 HD23 LEU 63 2.714 -23.145 -22.951 498 H THR 64 HN THR 64 -0.138 -24.563 -26.832 499 HA THR 64 HA THR 64 1.576 -26.183 -28.590 500 HB THR 64 HB THR 64 -0.971 -26.939 -27.114 501 HG1 THR 64 HG1 THR 64 0.431 -27.660 -25.511 502 1HG2 THR 64 HG21 THR 64 -0.041 -29.227 -27.289 503 2HG2 THR 64 HG22 THR 64 1.317 -28.600 -28.223 504 3HG2 THR 64 HG23 THR 64 -0.318 -28.527 -28.883 505 H THR 65 HN THR 65 -1.931 -25.584 -28.363 506 HA THR 65 HA THR 65 -2.466 -26.456 -31.003 507 HB THR 65 HB THR 65 -4.109 -24.690 -29.155 508 HG1 THR 65 HG1 THR 65 -4.755 -27.329 -29.504 509 1HG2 THR 65 HG21 THR 65 -6.029 -25.632 -30.450 510 2HG2 THR 65 HG22 THR 65 -4.879 -26.345 -31.578 511 3HG2 THR 65 HG23 THR 65 -4.996 -24.591 -31.426 512 H GLY 66 HN GLY 66 -1.924 -23.207 -29.638 513 1HA GLY 66 HA2 GLY 66 -2.457 -21.859 -32.161 514 2HA GLY 66 HA1 GLY 66 -1.796 -21.132 -30.699 515 H GLU 67 HN GLU 67 -0.085 -23.865 -31.182 516 HA GLU 67 HA GLU 67 2.075 -24.295 -31.795 517 1HB GLU 67 HB2 GLU 67 0.966 -24.268 -34.023 518 2HB GLU 67 HB1 GLU 67 1.342 -22.555 -34.175 519 1HG GLU 67 HG2 GLU 67 3.760 -23.065 -34.059 520 2HG GLU 67 HG1 GLU 67 3.392 -24.776 -33.859 521 H LEU 68 HN LEU 68 3.359 -23.297 -30.252 522 HA LEU 68 HA LEU 68 3.834 -20.426 -30.276 523 1HB LEU 68 HB2 LEU 68 3.849 -21.916 -28.189 524 2HB LEU 68 HB1 LEU 68 5.381 -22.552 -28.733 525 HG LEU 68 HG LEU 68 6.074 -19.944 -28.847 526 1HD1 LEU 68 HD11 LEU 68 4.980 -18.595 -27.092 527 2HD1 LEU 68 HD12 LEU 68 3.852 -19.910 -26.768 528 3HD1 LEU 68 HD13 LEU 68 3.806 -19.070 -28.313 529 1HD2 LEU 68 HD21 LEU 68 5.813 -21.436 -26.208 530 2HD2 LEU 68 HD22 LEU 68 6.875 -20.056 -26.501 531 3HD2 LEU 68 HD23 LEU 68 7.152 -21.575 -27.348 532 H ASN 69 HN ASN 69 5.472 -19.367 -31.258 533 HA ASN 69 HA ASN 69 7.939 -20.678 -32.074 534 1HB ASN 69 HB2 ASN 69 6.291 -21.297 -33.867 535 2HB ASN 69 HB1 ASN 69 6.068 -19.582 -34.212 536 1HD2 ASN 69 HD21 ASN 69 7.106 -19.414 -36.249 537 2HD2 ASN 69 HD22 ASN 69 8.728 -19.837 -36.519 538 HA PRO 70 HA PRO 70 8.464 -16.135 -30.893 539 1HB PRO 70 HB2 PRO 70 11.257 -17.355 -31.008 540 2HB PRO 70 HB1 PRO 70 10.633 -16.100 -29.909 541 1HG PRO 70 HG2 PRO 70 10.778 -18.539 -28.987 542 2HG PRO 70 HG1 PRO 70 9.236 -17.670 -28.769 543 1HD PRO 70 HD2 PRO 70 9.910 -19.774 -30.855 544 2HD PRO 70 HD1 PRO 70 8.434 -19.624 -29.868 545 H ARG 71 HN ARG 71 7.842 -15.289 -32.931 546 HA ARG 71 HA ARG 71 9.965 -15.080 -35.027 547 1HB ARG 71 HB2 ARG 71 8.310 -16.814 -35.650 548 2HB ARG 71 HB1 ARG 71 7.024 -15.612 -35.553 549 1HG ARG 71 HG2 ARG 71 8.060 -14.288 -37.347 550 2HG ARG 71 HG1 ARG 71 9.457 -15.359 -37.377 551 1HD ARG 71 HD2 ARG 71 7.988 -17.231 -38.068 552 2HD ARG 71 HD1 ARG 71 6.613 -16.130 -38.078 553 HE ARG 71 HE ARG 71 7.372 -15.259 -40.099 554 1HH1 ARG 71 HH21 ARG 71 9.893 -17.074 -38.550 555 2HH1 ARG 71 HH22 ARG 71 10.995 -16.941 -39.879 556 1HH2 ARG 71 HH11 ARG 71 8.824 -15.088 -41.846 557 2HH2 ARG 71 HH12 ARG 71 10.391 -15.820 -41.740 558 H HIS 72 HN HIS 72 6.807 -13.925 -33.883 559 HA HIS 72 HA HIS 72 7.530 -11.122 -33.986 560 1HB HIS 72 HB2 HIS 72 7.164 -11.637 -36.425 561 2HB HIS 72 HB1 HIS 72 5.517 -12.126 -36.037 562 HD1 HIS 72 HD1 HIS 72 7.753 -9.065 -35.559 563 HD2 HIS 72 HD2 HIS 72 3.734 -10.006 -36.143 564 HE1 HIS 72 HE1 HIS 72 6.526 -6.861 -35.772 565 HE2 HIS 72 HE2 HIS 72 4.073 -7.417 -36.129 566 H ALA 73 HN ALA 73 5.955 -9.752 -33.174 567 HA ALA 73 HA ALA 73 4.334 -10.858 -31.117 568 1HB ALA 73 HB1 ALA 73 3.630 -8.541 -30.747 569 2HB ALA 73 HB2 ALA 73 4.271 -8.068 -32.322 570 3HB ALA 73 HB3 ALA 73 5.368 -8.591 -31.048 571 H GLN 74 HN GLN 74 2.116 -11.077 -30.955 572 HA GLN 74 HA GLN 74 0.366 -10.390 -33.219 573 1HB GLN 74 HB2 GLN 74 1.328 -12.641 -33.758 574 2HB GLN 74 HB1 GLN 74 0.664 -13.261 -32.249 575 1HG GLN 74 HG2 GLN 74 -1.623 -12.698 -33.019 576 2HG GLN 74 HG1 GLN 74 -0.961 -12.050 -34.517 577 1HE2 GLN 74 HE21 GLN 74 -1.612 -13.578 -36.071 578 2HE2 GLN 74 HE22 GLN 74 -1.310 -15.244 -35.952 579 H CYS 75 HN CYS 75 -0.986 -9.166 -32.029 580 HA CYS 75 HA CYS 75 -1.819 -9.838 -29.360 581 1HB CYS 75 HB2 CYS 75 -2.895 -7.763 -31.286 582 2HB CYS 75 HB1 CYS 75 -3.257 -7.850 -29.561 583 HG CYS 75 HG CYS 75 -0.786 -7.274 -29.032 584 H VAL 76 HN VAL 76 -3.583 -10.986 -28.739 585 HA VAL 76 HA VAL 76 -5.689 -11.619 -30.742 586 HB VAL 76 HB VAL 76 -4.516 -13.545 -28.694 587 1HG1 VAL 76 HG11 VAL 76 -6.616 -13.928 -30.863 588 2HG1 VAL 76 HG12 VAL 76 -6.896 -14.005 -29.124 589 3HG1 VAL 76 HG13 VAL 76 -5.911 -15.232 -29.910 590 1HG2 VAL 76 HG21 VAL 76 -4.243 -13.437 -31.722 591 2HG2 VAL 76 HG22 VAL 76 -3.618 -14.721 -30.688 592 3HG2 VAL 76 HG23 VAL 76 -2.962 -13.092 -30.559 593 H THR 77 HN THR 77 -7.781 -11.353 -29.965 594 HA THR 77 HA THR 77 -8.136 -10.670 -27.078 595 HB THR 77 HB THR 77 -10.069 -9.337 -27.833 596 HG1 THR 77 HG1 THR 77 -10.388 -10.658 -29.754 597 1HG2 THR 77 HG21 THR 77 -8.802 -7.563 -28.990 598 2HG2 THR 77 HG22 THR 77 -7.510 -8.710 -29.342 599 3HG2 THR 77 HG23 THR 77 -7.858 -8.257 -27.671 600 H LEU 78 HN LEU 78 -8.983 -12.400 -26.048 601 HA LEU 78 HA LEU 78 -10.863 -14.231 -27.423 602 1HB LEU 78 HB2 LEU 78 -9.564 -14.478 -24.681 603 2HB LEU 78 HB1 LEU 78 -10.439 -15.736 -25.551 604 HG LEU 78 HG LEU 78 -7.833 -14.452 -26.463 605 1HD1 LEU 78 HD11 LEU 78 -6.839 -16.653 -25.921 606 2HD1 LEU 78 HD12 LEU 78 -8.403 -17.212 -25.330 607 3HD1 LEU 78 HD13 LEU 78 -7.558 -15.911 -24.490 608 1HD2 LEU 78 HD21 LEU 78 -9.586 -16.621 -27.693 609 2HD2 LEU 78 HD22 LEU 78 -7.874 -16.476 -28.095 610 3HD2 LEU 78 HD23 LEU 78 -8.969 -15.156 -28.459 611 H TYR 79 HN TYR 79 -12.886 -14.794 -26.389 612 HA TYR 79 HA TYR 79 -13.862 -12.973 -24.278 613 1HB TYR 79 HB2 TYR 79 -15.929 -12.549 -25.588 614 2HB TYR 79 HB1 TYR 79 -14.498 -11.897 -26.383 615 HD1 TYR 79 HD1 TYR 79 -13.452 -13.112 -28.323 616 HD2 TYR 79 HD2 TYR 79 -17.186 -14.398 -26.610 617 HE1 TYR 79 HE1 TYR 79 -13.895 -14.509 -30.322 618 HE2 TYR 79 HE2 TYR 79 -17.620 -15.788 -28.616 619 HH TYR 79 HH TYR 79 -15.221 -16.492 -30.917 620 H HIS 80 HN HIS 80 -14.859 -14.147 -22.740 621 HA HIS 80 HA HIS 80 -16.572 -16.407 -23.414 622 1HB HIS 80 HB2 HIS 80 -14.053 -16.786 -21.750 623 2HB HIS 80 HB1 HIS 80 -15.336 -17.983 -21.919 624 HD1 HIS 80 HD1 HIS 80 -15.880 -18.552 -24.606 625 HD2 HIS 80 HD2 HIS 80 -12.083 -17.116 -23.656 626 HE1 HIS 80 HE1 HIS 80 -14.375 -19.169 -26.547 627 HE2 HIS 80 HE2 HIS 80 -12.057 -18.301 -25.984 628 H ASN 81 HN ASN 81 -18.151 -16.680 -21.840 629 HA ASN 81 HA ASN 81 -19.486 -16.127 -20.063 630 1HB ASN 81 HB2 ASN 81 -16.787 -16.031 -18.674 631 2HB ASN 81 HB1 ASN 81 -18.339 -16.083 -17.845 632 1HD2 ASN 81 HD21 ASN 81 -15.847 -18.045 -19.019 633 2HD2 ASN 81 HD22 ASN 81 -16.692 -19.515 -19.071 634 H GLY 82 HN GLY 82 -18.695 -13.982 -21.779 635 1HA GLY 82 HA2 GLY 82 -19.182 -11.727 -21.882 636 2HA GLY 82 HA1 GLY 82 -19.502 -11.732 -20.151 637 H PHE 83 HN PHE 83 -16.817 -12.940 -19.573 638 HA PHE 83 HA PHE 83 -15.297 -10.471 -19.405 639 1HB PHE 83 HB2 PHE 83 -14.544 -13.318 -18.659 640 2HB PHE 83 HB1 PHE 83 -13.670 -11.857 -18.202 641 HD1 PHE 83 HD1 PHE 83 -16.377 -14.080 -17.260 642 HD2 PHE 83 HD2 PHE 83 -14.959 -10.031 -16.893 643 HE1 PHE 83 HE1 PHE 83 -17.843 -13.740 -15.296 644 HE2 PHE 83 HE2 PHE 83 -16.430 -9.705 -14.929 645 HZ PHE 83 HZ PHE 83 -17.868 -11.556 -14.130 646 H THR 84 HN THR 84 -13.279 -10.063 -20.388 647 HA THR 84 HA THR 84 -12.457 -11.832 -22.640 648 HB THR 84 HB THR 84 -12.283 -9.974 -24.140 649 HG1 THR 84 HG1 THR 84 -13.010 -7.845 -23.037 650 1HG2 THR 84 HG21 THR 84 -14.654 -10.735 -23.712 651 2HG2 THR 84 HG22 THR 84 -14.538 -9.060 -24.249 652 3HG2 THR 84 HG23 THR 84 -14.813 -9.423 -22.548 653 H CYS 85 HN CYS 85 -10.370 -12.368 -22.391 654 HA CYS 85 HA CYS 85 -8.587 -10.631 -20.782 655 1HB CYS 85 HB2 CYS 85 -8.289 -13.556 -21.547 656 2HB CYS 85 HB1 CYS 85 -7.186 -12.644 -20.514 657 HG CYS 85 HG CYS 85 -9.504 -12.252 -19.008 658 H GLU 86 HN GLU 86 -6.568 -9.880 -21.785 659 HA GLU 86 HA GLU 86 -6.332 -10.384 -24.702 660 1HB GLU 86 HB2 GLU 86 -5.281 -8.112 -22.963 661 2HB GLU 86 HB1 GLU 86 -4.944 -8.289 -24.687 662 1HG GLU 86 HG2 GLU 86 -6.797 -6.741 -24.474 663 2HG GLU 86 HG1 GLU 86 -7.445 -8.245 -25.115 664 H ALA 87 HN ALA 87 -4.459 -11.285 -25.491 665 HA ALA 87 HA ALA 87 -2.149 -11.708 -23.667 666 1HB ALA 87 HB1 ALA 87 -1.993 -14.051 -24.413 667 2HB ALA 87 HB2 ALA 87 -3.473 -13.852 -25.354 668 3HB ALA 87 HB3 ALA 87 -3.526 -13.744 -23.596 669 H ASP 88 HN ASP 88 -0.122 -11.992 -24.750 670 HA ASP 88 HA ASP 88 0.038 -12.019 -27.619 671 1HB ASP 88 HB2 ASP 88 1.192 -9.772 -27.769 672 2HB ASP 88 HB1 ASP 88 -0.508 -9.663 -27.355 673 H THR 89 HN THR 89 2.206 -12.422 -28.339 674 HA THR 89 HA THR 89 4.020 -13.383 -26.226 675 HB THR 89 HB THR 89 5.293 -14.391 -28.125 676 HG1 THR 89 HG1 THR 89 4.558 -12.675 -29.596 677 1HG2 THR 89 HG21 THR 89 2.313 -14.930 -28.214 678 2HG2 THR 89 HG22 THR 89 3.460 -15.666 -27.093 679 3HG2 THR 89 HG23 THR 89 3.574 -16.005 -28.822 680 H LEU 90 HN LEU 90 3.637 -10.607 -28.235 681 HA LEU 90 HA LEU 90 4.916 -8.802 -28.673 682 1HB LEU 90 HB2 LEU 90 5.934 -9.703 -25.990 683 2HB LEU 90 HB1 LEU 90 6.961 -8.562 -26.843 684 HG LEU 90 HG LEU 90 5.001 -7.009 -27.055 685 1HD1 LEU 90 HD11 LEU 90 3.633 -9.056 -25.285 686 2HD1 LEU 90 HD12 LEU 90 3.191 -8.657 -26.943 687 3HD1 LEU 90 HD13 LEU 90 2.994 -7.458 -25.672 688 1HD2 LEU 90 HD21 LEU 90 5.619 -7.902 -24.215 689 2HD2 LEU 90 HD22 LEU 90 4.973 -6.327 -24.678 690 3HD2 LEU 90 HD23 LEU 90 6.601 -6.792 -25.171 691 H GLY 91 HN GLY 91 5.872 -11.787 -29.286 692 1HA GLY 91 HA2 GLY 91 7.358 -12.610 -30.852 693 2HA GLY 91 HA1 GLY 91 8.038 -10.994 -31.036 694 H SER 92 HN SER 92 7.758 -12.000 -27.810 695 HA SER 92 HA SER 92 10.626 -12.068 -27.437 696 1HB SER 92 HB2 SER 92 9.057 -11.053 -25.794 697 2HB SER 92 HB1 SER 92 8.420 -12.656 -25.442 698 HG SER 92 HG SER 92 10.459 -11.533 -24.324 699 H CYS 93 HN CYS 93 11.858 -13.784 -26.701 700 HA CYS 93 HA CYS 93 11.010 -16.458 -27.550 701 1HB CYS 93 HB2 CYS 93 13.689 -15.449 -26.548 702 2HB CYS 93 HB1 CYS 93 13.378 -17.009 -27.314 703 HG CYS 93 HG CYS 93 13.377 -14.263 -28.766 704 H GLY 94 HN GLY 94 9.942 -17.671 -26.071 705 1HA GLY 94 HA2 GLY 94 9.581 -18.907 -24.171 706 2HA GLY 94 HA1 GLY 94 11.197 -18.466 -23.636 707 H TYR 95 HN TYR 95 8.459 -16.310 -24.363 708 HA TYR 95 HA TYR 95 7.824 -15.836 -21.574 709 1HB TYR 95 HB2 TYR 95 9.123 -13.617 -23.193 710 2HB TYR 95 HB1 TYR 95 8.352 -13.414 -21.625 711 HD1 TYR 95 HD1 TYR 95 11.489 -14.147 -23.232 712 HD2 TYR 95 HD2 TYR 95 9.186 -14.965 -19.677 713 HE1 TYR 95 HE1 TYR 95 13.552 -14.814 -22.041 714 HE2 TYR 95 HE2 TYR 95 11.264 -15.622 -18.500 715 HH TYR 95 HH TYR 95 13.571 -15.448 -18.601 716 H VAL 96 HN VAL 96 5.787 -15.057 -21.384 717 HA VAL 96 HA VAL 96 4.372 -13.927 -23.747 718 HB VAL 96 HB VAL 96 3.213 -16.115 -21.963 719 1HG1 VAL 96 HG11 VAL 96 2.319 -14.965 -24.637 720 2HG1 VAL 96 HG12 VAL 96 1.589 -14.590 -23.079 721 3HG1 VAL 96 HG13 VAL 96 1.494 -16.227 -23.722 722 1HG2 VAL 96 HG21 VAL 96 5.064 -17.090 -23.242 723 2HG2 VAL 96 HG22 VAL 96 4.477 -16.338 -24.726 724 3HG2 VAL 96 HG23 VAL 96 3.538 -17.613 -23.949 725 H TYR 97 HN TYR 97 3.776 -11.927 -23.013 726 HA TYR 97 HA TYR 97 3.191 -11.486 -20.162 727 1HB TYR 97 HB2 TYR 97 3.138 -9.494 -22.468 728 2HB TYR 97 HB1 TYR 97 3.152 -9.132 -20.744 729 HD1 TYR 97 HD1 TYR 97 5.204 -9.443 -19.392 730 HD2 TYR 97 HD2 TYR 97 5.157 -10.403 -23.588 731 HE1 TYR 97 HE1 TYR 97 7.680 -9.619 -19.389 732 HE2 TYR 97 HE2 TYR 97 7.627 -10.568 -23.573 733 HH TYR 97 HH TYR 97 9.425 -11.006 -21.944 734 H ILE 98 HN ILE 98 1.092 -11.530 -19.393 735 HA ILE 98 HA ILE 98 -1.137 -11.058 -21.303 736 HB ILE 98 HB ILE 98 -2.454 -12.842 -20.203 737 1HG1 ILE 98 HG12 ILE 98 0.130 -13.546 -18.732 738 2HG1 ILE 98 HG11 ILE 98 -1.246 -12.764 -17.968 739 1HG2 ILE 98 HG21 ILE 98 -1.077 -13.344 -22.226 740 2HG2 ILE 98 HG22 ILE 98 -1.260 -14.750 -21.190 741 3HG2 ILE 98 HG23 ILE 98 0.248 -13.838 -21.176 742 1HD1 ILE 98 HD11 ILE 98 -1.395 -15.128 -17.504 743 2HD1 ILE 98 HD12 ILE 98 -1.195 -15.526 -19.208 744 3HD1 ILE 98 HD13 ILE 98 -2.669 -14.732 -18.654 745 H ALA 99 HN ALA 99 -3.114 -10.331 -20.345 746 HA ALA 99 HA ALA 99 -3.073 -9.365 -17.579 747 1HB ALA 99 HB1 ALA 99 -3.492 -7.030 -18.214 748 2HB ALA 99 HB2 ALA 99 -3.314 -7.442 -19.921 749 3HB ALA 99 HB3 ALA 99 -1.928 -7.550 -18.839 750 H VAL 100 HN VAL 100 -5.031 -8.915 -16.774 751 HA VAL 100 HA VAL 100 -7.445 -9.551 -18.423 752 HB VAL 100 HB VAL 100 -6.773 -11.384 -16.881 753 1HG1 VAL 100 HG11 VAL 100 -7.403 -9.453 -14.613 754 2HG1 VAL 100 HG12 VAL 100 -5.767 -9.900 -15.098 755 3HG1 VAL 100 HG13 VAL 100 -6.871 -11.127 -14.474 756 1HG2 VAL 100 HG21 VAL 100 -9.150 -11.024 -17.480 757 2HG2 VAL 100 HG22 VAL 100 -9.342 -9.966 -16.083 758 3HG2 VAL 100 HG23 VAL 100 -8.989 -11.677 -15.852 759 H TYR 101 HN TYR 101 -9.023 -8.121 -18.359 760 HA TYR 101 HA TYR 101 -9.165 -6.055 -16.220 761 1HB TYR 101 HB2 TYR 101 -8.031 -5.124 -18.239 762 2HB TYR 101 HB1 TYR 101 -9.446 -5.533 -19.207 763 HD1 TYR 101 HD1 TYR 101 -8.363 -3.631 -16.159 764 HD2 TYR 101 HD2 TYR 101 -11.336 -3.992 -19.258 765 HE1 TYR 101 HE1 TYR 101 -9.440 -1.543 -15.380 766 HE2 TYR 101 HE2 TYR 101 -12.397 -1.894 -18.469 767 HH TYR 101 HH TYR 101 -12.129 -0.084 -17.149 768 HA PRO 102 HA PRO 102 -13.230 -8.281 -16.824 769 1HB PRO 102 HB2 PRO 102 -13.692 -6.871 -14.178 770 2HB PRO 102 HB1 PRO 102 -14.119 -8.537 -14.644 771 1HG PRO 102 HG2 PRO 102 -12.015 -8.129 -13.085 772 2HG PRO 102 HG1 PRO 102 -11.894 -9.290 -14.430 773 1HD PRO 102 HD2 PRO 102 -10.841 -6.443 -14.315 774 2HD PRO 102 HD1 PRO 102 -10.049 -7.905 -14.957 775 H THR 103 HN THR 103 -15.106 -7.460 -17.710 776 HA THR 103 HA THR 103 -15.171 -4.710 -18.500 777 HB THR 103 HB THR 103 -17.342 -5.287 -19.496 778 HG1 THR 103 HG1 THR 103 -17.275 -7.145 -17.549 779 1HG2 THR 103 HG21 THR 103 -16.592 -7.142 -20.934 780 2HG2 THR 103 HG22 THR 103 -15.307 -7.518 -19.788 781 3HG2 THR 103 HG23 THR 103 -15.283 -5.989 -20.668 782 H GLN 104 HN GLN 104 -16.143 -3.002 -17.521 783 HA GLN 104 HA GLN 104 -17.176 -3.275 -14.836 784 1HB GLN 104 HB2 GLN 104 -17.032 -0.890 -16.712 785 2HB GLN 104 HB1 GLN 104 -17.497 -0.804 -15.012 786 1HG GLN 104 HG2 GLN 104 -15.303 -1.728 -14.356 787 2HG GLN 104 HG1 GLN 104 -14.830 -1.824 -16.052 788 1HE2 GLN 104 HE21 GLN 104 -14.629 0.154 -13.325 789 2HE2 GLN 104 HE22 GLN 104 -14.292 1.625 -14.104 790 H ARG 105 HN ARG 105 -18.619 -1.915 -17.820 791 HA ARG 105 HA ARG 105 -21.264 -1.832 -16.815 792 1HB ARG 105 HB2 ARG 105 -20.264 -0.573 -18.831 793 2HB ARG 105 HB1 ARG 105 -20.497 -2.051 -19.752 794 1HG ARG 105 HG2 ARG 105 -22.542 -0.970 -20.226 795 2HG ARG 105 HG1 ARG 105 -23.022 -1.868 -18.789 796 1HD ARG 105 HD2 ARG 105 -23.798 0.418 -18.530 797 2HD ARG 105 HD1 ARG 105 -22.445 0.200 -17.428 798 HE ARG 105 HE ARG 105 -21.245 1.755 -18.658 799 1HH1 ARG 105 HH21 ARG 105 -23.941 0.596 -20.511 800 2HH1 ARG 105 HH22 ARG 105 -23.684 1.694 -21.825 801 1HH2 ARG 105 HH11 ARG 105 -20.913 3.198 -20.383 802 2HH2 ARG 105 HH12 ARG 105 -21.974 3.162 -21.753 Start of MODEL 2 1 1H MET 1 HT1 MET 1 11.900 1.463 -7.109 2 2H MET 1 HT2 MET 1 12.419 0.481 -5.824 3 3H MET 1 HT3 MET 1 13.220 1.943 -6.158 4 HA MET 1 HA MET 1 10.668 1.475 -4.807 5 1HB MET 1 HB2 MET 1 12.935 3.484 -4.524 6 2HB MET 1 HB1 MET 1 11.525 3.417 -3.469 7 1HG MET 1 HG2 MET 1 12.124 1.104 -2.816 8 2HG MET 1 HG1 MET 1 13.532 1.176 -3.872 9 1HE MET 1 HE1 MET 1 12.938 3.179 0.209 10 2HE MET 1 HE2 MET 1 12.235 1.670 -0.365 11 3HE MET 1 HE3 MET 1 11.696 3.201 -1.047 12 H SER 2 HN SER 2 12.052 3.304 -7.404 13 HA SER 2 HA SER 2 10.390 5.587 -7.395 14 1HB SER 2 HB2 SER 2 11.014 5.766 -9.791 15 2HB SER 2 HB1 SER 2 12.411 5.434 -8.772 16 HG SER 2 HG SER 2 12.561 3.475 -9.595 17 H ASN 3 HN ASN 3 9.978 2.366 -8.793 18 HA ASN 3 HA ASN 3 7.113 2.551 -8.762 19 1HB ASN 3 HB2 ASN 3 7.604 3.893 -10.800 20 2HB ASN 3 HB1 ASN 3 8.477 2.523 -11.482 21 1HD2 ASN 3 HD21 ASN 3 7.166 1.553 -13.036 22 2HD2 ASN 3 HD22 ASN 3 5.499 1.278 -12.870 23 H THR 4 HN THR 4 6.632 0.551 -8.082 24 HA THR 4 HA THR 4 8.150 -1.805 -9.116 25 HB THR 4 HB THR 4 6.712 -1.496 -6.451 26 HG1 THR 4 HG1 THR 4 8.494 -0.208 -6.442 27 1HG2 THR 4 HG21 THR 4 8.577 -3.639 -7.537 28 2HG2 THR 4 HG22 THR 4 6.860 -3.839 -7.187 29 3HG2 THR 4 HG23 THR 4 8.001 -3.553 -5.874 30 H THR 5 HN THR 5 6.631 -2.040 -10.917 31 HA THR 5 HA THR 5 3.974 -3.147 -10.126 32 HB THR 5 HB THR 5 3.020 -2.195 -12.176 33 HG1 THR 5 HG1 THR 5 4.961 -2.189 -13.391 34 1HG2 THR 5 HG21 THR 5 4.531 -0.119 -10.559 35 2HG2 THR 5 HG22 THR 5 2.977 -0.826 -10.116 36 3HG2 THR 5 HG23 THR 5 3.108 0.187 -11.554 37 H TRP 6 HN TRP 6 3.760 -5.206 -10.712 38 HA TRP 6 HA TRP 6 5.646 -6.469 -12.593 39 1HB TRP 6 HB2 TRP 6 3.469 -7.626 -10.818 40 2HB TRP 6 HB1 TRP 6 4.624 -8.565 -11.763 41 HD1 TRP 6 HD1 TRP 6 4.525 -6.047 -8.849 42 HE1 TRP 6 HE1 TRP 6 6.615 -6.419 -7.385 43 HE3 TRP 6 HE3 TRP 6 6.952 -9.560 -11.651 44 HZ2 TRP 6 HZ2 TRP 6 8.999 -7.998 -7.402 45 HZ3 TRP 6 HZ3 TRP 6 9.127 -10.480 -10.904 46 HH2 TRP 6 HH2 TRP 6 10.154 -9.705 -8.785 47 H GLY 7 HN GLY 7 3.955 -4.670 -13.867 48 1HA GLY 7 HA2 GLY 7 2.480 -6.459 -15.692 49 2HA GLY 7 HA1 GLY 7 1.580 -5.154 -14.918 50 H LEU 8 HN LEU 8 2.056 -5.498 -17.726 51 HA LEU 8 HA LEU 8 4.114 -3.754 -18.654 52 1HB LEU 8 HB2 LEU 8 2.692 -5.639 -19.910 53 2HB LEU 8 HB1 LEU 8 1.611 -4.307 -20.270 54 HG LEU 8 HG LEU 8 3.832 -3.078 -21.111 55 1HD1 LEU 8 HD11 LEU 8 5.419 -4.824 -20.326 56 2HD1 LEU 8 HD12 LEU 8 5.494 -4.642 -22.074 57 3HD1 LEU 8 HD13 LEU 8 4.630 -6.006 -21.367 58 1HD2 LEU 8 HD21 LEU 8 1.962 -3.690 -22.605 59 2HD2 LEU 8 HD22 LEU 8 2.558 -5.347 -22.694 60 3HD2 LEU 8 HD23 LEU 8 3.503 -4.029 -23.389 61 H GLN 9 HN GLN 9 3.749 -1.669 -19.726 62 HA GLN 9 HA GLN 9 1.922 0.066 -18.177 63 1HB GLN 9 HB2 GLN 9 4.314 0.698 -18.425 64 2HB GLN 9 HB1 GLN 9 4.104 0.789 -20.171 65 1HG GLN 9 HG2 GLN 9 2.458 2.596 -19.920 66 2HG GLN 9 HG1 GLN 9 2.520 2.448 -18.167 67 1HE2 GLN 9 HE21 GLN 9 3.327 4.593 -17.809 68 2HE2 GLN 9 HE22 GLN 9 4.884 5.070 -18.291 69 H ARG 10 HN ARG 10 0.075 0.978 -19.127 70 HA ARG 10 HA ARG 10 -0.051 1.253 -21.981 71 1HB ARG 10 HB2 ARG 10 -2.375 -0.031 -22.046 72 2HB ARG 10 HB1 ARG 10 -0.902 -1.004 -21.989 73 1HG ARG 10 HG2 ARG 10 -1.109 -1.245 -19.552 74 2HG ARG 10 HG1 ARG 10 -2.536 -0.215 -19.544 75 1HD ARG 10 HD2 ARG 10 -3.875 -1.885 -20.595 76 2HD ARG 10 HD1 ARG 10 -2.472 -2.762 -21.208 77 HE ARG 10 HE ARG 10 -3.668 -3.060 -18.600 78 1HH1 ARG 10 HH21 ARG 10 -0.709 -3.218 -20.394 79 2HH1 ARG 10 HH22 ARG 10 0.065 -4.300 -19.288 80 1HH2 ARG 10 HH11 ARG 10 -2.599 -4.505 -17.130 81 2HH2 ARG 10 HH12 ARG 10 -0.986 -5.017 -17.470 82 H ASP 11 HN ASP 11 -2.755 1.826 -22.320 83 HA ASP 11 HA ASP 11 -2.947 4.493 -21.570 84 1HB ASP 11 HB2 ASP 11 -4.317 3.431 -23.318 85 2HB ASP 11 HB1 ASP 11 -5.224 2.562 -22.085 86 H ILE 12 HN ILE 12 -4.670 1.739 -19.971 87 HA ILE 12 HA ILE 12 -5.442 3.471 -17.740 88 HB ILE 12 HB ILE 12 -5.775 0.474 -18.187 89 1HG1 ILE 12 HG12 ILE 12 -7.856 2.704 -18.391 90 2HG1 ILE 12 HG11 ILE 12 -7.005 2.060 -19.788 91 1HG2 ILE 12 HG21 ILE 12 -5.828 0.979 -15.792 92 2HG2 ILE 12 HG22 ILE 12 -7.472 0.681 -16.335 93 3HG2 ILE 12 HG23 ILE 12 -6.922 2.334 -16.063 94 1HD1 ILE 12 HD11 ILE 12 -8.083 -0.006 -19.676 95 2HD1 ILE 12 HD12 ILE 12 -9.357 1.095 -19.170 96 3HD1 ILE 12 HD13 ILE 12 -8.487 0.154 -17.964 97 H THR 13 HN THR 13 -4.253 3.741 -15.931 98 HA THR 13 HA THR 13 -1.659 2.437 -15.696 99 HB THR 13 HB THR 13 -2.067 4.059 -13.385 100 HG1 THR 13 HG1 THR 13 -3.025 5.484 -15.597 101 1HG2 THR 13 HG21 THR 13 -0.913 4.857 -16.079 102 2HG2 THR 13 HG22 THR 13 -0.028 4.055 -14.783 103 3HG2 THR 13 HG23 THR 13 -0.637 5.696 -14.553 104 HA PRO 14 HA PRO 14 -3.353 0.672 -11.707 105 1HB PRO 14 HB2 PRO 14 -5.972 0.902 -10.874 106 2HB PRO 14 HB1 PRO 14 -4.795 2.218 -10.629 107 1HG PRO 14 HG2 PRO 14 -6.770 1.885 -12.890 108 2HG PRO 14 HG1 PRO 14 -6.510 3.305 -11.850 109 1HD PRO 14 HD2 PRO 14 -5.331 3.140 -14.313 110 2HD PRO 14 HD1 PRO 14 -4.473 3.899 -12.950 111 H ARG 15 HN ARG 15 -3.669 -1.576 -11.786 112 HA ARG 15 HA ARG 15 -5.900 -2.879 -12.786 113 1HB ARG 15 HB2 ARG 15 -5.160 -2.136 -15.040 114 2HB ARG 15 HB1 ARG 15 -3.566 -2.821 -14.764 115 1HG ARG 15 HG2 ARG 15 -4.420 -5.076 -14.841 116 2HG ARG 15 HG1 ARG 15 -6.093 -4.526 -14.715 117 1HD ARG 15 HD2 ARG 15 -4.252 -3.929 -17.053 118 2HD ARG 15 HD1 ARG 15 -5.425 -5.241 -17.035 119 HE ARG 15 HE ARG 15 -6.798 -2.888 -16.407 120 1HH1 ARG 15 HH21 ARG 15 -4.990 -4.252 -19.048 121 2HH1 ARG 15 HH22 ARG 15 -5.877 -3.398 -20.267 122 1HH2 ARG 15 HH11 ARG 15 -7.945 -1.777 -18.013 123 2HH2 ARG 15 HH12 ARG 15 -7.541 -2.003 -19.682 124 H LEU 16 HN LEU 16 -5.277 -5.315 -13.162 125 HA LEU 16 HA LEU 16 -3.344 -6.078 -11.020 126 1HB LEU 16 HB2 LEU 16 -5.657 -6.821 -10.647 127 2HB LEU 16 HB1 LEU 16 -5.692 -7.602 -12.220 128 HG LEU 16 HG LEU 16 -3.422 -8.498 -10.446 129 1HD1 LEU 16 HD11 LEU 16 -4.819 -9.980 -9.059 130 2HD1 LEU 16 HD12 LEU 16 -6.277 -9.261 -9.745 131 3HD1 LEU 16 HD13 LEU 16 -5.199 -8.287 -8.747 132 1HD2 LEU 16 HD21 LEU 16 -4.020 -10.704 -11.320 133 2HD2 LEU 16 HD22 LEU 16 -3.994 -9.563 -12.662 134 3HD2 LEU 16 HD23 LEU 16 -5.532 -10.080 -11.978 135 H GLY 17 HN GLY 17 -1.509 -6.838 -11.617 136 1HA GLY 17 HA2 GLY 17 -1.006 -7.735 -14.398 137 2HA GLY 17 HA1 GLY 17 0.201 -7.221 -13.222 138 H ALA 18 HN ALA 18 0.557 -9.539 -14.623 139 HA ALA 18 HA ALA 18 0.943 -11.455 -12.532 140 1HB ALA 18 HB1 ALA 18 -0.515 -13.223 -13.484 141 2HB ALA 18 HB2 ALA 18 -1.171 -12.053 -14.629 142 3HB ALA 18 HB3 ALA 18 -1.458 -11.852 -12.900 143 H ARG 19 HN ARG 19 3.107 -11.195 -13.429 144 HA ARG 19 HA ARG 19 3.510 -11.993 -16.203 145 1HB ARG 19 HB2 ARG 19 4.880 -10.149 -15.248 146 2HB ARG 19 HB1 ARG 19 5.517 -11.242 -14.027 147 1HG ARG 19 HG2 ARG 19 6.585 -12.606 -15.827 148 2HG ARG 19 HG1 ARG 19 5.957 -11.485 -17.027 149 1HD ARG 19 HD2 ARG 19 7.221 -9.640 -15.930 150 2HD ARG 19 HD1 ARG 19 7.900 -10.808 -14.795 151 HE ARG 19 HE ARG 19 8.724 -10.376 -17.523 152 1HH1 ARG 19 HH21 ARG 19 8.419 -12.757 -15.010 153 2HH1 ARG 19 HH22 ARG 19 9.657 -13.785 -15.652 154 1HH2 ARG 19 HH11 ARG 19 10.344 -11.725 -18.354 155 2HH2 ARG 19 HH12 ARG 19 10.745 -13.201 -17.539 156 H LEU 20 HN LEU 20 3.561 -14.036 -16.764 157 HA LEU 20 HA LEU 20 4.147 -16.171 -14.835 158 1HB LEU 20 HB2 LEU 20 3.061 -16.081 -17.665 159 2HB LEU 20 HB1 LEU 20 3.554 -17.608 -16.946 160 HG LEU 20 HG LEU 20 1.101 -17.174 -16.744 161 1HD1 LEU 20 HD11 LEU 20 2.511 -18.496 -14.965 162 2HD1 LEU 20 HD12 LEU 20 0.849 -18.047 -14.604 163 3HD1 LEU 20 HD13 LEU 20 2.172 -17.114 -13.919 164 1HD2 LEU 20 HD21 LEU 20 1.374 -14.655 -16.483 165 2HD2 LEU 20 HD22 LEU 20 1.817 -14.951 -14.803 166 3HD2 LEU 20 HD23 LEU 20 0.217 -15.407 -15.386 167 H VAL 21 HN VAL 21 5.813 -17.630 -15.061 168 HA VAL 21 HA VAL 21 8.072 -16.813 -16.809 169 HB VAL 21 HB VAL 21 9.447 -18.207 -15.162 170 1HG1 VAL 21 HG11 VAL 21 7.854 -15.913 -13.966 171 2HG1 VAL 21 HG12 VAL 21 9.298 -15.742 -14.963 172 3HG1 VAL 21 HG13 VAL 21 9.411 -16.503 -13.376 173 1HG2 VAL 21 HG21 VAL 21 8.415 -18.758 -12.992 174 2HG2 VAL 21 HG22 VAL 21 7.605 -19.606 -14.303 175 3HG2 VAL 21 HG23 VAL 21 6.853 -18.187 -13.578 176 H GLN 22 HN GLN 22 8.882 -18.216 -18.256 177 HA GLN 22 HA GLN 22 7.267 -20.508 -19.009 178 1HB GLN 22 HB2 GLN 22 8.246 -18.958 -20.685 179 2HB GLN 22 HB1 GLN 22 9.864 -19.456 -20.188 180 1HG GLN 22 HG2 GLN 22 9.367 -21.784 -20.862 181 2HG GLN 22 HG1 GLN 22 7.733 -21.307 -21.314 182 1HE2 GLN 22 HE21 GLN 22 7.800 -21.520 -23.581 183 2HE2 GLN 22 HE22 GLN 22 8.927 -20.727 -24.573 184 H GLU 23 HN GLU 23 7.682 -22.583 -18.553 185 HA GLU 23 HA GLU 23 10.273 -23.683 -18.040 186 1HB GLU 23 HB2 GLU 23 9.909 -22.459 -15.890 187 2HB GLU 23 HB1 GLU 23 8.444 -23.396 -15.626 188 1HG GLU 23 HG2 GLU 23 9.765 -25.483 -15.601 189 2HG GLU 23 HG1 GLU 23 11.234 -24.563 -15.918 190 H GLY 24 HN GLY 24 9.964 -25.576 -19.083 191 1HA GLY 24 HA2 GLY 24 9.121 -27.664 -19.581 192 2HA GLY 24 HA1 GLY 24 8.051 -27.518 -18.186 193 H ASN 25 HN ASN 25 6.436 -28.522 -19.670 194 HA ASN 25 HA ASN 25 5.444 -26.815 -21.834 195 1HB ASN 25 HB2 ASN 25 4.481 -29.506 -20.799 196 2HB ASN 25 HB1 ASN 25 3.874 -28.694 -22.241 197 1HD2 ASN 25 HD21 ASN 25 5.995 -27.895 -23.664 198 2HD2 ASN 25 HD22 ASN 25 7.085 -29.160 -23.971 199 H GLN 26 HN GLN 26 5.244 -26.423 -18.713 200 HA GLN 26 HA GLN 26 2.380 -25.578 -18.673 201 1HB GLN 26 HB2 GLN 26 3.955 -26.871 -16.415 202 2HB GLN 26 HB1 GLN 26 2.320 -26.221 -16.277 203 1HG GLN 26 HG2 GLN 26 1.534 -27.835 -17.977 204 2HG GLN 26 HG1 GLN 26 3.166 -28.488 -18.112 205 1HE2 GLN 26 HE21 GLN 26 3.965 -29.822 -16.356 206 2HE2 GLN 26 HE22 GLN 26 2.939 -30.391 -15.129 207 H LEU 27 HN LEU 27 1.959 -23.691 -17.545 208 HA LEU 27 HA LEU 27 4.281 -21.903 -17.066 209 1HB LEU 27 HB2 LEU 27 1.311 -21.239 -17.207 210 2HB LEU 27 HB1 LEU 27 2.655 -20.096 -17.236 211 HG LEU 27 HG LEU 27 2.046 -22.182 -19.368 212 1HD1 LEU 27 HD11 LEU 27 1.458 -20.232 -20.767 213 2HD1 LEU 27 HD12 LEU 27 1.756 -19.159 -19.401 214 3HD1 LEU 27 HD13 LEU 27 0.431 -20.323 -19.337 215 1HD2 LEU 27 HD21 LEU 27 4.291 -20.139 -19.110 216 2HD2 LEU 27 HD22 LEU 27 3.805 -20.787 -20.677 217 3HD2 LEU 27 HD23 LEU 27 4.417 -21.868 -19.438 218 H HIS 28 HN HIS 28 4.945 -21.574 -15.062 219 HA HIS 28 HA HIS 28 3.474 -22.523 -12.732 220 1HB HIS 28 HB2 HIS 28 6.184 -21.252 -13.209 221 2HB HIS 28 HB1 HIS 28 5.617 -21.636 -11.592 222 HD1 HIS 28 HD1 HIS 28 6.703 -23.234 -14.821 223 HD2 HIS 28 HD2 HIS 28 5.590 -24.417 -10.981 224 HE1 HIS 28 HE1 HIS 28 7.281 -25.692 -14.634 225 HE2 HIS 28 HE2 HIS 28 6.608 -26.429 -12.299 226 H TYR 29 HN TYR 29 2.001 -21.281 -11.715 227 HA TYR 29 HA TYR 29 2.196 -18.312 -11.824 228 1HB TYR 29 HB2 TYR 29 0.061 -19.270 -12.628 229 2HB TYR 29 HB1 TYR 29 -0.137 -20.127 -11.103 230 HD1 TYR 29 HD1 TYR 29 -0.096 -16.765 -12.703 231 HD2 TYR 29 HD2 TYR 29 -0.830 -18.942 -9.063 232 HE1 TYR 29 HE1 TYR 29 -1.134 -14.751 -11.692 233 HE2 TYR 29 HE2 TYR 29 -1.867 -16.924 -8.071 234 HH TYR 29 HH TYR 29 -1.866 -14.536 -8.344 235 H LEU 30 HN LEU 30 3.301 -17.536 -10.180 236 HA LEU 30 HA LEU 30 3.268 -18.818 -7.515 237 1HB LEU 30 HB2 LEU 30 4.962 -16.547 -8.608 238 2HB LEU 30 HB1 LEU 30 5.158 -17.346 -7.054 239 HG LEU 30 HG LEU 30 5.295 -19.556 -8.704 240 1HD1 LEU 30 HD11 LEU 30 6.619 -19.031 -10.703 241 2HD1 LEU 30 HD12 LEU 30 6.542 -17.309 -10.336 242 3HD1 LEU 30 HD13 LEU 30 5.078 -18.183 -10.777 243 1HD2 LEU 30 HD21 LEU 30 7.766 -19.407 -8.539 244 2HD2 LEU 30 HD22 LEU 30 6.999 -18.951 -7.018 245 3HD2 LEU 30 HD23 LEU 30 7.634 -17.704 -8.091 246 H ALA 31 HN ALA 31 1.711 -18.090 -6.172 247 HA ALA 31 HA ALA 31 0.163 -15.777 -6.473 248 1HB ALA 31 HB1 ALA 31 -0.492 -17.709 -5.104 249 2HB ALA 31 HB2 ALA 31 -0.566 -16.217 -4.166 250 3HB ALA 31 HB3 ALA 31 0.785 -17.333 -3.949 251 H ASP 32 HN ASP 32 3.182 -16.338 -4.757 252 HA ASP 32 HA ASP 32 3.273 -13.931 -3.250 253 1HB ASP 32 HB2 ASP 32 5.502 -15.733 -4.245 254 2HB ASP 32 HB1 ASP 32 5.699 -14.471 -3.030 255 H ARG 33 HN ARG 33 3.537 -14.440 -6.594 256 HA ARG 33 HA ARG 33 5.081 -11.918 -7.040 257 1HB ARG 33 HB2 ARG 33 4.601 -14.178 -9.007 258 2HB ARG 33 HB1 ARG 33 5.662 -12.790 -9.225 259 1HG ARG 33 HG2 ARG 33 6.036 -14.944 -7.107 260 2HG ARG 33 HG1 ARG 33 6.916 -14.862 -8.628 261 1HD ARG 33 HD2 ARG 33 7.743 -12.562 -7.919 262 2HD ARG 33 HD1 ARG 33 7.048 -12.882 -6.329 263 HE ARG 33 HE ARG 33 8.763 -15.019 -7.166 264 1HH1 ARG 33 HH21 ARG 33 8.718 -11.799 -5.856 265 2HH1 ARG 33 HH22 ARG 33 10.242 -11.963 -5.050 266 1HH2 ARG 33 HH11 ARG 33 10.757 -15.228 -6.097 267 2HH2 ARG 33 HH12 ARG 33 11.393 -13.899 -5.185 268 H ALA 34 HN ALA 34 2.657 -11.336 -6.303 269 HA ALA 34 HA ALA 34 1.561 -10.005 -8.542 270 1HB ALA 34 HB1 ALA 34 -0.668 -11.093 -8.611 271 2HB ALA 34 HB2 ALA 34 -0.120 -12.289 -7.437 272 3HB ALA 34 HB3 ALA 34 0.599 -12.240 -9.047 273 H SER 35 HN SER 35 -0.731 -9.070 -7.829 274 HA SER 35 HA SER 35 -0.844 -8.517 -4.931 275 1HB SER 35 HB2 SER 35 -0.763 -6.102 -5.292 276 2HB SER 35 HB1 SER 35 0.722 -6.855 -5.867 277 HG SER 35 HG SER 35 0.255 -6.180 -7.794 278 H ILE 36 HN ILE 36 -2.881 -7.385 -4.373 279 HA ILE 36 HA ILE 36 -5.074 -7.961 -6.295 280 HB ILE 36 HB ILE 36 -6.552 -7.610 -4.263 281 1HG1 ILE 36 HG12 ILE 36 -3.907 -7.633 -2.731 282 2HG1 ILE 36 HG11 ILE 36 -4.855 -6.178 -3.008 283 1HG2 ILE 36 HG21 ILE 36 -5.984 -9.772 -3.228 284 2HG2 ILE 36 HG22 ILE 36 -4.390 -9.723 -3.978 285 3HG2 ILE 36 HG23 ILE 36 -5.832 -9.864 -4.980 286 1HD1 ILE 36 HD11 ILE 36 -6.788 -7.237 -1.846 287 2HD1 ILE 36 HD12 ILE 36 -5.375 -7.061 -0.804 288 3HD1 ILE 36 HD13 ILE 36 -5.772 -8.635 -1.490 289 H THR 37 HN THR 37 -6.502 -6.416 -6.940 290 HA THR 37 HA THR 37 -6.002 -3.573 -6.213 291 HB THR 37 HB THR 37 -6.222 -2.967 -8.571 292 HG1 THR 37 HG1 THR 37 -7.399 -4.461 -9.538 293 1HG2 THR 37 HG21 THR 37 -4.107 -3.898 -9.365 294 2HG2 THR 37 HG22 THR 37 -4.195 -5.195 -8.186 295 3HG2 THR 37 HG23 THR 37 -3.967 -3.527 -7.654 296 H GLY 38 HN GLY 38 -7.843 -2.225 -6.322 297 1HA GLY 38 HA2 GLY 38 -10.069 -1.685 -6.312 298 2HA GLY 38 HA1 GLY 38 -10.375 -3.106 -7.307 299 H LYS 39 HN LYS 39 -11.891 -4.297 -6.333 300 HA LYS 39 HA LYS 39 -11.483 -5.524 -3.770 301 1HB LYS 39 HB2 LYS 39 -13.479 -4.504 -2.656 302 2HB LYS 39 HB1 LYS 39 -12.166 -3.354 -2.908 303 1HG LYS 39 HG2 LYS 39 -13.327 -2.548 -4.987 304 2HG LYS 39 HG1 LYS 39 -14.674 -3.619 -4.611 305 1HD LYS 39 HD2 LYS 39 -15.040 -2.451 -2.479 306 2HD LYS 39 HD1 LYS 39 -13.667 -1.395 -2.809 307 1HE LYS 39 HE2 LYS 39 -15.811 -0.295 -3.395 308 2HE LYS 39 HE1 LYS 39 -14.798 -0.530 -4.821 309 1HZ LYS 39 HZ1 LYS 39 -16.495 -2.772 -4.273 310 2HZ LYS 39 HZ2 LYS 39 -16.274 -1.907 -5.719 311 3HZ LYS 39 HZ3 LYS 39 -17.375 -1.349 -4.550 312 H PHE 40 HN PHE 40 -12.389 -7.443 -3.844 313 HA PHE 40 HA PHE 40 -14.666 -8.021 -5.700 314 1HB PHE 40 HB2 PHE 40 -12.513 -9.917 -4.679 315 2HB PHE 40 HB1 PHE 40 -13.720 -10.241 -5.923 316 HD1 PHE 40 HD1 PHE 40 -13.620 -8.983 -8.126 317 HD2 PHE 40 HD2 PHE 40 -10.463 -8.720 -5.212 318 HE1 PHE 40 HE1 PHE 40 -12.099 -8.049 -9.846 319 HE2 PHE 40 HE2 PHE 40 -8.952 -7.791 -6.929 320 HZ PHE 40 HZ PHE 40 -9.767 -7.454 -9.250 321 H SER 41 HN SER 41 -16.498 -8.375 -4.656 322 HA SER 41 HA SER 41 -16.676 -8.682 -1.820 323 1HB SER 41 HB2 SER 41 -19.052 -8.935 -2.197 324 2HB SER 41 HB1 SER 41 -18.456 -7.689 -3.291 325 HG SER 41 HG SER 41 -19.772 -9.836 -3.932 326 H ASP 42 HN ASP 42 -17.882 -10.507 -0.832 327 HA ASP 42 HA ASP 42 -16.510 -12.983 -1.181 328 1HB ASP 42 HB2 ASP 42 -19.065 -12.294 0.310 329 2HB ASP 42 HB1 ASP 42 -18.213 -13.832 0.443 330 H ALA 43 HN ALA 43 -19.282 -11.649 -2.792 331 HA ALA 43 HA ALA 43 -20.201 -14.298 -3.695 332 1HB ALA 43 HB1 ALA 43 -22.004 -13.042 -4.806 333 2HB ALA 43 HB2 ALA 43 -21.231 -11.520 -4.359 334 3HB ALA 43 HB3 ALA 43 -21.877 -12.581 -3.108 335 H GLU 44 HN GLU 44 -17.966 -11.936 -4.645 336 HA GLU 44 HA GLU 44 -17.980 -12.714 -7.535 337 1HB GLU 44 HB2 GLU 44 -16.742 -10.369 -6.053 338 2HB GLU 44 HB1 GLU 44 -16.490 -10.702 -7.767 339 1HG GLU 44 HG2 GLU 44 -18.905 -10.513 -8.183 340 2HG GLU 44 HG1 GLU 44 -19.203 -10.243 -6.471 341 H CYS 45 HN CYS 45 -15.908 -12.556 -4.644 342 HA CYS 45 HA CYS 45 -13.467 -13.303 -5.746 343 1HB CYS 45 HB2 CYS 45 -14.727 -13.463 -3.051 344 2HB CYS 45 HB1 CYS 45 -13.434 -14.628 -3.290 345 HG CYS 45 HG CYS 45 -11.767 -12.685 -3.687 346 HA PRO 46 HA PRO 46 -14.499 -18.064 -5.164 347 1HB PRO 46 HB2 PRO 46 -17.197 -18.699 -4.967 348 2HB PRO 46 HB1 PRO 46 -16.144 -18.429 -3.559 349 1HG PRO 46 HG2 PRO 46 -17.954 -16.447 -4.937 350 2HG PRO 46 HG1 PRO 46 -17.848 -16.837 -3.201 351 1HD PRO 46 HD2 PRO 46 -16.567 -14.691 -4.087 352 2HD PRO 46 HD1 PRO 46 -15.697 -15.770 -2.981 353 H LYS 47 HN LYS 47 -17.019 -16.146 -6.853 354 HA LYS 47 HA LYS 47 -17.400 -17.965 -8.987 355 1HB LYS 47 HB2 LYS 47 -17.733 -14.948 -8.985 356 2HB LYS 47 HB1 LYS 47 -18.436 -16.049 -10.167 357 1HG LYS 47 HG2 LYS 47 -19.062 -16.200 -7.190 358 2HG LYS 47 HG1 LYS 47 -20.018 -15.251 -8.324 359 1HD LYS 47 HD2 LYS 47 -20.491 -17.333 -9.630 360 2HD LYS 47 HD1 LYS 47 -19.612 -18.269 -8.426 361 1HE LYS 47 HE2 LYS 47 -22.017 -18.349 -7.953 362 2HE LYS 47 HE1 LYS 47 -21.167 -17.488 -6.669 363 1HZ LYS 47 HZ1 LYS 47 -21.968 -15.761 -8.800 364 2HZ LYS 47 HZ2 LYS 47 -22.252 -15.622 -7.131 365 3HZ LYS 47 HZ3 LYS 47 -23.291 -16.555 -8.099 366 H LEU 48 HN LEU 48 -15.242 -15.130 -8.738 367 HA LEU 48 HA LEU 48 -14.218 -15.331 -11.365 368 1HB LEU 48 HB2 LEU 48 -13.074 -14.140 -8.824 369 2HB LEU 48 HB1 LEU 48 -12.264 -13.971 -10.377 370 HG LEU 48 HG LEU 48 -15.159 -13.069 -9.971 371 1HD1 LEU 48 HD11 LEU 48 -13.739 -11.840 -8.360 372 2HD1 LEU 48 HD12 LEU 48 -14.287 -10.773 -9.652 373 3HD1 LEU 48 HD13 LEU 48 -12.636 -11.395 -9.664 374 1HD2 LEU 48 HD21 LEU 48 -14.574 -11.550 -11.920 375 2HD2 LEU 48 HD22 LEU 48 -14.501 -13.251 -12.341 376 3HD2 LEU 48 HD23 LEU 48 -13.013 -12.361 -12.033 377 H ASP 49 HN ASP 49 -13.246 -16.833 -8.323 378 HA ASP 49 HA ASP 49 -10.779 -17.903 -9.139 379 1HB ASP 49 HB2 ASP 49 -12.803 -18.998 -7.158 380 2HB ASP 49 HB1 ASP 49 -11.131 -19.544 -7.287 381 H VAL 50 HN VAL 50 -14.045 -18.924 -9.847 382 HA VAL 50 HA VAL 50 -13.166 -21.525 -10.904 383 HB VAL 50 HB VAL 50 -15.930 -20.225 -10.919 384 1HG1 VAL 50 HG11 VAL 50 -16.744 -22.560 -11.412 385 2HG1 VAL 50 HG12 VAL 50 -15.067 -23.052 -11.646 386 3HG1 VAL 50 HG13 VAL 50 -15.799 -21.871 -12.730 387 1HG2 VAL 50 HG21 VAL 50 -14.765 -22.413 -9.165 388 2HG2 VAL 50 HG22 VAL 50 -16.420 -21.809 -9.090 389 3HG2 VAL 50 HG23 VAL 50 -15.077 -20.756 -8.657 390 H VAL 51 HN VAL 51 -13.985 -18.316 -12.083 391 HA VAL 51 HA VAL 51 -14.054 -19.107 -14.880 392 HB VAL 51 HB VAL 51 -13.913 -16.360 -13.580 393 1HG1 VAL 51 HG11 VAL 51 -14.393 -17.199 -16.473 394 2HG1 VAL 51 HG12 VAL 51 -13.082 -16.186 -15.873 395 3HG1 VAL 51 HG13 VAL 51 -14.735 -15.582 -15.853 396 1HG2 VAL 51 HG21 VAL 51 -16.329 -16.301 -14.104 397 2HG2 VAL 51 HG22 VAL 51 -15.967 -17.681 -13.074 398 3HG2 VAL 51 HG23 VAL 51 -16.229 -17.919 -14.797 399 H PHE 52 HN PHE 52 -11.653 -18.361 -12.535 400 HA PHE 52 HA PHE 52 -9.609 -17.262 -14.124 401 1HB PHE 52 HB2 PHE 52 -9.849 -18.313 -11.400 402 2HB PHE 52 HB1 PHE 52 -8.327 -18.845 -12.092 403 HD1 PHE 52 HD1 PHE 52 -6.824 -17.080 -13.240 404 HD2 PHE 52 HD2 PHE 52 -10.035 -16.025 -10.569 405 HE1 PHE 52 HE1 PHE 52 -5.824 -14.839 -12.912 406 HE2 PHE 52 HE2 PHE 52 -9.020 -13.785 -10.247 407 HZ PHE 52 HZ PHE 52 -6.919 -13.192 -11.421 408 HA PRO 53 HA PRO 53 -7.745 -21.716 -14.828 409 1HB PRO 53 HB2 PRO 53 -9.533 -23.847 -14.592 410 2HB PRO 53 HB1 PRO 53 -8.465 -23.300 -13.277 411 1HG PRO 53 HG2 PRO 53 -11.335 -22.526 -13.789 412 2HG PRO 53 HG1 PRO 53 -10.593 -23.105 -12.277 413 1HD PRO 53 HD2 PRO 53 -10.943 -20.491 -12.584 414 2HD PRO 53 HD1 PRO 53 -9.378 -21.051 -11.961 415 H HIS 54 HN HIS 54 -10.971 -20.713 -15.806 416 HA HIS 54 HA HIS 54 -11.204 -22.219 -18.190 417 1HB HIS 54 HB2 HIS 54 -12.223 -19.415 -17.643 418 2HB HIS 54 HB1 HIS 54 -12.738 -20.443 -18.972 419 HD1 HIS 54 HD1 HIS 54 -12.193 -22.573 -16.129 420 HD2 HIS 54 HD2 HIS 54 -15.305 -20.083 -17.358 421 HE1 HIS 54 HE1 HIS 54 -14.262 -23.345 -14.890 422 HE2 HIS 54 HE2 HIS 54 -16.167 -21.838 -15.627 423 H PHE 55 HN PHE 55 -9.683 -19.032 -17.598 424 HA PHE 55 HA PHE 55 -8.860 -18.570 -20.313 425 1HB PHE 55 HB2 PHE 55 -7.524 -17.584 -17.768 426 2HB PHE 55 HB1 PHE 55 -7.374 -16.895 -19.381 427 HD1 PHE 55 HD1 PHE 55 -9.015 -16.419 -16.312 428 HD2 PHE 55 HD2 PHE 55 -9.796 -16.376 -20.547 429 HE1 PHE 55 HE1 PHE 55 -10.973 -14.971 -15.937 430 HE2 PHE 55 HE2 PHE 55 -11.762 -14.931 -20.152 431 HZ PHE 55 HZ PHE 55 -12.351 -14.231 -17.853 432 H ILE 56 HN ILE 56 -7.204 -20.072 -17.522 433 HA ILE 56 HA ILE 56 -4.771 -20.460 -18.955 434 HB ILE 56 HB ILE 56 -5.753 -21.928 -16.474 435 1HG1 ILE 56 HG12 ILE 56 -3.987 -19.441 -16.683 436 2HG1 ILE 56 HG11 ILE 56 -5.700 -19.391 -16.280 437 1HG2 ILE 56 HG21 ILE 56 -2.963 -21.542 -17.640 438 2HG2 ILE 56 HG22 ILE 56 -3.844 -23.065 -17.540 439 3HG2 ILE 56 HG23 ILE 56 -3.296 -22.273 -16.071 440 1HD1 ILE 56 HD11 ILE 56 -5.260 -20.857 -14.308 441 2HD1 ILE 56 HD12 ILE 56 -4.400 -19.321 -14.221 442 3HD1 ILE 56 HD13 ILE 56 -3.536 -20.788 -14.676 443 H SER 57 HN SER 57 -7.575 -22.550 -18.353 444 HA SER 57 HA SER 57 -6.540 -24.917 -19.433 445 1HB SER 57 HB2 SER 57 -8.899 -25.570 -19.756 446 2HB SER 57 HB1 SER 57 -8.656 -24.807 -18.187 447 HG SER 57 HG SER 57 -9.545 -22.941 -18.967 448 H GLN 58 HN GLN 58 -8.010 -22.118 -21.050 449 HA GLN 58 HA GLN 58 -7.952 -23.371 -23.692 450 1HB GLN 58 HB2 GLN 58 -8.551 -20.516 -22.829 451 2HB GLN 58 HB1 GLN 58 -8.745 -21.128 -24.471 452 1HG GLN 58 HG2 GLN 58 -10.196 -22.247 -22.042 453 2HG GLN 58 HG1 GLN 58 -10.894 -21.091 -23.169 454 1HE2 GLN 58 HE21 GLN 58 -10.987 -24.301 -22.483 455 2HE2 GLN 58 HE22 GLN 58 -11.257 -24.930 -24.037 456 H ILE 59 HN ILE 59 -5.818 -21.262 -21.848 457 HA ILE 59 HA ILE 59 -4.275 -20.294 -24.037 458 HB ILE 59 HB ILE 59 -3.692 -20.746 -21.100 459 1HG1 ILE 59 HG12 ILE 59 -5.196 -18.773 -22.114 460 2HG1 ILE 59 HG11 ILE 59 -4.074 -18.429 -20.806 461 1HG2 ILE 59 HG21 ILE 59 -1.483 -21.002 -21.992 462 2HG2 ILE 59 HG22 ILE 59 -1.568 -19.311 -21.502 463 3HG2 ILE 59 HG23 ILE 59 -1.739 -19.744 -23.202 464 1HD1 ILE 59 HD11 ILE 59 -4.092 -16.816 -22.812 465 2HD1 ILE 59 HD12 ILE 59 -3.270 -18.092 -23.709 466 3HD1 ILE 59 HD13 ILE 59 -2.520 -17.397 -22.272 467 H GLU 60 HN GLU 60 -3.949 -23.231 -22.020 468 HA GLU 60 HA GLU 60 -1.567 -24.204 -23.142 469 1HB GLU 60 HB2 GLU 60 -3.931 -25.757 -22.040 470 2HB GLU 60 HB1 GLU 60 -2.321 -26.425 -22.307 471 1HG GLU 60 HG2 GLU 60 -2.926 -24.083 -20.462 472 2HG GLU 60 HG1 GLU 60 -2.715 -25.746 -19.924 473 H SER 61 HN SER 61 -4.928 -24.578 -24.185 474 HA SER 61 HA SER 61 -4.560 -26.463 -26.252 475 1HB SER 61 HB2 SER 61 -6.599 -24.240 -26.048 476 2HB SER 61 HB1 SER 61 -6.707 -25.645 -27.101 477 HG SER 61 HG SER 61 -7.449 -25.428 -24.574 478 H MET 62 HN MET 62 -4.485 -22.885 -26.312 479 HA MET 62 HA MET 62 -4.185 -22.469 -29.065 480 1HB MET 62 HB2 MET 62 -2.990 -20.899 -26.754 481 2HB MET 62 HB1 MET 62 -3.038 -20.325 -28.421 482 1HG MET 62 HG2 MET 62 -5.516 -21.082 -26.844 483 2HG MET 62 HG1 MET 62 -4.910 -19.438 -26.973 484 1HE MET 62 HE1 MET 62 -7.121 -22.133 -28.567 485 2HE MET 62 HE2 MET 62 -8.018 -20.982 -29.556 486 3HE MET 62 HE3 MET 62 -7.800 -20.673 -27.835 487 H LEU 63 HN LEU 63 -1.704 -23.207 -26.641 488 HA LEU 63 HA LEU 63 0.510 -22.888 -28.374 489 1HB LEU 63 HB2 LEU 63 0.280 -24.798 -26.012 490 2HB LEU 63 HB1 LEU 63 1.776 -24.175 -26.707 491 HG LEU 63 HG LEU 63 -0.365 -22.490 -25.359 492 1HD1 LEU 63 HD11 LEU 63 2.384 -23.334 -24.388 493 2HD1 LEU 63 HD12 LEU 63 0.846 -23.925 -23.763 494 3HD1 LEU 63 HD13 LEU 63 1.295 -22.235 -23.540 495 1HD2 LEU 63 HD21 LEU 63 0.720 -21.041 -26.913 496 2HD2 LEU 63 HD22 LEU 63 2.298 -21.780 -26.641 497 3HD2 LEU 63 HD23 LEU 63 1.576 -20.747 -25.407 498 H THR 64 HN THR 64 -1.729 -25.549 -27.853 499 HA THR 64 HA THR 64 -0.189 -27.432 -29.429 500 HB THR 64 HB THR 64 -3.073 -27.653 -28.485 501 HG1 THR 64 HG1 THR 64 -0.662 -28.453 -27.233 502 1HG2 THR 64 HG21 THR 64 -2.478 -29.342 -30.164 503 2HG2 THR 64 HG22 THR 64 -2.590 -30.094 -28.574 504 3HG2 THR 64 HG23 THR 64 -1.009 -29.741 -29.272 505 H THR 65 HN THR 65 -3.439 -25.920 -29.909 506 HA THR 65 HA THR 65 -3.438 -26.701 -32.737 507 HB THR 65 HB THR 65 -5.491 -26.859 -31.297 508 HG1 THR 65 HG1 THR 65 -6.181 -26.851 -33.268 509 1HG2 THR 65 HG21 THR 65 -5.120 -24.577 -30.161 510 2HG2 THR 65 HG22 THR 65 -6.760 -24.897 -30.712 511 3HG2 THR 65 HG23 THR 65 -5.702 -23.850 -31.653 512 H GLY 66 HN GLY 66 -3.227 -23.690 -30.863 513 1HA GLY 66 HA2 GLY 66 -3.361 -21.947 -33.139 514 2HA GLY 66 HA1 GLY 66 -2.786 -21.517 -31.531 515 H GLU 67 HN GLU 67 -1.056 -24.119 -32.083 516 HA GLU 67 HA GLU 67 1.209 -24.426 -32.417 517 1HB GLU 67 HB2 GLU 67 0.206 -24.793 -34.668 518 2HB GLU 67 HB1 GLU 67 0.496 -23.099 -35.056 519 1HG GLU 67 HG2 GLU 67 2.927 -23.432 -34.787 520 2HG GLU 67 HG1 GLU 67 2.657 -25.107 -34.319 521 H LEU 68 HN LEU 68 1.865 -22.842 -30.764 522 HA LEU 68 HA LEU 68 2.463 -20.118 -31.591 523 1HB LEU 68 HB2 LEU 68 1.748 -20.850 -29.230 524 2HB LEU 68 HB1 LEU 68 3.373 -21.491 -29.031 525 HG LEU 68 HG LEU 68 4.109 -19.013 -29.823 526 1HD1 LEU 68 HD11 LEU 68 2.549 -17.270 -29.021 527 2HD1 LEU 68 HD12 LEU 68 1.363 -18.508 -28.613 528 3HD1 LEU 68 HD13 LEU 68 1.799 -18.226 -30.295 529 1HD2 LEU 68 HD21 LEU 68 4.230 -18.281 -27.490 530 2HD2 LEU 68 HD22 LEU 68 4.614 -19.997 -27.581 531 3HD2 LEU 68 HD23 LEU 68 3.028 -19.479 -27.014 532 H ASN 69 HN ASN 69 4.398 -19.291 -32.180 533 HA ASN 69 HA ASN 69 6.807 -21.052 -32.267 534 1HB ASN 69 HB2 ASN 69 7.329 -19.937 -34.450 535 2HB ASN 69 HB1 ASN 69 5.862 -20.912 -34.514 536 1HD2 ASN 69 HD21 ASN 69 3.746 -19.675 -34.304 537 2HD2 ASN 69 HD22 ASN 69 3.693 -18.072 -34.857 538 HA PRO 70 HA PRO 70 7.636 -17.087 -29.809 539 1HB PRO 70 HB2 PRO 70 9.745 -19.081 -28.896 540 2HB PRO 70 HB1 PRO 70 8.900 -17.836 -27.939 541 1HG PRO 70 HG2 PRO 70 8.100 -20.324 -27.718 542 2HG PRO 70 HG1 PRO 70 6.869 -19.059 -27.954 543 1HD PRO 70 HD2 PRO 70 7.983 -20.989 -30.022 544 2HD PRO 70 HD1 PRO 70 6.296 -20.487 -29.762 545 H ARG 71 HN ARG 71 8.358 -15.840 -31.548 546 HA ARG 71 HA ARG 71 11.166 -15.638 -31.863 547 1HB ARG 71 HB2 ARG 71 10.772 -17.620 -33.319 548 2HB ARG 71 HB1 ARG 71 9.645 -16.682 -34.290 549 1HG ARG 71 HG2 ARG 71 11.449 -15.162 -34.976 550 2HG ARG 71 HG1 ARG 71 12.583 -15.997 -33.916 551 1HD ARG 71 HD2 ARG 71 12.259 -18.075 -35.241 552 2HD ARG 71 HD1 ARG 71 11.143 -17.210 -36.297 553 HE ARG 71 HE ARG 71 12.960 -16.217 -37.345 554 1HH1 ARG 71 HH21 ARG 71 13.931 -17.564 -34.295 555 2HH1 ARG 71 HH22 ARG 71 15.619 -17.271 -34.551 556 1HH2 ARG 71 HH11 ARG 71 15.176 -15.833 -37.672 557 2HH2 ARG 71 HH12 ARG 71 16.320 -16.293 -36.457 558 H HIS 72 HN HIS 72 7.954 -14.665 -32.524 559 HA HIS 72 HA HIS 72 8.787 -11.923 -33.174 560 1HB HIS 72 HB2 HIS 72 8.550 -13.080 -35.377 561 2HB HIS 72 HB1 HIS 72 6.881 -13.471 -34.973 562 HD1 HIS 72 HD1 HIS 72 5.157 -11.715 -35.511 563 HD2 HIS 72 HD2 HIS 72 9.018 -10.141 -35.488 564 HE1 HIS 72 HE1 HIS 72 4.959 -9.318 -36.305 565 HE2 HIS 72 HE2 HIS 72 7.304 -8.344 -36.296 566 H ALA 73 HN ALA 73 7.284 -10.377 -32.656 567 HA ALA 73 HA ALA 73 5.540 -10.872 -30.535 568 1HB ALA 73 HB1 ALA 73 5.447 -8.552 -32.492 569 2HB ALA 73 HB2 ALA 73 6.531 -8.663 -31.111 570 3HB ALA 73 HB3 ALA 73 4.790 -8.569 -30.853 571 H GLN 74 HN GLN 74 3.335 -11.170 -30.368 572 HA GLN 74 HA GLN 74 1.553 -11.008 -32.665 573 1HB GLN 74 HB2 GLN 74 2.692 -13.219 -32.978 574 2HB GLN 74 HB1 GLN 74 2.105 -13.719 -31.395 575 1HG GLN 74 HG2 GLN 74 -0.232 -13.431 -32.162 576 2HG GLN 74 HG1 GLN 74 0.351 -12.900 -33.738 577 1HE2 GLN 74 HE21 GLN 74 -0.227 -14.631 -35.089 578 2HE2 GLN 74 HE22 GLN 74 0.222 -16.244 -34.814 579 H CYS 75 HN CYS 75 0.165 -9.753 -31.567 580 HA CYS 75 HA CYS 75 -0.649 -10.299 -28.827 581 1HB CYS 75 HB2 CYS 75 -1.677 -8.252 -30.819 582 2HB CYS 75 HB1 CYS 75 -2.008 -8.276 -29.085 583 HG CYS 75 HG CYS 75 0.895 -8.245 -29.188 584 H VAL 76 HN VAL 76 -2.660 -11.067 -28.166 585 HA VAL 76 HA VAL 76 -4.667 -11.763 -30.213 586 HB VAL 76 HB VAL 76 -3.275 -13.776 -29.920 587 1HG1 VAL 76 HG11 VAL 76 -4.122 -13.703 -26.998 588 2HG1 VAL 76 HG12 VAL 76 -2.516 -13.280 -27.593 589 3HG1 VAL 76 HG13 VAL 76 -3.117 -14.927 -27.773 590 1HG2 VAL 76 HG21 VAL 76 -5.736 -14.024 -30.316 591 2HG2 VAL 76 HG22 VAL 76 -5.983 -14.134 -28.572 592 3HG2 VAL 76 HG23 VAL 76 -5.054 -15.375 -29.411 593 H THR 77 HN THR 77 -6.804 -11.838 -29.424 594 HA THR 77 HA THR 77 -7.248 -11.003 -26.591 595 HB THR 77 HB THR 77 -9.041 -9.515 -27.399 596 HG1 THR 77 HG1 THR 77 -9.169 -9.153 -29.657 597 1HG2 THR 77 HG21 THR 77 -6.381 -9.032 -28.776 598 2HG2 THR 77 HG22 THR 77 -6.766 -8.604 -27.107 599 3HG2 THR 77 HG23 THR 77 -7.602 -7.805 -28.440 600 H LEU 78 HN LEU 78 -8.098 -12.855 -25.750 601 HA LEU 78 HA LEU 78 -9.991 -14.535 -27.224 602 1HB LEU 78 HB2 LEU 78 -9.126 -14.677 -24.307 603 2HB LEU 78 HB1 LEU 78 -9.904 -15.952 -25.245 604 HG LEU 78 HG LEU 78 -7.134 -14.802 -25.758 605 1HD1 LEU 78 HD11 LEU 78 -7.249 -16.195 -23.732 606 2HD1 LEU 78 HD12 LEU 78 -6.339 -17.016 -24.998 607 3HD1 LEU 78 HD13 LEU 78 -8.001 -17.496 -24.657 608 1HD2 LEU 78 HD21 LEU 78 -6.989 -16.878 -27.317 609 2HD2 LEU 78 HD22 LEU 78 -7.926 -15.511 -27.898 610 3HD2 LEU 78 HD23 LEU 78 -8.753 -16.920 -27.230 611 H TYR 79 HN TYR 79 -12.201 -14.801 -26.657 612 HA TYR 79 HA TYR 79 -13.358 -12.911 -24.702 613 1HB TYR 79 HB2 TYR 79 -13.482 -11.848 -26.943 614 2HB TYR 79 HB1 TYR 79 -14.328 -13.263 -27.565 615 HD1 TYR 79 HD1 TYR 79 -16.628 -13.815 -26.783 616 HD2 TYR 79 HD2 TYR 79 -14.628 -10.239 -25.474 617 HE1 TYR 79 HE1 TYR 79 -18.783 -12.905 -25.959 618 HE2 TYR 79 HE2 TYR 79 -16.785 -9.335 -24.653 619 HH TYR 79 HH TYR 79 -19.829 -11.092 -25.163 620 H HIS 80 HN HIS 80 -14.721 -14.010 -23.390 621 HA HIS 80 HA HIS 80 -16.626 -15.918 -24.305 622 1HB HIS 80 HB2 HIS 80 -15.463 -17.844 -22.801 623 2HB HIS 80 HB1 HIS 80 -15.059 -17.650 -24.504 624 HD1 HIS 80 HD1 HIS 80 -12.648 -18.498 -24.248 625 HD2 HIS 80 HD2 HIS 80 -13.480 -15.181 -21.866 626 HE1 HIS 80 HE1 HIS 80 -10.419 -17.644 -23.405 627 HE2 HIS 80 HE2 HIS 80 -10.910 -15.627 -21.943 628 H ASN 81 HN ASN 81 -18.136 -16.455 -22.731 629 HA ASN 81 HA ASN 81 -19.439 -16.028 -20.901 630 1HB ASN 81 HB2 ASN 81 -17.685 -17.504 -19.905 631 2HB ASN 81 HB1 ASN 81 -16.772 -16.069 -19.450 632 1HD2 ASN 81 HD21 ASN 81 -17.025 -16.572 -17.142 633 2HD2 ASN 81 HD22 ASN 81 -18.518 -16.358 -16.363 634 H GLY 82 HN GLY 82 -18.441 -13.752 -22.419 635 1HA GLY 82 HA2 GLY 82 -18.773 -11.475 -22.324 636 2HA GLY 82 HA1 GLY 82 -19.257 -11.636 -20.640 637 H PHE 83 HN PHE 83 -16.656 -13.062 -20.003 638 HA PHE 83 HA PHE 83 -15.066 -10.680 -19.455 639 1HB PHE 83 HB2 PHE 83 -14.516 -13.603 -18.824 640 2HB PHE 83 HB1 PHE 83 -13.690 -12.204 -18.139 641 HD1 PHE 83 HD1 PHE 83 -16.409 -14.483 -17.601 642 HD2 PHE 83 HD2 PHE 83 -15.238 -10.379 -17.024 643 HE1 PHE 83 HE1 PHE 83 -18.117 -14.238 -15.826 644 HE2 PHE 83 HE2 PHE 83 -16.948 -10.147 -15.254 645 HZ PHE 83 HZ PHE 83 -18.387 -12.071 -14.653 646 H THR 84 HN THR 84 -12.830 -10.449 -20.075 647 HA THR 84 HA THR 84 -11.748 -12.230 -22.138 648 HB THR 84 HB THR 84 -12.975 -10.756 -23.588 649 HG1 THR 84 HG1 THR 84 -10.714 -9.304 -23.831 650 1HG2 THR 84 HG21 THR 84 -13.478 -8.966 -21.966 651 2HG2 THR 84 HG22 THR 84 -12.798 -8.302 -23.449 652 3HG2 THR 84 HG23 THR 84 -11.794 -8.446 -22.011 653 H CYS 85 HN CYS 85 -9.628 -12.390 -22.001 654 HA CYS 85 HA CYS 85 -8.107 -10.575 -20.195 655 1HB CYS 85 HB2 CYS 85 -7.446 -13.393 -21.130 656 2HB CYS 85 HB1 CYS 85 -6.511 -12.437 -19.976 657 HG CYS 85 HG CYS 85 -9.303 -13.687 -19.419 658 H GLU 86 HN GLU 86 -6.166 -9.550 -21.008 659 HA GLU 86 HA GLU 86 -5.787 -9.735 -23.941 660 1HB GLU 86 HB2 GLU 86 -5.062 -7.575 -21.925 661 2HB GLU 86 HB1 GLU 86 -4.619 -7.508 -23.633 662 1HG GLU 86 HG2 GLU 86 -7.005 -7.598 -24.260 663 2HG GLU 86 HG1 GLU 86 -7.456 -7.678 -22.559 664 H ALA 87 HN ALA 87 -3.718 -10.220 -24.752 665 HA ALA 87 HA ALA 87 -1.435 -10.530 -22.889 666 1HB ALA 87 HB1 ALA 87 -1.005 -12.813 -23.656 667 2HB ALA 87 HB2 ALA 87 -2.426 -12.758 -24.701 668 3HB ALA 87 HB3 ALA 87 -2.620 -12.712 -22.951 669 H ASP 88 HN ASP 88 0.596 -10.398 -23.900 670 HA ASP 88 HA ASP 88 0.737 -10.152 -26.821 671 1HB ASP 88 HB2 ASP 88 1.856 -7.982 -24.991 672 2HB ASP 88 HB1 ASP 88 1.917 -8.016 -26.753 673 H THR 89 HN THR 89 2.731 -10.811 -27.613 674 HA THR 89 HA THR 89 4.559 -12.019 -25.640 675 HB THR 89 HB THR 89 4.575 -12.233 -28.684 676 HG1 THR 89 HG1 THR 89 2.884 -13.396 -28.317 677 1HG2 THR 89 HG21 THR 89 6.726 -12.825 -27.648 678 2HG2 THR 89 HG22 THR 89 5.907 -14.283 -28.207 679 3HG2 THR 89 HG23 THR 89 5.902 -13.875 -26.491 680 H LEU 90 HN LEU 90 4.201 -9.342 -27.839 681 HA LEU 90 HA LEU 90 5.490 -7.669 -28.597 682 1HB LEU 90 HB2 LEU 90 6.523 -6.355 -26.948 683 2HB LEU 90 HB1 LEU 90 5.360 -7.306 -26.038 684 HG LEU 90 HG LEU 90 7.943 -8.726 -26.095 685 1HD1 LEU 90 HD11 LEU 90 8.073 -5.943 -24.926 686 2HD1 LEU 90 HD12 LEU 90 8.945 -6.474 -26.363 687 3HD1 LEU 90 HD13 LEU 90 9.316 -7.189 -24.793 688 1HD2 LEU 90 HD21 LEU 90 6.133 -9.074 -24.477 689 2HD2 LEU 90 HD22 LEU 90 6.438 -7.465 -23.816 690 3HD2 LEU 90 HD23 LEU 90 7.675 -8.722 -23.694 691 H GLY 91 HN GLY 91 6.512 -10.534 -28.888 692 1HA GLY 91 HA2 GLY 91 8.184 -11.401 -30.257 693 2HA GLY 91 HA1 GLY 91 9.013 -9.845 -30.238 694 H SER 92 HN SER 92 7.977 -10.949 -27.209 695 HA SER 92 HA SER 92 10.443 -10.963 -25.946 696 1HB SER 92 HB2 SER 92 8.448 -10.920 -24.582 697 2HB SER 92 HB1 SER 92 7.878 -12.429 -25.298 698 HG SER 92 HG SER 92 10.073 -12.019 -23.563 699 H CYS 93 HN CYS 93 9.170 -13.457 -28.009 700 HA CYS 93 HA CYS 93 9.981 -15.659 -28.464 701 1HB CYS 93 HB2 CYS 93 12.224 -15.531 -29.286 702 2HB CYS 93 HB1 CYS 93 11.375 -14.041 -29.692 703 HG CYS 93 HG CYS 93 13.702 -14.294 -27.672 704 H GLY 94 HN GLY 94 9.717 -15.239 -25.517 705 1HA GLY 94 HA2 GLY 94 11.126 -17.516 -24.627 706 2HA GLY 94 HA1 GLY 94 12.032 -16.090 -24.139 707 H TYR 95 HN TYR 95 10.055 -14.304 -23.456 708 HA TYR 95 HA TYR 95 8.755 -15.588 -21.096 709 1HB TYR 95 HB2 TYR 95 9.572 -12.694 -21.560 710 2HB TYR 95 HB1 TYR 95 8.743 -13.297 -20.130 711 HD1 TYR 95 HD1 TYR 95 9.865 -14.972 -18.623 712 HD2 TYR 95 HD2 TYR 95 11.978 -13.081 -21.860 713 HE1 TYR 95 HE1 TYR 95 12.022 -15.674 -17.630 714 HE2 TYR 95 HE2 TYR 95 14.133 -13.784 -20.858 715 HH TYR 95 HH TYR 95 14.509 -14.720 -17.778 716 H VAL 96 HN VAL 96 6.629 -15.202 -20.675 717 HA VAL 96 HA VAL 96 4.947 -13.647 -22.544 718 HB VAL 96 HB VAL 96 3.338 -15.625 -22.562 719 1HG1 VAL 96 HG11 VAL 96 6.054 -16.100 -23.838 720 2HG1 VAL 96 HG12 VAL 96 4.772 -15.093 -24.511 721 3HG1 VAL 96 HG13 VAL 96 4.530 -16.832 -24.345 722 1HG2 VAL 96 HG21 VAL 96 5.793 -17.128 -21.581 723 2HG2 VAL 96 HG22 VAL 96 4.258 -17.847 -22.063 724 3HG2 VAL 96 HG23 VAL 96 4.339 -16.830 -20.627 725 H TYR 97 HN TYR 97 3.210 -12.709 -21.566 726 HA TYR 97 HA TYR 97 2.493 -13.399 -18.775 727 1HB TYR 97 HB2 TYR 97 2.458 -10.946 -18.213 728 2HB TYR 97 HB1 TYR 97 4.075 -11.559 -18.522 729 HD1 TYR 97 HD1 TYR 97 5.404 -10.721 -20.354 730 HD2 TYR 97 HD2 TYR 97 1.236 -9.682 -20.069 731 HE1 TYR 97 HE1 TYR 97 5.686 -9.071 -22.132 732 HE2 TYR 97 HE2 TYR 97 1.537 -8.022 -21.886 733 HH TYR 97 HH TYR 97 2.959 -7.383 -23.573 734 H ILE 98 HN ILE 98 0.521 -12.427 -18.105 735 HA ILE 98 HA ILE 98 -1.377 -11.723 -20.269 736 HB ILE 98 HB ILE 98 -3.034 -13.320 -19.354 737 1HG1 ILE 98 HG12 ILE 98 -0.749 -14.342 -17.609 738 2HG1 ILE 98 HG11 ILE 98 -2.092 -13.394 -16.996 739 1HG2 ILE 98 HG21 ILE 98 -1.478 -13.993 -21.213 740 2HG2 ILE 98 HG22 ILE 98 -2.014 -15.360 -20.246 741 3HG2 ILE 98 HG23 ILE 98 -0.397 -14.695 -20.011 742 1HD1 ILE 98 HD11 ILE 98 -2.261 -16.142 -18.269 743 2HD1 ILE 98 HD12 ILE 98 -3.664 -15.163 -17.841 744 3HD1 ILE 98 HD13 ILE 98 -2.566 -15.728 -16.583 745 H ALA 99 HN ALA 99 -3.435 -10.920 -19.413 746 HA ALA 99 HA ALA 99 -3.469 -9.870 -16.680 747 1HB ALA 99 HB1 ALA 99 -2.233 -8.122 -17.942 748 2HB ALA 99 HB2 ALA 99 -3.811 -7.545 -17.406 749 3HB ALA 99 HB3 ALA 99 -3.570 -8.019 -19.087 750 H VAL 100 HN VAL 100 -5.458 -9.367 -15.955 751 HA VAL 100 HA VAL 100 -7.809 -10.037 -17.679 752 HB VAL 100 HB VAL 100 -7.261 -11.818 -16.026 753 1HG1 VAL 100 HG11 VAL 100 -7.911 -9.773 -13.870 754 2HG1 VAL 100 HG12 VAL 100 -6.270 -10.258 -14.295 755 3HG1 VAL 100 HG13 VAL 100 -7.400 -11.444 -13.644 756 1HG2 VAL 100 HG21 VAL 100 -9.609 -11.402 -16.723 757 2HG2 VAL 100 HG22 VAL 100 -9.810 -10.295 -15.364 758 3HG2 VAL 100 HG23 VAL 100 -9.515 -12.006 -15.069 759 H TYR 101 HN TYR 101 -9.370 -8.587 -17.722 760 HA TYR 101 HA TYR 101 -9.609 -6.477 -15.647 761 1HB TYR 101 HB2 TYR 101 -8.243 -5.598 -17.544 762 2HB TYR 101 HB1 TYR 101 -9.573 -5.951 -18.646 763 HD1 TYR 101 HD1 TYR 101 -8.568 -3.946 -15.665 764 HD2 TYR 101 HD2 TYR 101 -11.531 -4.474 -18.745 765 HE1 TYR 101 HE1 TYR 101 -9.637 -1.812 -15.010 766 HE2 TYR 101 HE2 TYR 101 -12.591 -2.335 -18.082 767 HH TYR 101 HH TYR 101 -12.617 -0.682 -16.595 768 HA PRO 102 HA PRO 102 -13.690 -8.559 -16.524 769 1HB PRO 102 HB2 PRO 102 -14.360 -6.838 -14.115 770 2HB PRO 102 HB1 PRO 102 -14.870 -8.508 -14.465 771 1HG PRO 102 HG2 PRO 102 -12.932 -8.102 -12.717 772 2HG PRO 102 HG1 PRO 102 -12.746 -9.388 -13.933 773 1HD PRO 102 HD2 PRO 102 -11.479 -6.628 -13.925 774 2HD PRO 102 HD1 PRO 102 -10.752 -8.190 -14.373 775 H THR 103 HN THR 103 -15.381 -7.798 -17.752 776 HA THR 103 HA THR 103 -15.286 -5.094 -18.751 777 HB THR 103 HB THR 103 -17.199 -5.802 -20.121 778 HG1 THR 103 HG1 THR 103 -17.682 -8.183 -19.729 779 1HG2 THR 103 HG21 THR 103 -14.931 -6.488 -20.822 780 2HG2 THR 103 HG22 THR 103 -16.131 -7.699 -21.272 781 3HG2 THR 103 HG23 THR 103 -15.089 -7.970 -19.876 782 H GLN 104 HN GLN 104 -16.565 -3.387 -18.182 783 HA GLN 104 HA GLN 104 -18.083 -3.523 -15.710 784 1HB GLN 104 HB2 GLN 104 -17.648 -1.273 -17.707 785 2HB GLN 104 HB1 GLN 104 -18.454 -1.091 -16.147 786 1HG GLN 104 HG2 GLN 104 -16.405 -1.858 -14.996 787 2HG GLN 104 HG1 GLN 104 -15.596 -2.036 -16.551 788 1HE2 GLN 104 HE21 GLN 104 -15.953 0.089 -13.987 789 2HE2 GLN 104 HE22 GLN 104 -15.549 1.534 -14.781 790 H ARG 105 HN ARG 105 -18.792 -3.208 -19.169 791 HA ARG 105 HA ARG 105 -21.560 -2.671 -18.956 792 1HB ARG 105 HB2 ARG 105 -20.215 -2.378 -21.030 793 2HB ARG 105 HB1 ARG 105 -20.092 -4.129 -21.183 794 1HG ARG 105 HG2 ARG 105 -22.541 -4.314 -21.393 795 2HG ARG 105 HG1 ARG 105 -22.710 -2.577 -21.143 796 1HD ARG 105 HD2 ARG 105 -21.399 -2.164 -23.209 797 2HD ARG 105 HD1 ARG 105 -21.250 -3.902 -23.446 798 HE ARG 105 HE ARG 105 -23.439 -3.958 -24.222 799 1HH1 ARG 105 HH21 ARG 105 -22.842 -0.962 -22.562 800 2HH1 ARG 105 HH22 ARG 105 -24.353 -0.253 -23.025 801 1HH2 ARG 105 HH11 ARG 105 -25.417 -3.021 -24.819 802 2HH2 ARG 105 HH12 ARG 105 -25.805 -1.415 -24.299 Start of MODEL 3 1 1H MET 1 HT1 MET 1 3.777 7.689 -8.628 2 2H MET 1 HT2 MET 1 5.223 7.151 -7.916 3 3H MET 1 HT3 MET 1 4.373 8.456 -7.236 4 HA MET 1 HA MET 1 3.749 6.765 -5.837 5 1HB MET 1 HB2 MET 1 1.783 6.716 -8.159 6 2HB MET 1 HB1 MET 1 1.439 6.088 -6.548 7 1HG MET 1 HG2 MET 1 1.825 8.331 -5.586 8 2HG MET 1 HG1 MET 1 2.162 8.963 -7.198 9 1HE MET 1 HE1 MET 1 0.131 10.421 -5.550 10 2HE MET 1 HE2 MET 1 -1.208 10.617 -6.679 11 3HE MET 1 HE3 MET 1 0.449 10.761 -7.257 12 H SER 2 HN SER 2 3.091 4.459 -5.569 13 HA SER 2 HA SER 2 3.631 2.231 -5.759 14 1HB SER 2 HB2 SER 2 1.971 2.361 -7.560 15 2HB SER 2 HB1 SER 2 3.218 2.864 -8.694 16 HG SER 2 HG SER 2 2.781 0.602 -8.765 17 H ASN 3 HN ASN 3 5.779 2.350 -5.030 18 HA ASN 3 HA ASN 3 8.013 3.091 -6.575 19 1HB ASN 3 HB2 ASN 3 9.324 1.831 -4.882 20 2HB ASN 3 HB1 ASN 3 8.118 2.884 -4.144 21 1HD2 ASN 3 HD21 ASN 3 9.337 0.279 -3.135 22 2HD2 ASN 3 HD22 ASN 3 7.999 -0.710 -2.795 23 H THR 4 HN THR 4 6.627 -0.134 -5.963 24 HA THR 4 HA THR 4 8.050 -1.206 -8.365 25 HB THR 4 HB THR 4 9.069 -2.117 -6.355 26 HG1 THR 4 HG1 THR 4 7.359 -4.159 -7.216 27 1HG2 THR 4 HG21 THR 4 7.810 -3.367 -4.689 28 2HG2 THR 4 HG22 THR 4 6.314 -3.149 -5.586 29 3HG2 THR 4 HG23 THR 4 7.093 -1.766 -4.827 30 H THR 5 HN THR 5 6.817 -2.621 -9.685 31 HA THR 5 HA THR 5 4.105 -3.361 -8.833 32 HB THR 5 HB THR 5 3.529 -1.313 -9.925 33 HG1 THR 5 HG1 THR 5 2.789 -3.543 -10.884 34 1HG2 THR 5 HG21 THR 5 4.430 -0.671 -12.142 35 2HG2 THR 5 HG22 THR 5 5.483 -2.077 -12.119 36 3HG2 THR 5 HG23 THR 5 5.704 -0.792 -10.934 37 H TRP 6 HN TRP 6 3.697 -5.393 -9.387 38 HA TRP 6 HA TRP 6 5.553 -7.034 -10.763 39 1HB TRP 6 HB2 TRP 6 2.615 -7.518 -10.203 40 2HB TRP 6 HB1 TRP 6 3.806 -8.750 -10.640 41 HD1 TRP 6 HD1 TRP 6 2.301 -7.172 -7.673 42 HE1 TRP 6 HE1 TRP 6 3.667 -7.701 -5.554 43 HE3 TRP 6 HE3 TRP 6 6.577 -9.022 -9.797 44 HZ2 TRP 6 HZ2 TRP 6 6.224 -8.755 -4.849 45 HZ3 TRP 6 HZ3 TRP 6 8.457 -9.772 -8.372 46 HH2 TRP 6 HH2 TRP 6 8.285 -9.642 -5.903 47 H GLY 7 HN GLY 7 5.774 -7.532 -12.879 48 1HA GLY 7 HA2 GLY 7 5.198 -7.842 -15.115 49 2HA GLY 7 HA1 GLY 7 3.617 -7.131 -14.824 50 H LEU 8 HN LEU 8 4.059 -5.951 -16.822 51 HA LEU 8 HA LEU 8 6.194 -4.152 -17.143 52 1HB LEU 8 HB2 LEU 8 3.394 -4.306 -18.285 53 2HB LEU 8 HB1 LEU 8 4.438 -2.965 -18.722 54 HG LEU 8 HG LEU 8 4.501 -4.829 -20.385 55 1HD1 LEU 8 HD11 LEU 8 6.742 -4.637 -20.874 56 2HD1 LEU 8 HD12 LEU 8 7.279 -4.830 -19.214 57 3HD1 LEU 8 HD13 LEU 8 6.592 -3.300 -19.748 58 1HD2 LEU 8 HD21 LEU 8 5.890 -6.483 -18.249 59 2HD2 LEU 8 HD22 LEU 8 5.398 -6.994 -19.857 60 3HD2 LEU 8 HD23 LEU 8 4.178 -6.655 -18.635 61 H GLN 9 HN GLN 9 6.356 -1.956 -16.935 62 HA GLN 9 HA GLN 9 5.157 -0.855 -14.484 63 1HB GLN 9 HB2 GLN 9 7.312 0.203 -16.341 64 2HB GLN 9 HB1 GLN 9 6.814 0.957 -14.825 65 1HG GLN 9 HG2 GLN 9 7.439 -1.112 -13.602 66 2HG GLN 9 HG1 GLN 9 7.971 -1.837 -15.117 67 1HE2 GLN 9 HE21 GLN 9 10.033 -1.850 -13.560 68 2HE2 GLN 9 HE22 GLN 9 11.076 -0.524 -13.745 69 H ARG 10 HN ARG 10 3.159 0.032 -14.794 70 HA ARG 10 HA ARG 10 2.865 2.113 -16.878 71 1HB ARG 10 HB2 ARG 10 0.804 -0.054 -16.289 72 2HB ARG 10 HB1 ARG 10 0.585 1.300 -17.398 73 1HG ARG 10 HG2 ARG 10 2.457 0.493 -18.785 74 2HG ARG 10 HG1 ARG 10 2.699 -0.860 -17.680 75 1HD ARG 10 HD2 ARG 10 1.403 -1.620 -19.595 76 2HD ARG 10 HD1 ARG 10 0.401 -1.646 -18.148 77 HE ARG 10 HE ARG 10 -0.935 -0.007 -19.107 78 1HH1 ARG 10 HH21 ARG 10 2.128 -0.146 -20.725 79 2HH1 ARG 10 HH22 ARG 10 1.689 0.996 -21.951 80 1HH2 ARG 10 HH11 ARG 10 -1.512 1.497 -20.727 81 2HH2 ARG 10 HH12 ARG 10 -0.366 1.926 -21.949 82 H ASP 11 HN ASP 11 1.875 3.923 -16.162 83 HA ASP 11 HA ASP 11 1.614 4.402 -13.435 84 1HB ASP 11 HB2 ASP 11 2.050 6.144 -15.087 85 2HB ASP 11 HB1 ASP 11 0.420 5.967 -15.737 86 H ILE 12 HN ILE 12 -0.749 3.894 -15.987 87 HA ILE 12 HA ILE 12 -3.132 4.379 -14.627 88 HB ILE 12 HB ILE 12 -4.186 2.935 -16.472 89 1HG1 ILE 12 HG12 ILE 12 -1.343 2.760 -17.527 90 2HG1 ILE 12 HG11 ILE 12 -2.140 1.422 -16.721 91 1HG2 ILE 12 HG21 ILE 12 -3.634 4.517 -18.263 92 2HG2 ILE 12 HG22 ILE 12 -2.218 5.056 -17.365 93 3HG2 ILE 12 HG23 ILE 12 -3.833 5.369 -16.733 94 1HD1 ILE 12 HD11 ILE 12 -2.388 1.151 -19.122 95 2HD1 ILE 12 HD12 ILE 12 -3.062 2.769 -19.272 96 3HD1 ILE 12 HD13 ILE 12 -3.964 1.512 -18.429 97 H THR 13 HN THR 13 -4.296 3.360 -13.135 98 HA THR 13 HA THR 13 -3.463 0.734 -12.147 99 HB THR 13 HB THR 13 -5.770 2.364 -11.011 100 HG1 THR 13 HG1 THR 13 -3.907 3.073 -9.587 101 1HG2 THR 13 HG21 THR 13 -3.742 0.513 -9.708 102 2HG2 THR 13 HG22 THR 13 -5.358 0.015 -10.205 103 3HG2 THR 13 HG23 THR 13 -5.160 1.224 -8.938 104 HA PRO 14 HA PRO 14 -8.197 0.119 -14.038 105 1HB PRO 14 HB2 PRO 14 -7.282 1.731 -16.434 106 2HB PRO 14 HB1 PRO 14 -8.939 1.443 -15.832 107 1HG PRO 14 HG2 PRO 14 -7.871 3.739 -15.279 108 2HG PRO 14 HG1 PRO 14 -8.556 2.819 -13.907 109 1HD PRO 14 HD2 PRO 14 -5.667 3.019 -14.738 110 2HD PRO 14 HD1 PRO 14 -6.338 3.225 -13.129 111 H ARG 15 HN ARG 15 -5.167 -0.873 -14.384 112 HA ARG 15 HA ARG 15 -5.808 -2.922 -16.383 113 1HB ARG 15 HB2 ARG 15 -4.708 -1.053 -17.618 114 2HB ARG 15 HB1 ARG 15 -3.317 -1.182 -16.546 115 1HG ARG 15 HG2 ARG 15 -2.892 -3.476 -17.300 116 2HG ARG 15 HG1 ARG 15 -4.356 -3.460 -18.282 117 1HD ARG 15 HD2 ARG 15 -3.416 -1.634 -19.654 118 2HD ARG 15 HD1 ARG 15 -1.958 -1.653 -18.670 119 HE ARG 15 HE ARG 15 -1.256 -3.551 -19.809 120 1HH1 ARG 15 HH21 ARG 15 -4.664 -3.059 -20.256 121 2HH1 ARG 15 HH22 ARG 15 -4.835 -4.333 -21.418 122 1HH2 ARG 15 HH11 ARG 15 -1.484 -5.223 -21.335 123 2HH2 ARG 15 HH12 ARG 15 -3.036 -5.556 -22.027 124 H LEU 16 HN LEU 16 -4.872 -4.836 -15.915 125 HA LEU 16 HA LEU 16 -2.988 -5.018 -13.606 126 1HB LEU 16 HB2 LEU 16 -5.262 -5.754 -13.011 127 2HB LEU 16 HB1 LEU 16 -5.298 -6.849 -14.377 128 HG LEU 16 HG LEU 16 -2.930 -7.248 -12.551 129 1HD1 LEU 16 HD11 LEU 16 -5.731 -7.874 -11.562 130 2HD1 LEU 16 HD12 LEU 16 -4.594 -6.731 -10.848 131 3HD1 LEU 16 HD13 LEU 16 -4.240 -8.454 -10.820 132 1HD2 LEU 16 HD21 LEU 16 -3.430 -9.612 -12.882 133 2HD2 LEU 16 HD22 LEU 16 -3.537 -8.811 -14.443 134 3HD2 LEU 16 HD23 LEU 16 -5.006 -9.236 -13.574 135 H GLY 17 HN GLY 17 -1.282 -6.334 -13.832 136 1HA GLY 17 HA2 GLY 17 -0.881 -7.792 -16.414 137 2HA GLY 17 HA1 GLY 17 0.389 -6.908 -15.575 138 H ALA 18 HN ALA 18 1.003 -9.405 -16.091 139 HA ALA 18 HA ALA 18 1.407 -10.616 -13.526 140 1HB ALA 18 HB1 ALA 18 -0.929 -11.319 -13.877 141 2HB ALA 18 HB2 ALA 18 0.159 -12.704 -13.955 142 3HB ALA 18 HB3 ALA 18 -0.494 -12.006 -15.441 143 H ARG 19 HN ARG 19 3.583 -10.788 -14.059 144 HA ARG 19 HA ARG 19 4.397 -11.809 -16.621 145 1HB ARG 19 HB2 ARG 19 5.789 -10.160 -15.329 146 2HB ARG 19 HB1 ARG 19 6.033 -11.367 -14.077 147 1HG ARG 19 HG2 ARG 19 7.198 -12.820 -15.736 148 2HG ARG 19 HG1 ARG 19 6.970 -11.572 -16.962 149 1HD ARG 19 HD2 ARG 19 8.476 -11.195 -14.347 150 2HD ARG 19 HD1 ARG 19 9.229 -11.462 -15.919 151 HE ARG 19 HE ARG 19 7.497 -9.273 -16.178 152 1HH1 ARG 19 HH21 ARG 19 10.390 -10.168 -14.477 153 2HH1 ARG 19 HH22 ARG 19 10.998 -8.548 -14.393 154 1HH2 ARG 19 HH11 ARG 19 8.295 -7.162 -16.060 155 2HH2 ARG 19 HH12 ARG 19 9.814 -6.850 -15.288 156 H LEU 20 HN LEU 20 4.968 -13.794 -17.179 157 HA LEU 20 HA LEU 20 4.915 -15.990 -15.171 158 1HB LEU 20 HB2 LEU 20 3.750 -15.991 -17.974 159 2HB LEU 20 HB1 LEU 20 3.748 -17.355 -16.860 160 HG LEU 20 HG LEU 20 2.374 -14.687 -16.331 161 1HD1 LEU 20 HD11 LEU 20 0.271 -15.931 -16.761 162 2HD1 LEU 20 HD12 LEU 20 1.213 -17.357 -17.200 163 3HD1 LEU 20 HD13 LEU 20 1.307 -15.898 -18.186 164 1HD2 LEU 20 HD21 LEU 20 1.193 -16.124 -14.538 165 2HD2 LEU 20 HD22 LEU 20 2.845 -15.698 -14.204 166 3HD2 LEU 20 HD23 LEU 20 2.460 -17.315 -14.788 167 H VAL 21 HN VAL 21 6.317 -17.646 -15.499 168 HA VAL 21 HA VAL 21 8.415 -17.274 -17.574 169 HB VAL 21 HB VAL 21 9.148 -17.007 -15.185 170 1HG1 VAL 21 HG11 VAL 21 7.493 -18.626 -14.210 171 2HG1 VAL 21 HG12 VAL 21 9.142 -18.873 -13.637 172 3HG1 VAL 21 HG13 VAL 21 8.466 -19.948 -14.852 173 1HG2 VAL 21 HG21 VAL 21 10.719 -17.852 -16.925 174 2HG2 VAL 21 HG22 VAL 21 10.252 -19.505 -16.526 175 3HG2 VAL 21 HG23 VAL 21 11.089 -18.512 -15.334 176 H GLN 22 HN GLN 22 8.877 -18.935 -18.894 177 HA GLN 22 HA GLN 22 6.973 -21.067 -19.172 178 1HB GLN 22 HB2 GLN 22 8.155 -19.987 -21.097 179 2HB GLN 22 HB1 GLN 22 9.664 -20.712 -20.550 180 1HG GLN 22 HG2 GLN 22 8.694 -22.971 -20.821 181 2HG GLN 22 HG1 GLN 22 7.162 -22.257 -21.323 182 1HE2 GLN 22 HE21 GLN 22 7.046 -22.750 -23.531 183 2HE2 GLN 22 HE22 GLN 22 8.266 -22.393 -24.655 184 H GLU 23 HN GLU 23 7.135 -23.150 -18.503 185 HA GLU 23 HA GLU 23 9.590 -24.437 -17.779 186 1HB GLU 23 HB2 GLU 23 9.176 -22.917 -15.770 187 2HB GLU 23 HB1 GLU 23 7.694 -23.812 -15.472 188 1HG GLU 23 HG2 GLU 23 9.405 -24.779 -14.056 189 2HG GLU 23 HG1 GLU 23 9.100 -25.937 -15.338 190 H GLY 24 HN GLY 24 8.992 -26.162 -18.973 191 1HA GLY 24 HA2 GLY 24 8.029 -28.211 -19.393 192 2HA GLY 24 HA1 GLY 24 7.097 -28.040 -17.905 193 H ASN 25 HN ASN 25 5.366 -28.998 -19.308 194 HA ASN 25 HA ASN 25 4.244 -27.261 -21.367 195 1HB ASN 25 HB2 ASN 25 3.231 -29.863 -20.163 196 2HB ASN 25 HB1 ASN 25 2.535 -29.050 -21.566 197 1HD2 ASN 25 HD21 ASN 25 4.774 -31.421 -20.663 198 2HD2 ASN 25 HD22 ASN 25 5.666 -31.480 -22.106 199 H GLN 26 HN GLN 26 4.413 -26.370 -18.520 200 HA GLN 26 HA GLN 26 1.612 -25.490 -18.217 201 1HB GLN 26 HB2 GLN 26 1.954 -27.551 -16.790 202 2HB GLN 26 HB1 GLN 26 3.216 -26.689 -15.920 203 1HG GLN 26 HG2 GLN 26 1.150 -26.509 -14.650 204 2HG GLN 26 HG1 GLN 26 1.513 -24.924 -15.309 205 1HE2 GLN 26 HE21 GLN 26 -0.626 -24.111 -15.575 206 2HE2 GLN 26 HE22 GLN 26 -1.793 -24.860 -16.555 207 H LEU 27 HN LEU 27 1.460 -23.433 -17.469 208 HA LEU 27 HA LEU 27 3.944 -21.863 -17.127 209 1HB LEU 27 HB2 LEU 27 1.045 -20.932 -17.250 210 2HB LEU 27 HB1 LEU 27 2.490 -19.933 -17.420 211 HG LEU 27 HG LEU 27 1.605 -22.137 -19.322 212 1HD1 LEU 27 HD11 LEU 27 1.175 -20.285 -20.895 213 2HD1 LEU 27 HD12 LEU 27 1.620 -19.121 -19.647 214 3HD1 LEU 27 HD13 LEU 27 0.191 -20.133 -19.440 215 1HD2 LEU 27 HD21 LEU 27 3.983 -22.099 -19.490 216 2HD2 LEU 27 HD22 LEU 27 4.066 -20.346 -19.315 217 3HD2 LEU 27 HD23 LEU 27 3.459 -21.060 -20.805 218 H HIS 28 HN HIS 28 4.626 -21.140 -15.185 219 HA HIS 28 HA HIS 28 3.206 -21.994 -12.786 220 1HB HIS 28 HB2 HIS 28 5.823 -21.877 -13.268 221 2HB HIS 28 HB1 HIS 28 5.671 -20.215 -12.735 222 HD1 HIS 28 HD1 HIS 28 3.222 -21.194 -10.717 223 HD2 HIS 28 HD2 HIS 28 7.193 -22.459 -10.757 224 HE1 HIS 28 HE1 HIS 28 3.699 -22.116 -8.409 225 HE2 HIS 28 HE2 HIS 28 6.117 -22.893 -8.415 226 H TYR 29 HN TYR 29 1.559 -20.775 -11.991 227 HA TYR 29 HA TYR 29 1.564 -17.828 -12.374 228 1HB TYR 29 HB2 TYR 29 -0.493 -19.053 -13.076 229 2HB TYR 29 HB1 TYR 29 -0.663 -19.695 -11.446 230 HD1 TYR 29 HD1 TYR 29 -1.321 -18.223 -9.556 231 HD2 TYR 29 HD2 TYR 29 -0.935 -16.656 -13.540 232 HE1 TYR 29 HE1 TYR 29 -2.458 -16.138 -8.853 233 HE2 TYR 29 HE2 TYR 29 -2.069 -14.571 -12.827 234 HH TYR 29 HH TYR 29 -3.369 -14.228 -9.539 235 H LEU 30 HN LEU 30 2.693 -16.909 -10.822 236 HA LEU 30 HA LEU 30 2.639 -17.861 -8.035 237 1HB LEU 30 HB2 LEU 30 4.341 -15.986 -9.666 238 2HB LEU 30 HB1 LEU 30 4.363 -15.816 -7.921 239 HG LEU 30 HG LEU 30 6.210 -17.247 -8.753 240 1HD1 LEU 30 HD11 LEU 30 6.152 -18.774 -7.037 241 2HD1 LEU 30 HD12 LEU 30 4.488 -19.260 -7.320 242 3HD1 LEU 30 HD13 LEU 30 4.838 -17.743 -6.496 243 1HD2 LEU 30 HD21 LEU 30 4.060 -19.176 -9.677 244 2HD2 LEU 30 HD22 LEU 30 5.793 -19.366 -9.854 245 3HD2 LEU 30 HD23 LEU 30 4.953 -18.107 -10.753 246 H ALA 31 HN ALA 31 1.778 -16.732 -6.383 247 HA ALA 31 HA ALA 31 -0.232 -14.695 -6.994 248 1HB ALA 31 HB1 ALA 31 -0.864 -14.974 -4.634 249 2HB ALA 31 HB2 ALA 31 0.548 -15.999 -4.365 250 3HB ALA 31 HB3 ALA 31 -0.745 -16.541 -5.435 251 H ASP 32 HN ASP 32 2.791 -14.984 -5.159 252 HA ASP 32 HA ASP 32 2.749 -12.307 -4.116 253 1HB ASP 32 HB2 ASP 32 5.100 -12.790 -3.492 254 2HB ASP 32 HB1 ASP 32 4.005 -14.080 -3.000 255 H ARG 33 HN ARG 33 3.298 -13.488 -7.234 256 HA ARG 33 HA ARG 33 4.987 -11.142 -7.998 257 1HB ARG 33 HB2 ARG 33 5.827 -13.583 -8.376 258 2HB ARG 33 HB1 ARG 33 4.652 -13.641 -9.678 259 1HG ARG 33 HG2 ARG 33 5.707 -11.614 -10.694 260 2HG ARG 33 HG1 ARG 33 6.911 -11.627 -9.411 261 1HD ARG 33 HD2 ARG 33 7.550 -13.968 -10.126 262 2HD ARG 33 HD1 ARG 33 6.483 -13.767 -11.518 263 HE ARG 33 HE ARG 33 8.237 -11.566 -11.428 264 1HH1 ARG 33 HH21 ARG 33 8.281 -14.998 -11.938 265 2HH1 ARG 33 HH22 ARG 33 9.688 -14.963 -12.947 266 1HH2 ARG 33 HH11 ARG 33 10.081 -11.525 -12.739 267 2HH2 ARG 33 HH12 ARG 33 10.705 -13.000 -13.399 268 H ALA 34 HN ALA 34 2.339 -10.591 -7.657 269 HA ALA 34 HA ALA 34 1.575 -9.707 -10.284 270 1HB ALA 34 HB1 ALA 34 0.777 -12.039 -10.439 271 2HB ALA 34 HB2 ALA 34 -0.573 -10.907 -10.428 272 3HB ALA 34 HB3 ALA 34 -0.172 -11.816 -8.970 273 H SER 35 HN SER 35 0.648 -7.792 -9.987 274 HA SER 35 HA SER 35 -0.148 -6.849 -7.386 275 1HB SER 35 HB2 SER 35 -0.603 -4.753 -8.537 276 2HB SER 35 HB1 SER 35 0.922 -5.417 -9.124 277 HG SER 35 HG SER 35 -0.002 -5.911 -10.998 278 H ILE 36 HN ILE 36 -2.356 -5.777 -7.096 279 HA ILE 36 HA ILE 36 -4.565 -7.226 -8.476 280 HB ILE 36 HB ILE 36 -5.757 -7.151 -6.288 281 1HG1 ILE 36 HG12 ILE 36 -3.041 -6.350 -5.136 282 2HG1 ILE 36 HG11 ILE 36 -4.393 -5.241 -5.311 283 1HG2 ILE 36 HG21 ILE 36 -4.539 -9.181 -7.016 284 2HG2 ILE 36 HG22 ILE 36 -4.513 -9.017 -5.265 285 3HG2 ILE 36 HG23 ILE 36 -3.085 -8.593 -6.211 286 1HD1 ILE 36 HD11 ILE 36 -4.353 -6.076 -3.033 287 2HD1 ILE 36 HD12 ILE 36 -4.358 -7.743 -3.605 288 3HD1 ILE 36 HD13 ILE 36 -5.774 -6.720 -3.857 289 H THR 37 HN THR 37 -6.504 -6.038 -8.686 290 HA THR 37 HA THR 37 -6.362 -3.115 -8.188 291 HB THR 37 HB THR 37 -7.307 -2.721 -10.455 292 HG1 THR 37 HG1 THR 37 -8.114 -4.440 -11.330 293 1HG2 THR 37 HG21 THR 37 -4.698 -4.271 -10.495 294 2HG2 THR 37 HG22 THR 37 -4.854 -2.569 -10.068 295 3HG2 THR 37 HG23 THR 37 -5.232 -3.106 -11.704 296 H GLY 38 HN GLY 38 -8.285 -2.283 -7.481 297 1HA GLY 38 HA2 GLY 38 -10.443 -2.234 -6.678 298 2HA GLY 38 HA1 GLY 38 -10.857 -3.190 -8.097 299 H LYS 39 HN LYS 39 -10.429 -3.227 -4.686 300 HA LYS 39 HA LYS 39 -9.978 -5.959 -4.173 301 1HB LYS 39 HB2 LYS 39 -11.602 -3.931 -2.603 302 2HB LYS 39 HB1 LYS 39 -11.064 -5.490 -1.974 303 1HG LYS 39 HG2 LYS 39 -8.713 -4.836 -2.333 304 2HG LYS 39 HG1 LYS 39 -9.239 -3.276 -2.971 305 1HD LYS 39 HD2 LYS 39 -10.299 -2.735 -0.810 306 2HD LYS 39 HD1 LYS 39 -9.800 -4.297 -0.164 307 1HE LYS 39 HE2 LYS 39 -8.235 -2.527 0.540 308 2HE LYS 39 HE1 LYS 39 -7.427 -3.683 -0.518 309 1HZ LYS 39 HZ1 LYS 39 -6.955 -1.359 -1.100 310 2HZ LYS 39 HZ2 LYS 39 -8.606 -1.107 -1.412 311 3HZ LYS 39 HZ3 LYS 39 -7.715 -2.197 -2.364 312 H PHE 40 HN PHE 40 -11.152 -7.719 -4.611 313 HA PHE 40 HA PHE 40 -13.980 -7.547 -5.472 314 1HB PHE 40 HB2 PHE 40 -12.072 -9.909 -5.317 315 2HB PHE 40 HB1 PHE 40 -13.605 -9.820 -6.187 316 HD1 PHE 40 HD1 PHE 40 -10.061 -8.761 -6.163 317 HD2 PHE 40 HD2 PHE 40 -13.790 -8.518 -8.306 318 HE1 PHE 40 HE1 PHE 40 -8.869 -7.869 -8.140 319 HE2 PHE 40 HE2 PHE 40 -12.587 -7.628 -10.281 320 HZ PHE 40 HZ PHE 40 -10.131 -7.303 -10.200 321 H SER 41 HN SER 41 -15.600 -8.263 -4.354 322 HA SER 41 HA SER 41 -15.441 -8.678 -1.535 323 1HB SER 41 HB2 SER 41 -17.719 -9.170 -3.469 324 2HB SER 41 HB1 SER 41 -17.859 -9.102 -1.713 325 HG SER 41 HG SER 41 -18.198 -7.113 -3.181 326 H ASP 42 HN ASP 42 -16.513 -10.582 -0.523 327 HA ASP 42 HA ASP 42 -15.121 -13.008 -1.151 328 1HB ASP 42 HB2 ASP 42 -17.489 -12.483 0.678 329 2HB ASP 42 HB1 ASP 42 -16.546 -13.974 0.636 330 H ALA 43 HN ALA 43 -18.099 -11.650 -2.294 331 HA ALA 43 HA ALA 43 -19.086 -14.266 -3.246 332 1HB ALA 43 HB1 ALA 43 -20.708 -12.652 -2.319 333 2HB ALA 43 HB2 ALA 43 -21.045 -12.995 -4.016 334 3HB ALA 43 HB3 ALA 43 -20.255 -11.485 -3.561 335 H GLU 44 HN GLU 44 -17.016 -11.825 -4.291 336 HA GLU 44 HA GLU 44 -17.414 -12.343 -7.225 337 1HB GLU 44 HB2 GLU 44 -16.026 -10.093 -5.730 338 2HB GLU 44 HB1 GLU 44 -16.092 -10.262 -7.488 339 1HG GLU 44 HG2 GLU 44 -18.551 -10.141 -7.416 340 2HG GLU 44 HG1 GLU 44 -18.508 -10.003 -5.660 341 H CYS 45 HN CYS 45 -15.129 -12.689 -4.568 342 HA CYS 45 HA CYS 45 -12.838 -13.124 -6.234 343 1HB CYS 45 HB2 CYS 45 -13.265 -12.832 -3.459 344 2HB CYS 45 HB1 CYS 45 -12.696 -14.488 -3.599 345 HG CYS 45 HG CYS 45 -10.899 -12.620 -5.180 346 HA PRO 46 HA PRO 46 -13.908 -17.854 -5.546 347 1HB PRO 46 HB2 PRO 46 -16.913 -17.706 -5.359 348 2HB PRO 46 HB1 PRO 46 -15.786 -18.738 -4.451 349 1HG PRO 46 HG2 PRO 46 -16.937 -16.676 -3.251 350 2HG PRO 46 HG1 PRO 46 -15.210 -17.005 -2.962 351 1HD PRO 46 HD2 PRO 46 -16.417 -14.949 -4.851 352 2HD PRO 46 HD1 PRO 46 -15.113 -14.738 -3.669 353 H LYS 47 HN LYS 47 -16.669 -16.128 -7.023 354 HA LYS 47 HA LYS 47 -17.078 -17.788 -9.198 355 1HB LYS 47 HB2 LYS 47 -17.439 -14.779 -9.110 356 2HB LYS 47 HB1 LYS 47 -18.211 -15.863 -10.262 357 1HG LYS 47 HG2 LYS 47 -18.623 -16.066 -7.249 358 2HG LYS 47 HG1 LYS 47 -19.687 -15.150 -8.307 359 1HD LYS 47 HD2 LYS 47 -20.187 -17.238 -9.578 360 2HD LYS 47 HD1 LYS 47 -19.175 -18.149 -8.469 361 1HE LYS 47 HE2 LYS 47 -20.598 -17.483 -6.579 362 2HE LYS 47 HE1 LYS 47 -21.637 -16.585 -7.688 363 1HZ LYS 47 HZ1 LYS 47 -21.518 -19.402 -7.187 364 2HZ LYS 47 HZ2 LYS 47 -21.411 -19.037 -8.842 365 3HZ LYS 47 HZ3 LYS 47 -22.738 -18.489 -7.934 366 H LEU 48 HN LEU 48 -14.735 -15.176 -8.863 367 HA LEU 48 HA LEU 48 -13.916 -15.353 -11.622 368 1HB LEU 48 HB2 LEU 48 -13.703 -13.296 -10.048 369 2HB LEU 48 HB1 LEU 48 -12.325 -14.116 -9.342 370 HG LEU 48 HG LEU 48 -11.496 -14.309 -11.890 371 1HD1 LEU 48 HD11 LEU 48 -13.602 -13.383 -12.873 372 2HD1 LEU 48 HD12 LEU 48 -12.193 -12.436 -13.294 373 3HD1 LEU 48 HD13 LEU 48 -13.297 -11.862 -12.045 374 1HD2 LEU 48 HD21 LEU 48 -10.289 -13.032 -10.175 375 2HD2 LEU 48 HD22 LEU 48 -11.418 -11.688 -10.348 376 3HD2 LEU 48 HD23 LEU 48 -10.339 -12.112 -11.678 377 H ASP 49 HN ASP 49 -12.835 -16.679 -8.534 378 HA ASP 49 HA ASP 49 -10.355 -17.715 -9.387 379 1HB ASP 49 HB2 ASP 49 -11.031 -17.448 -7.002 380 2HB ASP 49 HB1 ASP 49 -12.169 -18.777 -7.193 381 H VAL 50 HN VAL 50 -13.557 -18.833 -10.032 382 HA VAL 50 HA VAL 50 -12.565 -21.519 -10.831 383 HB VAL 50 HB VAL 50 -14.998 -22.087 -11.138 384 1HG1 VAL 50 HG11 VAL 50 -13.864 -22.534 -8.993 385 2HG1 VAL 50 HG12 VAL 50 -15.546 -22.087 -8.722 386 3HG1 VAL 50 HG13 VAL 50 -14.263 -20.910 -8.433 387 1HG2 VAL 50 HG21 VAL 50 -15.806 -19.791 -11.630 388 2HG2 VAL 50 HG22 VAL 50 -15.420 -19.323 -9.983 389 3HG2 VAL 50 HG23 VAL 50 -16.686 -20.499 -10.281 390 H VAL 51 HN VAL 51 -13.051 -18.483 -12.142 391 HA VAL 51 HA VAL 51 -13.605 -19.453 -14.891 392 HB VAL 51 HB VAL 51 -13.405 -16.686 -13.624 393 1HG1 VAL 51 HG11 VAL 51 -13.567 -17.389 -16.587 394 2HG1 VAL 51 HG12 VAL 51 -12.375 -16.355 -15.797 395 3HG1 VAL 51 HG13 VAL 51 -14.037 -15.808 -15.958 396 1HG2 VAL 51 HG21 VAL 51 -15.664 -18.050 -15.147 397 2HG2 VAL 51 HG22 VAL 51 -15.747 -16.497 -14.320 398 3HG2 VAL 51 HG23 VAL 51 -15.543 -17.977 -13.393 399 H PHE 52 HN PHE 52 -10.931 -18.382 -12.864 400 HA PHE 52 HA PHE 52 -9.129 -17.677 -14.939 401 1HB PHE 52 HB2 PHE 52 -9.043 -17.859 -12.057 402 2HB PHE 52 HB1 PHE 52 -7.667 -18.766 -12.645 403 HD1 PHE 52 HD1 PHE 52 -9.010 -15.415 -12.099 404 HD2 PHE 52 HD2 PHE 52 -6.042 -17.650 -14.276 405 HE1 PHE 52 HE1 PHE 52 -7.742 -13.328 -12.526 406 HE2 PHE 52 HE2 PHE 52 -4.785 -15.557 -14.697 407 HZ PHE 52 HZ PHE 52 -5.631 -13.400 -13.821 408 HA PRO 53 HA PRO 53 -7.537 -22.348 -14.558 409 1HB PRO 53 HB2 PRO 53 -10.272 -23.553 -14.042 410 2HB PRO 53 HB1 PRO 53 -8.680 -24.118 -13.479 411 1HG PRO 53 HG2 PRO 53 -10.271 -22.869 -11.780 412 2HG PRO 53 HG1 PRO 53 -8.543 -22.429 -11.828 413 1HD PRO 53 HD2 PRO 53 -10.858 -20.961 -13.094 414 2HD PRO 53 HD1 PRO 53 -9.525 -20.296 -12.157 415 H HIS 54 HN HIS 54 -10.809 -21.578 -15.700 416 HA HIS 54 HA HIS 54 -10.819 -23.233 -17.999 417 1HB HIS 54 HB2 HIS 54 -12.860 -22.180 -17.031 418 2HB HIS 54 HB1 HIS 54 -12.294 -20.606 -17.586 419 HD1 HIS 54 HD1 HIS 54 -12.472 -20.091 -20.102 420 HD2 HIS 54 HD2 HIS 54 -13.679 -23.963 -19.143 421 HE1 HIS 54 HE1 HIS 54 -13.542 -21.044 -22.190 422 HE2 HIS 54 HE2 HIS 54 -14.283 -23.406 -21.620 423 H PHE 55 HN PHE 55 -9.834 -19.870 -17.497 424 HA PHE 55 HA PHE 55 -9.175 -19.265 -20.221 425 1HB PHE 55 HB2 PHE 55 -9.482 -17.582 -18.377 426 2HB PHE 55 HB1 PHE 55 -7.961 -18.113 -17.683 427 HD1 PHE 55 HD1 PHE 55 -9.558 -16.412 -20.565 428 HD2 PHE 55 HD2 PHE 55 -5.811 -17.584 -18.807 429 HE1 PHE 55 HE1 PHE 55 -8.355 -14.955 -22.154 430 HE2 PHE 55 HE2 PHE 55 -4.607 -16.113 -20.403 431 HZ PHE 55 HZ PHE 55 -5.880 -14.797 -22.075 432 H ILE 56 HN ILE 56 -7.226 -20.577 -17.520 433 HA ILE 56 HA ILE 56 -4.814 -20.599 -19.068 434 HB ILE 56 HB ILE 56 -5.522 -22.194 -16.573 435 1HG1 ILE 56 HG12 ILE 56 -4.003 -19.548 -16.778 436 2HG1 ILE 56 HG11 ILE 56 -5.712 -19.642 -16.381 437 1HG2 ILE 56 HG21 ILE 56 -2.835 -21.519 -17.841 438 2HG2 ILE 56 HG22 ILE 56 -3.544 -23.127 -17.694 439 3HG2 ILE 56 HG23 ILE 56 -3.027 -22.268 -16.260 440 1HD1 ILE 56 HD11 ILE 56 -5.190 -21.050 -14.417 441 2HD1 ILE 56 HD12 ILE 56 -4.390 -19.482 -14.329 442 3HD1 ILE 56 HD13 ILE 56 -3.472 -20.915 -14.788 443 H SER 57 HN SER 57 -7.489 -22.831 -18.655 444 HA SER 57 HA SER 57 -6.244 -25.176 -19.600 445 1HB SER 57 HB2 SER 57 -9.136 -24.333 -19.948 446 2HB SER 57 HB1 SER 57 -8.513 -25.975 -20.080 447 HG SER 57 HG SER 57 -7.742 -25.641 -17.867 448 H GLN 58 HN GLN 58 -7.918 -22.575 -21.357 449 HA GLN 58 HA GLN 58 -7.632 -23.772 -23.957 450 1HB GLN 58 HB2 GLN 58 -8.438 -21.058 -22.883 451 2HB GLN 58 HB1 GLN 58 -8.026 -21.170 -24.593 452 1HG GLN 58 HG2 GLN 58 -10.450 -21.462 -24.238 453 2HG GLN 58 HG1 GLN 58 -9.729 -22.916 -24.917 454 1HE2 GLN 58 HE21 GLN 58 -9.763 -24.843 -23.632 455 2HE2 GLN 58 HE22 GLN 58 -10.530 -24.924 -22.121 456 H ILE 59 HN ILE 59 -5.586 -21.640 -22.010 457 HA ILE 59 HA ILE 59 -3.834 -20.842 -24.092 458 HB ILE 59 HB ILE 59 -3.369 -21.200 -21.106 459 1HG1 ILE 59 HG12 ILE 59 -5.101 -19.449 -22.045 460 2HG1 ILE 59 HG11 ILE 59 -3.962 -18.913 -20.831 461 1HG2 ILE 59 HG21 ILE 59 -1.572 -19.919 -23.206 462 2HG2 ILE 59 HG22 ILE 59 -1.161 -21.220 -22.090 463 3HG2 ILE 59 HG23 ILE 59 -1.406 -19.586 -21.482 464 1HD1 ILE 59 HD11 ILE 59 -2.701 -17.691 -22.403 465 2HD1 ILE 59 HD12 ILE 59 -4.374 -17.402 -22.871 466 3HD1 ILE 59 HD13 ILE 59 -3.396 -18.536 -23.782 467 H GLU 60 HN GLU 60 -3.717 -23.612 -21.834 468 HA GLU 60 HA GLU 60 -1.285 -24.684 -22.695 469 1HB GLU 60 HB2 GLU 60 -2.853 -25.367 -20.711 470 2HB GLU 60 HB1 GLU 60 -3.615 -26.456 -21.860 471 1HG GLU 60 HG2 GLU 60 -0.663 -26.430 -21.102 472 2HG GLU 60 HG1 GLU 60 -1.851 -27.604 -20.565 473 H SER 61 HN SER 61 -4.548 -25.105 -24.003 474 HA SER 61 HA SER 61 -3.703 -27.006 -26.022 475 1HB SER 61 HB2 SER 61 -6.307 -25.439 -25.845 476 2HB SER 61 HB1 SER 61 -6.014 -26.850 -26.858 477 HG SER 61 HG SER 61 -5.419 -27.842 -24.700 478 H MET 62 HN MET 62 -3.989 -23.546 -25.811 479 HA MET 62 HA MET 62 -4.058 -22.912 -28.577 480 1HB MET 62 HB2 MET 62 -4.386 -21.273 -26.714 481 2HB MET 62 HB1 MET 62 -2.672 -21.370 -26.360 482 1HG MET 62 HG2 MET 62 -2.136 -20.564 -28.632 483 2HG MET 62 HG1 MET 62 -3.849 -20.479 -29.009 484 1HE MET 62 HE1 MET 62 -5.445 -18.844 -28.285 485 2HE MET 62 HE2 MET 62 -5.186 -17.465 -27.230 486 3HE MET 62 HE3 MET 62 -5.350 -19.070 -26.535 487 H LEU 63 HN LEU 63 -1.355 -23.644 -26.403 488 HA LEU 63 HA LEU 63 0.708 -23.050 -28.239 489 1HB LEU 63 HB2 LEU 63 0.571 -24.961 -25.878 490 2HB LEU 63 HB1 LEU 63 2.074 -24.686 -26.748 491 HG LEU 63 HG LEU 63 0.547 -22.278 -25.671 492 1HD1 LEU 63 HD11 LEU 63 0.697 -23.787 -23.738 493 2HD1 LEU 63 HD12 LEU 63 1.787 -22.423 -23.535 494 3HD1 LEU 63 HD13 LEU 63 2.422 -23.999 -24.015 495 1HD2 LEU 63 HD21 LEU 63 2.775 -21.288 -25.556 496 2HD2 LEU 63 HD22 LEU 63 2.581 -22.018 -27.139 497 3HD2 LEU 63 HD23 LEU 63 3.535 -22.836 -25.918 498 H THR 64 HN THR 64 -1.327 -25.859 -27.791 499 HA THR 64 HA THR 64 0.184 -27.505 -29.689 500 HB THR 64 HB THR 64 -1.503 -29.210 -29.198 501 HG1 THR 64 HG1 THR 64 -2.731 -27.063 -27.822 502 1HG2 THR 64 HG21 THR 64 -1.099 -29.432 -26.780 503 2HG2 THR 64 HG22 THR 64 -0.610 -27.740 -26.697 504 3HG2 THR 64 HG23 THR 64 0.367 -28.897 -27.602 505 H THR 65 HN THR 65 -3.229 -26.370 -29.506 506 HA THR 65 HA THR 65 -3.690 -26.916 -32.315 507 HB THR 65 HB THR 65 -5.933 -26.011 -31.877 508 HG1 THR 65 HG1 THR 65 -4.599 -25.049 -29.620 509 1HG2 THR 65 HG21 THR 65 -5.441 -28.329 -31.182 510 2HG2 THR 65 HG22 THR 65 -6.598 -27.569 -30.090 511 3HG2 THR 65 HG23 THR 65 -4.913 -27.744 -29.604 512 H GLY 66 HN GLY 66 -3.196 -23.968 -30.377 513 1HA GLY 66 HA2 GLY 66 -3.656 -22.171 -32.619 514 2HA GLY 66 HA1 GLY 66 -3.103 -21.732 -31.008 515 H GLU 67 HN GLU 67 -1.071 -23.975 -31.397 516 HA GLU 67 HA GLU 67 1.214 -23.951 -31.656 517 1HB GLU 67 HB2 GLU 67 0.265 -23.282 -34.460 518 2HB GLU 67 HB1 GLU 67 1.871 -23.905 -34.067 519 1HG GLU 67 HG2 GLU 67 0.865 -25.924 -33.085 520 2HG GLU 67 HG1 GLU 67 -0.744 -25.308 -33.455 521 H LEU 68 HN LEU 68 1.547 -22.028 -30.330 522 HA LEU 68 HA LEU 68 1.810 -19.420 -31.589 523 1HB LEU 68 HB2 LEU 68 2.729 -20.394 -28.877 524 2HB LEU 68 HB1 LEU 68 2.592 -18.716 -29.376 525 HG LEU 68 HG LEU 68 0.300 -20.704 -29.115 526 1HD1 LEU 68 HD11 LEU 68 -0.377 -19.291 -27.198 527 2HD1 LEU 68 HD12 LEU 68 1.058 -18.291 -27.427 528 3HD1 LEU 68 HD13 LEU 68 1.226 -19.978 -26.949 529 1HD2 LEU 68 HD21 LEU 68 -0.439 -19.220 -30.803 530 2HD2 LEU 68 HD22 LEU 68 0.386 -17.828 -30.102 531 3HD2 LEU 68 HD23 LEU 68 -1.070 -18.465 -29.351 532 H ASN 69 HN ASN 69 3.747 -18.221 -31.646 533 HA ASN 69 HA ASN 69 6.286 -19.754 -31.834 534 1HB ASN 69 HB2 ASN 69 5.204 -17.797 -33.879 535 2HB ASN 69 HB1 ASN 69 6.773 -18.602 -33.938 536 1HD2 ASN 69 HD21 ASN 69 6.410 -21.194 -33.542 537 2HD2 ASN 69 HD22 ASN 69 5.209 -21.864 -34.538 538 HA PRO 70 HA PRO 70 6.686 -15.863 -29.165 539 1HB PRO 70 HB2 PRO 70 8.894 -17.682 -28.179 540 2HB PRO 70 HB1 PRO 70 7.808 -16.632 -27.240 541 1HG PRO 70 HG2 PRO 70 7.397 -19.244 -27.264 542 2HG PRO 70 HG1 PRO 70 6.014 -18.133 -27.407 543 1HD PRO 70 HD2 PRO 70 7.364 -19.730 -29.598 544 2HD PRO 70 HD1 PRO 70 5.630 -19.397 -29.363 545 H ARG 71 HN ARG 71 8.587 -17.570 -31.462 546 HA ARG 71 HA ARG 71 10.916 -15.896 -31.361 547 1HB ARG 71 HB2 ARG 71 10.885 -18.216 -32.290 548 2HB ARG 71 HB1 ARG 71 9.896 -17.650 -33.633 549 1HG ARG 71 HG2 ARG 71 11.691 -16.145 -34.369 550 2HG ARG 71 HG1 ARG 71 12.668 -16.580 -32.968 551 1HD ARG 71 HD2 ARG 71 11.765 -18.499 -35.140 552 2HD ARG 71 HD1 ARG 71 13.375 -17.794 -35.009 553 HE ARG 71 HE ARG 71 12.767 -19.056 -32.565 554 1HH1 ARG 71 HH21 ARG 71 13.377 -19.816 -35.899 555 2HH1 ARG 71 HH22 ARG 71 14.016 -21.389 -35.560 556 1HH2 ARG 71 HH11 ARG 71 13.598 -21.117 -32.131 557 2HH2 ARG 71 HH12 ARG 71 14.140 -22.124 -33.431 558 H HIS 72 HN HIS 72 7.759 -15.477 -32.514 559 HA HIS 72 HA HIS 72 8.501 -12.985 -33.964 560 1HB HIS 72 HB2 HIS 72 8.109 -14.839 -35.623 561 2HB HIS 72 HB1 HIS 72 6.461 -14.989 -35.018 562 HD1 HIS 72 HD1 HIS 72 4.799 -13.060 -35.592 563 HD2 HIS 72 HD2 HIS 72 8.617 -12.496 -37.167 564 HE1 HIS 72 HE1 HIS 72 4.618 -11.150 -37.245 565 HE2 HIS 72 HE2 HIS 72 6.938 -10.794 -38.214 566 H ALA 73 HN ALA 73 7.071 -11.319 -33.789 567 HA ALA 73 HA ALA 73 5.457 -11.109 -31.535 568 1HB ALA 73 HB1 ALA 73 4.598 -9.035 -32.549 569 2HB ALA 73 HB2 ALA 73 5.254 -9.523 -34.112 570 3HB ALA 73 HB3 ALA 73 6.342 -9.171 -32.771 571 H GLN 74 HN GLN 74 3.257 -11.391 -31.143 572 HA GLN 74 HA GLN 74 1.355 -11.936 -33.248 573 1HB GLN 74 HB2 GLN 74 2.586 -14.141 -32.957 574 2HB GLN 74 HB1 GLN 74 2.039 -14.169 -31.287 575 1HG GLN 74 HG2 GLN 74 0.514 -15.528 -32.607 576 2HG GLN 74 HG1 GLN 74 -0.344 -14.075 -32.123 577 1HE2 GLN 74 HE21 GLN 74 1.795 -15.092 -34.861 578 2HE2 GLN 74 HE22 GLN 74 0.830 -14.378 -36.061 579 H CYS 75 HN CYS 75 -0.726 -11.551 -32.528 580 HA CYS 75 HA CYS 75 -1.158 -11.086 -29.627 581 1HB CYS 75 HB2 CYS 75 -2.019 -9.307 -31.918 582 2HB CYS 75 HB1 CYS 75 -2.485 -9.091 -30.230 583 HG CYS 75 HG CYS 75 -0.367 -7.846 -29.989 584 H VAL 76 HN VAL 76 -3.186 -11.644 -28.893 585 HA VAL 76 HA VAL 76 -5.268 -12.434 -30.799 586 HB VAL 76 HB VAL 76 -3.965 -14.499 -30.487 587 1HG1 VAL 76 HG11 VAL 76 -4.629 -14.243 -27.529 588 2HG1 VAL 76 HG12 VAL 76 -3.044 -13.938 -28.236 589 3HG1 VAL 76 HG13 VAL 76 -3.737 -15.555 -28.293 590 1HG2 VAL 76 HG21 VAL 76 -6.603 -14.668 -28.969 591 2HG2 VAL 76 HG22 VAL 76 -5.794 -15.979 -29.818 592 3HG2 VAL 76 HG23 VAL 76 -6.464 -14.626 -30.726 593 H THR 77 HN THR 77 -7.351 -12.417 -29.910 594 HA THR 77 HA THR 77 -7.640 -11.392 -27.114 595 HB THR 77 HB THR 77 -9.485 -9.990 -27.928 596 HG1 THR 77 HG1 THR 77 -10.282 -10.380 -29.813 597 1HG2 THR 77 HG21 THR 77 -7.196 -9.051 -27.862 598 2HG2 THR 77 HG22 THR 77 -8.136 -8.356 -29.184 599 3HG2 THR 77 HG23 THR 77 -6.931 -9.599 -29.519 600 H LEU 78 HN LEU 78 -8.642 -12.896 -25.956 601 HA LEU 78 HA LEU 78 -10.539 -14.802 -27.207 602 1HB LEU 78 HB2 LEU 78 -9.341 -14.788 -24.409 603 2HB LEU 78 HB1 LEU 78 -10.234 -16.103 -25.165 604 HG LEU 78 HG LEU 78 -7.557 -15.000 -26.104 605 1HD1 LEU 78 HD11 LEU 78 -6.666 -17.177 -25.308 606 2HD1 LEU 78 HD12 LEU 78 -8.258 -17.590 -24.679 607 3HD1 LEU 78 HD13 LEU 78 -7.366 -16.229 -24.003 608 1HD2 LEU 78 HD21 LEU 78 -8.596 -15.855 -28.066 609 2HD2 LEU 78 HD22 LEU 78 -9.352 -17.198 -27.209 610 3HD2 LEU 78 HD23 LEU 78 -7.619 -17.203 -27.510 611 H TYR 79 HN TYR 79 -12.583 -15.230 -26.119 612 HA TYR 79 HA TYR 79 -13.598 -13.089 -24.339 613 1HB TYR 79 HB2 TYR 79 -15.009 -14.073 -26.854 614 2HB TYR 79 HB1 TYR 79 -15.604 -12.858 -25.722 615 HD1 TYR 79 HD1 TYR 79 -13.094 -13.581 -28.354 616 HD2 TYR 79 HD2 TYR 79 -14.629 -10.585 -25.675 617 HE1 TYR 79 HE1 TYR 79 -11.844 -11.833 -29.587 618 HE2 TYR 79 HE2 TYR 79 -13.376 -8.844 -26.916 619 HH TYR 79 HH TYR 79 -11.905 -8.435 -28.528 620 H HIS 80 HN HIS 80 -14.527 -14.050 -22.617 621 HA HIS 80 HA HIS 80 -16.211 -16.421 -22.930 622 1HB HIS 80 HB2 HIS 80 -13.712 -16.470 -21.196 623 2HB HIS 80 HB1 HIS 80 -14.957 -17.720 -21.224 624 HD1 HIS 80 HD1 HIS 80 -15.330 -18.900 -23.639 625 HD2 HIS 80 HD2 HIS 80 -11.782 -16.762 -23.177 626 HE1 HIS 80 HE1 HIS 80 -13.790 -19.658 -25.501 627 HE2 HIS 80 HE2 HIS 80 -11.622 -18.364 -25.233 628 H ASN 81 HN ASN 81 -17.879 -16.324 -21.456 629 HA ASN 81 HA ASN 81 -19.237 -15.483 -19.806 630 1HB ASN 81 HB2 ASN 81 -16.626 -15.264 -18.273 631 2HB ASN 81 HB1 ASN 81 -18.246 -15.347 -17.581 632 1HD2 ASN 81 HD21 ASN 81 -15.632 -17.258 -17.934 633 2HD2 ASN 81 HD22 ASN 81 -16.378 -18.764 -18.173 634 H GLY 82 HN GLY 82 -17.876 -13.589 -21.701 635 1HA GLY 82 HA2 GLY 82 -18.280 -11.322 -22.076 636 2HA GLY 82 HA1 GLY 82 -18.699 -11.105 -20.382 637 H PHE 83 HN PHE 83 -16.116 -12.554 -19.609 638 HA PHE 83 HA PHE 83 -14.453 -10.253 -19.304 639 1HB PHE 83 HB2 PHE 83 -14.156 -13.226 -18.824 640 2HB PHE 83 HB1 PHE 83 -12.741 -12.199 -18.672 641 HD1 PHE 83 HD1 PHE 83 -12.358 -11.084 -16.561 642 HD2 PHE 83 HD2 PHE 83 -16.310 -12.475 -17.547 643 HE1 PHE 83 HE1 PHE 83 -13.150 -10.461 -14.304 644 HE2 PHE 83 HE2 PHE 83 -17.092 -11.841 -15.288 645 HZ PHE 83 HZ PHE 83 -15.514 -10.834 -13.666 646 H THR 84 HN THR 84 -12.539 -9.692 -20.329 647 HA THR 84 HA THR 84 -11.740 -11.163 -22.774 648 HB THR 84 HB THR 84 -12.218 -8.159 -22.639 649 HG1 THR 84 HG1 THR 84 -14.043 -9.803 -22.726 650 1HG2 THR 84 HG21 THR 84 -11.854 -8.284 -25.087 651 2HG2 THR 84 HG22 THR 84 -11.475 -9.998 -24.940 652 3HG2 THR 84 HG23 THR 84 -10.420 -8.793 -24.203 653 H CYS 85 HN CYS 85 -9.727 -11.759 -22.157 654 HA CYS 85 HA CYS 85 -7.975 -9.852 -20.733 655 1HB CYS 85 HB2 CYS 85 -8.124 -12.145 -19.833 656 2HB CYS 85 HB1 CYS 85 -7.574 -12.794 -21.379 657 HG CYS 85 HG CYS 85 -5.553 -12.412 -19.607 658 H GLU 86 HN GLU 86 -6.121 -8.964 -21.775 659 HA GLU 86 HA GLU 86 -5.878 -9.497 -24.662 660 1HB GLU 86 HB2 GLU 86 -6.061 -7.140 -23.843 661 2HB GLU 86 HB1 GLU 86 -4.568 -7.355 -22.931 662 1HG GLU 86 HG2 GLU 86 -3.340 -7.808 -25.027 663 2HG GLU 86 HG1 GLU 86 -4.834 -7.652 -25.945 664 H ALA 87 HN ALA 87 -4.115 -10.565 -25.464 665 HA ALA 87 HA ALA 87 -1.778 -11.123 -23.704 666 1HB ALA 87 HB1 ALA 87 -3.270 -13.081 -23.661 667 2HB ALA 87 HB2 ALA 87 -1.774 -13.445 -24.520 668 3HB ALA 87 HB3 ALA 87 -3.259 -13.138 -25.423 669 H ASP 88 HN ASP 88 0.143 -10.816 -24.756 670 HA ASP 88 HA ASP 88 0.262 -11.031 -27.671 671 1HB ASP 88 HB2 ASP 88 1.198 -8.488 -26.281 672 2HB ASP 88 HB1 ASP 88 1.133 -8.805 -28.016 673 H THR 89 HN THR 89 2.331 -11.643 -28.391 674 HA THR 89 HA THR 89 4.220 -12.437 -26.283 675 HB THR 89 HB THR 89 5.303 -13.720 -28.118 676 HG1 THR 89 HG1 THR 89 4.185 -13.737 -30.126 677 1HG2 THR 89 HG21 THR 89 3.472 -14.728 -26.801 678 2HG2 THR 89 HG22 THR 89 3.425 -15.290 -28.474 679 3HG2 THR 89 HG23 THR 89 2.289 -14.058 -27.928 680 H LEU 90 HN LEU 90 4.094 -10.363 -29.191 681 HA LEU 90 HA LEU 90 5.483 -8.810 -30.042 682 1HB LEU 90 HB2 LEU 90 5.869 -8.504 -27.056 683 2HB LEU 90 HB1 LEU 90 6.963 -7.604 -28.086 684 HG LEU 90 HG LEU 90 5.038 -6.543 -29.230 685 1HD1 LEU 90 HD11 LEU 90 3.348 -8.269 -28.982 686 2HD1 LEU 90 HD12 LEU 90 2.764 -6.818 -28.188 687 3HD1 LEU 90 HD13 LEU 90 3.416 -8.145 -27.227 688 1HD2 LEU 90 HD21 LEU 90 4.946 -6.323 -26.198 689 2HD2 LEU 90 HD22 LEU 90 4.329 -5.120 -27.334 690 3HD2 LEU 90 HD23 LEU 90 6.059 -5.453 -27.257 691 H GLY 91 HN GLY 91 6.423 -11.658 -29.705 692 1HA GLY 91 HA2 GLY 91 8.294 -12.745 -30.546 693 2HA GLY 91 HA1 GLY 91 9.197 -11.233 -30.520 694 H SER 92 HN SER 92 7.498 -11.820 -27.644 695 HA SER 92 HA SER 92 9.749 -11.869 -25.986 696 1HB SER 92 HB2 SER 92 8.107 -12.685 -24.225 697 2HB SER 92 HB1 SER 92 7.607 -11.239 -25.074 698 HG SER 92 HG SER 92 6.646 -13.029 -26.559 699 H CYS 93 HN CYS 93 11.159 -13.433 -26.929 700 HA CYS 93 HA CYS 93 10.617 -16.180 -27.247 701 1HB CYS 93 HB2 CYS 93 13.235 -14.769 -26.680 702 2HB CYS 93 HB1 CYS 93 13.070 -16.420 -27.283 703 HG CYS 93 HG CYS 93 11.779 -15.295 -29.393 704 H GLY 94 HN GLY 94 10.151 -17.636 -25.685 705 1HA GLY 94 HA2 GLY 94 10.185 -18.782 -23.693 706 2HA GLY 94 HA1 GLY 94 11.741 -18.026 -23.372 707 H TYR 95 HN TYR 95 8.789 -16.214 -23.965 708 HA TYR 95 HA TYR 95 8.115 -15.782 -21.196 709 1HB TYR 95 HB2 TYR 95 9.684 -13.676 -22.716 710 2HB TYR 95 HB1 TYR 95 8.579 -13.210 -21.431 711 HD1 TYR 95 HD1 TYR 95 11.942 -14.336 -22.122 712 HD2 TYR 95 HD2 TYR 95 8.827 -14.441 -19.143 713 HE1 TYR 95 HE1 TYR 95 13.611 -14.886 -20.381 714 HE2 TYR 95 HE2 TYR 95 10.509 -14.984 -17.416 715 HH TYR 95 HH TYR 95 12.986 -16.197 -17.582 716 H VAL 96 HN VAL 96 6.207 -14.569 -20.973 717 HA VAL 96 HA VAL 96 4.743 -13.625 -23.347 718 HB VAL 96 HB VAL 96 4.249 -16.045 -23.227 719 1HG1 VAL 96 HG11 VAL 96 3.100 -17.013 -21.308 720 2HG1 VAL 96 HG12 VAL 96 3.094 -15.466 -20.471 721 3HG1 VAL 96 HG13 VAL 96 4.617 -16.303 -20.763 722 1HG2 VAL 96 HG21 VAL 96 2.502 -14.409 -23.974 723 2HG2 VAL 96 HG22 VAL 96 1.886 -14.345 -22.323 724 3HG2 VAL 96 HG23 VAL 96 1.807 -15.849 -23.234 725 H TYR 97 HN TYR 97 3.314 -12.011 -22.839 726 HA TYR 97 HA TYR 97 2.955 -11.292 -19.959 727 1HB TYR 97 HB2 TYR 97 2.985 -9.328 -22.279 728 2HB TYR 97 HB1 TYR 97 3.047 -8.973 -20.559 729 HD1 TYR 97 HD1 TYR 97 5.083 -9.259 -23.432 730 HD2 TYR 97 HD2 TYR 97 5.026 -10.275 -19.243 731 HE1 TYR 97 HE1 TYR 97 7.542 -9.422 -23.434 732 HE2 TYR 97 HE2 TYR 97 7.490 -10.444 -19.261 733 HH TYR 97 HH TYR 97 9.320 -10.418 -22.191 734 H ILE 98 HN ILE 98 0.870 -10.959 -19.312 735 HA ILE 98 HA ILE 98 -1.268 -10.683 -21.336 736 HB ILE 98 HB ILE 98 -2.677 -12.339 -20.108 737 1HG1 ILE 98 HG12 ILE 98 -0.108 -13.023 -18.601 738 2HG1 ILE 98 HG11 ILE 98 -1.450 -12.136 -17.893 739 1HG2 ILE 98 HG21 ILE 98 -1.337 -13.019 -22.098 740 2HG2 ILE 98 HG22 ILE 98 -1.550 -14.348 -20.964 741 3HG2 ILE 98 HG23 ILE 98 -0.017 -13.485 -21.028 742 1HD1 ILE 98 HD11 ILE 98 -1.644 -14.462 -17.255 743 2HD1 ILE 98 HD12 ILE 98 -1.547 -14.976 -18.937 744 3HD1 ILE 98 HD13 ILE 98 -2.951 -14.071 -18.370 745 H ALA 99 HN ALA 99 -3.284 -9.922 -20.436 746 HA ALA 99 HA ALA 99 -3.207 -8.680 -17.783 747 1HB ALA 99 HB1 ALA 99 -3.738 -6.436 -18.696 748 2HB ALA 99 HB2 ALA 99 -3.525 -7.054 -20.336 749 3HB ALA 99 HB3 ALA 99 -2.149 -6.974 -19.238 750 H VAL 100 HN VAL 100 -4.980 -9.109 -16.876 751 HA VAL 100 HA VAL 100 -7.433 -9.769 -18.375 752 HB VAL 100 HB VAL 100 -6.823 -9.975 -15.397 753 1HG1 VAL 100 HG11 VAL 100 -9.244 -9.863 -15.849 754 2HG1 VAL 100 HG12 VAL 100 -8.810 -11.510 -15.418 755 3HG1 VAL 100 HG13 VAL 100 -9.086 -11.089 -17.107 756 1HG2 VAL 100 HG21 VAL 100 -6.546 -12.390 -15.863 757 2HG2 VAL 100 HG22 VAL 100 -5.356 -11.431 -16.739 758 3HG2 VAL 100 HG23 VAL 100 -6.761 -12.080 -17.584 759 H TYR 101 HN TYR 101 -9.089 -8.390 -18.502 760 HA TYR 101 HA TYR 101 -9.308 -6.140 -16.605 761 1HB TYR 101 HB2 TYR 101 -8.190 -5.295 -18.650 762 2HB TYR 101 HB1 TYR 101 -9.560 -5.847 -19.612 763 HD1 TYR 101 HD1 TYR 101 -11.633 -4.553 -19.680 764 HD2 TYR 101 HD2 TYR 101 -8.552 -3.549 -16.847 765 HE1 TYR 101 HE1 TYR 101 -12.851 -2.480 -19.083 766 HE2 TYR 101 HE2 TYR 101 -9.787 -1.480 -16.257 767 HH TYR 101 HH TYR 101 -12.786 -0.578 -17.928 768 HA PRO 102 HA PRO 102 -13.496 -8.016 -17.008 769 1HB PRO 102 HB2 PRO 102 -14.742 -6.851 -14.881 770 2HB PRO 102 HB1 PRO 102 -13.532 -8.125 -14.651 771 1HG PRO 102 HG2 PRO 102 -13.177 -5.145 -14.446 772 2HG PRO 102 HG1 PRO 102 -12.614 -6.416 -13.334 773 1HD PRO 102 HD2 PRO 102 -10.965 -5.290 -15.219 774 2HD PRO 102 HD1 PRO 102 -10.773 -6.993 -14.703 775 H THR 103 HN THR 103 -15.398 -7.347 -17.993 776 HA THR 103 HA THR 103 -15.466 -4.545 -18.978 777 HB THR 103 HB THR 103 -15.572 -6.150 -20.777 778 HG1 THR 103 HG1 THR 103 -18.293 -5.703 -20.476 779 1HG2 THR 103 HG21 THR 103 -17.389 -7.893 -20.811 780 2HG2 THR 103 HG22 THR 103 -17.718 -7.532 -19.123 781 3HG2 THR 103 HG23 THR 103 -16.146 -8.187 -19.594 782 H GLN 104 HN GLN 104 -17.345 -3.302 -18.784 783 HA GLN 104 HA GLN 104 -18.913 -3.777 -16.391 784 1HB GLN 104 HB2 GLN 104 -19.142 -1.620 -18.522 785 2HB GLN 104 HB1 GLN 104 -19.934 -1.600 -16.947 786 1HG GLN 104 HG2 GLN 104 -16.922 -1.662 -17.375 787 2HG GLN 104 HG1 GLN 104 -17.852 -0.220 -16.990 788 1HE2 GLN 104 HE21 GLN 104 -15.865 -2.364 -15.513 789 2HE2 GLN 104 HE22 GLN 104 -16.545 -2.383 -13.958 790 H ARG 105 HN ARG 105 -20.625 -5.104 -16.386 791 HA ARG 105 HA ARG 105 -22.816 -4.813 -18.201 792 1HB ARG 105 HB2 ARG 105 -21.233 -6.109 -19.653 793 2HB ARG 105 HB1 ARG 105 -21.214 -7.392 -18.447 794 1HG ARG 105 HG2 ARG 105 -23.661 -7.698 -18.730 795 2HG ARG 105 HG1 ARG 105 -23.682 -6.398 -19.922 796 1HD ARG 105 HD2 ARG 105 -22.080 -8.966 -20.185 797 2HD ARG 105 HD1 ARG 105 -23.624 -8.656 -20.976 798 HE ARG 105 HE ARG 105 -21.882 -6.551 -21.636 799 1HH1 ARG 105 HH21 ARG 105 -22.231 -9.972 -22.121 800 2HH1 ARG 105 HH22 ARG 105 -21.420 -9.972 -23.651 801 1HH2 ARG 105 HH11 ARG 105 -20.819 -6.559 -23.639 802 2HH2 ARG 105 HH12 ARG 105 -20.622 -8.044 -24.508 Start of MODEL 4 1 1H MET 1 HT1 MET 1 8.815 8.479 -5.118 2 2H MET 1 HT2 MET 1 9.177 7.094 -4.204 3 3H MET 1 HT3 MET 1 8.830 6.955 -5.862 4 HA MET 1 HA MET 1 10.841 8.500 -6.190 5 1HB MET 1 HB2 MET 1 11.310 7.350 -3.415 6 2HB MET 1 HB1 MET 1 12.530 8.185 -4.374 7 1HG MET 1 HG2 MET 1 11.094 10.214 -4.408 8 2HG MET 1 HG1 MET 1 9.900 9.369 -3.427 9 1HE MET 1 HE1 MET 1 13.936 11.103 -2.133 10 2HE MET 1 HE2 MET 1 12.854 11.706 -3.386 11 3HE MET 1 HE3 MET 1 13.718 10.190 -3.631 12 H SER 2 HN SER 2 9.480 5.547 -5.857 13 HA SER 2 HA SER 2 11.365 4.237 -7.569 14 1HB SER 2 HB2 SER 2 12.636 3.963 -5.499 15 2HB SER 2 HB1 SER 2 11.213 3.335 -4.675 16 HG SER 2 HG SER 2 11.509 1.467 -5.609 17 H ASN 3 HN ASN 3 9.487 3.948 -8.789 18 HA ASN 3 HA ASN 3 7.104 2.737 -7.803 19 1HB ASN 3 HB2 ASN 3 7.222 4.064 -9.919 20 2HB ASN 3 HB1 ASN 3 8.172 2.776 -10.655 21 1HD2 ASN 3 HD21 ASN 3 6.609 2.030 -12.195 22 2HD2 ASN 3 HD22 ASN 3 5.106 1.381 -11.746 23 H THR 4 HN THR 4 6.908 0.678 -7.126 24 HA THR 4 HA THR 4 8.634 -1.445 -8.329 25 HB THR 4 HB THR 4 7.444 -1.383 -5.535 26 HG1 THR 4 HG1 THR 4 9.567 -0.176 -6.581 27 1HG2 THR 4 HG21 THR 4 9.437 -3.243 -6.887 28 2HG2 THR 4 HG22 THR 4 7.801 -3.670 -6.382 29 3HG2 THR 4 HG23 THR 4 9.023 -3.283 -5.175 30 H THR 5 HN THR 5 7.434 -2.709 -9.634 31 HA THR 5 HA THR 5 4.823 -3.707 -8.710 32 HB THR 5 HB THR 5 5.194 -2.486 -11.478 33 HG1 THR 5 HG1 THR 5 4.116 -0.776 -10.726 34 1HG2 THR 5 HG21 THR 5 3.554 -4.323 -11.424 35 2HG2 THR 5 HG22 THR 5 2.736 -2.777 -11.598 36 3HG2 THR 5 HG23 THR 5 2.754 -3.584 -10.036 37 H TRP 6 HN TRP 6 4.701 -5.824 -9.054 38 HA TRP 6 HA TRP 6 6.754 -7.436 -10.029 39 1HB TRP 6 HB2 TRP 6 3.779 -8.027 -9.973 40 2HB TRP 6 HB1 TRP 6 5.057 -9.232 -10.134 41 HD1 TRP 6 HD1 TRP 6 3.113 -7.410 -7.545 42 HE1 TRP 6 HE1 TRP 6 4.109 -7.857 -5.210 43 HE3 TRP 6 HE3 TRP 6 7.573 -9.527 -8.866 44 HZ2 TRP 6 HZ2 TRP 6 6.473 -8.965 -4.055 45 HZ3 TRP 6 HZ3 TRP 6 9.172 -10.274 -7.126 46 HH2 TRP 6 HH2 TRP 6 8.630 -9.991 -4.724 47 H GLY 7 HN GLY 7 3.620 -7.353 -11.716 48 1HA GLY 7 HA2 GLY 7 4.679 -8.122 -14.209 49 2HA GLY 7 HA1 GLY 7 3.090 -7.426 -13.945 50 H LEU 8 HN LEU 8 3.506 -6.386 -16.028 51 HA LEU 8 HA LEU 8 5.568 -4.528 -16.452 52 1HB LEU 8 HB2 LEU 8 2.811 -4.937 -17.633 53 2HB LEU 8 HB1 LEU 8 3.760 -3.541 -18.126 54 HG LEU 8 HG LEU 8 4.036 -5.480 -19.665 55 1HD1 LEU 8 HD11 LEU 8 6.234 -5.030 -20.119 56 2HD1 LEU 8 HD12 LEU 8 6.780 -5.315 -18.471 57 3HD1 LEU 8 HD13 LEU 8 6.032 -3.782 -18.903 58 1HD2 LEU 8 HD21 LEU 8 4.987 -7.551 -18.968 59 2HD2 LEU 8 HD22 LEU 8 3.757 -7.197 -17.770 60 3HD2 LEU 8 HD23 LEU 8 5.462 -6.917 -17.400 61 H GLN 9 HN GLN 9 5.533 -2.275 -16.482 62 HA GLN 9 HA GLN 9 4.240 -1.108 -14.105 63 1HB GLN 9 HB2 GLN 9 6.395 0.048 -15.907 64 2HB GLN 9 HB1 GLN 9 5.838 0.699 -14.366 65 1HG GLN 9 HG2 GLN 9 7.844 -0.522 -13.858 66 2HG GLN 9 HG1 GLN 9 6.523 -1.546 -13.311 67 1HE2 GLN 9 HE21 GLN 9 7.328 -3.650 -13.703 68 2HE2 GLN 9 HE22 GLN 9 7.919 -4.176 -15.205 69 H ARG 10 HN ARG 10 2.549 0.214 -14.292 70 HA ARG 10 HA ARG 10 2.172 1.911 -16.613 71 1HB ARG 10 HB2 ARG 10 -0.354 1.011 -16.664 72 2HB ARG 10 HB1 ARG 10 0.886 0.123 -17.534 73 1HG ARG 10 HG2 ARG 10 -0.544 -1.385 -16.190 74 2HG ARG 10 HG1 ARG 10 1.132 -1.465 -15.685 75 1HD ARG 10 HD2 ARG 10 0.692 -0.197 -13.698 76 2HD ARG 10 HD1 ARG 10 -0.871 0.359 -14.304 77 HE ARG 10 HE ARG 10 -1.808 -1.595 -13.494 78 1HH1 ARG 10 HH21 ARG 10 1.611 -2.003 -13.907 79 2HH1 ARG 10 HH22 ARG 10 1.637 -3.599 -13.233 80 1HH2 ARG 10 HH11 ARG 10 -1.769 -3.672 -12.610 81 2HH2 ARG 10 HH12 ARG 10 -0.277 -4.543 -12.499 82 H ASP 11 HN ASP 11 0.016 3.209 -16.196 83 HA ASP 11 HA ASP 11 0.233 4.259 -13.439 84 1HB ASP 11 HB2 ASP 11 -0.961 5.458 -15.947 85 2HB ASP 11 HB1 ASP 11 -0.824 6.268 -14.386 86 H ILE 12 HN ILE 12 -2.133 3.485 -15.943 87 HA ILE 12 HA ILE 12 -4.477 3.786 -14.354 88 HB ILE 12 HB ILE 12 -5.534 2.279 -16.228 89 1HG1 ILE 12 HG12 ILE 12 -2.861 2.854 -17.566 90 2HG1 ILE 12 HG11 ILE 12 -3.268 1.296 -16.861 91 1HG2 ILE 12 HG21 ILE 12 -4.188 4.900 -16.958 92 2HG2 ILE 12 HG22 ILE 12 -5.769 4.720 -16.194 93 3HG2 ILE 12 HG23 ILE 12 -5.519 4.147 -17.837 94 1HD1 ILE 12 HD11 ILE 12 -3.673 1.494 -19.366 95 2HD1 ILE 12 HD12 ILE 12 -4.968 2.619 -19.010 96 3HD1 ILE 12 HD13 ILE 12 -5.068 0.963 -18.429 97 H THR 13 HN THR 13 -5.465 2.494 -12.997 98 HA THR 13 HA THR 13 -4.265 0.051 -12.064 99 HB THR 13 HB THR 13 -6.881 0.363 -10.920 100 HG1 THR 13 HG1 THR 13 -7.045 2.477 -10.515 101 1HG2 THR 13 HG21 THR 13 -5.652 1.082 -8.917 102 2HG2 THR 13 HG22 THR 13 -4.208 1.359 -9.890 103 3HG2 THR 13 HG23 THR 13 -4.834 -0.277 -9.687 104 HA PRO 14 HA PRO 14 -8.881 -1.351 -14.030 105 1HB PRO 14 HB2 PRO 14 -7.793 -0.089 -16.553 106 2HB PRO 14 HB1 PRO 14 -9.480 -0.458 -16.118 107 1HG PRO 14 HG2 PRO 14 -8.452 2.029 -15.857 108 2HG PRO 14 HG1 PRO 14 -9.660 1.390 -14.719 109 1HD PRO 14 HD2 PRO 14 -6.829 1.978 -14.186 110 2HD PRO 14 HD1 PRO 14 -8.081 1.622 -13.006 111 H ARG 15 HN ARG 15 -5.659 -1.151 -15.458 112 HA ARG 15 HA ARG 15 -5.849 -3.896 -16.495 113 1HB ARG 15 HB2 ARG 15 -3.722 -1.767 -16.869 114 2HB ARG 15 HB1 ARG 15 -3.649 -3.382 -17.582 115 1HG ARG 15 HG2 ARG 15 -5.784 -2.945 -18.761 116 2HG ARG 15 HG1 ARG 15 -5.828 -1.326 -18.067 117 1HD ARG 15 HD2 ARG 15 -4.904 -1.185 -20.318 118 2HD ARG 15 HD1 ARG 15 -3.611 -0.870 -19.162 119 HE ARG 15 HE ARG 15 -3.666 -3.631 -19.747 120 1HH1 ARG 15 HH21 ARG 15 -2.920 -0.560 -21.170 121 2HH1 ARG 15 HH22 ARG 15 -1.743 -1.200 -22.267 122 1HH2 ARG 15 HH11 ARG 15 -2.121 -4.473 -21.181 123 2HH2 ARG 15 HH12 ARG 15 -1.291 -3.415 -22.274 124 H LEU 16 HN LEU 16 -4.688 -5.535 -15.728 125 HA LEU 16 HA LEU 16 -2.867 -5.085 -13.420 126 1HB LEU 16 HB2 LEU 16 -4.955 -6.114 -12.619 127 2HB LEU 16 HB1 LEU 16 -4.874 -7.325 -13.889 128 HG LEU 16 HG LEU 16 -2.791 -8.244 -12.896 129 1HD1 LEU 16 HD11 LEU 16 -2.203 -7.429 -10.536 130 2HD1 LEU 16 HD12 LEU 16 -3.149 -5.991 -10.901 131 3HD1 LEU 16 HD13 LEU 16 -1.723 -6.395 -11.862 132 1HD2 LEU 16 HD21 LEU 16 -4.993 -9.131 -12.209 133 2HD2 LEU 16 HD22 LEU 16 -5.042 -7.978 -10.876 134 3HD2 LEU 16 HD23 LEU 16 -3.810 -9.243 -10.912 135 H GLY 17 HN GLY 17 -0.920 -5.824 -13.669 136 1HA GLY 17 HA2 GLY 17 -0.093 -7.251 -16.075 137 2HA GLY 17 HA1 GLY 17 0.948 -6.633 -14.794 138 H ALA 18 HN ALA 18 1.018 -9.264 -16.027 139 HA ALA 18 HA ALA 18 1.270 -10.892 -13.679 140 1HB ALA 18 HB1 ALA 18 -0.981 -11.571 -15.595 141 2HB ALA 18 HB2 ALA 18 -1.179 -11.016 -13.934 142 3HB ALA 18 HB3 ALA 18 -0.426 -12.578 -14.256 143 H ARG 19 HN ARG 19 3.290 -10.452 -15.178 144 HA ARG 19 HA ARG 19 3.517 -12.048 -17.543 145 1HB ARG 19 HB2 ARG 19 5.894 -11.423 -17.455 146 2HB ARG 19 HB1 ARG 19 4.867 -10.016 -17.167 147 1HG ARG 19 HG2 ARG 19 5.182 -10.430 -14.662 148 2HG ARG 19 HG1 ARG 19 6.393 -11.632 -15.082 149 1HD ARG 19 HD2 ARG 19 6.508 -8.718 -15.898 150 2HD ARG 19 HD1 ARG 19 7.423 -9.435 -14.579 151 HE ARG 19 HE ARG 19 8.009 -9.647 -17.391 152 1HH1 ARG 19 HH21 ARG 19 8.215 -11.293 -14.334 153 2HH1 ARG 19 HH22 ARG 19 9.579 -12.256 -14.796 154 1HH2 ARG 19 HH11 ARG 19 9.788 -10.922 -17.989 155 2HH2 ARG 19 HH12 ARG 19 10.468 -12.045 -16.858 156 H LEU 20 HN LEU 20 4.132 -14.116 -17.766 157 HA LEU 20 HA LEU 20 4.928 -15.654 -15.345 158 1HB LEU 20 HB2 LEU 20 3.578 -16.686 -17.862 159 2HB LEU 20 HB1 LEU 20 3.849 -17.566 -16.355 160 HG LEU 20 HG LEU 20 2.058 -15.136 -16.738 161 1HD1 LEU 20 HD11 LEU 20 1.406 -18.042 -16.159 162 2HD1 LEU 20 HD12 LEU 20 1.146 -17.199 -17.686 163 3HD1 LEU 20 HD13 LEU 20 0.237 -16.727 -16.254 164 1HD2 LEU 20 HD21 LEU 20 2.783 -14.872 -14.513 165 2HD2 LEU 20 HD22 LEU 20 2.938 -16.602 -14.236 166 3HD2 LEU 20 HD23 LEU 20 1.344 -15.856 -14.287 167 H VAL 21 HN VAL 21 6.443 -17.270 -15.587 168 HA VAL 21 HA VAL 21 8.458 -16.739 -17.673 169 HB VAL 21 HB VAL 21 9.952 -18.141 -16.141 170 1HG1 VAL 21 HG11 VAL 21 9.959 -15.676 -16.028 171 2HG1 VAL 21 HG12 VAL 21 10.208 -16.377 -14.430 172 3HG1 VAL 21 HG13 VAL 21 8.628 -15.723 -14.870 173 1HG2 VAL 21 HG21 VAL 21 8.138 -19.406 -15.013 174 2HG2 VAL 21 HG22 VAL 21 7.583 -17.920 -14.249 175 3HG2 VAL 21 HG23 VAL 21 9.165 -18.581 -13.852 176 H GLN 22 HN GLN 22 9.002 -18.217 -19.144 177 HA GLN 22 HA GLN 22 7.205 -20.447 -19.553 178 1HB GLN 22 HB2 GLN 22 8.146 -18.968 -21.406 179 2HB GLN 22 HB1 GLN 22 9.698 -19.763 -21.171 180 1HG GLN 22 HG2 GLN 22 7.109 -21.247 -21.821 181 2HG GLN 22 HG1 GLN 22 8.291 -20.769 -23.027 182 1HE2 GLN 22 HE21 GLN 22 7.374 -23.512 -21.656 183 2HE2 GLN 22 HE22 GLN 22 8.867 -24.279 -21.402 184 H GLU 23 HN GLU 23 7.590 -22.535 -19.197 185 HA GLU 23 HA GLU 23 10.176 -23.704 -18.836 186 1HB GLU 23 HB2 GLU 23 9.688 -24.371 -16.367 187 2HB GLU 23 HB1 GLU 23 10.286 -22.742 -16.670 188 1HG GLU 23 HG2 GLU 23 8.016 -21.831 -16.536 189 2HG GLU 23 HG1 GLU 23 7.351 -23.444 -16.331 190 H GLY 24 HN GLY 24 9.806 -25.596 -19.859 191 1HA GLY 24 HA2 GLY 24 8.917 -27.666 -20.320 192 2HA GLY 24 HA1 GLY 24 7.939 -27.517 -18.861 193 H ASN 25 HN ASN 25 6.195 -28.475 -20.110 194 HA ASN 25 HA ASN 25 5.059 -26.839 -22.270 195 1HB ASN 25 HB2 ASN 25 4.196 -29.506 -21.092 196 2HB ASN 25 HB1 ASN 25 3.470 -28.735 -22.503 197 1HD2 ASN 25 HD21 ASN 25 5.849 -30.954 -21.565 198 2HD2 ASN 25 HD22 ASN 25 6.762 -30.952 -22.996 199 H GLN 26 HN GLN 26 5.064 -26.471 -19.106 200 HA GLN 26 HA GLN 26 2.227 -25.586 -18.905 201 1HB GLN 26 HB2 GLN 26 3.895 -26.882 -16.717 202 2HB GLN 26 HB1 GLN 26 2.246 -26.280 -16.545 203 1HG GLN 26 HG2 GLN 26 3.102 -28.506 -18.428 204 2HG GLN 26 HG1 GLN 26 2.319 -28.748 -16.875 205 1HE2 GLN 26 HE21 GLN 26 1.528 -28.953 -19.996 206 2HE2 GLN 26 HE22 GLN 26 -0.054 -28.337 -19.974 207 H LEU 27 HN LEU 27 1.937 -23.592 -18.111 208 HA LEU 27 HA LEU 27 4.298 -21.920 -17.600 209 1HB LEU 27 HB2 LEU 27 1.363 -21.418 -18.187 210 2HB LEU 27 HB1 LEU 27 2.361 -20.125 -17.523 211 HG LEU 27 HG LEU 27 3.927 -20.323 -19.407 212 1HD1 LEU 27 HD11 LEU 27 3.854 -22.625 -20.012 213 2HD1 LEU 27 HD12 LEU 27 3.183 -21.779 -21.397 214 3HD1 LEU 27 HD13 LEU 27 2.110 -22.598 -20.269 215 1HD2 LEU 27 HD21 LEU 27 1.029 -20.093 -20.295 216 2HD2 LEU 27 HD22 LEU 27 2.425 -19.470 -21.172 217 3HD2 LEU 27 HD23 LEU 27 2.002 -18.795 -19.599 218 H HIS 28 HN HIS 28 4.809 -21.121 -15.672 219 HA HIS 28 HA HIS 28 3.442 -22.178 -13.306 220 1HB HIS 28 HB2 HIS 28 5.971 -22.169 -13.615 221 2HB HIS 28 HB1 HIS 28 5.926 -20.423 -13.419 222 HD1 HIS 28 HD1 HIS 28 3.309 -21.092 -11.356 223 HD2 HIS 28 HD2 HIS 28 7.338 -22.095 -10.968 224 HE1 HIS 28 HE1 HIS 28 3.698 -21.540 -8.897 225 HE2 HIS 28 HE2 HIS 28 6.149 -22.152 -8.642 226 H TYR 29 HN TYR 29 1.797 -20.998 -12.480 227 HA TYR 29 HA TYR 29 1.755 -18.061 -12.796 228 1HB TYR 29 HB2 TYR 29 -0.289 -19.405 -13.427 229 2HB TYR 29 HB1 TYR 29 -0.408 -19.940 -11.755 230 HD1 TYR 29 HD1 TYR 29 -0.992 -18.334 -9.940 231 HD2 TYR 29 HD2 TYR 29 -0.787 -17.076 -14.050 232 HE1 TYR 29 HE1 TYR 29 -2.139 -16.206 -9.357 233 HE2 TYR 29 HE2 TYR 29 -1.936 -14.964 -13.455 234 HH TYR 29 HH TYR 29 -2.145 -13.735 -10.545 235 H LEU 30 HN LEU 30 2.957 -17.152 -11.260 236 HA LEU 30 HA LEU 30 2.983 -18.193 -8.511 237 1HB LEU 30 HB2 LEU 30 4.523 -15.994 -9.893 238 2HB LEU 30 HB1 LEU 30 4.755 -16.447 -8.212 239 HG LEU 30 HG LEU 30 5.011 -18.521 -10.427 240 1HD1 LEU 30 HD11 LEU 30 7.218 -16.705 -9.386 241 2HD1 LEU 30 HD12 LEU 30 6.566 -16.713 -11.024 242 3HD1 LEU 30 HD13 LEU 30 7.463 -18.106 -10.433 243 1HD2 LEU 30 HD21 LEU 30 6.260 -18.301 -7.650 244 2HD2 LEU 30 HD22 LEU 30 6.498 -19.636 -8.773 245 3HD2 LEU 30 HD23 LEU 30 4.919 -19.357 -8.073 246 H ALA 31 HN ALA 31 1.437 -17.521 -7.198 247 HA ALA 31 HA ALA 31 -0.278 -15.337 -7.587 248 1HB ALA 31 HB1 ALA 31 0.485 -16.756 -5.020 249 2HB ALA 31 HB2 ALA 31 -0.796 -17.249 -6.127 250 3HB ALA 31 HB3 ALA 31 -0.931 -15.727 -5.243 251 H ASP 32 HN ASP 32 2.859 -15.636 -6.042 252 HA ASP 32 HA ASP 32 2.808 -13.164 -4.601 253 1HB ASP 32 HB2 ASP 32 5.174 -14.813 -5.556 254 2HB ASP 32 HB1 ASP 32 5.230 -13.532 -4.346 255 H ARG 33 HN ARG 33 2.991 -13.831 -7.903 256 HA ARG 33 HA ARG 33 4.390 -11.278 -8.554 257 1HB ARG 33 HB2 ARG 33 3.941 -13.696 -10.323 258 2HB ARG 33 HB1 ARG 33 4.878 -12.264 -10.729 259 1HG ARG 33 HG2 ARG 33 5.523 -14.174 -8.449 260 2HG ARG 33 HG1 ARG 33 6.306 -14.191 -10.017 261 1HD ARG 33 HD2 ARG 33 6.977 -11.757 -9.571 262 2HD ARG 33 HD1 ARG 33 6.461 -12.020 -7.906 263 HE ARG 33 HE ARG 33 8.371 -13.259 -7.545 264 1HH1 ARG 33 HH21 ARG 33 7.738 -13.018 -10.944 265 2HH1 ARG 33 HH22 ARG 33 9.232 -13.759 -11.412 266 1HH2 ARG 33 HH11 ARG 33 10.320 -14.209 -8.145 267 2HH2 ARG 33 HH12 ARG 33 10.700 -14.435 -9.819 268 H ALA 34 HN ALA 34 1.991 -10.755 -7.750 269 HA ALA 34 HA ALA 34 0.747 -9.663 -10.048 270 1HB ALA 34 HB1 ALA 34 -0.128 -11.983 -10.267 271 2HB ALA 34 HB2 ALA 34 -1.422 -10.846 -9.902 272 3HB ALA 34 HB3 ALA 34 -0.778 -11.885 -8.632 273 H SER 35 HN SER 35 -1.494 -8.702 -9.337 274 HA SER 35 HA SER 35 -1.496 -7.871 -6.507 275 1HB SER 35 HB2 SER 35 -1.392 -5.899 -8.809 276 2HB SER 35 HB1 SER 35 -1.591 -5.506 -7.102 277 HG SER 35 HG SER 35 0.464 -5.814 -6.814 278 H ILE 36 HN ILE 36 -3.552 -6.672 -6.007 279 HA ILE 36 HA ILE 36 -5.812 -7.610 -7.690 280 HB ILE 36 HB ILE 36 -5.783 -6.746 -4.767 281 1HG1 ILE 36 HG12 ILE 36 -5.954 -9.553 -5.944 282 2HG1 ILE 36 HG11 ILE 36 -4.503 -8.872 -5.217 283 1HG2 ILE 36 HG21 ILE 36 -7.972 -6.418 -5.879 284 2HG2 ILE 36 HG22 ILE 36 -8.067 -7.755 -4.754 285 3HG2 ILE 36 HG23 ILE 36 -7.923 -8.073 -6.482 286 1HD1 ILE 36 HD11 ILE 36 -5.646 -10.238 -3.567 287 2HD1 ILE 36 HD12 ILE 36 -7.143 -9.343 -3.813 288 3HD1 ILE 36 HD13 ILE 36 -5.748 -8.546 -3.085 289 H THR 37 HN THR 37 -7.288 -6.158 -8.406 290 HA THR 37 HA THR 37 -6.912 -3.276 -7.767 291 HB THR 37 HB THR 37 -7.590 -4.407 -10.518 292 HG1 THR 37 HG1 THR 37 -5.204 -3.117 -9.799 293 1HG2 THR 37 HG21 THR 37 -7.155 -2.085 -11.215 294 2HG2 THR 37 HG22 THR 37 -6.881 -1.625 -9.544 295 3HG2 THR 37 HG23 THR 37 -8.478 -2.147 -10.069 296 H GLY 38 HN GLY 38 -8.785 -2.156 -7.392 297 1HA GLY 38 HA2 GLY 38 -11.022 -1.696 -7.229 298 2HA GLY 38 HA1 GLY 38 -11.386 -3.126 -8.190 299 H LYS 39 HN LYS 39 -12.802 -4.243 -6.990 300 HA LYS 39 HA LYS 39 -12.020 -5.554 -4.559 301 1HB LYS 39 HB2 LYS 39 -13.769 -4.515 -3.116 302 2HB LYS 39 HB1 LYS 39 -12.513 -3.364 -3.571 303 1HG LYS 39 HG2 LYS 39 -13.985 -2.531 -5.413 304 2HG LYS 39 HG1 LYS 39 -15.252 -3.622 -4.867 305 1HD LYS 39 HD2 LYS 39 -15.296 -2.509 -2.675 306 2HD LYS 39 HD1 LYS 39 -14.026 -1.408 -3.208 307 1HE LYS 39 HE2 LYS 39 -15.495 -0.571 -5.007 308 2HE LYS 39 HE1 LYS 39 -16.768 -1.679 -4.491 309 1HZ LYS 39 HZ1 LYS 39 -15.554 0.339 -2.702 310 2HZ LYS 39 HZ2 LYS 39 -16.958 -0.578 -2.436 311 3HZ LYS 39 HZ3 LYS 39 -16.946 0.639 -3.624 312 H PHE 40 HN PHE 40 -13.105 -7.409 -4.395 313 HA PHE 40 HA PHE 40 -15.609 -7.838 -5.982 314 1HB PHE 40 HB2 PHE 40 -13.456 -9.842 -5.241 315 2HB PHE 40 HB1 PHE 40 -14.865 -10.121 -6.266 316 HD1 PHE 40 HD1 PHE 40 -15.035 -9.004 -8.513 317 HD2 PHE 40 HD2 PHE 40 -11.490 -8.680 -6.092 318 HE1 PHE 40 HE1 PHE 40 -13.757 -8.194 -10.479 319 HE2 PHE 40 HE2 PHE 40 -10.220 -7.878 -8.062 320 HZ PHE 40 HZ PHE 40 -11.352 -7.635 -10.257 321 H SER 41 HN SER 41 -17.316 -8.277 -4.840 322 HA SER 41 HA SER 41 -17.315 -8.468 -1.995 323 1HB SER 41 HB2 SER 41 -19.476 -9.132 -4.016 324 2HB SER 41 HB1 SER 41 -19.723 -8.944 -2.281 325 HG SER 41 HG SER 41 -18.704 -6.794 -2.651 326 H ASP 42 HN ASP 42 -18.156 -10.314 -0.787 327 HA ASP 42 HA ASP 42 -16.782 -12.749 -1.215 328 1HB ASP 42 HB2 ASP 42 -18.264 -13.654 0.527 329 2HB ASP 42 HB1 ASP 42 -17.657 -12.063 0.983 330 H ALA 43 HN ALA 43 -19.738 -11.581 -2.600 331 HA ALA 43 HA ALA 43 -20.563 -14.272 -3.479 332 1HB ALA 43 HB1 ALA 43 -21.812 -11.553 -3.959 333 2HB ALA 43 HB2 ALA 43 -22.292 -12.699 -2.709 334 3HB ALA 43 HB3 ALA 43 -22.519 -13.108 -4.409 335 H GLU 44 HN GLU 44 -18.588 -11.728 -4.545 336 HA GLU 44 HA GLU 44 -18.769 -12.496 -7.435 337 1HB GLU 44 HB2 GLU 44 -17.711 -9.984 -6.098 338 2HB GLU 44 HB1 GLU 44 -17.671 -10.310 -7.834 339 1HG GLU 44 HG2 GLU 44 -20.130 -10.472 -7.868 340 2HG GLU 44 HG1 GLU 44 -20.179 -10.161 -6.134 341 H CYS 45 HN CYS 45 -16.631 -12.301 -4.641 342 HA CYS 45 HA CYS 45 -14.171 -12.548 -6.023 343 1HB CYS 45 HB2 CYS 45 -14.972 -12.409 -3.298 344 2HB CYS 45 HB1 CYS 45 -14.140 -13.949 -3.426 345 HG CYS 45 HG CYS 45 -12.602 -11.540 -4.607 346 HA PRO 46 HA PRO 46 -14.835 -17.369 -5.289 347 1HB PRO 46 HB2 PRO 46 -17.828 -17.461 -5.635 348 2HB PRO 46 HB1 PRO 46 -16.793 -18.422 -4.555 349 1HG PRO 46 HG2 PRO 46 -18.273 -16.467 -3.555 350 2HG PRO 46 HG1 PRO 46 -16.594 -16.668 -2.992 351 1HD PRO 46 HD2 PRO 46 -17.638 -14.666 -5.034 352 2HD PRO 46 HD1 PRO 46 -16.527 -14.394 -3.687 353 H LYS 47 HN LYS 47 -17.289 -15.788 -7.339 354 HA LYS 47 HA LYS 47 -17.278 -17.597 -9.441 355 1HB LYS 47 HB2 LYS 47 -17.638 -14.577 -9.548 356 2HB LYS 47 HB1 LYS 47 -18.094 -15.691 -10.842 357 1HG LYS 47 HG2 LYS 47 -19.648 -16.847 -9.301 358 2HG LYS 47 HG1 LYS 47 -19.205 -15.719 -8.017 359 1HD LYS 47 HD2 LYS 47 -20.039 -13.833 -9.371 360 2HD LYS 47 HD1 LYS 47 -20.476 -14.949 -10.666 361 1HE LYS 47 HE2 LYS 47 -22.031 -16.115 -9.121 362 2HE LYS 47 HE1 LYS 47 -21.613 -14.964 -7.852 363 1HZ LYS 47 HZ1 LYS 47 -23.359 -14.646 -10.107 364 2HZ LYS 47 HZ2 LYS 47 -22.245 -13.373 -9.950 365 3HZ LYS 47 HZ3 LYS 47 -23.286 -13.761 -8.663 366 H LEU 48 HN LEU 48 -15.289 -14.638 -9.176 367 HA LEU 48 HA LEU 48 -13.944 -15.064 -11.597 368 1HB LEU 48 HB2 LEU 48 -13.469 -13.398 -9.138 369 2HB LEU 48 HB1 LEU 48 -12.135 -13.533 -10.269 370 HG LEU 48 HG LEU 48 -13.575 -11.538 -10.698 371 1HD1 LEU 48 HD11 LEU 48 -12.420 -13.157 -12.607 372 2HD1 LEU 48 HD12 LEU 48 -13.195 -11.624 -12.949 373 3HD1 LEU 48 HD13 LEU 48 -14.084 -13.124 -13.179 374 1HD2 LEU 48 HD21 LEU 48 -15.729 -12.807 -9.989 375 2HD2 LEU 48 HD22 LEU 48 -15.767 -13.432 -11.627 376 3HD2 LEU 48 HD23 LEU 48 -15.866 -11.702 -11.340 377 H ASP 49 HN ASP 49 -13.178 -16.076 -8.306 378 HA ASP 49 HA ASP 49 -10.623 -17.167 -8.898 379 1HB ASP 49 HB2 ASP 49 -12.629 -17.859 -6.725 380 2HB ASP 49 HB1 ASP 49 -10.941 -18.375 -6.737 381 H VAL 50 HN VAL 50 -13.797 -18.209 -9.666 382 HA VAL 50 HA VAL 50 -12.885 -20.996 -10.120 383 HB VAL 50 HB VAL 50 -15.675 -19.779 -10.005 384 1HG1 VAL 50 HG11 VAL 50 -15.909 -21.453 -11.707 385 2HG1 VAL 50 HG12 VAL 50 -16.435 -22.259 -10.239 386 3HG1 VAL 50 HG13 VAL 50 -14.821 -22.573 -10.878 387 1HG2 VAL 50 HG21 VAL 50 -15.959 -21.180 -8.026 388 2HG2 VAL 50 HG22 VAL 50 -14.482 -20.242 -7.834 389 3HG2 VAL 50 HG23 VAL 50 -14.387 -21.936 -8.288 390 H VAL 51 HN VAL 51 -13.454 -18.065 -11.763 391 HA VAL 51 HA VAL 51 -13.876 -19.401 -14.376 392 HB VAL 51 HB VAL 51 -13.908 -16.505 -13.489 393 1HG1 VAL 51 HG11 VAL 51 -13.988 -17.651 -16.306 394 2HG1 VAL 51 HG12 VAL 51 -12.963 -16.356 -15.685 395 3HG1 VAL 51 HG13 VAL 51 -14.677 -16.070 -15.924 396 1HG2 VAL 51 HG21 VAL 51 -16.059 -18.268 -14.712 397 2HG2 VAL 51 HG22 VAL 51 -16.269 -16.618 -14.129 398 3HG2 VAL 51 HG23 VAL 51 -15.915 -17.917 -12.999 399 H PHE 52 HN PHE 52 -11.360 -18.088 -12.394 400 HA PHE 52 HA PHE 52 -9.547 -17.254 -14.400 401 1HB PHE 52 HB2 PHE 52 -9.521 -17.485 -11.536 402 2HB PHE 52 HB1 PHE 52 -8.124 -18.392 -12.095 403 HD1 PHE 52 HD1 PHE 52 -9.653 -15.060 -11.833 404 HD2 PHE 52 HD2 PHE 52 -6.345 -17.298 -13.437 405 HE1 PHE 52 HE1 PHE 52 -8.432 -12.955 -12.263 406 HE2 PHE 52 HE2 PHE 52 -5.129 -15.186 -13.859 407 HZ PHE 52 HZ PHE 52 -6.172 -13.016 -13.275 408 HA PRO 53 HA PRO 53 -7.796 -21.849 -14.061 409 1HB PRO 53 HB2 PRO 53 -10.445 -23.219 -13.586 410 2HB PRO 53 HB1 PRO 53 -8.838 -23.647 -12.957 411 1HG PRO 53 HG2 PRO 53 -10.618 -22.508 -11.354 412 2HG PRO 53 HG1 PRO 53 -8.918 -21.971 -11.295 413 1HD PRO 53 HD2 PRO 53 -11.222 -20.636 -12.725 414 2HD PRO 53 HD1 PRO 53 -10.009 -19.896 -11.702 415 H HIS 54 HN HIS 54 -11.016 -21.024 -15.258 416 HA HIS 54 HA HIS 54 -11.141 -22.752 -17.465 417 1HB HIS 54 HB2 HIS 54 -13.052 -21.391 -16.554 418 2HB HIS 54 HB1 HIS 54 -12.349 -19.967 -17.313 419 HD1 HIS 54 HD1 HIS 54 -12.824 -23.514 -18.622 420 HD2 HIS 54 HD2 HIS 54 -13.793 -19.590 -19.643 421 HE1 HIS 54 HE1 HIS 54 -14.005 -23.628 -20.858 422 HE2 HIS 54 HE2 HIS 54 -14.606 -21.245 -21.494 423 H PHE 55 HN PHE 55 -9.800 -19.491 -17.174 424 HA PHE 55 HA PHE 55 -9.059 -19.143 -19.921 425 1HB PHE 55 HB2 PHE 55 -8.230 -17.903 -17.282 426 2HB PHE 55 HB1 PHE 55 -7.346 -17.504 -18.745 427 HD1 PHE 55 HD1 PHE 55 -8.638 -16.680 -20.780 428 HD2 PHE 55 HD2 PHE 55 -10.347 -16.768 -16.825 429 HE1 PHE 55 HE1 PHE 55 -10.356 -15.059 -21.483 430 HE2 PHE 55 HE2 PHE 55 -12.068 -15.126 -17.558 431 HZ PHE 55 HZ PHE 55 -12.066 -14.284 -19.884 432 H ILE 56 HN ILE 56 -7.326 -20.462 -17.091 433 HA ILE 56 HA ILE 56 -4.920 -20.859 -18.611 434 HB ILE 56 HB ILE 56 -5.744 -22.222 -16.008 435 1HG1 ILE 56 HG12 ILE 56 -6.019 -19.816 -15.735 436 2HG1 ILE 56 HG11 ILE 56 -4.588 -20.332 -14.871 437 1HG2 ILE 56 HG21 ILE 56 -3.760 -23.207 -17.048 438 2HG2 ILE 56 HG22 ILE 56 -3.295 -22.302 -15.611 439 3HG2 ILE 56 HG23 ILE 56 -3.022 -21.614 -17.210 440 1HD1 ILE 56 HD11 ILE 56 -3.891 -18.363 -15.938 441 2HD1 ILE 56 HD12 ILE 56 -4.781 -18.719 -17.413 442 3HD1 ILE 56 HD13 ILE 56 -3.296 -19.595 -17.037 443 H SER 57 HN SER 57 -7.841 -22.677 -18.094 444 HA SER 57 HA SER 57 -6.780 -25.213 -18.868 445 1HB SER 57 HB2 SER 57 -8.874 -24.975 -17.594 446 2HB SER 57 HB1 SER 57 -9.629 -24.185 -18.976 447 HG SER 57 HG SER 57 -8.748 -26.847 -18.680 448 H GLN 58 HN GLN 58 -8.434 -22.609 -20.623 449 HA GLN 58 HA GLN 58 -8.360 -24.026 -23.168 450 1HB GLN 58 HB2 GLN 58 -9.075 -21.152 -22.494 451 2HB GLN 58 HB1 GLN 58 -9.323 -21.930 -24.063 452 1HG GLN 58 HG2 GLN 58 -10.798 -23.608 -22.989 453 2HG GLN 58 HG1 GLN 58 -10.571 -22.802 -21.438 454 1HE2 GLN 58 HE21 GLN 58 -11.575 -20.684 -21.140 455 2HE2 GLN 58 HE22 GLN 58 -12.780 -20.132 -22.200 456 H ILE 59 HN ILE 59 -6.758 -21.095 -21.856 457 HA ILE 59 HA ILE 59 -5.225 -20.451 -24.096 458 HB ILE 59 HB ILE 59 -4.575 -20.167 -21.144 459 1HG1 ILE 59 HG12 ILE 59 -5.503 -18.037 -23.127 460 2HG1 ILE 59 HG11 ILE 59 -6.624 -18.949 -22.138 461 1HG2 ILE 59 HG21 ILE 59 -2.436 -19.993 -22.274 462 2HG2 ILE 59 HG22 ILE 59 -2.941 -18.354 -21.933 463 3HG2 ILE 59 HG23 ILE 59 -3.128 -19.001 -23.562 464 1HD1 ILE 59 HD11 ILE 59 -4.374 -17.198 -21.108 465 2HD1 ILE 59 HD12 ILE 59 -5.451 -18.151 -20.094 466 3HD1 ILE 59 HD13 ILE 59 -6.095 -16.816 -21.047 467 H GLU 60 HN GLU 60 -4.379 -22.698 -21.429 468 HA GLU 60 HA GLU 60 -1.807 -23.357 -22.296 469 1HB GLU 60 HB2 GLU 60 -3.939 -24.897 -20.797 470 2HB GLU 60 HB1 GLU 60 -2.351 -25.604 -21.089 471 1HG GLU 60 HG2 GLU 60 -2.734 -22.903 -19.726 472 2HG GLU 60 HG1 GLU 60 -2.600 -24.422 -18.842 473 H SER 61 HN SER 61 -4.927 -24.486 -23.422 474 HA SER 61 HA SER 61 -3.817 -26.578 -25.091 475 1HB SER 61 HB2 SER 61 -6.596 -25.338 -25.200 476 2HB SER 61 HB1 SER 61 -6.111 -26.870 -25.920 477 HG SER 61 HG SER 61 -5.396 -27.221 -23.539 478 H MET 62 HN MET 62 -4.706 -23.226 -25.521 479 HA MET 62 HA MET 62 -4.677 -23.096 -28.355 480 1HB MET 62 HB2 MET 62 -3.941 -21.006 -26.274 481 2HB MET 62 HB1 MET 62 -4.143 -20.672 -27.975 482 1HG MET 62 HG2 MET 62 -6.328 -21.924 -26.283 483 2HG MET 62 HG1 MET 62 -6.203 -20.198 -26.538 484 1HE MET 62 HE1 MET 62 -5.651 -19.375 -29.194 485 2HE MET 62 HE2 MET 62 -7.193 -18.979 -28.450 486 3HE MET 62 HE3 MET 62 -7.143 -19.565 -30.111 487 H LEU 63 HN LEU 63 -2.098 -23.276 -26.026 488 HA LEU 63 HA LEU 63 -0.000 -22.351 -27.653 489 1HB LEU 63 HB2 LEU 63 0.147 -24.539 -25.551 490 2HB LEU 63 HB1 LEU 63 1.493 -23.548 -26.116 491 HG LEU 63 HG LEU 63 -0.967 -22.522 -24.670 492 1HD1 LEU 63 HD11 LEU 63 1.881 -22.831 -23.689 493 2HD1 LEU 63 HD12 LEU 63 0.511 -23.836 -23.214 494 3HD1 LEU 63 HD13 LEU 63 0.541 -22.130 -22.776 495 1HD2 LEU 63 HD21 LEU 63 0.545 -20.401 -24.473 496 2HD2 LEU 63 HD22 LEU 63 -0.259 -20.690 -26.000 497 3HD2 LEU 63 HD23 LEU 63 1.444 -21.100 -25.813 498 H THR 64 HN THR 64 -1.430 -25.547 -27.313 499 HA THR 64 HA THR 64 0.304 -26.744 -29.374 500 HB THR 64 HB THR 64 -2.113 -27.959 -28.001 501 HG1 THR 64 HG1 THR 64 0.595 -27.802 -27.201 502 1HG2 THR 64 HG21 THR 64 -0.951 -30.075 -28.542 503 2HG2 THR 64 HG22 THR 64 0.353 -29.172 -29.308 504 3HG2 THR 64 HG23 THR 64 -1.265 -29.146 -30.005 505 H THR 65 HN THR 65 -3.208 -26.195 -28.968 506 HA THR 65 HA THR 65 -3.789 -26.922 -31.647 507 HB THR 65 HB THR 65 -5.418 -25.080 -29.853 508 HG1 THR 65 HG1 THR 65 -5.174 -26.818 -28.640 509 1HG2 THR 65 HG21 THR 65 -7.316 -26.048 -31.089 510 2HG2 THR 65 HG22 THR 65 -6.201 -26.998 -32.067 511 3HG2 THR 65 HG23 THR 65 -6.204 -25.239 -32.183 512 H GLY 66 HN GLY 66 -3.193 -23.766 -30.134 513 1HA GLY 66 HA2 GLY 66 -3.597 -22.311 -32.638 514 2HA GLY 66 HA1 GLY 66 -3.161 -21.630 -31.078 515 H GLU 67 HN GLU 67 -1.133 -24.070 -31.223 516 HA GLU 67 HA GLU 67 1.152 -24.209 -31.530 517 1HB GLU 67 HB2 GLU 67 0.342 -22.991 -34.182 518 2HB GLU 67 HB1 GLU 67 1.913 -23.730 -33.857 519 1HG GLU 67 HG2 GLU 67 0.806 -25.866 -33.324 520 2HG GLU 67 HG1 GLU 67 -0.766 -25.135 -33.640 521 H LEU 68 HN LEU 68 1.980 -22.782 -30.031 522 HA LEU 68 HA LEU 68 2.067 -19.923 -30.539 523 1HB LEU 68 HB2 LEU 68 1.975 -21.123 -28.233 524 2HB LEU 68 HB1 LEU 68 3.676 -21.430 -28.443 525 HG LEU 68 HG LEU 68 3.760 -18.781 -28.950 526 1HD1 LEU 68 HD11 LEU 68 1.321 -19.014 -27.149 527 2HD1 LEU 68 HD12 LEU 68 1.290 -18.473 -28.822 528 3HD1 LEU 68 HD13 LEU 68 2.129 -17.518 -27.611 529 1HD2 LEU 68 HD21 LEU 68 3.483 -19.884 -26.126 530 2HD2 LEU 68 HD22 LEU 68 4.217 -18.343 -26.551 531 3HD2 LEU 68 HD23 LEU 68 4.963 -19.845 -27.076 532 H ASN 69 HN ASN 69 3.797 -18.714 -31.153 533 HA ASN 69 HA ASN 69 6.322 -20.057 -31.939 534 1HB ASN 69 HB2 ASN 69 4.742 -18.144 -33.660 535 2HB ASN 69 HB1 ASN 69 6.320 -18.836 -34.049 536 1HD2 ASN 69 HD21 ASN 69 6.305 -21.405 -33.809 537 2HD2 ASN 69 HD22 ASN 69 4.951 -22.188 -34.470 538 HA PRO 70 HA PRO 70 7.046 -16.099 -29.534 539 1HB PRO 70 HB2 PRO 70 9.001 -17.043 -27.851 540 2HB PRO 70 HB1 PRO 70 7.278 -17.262 -27.512 541 1HG PRO 70 HG2 PRO 70 9.243 -19.220 -28.667 542 2HG PRO 70 HG1 PRO 70 7.956 -19.492 -27.470 543 1HD PRO 70 HD2 PRO 70 7.676 -20.130 -30.138 544 2HD PRO 70 HD1 PRO 70 6.287 -19.699 -29.120 545 H ARG 71 HN ARG 71 7.867 -15.252 -31.543 546 HA ARG 71 HA ARG 71 10.644 -14.770 -31.530 547 1HB ARG 71 HB2 ARG 71 10.548 -17.148 -32.507 548 2HB ARG 71 HB1 ARG 71 9.719 -16.471 -33.900 549 1HG ARG 71 HG2 ARG 71 11.658 -15.008 -34.350 550 2HG ARG 71 HG1 ARG 71 12.474 -15.623 -32.917 551 1HD ARG 71 HD2 ARG 71 11.611 -17.311 -35.283 552 2HD ARG 71 HD1 ARG 71 13.251 -16.725 -35.010 553 HE ARG 71 HE ARG 71 12.433 -18.076 -32.691 554 1HH1 ARG 71 HH21 ARG 71 13.071 -18.686 -36.036 555 2HH1 ARG 71 HH22 ARG 71 13.601 -20.315 -35.782 556 1HH2 ARG 71 HH11 ARG 71 13.125 -20.207 -32.345 557 2HH2 ARG 71 HH12 ARG 71 13.631 -21.177 -33.688 558 H HIS 72 HN HIS 72 7.504 -14.246 -32.609 559 HA HIS 72 HA HIS 72 8.304 -11.817 -34.075 560 1HB HIS 72 HB2 HIS 72 8.041 -13.661 -35.766 561 2HB HIS 72 HB1 HIS 72 6.369 -13.856 -35.250 562 HD1 HIS 72 HD1 HIS 72 4.773 -11.759 -35.646 563 HD2 HIS 72 HD2 HIS 72 8.510 -11.491 -37.471 564 HE1 HIS 72 HE1 HIS 72 4.620 -9.859 -37.312 565 HE2 HIS 72 HE2 HIS 72 6.892 -9.682 -38.435 566 H ALA 73 HN ALA 73 6.824 -10.195 -34.033 567 HA ALA 73 HA ALA 73 5.175 -9.966 -31.821 568 1HB ALA 73 HB1 ALA 73 4.244 -7.968 -32.935 569 2HB ALA 73 HB2 ALA 73 4.962 -8.488 -34.460 570 3HB ALA 73 HB3 ALA 73 5.999 -8.038 -33.107 571 H GLN 74 HN GLN 74 3.107 -10.626 -31.385 572 HA GLN 74 HA GLN 74 1.136 -11.045 -33.444 573 1HB GLN 74 HB2 GLN 74 2.521 -13.153 -33.565 574 2HB GLN 74 HB1 GLN 74 2.113 -13.475 -31.882 575 1HG GLN 74 HG2 GLN 74 -0.288 -13.521 -32.462 576 2HG GLN 74 HG1 GLN 74 0.105 -13.161 -34.141 577 1HE2 GLN 74 HE21 GLN 74 -1.164 -15.341 -34.311 578 2HE2 GLN 74 HE22 GLN 74 -0.229 -16.756 -34.257 579 H CYS 75 HN CYS 75 -0.906 -10.918 -32.545 580 HA CYS 75 HA CYS 75 -1.151 -10.948 -29.578 581 1HB CYS 75 HB2 CYS 75 -2.465 -8.972 -31.482 582 2HB CYS 75 HB1 CYS 75 -2.607 -9.002 -29.719 583 HG CYS 75 HG CYS 75 0.148 -8.519 -31.112 584 H VAL 76 HN VAL 76 -2.991 -11.924 -28.845 585 HA VAL 76 HA VAL 76 -5.046 -12.770 -30.810 586 HB VAL 76 HB VAL 76 -3.894 -14.551 -28.617 587 1HG1 VAL 76 HG11 VAL 76 -5.268 -16.316 -29.744 588 2HG1 VAL 76 HG12 VAL 76 -5.961 -15.077 -30.789 589 3HG1 VAL 76 HG13 VAL 76 -6.261 -15.040 -29.052 590 1HG2 VAL 76 HG21 VAL 76 -2.964 -15.858 -30.519 591 2HG2 VAL 76 HG22 VAL 76 -2.298 -14.229 -30.458 592 3HG2 VAL 76 HG23 VAL 76 -3.547 -14.626 -31.639 593 H THR 77 HN THR 77 -7.110 -12.462 -30.068 594 HA THR 77 HA THR 77 -7.491 -11.512 -27.262 595 HB THR 77 HB THR 77 -9.240 -11.021 -29.709 596 HG1 THR 77 HG1 THR 77 -7.211 -9.489 -28.480 597 1HG2 THR 77 HG21 THR 77 -10.462 -10.853 -27.582 598 2HG2 THR 77 HG22 THR 77 -10.212 -9.244 -28.250 599 3HG2 THR 77 HG23 THR 77 -9.207 -9.808 -26.916 600 H LEU 78 HN LEU 78 -8.440 -12.961 -25.998 601 HA LEU 78 HA LEU 78 -10.203 -15.048 -27.162 602 1HB LEU 78 HB2 LEU 78 -8.797 -15.045 -24.459 603 2HB LEU 78 HB1 LEU 78 -9.695 -16.365 -25.185 604 HG LEU 78 HG LEU 78 -7.868 -15.847 -27.206 605 1HD1 LEU 78 HD11 LEU 78 -6.337 -15.377 -24.625 606 2HD1 LEU 78 HD12 LEU 78 -6.713 -14.133 -25.816 607 3HD1 LEU 78 HD13 LEU 78 -5.662 -15.476 -26.254 608 1HD2 LEU 78 HD21 LEU 78 -7.445 -17.680 -24.822 609 2HD2 LEU 78 HD22 LEU 78 -6.582 -17.795 -26.357 610 3HD2 LEU 78 HD23 LEU 78 -8.319 -18.069 -26.305 611 H TYR 79 HN TYR 79 -12.274 -15.282 -26.316 612 HA TYR 79 HA TYR 79 -13.155 -13.449 -24.147 613 1HB TYR 79 HB2 TYR 79 -15.211 -13.033 -25.470 614 2HB TYR 79 HB1 TYR 79 -13.772 -12.425 -26.281 615 HD1 TYR 79 HD1 TYR 79 -12.793 -13.649 -28.235 616 HD2 TYR 79 HD2 TYR 79 -16.468 -14.937 -26.404 617 HE1 TYR 79 HE1 TYR 79 -13.288 -15.066 -30.212 618 HE2 TYR 79 HE2 TYR 79 -16.953 -16.350 -28.388 619 HH TYR 79 HH TYR 79 -15.650 -17.463 -30.217 620 H HIS 80 HN HIS 80 -14.177 -14.555 -22.604 621 HA HIS 80 HA HIS 80 -15.911 -16.815 -23.212 622 1HB HIS 80 HB2 HIS 80 -13.389 -17.158 -21.537 623 2HB HIS 80 HB1 HIS 80 -14.698 -18.338 -21.630 624 HD1 HIS 80 HD1 HIS 80 -11.890 -16.868 -23.647 625 HD2 HIS 80 HD2 HIS 80 -14.861 -19.759 -24.079 626 HE1 HIS 80 HE1 HIS 80 -11.331 -18.163 -25.752 627 HE2 HIS 80 HE2 HIS 80 -13.134 -19.929 -26.028 628 H ASN 81 HN ASN 81 -17.488 -17.016 -21.668 629 HA ASN 81 HA ASN 81 -18.844 -16.395 -19.937 630 1HB ASN 81 HB2 ASN 81 -17.028 -17.640 -18.731 631 2HB ASN 81 HB1 ASN 81 -16.226 -16.104 -18.427 632 1HD2 ASN 81 HD21 ASN 81 -19.391 -17.741 -17.926 633 2HD2 ASN 81 HD22 ASN 81 -19.743 -16.941 -16.471 634 H GLY 82 HN GLY 82 -18.011 -14.300 -21.728 635 1HA GLY 82 HA2 GLY 82 -18.494 -12.050 -21.904 636 2HA GLY 82 HA1 GLY 82 -18.861 -12.008 -20.182 637 H PHE 83 HN PHE 83 -16.182 -13.221 -19.528 638 HA PHE 83 HA PHE 83 -14.665 -10.788 -19.272 639 1HB PHE 83 HB2 PHE 83 -14.087 -13.703 -18.687 640 2HB PHE 83 HB1 PHE 83 -12.894 -12.448 -18.399 641 HD1 PHE 83 HD1 PHE 83 -13.405 -10.566 -16.801 642 HD2 PHE 83 HD2 PHE 83 -15.967 -14.002 -17.170 643 HE1 PHE 83 HE1 PHE 83 -14.488 -9.997 -14.650 644 HE2 PHE 83 HE2 PHE 83 -17.042 -13.427 -15.012 645 HZ PHE 83 HZ PHE 83 -16.303 -11.424 -13.754 646 H THR 84 HN THR 84 -12.684 -10.288 -20.232 647 HA THR 84 HA THR 84 -11.867 -11.815 -22.634 648 HB THR 84 HB THR 84 -12.258 -8.793 -22.575 649 HG1 THR 84 HG1 THR 84 -13.924 -10.903 -23.182 650 1HG2 THR 84 HG21 THR 84 -10.503 -9.592 -24.131 651 2HG2 THR 84 HG22 THR 84 -11.905 -8.994 -25.010 652 3HG2 THR 84 HG23 THR 84 -11.652 -10.725 -24.836 653 H CYS 85 HN CYS 85 -9.833 -12.367 -22.163 654 HA CYS 85 HA CYS 85 -8.089 -10.548 -20.619 655 1HB CYS 85 HB2 CYS 85 -7.661 -13.457 -21.402 656 2HB CYS 85 HB1 CYS 85 -6.634 -12.504 -20.328 657 HG CYS 85 HG CYS 85 -9.354 -13.713 -19.599 658 H GLU 86 HN GLU 86 -6.111 -9.780 -21.567 659 HA GLU 86 HA GLU 86 -5.885 -10.160 -24.494 660 1HB GLU 86 HB2 GLU 86 -6.218 -7.831 -23.632 661 2HB GLU 86 HB1 GLU 86 -4.719 -7.976 -22.720 662 1HG GLU 86 HG2 GLU 86 -3.457 -8.316 -24.812 663 2HG GLU 86 HG1 GLU 86 -4.952 -8.242 -25.740 664 H ALA 87 HN ALA 87 -3.942 -10.829 -25.343 665 HA ALA 87 HA ALA 87 -1.622 -11.335 -23.564 666 1HB ALA 87 HB1 ALA 87 -2.978 -13.404 -25.323 667 2HB ALA 87 HB2 ALA 87 -2.891 -13.434 -23.564 668 3HB ALA 87 HB3 ALA 87 -1.423 -13.635 -24.524 669 H ASP 88 HN ASP 88 0.367 -11.463 -24.678 670 HA ASP 88 HA ASP 88 0.468 -11.357 -27.545 671 1HB ASP 88 HB2 ASP 88 -0.156 -8.996 -26.970 672 2HB ASP 88 HB1 ASP 88 1.311 -8.863 -26.009 673 H THR 89 HN THR 89 2.499 -12.022 -28.237 674 HA THR 89 HA THR 89 4.387 -12.858 -26.166 675 HB THR 89 HB THR 89 5.525 -14.003 -28.062 676 HG1 THR 89 HG1 THR 89 4.538 -12.248 -29.513 677 1HG2 THR 89 HG21 THR 89 3.703 -15.597 -28.523 678 2HG2 THR 89 HG22 THR 89 2.522 -14.429 -27.930 679 3HG2 THR 89 HG23 THR 89 3.707 -15.128 -26.820 680 H LEU 90 HN LEU 90 3.966 -10.219 -28.337 681 HA LEU 90 HA LEU 90 5.234 -8.438 -28.897 682 1HB LEU 90 HB2 LEU 90 6.926 -9.256 -26.514 683 2HB LEU 90 HB1 LEU 90 6.893 -7.670 -27.257 684 HG LEU 90 HG LEU 90 4.463 -8.995 -25.977 685 1HD1 LEU 90 HD11 LEU 90 4.821 -7.445 -24.093 686 2HD1 LEU 90 HD12 LEU 90 6.302 -6.854 -24.852 687 3HD1 LEU 90 HD13 LEU 90 6.200 -8.523 -24.293 688 1HD2 LEU 90 HD21 LEU 90 3.741 -7.324 -27.575 689 2HD2 LEU 90 HD22 LEU 90 4.963 -6.184 -27.046 690 3HD2 LEU 90 HD23 LEU 90 3.602 -6.582 -26.002 691 H GLY 91 HN GLY 91 6.125 -11.418 -29.455 692 1HA GLY 91 HA2 GLY 91 7.595 -12.354 -30.936 693 2HA GLY 91 HA1 GLY 91 8.189 -10.739 -31.322 694 H SER 92 HN SER 92 8.108 -11.689 -28.001 695 HA SER 92 HA SER 92 10.898 -11.349 -27.599 696 1HB SER 92 HB2 SER 92 9.171 -11.102 -25.813 697 2HB SER 92 HB1 SER 92 8.917 -12.842 -25.850 698 HG SER 92 HG SER 92 11.134 -11.347 -24.988 699 H CYS 93 HN CYS 93 11.130 -13.792 -25.880 700 HA CYS 93 HA CYS 93 11.228 -16.075 -27.639 701 1HB CYS 93 HB2 CYS 93 13.718 -16.256 -27.638 702 2HB CYS 93 HB1 CYS 93 13.138 -14.863 -28.551 703 HG CYS 93 HG CYS 93 15.133 -14.402 -26.650 704 H GLY 94 HN GLY 94 10.476 -17.469 -26.159 705 1HA GLY 94 HA2 GLY 94 10.502 -18.891 -24.333 706 2HA GLY 94 HA1 GLY 94 12.088 -18.257 -23.913 707 H TYR 95 HN TYR 95 9.314 -16.165 -24.361 708 HA TYR 95 HA TYR 95 8.712 -15.964 -21.514 709 1HB TYR 95 HB2 TYR 95 9.775 -13.552 -23.032 710 2HB TYR 95 HB1 TYR 95 9.174 -13.565 -21.378 711 HD1 TYR 95 HD1 TYR 95 12.139 -13.918 -23.370 712 HD2 TYR 95 HD2 TYR 95 10.277 -15.287 -19.736 713 HE1 TYR 95 HE1 TYR 95 14.349 -14.617 -22.493 714 HE2 TYR 95 HE2 TYR 95 12.491 -15.970 -18.869 715 HH TYR 95 HH TYR 95 15.042 -15.089 -19.450 716 H VAL 96 HN VAL 96 6.741 -15.027 -21.132 717 HA VAL 96 HA VAL 96 5.124 -14.020 -23.397 718 HB VAL 96 HB VAL 96 3.237 -15.474 -22.652 719 1HG1 VAL 96 HG11 VAL 96 4.063 -17.532 -23.701 720 2HG1 VAL 96 HG12 VAL 96 5.728 -17.023 -23.445 721 3HG1 VAL 96 HG13 VAL 96 4.696 -16.129 -24.561 722 1HG2 VAL 96 HG21 VAL 96 5.380 -16.801 -20.949 723 2HG2 VAL 96 HG22 VAL 96 3.764 -17.440 -21.218 724 3HG2 VAL 96 HG23 VAL 96 3.970 -15.934 -20.345 725 H TYR 97 HN TYR 97 3.694 -12.456 -22.822 726 HA TYR 97 HA TYR 97 3.449 -11.718 -19.944 727 1HB TYR 97 HB2 TYR 97 3.516 -9.682 -22.198 728 2HB TYR 97 HB1 TYR 97 3.696 -9.412 -20.470 729 HD1 TYR 97 HD1 TYR 97 5.313 -10.869 -23.488 730 HD2 TYR 97 HD2 TYR 97 5.866 -9.752 -19.375 731 HE1 TYR 97 HE1 TYR 97 7.758 -11.179 -23.721 732 HE2 TYR 97 HE2 TYR 97 8.308 -10.048 -19.620 733 HH TYR 97 HH TYR 97 9.781 -11.665 -21.495 734 H ILE 98 HN ILE 98 1.404 -11.468 -19.286 735 HA ILE 98 HA ILE 98 -0.761 -10.965 -21.221 736 HB ILE 98 HB ILE 98 -2.141 -12.748 -20.163 737 1HG1 ILE 98 HG12 ILE 98 0.445 -13.574 -18.768 738 2HG1 ILE 98 HG11 ILE 98 -0.891 -12.772 -17.957 739 1HG2 ILE 98 HG21 ILE 98 -1.060 -14.640 -21.265 740 2HG2 ILE 98 HG22 ILE 98 0.504 -13.831 -21.205 741 3HG2 ILE 98 HG23 ILE 98 -0.778 -13.197 -22.227 742 1HD1 ILE 98 HD11 ILE 98 -0.985 -15.482 -19.290 743 2HD1 ILE 98 HD12 ILE 98 -2.389 -14.650 -18.618 744 3HD1 ILE 98 HD13 ILE 98 -1.069 -15.144 -17.565 745 H ALA 99 HN ALA 99 -2.757 -10.355 -20.144 746 HA ALA 99 HA ALA 99 -2.611 -9.392 -17.384 747 1HB ALA 99 HB1 ALA 99 -3.022 -7.508 -19.742 748 2HB ALA 99 HB2 ALA 99 -1.615 -7.518 -18.682 749 3HB ALA 99 HB3 ALA 99 -3.194 -7.075 -18.042 750 H VAL 100 HN VAL 100 -4.555 -9.095 -16.486 751 HA VAL 100 HA VAL 100 -6.981 -9.836 -18.071 752 HB VAL 100 HB VAL 100 -6.368 -10.609 -15.190 753 1HG1 VAL 100 HG11 VAL 100 -8.379 -12.084 -15.513 754 2HG1 VAL 100 HG12 VAL 100 -8.651 -11.317 -17.076 755 3HG1 VAL 100 HG13 VAL 100 -8.777 -10.370 -15.598 756 1HG2 VAL 100 HG21 VAL 100 -4.911 -11.810 -16.759 757 2HG2 VAL 100 HG22 VAL 100 -6.303 -12.251 -17.746 758 3HG2 VAL 100 HG23 VAL 100 -6.133 -12.900 -16.114 759 H TYR 101 HN TYR 101 -8.666 -8.544 -17.824 760 HA TYR 101 HA TYR 101 -8.869 -6.762 -15.517 761 1HB TYR 101 HB2 TYR 101 -9.344 -4.797 -17.002 762 2HB TYR 101 HB1 TYR 101 -7.686 -5.365 -17.072 763 HD1 TYR 101 HD1 TYR 101 -10.917 -5.255 -18.884 764 HD2 TYR 101 HD2 TYR 101 -6.794 -6.477 -19.072 765 HE1 TYR 101 HE1 TYR 101 -11.125 -5.623 -21.327 766 HE2 TYR 101 HE2 TYR 101 -7.013 -6.839 -21.509 767 HH TYR 101 HH TYR 101 -9.601 -5.661 -23.307 768 HA PRO 102 HA PRO 102 -13.117 -8.010 -16.039 769 1HB PRO 102 HB2 PRO 102 -14.449 -6.084 -14.559 770 2HB PRO 102 HB1 PRO 102 -13.480 -7.368 -13.809 771 1HG PRO 102 HG2 PRO 102 -12.708 -4.514 -14.387 772 2HG PRO 102 HG1 PRO 102 -12.425 -5.477 -12.915 773 1HD PRO 102 HD2 PRO 102 -10.456 -5.126 -14.795 774 2HD PRO 102 HD1 PRO 102 -10.602 -6.642 -13.857 775 H THR 103 HN THR 103 -14.750 -7.685 -17.533 776 HA THR 103 HA THR 103 -14.516 -5.445 -19.403 777 HB THR 103 HB THR 103 -16.353 -6.629 -20.580 778 HG1 THR 103 HG1 THR 103 -16.180 -8.807 -18.904 779 1HG2 THR 103 HG21 THR 103 -15.068 -8.651 -21.130 780 2HG2 THR 103 HG22 THR 103 -14.112 -8.457 -19.665 781 3HG2 THR 103 HG23 THR 103 -13.985 -7.274 -20.964 782 H GLN 104 HN GLN 104 -15.954 -3.790 -19.621 783 HA GLN 104 HA GLN 104 -17.714 -3.225 -17.337 784 1HB GLN 104 HB2 GLN 104 -16.148 -1.491 -18.269 785 2HB GLN 104 HB1 GLN 104 -17.071 -1.510 -19.770 786 1HG GLN 104 HG2 GLN 104 -19.100 -0.810 -18.553 787 2HG GLN 104 HG1 GLN 104 -18.214 -0.847 -17.032 788 1HE2 GLN 104 HE21 GLN 104 -19.501 1.510 -18.079 789 2HE2 GLN 104 HE22 GLN 104 -18.291 2.651 -18.415 790 H ARG 105 HN ARG 105 -19.500 -4.532 -17.593 791 HA ARG 105 HA ARG 105 -20.856 -5.063 -20.006 792 1HB ARG 105 HB2 ARG 105 -21.904 -4.978 -17.162 793 2HB ARG 105 HB1 ARG 105 -22.736 -5.730 -18.526 794 1HG ARG 105 HG2 ARG 105 -20.850 -7.284 -18.841 795 2HG ARG 105 HG1 ARG 105 -19.986 -6.523 -17.503 796 1HD ARG 105 HD2 ARG 105 -21.091 -8.560 -16.716 797 2HD ARG 105 HD1 ARG 105 -21.846 -7.152 -15.972 798 HE ARG 105 HE ARG 105 -23.226 -7.812 -18.360 799 1HH1 ARG 105 HH21 ARG 105 -22.650 -8.971 -15.143 800 2HH1 ARG 105 HH22 ARG 105 -24.169 -9.794 -15.022 801 1HH2 ARG 105 HH11 ARG 105 -25.220 -8.888 -18.200 802 2HH2 ARG 105 HH12 ARG 105 -25.622 -9.747 -16.750 Start of MODEL 5 1 1H MET 1 HT1 MET 1 13.275 1.844 -4.355 2 2H MET 1 HT2 MET 1 13.965 2.084 -5.889 3 3H MET 1 HT3 MET 1 14.118 0.582 -5.112 4 HA MET 1 HA MET 1 12.031 1.539 -6.787 5 1HB MET 1 HB2 MET 1 12.641 -1.123 -5.445 6 2HB MET 1 HB1 MET 1 11.426 -0.899 -6.702 7 1HG MET 1 HG2 MET 1 13.184 -0.107 -8.257 8 2HG MET 1 HG1 MET 1 14.394 -0.335 -6.997 9 1HE MET 1 HE1 MET 1 12.291 -3.521 -9.530 10 2HE MET 1 HE2 MET 1 12.645 -1.851 -9.961 11 3HE MET 1 HE3 MET 1 11.408 -2.199 -8.759 12 H SER 2 HN SER 2 11.148 3.101 -5.137 13 HA SER 2 HA SER 2 9.859 2.262 -2.770 14 1HB SER 2 HB2 SER 2 8.631 4.407 -2.938 15 2HB SER 2 HB1 SER 2 10.353 4.619 -3.245 16 HG SER 2 HG SER 2 8.889 5.645 -4.783 17 H ASN 3 HN ASN 3 8.707 2.543 -6.115 18 HA ASN 3 HA ASN 3 6.014 1.624 -5.409 19 1HB ASN 3 HB2 ASN 3 7.265 2.292 -8.094 20 2HB ASN 3 HB1 ASN 3 5.559 1.945 -7.817 21 1HD2 ASN 3 HD21 ASN 3 7.933 4.446 -7.795 22 2HD2 ASN 3 HD22 ASN 3 6.964 5.655 -7.101 23 H THR 4 HN THR 4 7.752 -0.333 -4.661 24 HA THR 4 HA THR 4 8.549 -2.202 -6.555 25 HB THR 4 HB THR 4 7.552 -2.798 -3.747 26 HG1 THR 4 HG1 THR 4 10.188 -2.661 -3.986 27 1HG2 THR 4 HG21 THR 4 9.194 -4.669 -3.896 28 2HG2 THR 4 HG22 THR 4 9.486 -4.261 -5.585 29 3HG2 THR 4 HG23 THR 4 7.899 -4.840 -5.077 30 H THR 5 HN THR 5 6.918 -2.508 -8.166 31 HA THR 5 HA THR 5 4.578 -4.168 -7.358 32 HB THR 5 HB THR 5 3.170 -2.926 -8.949 33 HG1 THR 5 HG1 THR 5 4.223 -1.825 -10.375 34 1HG2 THR 5 HG21 THR 5 4.532 -1.078 -6.963 35 2HG2 THR 5 HG22 THR 5 3.249 -2.219 -6.559 36 3HG2 THR 5 HG23 THR 5 2.921 -0.867 -7.643 37 H TRP 6 HN TRP 6 4.406 -5.948 -8.520 38 HA TRP 6 HA TRP 6 6.166 -6.487 -10.805 39 1HB TRP 6 HB2 TRP 6 3.998 -8.276 -9.641 40 2HB TRP 6 HB1 TRP 6 5.397 -8.743 -10.609 41 HD1 TRP 6 HD1 TRP 6 4.318 -8.156 -7.071 42 HE1 TRP 6 HE1 TRP 6 6.315 -8.479 -5.476 43 HE3 TRP 6 HE3 TRP 6 8.138 -8.346 -10.461 44 HZ2 TRP 6 HZ2 TRP 6 9.153 -8.778 -5.615 45 HZ3 TRP 6 HZ3 TRP 6 10.477 -8.650 -9.698 46 HH2 TRP 6 HH2 TRP 6 10.988 -8.866 -7.282 47 H GLY 7 HN GLY 7 5.450 -7.107 -12.836 48 1HA GLY 7 HA2 GLY 7 3.950 -7.306 -14.617 49 2HA GLY 7 HA1 GLY 7 2.652 -6.663 -13.624 50 H LEU 8 HN LEU 8 2.650 -5.620 -16.006 51 HA LEU 8 HA LEU 8 4.423 -3.491 -16.564 52 1HB LEU 8 HB2 LEU 8 1.612 -4.198 -17.459 53 2HB LEU 8 HB1 LEU 8 2.311 -2.659 -17.957 54 HG LEU 8 HG LEU 8 4.217 -3.863 -18.987 55 1HD1 LEU 8 HD11 LEU 8 4.005 -6.379 -19.250 56 2HD1 LEU 8 HD12 LEU 8 2.725 -6.337 -18.036 57 3HD1 LEU 8 HD13 LEU 8 4.363 -5.840 -17.617 58 1HD2 LEU 8 HD21 LEU 8 2.947 -4.869 -20.862 59 2HD2 LEU 8 HD22 LEU 8 2.206 -3.356 -20.339 60 3HD2 LEU 8 HD23 LEU 8 1.494 -4.898 -19.862 61 H GLN 9 HN GLN 9 4.364 -1.345 -16.157 62 HA GLN 9 HA GLN 9 2.980 -0.501 -13.703 63 1HB GLN 9 HB2 GLN 9 4.435 1.481 -13.845 64 2HB GLN 9 HB1 GLN 9 5.358 -0.019 -13.898 65 1HG GLN 9 HG2 GLN 9 5.389 0.207 -16.441 66 2HG GLN 9 HG1 GLN 9 4.703 1.813 -16.241 67 1HE2 GLN 9 HE21 GLN 9 7.609 -0.134 -15.594 68 2HE2 GLN 9 HE22 GLN 9 8.627 1.196 -15.324 69 H ARG 10 HN ARG 10 1.048 0.550 -13.800 70 HA ARG 10 HA ARG 10 0.575 2.477 -15.959 71 1HB ARG 10 HB2 ARG 10 -1.457 0.279 -15.312 72 2HB ARG 10 HB1 ARG 10 -1.652 1.566 -16.496 73 1HG ARG 10 HG2 ARG 10 0.244 0.648 -17.805 74 2HG ARG 10 HG1 ARG 10 0.410 -0.654 -16.631 75 1HD ARG 10 HD2 ARG 10 -1.895 -1.398 -17.114 76 2HD ARG 10 HD1 ARG 10 -2.040 -0.129 -18.329 77 HE ARG 10 HE ARG 10 0.240 -1.573 -19.004 78 1HH1 ARG 10 HH21 ARG 10 -3.150 -2.196 -18.606 79 2HH1 ARG 10 HH22 ARG 10 -3.189 -3.479 -19.767 80 1HH2 ARG 10 HH11 ARG 10 0.178 -3.256 -20.531 81 2HH2 ARG 10 HH12 ARG 10 -1.314 -4.074 -20.855 82 H ASP 11 HN ASP 11 -0.478 4.245 -15.240 83 HA ASP 11 HA ASP 11 -0.719 4.752 -12.514 84 1HB ASP 11 HB2 ASP 11 -0.433 6.479 -14.234 85 2HB ASP 11 HB1 ASP 11 -2.064 6.178 -14.825 86 H ILE 12 HN ILE 12 -3.081 3.813 -14.922 87 HA ILE 12 HA ILE 12 -5.417 4.060 -13.226 88 HB ILE 12 HB ILE 12 -6.406 2.558 -15.263 89 1HG1 ILE 12 HG12 ILE 12 -3.918 2.275 -16.105 90 2HG1 ILE 12 HG11 ILE 12 -5.182 2.570 -17.279 91 1HG2 ILE 12 HG21 ILE 12 -7.202 4.795 -14.872 92 2HG2 ILE 12 HG22 ILE 12 -6.731 4.708 -16.570 93 3HG2 ILE 12 HG23 ILE 12 -5.677 5.503 -15.400 94 1HD1 ILE 12 HD11 ILE 12 -2.884 3.938 -17.317 95 2HD1 ILE 12 HD12 ILE 12 -3.749 4.991 -16.202 96 3HD1 ILE 12 HD13 ILE 12 -4.406 4.674 -17.803 97 H THR 13 HN THR 13 -6.297 2.659 -11.889 98 HA THR 13 HA THR 13 -5.066 0.134 -11.253 99 HB THR 13 HB THR 13 -7.659 0.357 -9.980 100 HG1 THR 13 HG1 THR 13 -7.906 2.399 -9.591 101 1HG2 THR 13 HG21 THR 13 -6.354 0.793 -7.946 102 2HG2 THR 13 HG22 THR 13 -4.928 1.162 -8.915 103 3HG2 THR 13 HG23 THR 13 -5.582 -0.476 -8.897 104 HA PRO 14 HA PRO 14 -9.647 -1.140 -13.367 105 1HB PRO 14 HB2 PRO 14 -8.562 0.618 -15.594 106 2HB PRO 14 HB1 PRO 14 -10.226 0.015 -15.365 107 1HG PRO 14 HG2 PRO 14 -9.667 2.444 -14.547 108 2HG PRO 14 HG1 PRO 14 -10.571 1.371 -13.452 109 1HD PRO 14 HD2 PRO 14 -7.719 2.249 -13.262 110 2HD PRO 14 HD1 PRO 14 -8.812 1.784 -11.948 111 H ARG 15 HN ARG 15 -6.464 -0.562 -14.877 112 HA ARG 15 HA ARG 15 -6.607 -3.149 -16.274 113 1HB ARG 15 HB2 ARG 15 -4.502 -0.953 -16.407 114 2HB ARG 15 HB1 ARG 15 -4.579 -2.378 -17.444 115 1HG ARG 15 HG2 ARG 15 -6.776 -1.647 -18.300 116 2HG ARG 15 HG1 ARG 15 -6.713 -0.228 -17.254 117 1HD ARG 15 HD2 ARG 15 -6.000 0.432 -19.486 118 2HD ARG 15 HD1 ARG 15 -4.592 0.469 -18.425 119 HE ARG 15 HE ARG 15 -4.783 -2.084 -19.633 120 1HH1 ARG 15 HH21 ARG 15 -4.074 1.233 -20.394 121 2HH1 ARG 15 HH22 ARG 15 -3.062 0.840 -21.743 122 1HH2 ARG 15 HH11 ARG 15 -3.464 -2.585 -21.395 123 2HH2 ARG 15 HH12 ARG 15 -2.719 -1.317 -22.310 124 H LEU 16 HN LEU 16 -5.329 -4.876 -15.732 125 HA LEU 16 HA LEU 16 -3.414 -4.615 -13.449 126 1HB LEU 16 HB2 LEU 16 -5.490 -5.750 -12.768 127 2HB LEU 16 HB1 LEU 16 -5.337 -6.881 -14.101 128 HG LEU 16 HG LEU 16 -2.907 -6.754 -12.317 129 1HD1 LEU 16 HD11 LEU 16 -3.901 -8.124 -10.519 130 2HD1 LEU 16 HD12 LEU 16 -5.493 -7.943 -11.258 131 3HD1 LEU 16 HD13 LEU 16 -4.661 -6.535 -10.601 132 1HD2 LEU 16 HD21 LEU 16 -4.582 -9.118 -13.271 133 2HD2 LEU 16 HD22 LEU 16 -2.961 -9.187 -12.579 134 3HD2 LEU 16 HD23 LEU 16 -3.214 -8.449 -14.155 135 H GLY 17 HN GLY 17 -1.450 -5.322 -13.777 136 1HA GLY 17 HA2 GLY 17 -0.726 -6.538 -16.371 137 2HA GLY 17 HA1 GLY 17 0.369 -5.789 -15.213 138 H ALA 18 HN ALA 18 0.910 -8.244 -16.335 139 HA ALA 18 HA ALA 18 1.405 -9.870 -14.035 140 1HB ALA 18 HB1 ALA 18 -0.772 -10.753 -15.954 141 2HB ALA 18 HB2 ALA 18 -0.946 -10.469 -14.228 142 3HB ALA 18 HB3 ALA 18 0.013 -11.831 -14.801 143 H ARG 19 HN ARG 19 3.163 -11.179 -14.527 144 HA ARG 19 HA ARG 19 3.680 -11.855 -17.362 145 1HB ARG 19 HB2 ARG 19 5.792 -10.740 -15.457 146 2HB ARG 19 HB1 ARG 19 6.066 -11.261 -17.122 147 1HG ARG 19 HG2 ARG 19 4.565 -9.485 -17.936 148 2HG ARG 19 HG1 ARG 19 4.258 -8.983 -16.285 149 1HD ARG 19 HD2 ARG 19 7.027 -9.015 -17.531 150 2HD ARG 19 HD1 ARG 19 6.014 -7.585 -17.420 151 HE ARG 19 HE ARG 19 6.222 -8.701 -14.851 152 1HH1 ARG 19 HH21 ARG 19 8.185 -7.151 -17.265 153 2HH1 ARG 19 HH22 ARG 19 9.304 -6.492 -16.118 154 1HH2 ARG 19 HH11 ARG 19 7.692 -7.839 -13.361 155 2HH2 ARG 19 HH12 ARG 19 9.025 -6.881 -13.914 156 H LEU 20 HN LEU 20 4.241 -13.879 -17.639 157 HA LEU 20 HA LEU 20 4.949 -15.582 -15.298 158 1HB LEU 20 HB2 LEU 20 3.729 -16.407 -17.963 159 2HB LEU 20 HB1 LEU 20 3.893 -17.395 -16.511 160 HG LEU 20 HG LEU 20 2.150 -14.913 -16.804 161 1HD1 LEU 20 HD11 LEU 20 1.426 -17.846 -16.530 162 2HD1 LEU 20 HD12 LEU 20 1.285 -16.881 -18.000 163 3HD1 LEU 20 HD13 LEU 20 0.280 -16.507 -16.600 164 1HD2 LEU 20 HD21 LEU 20 2.708 -16.720 -14.416 165 2HD2 LEU 20 HD22 LEU 20 1.248 -15.735 -14.521 166 3HD2 LEU 20 HD23 LEU 20 2.820 -14.961 -14.505 167 H VAL 21 HN VAL 21 6.492 -17.173 -15.574 168 HA VAL 21 HA VAL 21 8.535 -16.655 -17.685 169 HB VAL 21 HB VAL 21 8.863 -17.939 -14.954 170 1HG1 VAL 21 HG11 VAL 21 10.861 -17.247 -17.136 171 2HG1 VAL 21 HG12 VAL 21 10.497 -18.853 -16.512 172 3HG1 VAL 21 HG13 VAL 21 11.322 -17.681 -15.490 173 1HG2 VAL 21 HG21 VAL 21 8.406 -15.526 -14.798 174 2HG2 VAL 21 HG22 VAL 21 9.674 -15.201 -15.979 175 3HG2 VAL 21 HG23 VAL 21 10.091 -15.859 -14.398 176 H GLN 22 HN GLN 22 9.131 -18.302 -18.976 177 HA GLN 22 HA GLN 22 7.397 -20.591 -19.209 178 1HB GLN 22 HB2 GLN 22 8.466 -19.368 -21.153 179 2HB GLN 22 HB1 GLN 22 10.016 -20.042 -20.665 180 1HG GLN 22 HG2 GLN 22 9.107 -21.461 -22.418 181 2HG GLN 22 HG1 GLN 22 9.005 -22.359 -20.910 182 1HE2 GLN 22 HE21 GLN 22 7.088 -23.559 -21.075 183 2HE2 GLN 22 HE22 GLN 22 5.584 -22.911 -21.523 184 H GLU 23 HN GLU 23 7.790 -22.690 -18.643 185 HA GLU 23 HA GLU 23 10.355 -23.743 -17.942 186 1HB GLU 23 HB2 GLU 23 9.917 -22.320 -15.921 187 2HB GLU 23 HB1 GLU 23 8.453 -23.247 -15.617 188 1HG GLU 23 HG2 GLU 23 9.794 -25.311 -15.380 189 2HG GLU 23 HG1 GLU 23 11.260 -24.405 -15.740 190 H GLY 24 HN GLY 24 9.994 -25.638 -18.963 191 1HA GLY 24 HA2 GLY 24 9.175 -27.753 -19.344 192 2HA GLY 24 HA1 GLY 24 8.186 -27.582 -17.894 193 H ASN 25 HN ASN 25 6.660 -28.780 -19.415 194 HA ASN 25 HA ASN 25 5.430 -27.164 -21.504 195 1HB ASN 25 HB2 ASN 25 4.676 -29.885 -20.378 196 2HB ASN 25 HB1 ASN 25 3.952 -29.138 -21.802 197 1HD2 ASN 25 HD21 ASN 25 4.840 -31.187 -22.886 198 2HD2 ASN 25 HD22 ASN 25 6.450 -31.157 -23.420 199 H GLN 26 HN GLN 26 5.355 -26.383 -18.577 200 HA GLN 26 HA GLN 26 2.462 -25.800 -18.443 201 1HB GLN 26 HB2 GLN 26 3.021 -27.878 -17.048 202 2HB GLN 26 HB1 GLN 26 4.025 -26.842 -16.040 203 1HG GLN 26 HG2 GLN 26 1.859 -27.004 -14.964 204 2HG GLN 26 HG1 GLN 26 1.969 -25.383 -15.644 205 1HE2 GLN 26 HE21 GLN 26 -0.200 -24.950 -16.223 206 2HE2 GLN 26 HE22 GLN 26 -1.129 -25.950 -17.232 207 H LEU 27 HN LEU 27 2.000 -23.838 -17.530 208 HA LEU 27 HA LEU 27 4.277 -22.009 -17.041 209 1HB LEU 27 HB2 LEU 27 1.309 -21.382 -17.303 210 2HB LEU 27 HB1 LEU 27 2.646 -20.233 -17.356 211 HG LEU 27 HG LEU 27 2.112 -22.444 -19.378 212 1HD1 LEU 27 HD11 LEU 27 1.838 -19.429 -19.599 213 2HD1 LEU 27 HD12 LEU 27 0.506 -20.583 -19.517 214 3HD1 LEU 27 HD13 LEU 27 1.584 -20.579 -20.912 215 1HD2 LEU 27 HD21 LEU 27 3.925 -21.112 -20.704 216 2HD2 LEU 27 HD22 LEU 27 4.479 -22.149 -19.402 217 3HD2 LEU 27 HD23 LEU 27 4.364 -20.407 -19.146 218 H HIS 28 HN HIS 28 4.722 -21.171 -15.103 219 HA HIS 28 HA HIS 28 3.273 -22.143 -12.720 220 1HB HIS 28 HB2 HIS 28 5.881 -20.639 -13.092 221 2HB HIS 28 HB1 HIS 28 5.237 -21.185 -11.542 222 HD1 HIS 28 HD1 HIS 28 6.094 -22.720 -14.936 223 HD2 HIS 28 HD2 HIS 28 6.034 -23.743 -10.895 224 HE1 HIS 28 HE1 HIS 28 6.994 -25.083 -14.779 225 HE2 HIS 28 HE2 HIS 28 6.965 -25.720 -12.323 226 H TYR 29 HN TYR 29 1.666 -20.893 -11.930 227 HA TYR 29 HA TYR 29 1.694 -17.952 -12.360 228 1HB TYR 29 HB2 TYR 29 -0.394 -19.083 -13.003 229 2HB TYR 29 HB1 TYR 29 -0.515 -19.824 -11.410 230 HD1 TYR 29 HD1 TYR 29 -0.647 -16.588 -13.259 231 HD2 TYR 29 HD2 TYR 29 -1.304 -18.532 -9.480 232 HE1 TYR 29 HE1 TYR 29 -1.760 -14.545 -12.396 233 HE2 TYR 29 HE2 TYR 29 -2.428 -16.494 -8.633 234 HH TYR 29 HH TYR 29 -3.332 -14.511 -9.233 235 H LEU 30 HN LEU 30 2.909 -17.027 -10.858 236 HA LEU 30 HA LEU 30 2.916 -17.922 -8.046 237 1HB LEU 30 HB2 LEU 30 4.587 -16.072 -9.743 238 2HB LEU 30 HB1 LEU 30 4.660 -15.921 -7.993 239 HG LEU 30 HG LEU 30 6.465 -17.364 -8.900 240 1HD1 LEU 30 HD11 LEU 30 6.441 -18.901 -7.186 241 2HD1 LEU 30 HD12 LEU 30 4.755 -19.350 -7.410 242 3HD1 LEU 30 HD13 LEU 30 5.169 -17.842 -6.595 243 1HD2 LEU 30 HD21 LEU 30 4.273 -19.293 -9.733 244 2HD2 LEU 30 HD22 LEU 30 6.006 -19.470 -9.986 245 3HD2 LEU 30 HD23 LEU 30 5.117 -18.223 -10.857 246 H ALA 31 HN ALA 31 1.306 -17.171 -6.838 247 HA ALA 31 HA ALA 31 -0.347 -14.967 -7.372 248 1HB ALA 31 HB1 ALA 31 -0.964 -16.817 -5.883 249 2HB ALA 31 HB2 ALA 31 -1.107 -15.270 -5.049 250 3HB ALA 31 HB3 ALA 31 0.277 -16.319 -4.734 251 H ASP 32 HN ASP 32 2.614 -15.306 -5.494 252 HA ASP 32 HA ASP 32 2.570 -12.746 -4.240 253 1HB ASP 32 HB2 ASP 32 4.883 -14.612 -4.861 254 2HB ASP 32 HB1 ASP 32 4.963 -13.234 -3.766 255 H ARG 33 HN ARG 33 3.113 -13.702 -7.456 256 HA ARG 33 HA ARG 33 4.704 -11.270 -8.115 257 1HB ARG 33 HB2 ARG 33 5.590 -13.565 -8.762 258 2HB ARG 33 HB1 ARG 33 4.211 -13.721 -9.836 259 1HG ARG 33 HG2 ARG 33 5.309 -12.532 -11.487 260 2HG ARG 33 HG1 ARG 33 5.468 -11.152 -10.418 261 1HD ARG 33 HD2 ARG 33 7.524 -12.200 -9.439 262 2HD ARG 33 HD1 ARG 33 7.387 -13.494 -10.625 263 HE ARG 33 HE ARG 33 7.366 -11.026 -11.992 264 1HH1 ARG 33 HH21 ARG 33 9.473 -13.014 -10.075 265 2HH1 ARG 33 HH22 ARG 33 10.920 -12.457 -10.847 266 1HH2 ARG 33 HH11 ARG 33 9.271 -10.300 -12.998 267 2HH2 ARG 33 HH12 ARG 33 10.805 -10.927 -12.495 268 H ALA 34 HN ALA 34 2.263 -10.532 -7.587 269 HA ALA 34 HA ALA 34 1.354 -9.392 -10.029 270 1HB ALA 34 HB1 ALA 34 -0.445 -11.538 -8.844 271 2HB ALA 34 HB2 ALA 34 0.372 -11.631 -10.402 272 3HB ALA 34 HB3 ALA 34 -0.892 -10.432 -10.145 273 H SER 35 HN SER 35 0.586 -7.456 -9.438 274 HA SER 35 HA SER 35 -0.079 -6.854 -6.688 275 1HB SER 35 HB2 SER 35 1.194 -5.343 -8.243 276 2HB SER 35 HB1 SER 35 -0.316 -5.038 -9.100 277 HG SER 35 HG SER 35 -0.294 -3.503 -7.576 278 H ILE 36 HN ILE 36 -2.164 -6.428 -5.879 279 HA ILE 36 HA ILE 36 -4.432 -7.247 -7.548 280 HB ILE 36 HB ILE 36 -4.371 -6.326 -4.644 281 1HG1 ILE 36 HG12 ILE 36 -4.500 -9.162 -5.781 282 2HG1 ILE 36 HG11 ILE 36 -3.034 -8.433 -5.133 283 1HG2 ILE 36 HG21 ILE 36 -6.505 -7.741 -6.297 284 2HG2 ILE 36 HG22 ILE 36 -6.603 -6.094 -5.681 285 3HG2 ILE 36 HG23 ILE 36 -6.615 -7.446 -4.565 286 1HD1 ILE 36 HD11 ILE 36 -4.195 -8.102 -2.949 287 2HD1 ILE 36 HD12 ILE 36 -4.069 -9.799 -3.408 288 3HD1 ILE 36 HD13 ILE 36 -5.599 -8.947 -3.603 289 H THR 37 HN THR 37 -6.038 -5.887 -8.260 290 HA THR 37 HA THR 37 -5.805 -2.957 -7.746 291 HB THR 37 HB THR 37 -6.356 -2.574 -10.127 292 HG1 THR 37 HG1 THR 37 -6.905 -4.183 -11.342 293 1HG2 THR 37 HG21 THR 37 -4.168 -3.218 -11.055 294 2HG2 THR 37 HG22 THR 37 -3.925 -4.344 -9.720 295 3HG2 THR 37 HG23 THR 37 -3.991 -2.608 -9.410 296 H GLY 38 HN GLY 38 -7.799 -1.844 -7.717 297 1HA GLY 38 HA2 GLY 38 -10.072 -1.555 -7.500 298 2HA GLY 38 HA1 GLY 38 -10.297 -3.029 -8.438 299 H LYS 39 HN LYS 39 -11.965 -3.772 -7.105 300 HA LYS 39 HA LYS 39 -11.129 -5.252 -4.739 301 1HB LYS 39 HB2 LYS 39 -11.614 -2.933 -3.865 302 2HB LYS 39 HB1 LYS 39 -13.265 -3.099 -4.455 303 1HG LYS 39 HG2 LYS 39 -13.606 -5.063 -2.997 304 2HG LYS 39 HG1 LYS 39 -11.938 -4.948 -2.437 305 1HD LYS 39 HD2 LYS 39 -12.409 -2.692 -1.519 306 2HD LYS 39 HD1 LYS 39 -14.079 -2.826 -2.066 307 1HE LYS 39 HE2 LYS 39 -14.403 -4.795 -0.613 308 2HE LYS 39 HE1 LYS 39 -12.729 -4.674 -0.072 309 1HZ LYS 39 HZ1 LYS 39 -13.780 -3.509 1.560 310 2HZ LYS 39 HZ2 LYS 39 -15.013 -2.943 0.539 311 3HZ LYS 39 HZ3 LYS 39 -13.467 -2.241 0.478 312 H PHE 40 HN PHE 40 -12.210 -7.100 -4.655 313 HA PHE 40 HA PHE 40 -14.723 -7.478 -6.242 314 1HB PHE 40 HB2 PHE 40 -12.716 -9.606 -5.386 315 2HB PHE 40 HB1 PHE 40 -14.001 -9.739 -6.587 316 HD1 PHE 40 HD1 PHE 40 -13.829 -8.448 -8.765 317 HD2 PHE 40 HD2 PHE 40 -10.552 -8.660 -5.979 318 HE1 PHE 40 HE1 PHE 40 -12.267 -7.678 -10.528 319 HE2 PHE 40 HE2 PHE 40 -8.999 -7.897 -7.744 320 HZ PHE 40 HZ PHE 40 -9.856 -7.402 -10.022 321 H SER 41 HN SER 41 -16.472 -7.841 -5.107 322 HA SER 41 HA SER 41 -16.523 -7.983 -2.266 323 1HB SER 41 HB2 SER 41 -18.669 -8.702 -4.281 324 2HB SER 41 HB1 SER 41 -18.923 -8.420 -2.562 325 HG SER 41 HG SER 41 -17.888 -6.573 -4.459 326 H ASP 42 HN ASP 42 -17.653 -9.797 -1.112 327 HA ASP 42 HA ASP 42 -16.196 -12.236 -1.375 328 1HB ASP 42 HB2 ASP 42 -17.206 -11.381 0.757 329 2HB ASP 42 HB1 ASP 42 -18.800 -11.753 0.111 330 H ALA 43 HN ALA 43 -19.104 -11.108 -2.913 331 HA ALA 43 HA ALA 43 -19.859 -13.839 -3.748 332 1HB ALA 43 HB1 ALA 43 -21.809 -12.746 -4.779 333 2HB ALA 43 HB2 ALA 43 -21.154 -11.162 -4.359 334 3HB ALA 43 HB3 ALA 43 -21.652 -12.277 -3.087 335 H GLU 44 HN GLU 44 -17.828 -11.358 -4.776 336 HA GLU 44 HA GLU 44 -17.950 -12.122 -7.669 337 1HB GLU 44 HB2 GLU 44 -16.778 -9.684 -6.290 338 2HB GLU 44 HB1 GLU 44 -16.730 -9.991 -8.026 339 1HG GLU 44 HG2 GLU 44 -19.298 -9.761 -6.406 340 2HG GLU 44 HG1 GLU 44 -18.596 -8.445 -7.340 341 H CYS 45 HN CYS 45 -15.886 -12.131 -4.823 342 HA CYS 45 HA CYS 45 -13.427 -12.543 -6.232 343 1HB CYS 45 HB2 CYS 45 -14.163 -12.146 -3.521 344 2HB CYS 45 HB1 CYS 45 -13.442 -13.746 -3.527 345 HG CYS 45 HG CYS 45 -11.308 -12.566 -4.718 346 HA PRO 46 HA PRO 46 -14.363 -17.278 -5.311 347 1HB PRO 46 HB2 PRO 46 -17.376 -17.186 -5.579 348 2HB PRO 46 HB1 PRO 46 -16.382 -18.179 -4.486 349 1HG PRO 46 HG2 PRO 46 -17.689 -16.093 -3.516 350 2HG PRO 46 HG1 PRO 46 -16.010 -16.382 -3.006 351 1HD PRO 46 HD2 PRO 46 -17.009 -14.410 -5.092 352 2HD PRO 46 HD1 PRO 46 -15.839 -14.144 -3.779 353 H LYS 47 HN LYS 47 -16.853 -15.693 -7.316 354 HA LYS 47 HA LYS 47 -16.903 -17.497 -9.435 355 1HB LYS 47 HB2 LYS 47 -17.327 -14.491 -9.518 356 2HB LYS 47 HB1 LYS 47 -17.834 -15.626 -10.770 357 1HG LYS 47 HG2 LYS 47 -19.341 -16.751 -9.196 358 2HG LYS 47 HG1 LYS 47 -18.781 -15.718 -7.884 359 1HD LYS 47 HD2 LYS 47 -20.913 -14.855 -8.699 360 2HD LYS 47 HD1 LYS 47 -19.635 -13.717 -9.117 361 1HE LYS 47 HE2 LYS 47 -20.417 -15.812 -11.164 362 2HE LYS 47 HE1 LYS 47 -21.440 -14.393 -10.953 363 1HZ LYS 47 HZ1 LYS 47 -19.964 -13.097 -11.940 364 2HZ LYS 47 HZ2 LYS 47 -19.189 -14.516 -12.463 365 3HZ LYS 47 HZ3 LYS 47 -18.662 -13.726 -11.054 366 H LEU 48 HN LEU 48 -14.540 -15.027 -8.686 367 HA LEU 48 HA LEU 48 -13.445 -14.815 -11.276 368 1HB LEU 48 HB2 LEU 48 -13.065 -13.418 -8.980 369 2HB LEU 48 HB1 LEU 48 -11.664 -14.460 -8.842 370 HG LEU 48 HG LEU 48 -10.974 -12.417 -9.942 371 1HD1 LEU 48 HD11 LEU 48 -9.913 -13.274 -11.888 372 2HD1 LEU 48 HD12 LEU 48 -11.199 -14.436 -12.193 373 3HD1 LEU 48 HD13 LEU 48 -10.106 -14.666 -10.825 374 1HD2 LEU 48 HD21 LEU 48 -12.119 -11.275 -11.585 375 2HD2 LEU 48 HD22 LEU 48 -13.513 -12.099 -10.909 376 3HD2 LEU 48 HD23 LEU 48 -12.743 -12.725 -12.363 377 H ASP 49 HN ASP 49 -12.788 -16.971 -8.545 378 HA ASP 49 HA ASP 49 -10.503 -18.295 -9.638 379 1HB ASP 49 HB2 ASP 49 -12.478 -19.303 -7.568 380 2HB ASP 49 HB1 ASP 49 -10.863 -19.946 -7.870 381 H VAL 50 HN VAL 50 -13.926 -18.639 -10.118 382 HA VAL 50 HA VAL 50 -13.997 -21.326 -11.143 383 HB VAL 50 HB VAL 50 -15.863 -19.001 -11.657 384 1HG1 VAL 50 HG11 VAL 50 -16.218 -20.758 -13.322 385 2HG1 VAL 50 HG12 VAL 50 -17.515 -20.842 -12.137 386 3HG1 VAL 50 HG13 VAL 50 -16.183 -21.995 -12.066 387 1HG2 VAL 50 HG21 VAL 50 -15.978 -21.241 -9.610 388 2HG2 VAL 50 HG22 VAL 50 -17.200 -19.991 -9.839 389 3HG2 VAL 50 HG23 VAL 50 -15.598 -19.560 -9.247 390 H VAL 51 HN VAL 51 -13.728 -18.096 -12.682 391 HA VAL 51 HA VAL 51 -13.528 -19.273 -15.326 392 HB VAL 51 HB VAL 51 -13.092 -16.347 -14.596 393 1HG1 VAL 51 HG11 VAL 51 -13.919 -15.977 -16.906 394 2HG1 VAL 51 HG12 VAL 51 -14.065 -17.719 -17.136 395 3HG1 VAL 51 HG13 VAL 51 -12.480 -16.989 -16.912 396 1HG2 VAL 51 HG21 VAL 51 -15.239 -17.061 -13.635 397 2HG2 VAL 51 HG22 VAL 51 -15.686 -17.846 -15.149 398 3HG2 VAL 51 HG23 VAL 51 -15.544 -16.089 -15.073 399 H PHE 52 HN PHE 52 -11.352 -18.504 -12.777 400 HA PHE 52 HA PHE 52 -9.064 -17.673 -14.155 401 1HB PHE 52 HB2 PHE 52 -9.191 -17.542 -11.737 402 2HB PHE 52 HB1 PHE 52 -9.254 -19.285 -11.594 403 HD1 PHE 52 HD1 PHE 52 -7.225 -20.658 -11.882 404 HD2 PHE 52 HD2 PHE 52 -7.083 -16.395 -12.471 405 HE1 PHE 52 HE1 PHE 52 -4.749 -20.733 -11.875 406 HE2 PHE 52 HE2 PHE 52 -4.604 -16.483 -12.461 407 HZ PHE 52 HZ PHE 52 -3.441 -18.650 -12.162 408 HA PRO 53 HA PRO 53 -7.640 -22.237 -14.887 409 1HB PRO 53 HB2 PRO 53 -9.458 -24.283 -14.756 410 2HB PRO 53 HB1 PRO 53 -8.607 -23.704 -13.302 411 1HG PRO 53 HG2 PRO 53 -11.321 -22.856 -14.318 412 2HG PRO 53 HG1 PRO 53 -10.899 -23.493 -12.707 413 1HD PRO 53 HD2 PRO 53 -11.057 -20.855 -13.041 414 2HD PRO 53 HD1 PRO 53 -9.695 -21.518 -12.116 415 H HIS 54 HN HIS 54 -10.797 -21.032 -15.861 416 HA HIS 54 HA HIS 54 -11.174 -22.477 -18.238 417 1HB HIS 54 HB2 HIS 54 -12.891 -20.972 -17.190 418 2HB HIS 54 HB1 HIS 54 -11.976 -19.584 -17.758 419 HD1 HIS 54 HD1 HIS 54 -11.608 -19.480 -20.449 420 HD2 HIS 54 HD2 HIS 54 -14.654 -21.978 -19.085 421 HE1 HIS 54 HE1 HIS 54 -13.092 -19.955 -22.446 422 HE2 HIS 54 HE2 HIS 54 -14.953 -21.478 -21.631 423 H PHE 55 HN PHE 55 -9.477 -19.381 -17.706 424 HA PHE 55 HA PHE 55 -8.698 -18.979 -20.439 425 1HB PHE 55 HB2 PHE 55 -7.550 -17.983 -17.810 426 2HB PHE 55 HB1 PHE 55 -6.947 -17.466 -19.378 427 HD1 PHE 55 HD1 PHE 55 -9.354 -16.685 -16.834 428 HD2 PHE 55 HD2 PHE 55 -8.738 -16.611 -21.100 429 HE1 PHE 55 HE1 PHE 55 -11.102 -14.949 -17.066 430 HE2 PHE 55 HE2 PHE 55 -10.490 -14.877 -21.313 431 HZ PHE 55 HZ PHE 55 -11.667 -14.047 -19.301 432 H ILE 56 HN ILE 56 -7.055 -20.552 -17.668 433 HA ILE 56 HA ILE 56 -4.697 -21.105 -19.222 434 HB ILE 56 HB ILE 56 -5.616 -22.435 -16.635 435 1HG1 ILE 56 HG12 ILE 56 -3.735 -20.050 -16.977 436 2HG1 ILE 56 HG11 ILE 56 -5.429 -19.892 -16.521 437 1HG2 ILE 56 HG21 ILE 56 -3.172 -22.895 -16.342 438 2HG2 ILE 56 HG22 ILE 56 -2.869 -22.202 -17.932 439 3HG2 ILE 56 HG23 ILE 56 -3.811 -23.681 -17.777 440 1HD1 ILE 56 HD11 ILE 56 -3.992 -19.850 -14.534 441 2HD1 ILE 56 HD12 ILE 56 -3.334 -21.427 -14.954 442 3HD1 ILE 56 HD13 ILE 56 -5.036 -21.269 -14.517 443 H SER 57 HN SER 57 -7.571 -23.007 -18.349 444 HA SER 57 HA SER 57 -6.696 -25.449 -19.377 445 1HB SER 57 HB2 SER 57 -9.083 -26.051 -19.518 446 2HB SER 57 HB1 SER 57 -8.739 -25.197 -18.018 447 HG SER 57 HG SER 57 -9.557 -23.319 -18.954 448 H GLN 58 HN GLN 58 -8.209 -22.707 -21.057 449 HA GLN 58 HA GLN 58 -8.234 -24.115 -23.628 450 1HB GLN 58 HB2 GLN 58 -9.920 -22.276 -22.732 451 2HB GLN 58 HB1 GLN 58 -8.709 -21.126 -23.279 452 1HG GLN 58 HG2 GLN 58 -10.075 -23.238 -24.995 453 2HG GLN 58 HG1 GLN 58 -10.409 -21.510 -25.022 454 1HE2 GLN 58 HE21 GLN 58 -8.106 -20.211 -25.274 455 2HE2 GLN 58 HE22 GLN 58 -7.156 -20.790 -26.556 456 H ILE 59 HN ILE 59 -6.371 -21.402 -22.192 457 HA ILE 59 HA ILE 59 -4.727 -20.983 -24.483 458 HB ILE 59 HB ILE 59 -4.258 -20.402 -21.535 459 1HG1 ILE 59 HG12 ILE 59 -4.866 -18.454 -23.814 460 2HG1 ILE 59 HG11 ILE 59 -6.138 -19.177 -22.839 461 1HG2 ILE 59 HG21 ILE 59 -2.570 -19.623 -23.952 462 2HG2 ILE 59 HG22 ILE 59 -2.037 -20.509 -22.523 463 3HG2 ILE 59 HG23 ILE 59 -2.444 -18.804 -22.395 464 1HD1 ILE 59 HD11 ILE 59 -5.533 -16.965 -21.953 465 2HD1 ILE 59 HD12 ILE 59 -3.853 -17.478 -21.785 466 3HD1 ILE 59 HD13 ILE 59 -5.107 -18.224 -20.795 467 H GLU 60 HN GLU 60 -4.281 -23.056 -21.591 468 HA GLU 60 HA GLU 60 -1.701 -23.967 -22.207 469 1HB GLU 60 HB2 GLU 60 -2.847 -24.355 -20.038 470 2HB GLU 60 HB1 GLU 60 -3.927 -25.500 -20.826 471 1HG GLU 60 HG2 GLU 60 -2.149 -26.730 -19.696 472 2HG GLU 60 HG1 GLU 60 -1.913 -26.900 -21.427 473 H SER 61 HN SER 61 -4.870 -25.189 -23.256 474 HA SER 61 HA SER 61 -3.793 -27.434 -24.686 475 1HB SER 61 HB2 SER 61 -6.062 -27.600 -25.710 476 2HB SER 61 HB1 SER 61 -6.154 -27.414 -23.960 477 HG SER 61 HG SER 61 -6.424 -25.362 -25.910 478 H MET 62 HN MET 62 -4.393 -24.083 -25.531 479 HA MET 62 HA MET 62 -4.188 -24.287 -28.359 480 1HB MET 62 HB2 MET 62 -4.908 -22.246 -27.019 481 2HB MET 62 HB1 MET 62 -3.220 -21.978 -26.627 482 1HG MET 62 HG2 MET 62 -3.684 -20.578 -28.532 483 2HG MET 62 HG1 MET 62 -2.761 -21.936 -29.157 484 1HE MET 62 HE1 MET 62 -5.854 -19.806 -29.655 485 2HE MET 62 HE2 MET 62 -6.323 -20.767 -28.258 486 3HE MET 62 HE3 MET 62 -7.190 -20.958 -29.778 487 H LEU 63 HN LEU 63 -1.737 -23.949 -25.840 488 HA LEU 63 HA LEU 63 0.511 -23.641 -27.540 489 1HB LEU 63 HB2 LEU 63 0.337 -24.909 -24.793 490 2HB LEU 63 HB1 LEU 63 1.831 -24.402 -25.576 491 HG LEU 63 HG LEU 63 -0.475 -22.536 -24.891 492 1HD1 LEU 63 HD11 LEU 63 0.996 -21.694 -23.094 493 2HD1 LEU 63 HD12 LEU 63 2.199 -22.917 -23.504 494 3HD1 LEU 63 HD13 LEU 63 0.627 -23.403 -22.866 495 1HD2 LEU 63 HD21 LEU 63 2.242 -22.067 -26.171 496 2HD2 LEU 63 HD22 LEU 63 1.459 -20.780 -25.254 497 3HD2 LEU 63 HD23 LEU 63 0.663 -21.454 -26.662 498 H THR 64 HN THR 64 -1.200 -26.494 -26.394 499 HA THR 64 HA THR 64 0.696 -28.386 -27.627 500 HB THR 64 HB THR 64 -0.791 -30.086 -26.723 501 HG1 THR 64 HG1 THR 64 -2.784 -29.624 -26.324 502 1HG2 THR 64 HG21 THR 64 -0.374 -27.822 -24.748 503 2HG2 THR 64 HG22 THR 64 0.854 -29.002 -25.209 504 3HG2 THR 64 HG23 THR 64 -0.593 -29.523 -24.343 505 H THR 65 HN THR 65 -2.795 -27.751 -27.965 506 HA THR 65 HA THR 65 -3.032 -29.241 -30.355 507 HB THR 65 HB THR 65 -4.794 -26.947 -29.397 508 HG1 THR 65 HG1 THR 65 -5.964 -28.832 -28.500 509 1HG2 THR 65 HG21 THR 65 -5.305 -27.698 -31.674 510 2HG2 THR 65 HG22 THR 65 -6.570 -28.204 -30.561 511 3HG2 THR 65 HG23 THR 65 -5.372 -29.370 -31.119 512 H GLY 66 HN GLY 66 -2.482 -25.797 -29.758 513 1HA GLY 66 HA2 GLY 66 -1.979 -25.346 -32.675 514 2HA GLY 66 HA1 GLY 66 -2.606 -24.137 -31.564 515 H GLU 67 HN GLU 67 0.234 -26.277 -31.956 516 HA GLU 67 HA GLU 67 2.036 -25.059 -30.272 517 1HB GLU 67 HB2 GLU 67 2.500 -27.103 -31.632 518 2HB GLU 67 HB1 GLU 67 2.703 -26.082 -33.052 519 1HG GLU 67 HG2 GLU 67 4.588 -24.909 -31.942 520 2HG GLU 67 HG1 GLU 67 4.363 -25.906 -30.510 521 H LEU 68 HN LEU 68 1.613 -22.811 -30.177 522 HA LEU 68 HA LEU 68 2.051 -21.117 -32.508 523 1HB LEU 68 HB2 LEU 68 0.418 -20.638 -30.556 524 2HB LEU 68 HB1 LEU 68 1.833 -20.227 -29.598 525 HG LEU 68 HG LEU 68 2.375 -18.677 -31.805 526 1HD1 LEU 68 HD11 LEU 68 -0.659 -18.708 -31.683 527 2HD1 LEU 68 HD12 LEU 68 0.307 -19.431 -32.970 528 3HD1 LEU 68 HD13 LEU 68 0.346 -17.687 -32.714 529 1HD2 LEU 68 HD21 LEU 68 1.335 -16.750 -30.617 530 2HD2 LEU 68 HD22 LEU 68 2.261 -17.785 -29.531 531 3HD2 LEU 68 HD23 LEU 68 0.497 -17.882 -29.550 532 H ASN 69 HN ASN 69 3.879 -19.775 -32.812 533 HA ASN 69 HA ASN 69 6.169 -20.127 -30.970 534 1HB ASN 69 HB2 ASN 69 6.209 -20.327 -33.991 535 2HB ASN 69 HB1 ASN 69 7.649 -20.262 -32.974 536 1HD2 ASN 69 HD21 ASN 69 5.065 -22.354 -34.107 537 2HD2 ASN 69 HD22 ASN 69 5.606 -23.758 -33.322 538 HA PRO 70 HA PRO 70 6.435 -15.611 -30.966 539 1HB PRO 70 HB2 PRO 70 9.327 -16.135 -31.712 540 2HB PRO 70 HB1 PRO 70 8.663 -14.986 -30.541 541 1HG PRO 70 HG2 PRO 70 9.688 -17.340 -29.766 542 2HG PRO 70 HG1 PRO 70 8.263 -16.646 -28.958 543 1HD PRO 70 HD2 PRO 70 8.417 -18.999 -30.810 544 2HD PRO 70 HD1 PRO 70 7.212 -18.614 -29.558 545 H ARG 71 HN ARG 71 8.973 -16.088 -33.362 546 HA ARG 71 HA ARG 71 9.261 -15.485 -35.533 547 1HB ARG 71 HB2 ARG 71 6.335 -16.233 -35.717 548 2HB ARG 71 HB1 ARG 71 7.427 -16.019 -37.084 549 1HG ARG 71 HG2 ARG 71 8.879 -17.823 -36.209 550 2HG ARG 71 HG1 ARG 71 7.778 -18.046 -34.849 551 1HD ARG 71 HD2 ARG 71 7.285 -19.717 -36.563 552 2HD ARG 71 HD1 ARG 71 5.944 -18.576 -36.474 553 HE ARG 71 HE ARG 71 7.809 -17.686 -38.415 554 1HH1 ARG 71 HH21 ARG 71 5.484 -20.206 -37.851 555 2HH1 ARG 71 HH22 ARG 71 5.122 -20.425 -39.531 556 1HH2 ARG 71 HH11 ARG 71 7.330 -17.979 -40.606 557 2HH2 ARG 71 HH12 ARG 71 6.165 -19.167 -41.086 558 H HIS 72 HN HIS 72 6.072 -14.282 -34.559 559 HA HIS 72 HA HIS 72 6.771 -11.481 -35.019 560 1HB HIS 72 HB2 HIS 72 4.688 -12.857 -36.755 561 2HB HIS 72 HB1 HIS 72 5.029 -11.126 -36.728 562 HD1 HIS 72 HD1 HIS 72 6.431 -14.415 -37.864 563 HD2 HIS 72 HD2 HIS 72 7.436 -10.374 -38.063 564 HE1 HIS 72 HE1 HIS 72 8.385 -14.242 -39.465 565 HE2 HIS 72 HE2 HIS 72 9.009 -11.784 -39.598 566 H ALA 73 HN ALA 73 5.315 -10.083 -34.105 567 HA ALA 73 HA ALA 73 3.854 -10.991 -31.884 568 1HB ALA 73 HB1 ALA 73 3.507 -8.361 -33.373 569 2HB ALA 73 HB2 ALA 73 4.785 -8.682 -32.210 570 3HB ALA 73 HB3 ALA 73 3.102 -8.682 -31.684 571 H GLN 74 HN GLN 74 1.627 -11.306 -31.545 572 HA GLN 74 HA GLN 74 -0.309 -10.756 -33.629 573 1HB GLN 74 HB2 GLN 74 0.979 -13.049 -34.146 574 2HB GLN 74 HB1 GLN 74 -0.111 -13.710 -32.935 575 1HG GLN 74 HG2 GLN 74 -0.891 -12.281 -35.511 576 2HG GLN 74 HG1 GLN 74 -1.116 -13.988 -35.143 577 1HE2 GLN 74 HE21 GLN 74 -2.177 -13.820 -32.512 578 2HE2 GLN 74 HE22 GLN 74 -3.669 -13.015 -32.576 579 H CYS 75 HN CYS 75 -1.614 -9.729 -32.244 580 HA CYS 75 HA CYS 75 -2.218 -10.638 -29.582 581 1HB CYS 75 HB2 CYS 75 -2.207 -8.250 -30.221 582 2HB CYS 75 HB1 CYS 75 -3.594 -8.534 -31.272 583 HG CYS 75 HG CYS 75 -3.654 -8.558 -28.170 584 H VAL 76 HN VAL 76 -3.949 -11.801 -28.859 585 HA VAL 76 HA VAL 76 -6.018 -12.621 -30.829 586 HB VAL 76 HB VAL 76 -4.785 -14.344 -28.641 587 1HG1 VAL 76 HG11 VAL 76 -7.137 -14.940 -29.035 588 2HG1 VAL 76 HG12 VAL 76 -6.100 -16.175 -29.734 589 3HG1 VAL 76 HG13 VAL 76 -6.862 -14.973 -30.775 590 1HG2 VAL 76 HG21 VAL 76 -3.257 -13.949 -30.553 591 2HG2 VAL 76 HG22 VAL 76 -4.522 -14.475 -31.664 592 3HG2 VAL 76 HG23 VAL 76 -3.819 -15.619 -30.523 593 H THR 77 HN THR 77 -8.133 -12.401 -30.089 594 HA THR 77 HA THR 77 -8.560 -11.566 -27.250 595 HB THR 77 HB THR 77 -10.562 -10.385 -28.113 596 HG1 THR 77 HG1 THR 77 -10.844 -11.716 -29.965 597 1HG2 THR 77 HG21 THR 77 -8.419 -9.177 -27.910 598 2HG2 THR 77 HG22 THR 77 -9.351 -8.583 -29.287 599 3HG2 THR 77 HG23 THR 77 -7.986 -9.667 -29.551 600 H LEU 78 HN LEU 78 -9.311 -13.269 -26.140 601 HA LEU 78 HA LEU 78 -11.044 -15.307 -27.415 602 1HB LEU 78 HB2 LEU 78 -9.831 -15.236 -24.623 603 2HB LEU 78 HB1 LEU 78 -10.571 -16.626 -25.419 604 HG LEU 78 HG LEU 78 -8.043 -15.210 -26.357 605 1HD1 LEU 78 HD11 LEU 78 -6.881 -17.245 -25.579 606 2HD1 LEU 78 HD12 LEU 78 -8.409 -17.890 -24.980 607 3HD1 LEU 78 HD13 LEU 78 -7.715 -16.444 -24.246 608 1HD2 LEU 78 HD21 LEU 78 -9.528 -17.659 -27.401 609 2HD2 LEU 78 HD22 LEU 78 -7.841 -17.335 -27.802 610 3HD2 LEU 78 HD23 LEU 78 -9.086 -16.204 -28.292 611 H TYR 79 HN TYR 79 -13.097 -15.865 -26.523 612 HA TYR 79 HA TYR 79 -14.220 -14.089 -24.473 613 1HB TYR 79 HB2 TYR 79 -16.185 -13.557 -25.891 614 2HB TYR 79 HB1 TYR 79 -14.692 -12.930 -26.587 615 HD1 TYR 79 HD1 TYR 79 -17.394 -15.415 -26.972 616 HD2 TYR 79 HD2 TYR 79 -13.644 -14.035 -28.569 617 HE1 TYR 79 HE1 TYR 79 -17.778 -16.741 -29.027 618 HE2 TYR 79 HE2 TYR 79 -14.039 -15.362 -30.625 619 HH TYR 79 HH TYR 79 -15.443 -16.679 -31.720 620 H HIS 80 HN HIS 80 -15.421 -15.291 -23.100 621 HA HIS 80 HA HIS 80 -17.116 -17.488 -23.989 622 1HB HIS 80 HB2 HIS 80 -14.846 -18.551 -23.857 623 2HB HIS 80 HB1 HIS 80 -14.765 -18.097 -22.156 624 HD1 HIS 80 HD1 HIS 80 -16.238 -19.416 -20.494 625 HD2 HIS 80 HD2 HIS 80 -16.726 -20.638 -24.450 626 HE1 HIS 80 HE1 HIS 80 -17.583 -21.561 -20.421 627 HE2 HIS 80 HE2 HIS 80 -17.891 -22.318 -22.825 628 H ASN 81 HN ASN 81 -16.586 -14.920 -22.093 629 HA ASN 81 HA ASN 81 -18.859 -15.487 -20.441 630 1HB ASN 81 HB2 ASN 81 -17.077 -16.734 -19.214 631 2HB ASN 81 HB1 ASN 81 -16.165 -15.239 -19.053 632 1HD2 ASN 81 HD21 ASN 81 -16.351 -14.837 -16.816 633 2HD2 ASN 81 HD22 ASN 81 -17.833 -14.687 -16.001 634 H GLY 82 HN GLY 82 -17.603 -13.512 -22.335 635 1HA GLY 82 HA2 GLY 82 -18.108 -11.263 -22.673 636 2HA GLY 82 HA1 GLY 82 -18.507 -11.088 -20.968 637 H PHE 83 HN PHE 83 -15.906 -12.374 -20.159 638 HA PHE 83 HA PHE 83 -14.306 -9.984 -20.058 639 1HB PHE 83 HB2 PHE 83 -13.792 -12.861 -19.246 640 2HB PHE 83 HB1 PHE 83 -12.672 -11.544 -18.909 641 HD1 PHE 83 HD1 PHE 83 -15.983 -12.991 -18.096 642 HD2 PHE 83 HD2 PHE 83 -13.227 -9.805 -17.244 643 HE1 PHE 83 HE1 PHE 83 -17.293 -12.397 -16.080 644 HE2 PHE 83 HE2 PHE 83 -14.540 -9.222 -15.225 645 HZ PHE 83 HZ PHE 83 -16.570 -10.513 -14.643 646 H THR 84 HN THR 84 -12.397 -9.532 -21.154 647 HA THR 84 HA THR 84 -11.513 -11.424 -23.282 648 HB THR 84 HB THR 84 -11.287 -9.547 -24.833 649 HG1 THR 84 HG1 THR 84 -12.704 -7.674 -23.695 650 1HG2 THR 84 HG21 THR 84 -13.448 -10.766 -24.773 651 2HG2 THR 84 HG22 THR 84 -13.670 -9.071 -25.210 652 3HG2 THR 84 HG23 THR 84 -14.049 -9.615 -23.578 653 H CYS 85 HN CYS 85 -9.526 -11.987 -22.527 654 HA CYS 85 HA CYS 85 -7.823 -10.028 -21.177 655 1HB CYS 85 HB2 CYS 85 -7.987 -12.319 -20.290 656 2HB CYS 85 HB1 CYS 85 -7.375 -12.969 -21.814 657 HG CYS 85 HG CYS 85 -5.095 -11.720 -21.335 658 H GLU 86 HN GLU 86 -5.864 -9.177 -22.152 659 HA GLU 86 HA GLU 86 -5.554 -9.688 -25.040 660 1HB GLU 86 HB2 GLU 86 -5.751 -7.333 -24.250 661 2HB GLU 86 HB1 GLU 86 -4.304 -7.543 -23.270 662 1HG GLU 86 HG2 GLU 86 -2.987 -8.005 -25.320 663 2HG GLU 86 HG1 GLU 86 -4.445 -7.831 -26.288 664 H ALA 87 HN ALA 87 -3.701 -10.629 -25.842 665 HA ALA 87 HA ALA 87 -1.405 -11.164 -24.042 666 1HB ALA 87 HB1 ALA 87 -1.348 -13.518 -24.755 667 2HB ALA 87 HB2 ALA 87 -2.831 -13.280 -25.682 668 3HB ALA 87 HB3 ALA 87 -2.857 -13.143 -23.924 669 H ASP 88 HN ASP 88 0.585 -11.432 -25.177 670 HA ASP 88 HA ASP 88 0.718 -11.641 -28.021 671 1HB ASP 88 HB2 ASP 88 1.693 -9.362 -28.429 672 2HB ASP 88 HB1 ASP 88 -0.003 -9.313 -27.960 673 H THR 89 HN THR 89 2.847 -12.198 -28.652 674 HA THR 89 HA THR 89 4.689 -12.729 -26.449 675 HB THR 89 HB THR 89 5.998 -13.943 -28.163 676 HG1 THR 89 HG1 THR 89 5.492 -13.805 -30.245 677 1HG2 THR 89 HG21 THR 89 3.017 -14.499 -28.301 678 2HG2 THR 89 HG22 THR 89 4.113 -15.085 -27.049 679 3HG2 THR 89 HG23 THR 89 4.297 -15.642 -28.713 680 H LEU 90 HN LEU 90 4.341 -10.554 -29.186 681 HA LEU 90 HA LEU 90 5.506 -8.764 -29.921 682 1HB LEU 90 HB2 LEU 90 6.746 -8.746 -27.158 683 2HB LEU 90 HB1 LEU 90 6.732 -7.405 -28.297 684 HG LEU 90 HG LEU 90 4.266 -8.678 -27.051 685 1HD1 LEU 90 HD11 LEU 90 5.525 -5.960 -26.542 686 2HD1 LEU 90 HD12 LEU 90 5.650 -7.344 -25.461 687 3HD1 LEU 90 HD13 LEU 90 4.081 -6.605 -25.763 688 1HD2 LEU 90 HD21 LEU 90 3.201 -6.470 -28.032 689 2HD2 LEU 90 HD22 LEU 90 3.488 -7.814 -29.120 690 3HD2 LEU 90 HD23 LEU 90 4.608 -6.452 -29.097 691 H GLY 91 HN GLY 91 6.664 -11.588 -29.885 692 1HA GLY 91 HA2 GLY 91 8.480 -12.557 -30.902 693 2HA GLY 91 HA1 GLY 91 9.108 -10.951 -31.256 694 H SER 92 HN SER 92 8.263 -11.293 -28.008 695 HA SER 92 HA SER 92 10.777 -10.835 -26.920 696 1HB SER 92 HB2 SER 92 8.656 -10.628 -25.653 697 2HB SER 92 HB1 SER 92 8.517 -12.383 -25.630 698 HG SER 92 HG SER 92 9.612 -12.065 -23.825 699 H CYS 93 HN CYS 93 9.599 -13.858 -28.179 700 HA CYS 93 HA CYS 93 10.584 -16.051 -28.040 701 1HB CYS 93 HB2 CYS 93 12.740 -16.003 -29.052 702 2HB CYS 93 HB1 CYS 93 11.756 -14.732 -29.777 703 HG CYS 93 HG CYS 93 13.709 -13.958 -27.480 704 H GLY 94 HN GLY 94 10.365 -14.840 -25.376 705 1HA GLY 94 HA2 GLY 94 12.207 -16.608 -24.010 706 2HA GLY 94 HA1 GLY 94 12.585 -14.902 -23.785 707 H TYR 95 HN TYR 95 10.273 -13.632 -23.414 708 HA TYR 95 HA TYR 95 8.901 -15.023 -21.157 709 1HB TYR 95 HB2 TYR 95 9.698 -12.109 -21.398 710 2HB TYR 95 HB1 TYR 95 8.722 -12.790 -20.095 711 HD1 TYR 95 HD1 TYR 95 9.717 -14.270 -18.390 712 HD2 TYR 95 HD2 TYR 95 12.107 -12.714 -21.617 713 HE1 TYR 95 HE1 TYR 95 11.776 -14.993 -17.217 714 HE2 TYR 95 HE2 TYR 95 14.161 -13.439 -20.437 715 HH TYR 95 HH TYR 95 14.187 -14.377 -17.186 716 H VAL 96 HN VAL 96 6.686 -14.860 -21.151 717 HA VAL 96 HA VAL 96 5.326 -13.406 -23.375 718 HB VAL 96 HB VAL 96 4.267 -15.666 -21.633 719 1HG1 VAL 96 HG11 VAL 96 2.539 -14.243 -22.695 720 2HG1 VAL 96 HG12 VAL 96 2.577 -15.839 -23.439 721 3HG1 VAL 96 HG13 VAL 96 3.317 -14.467 -24.262 722 1HG2 VAL 96 HG21 VAL 96 6.190 -16.466 -22.943 723 2HG2 VAL 96 HG22 VAL 96 5.524 -15.741 -24.406 724 3HG2 VAL 96 HG23 VAL 96 4.699 -17.097 -23.637 725 H TYR 97 HN TYR 97 4.514 -11.476 -22.724 726 HA TYR 97 HA TYR 97 3.768 -11.053 -19.886 727 1HB TYR 97 HB2 TYR 97 3.683 -8.813 -21.935 728 2HB TYR 97 HB1 TYR 97 4.098 -8.758 -20.231 729 HD1 TYR 97 HD1 TYR 97 5.506 -8.762 -23.507 730 HD2 TYR 97 HD2 TYR 97 6.236 -10.172 -19.516 731 HE1 TYR 97 HE1 TYR 97 7.918 -8.955 -24.013 732 HE2 TYR 97 HE2 TYR 97 8.647 -10.349 -20.022 733 HH TYR 97 HH TYR 97 9.964 -9.257 -23.121 734 H ILE 98 HN ILE 98 1.663 -10.711 -19.285 735 HA ILE 98 HA ILE 98 -0.422 -10.334 -21.347 736 HB ILE 98 HB ILE 98 -1.856 -12.063 -20.224 737 1HG1 ILE 98 HG12 ILE 98 0.722 -12.861 -18.795 738 2HG1 ILE 98 HG11 ILE 98 -0.613 -12.025 -18.016 739 1HG2 ILE 98 HG21 ILE 98 -0.747 -14.005 -21.239 740 2HG2 ILE 98 HG22 ILE 98 0.796 -13.153 -21.245 741 3HG2 ILE 98 HG23 ILE 98 -0.525 -12.597 -22.270 742 1HD1 ILE 98 HD11 ILE 98 -0.736 -14.775 -19.283 743 2HD1 ILE 98 HD12 ILE 98 -2.122 -13.914 -18.612 744 3HD1 ILE 98 HD13 ILE 98 -0.796 -14.404 -17.560 745 H ALA 99 HN ALA 99 -2.471 -9.632 -20.445 746 HA ALA 99 HA ALA 99 -2.468 -8.527 -17.731 747 1HB ALA 99 HB1 ALA 99 -1.330 -6.771 -19.068 748 2HB ALA 99 HB2 ALA 99 -2.914 -6.234 -18.509 749 3HB ALA 99 HB3 ALA 99 -2.695 -6.746 -20.184 750 H VAL 100 HN VAL 100 -4.446 -8.041 -16.973 751 HA VAL 100 HA VAL 100 -6.819 -8.864 -18.601 752 HB VAL 100 HB VAL 100 -6.394 -9.212 -15.607 753 1HG1 VAL 100 HG11 VAL 100 -8.412 -10.660 -15.803 754 2HG1 VAL 100 HG12 VAL 100 -8.540 -10.230 -17.508 755 3HG1 VAL 100 HG13 VAL 100 -8.763 -8.997 -16.267 756 1HG2 VAL 100 HG21 VAL 100 -4.867 -10.679 -16.861 757 2HG2 VAL 100 HG22 VAL 100 -6.203 -11.240 -17.865 758 3HG2 VAL 100 HG23 VAL 100 -6.166 -11.630 -16.146 759 H TYR 101 HN TYR 101 -8.374 -7.401 -18.749 760 HA TYR 101 HA TYR 101 -8.539 -5.118 -16.839 761 1HB TYR 101 HB2 TYR 101 -9.108 -3.678 -18.788 762 2HB TYR 101 HB1 TYR 101 -7.457 -4.282 -18.835 763 HD1 TYR 101 HD1 TYR 101 -10.565 -4.095 -20.693 764 HD2 TYR 101 HD2 TYR 101 -6.978 -6.434 -20.204 765 HE1 TYR 101 HE1 TYR 101 -10.912 -5.111 -22.925 766 HE2 TYR 101 HE2 TYR 101 -7.350 -7.449 -22.423 767 HH TYR 101 HH TYR 101 -9.762 -6.256 -24.624 768 HA PRO 102 HA PRO 102 -12.570 -7.441 -16.905 769 1HB PRO 102 HB2 PRO 102 -13.014 -5.358 -14.732 770 2HB PRO 102 HB1 PRO 102 -13.508 -7.067 -14.746 771 1HG PRO 102 HG2 PRO 102 -11.385 -6.358 -13.343 772 2HG PRO 102 HG1 PRO 102 -11.308 -7.824 -14.348 773 1HD PRO 102 HD2 PRO 102 -10.124 -5.095 -14.928 774 2HD PRO 102 HD1 PRO 102 -9.433 -6.708 -15.240 775 H THR 103 HN THR 103 -14.403 -6.913 -18.088 776 HA THR 103 HA THR 103 -14.613 -4.152 -19.133 777 HB THR 103 HB THR 103 -14.604 -5.825 -20.866 778 HG1 THR 103 HG1 THR 103 -17.346 -5.348 -20.545 779 1HG2 THR 103 HG21 THR 103 -15.181 -7.795 -19.530 780 2HG2 THR 103 HG22 THR 103 -16.270 -7.658 -20.904 781 3HG2 THR 103 HG23 THR 103 -16.819 -7.190 -19.299 782 H GLN 104 HN GLN 104 -16.546 -2.982 -19.028 783 HA GLN 104 HA GLN 104 -18.052 -3.254 -16.637 784 1HB GLN 104 HB2 GLN 104 -18.701 -1.649 -19.133 785 2HB GLN 104 HB1 GLN 104 -19.424 -1.416 -17.542 786 1HG GLN 104 HG2 GLN 104 -16.460 -1.122 -18.160 787 2HG GLN 104 HG1 GLN 104 -17.590 0.218 -18.013 788 1HE2 GLN 104 HE21 GLN 104 -15.212 -1.150 -16.282 789 2HE2 GLN 104 HE22 GLN 104 -15.824 -0.976 -14.709 790 H ARG 105 HN ARG 105 -18.679 -5.533 -16.892 791 HA ARG 105 HA ARG 105 -20.423 -6.482 -18.887 792 1HB ARG 105 HB2 ARG 105 -20.985 -8.264 -17.215 793 2HB ARG 105 HB1 ARG 105 -19.250 -8.018 -17.409 794 1HG ARG 105 HG2 ARG 105 -19.206 -6.606 -15.386 795 2HG ARG 105 HG1 ARG 105 -20.941 -6.825 -15.181 796 1HD ARG 105 HD2 ARG 105 -20.609 -9.262 -14.941 797 2HD ARG 105 HD1 ARG 105 -18.872 -9.039 -15.145 798 HE ARG 105 HE ARG 105 -18.748 -8.326 -12.944 799 1HH1 ARG 105 HH21 ARG 105 -22.027 -8.118 -14.068 800 2HH1 ARG 105 HH22 ARG 105 -22.675 -7.712 -12.513 801 1HH2 ARG 105 HH11 ARG 105 -19.601 -7.795 -10.912 802 2HH2 ARG 105 HH12 ARG 105 -21.304 -7.530 -10.730 Start of MODEL 6 1 1H MET 1 HT1 MET 1 3.982 3.853 -2.874 2 2H MET 1 HT2 MET 1 5.006 5.096 -3.417 3 3H MET 1 HT3 MET 1 5.638 3.808 -2.507 4 HA MET 1 HA MET 1 4.275 3.248 -5.049 5 1HB MET 1 HB2 MET 1 6.570 3.426 -6.151 6 2HB MET 1 HB1 MET 1 5.849 4.971 -5.703 7 1HG MET 1 HG2 MET 1 7.203 5.043 -3.653 8 2HG MET 1 HG1 MET 1 7.891 3.464 -4.033 9 1HE MET 1 HE1 MET 1 10.124 4.476 -3.638 10 2HE MET 1 HE2 MET 1 9.642 6.164 -3.483 11 3HE MET 1 HE3 MET 1 10.919 5.719 -4.614 12 H SER 2 HN SER 2 4.758 1.165 -5.753 13 HA SER 2 HA SER 2 5.433 -0.743 -3.724 14 1HB SER 2 HB2 SER 2 5.091 -1.109 -6.713 15 2HB SER 2 HB1 SER 2 5.144 -2.403 -5.518 16 HG SER 2 HG SER 2 3.056 -2.047 -5.514 17 H ASN 3 HN ASN 3 7.346 1.227 -5.614 18 HA ASN 3 HA ASN 3 9.609 1.352 -5.970 19 1HB ASN 3 HB2 ASN 3 9.630 0.337 -3.588 20 2HB ASN 3 HB1 ASN 3 10.001 -1.196 -4.362 21 1HD2 ASN 3 HD21 ASN 3 11.794 -0.490 -6.366 22 2HD2 ASN 3 HD22 ASN 3 13.168 0.244 -5.691 23 H THR 4 HN THR 4 8.583 -2.075 -6.061 24 HA THR 4 HA THR 4 9.930 -2.398 -8.712 25 HB THR 4 HB THR 4 10.150 -4.788 -8.105 26 HG1 THR 4 HG1 THR 4 8.832 -5.384 -6.594 27 1HG2 THR 4 HG21 THR 4 11.279 -2.892 -6.023 28 2HG2 THR 4 HG22 THR 4 11.993 -3.230 -7.601 29 3HG2 THR 4 HG23 THR 4 11.889 -4.507 -6.388 30 H THR 5 HN THR 5 8.044 -1.920 -9.977 31 HA THR 5 HA THR 5 5.550 -3.356 -9.389 32 HB THR 5 HB THR 5 5.030 -1.156 -10.081 33 HG1 THR 5 HG1 THR 5 5.107 -2.597 -12.521 34 1HG2 THR 5 HG21 THR 5 7.244 -0.393 -10.719 35 2HG2 THR 5 HG22 THR 5 6.148 -0.067 -12.057 36 3HG2 THR 5 HG23 THR 5 7.249 -1.441 -12.139 37 H TRP 6 HN TRP 6 5.115 -5.285 -10.266 38 HA TRP 6 HA TRP 6 6.844 -6.513 -12.262 39 1HB TRP 6 HB2 TRP 6 4.257 -7.572 -11.072 40 2HB TRP 6 HB1 TRP 6 5.536 -8.502 -11.859 41 HD1 TRP 6 HD1 TRP 6 8.096 -7.916 -10.555 42 HE1 TRP 6 HE1 TRP 6 8.530 -8.108 -8.023 43 HE3 TRP 6 HE3 TRP 6 3.305 -7.586 -8.808 44 HZ2 TRP 6 HZ2 TRP 6 7.044 -8.114 -5.578 45 HZ3 TRP 6 HZ3 TRP 6 2.846 -7.682 -6.376 46 HH2 TRP 6 HH2 TRP 6 4.707 -7.947 -4.760 47 H GLY 7 HN GLY 7 6.334 -7.079 -14.330 48 1HA GLY 7 HA2 GLY 7 5.158 -7.200 -16.328 49 2HA GLY 7 HA1 GLY 7 3.712 -6.619 -15.505 50 H LEU 8 HN LEU 8 3.704 -5.414 -17.678 51 HA LEU 8 HA LEU 8 5.510 -3.318 -18.215 52 1HB LEU 8 HB2 LEU 8 2.535 -3.346 -18.874 53 2HB LEU 8 HB1 LEU 8 3.796 -2.455 -19.725 54 HG LEU 8 HG LEU 8 3.569 -5.485 -19.575 55 1HD1 LEU 8 HD11 LEU 8 2.980 -5.319 -21.971 56 2HD1 LEU 8 HD12 LEU 8 3.041 -3.559 -21.864 57 3HD1 LEU 8 HD13 LEU 8 1.815 -4.456 -20.966 58 1HD2 LEU 8 HD21 LEU 8 5.594 -3.647 -20.920 59 2HD2 LEU 8 HD22 LEU 8 5.340 -5.304 -21.468 60 3HD2 LEU 8 HD23 LEU 8 5.901 -5.002 -19.834 61 H GLN 9 HN GLN 9 5.573 -1.195 -17.727 62 HA GLN 9 HA GLN 9 4.328 -0.382 -15.184 63 1HB GLN 9 HB2 GLN 9 6.418 0.970 -16.928 64 2HB GLN 9 HB1 GLN 9 5.900 1.516 -15.329 65 1HG GLN 9 HG2 GLN 9 6.652 -0.656 -14.373 66 2HG GLN 9 HG1 GLN 9 7.221 -1.145 -15.963 67 1HE2 GLN 9 HE21 GLN 9 9.304 -1.228 -14.423 68 2HE2 GLN 9 HE22 GLN 9 10.250 0.181 -14.430 69 H ARG 10 HN ARG 10 2.246 0.323 -15.509 70 HA ARG 10 HA ARG 10 1.880 2.624 -17.334 71 1HB ARG 10 HB2 ARG 10 -0.100 0.331 -16.987 72 2HB ARG 10 HB1 ARG 10 -0.374 1.767 -17.967 73 1HG ARG 10 HG2 ARG 10 1.894 -0.210 -18.482 74 2HG ARG 10 HG1 ARG 10 0.331 -0.302 -19.281 75 1HD ARG 10 HD2 ARG 10 0.702 2.039 -20.149 76 2HD ARG 10 HD1 ARG 10 2.332 1.975 -19.492 77 HE ARG 10 HE ARG 10 1.964 -0.290 -21.108 78 1HH1 ARG 10 HH21 ARG 10 2.124 3.171 -21.345 79 2HH1 ARG 10 HH22 ARG 10 2.808 3.167 -22.936 80 1HH2 ARG 10 HH11 ARG 10 2.872 -0.289 -23.197 81 2HH2 ARG 10 HH12 ARG 10 3.230 1.214 -23.979 82 H ASP 11 HN ASP 11 0.807 4.283 -16.499 83 HA ASP 11 HA ASP 11 0.541 4.534 -13.742 84 1HB ASP 11 HB2 ASP 11 -0.630 6.162 -16.011 85 2HB ASP 11 HB1 ASP 11 -0.651 6.677 -14.324 86 H ILE 12 HN ILE 12 -1.502 3.347 -16.200 87 HA ILE 12 HA ILE 12 -4.095 3.849 -15.188 88 HB ILE 12 HB ILE 12 -3.163 1.593 -17.005 89 1HG1 ILE 12 HG12 ILE 12 -4.292 4.334 -17.750 90 2HG1 ILE 12 HG11 ILE 12 -2.577 3.938 -17.797 91 1HG2 ILE 12 HG21 ILE 12 -5.432 1.225 -16.091 92 2HG2 ILE 12 HG22 ILE 12 -5.521 1.601 -17.801 93 3HG2 ILE 12 HG23 ILE 12 -5.910 2.837 -16.608 94 1HD1 ILE 12 HD11 ILE 12 -3.071 2.099 -19.413 95 2HD1 ILE 12 HD12 ILE 12 -3.513 3.689 -20.032 96 3HD1 ILE 12 HD13 ILE 12 -4.762 2.602 -19.429 97 H THR 13 HN THR 13 -5.228 2.927 -13.620 98 HA THR 13 HA THR 13 -4.162 0.749 -12.003 99 HB THR 13 HB THR 13 -6.799 1.300 -11.108 100 HG1 THR 13 HG1 THR 13 -6.679 3.662 -11.130 101 1HG2 THR 13 HG21 THR 13 -4.811 1.174 -9.657 102 2HG2 THR 13 HG22 THR 13 -5.707 2.663 -9.359 103 3HG2 THR 13 HG23 THR 13 -4.221 2.703 -10.310 104 HA PRO 14 HA PRO 14 -8.573 -1.118 -14.062 105 1HB PRO 14 HB2 PRO 14 -7.457 0.118 -16.584 106 2HB PRO 14 HB1 PRO 14 -9.108 -0.439 -16.247 107 1HG PRO 14 HG2 PRO 14 -8.494 2.148 -15.998 108 2HG PRO 14 HG1 PRO 14 -9.575 1.365 -14.826 109 1HD PRO 14 HD2 PRO 14 -6.811 2.343 -14.400 110 2HD PRO 14 HD1 PRO 14 -8.031 1.948 -13.183 111 H ARG 15 HN ARG 15 -5.275 -0.776 -15.422 112 HA ARG 15 HA ARG 15 -5.300 -3.587 -16.285 113 1HB ARG 15 HB2 ARG 15 -4.550 -1.858 -17.911 114 2HB ARG 15 HB1 ARG 15 -3.240 -1.406 -16.825 115 1HG ARG 15 HG2 ARG 15 -2.302 -3.701 -17.005 116 2HG ARG 15 HG1 ARG 15 -3.625 -4.147 -18.079 117 1HD ARG 15 HD2 ARG 15 -2.873 -2.330 -19.659 118 2HD ARG 15 HD1 ARG 15 -1.485 -2.062 -18.604 119 HE ARG 15 HE ARG 15 -0.521 -4.008 -19.435 120 1HH1 ARG 15 HH21 ARG 15 -3.903 -3.907 -20.211 121 2HH1 ARG 15 HH22 ARG 15 -3.853 -5.316 -21.218 122 1HH2 ARG 15 HH11 ARG 15 -0.463 -5.862 -20.748 123 2HH2 ARG 15 HH12 ARG 15 -1.909 -6.420 -21.519 124 H LEU 16 HN LEU 16 -3.872 -5.101 -15.424 125 HA LEU 16 HA LEU 16 -2.071 -4.254 -13.194 126 1HB LEU 16 HB2 LEU 16 -2.842 -6.591 -12.173 127 2HB LEU 16 HB1 LEU 16 -3.832 -5.160 -11.939 128 HG LEU 16 HG LEU 16 -5.304 -5.812 -13.787 129 1HD1 LEU 16 HD11 LEU 16 -4.912 -8.249 -14.653 130 2HD1 LEU 16 HD12 LEU 16 -3.257 -8.015 -14.174 131 3HD1 LEU 16 HD13 LEU 16 -4.009 -6.950 -15.367 132 1HD2 LEU 16 HD21 LEU 16 -6.292 -7.816 -12.740 133 2HD2 LEU 16 HD22 LEU 16 -5.790 -6.652 -11.514 134 3HD2 LEU 16 HD23 LEU 16 -4.805 -8.081 -11.830 135 H GLY 17 HN GLY 17 -0.224 -5.494 -12.877 136 1HA GLY 17 HA2 GLY 17 0.844 -6.748 -15.276 137 2HA GLY 17 HA1 GLY 17 1.679 -6.512 -13.739 138 H ALA 18 HN ALA 18 1.126 -8.929 -15.621 139 HA ALA 18 HA ALA 18 1.015 -10.879 -13.515 140 1HB ALA 18 HB1 ALA 18 -1.298 -10.811 -15.505 141 2HB ALA 18 HB2 ALA 18 -1.432 -10.441 -13.787 142 3HB ALA 18 HB3 ALA 18 -1.013 -12.073 -14.306 143 H ARG 19 HN ARG 19 3.041 -10.441 -15.047 144 HA ARG 19 HA ARG 19 3.067 -11.939 -17.512 145 1HB ARG 19 HB2 ARG 19 4.566 -9.987 -17.051 146 2HB ARG 19 HB1 ARG 19 5.380 -10.929 -15.805 147 1HG ARG 19 HG2 ARG 19 6.034 -12.609 -17.537 148 2HG ARG 19 HG1 ARG 19 5.241 -11.623 -18.765 149 1HD ARG 19 HD2 ARG 19 7.623 -11.129 -18.796 150 2HD ARG 19 HD1 ARG 19 6.787 -9.730 -18.132 151 HE ARG 19 HE ARG 19 7.528 -11.417 -15.999 152 1HH1 ARG 19 HH21 ARG 19 8.962 -9.419 -18.452 153 2HH1 ARG 19 HH22 ARG 19 10.359 -9.030 -17.505 154 1HH2 ARG 19 HH11 ARG 19 9.363 -10.908 -14.768 155 2HH2 ARG 19 HH12 ARG 19 10.584 -9.871 -15.425 156 H LEU 20 HN LEU 20 3.413 -14.066 -17.750 157 HA LEU 20 HA LEU 20 3.990 -15.759 -15.401 158 1HB LEU 20 HB2 LEU 20 3.304 -16.564 -18.257 159 2HB LEU 20 HB1 LEU 20 3.267 -17.592 -16.824 160 HG LEU 20 HG LEU 20 1.485 -15.184 -17.333 161 1HD1 LEU 20 HD11 LEU 20 0.941 -17.123 -18.752 162 2HD1 LEU 20 HD12 LEU 20 -0.312 -16.872 -17.536 163 3HD1 LEU 20 HD13 LEU 20 0.877 -18.158 -17.324 164 1HD2 LEU 20 HD21 LEU 20 0.224 -16.203 -15.295 165 2HD2 LEU 20 HD22 LEU 20 1.698 -15.309 -14.963 166 3HD2 LEU 20 HD23 LEU 20 1.724 -17.074 -14.962 167 H VAL 21 HN VAL 21 5.684 -17.257 -15.358 168 HA VAL 21 HA VAL 21 7.966 -16.643 -17.161 169 HB VAL 21 HB VAL 21 8.357 -16.308 -14.715 170 1HG1 VAL 21 HG11 VAL 21 8.359 -18.174 -13.164 171 2HG1 VAL 21 HG12 VAL 21 7.936 -19.306 -14.447 172 3HG1 VAL 21 HG13 VAL 21 6.774 -18.084 -13.930 173 1HG2 VAL 21 HG21 VAL 21 10.227 -16.998 -16.215 174 2HG2 VAL 21 HG22 VAL 21 9.890 -18.685 -15.835 175 3HG2 VAL 21 HG23 VAL 21 10.443 -17.590 -14.570 176 H GLN 22 HN GLN 22 8.819 -18.216 -18.411 177 HA GLN 22 HA GLN 22 7.243 -20.586 -18.900 178 1HB GLN 22 HB2 GLN 22 8.415 -19.220 -20.682 179 2HB GLN 22 HB1 GLN 22 9.950 -19.818 -20.065 180 1HG GLN 22 HG2 GLN 22 9.317 -21.217 -21.949 181 2HG GLN 22 HG1 GLN 22 9.115 -22.182 -20.492 182 1HE2 GLN 22 HE21 GLN 22 7.108 -19.860 -22.412 183 2HE2 GLN 22 HE22 GLN 22 5.705 -20.814 -22.357 184 H GLU 23 HN GLU 23 7.587 -22.587 -18.126 185 HA GLU 23 HA GLU 23 10.127 -23.653 -17.384 186 1HB GLU 23 HB2 GLU 23 9.741 -22.134 -15.425 187 2HB GLU 23 HB1 GLU 23 8.250 -22.999 -15.075 188 1HG GLU 23 HG2 GLU 23 9.520 -25.086 -14.733 189 2HG GLU 23 HG1 GLU 23 11.016 -24.258 -15.152 190 H GLY 24 HN GLY 24 9.758 -25.611 -18.259 191 1HA GLY 24 HA2 GLY 24 8.914 -27.745 -18.474 192 2HA GLY 24 HA1 GLY 24 7.820 -27.417 -17.130 193 H ASN 25 HN ASN 25 6.276 -28.635 -18.568 194 HA ASN 25 HA ASN 25 5.330 -27.204 -20.932 195 1HB ASN 25 HB2 ASN 25 4.318 -29.733 -19.579 196 2HB ASN 25 HB1 ASN 25 3.746 -29.111 -21.128 197 1HD2 ASN 25 HD21 ASN 25 5.575 -28.810 -22.830 198 2HD2 ASN 25 HD22 ASN 25 6.798 -29.986 -22.848 199 H GLN 26 HN GLN 26 5.059 -26.479 -17.865 200 HA GLN 26 HA GLN 26 2.209 -25.587 -17.994 201 1HB GLN 26 HB2 GLN 26 3.739 -26.626 -15.580 202 2HB GLN 26 HB1 GLN 26 2.120 -25.924 -15.531 203 1HG GLN 26 HG2 GLN 26 1.299 -27.699 -17.040 204 2HG GLN 26 HG1 GLN 26 2.913 -28.406 -17.092 205 1HE2 GLN 26 HE21 GLN 26 -0.046 -28.672 -15.527 206 2HE2 GLN 26 HE22 GLN 26 0.478 -29.447 -14.110 207 H LEU 27 HN LEU 27 1.846 -23.512 -17.374 208 HA LEU 27 HA LEU 27 4.183 -21.746 -17.003 209 1HB LEU 27 HB2 LEU 27 1.238 -21.021 -17.288 210 2HB LEU 27 HB1 LEU 27 2.623 -19.944 -17.470 211 HG LEU 27 HG LEU 27 1.950 -22.304 -19.270 212 1HD1 LEU 27 HD11 LEU 27 1.812 -19.313 -19.763 213 2HD1 LEU 27 HD12 LEU 27 0.428 -20.387 -19.552 214 3HD1 LEU 27 HD13 LEU 27 1.478 -20.565 -20.958 215 1HD2 LEU 27 HD21 LEU 27 4.331 -22.115 -19.340 216 2HD2 LEU 27 HD22 LEU 27 4.288 -20.353 -19.272 217 3HD2 LEU 27 HD23 LEU 27 3.791 -21.195 -20.739 218 H HIS 28 HN HIS 28 4.800 -21.074 -15.069 219 HA HIS 28 HA HIS 28 3.281 -21.704 -12.663 220 1HB HIS 28 HB2 HIS 28 5.958 -20.369 -13.182 221 2HB HIS 28 HB1 HIS 28 5.321 -20.663 -11.569 222 HD1 HIS 28 HD1 HIS 28 7.541 -22.237 -11.382 223 HD2 HIS 28 HD2 HIS 28 4.532 -23.597 -13.929 224 HE1 HIS 28 HE1 HIS 28 7.996 -24.697 -11.781 225 HE2 HIS 28 HE2 HIS 28 6.171 -25.540 -13.332 226 H TYR 29 HN TYR 29 1.701 -20.377 -11.978 227 HA TYR 29 HA TYR 29 1.850 -17.449 -12.488 228 1HB TYR 29 HB2 TYR 29 -0.251 -18.396 -13.238 229 2HB TYR 29 HB1 TYR 29 -0.444 -19.308 -11.744 230 HD1 TYR 29 HD1 TYR 29 -1.875 -18.343 -10.053 231 HD2 TYR 29 HD2 TYR 29 0.055 -15.757 -12.905 232 HE1 TYR 29 HE1 TYR 29 -3.023 -16.388 -9.068 233 HE2 TYR 29 HE2 TYR 29 -1.108 -13.811 -11.915 234 HH TYR 29 HH TYR 29 -3.446 -14.213 -9.265 235 H LEU 30 HN LEU 30 2.965 -16.502 -10.936 236 HA LEU 30 HA LEU 30 2.807 -17.383 -8.110 237 1HB LEU 30 HB2 LEU 30 4.636 -15.613 -9.727 238 2HB LEU 30 HB1 LEU 30 4.611 -15.447 -7.979 239 HG LEU 30 HG LEU 30 6.421 -16.957 -8.776 240 1HD1 LEU 30 HD11 LEU 30 5.048 -17.326 -6.519 241 2HD1 LEU 30 HD12 LEU 30 6.252 -18.488 -7.051 242 3HD1 LEU 30 HD13 LEU 30 4.547 -18.821 -7.313 243 1HD2 LEU 30 HD21 LEU 30 5.941 -19.089 -9.802 244 2HD2 LEU 30 HD22 LEU 30 5.170 -17.836 -10.771 245 3HD2 LEU 30 HD23 LEU 30 4.205 -18.830 -9.675 246 H ALA 31 HN ALA 31 1.286 -16.487 -6.874 247 HA ALA 31 HA ALA 31 -0.327 -14.286 -7.547 248 1HB ALA 31 HB1 ALA 31 -1.079 -14.399 -5.208 249 2HB ALA 31 HB2 ALA 31 0.288 -15.446 -4.816 250 3HB ALA 31 HB3 ALA 31 -0.967 -16.010 -5.917 251 H ASP 32 HN ASP 32 2.649 -14.545 -5.677 252 HA ASP 32 HA ASP 32 2.678 -11.911 -4.590 253 1HB ASP 32 HB2 ASP 32 4.944 -13.850 -5.148 254 2HB ASP 32 HB1 ASP 32 5.078 -12.400 -4.154 255 H ARG 33 HN ARG 33 3.110 -13.027 -7.763 256 HA ARG 33 HA ARG 33 4.682 -10.628 -8.595 257 1HB ARG 33 HB2 ARG 33 4.249 -13.251 -10.054 258 2HB ARG 33 HB1 ARG 33 5.246 -11.917 -10.614 259 1HG ARG 33 HG2 ARG 33 5.802 -13.321 -7.960 260 2HG ARG 33 HG1 ARG 33 6.483 -13.901 -9.475 261 1HD ARG 33 HD2 ARG 33 6.937 -11.152 -8.250 262 2HD ARG 33 HD1 ARG 33 8.096 -12.467 -8.327 263 HE ARG 33 HE ARG 33 7.272 -11.961 -10.950 264 1HH1 ARG 33 HH21 ARG 33 8.912 -10.326 -8.360 265 2HH1 ARG 33 HH22 ARG 33 9.892 -9.362 -9.414 266 1HH2 ARG 33 HH11 ARG 33 8.559 -10.701 -12.320 267 2HH2 ARG 33 HH12 ARG 33 9.693 -9.575 -11.651 268 H ALA 34 HN ALA 34 2.269 -9.851 -8.104 269 HA ALA 34 HA ALA 34 1.290 -9.004 -10.607 270 1HB ALA 34 HB1 ALA 34 -0.970 -10.032 -10.553 271 2HB ALA 34 HB2 ALA 34 -0.506 -10.969 -9.133 272 3HB ALA 34 HB3 ALA 34 0.278 -11.272 -10.683 273 H SER 35 HN SER 35 -1.002 -7.890 -10.229 274 HA SER 35 HA SER 35 -1.017 -6.558 -7.557 275 1HB SER 35 HB2 SER 35 0.153 -5.129 -9.167 276 2HB SER 35 HB1 SER 35 -1.217 -5.222 -10.271 277 HG SER 35 HG SER 35 -0.844 -3.617 -8.156 278 H ILE 36 HN ILE 36 -3.050 -6.567 -6.687 279 HA ILE 36 HA ILE 36 -5.347 -7.413 -8.308 280 HB ILE 36 HB ILE 36 -6.553 -7.354 -6.105 281 1HG1 ILE 36 HG12 ILE 36 -3.810 -6.667 -4.946 282 2HG1 ILE 36 HG11 ILE 36 -5.124 -5.508 -5.087 283 1HG2 ILE 36 HG21 ILE 36 -3.921 -8.871 -6.073 284 2HG2 ILE 36 HG22 ILE 36 -5.393 -9.399 -6.889 285 3HG2 ILE 36 HG23 ILE 36 -5.358 -9.277 -5.135 286 1HD1 ILE 36 HD11 ILE 36 -5.161 -8.056 -3.449 287 2HD1 ILE 36 HD12 ILE 36 -6.549 -6.991 -3.673 288 3HD1 ILE 36 HD13 ILE 36 -5.112 -6.404 -2.836 289 H THR 37 HN THR 37 -7.206 -6.185 -8.645 290 HA THR 37 HA THR 37 -7.093 -3.277 -8.021 291 HB THR 37 HB THR 37 -7.929 -2.797 -10.292 292 HG1 THR 37 HG1 THR 37 -8.695 -4.377 -11.406 293 1HG2 THR 37 HG21 THR 37 -5.414 -4.486 -10.274 294 2HG2 THR 37 HG22 THR 37 -5.498 -2.767 -9.901 295 3HG2 THR 37 HG23 THR 37 -5.862 -3.336 -11.531 296 H GLY 38 HN GLY 38 -9.019 -2.483 -7.282 297 1HA GLY 38 HA2 GLY 38 -11.203 -2.440 -6.568 298 2HA GLY 38 HA1 GLY 38 -11.579 -3.404 -7.992 299 H LYS 39 HN LYS 39 -11.215 -3.420 -4.581 300 HA LYS 39 HA LYS 39 -10.744 -6.151 -4.040 301 1HB LYS 39 HB2 LYS 39 -12.399 -4.122 -2.499 302 2HB LYS 39 HB1 LYS 39 -11.863 -5.676 -1.859 303 1HG LYS 39 HG2 LYS 39 -9.509 -5.007 -2.176 304 2HG LYS 39 HG1 LYS 39 -10.032 -3.457 -2.836 305 1HD LYS 39 HD2 LYS 39 -11.167 -2.939 -0.683 306 2HD LYS 39 HD1 LYS 39 -10.596 -4.473 -0.027 307 1HE LYS 39 HE2 LYS 39 -8.832 -2.212 -1.022 308 2HE LYS 39 HE1 LYS 39 -9.123 -2.622 0.668 309 1HZ LYS 39 HZ1 LYS 39 -7.753 -4.264 -1.382 310 2HZ LYS 39 HZ2 LYS 39 -8.254 -4.887 0.117 311 3HZ LYS 39 HZ3 LYS 39 -7.102 -3.639 0.055 312 H PHE 40 HN PHE 40 -11.923 -7.938 -4.257 313 HA PHE 40 HA PHE 40 -14.718 -7.803 -5.256 314 1HB PHE 40 HB2 PHE 40 -12.776 -10.134 -5.018 315 2HB PHE 40 HB1 PHE 40 -14.311 -10.106 -5.889 316 HD1 PHE 40 HD1 PHE 40 -14.555 -8.765 -7.990 317 HD2 PHE 40 HD2 PHE 40 -10.773 -9.065 -5.957 318 HE1 PHE 40 HE1 PHE 40 -13.398 -7.889 -9.999 319 HE2 PHE 40 HE2 PHE 40 -9.624 -8.191 -7.967 320 HZ PHE 40 HZ PHE 40 -10.935 -7.603 -9.989 321 H SER 41 HN SER 41 -16.354 -8.469 -4.130 322 HA SER 41 HA SER 41 -16.240 -8.826 -1.308 323 1HB SER 41 HB2 SER 41 -18.476 -9.434 -3.261 324 2HB SER 41 HB1 SER 41 -18.643 -9.286 -1.513 325 HG SER 41 HG SER 41 -17.779 -7.126 -1.781 326 H ASP 42 HN ASP 42 -17.240 -10.718 -0.228 327 HA ASP 42 HA ASP 42 -15.820 -13.137 -0.798 328 1HB ASP 42 HB2 ASP 42 -16.565 -12.436 1.485 329 2HB ASP 42 HB1 ASP 42 -18.232 -12.719 0.997 330 H ALA 43 HN ALA 43 -18.835 -11.890 -1.988 331 HA ALA 43 HA ALA 43 -19.749 -14.561 -2.855 332 1HB ALA 43 HB1 ALA 43 -21.733 -13.361 -3.680 333 2HB ALA 43 HB2 ALA 43 -20.981 -11.818 -3.273 334 3HB ALA 43 HB3 ALA 43 -21.412 -12.954 -1.994 335 H GLU 44 HN GLU 44 -17.760 -12.081 -3.965 336 HA GLU 44 HA GLU 44 -18.085 -12.723 -6.876 337 1HB GLU 44 HB2 GLU 44 -16.772 -10.381 -5.469 338 2HB GLU 44 HB1 GLU 44 -16.873 -10.598 -7.216 339 1HG GLU 44 HG2 GLU 44 -19.287 -10.393 -5.370 340 2HG GLU 44 HG1 GLU 44 -18.639 -9.055 -6.313 341 H CYS 45 HN CYS 45 -15.840 -12.957 -4.188 342 HA CYS 45 HA CYS 45 -13.513 -13.319 -5.846 343 1HB CYS 45 HB2 CYS 45 -13.967 -12.982 -3.071 344 2HB CYS 45 HB1 CYS 45 -13.295 -14.602 -3.180 345 HG CYS 45 HG CYS 45 -11.364 -13.244 -4.725 346 HA PRO 46 HA PRO 46 -14.438 -18.080 -4.936 347 1HB PRO 46 HB2 PRO 46 -17.458 -17.898 -4.964 348 2HB PRO 46 HB1 PRO 46 -16.409 -18.964 -3.998 349 1HG PRO 46 HG2 PRO 46 -17.559 -16.890 -2.838 350 2HG PRO 46 HG1 PRO 46 -15.848 -17.235 -2.495 351 1HD PRO 46 HD2 PRO 46 -16.983 -15.158 -4.401 352 2HD PRO 46 HD1 PRO 46 -15.686 -14.973 -3.200 353 H LYS 47 HN LYS 47 -17.042 -16.419 -6.735 354 HA LYS 47 HA LYS 47 -17.257 -18.259 -8.824 355 1HB LYS 47 HB2 LYS 47 -18.869 -16.386 -8.229 356 2HB LYS 47 HB1 LYS 47 -17.769 -15.272 -9.026 357 1HG LYS 47 HG2 LYS 47 -19.268 -15.751 -10.796 358 2HG LYS 47 HG1 LYS 47 -18.016 -16.948 -11.106 359 1HD LYS 47 HD2 LYS 47 -19.386 -18.631 -9.822 360 2HD LYS 47 HD1 LYS 47 -20.642 -17.413 -9.635 361 1HE LYS 47 HE2 LYS 47 -19.592 -18.472 -12.278 362 2HE LYS 47 HE1 LYS 47 -21.131 -18.907 -11.536 363 1HZ LYS 47 HZ1 LYS 47 -21.066 -16.155 -11.568 364 2HZ LYS 47 HZ2 LYS 47 -21.995 -17.167 -12.569 365 3HZ LYS 47 HZ3 LYS 47 -20.470 -16.624 -13.085 366 H LEU 48 HN LEU 48 -15.258 -15.317 -8.598 367 HA LEU 48 HA LEU 48 -14.295 -15.379 -11.233 368 1HB LEU 48 HB2 LEU 48 -14.095 -13.575 -9.241 369 2HB LEU 48 HB1 LEU 48 -12.533 -14.335 -8.987 370 HG LEU 48 HG LEU 48 -13.519 -13.024 -11.555 371 1HD1 LEU 48 HD11 LEU 48 -12.888 -11.442 -9.773 372 2HD1 LEU 48 HD12 LEU 48 -11.720 -11.393 -11.092 373 3HD1 LEU 48 HD13 LEU 48 -11.326 -12.248 -9.602 374 1HD2 LEU 48 HD21 LEU 48 -10.967 -14.571 -10.959 375 2HD2 LEU 48 HD22 LEU 48 -11.065 -13.397 -12.276 376 3HD2 LEU 48 HD23 LEU 48 -12.114 -14.804 -12.278 377 H ASP 49 HN ASP 49 -13.153 -16.913 -8.263 378 HA ASP 49 HA ASP 49 -10.708 -17.943 -9.235 379 1HB ASP 49 HB2 ASP 49 -11.338 -17.833 -6.825 380 2HB ASP 49 HB1 ASP 49 -12.508 -19.122 -7.089 381 H VAL 50 HN VAL 50 -13.886 -18.727 -10.142 382 HA VAL 50 HA VAL 50 -13.134 -21.463 -11.022 383 HB VAL 50 HB VAL 50 -15.880 -20.142 -10.874 384 1HG1 VAL 50 HG11 VAL 50 -15.900 -21.789 -12.678 385 2HG1 VAL 50 HG12 VAL 50 -16.719 -22.500 -11.293 386 3HG1 VAL 50 HG13 VAL 50 -15.059 -22.967 -11.669 387 1HG2 VAL 50 HG21 VAL 50 -16.267 -21.708 -9.009 388 2HG2 VAL 50 HG22 VAL 50 -14.878 -20.680 -8.667 389 3HG2 VAL 50 HG23 VAL 50 -14.632 -22.344 -9.189 390 H VAL 51 HN VAL 51 -13.475 -18.280 -12.145 391 HA VAL 51 HA VAL 51 -13.877 -19.060 -14.969 392 HB VAL 51 HB VAL 51 -13.462 -16.325 -13.707 393 1HG1 VAL 51 HG11 VAL 51 -14.375 -15.514 -15.925 394 2HG1 VAL 51 HG12 VAL 51 -14.241 -17.165 -16.531 395 3HG1 VAL 51 HG13 VAL 51 -12.793 -16.277 -16.064 396 1HG2 VAL 51 HG21 VAL 51 -15.568 -17.430 -13.010 397 2HG2 VAL 51 HG22 VAL 51 -15.977 -17.720 -14.697 398 3HG2 VAL 51 HG23 VAL 51 -15.896 -16.071 -14.081 399 H PHE 52 HN PHE 52 -11.286 -18.104 -12.756 400 HA PHE 52 HA PHE 52 -9.371 -17.398 -14.752 401 1HB PHE 52 HB2 PHE 52 -9.450 -17.289 -11.939 402 2HB PHE 52 HB1 PHE 52 -8.181 -18.464 -12.230 403 HD1 PHE 52 HD1 PHE 52 -6.109 -17.833 -13.449 404 HD2 PHE 52 HD2 PHE 52 -9.172 -14.929 -12.616 405 HE1 PHE 52 HE1 PHE 52 -4.519 -16.006 -13.960 406 HE2 PHE 52 HE2 PHE 52 -7.576 -13.108 -13.124 407 HZ PHE 52 HZ PHE 52 -5.247 -13.648 -13.796 408 HA PRO 53 HA PRO 53 -7.751 -22.018 -14.150 409 1HB PRO 53 HB2 PRO 53 -10.470 -23.281 -13.703 410 2HB PRO 53 HB1 PRO 53 -8.891 -23.764 -13.034 411 1HG PRO 53 HG2 PRO 53 -10.581 -22.492 -11.468 412 2HG PRO 53 HG1 PRO 53 -8.879 -21.967 -11.489 413 1HD PRO 53 HD2 PRO 53 -11.205 -20.742 -12.978 414 2HD PRO 53 HD1 PRO 53 -10.018 -19.919 -11.961 415 H HIS 54 HN HIS 54 -10.923 -21.285 -15.501 416 HA HIS 54 HA HIS 54 -10.817 -23.051 -17.734 417 1HB HIS 54 HB2 HIS 54 -12.338 -20.446 -17.384 418 2HB HIS 54 HB1 HIS 54 -12.643 -21.642 -18.645 419 HD1 HIS 54 HD1 HIS 54 -12.051 -24.047 -16.483 420 HD2 HIS 54 HD2 HIS 54 -14.929 -21.042 -16.233 421 HE1 HIS 54 HE1 HIS 54 -13.855 -24.912 -14.933 422 HE2 HIS 54 HE2 HIS 54 -15.619 -23.093 -14.769 423 H PHE 55 HN PHE 55 -9.842 -19.682 -17.248 424 HA PHE 55 HA PHE 55 -9.114 -19.126 -19.961 425 1HB PHE 55 HB2 PHE 55 -9.496 -17.406 -18.167 426 2HB PHE 55 HB1 PHE 55 -7.981 -17.905 -17.421 427 HD1 PHE 55 HD1 PHE 55 -9.380 -16.861 -20.762 428 HD2 PHE 55 HD2 PHE 55 -5.972 -16.747 -18.124 429 HE1 PHE 55 HE1 PHE 55 -8.176 -15.420 -22.365 430 HE2 PHE 55 HE2 PHE 55 -4.786 -15.299 -19.741 431 HZ PHE 55 HZ PHE 55 -5.882 -14.647 -21.864 432 H ILE 56 HN ILE 56 -7.240 -20.435 -17.211 433 HA ILE 56 HA ILE 56 -4.791 -20.544 -18.717 434 HB ILE 56 HB ILE 56 -5.578 -22.149 -16.256 435 1HG1 ILE 56 HG12 ILE 56 -5.825 -19.750 -15.814 436 2HG1 ILE 56 HG11 ILE 56 -4.429 -20.376 -14.957 437 1HG2 ILE 56 HG21 ILE 56 -2.866 -21.481 -17.454 438 2HG2 ILE 56 HG22 ILE 56 -3.596 -23.082 -17.334 439 3HG2 ILE 56 HG23 ILE 56 -3.098 -22.232 -15.875 440 1HD1 ILE 56 HD11 ILE 56 -3.059 -19.510 -17.034 441 2HD1 ILE 56 HD12 ILE 56 -3.648 -18.349 -15.856 442 3HD1 ILE 56 HD13 ILE 56 -4.509 -18.567 -17.370 443 H SER 57 HN SER 57 -7.463 -22.775 -18.161 444 HA SER 57 HA SER 57 -6.313 -25.111 -19.202 445 1HB SER 57 HB2 SER 57 -8.463 -25.082 -18.010 446 2HB SER 57 HB1 SER 57 -9.202 -24.204 -19.346 447 HG SER 57 HG SER 57 -9.545 -26.474 -19.470 448 H GLN 58 HN GLN 58 -8.133 -22.532 -20.880 449 HA GLN 58 HA GLN 58 -7.964 -23.754 -23.478 450 1HB GLN 58 HB2 GLN 58 -8.439 -20.854 -22.689 451 2HB GLN 58 HB1 GLN 58 -8.680 -21.506 -24.309 452 1HG GLN 58 HG2 GLN 58 -10.150 -22.513 -21.839 453 2HG GLN 58 HG1 GLN 58 -10.809 -21.326 -22.961 454 1HE2 GLN 58 HE21 GLN 58 -10.490 -22.214 -25.431 455 2HE2 GLN 58 HE22 GLN 58 -11.045 -23.803 -25.647 456 H ILE 59 HN ILE 59 -5.877 -21.425 -21.785 457 HA ILE 59 HA ILE 59 -4.277 -20.746 -24.018 458 HB ILE 59 HB ILE 59 -3.642 -20.892 -21.047 459 1HG1 ILE 59 HG12 ILE 59 -3.992 -18.445 -22.838 460 2HG1 ILE 59 HG11 ILE 59 -5.330 -19.170 -21.967 461 1HG2 ILE 59 HG21 ILE 59 -1.625 -19.412 -21.635 462 2HG2 ILE 59 HG22 ILE 59 -1.881 -19.873 -23.317 463 3HG2 ILE 59 HG23 ILE 59 -1.468 -21.100 -22.121 464 1HD1 ILE 59 HD11 ILE 59 -4.656 -18.317 -19.958 465 2HD1 ILE 59 HD12 ILE 59 -3.774 -17.173 -20.963 466 3HD1 ILE 59 HD13 ILE 59 -2.937 -18.562 -20.281 467 H GLU 60 HN GLU 60 -3.990 -23.444 -21.703 468 HA GLU 60 HA GLU 60 -1.586 -24.514 -22.666 469 1HB GLU 60 HB2 GLU 60 -2.768 -25.197 -20.566 470 2HB GLU 60 HB1 GLU 60 -3.955 -26.053 -21.545 471 1HG GLU 60 HG2 GLU 60 -2.187 -27.506 -22.458 472 2HG GLU 60 HG1 GLU 60 -0.968 -26.617 -21.548 473 H SER 61 HN SER 61 -4.925 -24.969 -23.759 474 HA SER 61 HA SER 61 -4.433 -27.009 -25.681 475 1HB SER 61 HB2 SER 61 -6.643 -24.936 -25.666 476 2HB SER 61 HB1 SER 61 -6.645 -26.467 -26.538 477 HG SER 61 HG SER 61 -7.724 -26.782 -24.624 478 H MET 62 HN MET 62 -4.425 -23.453 -25.916 479 HA MET 62 HA MET 62 -4.208 -23.260 -28.729 480 1HB MET 62 HB2 MET 62 -3.507 -21.458 -26.413 481 2HB MET 62 HB1 MET 62 -2.925 -20.999 -28.008 482 1HG MET 62 HG2 MET 62 -5.144 -19.960 -27.381 483 2HG MET 62 HG1 MET 62 -5.181 -20.880 -28.881 484 1HE MET 62 HE1 MET 62 -8.151 -23.019 -28.398 485 2HE MET 62 HE2 MET 62 -6.630 -22.983 -29.286 486 3HE MET 62 HE3 MET 62 -7.595 -21.515 -29.145 487 H LEU 63 HN LEU 63 -1.708 -23.641 -26.228 488 HA LEU 63 HA LEU 63 0.512 -23.321 -27.948 489 1HB LEU 63 HB2 LEU 63 0.285 -25.014 -25.434 490 2HB LEU 63 HB1 LEU 63 1.798 -24.510 -26.184 491 HG LEU 63 HG LEU 63 -0.301 -22.609 -25.077 492 1HD1 LEU 63 HD11 LEU 63 2.376 -23.444 -23.919 493 2HD1 LEU 63 HD12 LEU 63 0.794 -23.910 -23.293 494 3HD1 LEU 63 HD13 LEU 63 1.303 -22.223 -23.238 495 1HD2 LEU 63 HD21 LEU 63 0.871 -21.350 -26.708 496 2HD2 LEU 63 HD22 LEU 63 2.408 -22.147 -26.374 497 3HD2 LEU 63 HD23 LEU 63 1.749 -20.975 -25.234 498 H THR 64 HN THR 64 -1.527 -26.080 -27.223 499 HA THR 64 HA THR 64 0.112 -27.944 -28.785 500 HB THR 64 HB THR 64 -1.606 -29.581 -28.186 501 HG1 THR 64 HG1 THR 64 -3.299 -28.712 -26.747 502 1HG2 THR 64 HG21 THR 64 -0.896 -27.778 -25.849 503 2HG2 THR 64 HG22 THR 64 0.144 -29.036 -26.519 504 3HG2 THR 64 HG23 THR 64 -1.377 -29.471 -25.740 505 H THR 65 HN THR 65 -3.344 -26.950 -28.983 506 HA THR 65 HA THR 65 -3.583 -27.860 -31.710 507 HB THR 65 HB THR 65 -5.861 -26.962 -31.584 508 HG1 THR 65 HG1 THR 65 -4.738 -25.253 -29.957 509 1HG2 THR 65 HG21 THR 65 -5.014 -28.234 -28.962 510 2HG2 THR 65 HG22 THR 65 -5.396 -29.109 -30.445 511 3HG2 THR 65 HG23 THR 65 -6.653 -28.198 -29.609 512 H GLY 66 HN GLY 66 -3.237 -24.658 -30.200 513 1HA GLY 66 HA2 GLY 66 -3.512 -23.231 -32.727 514 2HA GLY 66 HA1 GLY 66 -3.094 -22.542 -31.163 515 H GLU 67 HN GLU 67 -1.103 -25.047 -31.347 516 HA GLU 67 HA GLU 67 1.210 -25.016 -31.338 517 1HB GLU 67 HB2 GLU 67 2.013 -25.111 -33.819 518 2HB GLU 67 HB1 GLU 67 0.831 -26.305 -33.289 519 1HG GLU 67 HG2 GLU 67 -0.998 -25.036 -34.270 520 2HG GLU 67 HG1 GLU 67 0.079 -23.704 -34.675 521 H LEU 68 HN LEU 68 1.523 -22.971 -30.218 522 HA LEU 68 HA LEU 68 1.980 -20.541 -31.734 523 1HB LEU 68 HB2 LEU 68 2.114 -21.357 -28.840 524 2HB LEU 68 HB1 LEU 68 2.978 -19.898 -29.295 525 HG LEU 68 HG LEU 68 0.662 -19.450 -28.463 526 1HD1 LEU 68 HD11 LEU 68 1.893 -18.052 -30.381 527 2HD1 LEU 68 HD12 LEU 68 0.236 -17.706 -29.923 528 3HD1 LEU 68 HD13 LEU 68 0.558 -18.642 -31.375 529 1HD2 LEU 68 HD21 LEU 68 -0.334 -21.574 -29.413 530 2HD2 LEU 68 HD22 LEU 68 -0.320 -20.810 -30.998 531 3HD2 LEU 68 HD23 LEU 68 -1.293 -20.127 -29.700 532 H ASN 69 HN ASN 69 3.928 -19.457 -31.974 533 HA ASN 69 HA ASN 69 6.451 -20.956 -31.580 534 1HB ASN 69 HB2 ASN 69 5.589 -21.446 -33.865 535 2HB ASN 69 HB1 ASN 69 5.554 -19.720 -34.209 536 1HD2 ASN 69 HD21 ASN 69 7.621 -22.530 -33.965 537 2HD2 ASN 69 HD22 ASN 69 9.064 -21.747 -34.399 538 HA PRO 70 HA PRO 70 6.579 -16.378 -30.223 539 1HB PRO 70 HB2 PRO 70 8.649 -17.826 -28.542 540 2HB PRO 70 HB1 PRO 70 7.560 -16.496 -28.071 541 1HG PRO 70 HG2 PRO 70 6.980 -18.948 -27.296 542 2HG PRO 70 HG1 PRO 70 5.683 -17.924 -27.959 543 1HD PRO 70 HD2 PRO 70 7.172 -20.181 -29.327 544 2HD PRO 70 HD1 PRO 70 5.441 -19.774 -29.414 545 H ARG 71 HN ARG 71 7.490 -15.441 -31.989 546 HA ARG 71 HA ARG 71 10.292 -15.169 -32.100 547 1HB ARG 71 HB2 ARG 71 10.004 -17.464 -33.158 548 2HB ARG 71 HB1 ARG 71 9.090 -16.701 -34.452 549 1HG ARG 71 HG2 ARG 71 11.056 -15.323 -35.033 550 2HG ARG 71 HG1 ARG 71 11.968 -16.059 -33.716 551 1HD ARG 71 HD2 ARG 71 10.763 -17.589 -36.046 552 2HD ARG 71 HD1 ARG 71 12.454 -17.105 -35.935 553 HE ARG 71 HE ARG 71 11.812 -18.519 -33.594 554 1HH1 ARG 71 HH21 ARG 71 12.086 -19.036 -37.019 555 2HH1 ARG 71 HH22 ARG 71 12.537 -20.700 -36.864 556 1HH2 ARG 71 HH11 ARG 71 12.401 -20.694 -33.400 557 2HH2 ARG 71 HH12 ARG 71 12.716 -21.638 -34.818 558 H HIS 72 HN HIS 72 7.122 -14.494 -33.154 559 HA HIS 72 HA HIS 72 7.960 -11.970 -34.460 560 1HB HIS 72 HB2 HIS 72 7.576 -13.674 -36.259 561 2HB HIS 72 HB1 HIS 72 5.923 -13.876 -35.684 562 HD1 HIS 72 HD1 HIS 72 8.132 -10.892 -36.632 563 HD2 HIS 72 HD2 HIS 72 4.220 -12.247 -37.122 564 HE1 HIS 72 HE1 HIS 72 6.937 -9.143 -38.019 565 HE2 HIS 72 HE2 HIS 72 4.550 -9.955 -38.328 566 H ALA 73 HN ALA 73 6.606 -10.281 -34.134 567 HA ALA 73 HA ALA 73 4.916 -10.250 -31.921 568 1HB ALA 73 HB1 ALA 73 4.928 -8.366 -34.298 569 2HB ALA 73 HB2 ALA 73 5.964 -8.240 -32.878 570 3HB ALA 73 HB3 ALA 73 4.222 -8.024 -32.716 571 H GLN 74 HN GLN 74 2.843 -10.948 -31.645 572 HA GLN 74 HA GLN 74 0.826 -10.713 -33.699 573 1HB GLN 74 HB2 GLN 74 2.342 -13.223 -33.495 574 2HB GLN 74 HB1 GLN 74 0.665 -13.534 -33.072 575 1HG GLN 74 HG2 GLN 74 -0.051 -12.481 -35.205 576 2HG GLN 74 HG1 GLN 74 1.636 -12.204 -35.629 577 1HE2 GLN 74 HE21 GLN 74 2.200 -13.734 -37.189 578 2HE2 GLN 74 HE22 GLN 74 1.800 -15.382 -37.117 579 H CYS 75 HN CYS 75 -0.547 -9.706 -32.361 580 HA CYS 75 HA CYS 75 -1.012 -10.663 -29.636 581 1HB CYS 75 HB2 CYS 75 -2.432 -8.662 -29.435 582 2HB CYS 75 HB1 CYS 75 -0.833 -8.251 -30.054 583 HG CYS 75 HG CYS 75 -3.262 -8.586 -31.998 584 H VAL 76 HN VAL 76 -2.989 -11.402 -28.870 585 HA VAL 76 HA VAL 76 -5.115 -12.012 -30.850 586 HB VAL 76 HB VAL 76 -5.390 -14.279 -29.796 587 1HG1 VAL 76 HG11 VAL 76 -4.087 -14.007 -31.879 588 2HG1 VAL 76 HG12 VAL 76 -3.417 -15.296 -30.881 589 3HG1 VAL 76 HG13 VAL 76 -2.627 -13.720 -30.933 590 1HG2 VAL 76 HG21 VAL 76 -2.777 -13.551 -28.409 591 2HG2 VAL 76 HG22 VAL 76 -3.519 -15.150 -28.398 592 3HG2 VAL 76 HG23 VAL 76 -4.328 -13.801 -27.610 593 H THR 77 HN THR 77 -7.213 -12.209 -29.948 594 HA THR 77 HA THR 77 -7.562 -11.218 -27.152 595 HB THR 77 HB THR 77 -9.492 -9.903 -27.967 596 HG1 THR 77 HG1 THR 77 -10.179 -10.162 -29.924 597 1HG2 THR 77 HG21 THR 77 -7.272 -8.831 -27.808 598 2HG2 THR 77 HG22 THR 77 -8.205 -8.165 -29.150 599 3HG2 THR 77 HG23 THR 77 -6.915 -9.326 -29.465 600 H LEU 78 HN LEU 78 -8.387 -12.914 -26.073 601 HA LEU 78 HA LEU 78 -10.219 -14.835 -27.368 602 1HB LEU 78 HB2 LEU 78 -8.717 -14.747 -24.728 603 2HB LEU 78 HB1 LEU 78 -9.997 -15.928 -25.002 604 HG LEU 78 HG LEU 78 -8.786 -16.798 -26.971 605 1HD1 LEU 78 HD11 LEU 78 -7.574 -14.917 -27.810 606 2HD1 LEU 78 HD12 LEU 78 -6.342 -16.037 -27.250 607 3HD1 LEU 78 HD13 LEU 78 -6.768 -14.634 -26.266 608 1HD2 LEU 78 HD21 LEU 78 -6.907 -17.838 -25.729 609 2HD2 LEU 78 HD22 LEU 78 -8.369 -17.786 -24.745 610 3HD2 LEU 78 HD23 LEU 78 -7.074 -16.621 -24.464 611 H TYR 79 HN TYR 79 -12.252 -15.375 -26.298 612 HA TYR 79 HA TYR 79 -13.401 -13.303 -24.521 613 1HB TYR 79 HB2 TYR 79 -14.684 -14.277 -27.104 614 2HB TYR 79 HB1 TYR 79 -15.410 -13.169 -25.939 615 HD1 TYR 79 HD1 TYR 79 -12.866 -13.530 -28.596 616 HD2 TYR 79 HD2 TYR 79 -14.520 -10.857 -25.657 617 HE1 TYR 79 HE1 TYR 79 -11.725 -11.619 -29.685 618 HE2 TYR 79 HE2 TYR 79 -13.379 -8.954 -26.756 619 HH TYR 79 HH TYR 79 -11.573 -9.377 -29.775 620 H HIS 80 HN HIS 80 -14.329 -14.334 -22.830 621 HA HIS 80 HA HIS 80 -15.971 -16.701 -23.230 622 1HB HIS 80 HB2 HIS 80 -13.309 -16.833 -21.772 623 2HB HIS 80 HB1 HIS 80 -14.599 -17.972 -21.398 624 HD1 HIS 80 HD1 HIS 80 -12.043 -17.154 -23.994 625 HD2 HIS 80 HD2 HIS 80 -15.267 -19.760 -23.553 626 HE1 HIS 80 HE1 HIS 80 -11.852 -18.857 -25.861 627 HE2 HIS 80 HE2 HIS 80 -13.811 -20.452 -25.605 628 H ASN 81 HN ASN 81 -17.589 -16.734 -21.713 629 HA ASN 81 HA ASN 81 -18.942 -15.997 -20.018 630 1HB ASN 81 HB2 ASN 81 -17.218 -17.288 -18.747 631 2HB ASN 81 HB1 ASN 81 -16.314 -15.796 -18.509 632 1HD2 ASN 81 HD21 ASN 81 -19.679 -17.024 -18.018 633 2HD2 ASN 81 HD22 ASN 81 -19.907 -16.217 -16.542 634 H GLY 82 HN GLY 82 -17.777 -13.982 -21.850 635 1HA GLY 82 HA2 GLY 82 -18.196 -11.715 -22.109 636 2HA GLY 82 HA1 GLY 82 -18.648 -11.604 -20.413 637 H PHE 83 HN PHE 83 -15.994 -12.980 -19.694 638 HA PHE 83 HA PHE 83 -14.459 -10.596 -19.287 639 1HB PHE 83 HB2 PHE 83 -13.925 -13.556 -18.886 640 2HB PHE 83 HB1 PHE 83 -12.667 -12.360 -18.580 641 HD1 PHE 83 HD1 PHE 83 -12.807 -10.841 -16.658 642 HD2 PHE 83 HD2 PHE 83 -16.018 -13.573 -17.499 643 HE1 PHE 83 HE1 PHE 83 -13.798 -10.364 -14.440 644 HE2 PHE 83 HE2 PHE 83 -17.004 -13.093 -15.278 645 HZ PHE 83 HZ PHE 83 -15.895 -11.489 -13.748 646 H THR 84 HN THR 84 -12.683 -9.826 -20.376 647 HA THR 84 HA THR 84 -11.816 -11.216 -22.860 648 HB THR 84 HB THR 84 -12.278 -8.230 -22.505 649 HG1 THR 84 HG1 THR 84 -13.899 -10.277 -23.217 650 1HG2 THR 84 HG21 THR 84 -11.483 -9.892 -24.924 651 2HG2 THR 84 HG22 THR 84 -10.465 -8.710 -24.099 652 3HG2 THR 84 HG23 THR 84 -11.900 -8.180 -24.968 653 H CYS 85 HN CYS 85 -9.790 -11.854 -22.387 654 HA CYS 85 HA CYS 85 -8.024 -10.163 -20.742 655 1HB CYS 85 HB2 CYS 85 -8.083 -12.549 -20.207 656 2HB CYS 85 HB1 CYS 85 -7.700 -12.965 -21.872 657 HG CYS 85 HG CYS 85 -5.292 -12.397 -21.496 658 H GLU 86 HN GLU 86 -6.127 -9.158 -21.695 659 HA GLU 86 HA GLU 86 -5.928 -9.344 -24.641 660 1HB GLU 86 HB2 GLU 86 -5.013 -7.209 -22.672 661 2HB GLU 86 HB1 GLU 86 -4.628 -7.177 -24.395 662 1HG GLU 86 HG2 GLU 86 -7.025 -7.129 -24.950 663 2HG GLU 86 HG1 GLU 86 -7.438 -7.209 -23.240 664 H ALA 87 HN ALA 87 -4.089 -10.296 -25.451 665 HA ALA 87 HA ALA 87 -1.709 -10.656 -23.692 666 1HB ALA 87 HB1 ALA 87 -3.013 -12.744 -23.666 667 2HB ALA 87 HB2 ALA 87 -1.493 -12.963 -24.533 668 3HB ALA 87 HB3 ALA 87 -3.002 -12.784 -25.429 669 H ASP 88 HN ASP 88 0.236 -10.415 -24.751 670 HA ASP 88 HA ASP 88 0.301 -10.379 -27.676 671 1HB ASP 88 HB2 ASP 88 1.456 -8.029 -26.121 672 2HB ASP 88 HB1 ASP 88 1.202 -8.161 -27.861 673 H THR 89 HN THR 89 2.212 -11.252 -28.443 674 HA THR 89 HA THR 89 4.116 -12.199 -26.424 675 HB THR 89 HB THR 89 5.003 -13.567 -28.334 676 HG1 THR 89 HG1 THR 89 4.302 -12.008 -29.941 677 1HG2 THR 89 HG21 THR 89 2.992 -14.997 -28.541 678 2HG2 THR 89 HG22 THR 89 2.002 -13.692 -27.886 679 3HG2 THR 89 HG23 THR 89 3.233 -14.456 -26.878 680 H LEU 90 HN LEU 90 3.903 -10.023 -29.218 681 HA LEU 90 HA LEU 90 5.294 -8.552 -30.176 682 1HB LEU 90 HB2 LEU 90 6.186 -8.501 -27.287 683 2HB LEU 90 HB1 LEU 90 7.189 -7.648 -28.454 684 HG LEU 90 HG LEU 90 5.237 -6.312 -29.177 685 1HD1 LEU 90 HD11 LEU 90 3.124 -6.437 -27.812 686 2HD1 LEU 90 HD12 LEU 90 3.756 -7.894 -27.046 687 3HD1 LEU 90 HD13 LEU 90 3.423 -7.879 -28.777 688 1HD2 LEU 90 HD21 LEU 90 4.980 -4.985 -27.107 689 2HD2 LEU 90 HD22 LEU 90 6.655 -5.491 -27.320 690 3HD2 LEU 90 HD23 LEU 90 5.621 -6.328 -26.161 691 H GLY 91 HN GLY 91 5.988 -11.546 -29.803 692 1HA GLY 91 HA2 GLY 91 7.504 -12.931 -30.880 693 2HA GLY 91 HA1 GLY 91 8.429 -11.514 -31.379 694 H SER 92 HN SER 92 7.534 -11.679 -28.083 695 HA SER 92 HA SER 92 10.216 -11.616 -27.182 696 1HB SER 92 HB2 SER 92 7.642 -12.043 -25.658 697 2HB SER 92 HB1 SER 92 9.208 -11.743 -24.909 698 HG SER 92 HG SER 92 8.821 -9.716 -25.255 699 H CYS 93 HN CYS 93 10.941 -13.540 -28.284 700 HA CYS 93 HA CYS 93 10.362 -16.295 -27.493 701 1HB CYS 93 HB2 CYS 93 11.472 -15.557 -29.631 702 2HB CYS 93 HB1 CYS 93 12.872 -15.088 -28.667 703 HG CYS 93 HG CYS 93 11.823 -18.029 -28.522 704 H GLY 94 HN GLY 94 10.388 -14.864 -25.181 705 1HA GLY 94 HA2 GLY 94 12.303 -16.384 -23.661 706 2HA GLY 94 HA1 GLY 94 12.667 -14.660 -23.684 707 H TYR 95 HN TYR 95 9.620 -14.174 -23.934 708 HA TYR 95 HA TYR 95 8.534 -15.057 -21.388 709 1HB TYR 95 HB2 TYR 95 9.346 -12.163 -21.845 710 2HB TYR 95 HB1 TYR 95 8.201 -12.656 -20.600 711 HD1 TYR 95 HD1 TYR 95 8.921 -14.224 -18.764 712 HD2 TYR 95 HD2 TYR 95 11.755 -12.537 -21.532 713 HE1 TYR 95 HE1 TYR 95 10.773 -14.846 -17.245 714 HE2 TYR 95 HE2 TYR 95 13.604 -13.158 -20.005 715 HH TYR 95 HH TYR 95 12.958 -14.759 -16.884 716 H VAL 96 HN VAL 96 6.342 -13.954 -21.052 717 HA VAL 96 HA VAL 96 4.982 -13.076 -23.531 718 HB VAL 96 HB VAL 96 3.895 -15.288 -21.733 719 1HG1 VAL 96 HG11 VAL 96 3.016 -14.221 -24.444 720 2HG1 VAL 96 HG12 VAL 96 2.189 -13.939 -22.915 721 3HG1 VAL 96 HG13 VAL 96 2.267 -15.566 -23.585 722 1HG2 VAL 96 HG21 VAL 96 5.287 -15.468 -24.440 723 2HG2 VAL 96 HG22 VAL 96 4.394 -16.793 -23.692 724 3HG2 VAL 96 HG23 VAL 96 5.845 -16.168 -22.919 725 H TYR 97 HN TYR 97 4.175 -11.124 -22.948 726 HA TYR 97 HA TYR 97 3.486 -10.496 -20.170 727 1HB TYR 97 HB2 TYR 97 3.223 -8.782 -22.675 728 2HB TYR 97 HB1 TYR 97 3.165 -8.230 -21.000 729 HD1 TYR 97 HD1 TYR 97 5.349 -9.500 -23.699 730 HD2 TYR 97 HD2 TYR 97 5.225 -8.168 -19.608 731 HE1 TYR 97 HE1 TYR 97 7.814 -9.321 -23.683 732 HE2 TYR 97 HE2 TYR 97 7.699 -7.989 -19.601 733 HH TYR 97 HH TYR 97 9.593 -8.690 -20.731 734 H ILE 98 HN ILE 98 1.351 -10.450 -19.372 735 HA ILE 98 HA ILE 98 -0.878 -10.297 -21.284 736 HB ILE 98 HB ILE 98 -2.067 -12.204 -20.220 737 1HG1 ILE 98 HG12 ILE 98 0.575 -12.716 -18.778 738 2HG1 ILE 98 HG11 ILE 98 -0.878 -12.107 -17.998 739 1HG2 ILE 98 HG21 ILE 98 -0.619 -12.530 -22.273 740 2HG2 ILE 98 HG22 ILE 98 -0.810 -13.987 -21.305 741 3HG2 ILE 98 HG23 ILE 98 0.683 -13.059 -21.208 742 1HD1 ILE 98 HD11 ILE 98 -0.485 -14.818 -19.277 743 2HD1 ILE 98 HD12 ILE 98 -2.074 -14.207 -18.812 744 3HD1 ILE 98 HD13 ILE 98 -0.834 -14.459 -17.589 745 H ALA 99 HN ALA 99 -2.964 -9.894 -20.224 746 HA ALA 99 HA ALA 99 -2.950 -8.942 -17.455 747 1HB ALA 99 HB1 ALA 99 -2.075 -6.985 -18.738 748 2HB ALA 99 HB2 ALA 99 -3.659 -6.667 -18.029 749 3HB ALA 99 HB3 ALA 99 -3.522 -7.032 -19.748 750 H VAL 100 HN VAL 100 -4.916 -8.708 -16.576 751 HA VAL 100 HA VAL 100 -7.341 -9.481 -18.139 752 HB VAL 100 HB VAL 100 -7.998 -10.932 -16.234 753 1HG1 VAL 100 HG11 VAL 100 -6.428 -12.779 -16.755 754 2HG1 VAL 100 HG12 VAL 100 -5.330 -11.613 -17.503 755 3HG1 VAL 100 HG13 VAL 100 -6.922 -11.904 -18.200 756 1HG2 VAL 100 HG21 VAL 100 -5.158 -10.490 -15.258 757 2HG2 VAL 100 HG22 VAL 100 -6.319 -11.618 -14.580 758 3HG2 VAL 100 HG23 VAL 100 -6.615 -9.897 -14.455 759 H TYR 101 HN TYR 101 -9.128 -8.370 -17.652 760 HA TYR 101 HA TYR 101 -9.355 -6.870 -15.137 761 1HB TYR 101 HB2 TYR 101 -9.888 -4.743 -16.450 762 2HB TYR 101 HB1 TYR 101 -8.194 -5.228 -16.477 763 HD1 TYR 101 HD1 TYR 101 -11.324 -5.059 -18.470 764 HD2 TYR 101 HD2 TYR 101 -7.150 -6.107 -18.527 765 HE1 TYR 101 HE1 TYR 101 -11.380 -5.180 -20.944 766 HE2 TYR 101 HE2 TYR 101 -7.216 -6.223 -20.999 767 HH TYR 101 HH TYR 101 -8.554 -5.331 -22.847 768 HA PRO 102 HA PRO 102 -13.563 -8.164 -15.866 769 1HB PRO 102 HB2 PRO 102 -15.047 -6.299 -14.462 770 2HB PRO 102 HB1 PRO 102 -14.056 -7.536 -13.653 771 1HG PRO 102 HG2 PRO 102 -13.321 -4.678 -14.291 772 2HG PRO 102 HG1 PRO 102 -13.169 -5.544 -12.743 773 1HD PRO 102 HD2 PRO 102 -11.024 -5.295 -14.359 774 2HD PRO 102 HD1 PRO 102 -11.309 -6.830 -13.504 775 H THR 103 HN THR 103 -15.150 -7.866 -17.408 776 HA THR 103 HA THR 103 -14.782 -5.789 -19.380 777 HB THR 103 HB THR 103 -17.041 -7.817 -19.139 778 HG1 THR 103 HG1 THR 103 -14.458 -7.985 -20.278 779 1HG2 THR 103 HG21 THR 103 -15.830 -6.386 -21.528 780 2HG2 THR 103 HG22 THR 103 -17.396 -6.012 -20.806 781 3HG2 THR 103 HG23 THR 103 -17.133 -7.571 -21.588 782 H GLN 104 HN GLN 104 -15.976 -3.950 -19.664 783 HA GLN 104 HA GLN 104 -17.451 -2.884 -17.483 784 1HB GLN 104 HB2 GLN 104 -16.178 -1.552 -19.213 785 2HB GLN 104 HB1 GLN 104 -17.447 -1.930 -20.371 786 1HG GLN 104 HG2 GLN 104 -17.911 0.271 -19.442 787 2HG GLN 104 HG1 GLN 104 -19.114 -0.839 -18.800 788 1HE2 GLN 104 HE21 GLN 104 -15.727 0.014 -17.846 789 2HE2 GLN 104 HE22 GLN 104 -16.112 0.298 -16.217 790 H ARG 105 HN ARG 105 -18.405 -4.385 -20.546 791 HA ARG 105 HA ARG 105 -21.161 -3.856 -20.463 792 1HB ARG 105 HB2 ARG 105 -19.712 -6.273 -21.590 793 2HB ARG 105 HB1 ARG 105 -21.375 -5.823 -21.967 794 1HG ARG 105 HG2 ARG 105 -20.612 -3.691 -22.924 795 2HG ARG 105 HG1 ARG 105 -18.943 -4.075 -22.499 796 1HD ARG 105 HD2 ARG 105 -19.331 -4.593 -24.863 797 2HD ARG 105 HD1 ARG 105 -19.055 -6.086 -23.967 798 HE ARG 105 HE ARG 105 -21.839 -5.521 -24.064 799 1HH1 ARG 105 HH21 ARG 105 -19.189 -6.531 -26.070 800 2HH1 ARG 105 HH22 ARG 105 -20.186 -7.444 -27.154 801 1HH2 ARG 105 HH11 ARG 105 -23.135 -6.718 -25.483 802 2HH2 ARG 105 HH12 ARG 105 -22.415 -7.549 -26.822 Start of MODEL 7 1 1H MET 1 HT1 MET 1 7.569 8.137 -2.129 2 2H MET 1 HT2 MET 1 6.795 8.511 -0.664 3 3H MET 1 HT3 MET 1 5.878 8.068 -2.024 4 HA MET 1 HA MET 1 7.725 6.336 -0.479 5 1HB MET 1 HB2 MET 1 5.483 6.793 0.531 6 2HB MET 1 HB1 MET 1 4.718 6.189 -0.935 7 1HG MET 1 HG2 MET 1 5.739 3.974 -0.580 8 2HG MET 1 HG1 MET 1 6.579 4.578 0.849 9 1HE MET 1 HE1 MET 1 5.595 2.522 2.091 10 2HE MET 1 HE2 MET 1 4.663 2.017 0.683 11 3HE MET 1 HE3 MET 1 3.871 2.159 2.251 12 H SER 2 HN SER 2 8.946 5.919 -2.428 13 HA SER 2 HA SER 2 7.795 4.990 -4.853 14 1HB SER 2 HB2 SER 2 10.109 5.810 -4.725 15 2HB SER 2 HB1 SER 2 10.541 4.459 -3.682 16 HG SER 2 HG SER 2 9.662 4.392 -6.380 17 H ASN 3 HN ASN 3 7.524 2.887 -5.645 18 HA ASN 3 HA ASN 3 8.068 0.552 -4.013 19 1HB ASN 3 HB2 ASN 3 5.670 -0.114 -3.808 20 2HB ASN 3 HB1 ASN 3 6.041 1.347 -2.894 21 1HD2 ASN 3 HD21 ASN 3 4.787 3.179 -3.349 22 2HD2 ASN 3 HD22 ASN 3 3.749 3.321 -4.684 23 H THR 4 HN THR 4 8.265 -1.219 -5.285 24 HA THR 4 HA THR 4 8.364 -1.008 -8.054 25 HB THR 4 HB THR 4 9.606 -2.743 -6.925 26 HG1 THR 4 HG1 THR 4 7.864 -4.448 -8.131 27 1HG2 THR 4 HG21 THR 4 6.927 -3.966 -6.168 28 2HG2 THR 4 HG22 THR 4 8.001 -3.122 -5.055 29 3HG2 THR 4 HG23 THR 4 8.517 -4.629 -5.805 30 H THR 5 HN THR 5 6.909 -1.661 -9.730 31 HA THR 5 HA THR 5 4.210 -2.610 -8.935 32 HB THR 5 HB THR 5 4.734 -0.375 -10.939 33 HG1 THR 5 HG1 THR 5 5.055 0.309 -8.818 34 1HG2 THR 5 HG21 THR 5 2.168 -1.557 -9.817 35 2HG2 THR 5 HG22 THR 5 2.726 -1.677 -11.488 36 3HG2 THR 5 HG23 THR 5 2.257 -0.114 -10.824 37 H TRP 6 HN TRP 6 3.667 -4.393 -10.087 38 HA TRP 6 HA TRP 6 5.292 -5.154 -12.418 39 1HB TRP 6 HB2 TRP 6 3.140 -6.673 -10.894 40 2HB TRP 6 HB1 TRP 6 4.152 -7.340 -12.176 41 HD1 TRP 6 HD1 TRP 6 4.361 -6.020 -8.581 42 HE1 TRP 6 HE1 TRP 6 6.538 -6.890 -7.510 43 HE3 TRP 6 HE3 TRP 6 6.522 -8.233 -12.646 44 HZ2 TRP 6 HZ2 TRP 6 8.885 -8.333 -8.275 45 HZ3 TRP 6 HZ3 TRP 6 8.726 -9.348 -12.445 46 HH2 TRP 6 HH2 TRP 6 9.909 -9.401 -10.267 47 H GLY 7 HN GLY 7 4.455 -5.408 -14.481 48 1HA GLY 7 HA2 GLY 7 2.423 -5.794 -15.876 49 2HA GLY 7 HA1 GLY 7 1.650 -4.487 -14.990 50 H LEU 8 HN LEU 8 2.220 -4.797 -17.852 51 HA LEU 8 HA LEU 8 4.329 -3.050 -18.640 52 1HB LEU 8 HB2 LEU 8 1.844 -3.820 -20.205 53 2HB LEU 8 HB1 LEU 8 3.323 -3.135 -20.858 54 HG LEU 8 HG LEU 8 4.312 -5.376 -19.440 55 1HD1 LEU 8 HD11 LEU 8 2.934 -7.298 -20.054 56 2HD1 LEU 8 HD12 LEU 8 1.733 -6.242 -20.797 57 3HD1 LEU 8 HD13 LEU 8 1.992 -6.190 -19.056 58 1HD2 LEU 8 HD21 LEU 8 4.993 -4.700 -21.722 59 2HD2 LEU 8 HD22 LEU 8 3.470 -5.318 -22.360 60 3HD2 LEU 8 HD23 LEU 8 4.638 -6.427 -21.642 61 H GLN 9 HN GLN 9 4.078 -0.956 -19.656 62 HA GLN 9 HA GLN 9 2.218 0.805 -18.170 63 1HB GLN 9 HB2 GLN 9 4.606 1.394 -19.956 64 2HB GLN 9 HB1 GLN 9 3.614 2.633 -19.188 65 1HG GLN 9 HG2 GLN 9 5.569 2.255 -17.789 66 2HG GLN 9 HG1 GLN 9 4.162 1.616 -16.947 67 1HE2 GLN 9 HE21 GLN 9 6.776 0.515 -19.176 68 2HE2 GLN 9 HE22 GLN 9 6.913 -1.028 -18.483 69 H ARG 10 HN ARG 10 0.409 1.644 -19.141 70 HA ARG 10 HA ARG 10 0.371 2.124 -21.977 71 1HB ARG 10 HB2 ARG 10 -1.669 0.794 -22.450 72 2HB ARG 10 HB1 ARG 10 -0.355 -0.242 -21.908 73 1HG ARG 10 HG2 ARG 10 -2.616 0.768 -20.132 74 2HG ARG 10 HG1 ARG 10 -2.536 -0.834 -20.845 75 1HD ARG 10 HD2 ARG 10 -1.634 -1.322 -18.747 76 2HD ARG 10 HD1 ARG 10 -0.141 -0.866 -19.555 77 HE ARG 10 HE ARG 10 -1.070 1.510 -18.568 78 1HH1 ARG 10 HH21 ARG 10 -0.611 -1.629 -17.142 79 2HH1 ARG 10 HH22 ARG 10 -0.098 -1.001 -15.612 80 1HH2 ARG 10 HH11 ARG 10 -0.393 2.317 -16.569 81 2HH2 ARG 10 HH12 ARG 10 0.028 1.228 -15.290 82 H ASP 11 HN ASP 11 -2.372 2.546 -22.336 83 HA ASP 11 HA ASP 11 -2.713 5.175 -21.494 84 1HB ASP 11 HB2 ASP 11 -5.110 4.853 -22.078 85 2HB ASP 11 HB1 ASP 11 -4.023 4.187 -23.296 86 H ILE 12 HN ILE 12 -4.399 2.305 -20.022 87 HA ILE 12 HA ILE 12 -5.379 3.869 -17.815 88 HB ILE 12 HB ILE 12 -5.856 1.541 -16.804 89 1HG1 ILE 12 HG12 ILE 12 -4.967 0.577 -19.562 90 2HG1 ILE 12 HG11 ILE 12 -3.986 0.392 -18.116 91 1HG2 ILE 12 HG21 ILE 12 -6.901 2.130 -19.596 92 2HG2 ILE 12 HG22 ILE 12 -7.545 2.792 -18.093 93 3HG2 ILE 12 HG23 ILE 12 -7.672 1.068 -18.420 94 1HD1 ILE 12 HD11 ILE 12 -6.775 -0.750 -18.477 95 2HD1 ILE 12 HD12 ILE 12 -5.744 -0.961 -17.063 96 3HD1 ILE 12 HD13 ILE 12 -5.272 -1.658 -18.611 97 H THR 13 HN THR 13 -4.404 4.393 -15.922 98 HA THR 13 HA THR 13 -1.590 3.791 -15.598 99 HB THR 13 HB THR 13 -2.755 5.053 -13.211 100 HG1 THR 13 HG1 THR 13 -4.102 6.400 -14.039 101 1HG2 THR 13 HG21 THR 13 -1.061 6.221 -15.454 102 2HG2 THR 13 HG22 THR 13 -0.431 5.407 -14.022 103 3HG2 THR 13 HG23 THR 13 -1.305 6.930 -13.855 104 HA PRO 14 HA PRO 14 -2.941 1.071 -12.040 105 1HB PRO 14 HB2 PRO 14 -5.498 0.789 -11.191 106 2HB PRO 14 HB1 PRO 14 -4.635 2.322 -10.909 107 1HG PRO 14 HG2 PRO 14 -6.655 1.661 -13.045 108 2HG PRO 14 HG1 PRO 14 -6.507 3.138 -12.070 109 1HD PRO 14 HD2 PRO 14 -5.462 2.812 -14.688 110 2HD PRO 14 HD1 PRO 14 -4.949 4.076 -13.549 111 H ARG 15 HN ARG 15 -3.053 -1.207 -12.159 112 HA ARG 15 HA ARG 15 -5.018 -2.592 -13.659 113 1HB ARG 15 HB2 ARG 15 -3.508 -1.632 -15.503 114 2HB ARG 15 HB1 ARG 15 -2.219 -2.668 -14.906 115 1HG ARG 15 HG2 ARG 15 -3.635 -4.663 -15.364 116 2HG ARG 15 HG1 ARG 15 -4.921 -3.615 -15.950 117 1HD ARG 15 HD2 ARG 15 -3.696 -4.474 -17.862 118 2HD ARG 15 HD1 ARG 15 -3.287 -2.769 -17.694 119 HE ARG 15 HE ARG 15 -1.416 -4.298 -16.233 120 1HH1 ARG 15 HH21 ARG 15 -2.395 -3.663 -19.510 121 2HH1 ARG 15 HH22 ARG 15 -0.833 -4.002 -20.175 122 1HH2 ARG 15 HH11 ARG 15 0.612 -4.751 -17.114 123 2HH2 ARG 15 HH12 ARG 15 0.863 -4.625 -18.822 124 H LEU 16 HN LEU 16 -4.381 -5.026 -13.722 125 HA LEU 16 HA LEU 16 -2.669 -5.735 -11.386 126 1HB LEU 16 HB2 LEU 16 -5.075 -6.256 -11.126 127 2HB LEU 16 HB1 LEU 16 -5.047 -7.215 -12.587 128 HG LEU 16 HG LEU 16 -2.989 -8.000 -10.513 129 1HD1 LEU 16 HD11 LEU 16 -4.586 -9.218 -9.112 130 2HD1 LEU 16 HD12 LEU 16 -5.936 -8.594 -10.062 131 3HD1 LEU 16 HD13 LEU 16 -4.961 -7.496 -9.091 132 1HD2 LEU 16 HD21 LEU 16 -5.020 -9.649 -12.076 133 2HD2 LEU 16 HD22 LEU 16 -3.612 -10.259 -11.208 134 3HD2 LEU 16 HD23 LEU 16 -3.400 -9.277 -12.652 135 H GLY 17 HN GLY 17 -0.827 -6.482 -11.938 136 1HA GLY 17 HA2 GLY 17 -0.300 -7.607 -14.614 137 2HA GLY 17 HA1 GLY 17 0.899 -7.140 -13.411 138 H ALA 18 HN ALA 18 0.986 -9.569 -14.791 139 HA ALA 18 HA ALA 18 1.218 -11.418 -12.608 140 1HB ALA 18 HB1 ALA 18 -0.982 -11.937 -14.628 141 2HB ALA 18 HB2 ALA 18 -1.228 -11.523 -12.933 142 3HB ALA 18 HB3 ALA 18 -0.454 -13.045 -13.361 143 H ARG 19 HN ARG 19 3.332 -11.067 -13.775 144 HA ARG 19 HA ARG 19 3.607 -12.382 -16.362 145 1HB ARG 19 HB2 ARG 19 5.696 -11.245 -14.463 146 2HB ARG 19 HB1 ARG 19 6.011 -11.799 -16.109 147 1HG ARG 19 HG2 ARG 19 4.488 -10.088 -17.008 148 2HG ARG 19 HG1 ARG 19 4.094 -9.555 -15.374 149 1HD ARG 19 HD2 ARG 19 5.777 -8.062 -16.348 150 2HD ARG 19 HD1 ARG 19 6.479 -8.961 -15.003 151 HE ARG 19 HE ARG 19 6.929 -10.354 -17.444 152 1HH1 ARG 19 HH21 ARG 19 7.905 -7.509 -15.702 153 2HH1 ARG 19 HH22 ARG 19 9.495 -7.475 -16.388 154 1HH2 ARG 19 HH11 ARG 19 9.013 -10.301 -18.334 155 2HH2 ARG 19 HH12 ARG 19 10.120 -9.051 -17.873 156 H LEU 20 HN LEU 20 4.009 -14.463 -16.634 157 HA LEU 20 HA LEU 20 4.797 -16.188 -14.334 158 1HB LEU 20 HB2 LEU 20 3.922 -18.036 -15.856 159 2HB LEU 20 HB1 LEU 20 2.705 -16.927 -15.241 160 HG LEU 20 HG LEU 20 3.938 -16.142 -17.895 161 1HD1 LEU 20 HD11 LEU 20 2.015 -18.476 -17.659 162 2HD1 LEU 20 HD12 LEU 20 3.678 -18.535 -18.246 163 3HD1 LEU 20 HD13 LEU 20 2.454 -17.668 -19.169 164 1HD2 LEU 20 HD21 LEU 20 2.097 -14.826 -16.837 165 2HD2 LEU 20 HD22 LEU 20 1.052 -16.242 -16.917 166 3HD2 LEU 20 HD23 LEU 20 1.621 -15.482 -18.403 167 H VAL 21 HN VAL 21 6.341 -17.815 -14.680 168 HA VAL 21 HA VAL 21 8.388 -17.201 -16.767 169 HB VAL 21 HB VAL 21 9.964 -18.394 -15.253 170 1HG1 VAL 21 HG11 VAL 21 9.704 -15.946 -15.074 171 2HG1 VAL 21 HG12 VAL 21 10.036 -16.653 -13.492 172 3HG1 VAL 21 HG13 VAL 21 8.393 -16.164 -13.913 173 1HG2 VAL 21 HG21 VAL 21 9.200 -18.901 -12.912 174 2HG2 VAL 21 HG22 VAL 21 8.405 -19.910 -14.112 175 3HG2 VAL 21 HG23 VAL 21 7.547 -18.544 -13.404 176 H GLN 22 HN GLN 22 9.071 -18.806 -18.135 177 HA GLN 22 HA GLN 22 7.304 -21.107 -18.479 178 1HB GLN 22 HB2 GLN 22 8.139 -19.765 -20.401 179 2HB GLN 22 HB1 GLN 22 9.781 -20.289 -20.039 180 1HG GLN 22 HG2 GLN 22 9.135 -22.641 -20.416 181 2HG GLN 22 HG1 GLN 22 7.469 -22.148 -20.709 182 1HE2 GLN 22 HE21 GLN 22 6.986 -21.955 -22.896 183 2HE2 GLN 22 HE22 GLN 22 8.106 -21.570 -24.113 184 H GLU 23 HN GLU 23 7.648 -22.787 -17.106 185 HA GLU 23 HA GLU 23 10.102 -23.379 -15.819 186 1HB GLU 23 HB2 GLU 23 7.828 -24.074 -15.030 187 2HB GLU 23 HB1 GLU 23 7.759 -25.241 -16.343 188 1HG GLU 23 HG2 GLU 23 8.483 -26.412 -14.336 189 2HG GLU 23 HG1 GLU 23 9.865 -26.310 -15.415 190 H GLY 24 HN GLY 24 8.390 -24.947 -18.519 191 1HA GLY 24 HA2 GLY 24 10.492 -25.390 -20.249 192 2HA GLY 24 HA1 GLY 24 10.474 -26.795 -19.182 193 H ASN 25 HN ASN 25 8.416 -27.955 -18.964 194 HA ASN 25 HA ASN 25 6.940 -28.150 -21.545 195 1HB ASN 25 HB2 ASN 25 7.171 -30.065 -19.201 196 2HB ASN 25 HB1 ASN 25 6.273 -30.373 -20.688 197 1HD2 ASN 25 HD21 ASN 25 8.730 -31.764 -19.561 198 2HD2 ASN 25 HD22 ASN 25 9.875 -31.686 -20.811 199 H GLN 26 HN GLN 26 6.586 -26.440 -18.844 200 HA GLN 26 HA GLN 26 3.675 -26.324 -19.067 201 1HB GLN 26 HB2 GLN 26 3.295 -26.703 -16.648 202 2HB GLN 26 HB1 GLN 26 3.927 -28.143 -17.445 203 1HG GLN 26 HG2 GLN 26 6.210 -27.566 -16.640 204 2HG GLN 26 HG1 GLN 26 5.552 -26.165 -15.800 205 1HE2 GLN 26 HE21 GLN 26 5.389 -26.625 -13.610 206 2HE2 GLN 26 HE22 GLN 26 4.870 -28.106 -12.963 207 H LEU 27 HN LEU 27 2.787 -24.473 -18.003 208 HA LEU 27 HA LEU 27 4.750 -22.265 -17.659 209 1HB LEU 27 HB2 LEU 27 1.721 -22.143 -17.982 210 2HB LEU 27 HB1 LEU 27 2.836 -20.787 -17.975 211 HG LEU 27 HG LEU 27 3.967 -22.234 -20.033 212 1HD1 LEU 27 HD11 LEU 27 2.247 -24.029 -19.892 213 2HD1 LEU 27 HD12 LEU 27 2.205 -23.206 -21.446 214 3HD1 LEU 27 HD13 LEU 27 0.989 -22.839 -20.221 215 1HD2 LEU 27 HD21 LEU 27 2.682 -20.796 -21.621 216 2HD2 LEU 27 HD22 LEU 27 3.266 -19.887 -20.231 217 3HD2 LEU 27 HD23 LEU 27 1.576 -20.373 -20.312 218 H HIS 28 HN HIS 28 5.273 -21.663 -15.649 219 HA HIS 28 HA HIS 28 3.715 -22.594 -13.329 220 1HB HIS 28 HB2 HIS 28 6.215 -22.782 -13.419 221 2HB HIS 28 HB1 HIS 28 6.323 -21.025 -13.410 222 HD1 HIS 28 HD1 HIS 28 3.491 -21.721 -11.396 223 HD2 HIS 28 HD2 HIS 28 7.596 -22.040 -10.732 224 HE1 HIS 28 HE1 HIS 28 3.806 -21.793 -8.885 225 HE2 HIS 28 HE2 HIS 28 6.302 -21.987 -8.462 226 H TYR 29 HN TYR 29 2.137 -21.284 -12.497 227 HA TYR 29 HA TYR 29 2.272 -18.345 -12.964 228 1HB TYR 29 HB2 TYR 29 0.176 -19.638 -13.595 229 2HB TYR 29 HB1 TYR 29 -0.057 -19.993 -11.886 230 HD1 TYR 29 HD1 TYR 29 -0.467 -18.119 -10.248 231 HD2 TYR 29 HD2 TYR 29 -0.275 -17.399 -14.487 232 HE1 TYR 29 HE1 TYR 29 -1.510 -15.892 -9.923 233 HE2 TYR 29 HE2 TYR 29 -1.325 -15.184 -14.156 234 HH TYR 29 HH TYR 29 -2.227 -14.042 -10.896 235 H LEU 30 HN LEU 30 3.562 -17.525 -11.451 236 HA LEU 30 HA LEU 30 3.561 -18.408 -8.662 237 1HB LEU 30 HB2 LEU 30 5.080 -16.302 -10.216 238 2HB LEU 30 HB1 LEU 30 5.345 -16.597 -8.502 239 HG LEU 30 HG LEU 30 5.594 -18.865 -10.546 240 1HD1 LEU 30 HD11 LEU 30 7.148 -17.120 -11.276 241 2HD1 LEU 30 HD12 LEU 30 8.059 -18.437 -10.544 242 3HD1 LEU 30 HD13 LEU 30 7.775 -16.947 -9.639 243 1HD2 LEU 30 HD21 LEU 30 5.505 -19.572 -8.170 244 2HD2 LEU 30 HD22 LEU 30 6.771 -18.424 -7.761 245 3HD2 LEU 30 HD23 LEU 30 7.134 -19.807 -8.787 246 H ALA 31 HN ALA 31 1.881 -17.733 -7.449 247 HA ALA 31 HA ALA 31 0.293 -15.451 -7.856 248 1HB ALA 31 HB1 ALA 31 -0.396 -17.366 -6.483 249 2HB ALA 31 HB2 ALA 31 -0.506 -15.864 -5.566 250 3HB ALA 31 HB3 ALA 31 0.843 -16.970 -5.292 251 H ASP 32 HN ASP 32 3.343 -15.928 -6.232 252 HA ASP 32 HA ASP 32 3.356 -13.589 -4.616 253 1HB ASP 32 HB2 ASP 32 5.645 -15.248 -5.723 254 2HB ASP 32 HB1 ASP 32 5.810 -14.029 -4.460 255 H ARG 33 HN ARG 33 3.584 -13.975 -7.978 256 HA ARG 33 HA ARG 33 5.000 -11.367 -8.356 257 1HB ARG 33 HB2 ARG 33 4.587 -13.682 -10.281 258 2HB ARG 33 HB1 ARG 33 5.306 -12.131 -10.720 259 1HG ARG 33 HG2 ARG 33 7.074 -12.501 -8.978 260 2HG ARG 33 HG1 ARG 33 6.385 -14.093 -8.660 261 1HD ARG 33 HD2 ARG 33 6.786 -14.725 -11.023 262 2HD ARG 33 HD1 ARG 33 7.500 -13.143 -11.321 263 HE ARG 33 HE ARG 33 8.776 -15.385 -10.050 264 1HH1 ARG 33 HH21 ARG 33 8.598 -11.915 -10.108 265 2HH1 ARG 33 HH22 ARG 33 10.203 -11.692 -9.495 266 1HH2 ARG 33 HH11 ARG 33 10.874 -15.082 -9.249 267 2HH2 ARG 33 HH12 ARG 33 11.488 -13.480 -9.010 268 H ALA 34 HN ALA 34 2.413 -11.240 -7.454 269 HA ALA 34 HA ALA 34 1.220 -9.630 -9.490 270 1HB ALA 34 HB1 ALA 34 -0.252 -12.211 -8.818 271 2HB ALA 34 HB2 ALA 34 0.564 -11.885 -10.340 272 3HB ALA 34 HB3 ALA 34 -0.832 -10.920 -9.871 273 H SER 35 HN SER 35 0.196 -8.053 -8.448 274 HA SER 35 HA SER 35 -0.558 -8.354 -5.620 275 1HB SER 35 HB2 SER 35 -0.410 -5.922 -7.420 276 2HB SER 35 HB1 SER 35 -0.771 -5.898 -5.694 277 HG SER 35 HG SER 35 1.448 -7.362 -6.272 278 H ILE 36 HN ILE 36 -2.700 -7.233 -4.992 279 HA ILE 36 HA ILE 36 -4.848 -8.084 -6.822 280 HB ILE 36 HB ILE 36 -4.859 -8.851 -4.432 281 1HG1 ILE 36 HG12 ILE 36 -7.269 -8.226 -3.973 282 2HG1 ILE 36 HG11 ILE 36 -7.181 -7.065 -5.287 283 1HG2 ILE 36 HG21 ILE 36 -5.342 -7.286 -2.643 284 2HG2 ILE 36 HG22 ILE 36 -5.483 -5.946 -3.777 285 3HG2 ILE 36 HG23 ILE 36 -3.914 -6.706 -3.499 286 1HD1 ILE 36 HD11 ILE 36 -8.175 -9.462 -5.706 287 2HD1 ILE 36 HD12 ILE 36 -6.493 -9.959 -5.838 288 3HD1 ILE 36 HD13 ILE 36 -7.146 -8.732 -6.927 289 H THR 37 HN THR 37 -6.333 -6.631 -7.685 290 HA THR 37 HA THR 37 -5.949 -3.723 -7.104 291 HB THR 37 HB THR 37 -6.557 -4.914 -9.839 292 HG1 THR 37 HG1 THR 37 -4.128 -3.751 -9.511 293 1HG2 THR 37 HG21 THR 37 -5.916 -2.676 -10.624 294 2HG2 THR 37 HG22 THR 37 -5.612 -2.173 -8.963 295 3HG2 THR 37 HG23 THR 37 -7.251 -2.570 -9.478 296 H GLY 38 HN GLY 38 -7.839 -2.793 -6.439 297 1HA GLY 38 HA2 GLY 38 -10.093 -2.288 -6.385 298 2HA GLY 38 HA1 GLY 38 -10.396 -3.509 -7.617 299 H LYS 39 HN LYS 39 -11.920 -3.033 -5.224 300 HA LYS 39 HA LYS 39 -11.376 -5.306 -3.405 301 1HB LYS 39 HB2 LYS 39 -13.522 -3.166 -3.370 302 2HB LYS 39 HB1 LYS 39 -13.212 -4.339 -2.088 303 1HG LYS 39 HG2 LYS 39 -10.871 -3.412 -1.888 304 2HG LYS 39 HG1 LYS 39 -11.310 -2.164 -3.052 305 1HD LYS 39 HD2 LYS 39 -12.690 -2.617 -0.375 306 2HD LYS 39 HD1 LYS 39 -11.482 -1.377 -0.687 307 1HE LYS 39 HE2 LYS 39 -13.064 -0.527 -2.562 308 2HE LYS 39 HE1 LYS 39 -14.297 -1.543 -1.810 309 1HZ LYS 39 HZ1 LYS 39 -13.830 -0.402 0.301 310 2HZ LYS 39 HZ2 LYS 39 -14.427 0.637 -0.904 311 3HZ LYS 39 HZ3 LYS 39 -12.772 0.644 -0.515 312 H PHE 40 HN PHE 40 -12.314 -7.226 -3.649 313 HA PHE 40 HA PHE 40 -14.756 -7.536 -5.362 314 1HB PHE 40 HB2 PHE 40 -12.618 -9.597 -4.682 315 2HB PHE 40 HB1 PHE 40 -13.952 -9.774 -5.824 316 HD1 PHE 40 HD1 PHE 40 -14.018 -8.355 -7.926 317 HD2 PHE 40 HD2 PHE 40 -10.581 -8.428 -5.330 318 HE1 PHE 40 HE1 PHE 40 -12.637 -7.332 -9.709 319 HE2 PHE 40 HE2 PHE 40 -9.213 -7.416 -7.117 320 HZ PHE 40 HZ PHE 40 -10.237 -6.862 -9.307 321 H SER 41 HN SER 41 -16.526 -8.204 -4.383 322 HA SER 41 HA SER 41 -16.620 -8.618 -1.549 323 1HB SER 41 HB2 SER 41 -18.723 -9.113 -3.676 324 2HB SER 41 HB1 SER 41 -19.016 -9.082 -1.939 325 HG SER 41 HG SER 41 -19.389 -7.070 -3.158 326 H ASP 42 HN ASP 42 -17.618 -10.553 -0.574 327 HA ASP 42 HA ASP 42 -16.162 -12.932 -1.184 328 1HB ASP 42 HB2 ASP 42 -18.617 -12.491 0.545 329 2HB ASP 42 HB1 ASP 42 -17.640 -13.959 0.532 330 H ALA 43 HN ALA 43 -19.137 -11.659 -2.445 331 HA ALA 43 HA ALA 43 -19.985 -14.293 -3.475 332 1HB ALA 43 HB1 ALA 43 -21.957 -13.083 -4.315 333 2HB ALA 43 HB2 ALA 43 -21.248 -11.550 -3.803 334 3HB ALA 43 HB3 ALA 43 -21.710 -12.752 -2.599 335 H GLU 44 HN GLU 44 -18.001 -11.713 -4.389 336 HA GLU 44 HA GLU 44 -18.222 -12.247 -7.332 337 1HB GLU 44 HB2 GLU 44 -17.037 -9.925 -5.778 338 2HB GLU 44 HB1 GLU 44 -16.998 -10.090 -7.533 339 1HG GLU 44 HG2 GLU 44 -19.459 -10.106 -7.604 340 2HG GLU 44 HG1 GLU 44 -19.526 -9.979 -5.849 341 H CYS 45 HN CYS 45 -16.053 -12.503 -4.575 342 HA CYS 45 HA CYS 45 -13.663 -12.781 -6.129 343 1HB CYS 45 HB2 CYS 45 -14.270 -12.628 -3.357 344 2HB CYS 45 HB1 CYS 45 -13.527 -14.209 -3.541 345 HG CYS 45 HG CYS 45 -11.433 -12.854 -3.407 346 HA PRO 46 HA PRO 46 -14.555 -17.594 -5.537 347 1HB PRO 46 HB2 PRO 46 -17.573 -17.422 -5.764 348 2HB PRO 46 HB1 PRO 46 -16.586 -18.563 -4.817 349 1HG PRO 46 HG2 PRO 46 -17.806 -16.584 -3.568 350 2HG PRO 46 HG1 PRO 46 -16.113 -16.952 -3.159 351 1HD PRO 46 HD2 PRO 46 -17.156 -14.732 -4.955 352 2HD PRO 46 HD1 PRO 46 -15.919 -14.643 -3.681 353 H LYS 47 HN LYS 47 -16.955 -15.744 -7.423 354 HA LYS 47 HA LYS 47 -17.061 -17.413 -9.666 355 1HB LYS 47 HB2 LYS 47 -17.450 -14.405 -9.486 356 2HB LYS 47 HB1 LYS 47 -17.931 -15.397 -10.863 357 1HG LYS 47 HG2 LYS 47 -19.450 -16.696 -9.416 358 2HG LYS 47 HG1 LYS 47 -18.966 -15.724 -8.026 359 1HD LYS 47 HD2 LYS 47 -19.826 -13.690 -9.152 360 2HD LYS 47 HD1 LYS 47 -20.322 -14.668 -10.532 361 1HE LYS 47 HE2 LYS 47 -21.847 -15.956 -9.082 362 2HE LYS 47 HE1 LYS 47 -21.345 -14.993 -7.693 363 1HZ LYS 47 HZ1 LYS 47 -22.964 -14.202 -10.013 364 2HZ LYS 47 HZ2 LYS 47 -22.033 -13.026 -9.215 365 3HZ LYS 47 HZ3 LYS 47 -23.222 -13.892 -8.366 366 H LEU 48 HN LEU 48 -14.713 -14.918 -8.797 367 HA LEU 48 HA LEU 48 -13.538 -14.668 -11.339 368 1HB LEU 48 HB2 LEU 48 -13.202 -13.194 -9.220 369 2HB LEU 48 HB1 LEU 48 -12.013 -14.384 -8.720 370 HG LEU 48 HG LEU 48 -10.992 -13.954 -11.182 371 1HD1 LEU 48 HD11 LEU 48 -12.439 -11.333 -10.625 372 2HD1 LEU 48 HD12 LEU 48 -12.832 -12.450 -11.928 373 3HD1 LEU 48 HD13 LEU 48 -11.283 -11.617 -11.925 374 1HD2 LEU 48 HD21 LEU 48 -9.550 -12.152 -10.251 375 2HD2 LEU 48 HD22 LEU 48 -9.780 -13.462 -9.094 376 3HD2 LEU 48 HD23 LEU 48 -10.681 -11.958 -8.909 377 H ASP 49 HN ASP 49 -13.002 -16.926 -8.683 378 HA ASP 49 HA ASP 49 -10.652 -18.185 -9.715 379 1HB ASP 49 HB2 ASP 49 -12.731 -19.196 -7.753 380 2HB ASP 49 HB1 ASP 49 -11.168 -19.955 -8.047 381 H VAL 50 HN VAL 50 -13.873 -18.312 -10.771 382 HA VAL 50 HA VAL 50 -13.861 -21.065 -11.781 383 HB VAL 50 HB VAL 50 -15.782 -18.791 -12.344 384 1HG1 VAL 50 HG11 VAL 50 -15.997 -21.793 -12.751 385 2HG1 VAL 50 HG12 VAL 50 -15.935 -20.577 -14.027 386 3HG1 VAL 50 HG13 VAL 50 -17.328 -20.656 -12.953 387 1HG2 VAL 50 HG21 VAL 50 -17.182 -19.861 -10.611 388 2HG2 VAL 50 HG22 VAL 50 -15.637 -19.367 -9.925 389 3HG2 VAL 50 HG23 VAL 50 -15.922 -21.058 -10.322 390 H VAL 51 HN VAL 51 -13.724 -17.757 -13.197 391 HA VAL 51 HA VAL 51 -13.367 -18.706 -15.870 392 HB VAL 51 HB VAL 51 -12.884 -16.312 -16.407 393 1HG1 VAL 51 HG11 VAL 51 -15.115 -15.467 -15.716 394 2HG1 VAL 51 HG12 VAL 51 -15.253 -16.792 -14.561 395 3HG1 VAL 51 HG13 VAL 51 -15.209 -17.132 -16.291 396 1HG2 VAL 51 HG21 VAL 51 -13.180 -15.945 -13.405 397 2HG2 VAL 51 HG22 VAL 51 -13.059 -14.642 -14.585 398 3HG2 VAL 51 HG23 VAL 51 -11.689 -15.713 -14.314 399 H PHE 52 HN PHE 52 -11.167 -17.984 -13.248 400 HA PHE 52 HA PHE 52 -8.791 -17.492 -14.633 401 1HB PHE 52 HB2 PHE 52 -9.537 -18.267 -11.888 402 2HB PHE 52 HB1 PHE 52 -8.003 -18.987 -12.333 403 HD1 PHE 52 HD1 PHE 52 -6.075 -17.668 -11.743 404 HD2 PHE 52 HD2 PHE 52 -9.755 -15.663 -12.753 405 HE1 PHE 52 HE1 PHE 52 -5.015 -15.480 -11.286 406 HE2 PHE 52 HE2 PHE 52 -8.676 -13.479 -12.292 407 HZ PHE 52 HZ PHE 52 -6.312 -13.387 -11.557 408 HA PRO 53 HA PRO 53 -7.643 -22.165 -14.710 409 1HB PRO 53 HB2 PRO 53 -9.673 -24.037 -14.345 410 2HB PRO 53 HB1 PRO 53 -8.678 -23.414 -13.007 411 1HG PRO 53 HG2 PRO 53 -11.365 -22.421 -13.951 412 2HG PRO 53 HG1 PRO 53 -10.868 -22.857 -12.297 413 1HD PRO 53 HD2 PRO 53 -10.851 -20.290 -13.010 414 2HD PRO 53 HD1 PRO 53 -9.472 -20.915 -12.089 415 H HIS 54 HN HIS 54 -10.822 -21.116 -15.865 416 HA HIS 54 HA HIS 54 -10.971 -22.752 -18.178 417 1HB HIS 54 HB2 HIS 54 -12.080 -19.957 -17.759 418 2HB HIS 54 HB1 HIS 54 -12.572 -21.081 -19.023 419 HD1 HIS 54 HD1 HIS 54 -12.139 -23.415 -16.571 420 HD2 HIS 54 HD2 HIS 54 -14.915 -20.321 -16.893 421 HE1 HIS 54 HE1 HIS 54 -14.092 -24.049 -15.091 422 HE2 HIS 54 HE2 HIS 54 -15.793 -22.174 -15.276 423 H PHE 55 HN PHE 55 -9.585 -19.514 -17.641 424 HA PHE 55 HA PHE 55 -8.677 -19.089 -20.334 425 1HB PHE 55 HB2 PHE 55 -8.939 -17.274 -18.638 426 2HB PHE 55 HB1 PHE 55 -7.579 -17.942 -17.742 427 HD1 PHE 55 HD1 PHE 55 -5.309 -17.337 -18.395 428 HD2 PHE 55 HD2 PHE 55 -8.571 -16.620 -21.109 429 HE1 PHE 55 HE1 PHE 55 -3.788 -16.101 -19.910 430 HE2 PHE 55 HE2 PHE 55 -7.046 -15.382 -22.612 431 HZ PHE 55 HZ PHE 55 -4.655 -15.123 -22.016 432 H ILE 56 HN ILE 56 -7.115 -20.491 -17.433 433 HA ILE 56 HA ILE 56 -4.618 -20.884 -18.795 434 HB ILE 56 HB ILE 56 -5.591 -22.168 -16.213 435 1HG1 ILE 56 HG12 ILE 56 -3.872 -19.679 -16.639 436 2HG1 ILE 56 HG11 ILE 56 -5.580 -19.631 -16.214 437 1HG2 ILE 56 HG21 ILE 56 -3.661 -23.359 -17.187 438 2HG2 ILE 56 HG22 ILE 56 -3.129 -22.448 -15.785 439 3HG2 ILE 56 HG23 ILE 56 -2.805 -21.838 -17.406 440 1HD1 ILE 56 HD11 ILE 56 -5.060 -20.920 -14.136 441 2HD1 ILE 56 HD12 ILE 56 -4.263 -19.348 -14.199 442 3HD1 ILE 56 HD13 ILE 56 -3.346 -20.814 -14.541 443 H SER 57 HN SER 57 -7.469 -22.847 -18.207 444 HA SER 57 HA SER 57 -6.419 -25.330 -19.132 445 1HB SER 57 HB2 SER 57 -8.415 -25.215 -17.725 446 2HB SER 57 HB1 SER 57 -9.280 -24.355 -18.997 447 HG SER 57 HG SER 57 -8.112 -26.933 -19.254 448 H GLN 58 HN GLN 58 -8.204 -22.719 -20.850 449 HA GLN 58 HA GLN 58 -8.354 -24.280 -23.313 450 1HB GLN 58 HB2 GLN 58 -10.148 -22.655 -22.576 451 2HB GLN 58 HB1 GLN 58 -9.005 -21.342 -22.835 452 1HG GLN 58 HG2 GLN 58 -10.431 -21.521 -24.800 453 2HG GLN 58 HG1 GLN 58 -8.821 -22.052 -25.253 454 1HE2 GLN 58 HE21 GLN 58 -9.209 -23.674 -26.796 455 2HE2 GLN 58 HE22 GLN 58 -10.237 -25.001 -26.551 456 H ILE 59 HN ILE 59 -6.532 -21.399 -22.271 457 HA ILE 59 HA ILE 59 -5.204 -20.887 -24.690 458 HB ILE 59 HB ILE 59 -5.199 -19.479 -22.580 459 1HG1 ILE 59 HG12 ILE 59 -2.453 -20.033 -23.778 460 2HG1 ILE 59 HG11 ILE 59 -3.683 -19.019 -24.526 461 1HG2 ILE 59 HG21 ILE 59 -2.862 -21.235 -21.717 462 2HG2 ILE 59 HG22 ILE 59 -4.489 -21.443 -21.099 463 3HG2 ILE 59 HG23 ILE 59 -3.633 -19.933 -20.809 464 1HD1 ILE 59 HD11 ILE 59 -3.663 -17.579 -22.448 465 2HD1 ILE 59 HD12 ILE 59 -2.149 -17.567 -23.350 466 3HD1 ILE 59 HD13 ILE 59 -2.286 -18.523 -21.879 467 H GLU 60 HN GLU 60 -4.501 -23.277 -22.178 468 HA GLU 60 HA GLU 60 -1.953 -24.097 -22.961 469 1HB GLU 60 HB2 GLU 60 -3.168 -24.846 -20.908 470 2HB GLU 60 HB1 GLU 60 -4.196 -25.863 -21.914 471 1HG GLU 60 HG2 GLU 60 -2.224 -27.142 -22.667 472 2HG GLU 60 HG1 GLU 60 -1.171 -26.094 -21.722 473 H SER 61 HN SER 61 -5.130 -25.227 -24.120 474 HA SER 61 HA SER 61 -4.016 -27.071 -26.031 475 1HB SER 61 HB2 SER 61 -6.808 -25.872 -25.974 476 2HB SER 61 HB1 SER 61 -6.310 -27.300 -26.879 477 HG SER 61 HG SER 61 -6.980 -28.221 -25.081 478 H MET 62 HN MET 62 -4.954 -23.697 -26.104 479 HA MET 62 HA MET 62 -4.965 -23.289 -28.916 480 1HB MET 62 HB2 MET 62 -5.750 -21.646 -27.118 481 2HB MET 62 HB1 MET 62 -4.058 -21.264 -26.834 482 1HG MET 62 HG2 MET 62 -3.852 -20.682 -29.296 483 2HG MET 62 HG1 MET 62 -5.599 -20.865 -29.423 484 1HE MET 62 HE1 MET 62 -7.123 -18.114 -27.398 485 2HE MET 62 HE2 MET 62 -6.559 -19.447 -26.398 486 3HE MET 62 HE3 MET 62 -7.244 -19.775 -27.987 487 H LEU 63 HN LEU 63 -2.298 -23.578 -26.628 488 HA LEU 63 HA LEU 63 -0.254 -22.507 -28.266 489 1HB LEU 63 HB2 LEU 63 -0.122 -24.745 -26.218 490 2HB LEU 63 HB1 LEU 63 1.290 -23.954 -26.907 491 HG LEU 63 HG LEU 63 -0.873 -22.492 -25.347 492 1HD1 LEU 63 HD11 LEU 63 1.866 -23.415 -24.437 493 2HD1 LEU 63 HD12 LEU 63 0.325 -24.084 -23.899 494 3HD1 LEU 63 HD13 LEU 63 0.757 -22.424 -23.490 495 1HD2 LEU 63 HD21 LEU 63 0.179 -20.830 -26.648 496 2HD2 LEU 63 HD22 LEU 63 1.757 -21.609 -26.578 497 3HD2 LEU 63 HD23 LEU 63 1.119 -20.771 -25.167 498 H THR 64 HN THR 64 -1.638 -25.776 -28.071 499 HA THR 64 HA THR 64 0.070 -26.823 -30.227 500 HB THR 64 HB THR 64 -2.287 -28.149 -28.836 501 HG1 THR 64 HG1 THR 64 -0.726 -29.003 -27.459 502 1HG2 THR 64 HG21 THR 64 0.115 -29.272 -30.323 503 2HG2 THR 64 HG22 THR 64 -1.547 -29.262 -30.913 504 3HG2 THR 64 HG23 THR 64 -1.118 -30.228 -29.504 505 H THR 65 HN THR 65 -3.486 -26.433 -29.753 506 HA THR 65 HA THR 65 -4.097 -27.065 -32.454 507 HB THR 65 HB THR 65 -6.355 -26.225 -31.928 508 HG1 THR 65 HG1 THR 65 -6.391 -24.592 -30.630 509 1HG2 THR 65 HG21 THR 65 -5.085 -27.698 -29.598 510 2HG2 THR 65 HG22 THR 65 -5.701 -28.446 -31.072 511 3HG2 THR 65 HG23 THR 65 -6.809 -27.642 -29.963 512 H GLY 66 HN GLY 66 -3.565 -23.958 -30.823 513 1HA GLY 66 HA2 GLY 66 -4.223 -22.375 -33.176 514 2HA GLY 66 HA1 GLY 66 -3.526 -21.786 -31.669 515 H GLU 67 HN GLU 67 -1.745 -24.385 -32.513 516 HA GLU 67 HA GLU 67 0.473 -24.583 -33.057 517 1HB GLU 67 HB2 GLU 67 -0.756 -24.866 -35.212 518 2HB GLU 67 HB1 GLU 67 -0.492 -23.162 -35.564 519 1HG GLU 67 HG2 GLU 67 1.966 -23.537 -35.501 520 2HG GLU 67 HG1 GLU 67 1.692 -25.232 -35.129 521 H LEU 68 HN LEU 68 0.975 -22.887 -31.331 522 HA LEU 68 HA LEU 68 1.670 -20.206 -32.257 523 1HB LEU 68 HB2 LEU 68 1.641 -21.655 -29.611 524 2HB LEU 68 HB1 LEU 68 2.628 -20.209 -29.732 525 HG LEU 68 HG LEU 68 0.293 -19.794 -28.861 526 1HD1 LEU 68 HD11 LEU 68 0.456 -18.291 -31.476 527 2HD1 LEU 68 HD12 LEU 68 1.739 -18.067 -30.286 528 3HD1 LEU 68 HD13 LEU 68 0.070 -17.719 -29.859 529 1HD2 LEU 68 HD21 LEU 68 -0.732 -21.549 -30.473 530 2HD2 LEU 68 HD22 LEU 68 -0.702 -20.278 -31.689 531 3HD2 LEU 68 HD23 LEU 68 -1.640 -20.063 -30.214 532 H ASN 69 HN ASN 69 3.672 -19.354 -32.450 533 HA ASN 69 HA ASN 69 6.048 -21.156 -32.382 534 1HB ASN 69 HB2 ASN 69 5.196 -20.796 -34.711 535 2HB ASN 69 HB1 ASN 69 5.393 -19.061 -34.493 536 1HD2 ASN 69 HD21 ASN 69 7.549 -21.770 -33.501 537 2HD2 ASN 69 HD22 ASN 69 8.893 -21.214 -34.374 538 HA PRO 70 HA PRO 70 6.563 -17.337 -29.616 539 1HB PRO 70 HB2 PRO 70 8.701 -19.303 -28.736 540 2HB PRO 70 HB1 PRO 70 7.748 -18.173 -27.743 541 1HG PRO 70 HG2 PRO 70 7.062 -20.712 -27.771 542 2HG PRO 70 HG1 PRO 70 5.792 -19.477 -27.940 543 1HD PRO 70 HD2 PRO 70 7.016 -21.209 -30.107 544 2HD PRO 70 HD1 PRO 70 5.318 -20.715 -29.901 545 H ARG 71 HN ARG 71 7.290 -15.936 -31.210 546 HA ARG 71 HA ARG 71 10.071 -15.496 -31.362 547 1HB ARG 71 HB2 ARG 71 9.910 -17.394 -32.967 548 2HB ARG 71 HB1 ARG 71 8.746 -16.480 -33.920 549 1HG ARG 71 HG2 ARG 71 10.429 -14.754 -34.397 550 2HG ARG 71 HG1 ARG 71 11.594 -15.573 -33.356 551 1HD ARG 71 HD2 ARG 71 12.028 -16.128 -35.703 552 2HD ARG 71 HD1 ARG 71 11.485 -17.564 -34.838 553 HE ARG 71 HE ARG 71 9.261 -16.226 -36.012 554 1HH1 ARG 71 HH21 ARG 71 12.038 -18.159 -36.814 555 2HH1 ARG 71 HH22 ARG 71 11.319 -18.835 -38.237 556 1HH2 ARG 71 HH11 ARG 71 8.329 -17.120 -37.875 557 2HH2 ARG 71 HH12 ARG 71 9.225 -18.248 -38.836 558 H HIS 72 HN HIS 72 7.259 -15.032 -33.550 559 HA HIS 72 HA HIS 72 7.768 -12.120 -33.675 560 1HB HIS 72 HB2 HIS 72 7.346 -13.396 -35.782 561 2HB HIS 72 HB1 HIS 72 5.740 -13.815 -35.190 562 HD1 HIS 72 HD1 HIS 72 7.804 -10.664 -35.844 563 HD2 HIS 72 HD2 HIS 72 3.826 -11.913 -35.856 564 HE1 HIS 72 HE1 HIS 72 6.435 -8.687 -36.637 565 HE2 HIS 72 HE2 HIS 72 4.008 -9.432 -36.651 566 H ALA 73 HN ALA 73 6.427 -10.611 -32.800 567 HA ALA 73 HA ALA 73 4.655 -11.319 -30.690 568 1HB ALA 73 HB1 ALA 73 4.139 -8.921 -30.607 569 2HB ALA 73 HB2 ALA 73 4.889 -8.684 -32.187 570 3HB ALA 73 HB3 ALA 73 5.874 -9.157 -30.809 571 H GLN 74 HN GLN 74 2.433 -11.385 -30.586 572 HA GLN 74 HA GLN 74 0.742 -10.622 -32.816 573 1HB GLN 74 HB2 GLN 74 1.652 -12.845 -33.544 574 2HB GLN 74 HB1 GLN 74 0.960 -13.575 -32.099 575 1HG GLN 74 HG2 GLN 74 -1.305 -12.875 -32.827 576 2HG GLN 74 HG1 GLN 74 -0.611 -12.125 -34.262 577 1HE2 GLN 74 HE21 GLN 74 -1.271 -13.490 -35.956 578 2HE2 GLN 74 HE22 GLN 74 -1.034 -15.171 -35.973 579 H CYS 75 HN CYS 75 -0.611 -9.490 -31.542 580 HA CYS 75 HA CYS 75 -1.440 -10.315 -28.913 581 1HB CYS 75 HB2 CYS 75 -2.663 -8.195 -30.719 582 2HB CYS 75 HB1 CYS 75 -2.832 -8.318 -28.967 583 HG CYS 75 HG CYS 75 -0.899 -6.605 -29.546 584 H VAL 76 HN VAL 76 -3.331 -11.319 -28.279 585 HA VAL 76 HA VAL 76 -5.330 -12.018 -30.362 586 HB VAL 76 HB VAL 76 -4.263 -13.959 -28.271 587 1HG1 VAL 76 HG11 VAL 76 -6.601 -14.413 -28.893 588 2HG1 VAL 76 HG12 VAL 76 -5.551 -15.634 -29.601 589 3HG1 VAL 76 HG13 VAL 76 -6.181 -14.327 -30.603 590 1HG2 VAL 76 HG21 VAL 76 -2.563 -13.491 -29.990 591 2HG2 VAL 76 HG22 VAL 76 -3.743 -13.797 -31.264 592 3HG2 VAL 76 HG23 VAL 76 -3.219 -15.112 -30.213 593 H THR 77 HN THR 77 -7.479 -11.940 -29.651 594 HA THR 77 HA THR 77 -7.974 -11.205 -26.794 595 HB THR 77 HB THR 77 -9.947 -9.978 -27.650 596 HG1 THR 77 HG1 THR 77 -9.402 -9.738 -30.174 597 1HG2 THR 77 HG21 THR 77 -7.806 -8.784 -27.368 598 2HG2 THR 77 HG22 THR 77 -8.711 -8.139 -28.740 599 3HG2 THR 77 HG23 THR 77 -7.344 -9.219 -29.016 600 H LEU 78 HN LEU 78 -8.863 -12.868 -25.728 601 HA LEU 78 HA LEU 78 -10.611 -14.831 -27.118 602 1HB LEU 78 HB2 LEU 78 -8.660 -15.699 -25.877 603 2HB LEU 78 HB1 LEU 78 -9.249 -14.952 -24.404 604 HG LEU 78 HG LEU 78 -11.299 -16.717 -25.733 605 1HD1 LEU 78 HD11 LEU 78 -8.807 -17.989 -24.554 606 2HD1 LEU 78 HD12 LEU 78 -9.288 -18.044 -26.250 607 3HD1 LEU 78 HD13 LEU 78 -10.277 -18.842 -25.030 608 1HD2 LEU 78 HD21 LEU 78 -11.648 -17.501 -23.439 609 2HD2 LEU 78 HD22 LEU 78 -11.548 -15.742 -23.438 610 3HD2 LEU 78 HD23 LEU 78 -10.173 -16.699 -22.908 611 H TYR 79 HN TYR 79 -12.752 -15.195 -26.415 612 HA TYR 79 HA TYR 79 -13.752 -13.673 -24.096 613 1HB TYR 79 HB2 TYR 79 -15.667 -12.812 -25.431 614 2HB TYR 79 HB1 TYR 79 -14.124 -12.184 -26.005 615 HD1 TYR 79 HD1 TYR 79 -16.947 -14.435 -26.787 616 HD2 TYR 79 HD2 TYR 79 -13.118 -13.002 -28.130 617 HE1 TYR 79 HE1 TYR 79 -17.367 -15.401 -29.030 618 HE2 TYR 79 HE2 TYR 79 -13.547 -13.966 -30.371 619 HH TYR 79 HH TYR 79 -15.168 -14.823 -31.725 620 H HIS 80 HN HIS 80 -15.072 -14.954 -22.907 621 HA HIS 80 HA HIS 80 -16.890 -16.912 -24.095 622 1HB HIS 80 HB2 HIS 80 -14.647 -18.087 -24.053 623 2HB HIS 80 HB1 HIS 80 -14.640 -17.898 -22.301 624 HD1 HIS 80 HD1 HIS 80 -15.775 -19.728 -21.013 625 HD2 HIS 80 HD2 HIS 80 -17.070 -19.606 -24.974 626 HE1 HIS 80 HE1 HIS 80 -17.342 -21.696 -21.317 627 HE2 HIS 80 HE2 HIS 80 -18.140 -21.634 -23.727 628 H ASN 81 HN ASN 81 -16.419 -14.595 -21.965 629 HA ASN 81 HA ASN 81 -18.698 -15.349 -20.402 630 1HB ASN 81 HB2 ASN 81 -16.918 -16.685 -19.265 631 2HB ASN 81 HB1 ASN 81 -16.037 -15.197 -18.945 632 1HD2 ASN 81 HD21 ASN 81 -19.412 -14.634 -18.765 633 2HD2 ASN 81 HD22 ASN 81 -19.574 -14.753 -17.079 634 H GLY 82 HN GLY 82 -17.866 -13.216 -22.109 635 1HA GLY 82 HA2 GLY 82 -18.326 -10.958 -22.210 636 2HA GLY 82 HA1 GLY 82 -18.698 -10.973 -20.490 637 H PHE 83 HN PHE 83 -16.028 -12.238 -19.891 638 HA PHE 83 HA PHE 83 -14.488 -9.760 -19.709 639 1HB PHE 83 HB2 PHE 83 -13.775 -12.571 -18.784 640 2HB PHE 83 HB1 PHE 83 -12.994 -11.066 -18.302 641 HD1 PHE 83 HD1 PHE 83 -15.519 -13.407 -17.339 642 HD2 PHE 83 HD2 PHE 83 -14.625 -9.192 -17.343 643 HE1 PHE 83 HE1 PHE 83 -17.162 -13.050 -15.528 644 HE2 PHE 83 HE2 PHE 83 -16.270 -8.851 -15.530 645 HZ PHE 83 HZ PHE 83 -17.540 -10.776 -14.622 646 H THR 84 HN THR 84 -12.479 -9.411 -20.675 647 HA THR 84 HA THR 84 -11.560 -11.365 -22.735 648 HB THR 84 HB THR 84 -11.162 -9.523 -24.281 649 HG1 THR 84 HG1 THR 84 -10.755 -7.887 -22.816 650 1HG2 THR 84 HG21 THR 84 -13.973 -9.351 -23.147 651 2HG2 THR 84 HG22 THR 84 -13.419 -10.577 -24.286 652 3HG2 THR 84 HG23 THR 84 -13.480 -8.884 -24.774 653 H CYS 85 HN CYS 85 -9.662 -12.034 -21.893 654 HA CYS 85 HA CYS 85 -7.946 -10.231 -20.379 655 1HB CYS 85 HB2 CYS 85 -7.701 -13.148 -21.194 656 2HB CYS 85 HB1 CYS 85 -6.525 -12.306 -20.178 657 HG CYS 85 HG CYS 85 -9.389 -13.118 -19.317 658 H GLU 86 HN GLU 86 -6.086 -9.201 -21.336 659 HA GLU 86 HA GLU 86 -5.673 -9.630 -24.206 660 1HB GLU 86 HB2 GLU 86 -5.853 -7.321 -23.292 661 2HB GLU 86 HB1 GLU 86 -4.418 -7.603 -22.310 662 1HG GLU 86 HG2 GLU 86 -3.080 -7.978 -24.365 663 2HG GLU 86 HG1 GLU 86 -4.521 -7.726 -25.348 664 H ALA 87 HN ALA 87 -3.865 -10.615 -25.023 665 HA ALA 87 HA ALA 87 -1.598 -11.307 -23.224 666 1HB ALA 87 HB1 ALA 87 -3.029 -13.220 -25.096 667 2HB ALA 87 HB2 ALA 87 -3.078 -13.268 -23.335 668 3HB ALA 87 HB3 ALA 87 -1.563 -13.582 -24.182 669 H ASP 88 HN ASP 88 0.390 -11.096 -24.193 670 HA ASP 88 HA ASP 88 0.585 -10.975 -27.118 671 1HB ASP 88 HB2 ASP 88 1.703 -8.746 -25.356 672 2HB ASP 88 HB1 ASP 88 1.690 -8.807 -27.121 673 H THR 89 HN THR 89 2.601 -11.738 -27.833 674 HA THR 89 HA THR 89 4.336 -12.934 -25.783 675 HB THR 89 HB THR 89 4.430 -13.145 -28.819 676 HG1 THR 89 HG1 THR 89 3.342 -14.936 -26.917 677 1HG2 THR 89 HG21 THR 89 5.739 -14.759 -26.598 678 2HG2 THR 89 HG22 THR 89 6.551 -13.852 -27.876 679 3HG2 THR 89 HG23 THR 89 5.633 -15.300 -28.270 680 H LEU 90 HN LEU 90 4.192 -10.077 -27.613 681 HA LEU 90 HA LEU 90 5.626 -8.374 -28.054 682 1HB LEU 90 HB2 LEU 90 6.815 -9.586 -25.547 683 2HB LEU 90 HB1 LEU 90 7.721 -8.320 -26.363 684 HG LEU 90 HG LEU 90 5.790 -6.795 -26.180 685 1HD1 LEU 90 HD11 LEU 90 3.845 -7.492 -24.723 686 2HD1 LEU 90 HD12 LEU 90 4.466 -9.141 -24.773 687 3HD1 LEU 90 HD13 LEU 90 3.935 -8.354 -26.255 688 1HD2 LEU 90 HD21 LEU 90 5.879 -6.463 -23.749 689 2HD2 LEU 90 HD22 LEU 90 7.476 -6.900 -24.346 690 3HD2 LEU 90 HD23 LEU 90 6.483 -8.103 -23.523 691 H GLY 91 HN GLY 91 6.171 -11.345 -28.939 692 1HA GLY 91 HA2 GLY 91 7.457 -12.210 -30.641 693 2HA GLY 91 HA1 GLY 91 8.377 -10.712 -30.711 694 H SER 92 HN SER 92 7.889 -12.398 -27.711 695 HA SER 92 HA SER 92 10.672 -12.581 -27.157 696 1HB SER 92 HB2 SER 92 9.977 -13.715 -25.117 697 2HB SER 92 HB1 SER 92 8.847 -12.402 -25.441 698 HG SER 92 HG SER 92 8.266 -14.905 -25.079 699 H CYS 93 HN CYS 93 10.197 -15.433 -25.985 700 HA CYS 93 HA CYS 93 9.964 -17.214 -28.218 701 1HB CYS 93 HB2 CYS 93 12.187 -16.267 -28.746 702 2HB CYS 93 HB1 CYS 93 12.759 -16.720 -27.141 703 HG CYS 93 HG CYS 93 13.292 -18.918 -28.146 704 H GLY 94 HN GLY 94 11.236 -16.654 -24.977 705 1HA GLY 94 HA2 GLY 94 10.150 -19.280 -24.068 706 2HA GLY 94 HA1 GLY 94 11.758 -18.735 -23.596 707 H TYR 95 HN TYR 95 8.931 -16.666 -23.958 708 HA TYR 95 HA TYR 95 8.349 -16.539 -21.113 709 1HB TYR 95 HB2 TYR 95 9.507 -14.105 -22.520 710 2HB TYR 95 HB1 TYR 95 8.816 -14.124 -20.899 711 HD1 TYR 95 HD1 TYR 95 11.800 -14.879 -22.886 712 HD2 TYR 95 HD2 TYR 95 9.882 -15.544 -19.086 713 HE1 TYR 95 HE1 TYR 95 13.954 -15.628 -21.922 714 HE2 TYR 95 HE2 TYR 95 12.043 -16.287 -18.133 715 HH TYR 95 HH TYR 95 14.744 -15.672 -18.997 716 H VAL 96 HN VAL 96 6.355 -15.632 -20.722 717 HA VAL 96 HA VAL 96 4.782 -14.527 -22.991 718 HB VAL 96 HB VAL 96 3.812 -16.643 -21.023 719 1HG1 VAL 96 HG11 VAL 96 1.826 -16.705 -22.532 720 2HG1 VAL 96 HG12 VAL 96 2.507 -15.367 -23.455 721 3HG1 VAL 96 HG13 VAL 96 2.026 -15.126 -21.778 722 1HG2 VAL 96 HG21 VAL 96 5.408 -17.606 -22.632 723 2HG2 VAL 96 HG22 VAL 96 4.531 -16.868 -23.971 724 3HG2 VAL 96 HG23 VAL 96 3.772 -18.140 -23.013 725 H TYR 97 HN TYR 97 3.592 -12.771 -22.402 726 HA TYR 97 HA TYR 97 3.357 -12.080 -19.497 727 1HB TYR 97 HB2 TYR 97 3.611 -10.045 -21.751 728 2HB TYR 97 HB1 TYR 97 3.786 -9.788 -20.016 729 HD1 TYR 97 HD1 TYR 97 5.642 -10.368 -23.018 730 HD2 TYR 97 HD2 TYR 97 5.619 -11.289 -18.813 731 HE1 TYR 97 HE1 TYR 97 8.054 -10.891 -23.117 732 HE2 TYR 97 HE2 TYR 97 8.036 -11.807 -18.925 733 HH TYR 97 HH TYR 97 10.015 -11.018 -20.572 734 H ILE 98 HN ILE 98 1.295 -11.636 -18.820 735 HA ILE 98 HA ILE 98 -0.783 -10.935 -20.807 736 HB ILE 98 HB ILE 98 -2.368 -12.559 -19.798 737 1HG1 ILE 98 HG12 ILE 98 0.062 -13.607 -18.277 738 2HG1 ILE 98 HG11 ILE 98 -1.250 -12.705 -17.539 739 1HG2 ILE 98 HG21 ILE 98 -0.992 -13.182 -21.802 740 2HG2 ILE 98 HG22 ILE 98 -1.423 -14.577 -20.825 741 3HG2 ILE 98 HG23 ILE 98 0.199 -13.901 -20.725 742 1HD1 ILE 98 HD11 ILE 98 -1.457 -15.419 -18.867 743 2HD1 ILE 98 HD12 ILE 98 -2.847 -14.479 -18.320 744 3HD1 ILE 98 HD13 ILE 98 -1.654 -15.050 -17.155 745 H ALA 99 HN ALA 99 -2.707 -10.039 -19.853 746 HA ALA 99 HA ALA 99 -2.573 -9.131 -17.063 747 1HB ALA 99 HB1 ALA 99 -2.819 -6.765 -17.670 748 2HB ALA 99 HB2 ALA 99 -2.708 -7.169 -19.384 749 3HB ALA 99 HB3 ALA 99 -1.311 -7.396 -18.332 750 H VAL 100 HN VAL 100 -4.435 -9.324 -16.214 751 HA VAL 100 HA VAL 100 -6.870 -9.664 -17.859 752 HB VAL 100 HB VAL 100 -6.301 -11.388 -16.181 753 1HG1 VAL 100 HG11 VAL 100 -6.839 -9.269 -14.061 754 2HG1 VAL 100 HG12 VAL 100 -5.223 -9.799 -14.524 755 3HG1 VAL 100 HG13 VAL 100 -6.354 -10.941 -13.802 756 1HG2 VAL 100 HG21 VAL 100 -8.681 -10.938 -16.786 757 2HG2 VAL 100 HG22 VAL 100 -8.798 -9.811 -15.435 758 3HG2 VAL 100 HG23 VAL 100 -8.514 -11.522 -15.132 759 H TYR 101 HN TYR 101 -8.407 -8.193 -17.944 760 HA TYR 101 HA TYR 101 -8.544 -5.981 -15.974 761 1HB TYR 101 HB2 TYR 101 -7.353 -5.222 -18.018 762 2HB TYR 101 HB1 TYR 101 -8.750 -5.689 -18.991 763 HD1 TYR 101 HD1 TYR 101 -7.549 -3.388 -16.322 764 HD2 TYR 101 HD2 TYR 101 -10.797 -4.325 -18.987 765 HE1 TYR 101 HE1 TYR 101 -8.655 -1.258 -15.726 766 HE2 TYR 101 HE2 TYR 101 -11.895 -2.185 -18.390 767 HH TYR 101 HH TYR 101 -11.108 -0.404 -15.727 768 HA PRO 102 HA PRO 102 -12.712 -7.876 -16.587 769 1HB PRO 102 HB2 PRO 102 -13.978 -7.008 -14.320 770 2HB PRO 102 HB1 PRO 102 -12.795 -8.338 -14.284 771 1HG PRO 102 HG2 PRO 102 -12.358 -5.422 -13.651 772 2HG PRO 102 HG1 PRO 102 -11.867 -6.850 -12.712 773 1HD PRO 102 HD2 PRO 102 -10.118 -5.571 -14.358 774 2HD PRO 102 HD1 PRO 102 -10.049 -7.341 -14.158 775 H THR 103 HN THR 103 -14.524 -7.090 -17.569 776 HA THR 103 HA THR 103 -14.608 -4.228 -18.263 777 HB THR 103 HB THR 103 -16.248 -4.940 -19.931 778 HG1 THR 103 HG1 THR 103 -17.352 -6.646 -19.491 779 1HG2 THR 103 HG21 THR 103 -14.818 -6.449 -21.249 780 2HG2 THR 103 HG22 THR 103 -13.879 -6.832 -19.807 781 3HG2 THR 103 HG23 THR 103 -13.847 -5.198 -20.472 782 H GLN 104 HN GLN 104 -16.387 -2.904 -17.836 783 HA GLN 104 HA GLN 104 -17.821 -3.425 -15.415 784 1HB GLN 104 HB2 GLN 104 -17.166 -1.151 -16.219 785 2HB GLN 104 HB1 GLN 104 -18.353 -1.292 -17.514 786 1HG GLN 104 HG2 GLN 104 -20.164 -1.521 -15.842 787 2HG GLN 104 HG1 GLN 104 -18.979 -1.426 -14.542 788 1HE2 GLN 104 HE21 GLN 104 -21.132 0.467 -14.798 789 2HE2 GLN 104 HE22 GLN 104 -20.458 1.982 -15.159 790 H ARG 105 HN ARG 105 -18.795 -5.493 -16.011 791 HA ARG 105 HA ARG 105 -20.529 -6.839 -16.691 792 1HB ARG 105 HB2 ARG 105 -22.019 -4.197 -16.634 793 2HB ARG 105 HB1 ARG 105 -22.768 -5.793 -16.641 794 1HG ARG 105 HG2 ARG 105 -21.662 -6.342 -14.509 795 2HG ARG 105 HG1 ARG 105 -20.871 -4.765 -14.500 796 1HD ARG 105 HD2 ARG 105 -22.841 -4.676 -13.060 797 2HD ARG 105 HD1 ARG 105 -23.128 -3.677 -14.482 798 HE ARG 105 HE ARG 105 -24.081 -6.302 -14.969 799 1HH1 ARG 105 HH21 ARG 105 -24.768 -3.483 -13.053 800 2HH1 ARG 105 HH22 ARG 105 -26.473 -3.786 -12.989 801 1HH2 ARG 105 HH11 ARG 105 -26.306 -6.686 -14.880 802 2HH2 ARG 105 HH12 ARG 105 -27.341 -5.594 -14.021 Start of MODEL 8 1 1H MET 1 HT1 MET 1 12.938 4.024 -9.190 2 2H MET 1 HT2 MET 1 11.779 4.926 -8.336 3 3H MET 1 HT3 MET 1 11.286 3.760 -9.469 4 HA MET 1 HA MET 1 12.039 1.980 -8.128 5 1HB MET 1 HB2 MET 1 13.109 2.508 -5.885 6 2HB MET 1 HB1 MET 1 14.103 2.936 -7.273 7 1HG MET 1 HG2 MET 1 13.412 5.279 -7.102 8 2HG MET 1 HG1 MET 1 12.328 4.896 -5.770 9 1HE MET 1 HE1 MET 1 14.473 4.392 -2.731 10 2HE MET 1 HE2 MET 1 13.291 3.457 -3.637 11 3HE MET 1 HE3 MET 1 13.012 5.170 -3.350 12 H SER 2 HN SER 2 10.557 5.029 -7.312 13 HA SER 2 HA SER 2 8.961 4.204 -5.118 14 1HB SER 2 HB2 SER 2 8.422 6.365 -7.174 15 2HB SER 2 HB1 SER 2 7.616 6.203 -5.615 16 HG SER 2 HG SER 2 10.105 7.171 -6.238 17 H ASN 3 HN ASN 3 6.657 3.826 -5.101 18 HA ASN 3 HA ASN 3 4.823 2.584 -5.711 19 1HB ASN 3 HB2 ASN 3 5.431 3.765 -8.438 20 2HB ASN 3 HB1 ASN 3 3.901 3.046 -7.943 21 1HD2 ASN 3 HD21 ASN 3 4.726 5.949 -8.681 22 2HD2 ASN 3 HD22 ASN 3 4.104 6.870 -7.397 23 H THR 4 HN THR 4 6.971 0.978 -5.446 24 HA THR 4 HA THR 4 7.840 -0.490 -7.641 25 HB THR 4 HB THR 4 7.371 -1.563 -4.835 26 HG1 THR 4 HG1 THR 4 9.002 -0.402 -4.264 27 1HG2 THR 4 HG21 THR 4 9.317 -3.015 -5.406 28 2HG2 THR 4 HG22 THR 4 9.299 -2.372 -7.045 29 3HG2 THR 4 HG23 THR 4 7.939 -3.326 -6.457 30 H THR 5 HN THR 5 6.809 -1.988 -8.951 31 HA THR 5 HA THR 5 4.347 -3.328 -7.965 32 HB THR 5 HB THR 5 4.691 -2.107 -10.737 33 HG1 THR 5 HG1 THR 5 3.583 -0.455 -10.010 34 1HG2 THR 5 HG21 THR 5 2.334 -3.474 -9.387 35 2HG2 THR 5 HG22 THR 5 3.238 -4.085 -10.773 36 3HG2 THR 5 HG23 THR 5 2.256 -2.632 -10.933 37 H TRP 6 HN TRP 6 4.467 -5.464 -8.202 38 HA TRP 6 HA TRP 6 6.644 -6.906 -9.073 39 1HB TRP 6 HB2 TRP 6 3.737 -7.766 -9.238 40 2HB TRP 6 HB1 TRP 6 5.142 -8.831 -9.224 41 HD1 TRP 6 HD1 TRP 6 6.748 -8.627 -6.967 42 HE1 TRP 6 HE1 TRP 6 6.040 -8.277 -4.513 43 HE3 TRP 6 HE3 TRP 6 2.037 -6.778 -7.662 44 HZ2 TRP 6 HZ2 TRP 6 3.777 -7.335 -3.040 45 HZ3 TRP 6 HZ3 TRP 6 0.630 -6.162 -5.717 46 HH2 TRP 6 HH2 TRP 6 1.493 -6.438 -3.410 47 H GLY 7 HN GLY 7 3.613 -6.690 -10.963 48 1HA GLY 7 HA2 GLY 7 4.583 -7.697 -13.354 49 2HA GLY 7 HA1 GLY 7 3.223 -6.599 -13.213 50 H LEU 8 HN LEU 8 4.356 -6.140 -15.415 51 HA LEU 8 HA LEU 8 6.729 -4.589 -15.589 52 1HB LEU 8 HB2 LEU 8 4.231 -4.348 -17.306 53 2HB LEU 8 HB1 LEU 8 5.875 -3.907 -17.761 54 HG LEU 8 HG LEU 8 4.898 -6.723 -17.148 55 1HD1 LEU 8 HD11 LEU 8 4.047 -5.832 -19.288 56 2HD1 LEU 8 HD12 LEU 8 5.237 -7.100 -19.569 57 3HD1 LEU 8 HD13 LEU 8 5.692 -5.409 -19.769 58 1HD2 LEU 8 HD21 LEU 8 7.212 -6.705 -16.554 59 2HD2 LEU 8 HD22 LEU 8 7.642 -5.628 -17.882 60 3HD2 LEU 8 HD23 LEU 8 7.213 -7.304 -18.208 61 H GLN 9 HN GLN 9 7.165 -2.513 -15.546 62 HA GLN 9 HA GLN 9 5.820 -0.908 -13.616 63 1HB GLN 9 HB2 GLN 9 7.884 -0.113 -15.703 64 2HB GLN 9 HB1 GLN 9 7.351 0.921 -14.379 65 1HG GLN 9 HG2 GLN 9 9.421 -0.148 -13.694 66 2HG GLN 9 HG1 GLN 9 8.112 -0.855 -12.754 67 1HE2 GLN 9 HE21 GLN 9 9.100 -2.927 -12.426 68 2HE2 GLN 9 HE22 GLN 9 9.428 -3.999 -13.700 69 H ARG 10 HN ARG 10 3.983 0.239 -13.850 70 HA ARG 10 HA ARG 10 3.459 1.670 -16.324 71 1HB ARG 10 HB2 ARG 10 1.087 0.687 -16.440 72 2HB ARG 10 HB1 ARG 10 2.358 -0.479 -16.802 73 1HG ARG 10 HG2 ARG 10 2.283 -1.304 -14.461 74 2HG ARG 10 HG1 ARG 10 1.013 -0.147 -14.091 75 1HD ARG 10 HD2 ARG 10 -0.468 -1.236 -15.716 76 2HD ARG 10 HD1 ARG 10 0.807 -2.379 -16.134 77 HE ARG 10 HE ARG 10 -0.901 -2.482 -13.808 78 1HH1 ARG 10 HH21 ARG 10 2.257 -3.263 -15.023 79 2HH1 ARG 10 HH22 ARG 10 2.531 -4.532 -13.877 80 1HH2 ARG 10 HH11 ARG 10 -0.516 -4.151 -12.297 81 2HH2 ARG 10 HH12 ARG 10 0.973 -5.033 -12.349 82 H ASP 11 HN ASP 11 2.369 3.549 -16.005 83 HA ASP 11 HA ASP 11 2.183 4.569 -13.366 84 1HB ASP 11 HB2 ASP 11 1.201 6.562 -14.486 85 2HB ASP 11 HB1 ASP 11 2.701 6.015 -15.232 86 H ILE 12 HN ILE 12 -0.115 3.558 -15.823 87 HA ILE 12 HA ILE 12 -2.519 4.070 -14.275 88 HB ILE 12 HB ILE 12 -3.663 2.971 -16.262 89 1HG1 ILE 12 HG12 ILE 12 -0.874 2.910 -17.474 90 2HG1 ILE 12 HG11 ILE 12 -1.705 1.484 -16.891 91 1HG2 ILE 12 HG21 ILE 12 -1.701 5.179 -16.935 92 2HG2 ILE 12 HG22 ILE 12 -3.263 5.414 -16.151 93 3HG2 ILE 12 HG23 ILE 12 -3.188 4.822 -17.804 94 1HD1 ILE 12 HD11 ILE 12 -2.667 3.314 -19.109 95 2HD1 ILE 12 HD12 ILE 12 -3.567 1.934 -18.483 96 3HD1 ILE 12 HD13 ILE 12 -2.028 1.685 -19.305 97 H THR 13 HN THR 13 -3.626 2.761 -12.980 98 HA THR 13 HA THR 13 -2.677 0.062 -12.382 99 HB THR 13 HB THR 13 -5.143 0.847 -10.960 100 HG1 THR 13 HG1 THR 13 -3.602 2.597 -9.940 101 1HG2 THR 13 HG21 THR 13 -3.752 0.551 -8.970 102 2HG2 THR 13 HG22 THR 13 -2.282 0.623 -9.940 103 3HG2 THR 13 HG23 THR 13 -3.379 -0.746 -10.107 104 HA PRO 14 HA PRO 14 -7.334 -0.611 -14.323 105 1HB PRO 14 HB2 PRO 14 -6.718 1.479 -16.423 106 2HB PRO 14 HB1 PRO 14 -8.300 0.942 -15.797 107 1HG PRO 14 HG2 PRO 14 -7.345 3.211 -14.920 108 2HG PRO 14 HG1 PRO 14 -7.959 2.046 -13.719 109 1HD PRO 14 HD2 PRO 14 -5.091 2.611 -14.461 110 2HD PRO 14 HD1 PRO 14 -5.778 2.400 -12.847 111 H ARG 15 HN ARG 15 -4.142 -0.935 -15.066 112 HA ARG 15 HA ARG 15 -4.691 -2.768 -17.301 113 1HB ARG 15 HB2 ARG 15 -3.830 -0.498 -18.142 114 2HB ARG 15 HB1 ARG 15 -2.307 -0.865 -17.336 115 1HG ARG 15 HG2 ARG 15 -2.132 -2.960 -18.705 116 2HG ARG 15 HG1 ARG 15 -3.635 -2.540 -19.503 117 1HD ARG 15 HD2 ARG 15 -2.608 -0.462 -20.342 118 2HD ARG 15 HD1 ARG 15 -1.099 -0.891 -19.534 119 HE ARG 15 HE ARG 15 -0.667 -2.410 -21.231 120 1HH1 ARG 15 HH21 ARG 15 -4.023 -1.533 -21.218 121 2HH1 ARG 15 HH22 ARG 15 -4.393 -2.388 -22.678 122 1HH2 ARG 15 HH11 ARG 15 -1.158 -3.554 -23.127 123 2HH2 ARG 15 HH12 ARG 15 -2.771 -3.532 -23.758 124 H LEU 16 HN LEU 16 -4.375 -3.476 -14.628 125 HA LEU 16 HA LEU 16 -2.013 -4.071 -13.476 126 1HB LEU 16 HB2 LEU 16 -3.006 -6.148 -12.633 127 2HB LEU 16 HB1 LEU 16 -4.102 -4.786 -12.556 128 HG LEU 16 HG LEU 16 -4.712 -5.877 -15.087 129 1HD1 LEU 16 HD11 LEU 16 -4.354 -8.193 -13.157 130 2HD1 LEU 16 HD12 LEU 16 -3.276 -7.850 -14.509 131 3HD1 LEU 16 HD13 LEU 16 -4.949 -8.252 -14.805 132 1HD2 LEU 16 HD21 LEU 16 -6.041 -6.479 -12.414 133 2HD2 LEU 16 HD22 LEU 16 -6.794 -6.711 -13.990 134 3HD2 LEU 16 HD23 LEU 16 -6.374 -5.092 -13.443 135 H GLY 17 HN GLY 17 -0.389 -5.740 -13.717 136 1HA GLY 17 HA2 GLY 17 -0.329 -7.227 -16.319 137 2HA GLY 17 HA1 GLY 17 1.081 -6.425 -15.641 138 H ALA 18 HN ALA 18 1.559 -8.884 -16.162 139 HA ALA 18 HA ALA 18 1.938 -10.145 -13.579 140 1HB ALA 18 HB1 ALA 18 0.302 -11.578 -15.717 141 2HB ALA 18 HB2 ALA 18 -0.349 -10.948 -14.205 142 3HB ALA 18 HB3 ALA 18 0.828 -12.263 -14.180 143 H ARG 19 HN ARG 19 3.576 -11.622 -13.583 144 HA ARG 19 HA ARG 19 5.382 -11.609 -15.953 145 1HB ARG 19 HB2 ARG 19 5.857 -12.271 -13.049 146 2HB ARG 19 HB1 ARG 19 7.073 -12.361 -14.317 147 1HG ARG 19 HG2 ARG 19 6.719 -9.951 -14.810 148 2HG ARG 19 HG1 ARG 19 5.544 -9.877 -13.505 149 1HD ARG 19 HD2 ARG 19 7.273 -10.478 -11.879 150 2HD ARG 19 HD1 ARG 19 8.459 -10.650 -13.171 151 HE ARG 19 HE ARG 19 7.573 -8.192 -11.965 152 1HH1 ARG 19 HH21 ARG 19 8.709 -9.625 -14.921 153 2HH1 ARG 19 HH22 ARG 19 9.339 -8.140 -15.550 154 1HH2 ARG 19 HH11 ARG 19 8.387 -6.255 -12.807 155 2HH2 ARG 19 HH12 ARG 19 9.158 -6.240 -14.358 156 H LEU 20 HN LEU 20 5.344 -13.388 -17.198 157 HA LEU 20 HA LEU 20 5.057 -16.078 -15.964 158 1HB LEU 20 HB2 LEU 20 3.778 -15.055 -18.521 159 2HB LEU 20 HB1 LEU 20 3.825 -16.754 -18.061 160 HG LEU 20 HG LEU 20 2.524 -14.546 -16.411 161 1HD1 LEU 20 HD11 LEU 20 0.391 -15.553 -17.146 162 2HD1 LEU 20 HD12 LEU 20 1.274 -16.697 -18.153 163 3HD1 LEU 20 HD13 LEU 20 1.324 -14.973 -18.528 164 1HD2 LEU 20 HD21 LEU 20 1.414 -16.782 -15.401 165 2HD2 LEU 20 HD22 LEU 20 2.947 -16.195 -14.794 166 3HD2 LEU 20 HD23 LEU 20 2.914 -17.521 -15.954 167 H VAL 21 HN VAL 21 6.603 -17.429 -16.507 168 HA VAL 21 HA VAL 21 8.444 -16.789 -18.764 169 HB VAL 21 HB VAL 21 9.100 -18.154 -16.125 170 1HG1 VAL 21 HG11 VAL 21 10.536 -18.941 -17.948 171 2HG1 VAL 21 HG12 VAL 21 11.461 -17.854 -16.917 172 3HG1 VAL 21 HG13 VAL 21 10.837 -17.281 -18.463 173 1HG2 VAL 21 HG21 VAL 21 8.631 -15.766 -15.790 174 2HG2 VAL 21 HG22 VAL 21 9.723 -15.348 -17.110 175 3HG2 VAL 21 HG23 VAL 21 10.361 -16.068 -15.632 176 H GLN 22 HN GLN 22 8.936 -18.475 -20.093 177 HA GLN 22 HA GLN 22 7.127 -20.716 -20.202 178 1HB GLN 22 HB2 GLN 22 8.112 -19.584 -22.206 179 2HB GLN 22 HB1 GLN 22 9.690 -20.228 -21.764 180 1HG GLN 22 HG2 GLN 22 8.826 -22.533 -21.966 181 2HG GLN 22 HG1 GLN 22 7.224 -21.909 -22.354 182 1HE2 GLN 22 HE21 GLN 22 6.968 -22.425 -24.539 183 2HE2 GLN 22 HE22 GLN 22 8.083 -22.026 -25.756 184 H GLU 23 HN GLU 23 7.403 -22.743 -19.381 185 HA GLU 23 HA GLU 23 10.044 -23.838 -18.849 186 1HB GLU 23 HB2 GLU 23 9.306 -22.341 -16.803 187 2HB GLU 23 HB1 GLU 23 8.213 -23.662 -16.418 188 1HG GLU 23 HG2 GLU 23 11.241 -23.850 -16.699 189 2HG GLU 23 HG1 GLU 23 10.330 -23.926 -15.196 190 H GLY 24 HN GLY 24 9.672 -25.672 -19.965 191 1HA GLY 24 HA2 GLY 24 8.885 -27.780 -20.414 192 2HA GLY 24 HA1 GLY 24 7.934 -27.693 -18.931 193 H ASN 25 HN ASN 25 6.321 -28.807 -20.335 194 HA ASN 25 HA ASN 25 5.022 -27.216 -22.403 195 1HB ASN 25 HB2 ASN 25 3.499 -29.196 -22.542 196 2HB ASN 25 HB1 ASN 25 5.197 -29.636 -22.700 197 1HD2 ASN 25 HD21 ASN 25 5.332 -31.671 -21.708 198 2HD2 ASN 25 HD22 ASN 25 4.776 -32.007 -20.139 199 H GLN 26 HN GLN 26 5.132 -26.235 -19.620 200 HA GLN 26 HA GLN 26 2.270 -25.636 -19.268 201 1HB GLN 26 HB2 GLN 26 2.440 -26.126 -16.814 202 2HB GLN 26 HB1 GLN 26 2.563 -27.568 -17.820 203 1HG GLN 26 HG2 GLN 26 5.037 -27.489 -17.625 204 2HG GLN 26 HG1 GLN 26 4.904 -26.070 -16.591 205 1HE2 GLN 26 HE21 GLN 26 5.026 -29.478 -16.555 206 2HE2 GLN 26 HE22 GLN 26 4.495 -29.710 -14.959 207 H LEU 27 HN LEU 27 1.901 -23.647 -18.362 208 HA LEU 27 HA LEU 27 4.242 -21.845 -18.023 209 1HB LEU 27 HB2 LEU 27 1.299 -21.448 -18.643 210 2HB LEU 27 HB1 LEU 27 2.222 -20.109 -17.962 211 HG LEU 27 HG LEU 27 3.827 -20.243 -19.832 212 1HD1 LEU 27 HD11 LEU 27 3.195 -21.710 -21.816 213 2HD1 LEU 27 HD12 LEU 27 2.063 -22.540 -20.747 214 3HD1 LEU 27 HD13 LEU 27 3.788 -22.575 -20.407 215 1HD2 LEU 27 HD21 LEU 27 2.304 -19.448 -21.611 216 2HD2 LEU 27 HD22 LEU 27 1.835 -18.793 -20.043 217 3HD2 LEU 27 HD23 LEU 27 0.931 -20.136 -20.745 218 H HIS 28 HN HIS 28 4.826 -21.154 -16.089 219 HA HIS 28 HA HIS 28 3.437 -22.114 -13.706 220 1HB HIS 28 HB2 HIS 28 5.968 -22.112 -14.073 221 2HB HIS 28 HB1 HIS 28 5.927 -20.372 -13.810 222 HD1 HIS 28 HD1 HIS 28 3.315 -21.372 -11.750 223 HD2 HIS 28 HD2 HIS 28 7.438 -21.896 -11.409 224 HE1 HIS 28 HE1 HIS 28 3.769 -21.882 -9.317 225 HE2 HIS 28 HE2 HIS 28 6.277 -22.205 -9.088 226 H TYR 29 HN TYR 29 1.790 -20.901 -12.907 227 HA TYR 29 HA TYR 29 1.729 -17.963 -13.305 228 1HB TYR 29 HB2 TYR 29 -0.335 -19.147 -13.900 229 2HB TYR 29 HB1 TYR 29 -0.392 -19.911 -12.315 230 HD1 TYR 29 HD1 TYR 29 -1.231 -18.689 -10.371 231 HD2 TYR 29 HD2 TYR 29 -0.619 -16.633 -14.098 232 HE1 TYR 29 HE1 TYR 29 -2.379 -16.687 -9.466 233 HE2 TYR 29 HE2 TYR 29 -1.763 -14.636 -13.182 234 HH TYR 29 HH TYR 29 -2.486 -13.663 -11.270 235 H LEU 30 HN LEU 30 2.856 -16.924 -11.810 236 HA LEU 30 HA LEU 30 3.038 -17.894 -9.028 237 1HB LEU 30 HB2 LEU 30 4.512 -15.879 -10.722 238 2HB LEU 30 HB1 LEU 30 4.623 -15.771 -8.969 239 HG LEU 30 HG LEU 30 6.504 -17.039 -9.951 240 1HD1 LEU 30 HD11 LEU 30 5.013 -19.221 -8.509 241 2HD1 LEU 30 HD12 LEU 30 5.254 -17.709 -7.641 242 3HD1 LEU 30 HD13 LEU 30 6.639 -18.593 -8.259 243 1HD2 LEU 30 HD21 LEU 30 5.163 -17.946 -11.903 244 2HD2 LEU 30 HD22 LEU 30 4.459 -19.116 -10.789 245 3HD2 LEU 30 HD23 LEU 30 6.191 -19.127 -11.097 246 H ALA 31 HN ALA 31 1.500 -17.253 -7.678 247 HA ALA 31 HA ALA 31 -0.359 -15.173 -8.105 248 1HB ALA 31 HB1 ALA 31 0.466 -16.570 -5.547 249 2HB ALA 31 HB2 ALA 31 -0.758 -17.140 -6.680 250 3HB ALA 31 HB3 ALA 31 -1.019 -15.644 -5.780 251 H ASP 32 HN ASP 32 2.655 -15.361 -6.275 252 HA ASP 32 HA ASP 32 2.463 -12.878 -4.910 253 1HB ASP 32 HB2 ASP 32 4.902 -14.492 -5.725 254 2HB ASP 32 HB1 ASP 32 4.917 -13.158 -4.574 255 H ARG 33 HN ARG 33 2.862 -13.545 -8.197 256 HA ARG 33 HA ARG 33 4.206 -10.941 -8.762 257 1HB ARG 33 HB2 ARG 33 4.282 -13.605 -10.115 258 2HB ARG 33 HB1 ARG 33 4.472 -12.183 -11.111 259 1HG ARG 33 HG2 ARG 33 6.661 -13.096 -10.362 260 2HG ARG 33 HG1 ARG 33 6.402 -11.445 -9.813 261 1HD ARG 33 HD2 ARG 33 6.042 -12.134 -7.560 262 2HD ARG 33 HD1 ARG 33 5.687 -13.795 -8.029 263 HE ARG 33 HE ARG 33 7.950 -14.238 -7.947 264 1HH1 ARG 33 HH21 ARG 33 7.452 -10.811 -8.299 265 2HH1 ARG 33 HH22 ARG 33 9.134 -10.424 -8.159 266 1HH2 ARG 33 HH11 ARG 33 10.142 -13.716 -7.776 267 2HH2 ARG 33 HH12 ARG 33 10.652 -12.065 -7.866 268 H ALA 34 HN ALA 34 1.857 -10.231 -8.252 269 HA ALA 34 HA ALA 34 0.658 -9.475 -10.705 270 1HB ALA 34 HB1 ALA 34 -0.918 -11.468 -9.020 271 2HB ALA 34 HB2 ALA 34 -0.281 -11.783 -10.635 272 3HB ALA 34 HB3 ALA 34 -1.549 -10.581 -10.406 273 H SER 35 HN SER 35 -1.507 -8.339 -10.202 274 HA SER 35 HA SER 35 -1.513 -7.115 -7.497 275 1HB SER 35 HB2 SER 35 -1.465 -5.601 -10.120 276 2HB SER 35 HB1 SER 35 -1.674 -4.889 -8.521 277 HG SER 35 HG SER 35 0.514 -6.580 -9.007 278 H ILE 36 HN ILE 36 -3.591 -6.692 -6.799 279 HA ILE 36 HA ILE 36 -5.824 -7.485 -8.560 280 HB ILE 36 HB ILE 36 -5.577 -8.445 -6.242 281 1HG1 ILE 36 HG12 ILE 36 -7.982 -8.078 -5.566 282 2HG1 ILE 36 HG11 ILE 36 -8.089 -6.802 -6.768 283 1HG2 ILE 36 HG21 ILE 36 -6.029 -7.088 -4.290 284 2HG2 ILE 36 HG22 ILE 36 -6.405 -5.679 -5.277 285 3HG2 ILE 36 HG23 ILE 36 -4.749 -6.284 -5.198 286 1HD1 ILE 36 HD11 ILE 36 -8.918 -9.234 -7.335 287 2HD1 ILE 36 HD12 ILE 36 -7.217 -9.564 -7.634 288 3HD1 ILE 36 HD13 ILE 36 -8.052 -8.311 -8.550 289 H THR 37 HN THR 37 -7.505 -6.114 -9.064 290 HA THR 37 HA THR 37 -7.250 -3.225 -8.360 291 HB THR 37 HB THR 37 -7.900 -2.664 -10.653 292 HG1 THR 37 HG1 THR 37 -8.386 -4.170 -12.085 293 1HG2 THR 37 HG21 THR 37 -5.484 -2.904 -10.098 294 2HG2 THR 37 HG22 THR 37 -5.827 -3.296 -11.782 295 3HG2 THR 37 HG23 THR 37 -5.561 -4.590 -10.613 296 H GLY 38 HN GLY 38 -9.234 -2.130 -8.143 297 1HA GLY 38 HA2 GLY 38 -11.521 -1.876 -7.970 298 2HA GLY 38 HA1 GLY 38 -11.756 -3.481 -8.653 299 H LYS 39 HN LYS 39 -13.217 -4.192 -7.130 300 HA LYS 39 HA LYS 39 -12.185 -5.230 -4.650 301 1HB LYS 39 HB2 LYS 39 -13.886 -3.878 -3.233 302 2HB LYS 39 HB1 LYS 39 -12.446 -3.009 -3.761 303 1HG LYS 39 HG2 LYS 39 -13.665 -1.983 -5.615 304 2HG LYS 39 HG1 LYS 39 -15.106 -2.917 -5.238 305 1HD LYS 39 HD2 LYS 39 -15.247 -1.804 -3.033 306 2HD LYS 39 HD1 LYS 39 -13.807 -0.864 -3.421 307 1HE LYS 39 HE2 LYS 39 -14.979 0.140 -5.354 308 2HE LYS 39 HE1 LYS 39 -16.419 -0.807 -4.976 309 1HZ LYS 39 HZ1 LYS 39 -15.328 0.771 -2.797 310 2HZ LYS 39 HZ2 LYS 39 -16.945 0.513 -3.255 311 3HZ LYS 39 HZ3 LYS 39 -15.997 1.658 -4.078 312 H PHE 40 HN PHE 40 -12.995 -7.060 -5.997 313 HA PHE 40 HA PHE 40 -15.736 -7.466 -6.548 314 1HB PHE 40 HB2 PHE 40 -13.653 -9.559 -5.810 315 2HB PHE 40 HB1 PHE 40 -15.079 -9.772 -6.828 316 HD1 PHE 40 HD1 PHE 40 -15.079 -8.992 -9.176 317 HD2 PHE 40 HD2 PHE 40 -11.694 -8.262 -6.616 318 HE1 PHE 40 HE1 PHE 40 -13.727 -8.308 -11.141 319 HE2 PHE 40 HE2 PHE 40 -10.357 -7.576 -8.575 320 HZ PHE 40 HZ PHE 40 -11.368 -7.604 -10.842 321 H SER 41 HN SER 41 -17.368 -8.187 -5.378 322 HA SER 41 HA SER 41 -17.317 -8.041 -2.515 323 1HB SER 41 HB2 SER 41 -19.662 -8.620 -2.668 324 2HB SER 41 HB1 SER 41 -19.287 -7.481 -3.961 325 HG SER 41 HG SER 41 -18.833 -9.602 -5.152 326 H ASP 42 HN ASP 42 -18.207 -9.843 -1.184 327 HA ASP 42 HA ASP 42 -16.576 -12.193 -1.371 328 1HB ASP 42 HB2 ASP 42 -19.041 -11.617 0.301 329 2HB ASP 42 HB1 ASP 42 -17.937 -12.970 0.545 330 H ALA 43 HN ALA 43 -19.656 -11.368 -2.745 331 HA ALA 43 HA ALA 43 -20.362 -14.189 -3.249 332 1HB ALA 43 HB1 ALA 43 -22.418 -13.254 -4.224 333 2HB ALA 43 HB2 ALA 43 -21.783 -11.621 -4.012 334 3HB ALA 43 HB3 ALA 43 -22.142 -12.615 -2.602 335 H GLU 44 HN GLU 44 -18.500 -11.777 -4.669 336 HA GLU 44 HA GLU 44 -18.750 -12.852 -7.463 337 1HB GLU 44 HB2 GLU 44 -19.200 -10.380 -7.020 338 2HB GLU 44 HB1 GLU 44 -17.518 -10.235 -6.545 339 1HG GLU 44 HG2 GLU 44 -17.701 -9.575 -8.880 340 2HG GLU 44 HG1 GLU 44 -16.863 -11.118 -8.823 341 H CYS 45 HN CYS 45 -16.477 -12.315 -4.806 342 HA CYS 45 HA CYS 45 -14.122 -12.819 -6.315 343 1HB CYS 45 HB2 CYS 45 -14.718 -12.270 -3.580 344 2HB CYS 45 HB1 CYS 45 -13.867 -13.803 -3.547 345 HG CYS 45 HG CYS 45 -12.297 -11.523 -3.553 346 HA PRO 46 HA PRO 46 -14.792 -17.503 -4.946 347 1HB PRO 46 HB2 PRO 46 -17.813 -17.543 -5.007 348 2HB PRO 46 HB1 PRO 46 -16.704 -18.400 -3.910 349 1HG PRO 46 HG2 PRO 46 -18.033 -16.292 -3.026 350 2HG PRO 46 HG1 PRO 46 -16.310 -16.473 -2.611 351 1HD PRO 46 HD2 PRO 46 -17.524 -14.710 -4.776 352 2HD PRO 46 HD1 PRO 46 -16.279 -14.302 -3.575 353 H LYS 47 HN LYS 47 -17.459 -16.180 -6.929 354 HA LYS 47 HA LYS 47 -17.537 -18.222 -8.830 355 1HB LYS 47 HB2 LYS 47 -19.272 -16.451 -8.540 356 2HB LYS 47 HB1 LYS 47 -18.180 -15.286 -9.286 357 1HG LYS 47 HG2 LYS 47 -18.147 -16.626 -11.366 358 2HG LYS 47 HG1 LYS 47 -19.190 -17.831 -10.613 359 1HD LYS 47 HD2 LYS 47 -20.964 -16.118 -10.355 360 2HD LYS 47 HD1 LYS 47 -19.914 -14.926 -11.123 361 1HE LYS 47 HE2 LYS 47 -19.849 -16.297 -13.180 362 2HE LYS 47 HE1 LYS 47 -20.892 -17.496 -12.415 363 1HZ LYS 47 HZ1 LYS 47 -22.646 -15.927 -12.272 364 2HZ LYS 47 HZ2 LYS 47 -22.064 -15.884 -13.868 365 3HZ LYS 47 HZ3 LYS 47 -21.646 -14.652 -12.775 366 H LEU 48 HN LEU 48 -15.724 -15.139 -8.896 367 HA LEU 48 HA LEU 48 -14.651 -15.447 -11.475 368 1HB LEU 48 HB2 LEU 48 -14.649 -13.411 -9.720 369 2HB LEU 48 HB1 LEU 48 -13.049 -14.020 -9.332 370 HG LEU 48 HG LEU 48 -14.039 -13.093 -12.065 371 1HD1 LEU 48 HD11 LEU 48 -13.515 -11.289 -10.457 372 2HD1 LEU 48 HD12 LEU 48 -12.352 -11.324 -11.783 373 3HD1 LEU 48 HD13 LEU 48 -11.911 -11.983 -10.208 374 1HD2 LEU 48 HD21 LEU 48 -12.538 -14.841 -12.603 375 2HD2 LEU 48 HD22 LEU 48 -11.463 -14.480 -11.254 376 3HD2 LEU 48 HD23 LEU 48 -11.509 -13.415 -12.655 377 H ASP 49 HN ASP 49 -13.491 -16.576 -8.322 378 HA ASP 49 HA ASP 49 -10.946 -17.492 -9.130 379 1HB ASP 49 HB2 ASP 49 -12.779 -18.567 -6.956 380 2HB ASP 49 HB1 ASP 49 -11.062 -18.934 -7.106 381 H VAL 50 HN VAL 50 -14.042 -18.594 -10.033 382 HA VAL 50 HA VAL 50 -13.026 -21.284 -10.778 383 HB VAL 50 HB VAL 50 -15.902 -20.268 -10.682 384 1HG1 VAL 50 HG11 VAL 50 -15.723 -22.075 -12.310 385 2HG1 VAL 50 HG12 VAL 50 -16.453 -22.740 -10.853 386 3HG1 VAL 50 HG13 VAL 50 -14.750 -23.040 -11.202 387 1HG2 VAL 50 HG21 VAL 50 -16.107 -21.684 -8.669 388 2HG2 VAL 50 HG22 VAL 50 -14.867 -20.456 -8.439 389 3HG2 VAL 50 HG23 VAL 50 -14.403 -22.118 -8.792 390 H VAL 51 HN VAL 51 -13.859 -18.212 -12.054 391 HA VAL 51 HA VAL 51 -14.230 -19.197 -14.807 392 HB VAL 51 HB VAL 51 -14.223 -16.378 -13.679 393 1HG1 VAL 51 HG11 VAL 51 -15.308 -15.857 -15.923 394 2HG1 VAL 51 HG12 VAL 51 -14.826 -17.455 -16.465 395 3HG1 VAL 51 HG13 VAL 51 -13.603 -16.266 -16.023 396 1HG2 VAL 51 HG21 VAL 51 -16.491 -18.186 -14.605 397 2HG2 VAL 51 HG22 VAL 51 -16.667 -16.535 -14.011 398 3HG2 VAL 51 HG23 VAL 51 -16.121 -17.804 -12.926 399 H PHE 52 HN PHE 52 -11.832 -17.601 -12.748 400 HA PHE 52 HA PHE 52 -10.017 -16.848 -14.789 401 1HB PHE 52 HB2 PHE 52 -9.940 -15.967 -12.463 402 2HB PHE 52 HB1 PHE 52 -9.351 -17.522 -11.908 403 HD1 PHE 52 HD1 PHE 52 -8.593 -14.676 -14.224 404 HD2 PHE 52 HD2 PHE 52 -6.987 -18.081 -12.137 405 HE1 PHE 52 HE1 PHE 52 -6.297 -14.014 -14.884 406 HE2 PHE 52 HE2 PHE 52 -4.699 -17.398 -12.795 407 HZ PHE 52 HZ PHE 52 -4.354 -15.369 -14.167 408 HA PRO 53 HA PRO 53 -7.739 -21.141 -14.029 409 1HB PRO 53 HB2 PRO 53 -9.408 -23.234 -13.285 410 2HB PRO 53 HB1 PRO 53 -8.489 -22.263 -12.108 411 1HG PRO 53 HG2 PRO 53 -11.331 -21.846 -13.040 412 2HG PRO 53 HG1 PRO 53 -10.731 -22.005 -11.370 413 1HD PRO 53 HD2 PRO 53 -11.118 -19.566 -12.270 414 2HD PRO 53 HD1 PRO 53 -9.566 -19.895 -11.491 415 H HIS 54 HN HIS 54 -11.046 -20.761 -15.231 416 HA HIS 54 HA HIS 54 -11.050 -22.825 -17.154 417 1HB HIS 54 HB2 HIS 54 -13.066 -21.504 -16.466 418 2HB HIS 54 HB1 HIS 54 -12.437 -20.130 -17.367 419 HD1 HIS 54 HD1 HIS 54 -14.350 -23.225 -17.772 420 HD2 HIS 54 HD2 HIS 54 -12.183 -20.672 -20.251 421 HE1 HIS 54 HE1 HIS 54 -15.008 -23.806 -20.147 422 HE2 HIS 54 HE2 HIS 54 -13.694 -22.256 -21.672 423 H PHE 55 HN PHE 55 -9.961 -19.450 -17.357 424 HA PHE 55 HA PHE 55 -9.171 -19.453 -20.128 425 1HB PHE 55 HB2 PHE 55 -8.414 -17.793 -17.706 426 2HB PHE 55 HB1 PHE 55 -7.659 -17.522 -19.272 427 HD1 PHE 55 HD1 PHE 55 -10.627 -16.867 -17.260 428 HD2 PHE 55 HD2 PHE 55 -9.135 -17.031 -21.296 429 HE1 PHE 55 HE1 PHE 55 -12.534 -15.497 -18.039 430 HE2 PHE 55 HE2 PHE 55 -11.052 -15.663 -22.054 431 HZ PHE 55 HZ PHE 55 -12.751 -14.897 -20.426 432 H ILE 56 HN ILE 56 -7.425 -20.261 -17.107 433 HA ILE 56 HA ILE 56 -4.947 -20.573 -18.461 434 HB ILE 56 HB ILE 56 -5.822 -21.939 -15.871 435 1HG1 ILE 56 HG12 ILE 56 -4.419 -19.250 -16.216 436 2HG1 ILE 56 HG11 ILE 56 -6.128 -19.425 -15.849 437 1HG2 ILE 56 HG21 ILE 56 -3.396 -21.951 -15.360 438 2HG2 ILE 56 HG22 ILE 56 -3.059 -21.210 -16.919 439 3HG2 ILE 56 HG23 ILE 56 -3.718 -22.841 -16.845 440 1HD1 ILE 56 HD11 ILE 56 -3.914 -19.434 -14.025 441 2HD1 ILE 56 HD12 ILE 56 -4.725 -20.991 -13.897 442 3HD1 ILE 56 HD13 ILE 56 -5.629 -19.497 -13.664 443 H SER 57 HN SER 57 -7.509 -22.871 -17.620 444 HA SER 57 HA SER 57 -6.246 -25.218 -18.492 445 1HB SER 57 HB2 SER 57 -8.347 -25.187 -17.208 446 2HB SER 57 HB1 SER 57 -9.185 -24.497 -18.594 447 HG SER 57 HG SER 57 -8.800 -27.026 -18.073 448 H GLN 58 HN GLN 58 -8.304 -22.926 -20.321 449 HA GLN 58 HA GLN 58 -8.108 -24.378 -22.800 450 1HB GLN 58 HB2 GLN 58 -9.965 -22.780 -22.217 451 2HB GLN 58 HB1 GLN 58 -8.823 -21.448 -22.377 452 1HG GLN 58 HG2 GLN 58 -8.419 -22.084 -24.740 453 2HG GLN 58 HG1 GLN 58 -9.550 -23.423 -24.571 454 1HE2 GLN 58 HE21 GLN 58 -9.966 -21.356 -26.496 455 2HE2 GLN 58 HE22 GLN 58 -11.334 -20.462 -26.039 456 H ILE 59 HN ILE 59 -6.272 -21.657 -21.411 457 HA ILE 59 HA ILE 59 -4.791 -21.015 -23.741 458 HB ILE 59 HB ILE 59 -4.252 -20.677 -20.784 459 1HG1 ILE 59 HG12 ILE 59 -4.628 -18.520 -22.914 460 2HG1 ILE 59 HG11 ILE 59 -5.996 -19.239 -22.083 461 1HG2 ILE 59 HG21 ILE 59 -2.401 -19.915 -23.083 462 2HG2 ILE 59 HG22 ILE 59 -1.993 -20.826 -21.628 463 3HG2 ILE 59 HG23 ILE 59 -2.319 -19.103 -21.520 464 1HD1 ILE 59 HD11 ILE 59 -5.247 -17.128 -21.001 465 2HD1 ILE 59 HD12 ILE 59 -3.667 -17.855 -20.714 466 3HD1 ILE 59 HD13 ILE 59 -5.094 -18.512 -19.915 467 H GLU 60 HN GLU 60 -4.068 -23.321 -21.092 468 HA GLU 60 HA GLU 60 -1.542 -24.145 -21.938 469 1HB GLU 60 HB2 GLU 60 -3.775 -25.659 -20.552 470 2HB GLU 60 HB1 GLU 60 -2.191 -26.385 -20.825 471 1HG GLU 60 HG2 GLU 60 -1.112 -24.618 -19.518 472 2HG GLU 60 HG1 GLU 60 -2.640 -23.780 -19.321 473 H SER 61 HN SER 61 -4.729 -25.260 -23.039 474 HA SER 61 HA SER 61 -3.600 -27.190 -24.882 475 1HB SER 61 HB2 SER 61 -5.946 -27.469 -25.665 476 2HB SER 61 HB1 SER 61 -5.854 -27.543 -23.908 477 HG SER 61 HG SER 61 -6.489 -25.366 -23.849 478 H MET 62 HN MET 62 -4.555 -23.828 -25.047 479 HA MET 62 HA MET 62 -4.697 -23.545 -27.884 480 1HB MET 62 HB2 MET 62 -5.471 -21.833 -26.184 481 2HB MET 62 HB1 MET 62 -3.783 -21.456 -25.875 482 1HG MET 62 HG2 MET 62 -4.890 -21.296 -28.707 483 2HG MET 62 HG1 MET 62 -5.079 -19.950 -27.596 484 1HE MET 62 HE1 MET 62 -3.074 -19.107 -26.124 485 2HE MET 62 HE2 MET 62 -3.274 -18.034 -27.508 486 3HE MET 62 HE3 MET 62 -1.657 -18.517 -27.008 487 H LEU 63 HN LEU 63 -1.969 -23.634 -25.669 488 HA LEU 63 HA LEU 63 -0.012 -22.662 -27.478 489 1HB LEU 63 HB2 LEU 63 0.234 -24.636 -25.192 490 2HB LEU 63 HB1 LEU 63 1.599 -23.847 -25.977 491 HG LEU 63 HG LEU 63 -0.652 -22.346 -24.584 492 1HD1 LEU 63 HD11 LEU 63 0.952 -21.949 -22.774 493 2HD1 LEU 63 HD12 LEU 63 2.132 -22.982 -23.588 494 3HD1 LEU 63 HD13 LEU 63 0.632 -23.672 -22.970 495 1HD2 LEU 63 HD21 LEU 63 1.944 -21.446 -25.870 496 2HD2 LEU 63 HD22 LEU 63 1.176 -20.476 -24.618 497 3HD2 LEU 63 HD23 LEU 63 0.325 -20.804 -26.112 498 H THR 64 HN THR 64 -1.293 -25.901 -26.874 499 HA THR 64 HA THR 64 0.461 -27.264 -28.738 500 HB THR 64 HB THR 64 -0.983 -29.181 -28.321 501 HG1 THR 64 HG1 THR 64 -2.669 -27.151 -27.446 502 1HG2 THR 64 HG21 THR 64 0.690 -28.569 -26.595 503 2HG2 THR 64 HG22 THR 64 -0.740 -29.309 -25.877 504 3HG2 THR 64 HG23 THR 64 -0.518 -27.563 -25.794 505 H THR 65 HN THR 65 -3.056 -26.547 -28.807 506 HA THR 65 HA THR 65 -3.361 -27.342 -31.541 507 HB THR 65 HB THR 65 -5.609 -26.356 -31.358 508 HG1 THR 65 HG1 THR 65 -5.064 -25.551 -28.743 509 1HG2 THR 65 HG21 THR 65 -5.200 -28.559 -30.314 510 2HG2 THR 65 HG22 THR 65 -6.403 -27.636 -29.412 511 3HG2 THR 65 HG23 THR 65 -4.751 -27.759 -28.808 512 H GLY 66 HN GLY 66 -2.865 -24.195 -29.978 513 1HA GLY 66 HA2 GLY 66 -3.102 -22.701 -32.468 514 2HA GLY 66 HA1 GLY 66 -2.622 -22.070 -30.897 515 H GLU 67 HN GLU 67 -0.692 -24.508 -30.865 516 HA GLU 67 HA GLU 67 1.580 -24.749 -31.144 517 1HB GLU 67 HB2 GLU 67 0.773 -25.349 -33.428 518 2HB GLU 67 HB1 GLU 67 0.982 -23.672 -33.924 519 1HG GLU 67 HG2 GLU 67 3.403 -23.817 -33.412 520 2HG GLU 67 HG1 GLU 67 3.194 -25.483 -32.880 521 H LEU 68 HN LEU 68 2.111 -23.036 -29.588 522 HA LEU 68 HA LEU 68 2.503 -20.321 -30.573 523 1HB LEU 68 HB2 LEU 68 1.794 -20.718 -28.221 524 2HB LEU 68 HB1 LEU 68 3.296 -21.576 -27.912 525 HG LEU 68 HG LEU 68 4.581 -19.488 -28.410 526 1HD1 LEU 68 HD11 LEU 68 1.824 -18.388 -29.005 527 2HD1 LEU 68 HD12 LEU 68 3.328 -18.177 -29.900 528 3HD1 LEU 68 HD13 LEU 68 3.080 -17.305 -28.400 529 1HD2 LEU 68 HD21 LEU 68 3.964 -18.267 -26.381 530 2HD2 LEU 68 HD22 LEU 68 3.884 -20.003 -26.089 531 3HD2 LEU 68 HD23 LEU 68 2.401 -19.076 -26.344 532 H ASN 69 HN ASN 69 4.480 -19.358 -31.016 533 HA ASN 69 HA ASN 69 6.949 -20.869 -30.637 534 1HB ASN 69 HB2 ASN 69 6.093 -21.646 -32.836 535 2HB ASN 69 HB1 ASN 69 6.083 -19.977 -33.404 536 1HD2 ASN 69 HD21 ASN 69 8.092 -19.041 -34.036 537 2HD2 ASN 69 HD22 ASN 69 9.565 -19.884 -33.998 538 HA PRO 70 HA PRO 70 8.065 -16.446 -30.176 539 1HB PRO 70 HB2 PRO 70 10.675 -16.700 -29.487 540 2HB PRO 70 HB1 PRO 70 9.376 -17.181 -28.367 541 1HG PRO 70 HG2 PRO 70 11.055 -18.908 -30.174 542 2HG PRO 70 HG1 PRO 70 10.626 -19.160 -28.465 543 1HD PRO 70 HD2 PRO 70 9.273 -20.394 -30.525 544 2HD PRO 70 HD1 PRO 70 8.480 -19.966 -28.984 545 H ARG 71 HN ARG 71 7.891 -15.648 -32.278 546 HA ARG 71 HA ARG 71 10.345 -15.673 -33.941 547 1HB ARG 71 HB2 ARG 71 8.999 -16.135 -35.971 548 2HB ARG 71 HB1 ARG 71 9.076 -17.486 -34.840 549 1HG ARG 71 HG2 ARG 71 6.834 -16.862 -33.968 550 2HG ARG 71 HG1 ARG 71 6.747 -15.554 -35.147 551 1HD ARG 71 HD2 ARG 71 7.076 -18.491 -35.847 552 2HD ARG 71 HD1 ARG 71 5.559 -17.602 -35.933 553 HE ARG 71 HE ARG 71 7.719 -17.502 -37.839 554 1HH1 ARG 71 HH21 ARG 71 5.131 -15.686 -36.403 555 2HH1 ARG 71 HH22 ARG 71 4.973 -14.600 -37.743 556 1HH2 ARG 71 HH11 ARG 71 7.512 -16.072 -39.584 557 2HH2 ARG 71 HH12 ARG 71 6.318 -14.817 -39.539 558 H HIS 72 HN HIS 72 7.139 -14.378 -33.217 559 HA HIS 72 HA HIS 72 7.858 -11.626 -33.742 560 1HB HIS 72 HB2 HIS 72 7.515 -12.496 -36.075 561 2HB HIS 72 HB1 HIS 72 5.869 -12.937 -35.637 562 HD1 HIS 72 HD1 HIS 72 8.003 -9.780 -35.298 563 HD2 HIS 72 HD2 HIS 72 4.140 -10.917 -36.376 564 HE1 HIS 72 HE1 HIS 72 6.774 -7.651 -35.907 565 HE2 HIS 72 HE2 HIS 72 4.417 -8.327 -36.566 566 H ALA 73 HN ALA 73 6.248 -10.139 -33.191 567 HA ALA 73 HA ALA 73 4.666 -10.854 -30.965 568 1HB ALA 73 HB1 ALA 73 4.409 -8.401 -32.741 569 2HB ALA 73 HB2 ALA 73 5.542 -8.562 -31.405 570 3HB ALA 73 HB3 ALA 73 3.807 -8.567 -31.090 571 H GLN 74 HN GLN 74 2.430 -11.101 -30.731 572 HA GLN 74 HA GLN 74 0.627 -10.970 -33.005 573 1HB GLN 74 HB2 GLN 74 0.008 -13.505 -32.632 574 2HB GLN 74 HB1 GLN 74 1.420 -13.130 -33.616 575 1HG GLN 74 HG2 GLN 74 2.926 -13.549 -31.737 576 2HG GLN 74 HG1 GLN 74 1.568 -13.778 -30.647 577 1HE2 GLN 74 HE21 GLN 74 3.789 -15.473 -32.518 578 2HE2 GLN 74 HE22 GLN 74 2.930 -16.930 -32.670 579 H CYS 75 HN CYS 75 -0.784 -9.733 -31.910 580 HA CYS 75 HA CYS 75 -1.553 -10.295 -29.163 581 1HB CYS 75 HB2 CYS 75 -1.375 -7.977 -29.999 582 2HB CYS 75 HB1 CYS 75 -2.700 -8.285 -31.120 583 HG CYS 75 HG CYS 75 -3.053 -7.578 -28.232 584 H VAL 76 HN VAL 76 -3.399 -11.284 -28.486 585 HA VAL 76 HA VAL 76 -5.442 -12.066 -30.492 586 HB VAL 76 HB VAL 76 -5.599 -14.317 -29.397 587 1HG1 VAL 76 HG11 VAL 76 -3.529 -15.234 -30.393 588 2HG1 VAL 76 HG12 VAL 76 -2.840 -13.613 -30.461 589 3HG1 VAL 76 HG13 VAL 76 -4.246 -14.013 -31.446 590 1HG2 VAL 76 HG21 VAL 76 -3.713 -15.034 -27.924 591 2HG2 VAL 76 HG22 VAL 76 -4.648 -13.736 -27.193 592 3HG2 VAL 76 HG23 VAL 76 -3.090 -13.385 -27.942 593 H THR 77 HN THR 77 -7.551 -12.398 -29.612 594 HA THR 77 HA THR 77 -7.999 -11.390 -26.842 595 HB THR 77 HB THR 77 -9.919 -10.102 -27.672 596 HG1 THR 77 HG1 THR 77 -9.513 -9.973 -30.224 597 1HG2 THR 77 HG21 THR 77 -8.672 -8.361 -28.886 598 2HG2 THR 77 HG22 THR 77 -7.377 -9.509 -29.219 599 3HG2 THR 77 HG23 THR 77 -7.704 -9.004 -27.559 600 H LEU 78 HN LEU 78 -8.644 -13.293 -25.898 601 HA LEU 78 HA LEU 78 -10.519 -15.112 -27.276 602 1HB LEU 78 HB2 LEU 78 -8.872 -15.241 -24.728 603 2HB LEU 78 HB1 LEU 78 -10.167 -16.401 -25.012 604 HG LEU 78 HG LEU 78 -9.091 -17.120 -27.113 605 1HD1 LEU 78 HD11 LEU 78 -7.955 -15.156 -27.888 606 2HD1 LEU 78 HD12 LEU 78 -6.680 -16.309 -27.518 607 3HD1 LEU 78 HD13 LEU 78 -7.038 -14.996 -26.394 608 1HD2 LEU 78 HD21 LEU 78 -8.505 -18.251 -24.990 609 2HD2 LEU 78 HD22 LEU 78 -7.193 -17.096 -24.737 610 3HD2 LEU 78 HD23 LEU 78 -7.126 -18.225 -26.091 611 H TYR 79 HN TYR 79 -12.627 -15.460 -26.568 612 HA TYR 79 HA TYR 79 -13.689 -13.633 -24.466 613 1HB TYR 79 HB2 TYR 79 -14.971 -14.475 -27.095 614 2HB TYR 79 HB1 TYR 79 -15.742 -13.485 -25.854 615 HD1 TYR 79 HD1 TYR 79 -13.090 -13.576 -28.445 616 HD2 TYR 79 HD2 TYR 79 -15.033 -11.153 -25.466 617 HE1 TYR 79 HE1 TYR 79 -12.013 -11.550 -29.382 618 HE2 TYR 79 HE2 TYR 79 -13.952 -9.133 -26.413 619 HH TYR 79 HH TYR 79 -12.828 -8.791 -29.224 620 H HIS 80 HN HIS 80 -14.713 -14.705 -22.867 621 HA HIS 80 HA HIS 80 -16.315 -17.053 -23.372 622 1HB HIS 80 HB2 HIS 80 -14.023 -18.030 -23.281 623 2HB HIS 80 HB1 HIS 80 -13.827 -17.381 -21.656 624 HD1 HIS 80 HD1 HIS 80 -16.486 -19.470 -23.448 625 HD2 HIS 80 HD2 HIS 80 -14.505 -19.276 -19.788 626 HE1 HIS 80 HE1 HIS 80 -17.395 -21.371 -22.043 627 HE2 HIS 80 HE2 HIS 80 -16.188 -21.274 -19.809 628 H ASN 81 HN ASN 81 -17.828 -17.314 -21.756 629 HA ASN 81 HA ASN 81 -19.129 -16.704 -19.994 630 1HB ASN 81 HB2 ASN 81 -16.457 -16.391 -18.606 631 2HB ASN 81 HB1 ASN 81 -18.016 -16.609 -17.814 632 1HD2 ASN 81 HD21 ASN 81 -18.841 -18.591 -20.010 633 2HD2 ASN 81 HD22 ASN 81 -18.014 -20.017 -19.610 634 H GLY 82 HN GLY 82 -18.128 -14.580 -21.818 635 1HA GLY 82 HA2 GLY 82 -18.671 -12.332 -22.021 636 2HA GLY 82 HA1 GLY 82 -19.080 -12.276 -20.311 637 H PHE 83 HN PHE 83 -16.402 -13.505 -19.591 638 HA PHE 83 HA PHE 83 -14.911 -11.067 -19.294 639 1HB PHE 83 HB2 PHE 83 -14.302 -13.981 -18.750 640 2HB PHE 83 HB1 PHE 83 -13.154 -12.700 -18.388 641 HD1 PHE 83 HD1 PHE 83 -13.622 -11.042 -16.600 642 HD2 PHE 83 HD2 PHE 83 -16.374 -14.230 -17.438 643 HE1 PHE 83 HE1 PHE 83 -14.794 -10.606 -14.459 644 HE2 PHE 83 HE2 PHE 83 -17.542 -13.788 -15.301 645 HZ PHE 83 HZ PHE 83 -16.751 -11.976 -13.810 646 H THR 84 HN THR 84 -12.945 -10.505 -20.228 647 HA THR 84 HA THR 84 -12.074 -11.986 -22.644 648 HB THR 84 HB THR 84 -12.474 -8.972 -22.461 649 HG1 THR 84 HG1 THR 84 -14.270 -9.282 -23.619 650 1HG2 THR 84 HG21 THR 84 -12.030 -9.056 -24.896 651 2HG2 THR 84 HG22 THR 84 -11.703 -10.782 -24.774 652 3HG2 THR 84 HG23 THR 84 -10.641 -9.623 -23.977 653 H CYS 85 HN CYS 85 -9.980 -12.452 -22.389 654 HA CYS 85 HA CYS 85 -8.261 -10.751 -20.658 655 1HB CYS 85 HB2 CYS 85 -7.838 -13.615 -21.604 656 2HB CYS 85 HB1 CYS 85 -6.795 -12.725 -20.491 657 HG CYS 85 HG CYS 85 -8.427 -13.099 -18.641 658 H GLU 86 HN GLU 86 -6.345 -9.791 -21.635 659 HA GLU 86 HA GLU 86 -6.126 -10.140 -24.572 660 1HB GLU 86 HB2 GLU 86 -6.530 -7.833 -23.724 661 2HB GLU 86 HB1 GLU 86 -5.039 -7.922 -22.789 662 1HG GLU 86 HG2 GLU 86 -3.740 -8.216 -24.880 663 2HG GLU 86 HG1 GLU 86 -5.232 -8.165 -25.814 664 H ALA 87 HN ALA 87 -4.177 -10.812 -25.443 665 HA ALA 87 HA ALA 87 -1.825 -11.188 -23.686 666 1HB ALA 87 HB1 ALA 87 -3.104 -13.410 -25.310 667 2HB ALA 87 HB2 ALA 87 -3.067 -13.302 -23.551 668 3HB ALA 87 HB3 ALA 87 -1.567 -13.529 -24.452 669 H ASP 88 HN ASP 88 0.159 -11.347 -24.845 670 HA ASP 88 HA ASP 88 0.233 -11.438 -27.700 671 1HB ASP 88 HB2 ASP 88 -0.575 -9.084 -27.309 672 2HB ASP 88 HB1 ASP 88 0.906 -8.751 -26.427 673 H THR 89 HN THR 89 2.340 -11.938 -28.379 674 HA THR 89 HA THR 89 4.248 -12.611 -26.302 675 HB THR 89 HB THR 89 4.560 -12.727 -29.325 676 HG1 THR 89 HG1 THR 89 3.973 -14.970 -28.894 677 1HG2 THR 89 HG21 THR 89 5.999 -14.138 -27.045 678 2HG2 THR 89 HG22 THR 89 6.696 -12.967 -28.165 679 3HG2 THR 89 HG23 THR 89 6.184 -14.547 -28.749 680 H LEU 90 HN LEU 90 3.655 -9.892 -28.338 681 HA LEU 90 HA LEU 90 4.688 -7.896 -28.595 682 1HB LEU 90 HB2 LEU 90 6.391 -8.661 -26.188 683 2HB LEU 90 HB1 LEU 90 6.102 -7.040 -26.808 684 HG LEU 90 HG LEU 90 3.941 -8.872 -25.695 685 1HD1 LEU 90 HD11 LEU 90 3.941 -7.370 -23.745 686 2HD1 LEU 90 HD12 LEU 90 5.255 -6.430 -24.452 687 3HD1 LEU 90 HD13 LEU 90 5.532 -8.097 -23.955 688 1HD2 LEU 90 HD21 LEU 90 2.640 -6.623 -25.641 689 2HD2 LEU 90 HD22 LEU 90 2.865 -7.354 -27.215 690 3HD2 LEU 90 HD23 LEU 90 3.883 -6.003 -26.726 691 H GLY 91 HN GLY 91 5.923 -10.656 -29.419 692 1HA GLY 91 HA2 GLY 91 7.525 -11.209 -30.984 693 2HA GLY 91 HA1 GLY 91 8.070 -9.535 -30.999 694 H SER 92 HN SER 92 7.803 -10.865 -27.889 695 HA SER 92 HA SER 92 10.544 -10.583 -27.280 696 1HB SER 92 HB2 SER 92 9.969 -11.512 -25.123 697 2HB SER 92 HB1 SER 92 8.604 -10.528 -25.648 698 HG SER 92 HG SER 92 7.471 -12.279 -25.466 699 H CYS 93 HN CYS 93 10.589 -13.224 -25.752 700 HA CYS 93 HA CYS 93 10.744 -15.336 -27.613 701 1HB CYS 93 HB2 CYS 93 13.232 -15.584 -27.651 702 2HB CYS 93 HB1 CYS 93 12.680 -14.137 -28.490 703 HG CYS 93 HG CYS 93 13.899 -14.074 -25.608 704 H GLY 94 HN GLY 94 9.966 -16.819 -26.237 705 1HA GLY 94 HA2 GLY 94 10.050 -18.419 -24.568 706 2HA GLY 94 HA1 GLY 94 11.558 -17.720 -23.988 707 H TYR 95 HN TYR 95 9.738 -15.092 -24.173 708 HA TYR 95 HA TYR 95 8.610 -15.320 -21.419 709 1HB TYR 95 HB2 TYR 95 9.752 -12.919 -22.891 710 2HB TYR 95 HB1 TYR 95 8.943 -12.836 -21.327 711 HD1 TYR 95 HD1 TYR 95 12.141 -13.374 -22.915 712 HD2 TYR 95 HD2 TYR 95 9.810 -14.417 -19.444 713 HE1 TYR 95 HE1 TYR 95 14.206 -14.031 -21.712 714 HE2 TYR 95 HE2 TYR 95 11.879 -15.072 -18.251 715 HH TYR 95 HH TYR 95 15.054 -14.450 -19.601 716 H VAL 96 HN VAL 96 6.546 -14.636 -21.087 717 HA VAL 96 HA VAL 96 4.948 -13.542 -23.353 718 HB VAL 96 HB VAL 96 4.084 -15.792 -21.493 719 1HG1 VAL 96 HG11 VAL 96 2.215 -14.382 -22.266 720 2HG1 VAL 96 HG12 VAL 96 2.163 -15.940 -23.083 721 3HG1 VAL 96 HG13 VAL 96 2.777 -14.523 -23.930 722 1HG2 VAL 96 HG21 VAL 96 4.217 -17.207 -23.549 723 2HG2 VAL 96 HG22 VAL 96 5.796 -16.593 -23.065 724 3HG2 VAL 96 HG23 VAL 96 4.936 -15.850 -24.416 725 H TYR 97 HN TYR 97 3.575 -11.939 -22.733 726 HA TYR 97 HA TYR 97 3.154 -11.420 -19.822 727 1HB TYR 97 HB2 TYR 97 3.457 -9.232 -21.926 728 2HB TYR 97 HB1 TYR 97 3.428 -9.057 -20.175 729 HD1 TYR 97 HD1 TYR 97 5.404 -10.365 -23.052 730 HD2 TYR 97 HD2 TYR 97 5.450 -9.457 -18.844 731 HE1 TYR 97 HE1 TYR 97 7.858 -10.673 -23.011 732 HE2 TYR 97 HE2 TYR 97 7.909 -9.774 -18.810 733 HH TYR 97 HH TYR 97 9.761 -9.927 -20.144 734 H ILE 98 HN ILE 98 1.100 -10.947 -19.265 735 HA ILE 98 HA ILE 98 -0.936 -10.512 -21.368 736 HB ILE 98 HB ILE 98 -2.429 -12.166 -20.315 737 1HG1 ILE 98 HG12 ILE 98 -0.024 -12.918 -18.591 738 2HG1 ILE 98 HG11 ILE 98 -1.434 -12.059 -17.993 739 1HG2 ILE 98 HG21 ILE 98 -0.890 -12.844 -22.185 740 2HG2 ILE 98 HG22 ILE 98 -1.297 -14.184 -21.128 741 3HG2 ILE 98 HG23 ILE 98 0.273 -13.399 -20.985 742 1HD1 ILE 98 HD11 ILE 98 -1.736 -14.376 -17.441 743 2HD1 ILE 98 HD12 ILE 98 -1.355 -14.877 -19.085 744 3HD1 ILE 98 HD13 ILE 98 -2.855 -14.012 -18.754 745 H ALA 99 HN ALA 99 -2.999 -9.819 -20.443 746 HA ALA 99 HA ALA 99 -2.953 -8.633 -17.766 747 1HB ALA 99 HB1 ALA 99 -3.315 -6.907 -20.247 748 2HB ALA 99 HB2 ALA 99 -1.897 -6.882 -19.199 749 3HB ALA 99 HB3 ALA 99 -3.467 -6.373 -18.577 750 H VAL 100 HN VAL 100 -4.654 -9.485 -17.008 751 HA VAL 100 HA VAL 100 -7.138 -9.908 -18.584 752 HB VAL 100 HB VAL 100 -6.362 -11.777 -17.175 753 1HG1 VAL 100 HG11 VAL 100 -5.192 -10.526 -15.425 754 2HG1 VAL 100 HG12 VAL 100 -6.384 -11.603 -14.720 755 3HG1 VAL 100 HG13 VAL 100 -6.721 -9.889 -14.827 756 1HG2 VAL 100 HG21 VAL 100 -8.482 -12.239 -16.068 757 2HG2 VAL 100 HG22 VAL 100 -8.847 -11.311 -17.520 758 3HG2 VAL 100 HG23 VAL 100 -8.864 -10.520 -15.946 759 H TYR 101 HN TYR 101 -8.970 -8.739 -18.249 760 HA TYR 101 HA TYR 101 -9.124 -6.888 -15.964 761 1HB TYR 101 HB2 TYR 101 -8.044 -5.605 -17.797 762 2HB TYR 101 HB1 TYR 101 -9.421 -5.956 -18.842 763 HD1 TYR 101 HD1 TYR 101 -8.288 -4.078 -15.853 764 HD2 TYR 101 HD2 TYR 101 -11.627 -4.912 -18.434 765 HE1 TYR 101 HE1 TYR 101 -9.560 -2.217 -14.816 766 HE2 TYR 101 HE2 TYR 101 -12.886 -3.048 -17.400 767 HH TYR 101 HH TYR 101 -12.906 -1.506 -15.815 768 HA PRO 102 HA PRO 102 -13.295 -8.590 -16.524 769 1HB PRO 102 HB2 PRO 102 -14.646 -7.319 -14.514 770 2HB PRO 102 HB1 PRO 102 -13.446 -8.586 -14.178 771 1HG PRO 102 HG2 PRO 102 -13.081 -5.593 -14.109 772 2HG PRO 102 HG1 PRO 102 -12.593 -6.802 -12.897 773 1HD PRO 102 HD2 PRO 102 -10.819 -5.814 -14.728 774 2HD PRO 102 HD1 PRO 102 -10.717 -7.506 -14.164 775 H THR 103 HN THR 103 -15.115 -8.031 -17.671 776 HA THR 103 HA THR 103 -15.217 -5.360 -18.925 777 HB THR 103 HB THR 103 -15.539 -7.179 -20.459 778 HG1 THR 103 HG1 THR 103 -18.163 -6.363 -19.827 779 1HG2 THR 103 HG21 THR 103 -16.077 -8.991 -18.943 780 2HG2 THR 103 HG22 THR 103 -17.393 -8.834 -20.098 781 3HG2 THR 103 HG23 THR 103 -17.587 -8.216 -18.465 782 H GLN 104 HN GLN 104 -16.959 -3.967 -18.762 783 HA GLN 104 HA GLN 104 -18.349 -3.936 -16.244 784 1HB GLN 104 HB2 GLN 104 -18.687 -2.243 -18.744 785 2HB GLN 104 HB1 GLN 104 -19.422 -1.894 -17.177 786 1HG GLN 104 HG2 GLN 104 -17.176 -1.748 -16.153 787 2HG GLN 104 HG1 GLN 104 -16.439 -2.091 -17.717 788 1HE2 GLN 104 HE21 GLN 104 -15.586 -0.150 -18.490 789 2HE2 GLN 104 HE22 GLN 104 -16.397 1.340 -18.463 790 H ARG 105 HN ARG 105 -19.982 -5.343 -15.869 791 HA ARG 105 HA ARG 105 -22.394 -5.263 -17.405 792 1HB ARG 105 HB2 ARG 105 -20.996 -6.716 -18.890 793 2HB ARG 105 HB1 ARG 105 -20.802 -7.851 -17.558 794 1HG ARG 105 HG2 ARG 105 -23.251 -8.201 -17.484 795 2HG ARG 105 HG1 ARG 105 -23.461 -7.027 -18.783 796 1HD ARG 105 HD2 ARG 105 -23.522 -9.288 -19.715 797 2HD ARG 105 HD1 ARG 105 -22.059 -8.473 -20.262 798 HE ARG 105 HE ARG 105 -20.807 -10.029 -19.085 799 1HH1 ARG 105 HH21 ARG 105 -24.076 -10.021 -17.909 800 2HH1 ARG 105 HH22 ARG 105 -23.847 -11.391 -16.876 801 1HH2 ARG 105 HH11 ARG 105 -20.516 -11.818 -17.730 802 2HH2 ARG 105 HH12 ARG 105 -21.834 -12.407 -16.774 Start of MODEL 9 1 1H MET 1 HT1 MET 1 2.355 -1.659 -3.365 2 2H MET 1 HT2 MET 1 2.168 0.030 -3.341 3 3H MET 1 HT3 MET 1 3.617 -0.675 -2.803 4 HA MET 1 HA MET 1 3.371 -1.647 -5.328 5 1HB MET 1 HB2 MET 1 2.521 1.272 -5.196 6 2HB MET 1 HB1 MET 1 2.984 0.437 -6.676 7 1HG MET 1 HG2 MET 1 1.152 -1.185 -6.349 8 2HG MET 1 HG1 MET 1 0.676 -0.353 -4.870 9 1HE MET 1 HE1 MET 1 -1.034 2.824 -5.918 10 2HE MET 1 HE2 MET 1 0.395 2.427 -4.973 11 3HE MET 1 HE3 MET 1 -1.060 1.451 -4.804 12 H SER 2 HN SER 2 4.260 1.492 -3.861 13 HA SER 2 HA SER 2 6.271 2.581 -3.676 14 1HB SER 2 HB2 SER 2 7.371 -0.240 -3.498 15 2HB SER 2 HB1 SER 2 8.161 1.227 -2.929 16 HG SER 2 HG SER 2 7.136 0.762 -1.146 17 H ASN 3 HN ASN 3 5.368 2.161 -6.318 18 HA ASN 3 HA ASN 3 6.072 2.484 -8.469 19 1HB ASN 3 HB2 ASN 3 7.868 3.908 -7.326 20 2HB ASN 3 HB1 ASN 3 8.944 2.529 -7.461 21 1HD2 ASN 3 HD21 ASN 3 10.352 3.019 -9.144 22 2HD2 ASN 3 HD22 ASN 3 9.871 3.578 -10.673 23 H THR 4 HN THR 4 8.168 0.246 -6.632 24 HA THR 4 HA THR 4 9.009 -1.373 -8.730 25 HB THR 4 HB THR 4 8.384 -2.254 -5.885 26 HG1 THR 4 HG1 THR 4 10.574 -0.946 -7.086 27 1HG2 THR 4 HG21 THR 4 8.834 -4.160 -7.366 28 2HG2 THR 4 HG22 THR 4 10.227 -3.880 -6.325 29 3HG2 THR 4 HG23 THR 4 10.269 -3.353 -8.006 30 H THR 5 HN THR 5 7.289 -1.815 -10.198 31 HA THR 5 HA THR 5 4.953 -3.331 -9.174 32 HB THR 5 HB THR 5 5.396 -2.080 -11.919 33 HG1 THR 5 HG1 THR 5 4.486 -0.338 -11.143 34 1HG2 THR 5 HG21 THR 5 3.733 -3.893 -11.944 35 2HG2 THR 5 HG22 THR 5 2.928 -2.335 -12.091 36 3HG2 THR 5 HG23 THR 5 2.918 -3.185 -10.549 37 H TRP 6 HN TRP 6 4.907 -5.472 -9.461 38 HA TRP 6 HA TRP 6 6.937 -7.070 -10.474 39 1HB TRP 6 HB2 TRP 6 3.962 -7.655 -10.382 40 2HB TRP 6 HB1 TRP 6 5.240 -8.854 -10.571 41 HD1 TRP 6 HD1 TRP 6 3.392 -6.935 -7.949 42 HE1 TRP 6 HE1 TRP 6 4.389 -7.429 -5.625 43 HE3 TRP 6 HE3 TRP 6 7.679 -9.344 -9.324 44 HZ2 TRP 6 HZ2 TRP 6 6.701 -8.674 -4.500 45 HZ3 TRP 6 HZ3 TRP 6 9.263 -10.168 -7.606 46 HH2 TRP 6 HH2 TRP 6 8.779 -9.836 -5.196 47 H GLY 7 HN GLY 7 3.802 -7.063 -12.137 48 1HA GLY 7 HA2 GLY 7 4.897 -7.752 -14.654 49 2HA GLY 7 HA1 GLY 7 3.257 -7.185 -14.359 50 H LEU 8 HN LEU 8 3.450 -6.025 -16.356 51 HA LEU 8 HA LEU 8 5.364 -4.028 -16.873 52 1HB LEU 8 HB2 LEU 8 2.450 -4.026 -17.749 53 2HB LEU 8 HB1 LEU 8 3.791 -3.218 -18.557 54 HG LEU 8 HG LEU 8 3.463 -6.228 -18.233 55 1HD1 LEU 8 HD11 LEU 8 3.071 -6.209 -20.668 56 2HD1 LEU 8 HD12 LEU 8 3.204 -4.450 -20.683 57 3HD1 LEU 8 HD13 LEU 8 1.869 -5.227 -19.829 58 1HD2 LEU 8 HD21 LEU 8 5.815 -5.867 -18.321 59 2HD2 LEU 8 HD22 LEU 8 5.672 -4.537 -19.468 60 3HD2 LEU 8 HD23 LEU 8 5.388 -6.193 -19.995 61 H GLN 9 HN GLN 9 5.344 -1.809 -16.616 62 HA GLN 9 HA GLN 9 4.065 -0.889 -14.131 63 1HB GLN 9 HB2 GLN 9 6.493 -0.447 -14.618 64 2HB GLN 9 HB1 GLN 9 6.009 0.592 -15.956 65 1HG GLN 9 HG2 GLN 9 4.757 2.040 -14.401 66 2HG GLN 9 HG1 GLN 9 5.173 0.984 -13.055 67 1HE2 GLN 9 HE21 GLN 9 6.191 2.956 -12.099 68 2HE2 GLN 9 HE22 GLN 9 7.753 3.399 -12.594 69 H ARG 10 HN ARG 10 2.002 -0.152 -14.368 70 HA ARG 10 HA ARG 10 1.493 1.880 -16.445 71 1HB ARG 10 HB2 ARG 10 -0.309 -0.505 -15.819 72 2HB ARG 10 HB1 ARG 10 -0.790 0.855 -16.834 73 1HG ARG 10 HG2 ARG 10 1.037 0.352 -18.404 74 2HG ARG 10 HG1 ARG 10 1.555 -0.992 -17.393 75 1HD ARG 10 HD2 ARG 10 -0.635 -2.081 -17.699 76 2HD ARG 10 HD1 ARG 10 -1.141 -0.753 -18.746 77 HE ARG 10 HE ARG 10 1.180 -1.628 -19.905 78 1HH1 ARG 10 HH21 ARG 10 -1.754 -3.150 -18.865 79 2HH1 ARG 10 HH22 ARG 10 -1.723 -4.368 -20.096 80 1HH2 ARG 10 HH11 ARG 10 1.232 -3.228 -21.513 81 2HH2 ARG 10 HH12 ARG 10 -0.028 -4.414 -21.594 82 H ASP 11 HN ASP 11 0.414 3.604 -15.671 83 HA ASP 11 HA ASP 11 0.116 3.962 -12.911 84 1HB ASP 11 HB2 ASP 11 0.528 5.792 -14.455 85 2HB ASP 11 HB1 ASP 11 -1.065 5.591 -15.175 86 H ILE 12 HN ILE 12 -2.060 3.156 -15.546 87 HA ILE 12 HA ILE 12 -4.563 3.576 -14.359 88 HB ILE 12 HB ILE 12 -3.861 1.438 -16.431 89 1HG1 ILE 12 HG12 ILE 12 -4.806 4.312 -16.908 90 2HG1 ILE 12 HG11 ILE 12 -3.132 3.792 -17.059 91 1HG2 ILE 12 HG21 ILE 12 -6.242 1.718 -17.130 92 2HG2 ILE 12 HG22 ILE 12 -6.487 2.836 -15.799 93 3HG2 ILE 12 HG23 ILE 12 -6.109 1.151 -15.468 94 1HD1 ILE 12 HD11 ILE 12 -5.466 2.737 -18.697 95 2HD1 ILE 12 HD12 ILE 12 -3.810 2.139 -18.803 96 3HD1 ILE 12 HD13 ILE 12 -4.182 3.798 -19.272 97 H THR 13 HN THR 13 -5.577 2.600 -12.743 98 HA THR 13 HA THR 13 -4.540 0.165 -11.524 99 HB THR 13 HB THR 13 -7.147 1.200 -10.490 100 HG1 THR 13 HG1 THR 13 -4.957 2.890 -10.110 101 1HG2 THR 13 HG21 THR 13 -5.618 -0.341 -9.247 102 2HG2 THR 13 HG22 THR 13 -6.012 1.132 -8.357 103 3HG2 THR 13 HG23 THR 13 -4.444 0.970 -9.147 104 HA PRO 14 HA PRO 14 -9.314 -0.999 -13.279 105 1HB PRO 14 HB2 PRO 14 -8.332 0.252 -15.848 106 2HB PRO 14 HB1 PRO 14 -9.996 -0.058 -15.303 107 1HG PRO 14 HG2 PRO 14 -8.884 2.388 -15.098 108 2HG PRO 14 HG1 PRO 14 -10.024 1.779 -13.883 109 1HD PRO 14 HD2 PRO 14 -7.134 2.268 -13.569 110 2HD PRO 14 HD1 PRO 14 -8.327 1.983 -12.310 111 H ARG 15 HN ARG 15 -6.142 -0.854 -14.857 112 HA ARG 15 HA ARG 15 -6.470 -3.536 -16.015 113 1HB ARG 15 HB2 ARG 15 -4.149 -1.582 -16.235 114 2HB ARG 15 HB1 ARG 15 -4.332 -3.081 -17.149 115 1HG ARG 15 HG2 ARG 15 -6.442 -2.213 -18.133 116 2HG ARG 15 HG1 ARG 15 -6.221 -0.708 -17.243 117 1HD ARG 15 HD2 ARG 15 -5.404 -0.364 -19.499 118 2HD ARG 15 HD1 ARG 15 -3.998 -0.427 -18.436 119 HE ARG 15 HE ARG 15 -4.507 -3.038 -19.353 120 1HH1 ARG 15 HH21 ARG 15 -3.545 0.069 -20.558 121 2HH1 ARG 15 HH22 ARG 15 -2.645 -0.577 -21.890 122 1HH2 ARG 15 HH11 ARG 15 -3.341 -3.881 -21.108 123 2HH2 ARG 15 HH12 ARG 15 -2.527 -2.810 -22.198 124 H LEU 16 HN LEU 16 -5.405 -5.319 -15.326 125 HA LEU 16 HA LEU 16 -3.588 -5.079 -12.964 126 1HB LEU 16 HB2 LEU 16 -6.055 -6.122 -12.769 127 2HB LEU 16 HB1 LEU 16 -5.298 -7.533 -13.491 128 HG LEU 16 HG LEU 16 -4.444 -6.163 -10.920 129 1HD1 LEU 16 HD11 LEU 16 -6.527 -7.483 -10.734 130 2HD1 LEU 16 HD12 LEU 16 -5.213 -8.251 -9.845 131 3HD1 LEU 16 HD13 LEU 16 -5.702 -8.883 -11.418 132 1HD2 LEU 16 HD21 LEU 16 -3.229 -8.485 -12.447 133 2HD2 LEU 16 HD22 LEU 16 -2.937 -8.232 -10.725 134 3HD2 LEU 16 HD23 LEU 16 -2.448 -7.009 -11.891 135 H GLY 17 HN GLY 17 -1.639 -5.512 -13.522 136 1HA GLY 17 HA2 GLY 17 -0.883 -6.994 -15.903 137 2HA GLY 17 HA1 GLY 17 0.201 -6.265 -14.721 138 H ALA 18 HN ALA 18 0.462 -8.899 -15.853 139 HA ALA 18 HA ALA 18 0.838 -10.416 -13.421 140 1HB ALA 18 HB1 ALA 18 -1.578 -10.801 -13.783 141 2HB ALA 18 HB2 ALA 18 -0.649 -12.279 -14.026 142 3HB ALA 18 HB3 ALA 18 -1.243 -11.372 -15.419 143 H ARG 19 HN ARG 19 2.943 -9.962 -14.657 144 HA ARG 19 HA ARG 19 3.382 -11.412 -17.087 145 1HB ARG 19 HB2 ARG 19 4.699 -9.377 -16.474 146 2HB ARG 19 HB1 ARG 19 5.402 -10.248 -15.110 147 1HG ARG 19 HG2 ARG 19 6.408 -11.885 -16.719 148 2HG ARG 19 HG1 ARG 19 5.729 -10.951 -18.052 149 1HD ARG 19 HD2 ARG 19 8.065 -10.317 -17.695 150 2HD ARG 19 HD1 ARG 19 7.020 -8.963 -17.263 151 HE ARG 19 HE ARG 19 7.524 -10.538 -14.964 152 1HH1 ARG 19 HH21 ARG 19 9.095 -8.393 -17.191 153 2HH1 ARG 19 HH22 ARG 19 10.256 -7.826 -16.040 154 1HH2 ARG 19 HH11 ARG 19 9.049 -9.797 -13.453 155 2HH2 ARG 19 HH12 ARG 19 10.230 -8.621 -13.924 156 H LEU 20 HN LEU 20 3.933 -13.451 -17.354 157 HA LEU 20 HA LEU 20 4.724 -15.106 -15.003 158 1HB LEU 20 HB2 LEU 20 3.218 -15.967 -17.502 159 2HB LEU 20 HB1 LEU 20 3.559 -16.952 -16.078 160 HG LEU 20 HG LEU 20 1.816 -14.462 -16.144 161 1HD1 LEU 20 HD11 LEU 20 0.806 -16.431 -17.248 162 2HD1 LEU 20 HD12 LEU 20 -0.041 -16.032 -15.755 163 3HD1 LEU 20 HD13 LEU 20 1.085 -17.390 -15.792 164 1HD2 LEU 20 HD21 LEU 20 2.642 -14.435 -13.970 165 2HD2 LEU 20 HD22 LEU 20 2.791 -16.183 -13.866 166 3HD2 LEU 20 HD23 LEU 20 1.203 -15.422 -13.761 167 H VAL 21 HN VAL 21 6.169 -16.768 -15.357 168 HA VAL 21 HA VAL 21 8.115 -16.245 -17.542 169 HB VAL 21 HB VAL 21 9.648 -17.674 -16.091 170 1HG1 VAL 21 HG11 VAL 21 9.981 -15.938 -14.353 171 2HG1 VAL 21 HG12 VAL 21 8.392 -15.266 -14.727 172 3HG1 VAL 21 HG13 VAL 21 9.677 -15.207 -15.932 173 1HG2 VAL 21 HG21 VAL 21 7.348 -17.477 -14.105 174 2HG2 VAL 21 HG22 VAL 21 8.949 -18.119 -13.760 175 3HG2 VAL 21 HG23 VAL 21 7.898 -18.951 -14.893 176 H GLN 22 HN GLN 22 8.563 -17.754 -19.037 177 HA GLN 22 HA GLN 22 6.715 -19.977 -19.340 178 1HB GLN 22 HB2 GLN 22 7.410 -18.536 -21.260 179 2HB GLN 22 HB1 GLN 22 9.062 -19.141 -21.104 180 1HG GLN 22 HG2 GLN 22 6.678 -20.999 -21.532 181 2HG GLN 22 HG1 GLN 22 7.576 -20.300 -22.867 182 1HE2 GLN 22 HE21 GLN 22 7.361 -23.153 -21.325 183 2HE2 GLN 22 HE22 GLN 22 8.980 -23.662 -21.379 184 H GLU 23 HN GLU 23 7.112 -22.014 -18.839 185 HA GLU 23 HA GLU 23 9.782 -23.154 -18.709 186 1HB GLU 23 HB2 GLU 23 9.512 -23.845 -16.272 187 2HB GLU 23 HB1 GLU 23 9.857 -22.140 -16.542 188 1HG GLU 23 HG2 GLU 23 7.453 -21.606 -16.292 189 2HG GLU 23 HG1 GLU 23 7.104 -23.304 -16.011 190 H GLY 24 HN GLY 24 9.556 -25.199 -19.477 191 1HA GLY 24 HA2 GLY 24 8.678 -27.265 -19.945 192 2HA GLY 24 HA1 GLY 24 7.646 -27.068 -18.529 193 H ASN 25 HN ASN 25 5.788 -27.875 -19.519 194 HA ASN 25 HA ASN 25 4.704 -26.383 -21.844 195 1HB ASN 25 HB2 ASN 25 3.910 -29.055 -20.650 196 2HB ASN 25 HB1 ASN 25 3.177 -28.313 -22.070 197 1HD2 ASN 25 HD21 ASN 25 5.422 -30.615 -21.232 198 2HD2 ASN 25 HD22 ASN 25 6.422 -30.541 -22.603 199 H GLN 26 HN GLN 26 4.726 -25.825 -18.761 200 HA GLN 26 HA GLN 26 1.867 -25.023 -18.597 201 1HB GLN 26 HB2 GLN 26 3.435 -26.178 -16.245 202 2HB GLN 26 HB1 GLN 26 1.739 -25.700 -16.277 203 1HG GLN 26 HG2 GLN 26 1.669 -28.072 -16.518 204 2HG GLN 26 HG1 GLN 26 1.442 -27.480 -18.160 205 1HE2 GLN 26 HE21 GLN 26 2.302 -29.921 -18.357 206 2HE2 GLN 26 HE22 GLN 26 3.980 -30.067 -18.567 207 H LEU 27 HN LEU 27 1.494 -23.088 -17.647 208 HA LEU 27 HA LEU 27 3.816 -21.299 -17.268 209 1HB LEU 27 HB2 LEU 27 0.835 -20.667 -17.245 210 2HB LEU 27 HB1 LEU 27 2.167 -19.523 -17.432 211 HG LEU 27 HG LEU 27 1.404 -21.728 -19.391 212 1HD1 LEU 27 HD11 LEU 27 0.764 -19.860 -20.858 213 2HD1 LEU 27 HD12 LEU 27 1.163 -18.710 -19.583 214 3HD1 LEU 27 HD13 LEU 27 -0.173 -19.844 -19.364 215 1HD2 LEU 27 HD21 LEU 27 3.087 -20.445 -20.891 216 2HD2 LEU 27 HD22 LEU 27 3.764 -21.468 -19.637 217 3HD2 LEU 27 HD23 LEU 27 3.693 -19.721 -19.398 218 H HIS 28 HN HIS 28 4.485 -20.645 -15.335 219 HA HIS 28 HA HIS 28 3.166 -21.689 -12.935 220 1HB HIS 28 HB2 HIS 28 5.716 -21.673 -13.408 221 2HB HIS 28 HB1 HIS 28 5.673 -19.961 -13.018 222 HD1 HIS 28 HD1 HIS 28 3.136 -20.946 -10.954 223 HD2 HIS 28 HD2 HIS 28 7.215 -21.787 -10.796 224 HE1 HIS 28 HE1 HIS 28 3.627 -21.625 -8.571 225 HE2 HIS 28 HE2 HIS 28 6.111 -22.143 -8.452 226 H TYR 29 HN TYR 29 1.590 -20.490 -12.002 227 HA TYR 29 HA TYR 29 1.590 -17.540 -12.300 228 1HB TYR 29 HB2 TYR 29 -0.492 -18.821 -12.919 229 2HB TYR 29 HB1 TYR 29 -0.597 -19.388 -11.253 230 HD1 TYR 29 HD1 TYR 29 -1.078 -17.800 -9.394 231 HD2 TYR 29 HD2 TYR 29 -0.991 -16.479 -13.489 232 HE1 TYR 29 HE1 TYR 29 -2.173 -15.671 -8.740 233 HE2 TYR 29 HE2 TYR 29 -2.083 -14.360 -12.826 234 HH TYR 29 HH TYR 29 -2.925 -13.713 -9.421 235 H LEU 30 HN LEU 30 2.806 -16.635 -10.774 236 HA LEU 30 HA LEU 30 2.916 -17.744 -8.044 237 1HB LEU 30 HB2 LEU 30 4.471 -15.661 -9.590 238 2HB LEU 30 HB1 LEU 30 4.555 -15.676 -7.832 239 HG LEU 30 HG LEU 30 5.317 -18.042 -7.900 240 1HD1 LEU 30 HD11 LEU 30 5.093 -17.633 -10.903 241 2HD1 LEU 30 HD12 LEU 30 4.304 -18.851 -9.905 242 3HD1 LEU 30 HD13 LEU 30 6.037 -18.935 -10.173 243 1HD2 LEU 30 HD21 LEU 30 7.569 -17.588 -8.822 244 2HD2 LEU 30 HD22 LEU 30 6.977 -16.203 -7.904 245 3HD2 LEU 30 HD23 LEU 30 6.939 -16.175 -9.666 246 H ALA 31 HN ALA 31 1.279 -17.185 -6.755 247 HA ALA 31 HA ALA 31 -0.481 -15.035 -7.078 248 1HB ALA 31 HB1 ALA 31 -1.169 -15.551 -4.764 249 2HB ALA 31 HB2 ALA 31 0.284 -16.532 -4.555 250 3HB ALA 31 HB3 ALA 31 -0.955 -17.026 -5.706 251 H ASP 32 HN ASP 32 2.563 -15.335 -5.352 252 HA ASP 32 HA ASP 32 2.417 -12.834 -3.948 253 1HB ASP 32 HB2 ASP 32 4.806 -14.565 -4.669 254 2HB ASP 32 HB1 ASP 32 4.832 -13.218 -3.531 255 H ARG 33 HN ARG 33 2.824 -13.559 -7.220 256 HA ARG 33 HA ARG 33 4.342 -11.050 -7.777 257 1HB ARG 33 HB2 ARG 33 5.258 -13.300 -8.634 258 2HB ARG 33 HB1 ARG 33 3.873 -13.342 -9.725 259 1HG ARG 33 HG2 ARG 33 4.556 -11.164 -10.679 260 2HG ARG 33 HG1 ARG 33 5.947 -11.121 -9.597 261 1HD ARG 33 HD2 ARG 33 5.433 -13.285 -11.661 262 2HD ARG 33 HD1 ARG 33 6.539 -11.928 -11.875 263 HE ARG 33 HE ARG 33 7.210 -13.264 -9.482 264 1HH1 ARG 33 HH21 ARG 33 7.193 -13.732 -12.915 265 2HH1 ARG 33 HH22 ARG 33 8.538 -14.823 -12.908 266 1HH2 ARG 33 HH11 ARG 33 8.965 -14.693 -9.472 267 2HH2 ARG 33 HH12 ARG 33 9.540 -15.369 -10.959 268 H ALA 34 HN ALA 34 2.016 -10.263 -7.175 269 HA ALA 34 HA ALA 34 0.876 -9.246 -9.559 270 1HB ALA 34 HB1 ALA 34 -0.810 -11.297 -8.064 271 2HB ALA 34 HB2 ALA 34 -0.166 -11.499 -9.691 272 3HB ALA 34 HB3 ALA 34 -1.381 -10.266 -9.374 273 H SER 35 HN SER 35 -1.294 -8.104 -8.958 274 HA SER 35 HA SER 35 -1.289 -7.122 -6.161 275 1HB SER 35 HB2 SER 35 0.138 -5.620 -7.591 276 2HB SER 35 HB1 SER 35 -1.300 -5.254 -8.545 277 HG SER 35 HG SER 35 -1.606 -5.109 -5.805 278 H ILE 36 HN ILE 36 -3.337 -6.689 -5.431 279 HA ILE 36 HA ILE 36 -5.586 -7.388 -7.154 280 HB ILE 36 HB ILE 36 -5.693 -6.362 -4.286 281 1HG1 ILE 36 HG12 ILE 36 -4.109 -8.208 -4.255 282 2HG1 ILE 36 HG11 ILE 36 -5.636 -8.791 -3.612 283 1HG2 ILE 36 HG21 ILE 36 -7.771 -7.679 -4.219 284 2HG2 ILE 36 HG22 ILE 36 -7.529 -8.178 -5.894 285 3HG2 ILE 36 HG23 ILE 36 -7.828 -6.484 -5.513 286 1HD1 ILE 36 HD11 ILE 36 -4.383 -9.369 -6.299 287 2HD1 ILE 36 HD12 ILE 36 -6.107 -9.637 -6.030 288 3HD1 ILE 36 HD13 ILE 36 -4.917 -10.501 -5.064 289 H THR 37 HN THR 37 -7.176 -6.015 -7.876 290 HA THR 37 HA THR 37 -6.889 -3.084 -7.383 291 HB THR 37 HB THR 37 -7.353 -2.717 -9.779 292 HG1 THR 37 HG1 THR 37 -8.371 -4.511 -10.443 293 1HG2 THR 37 HG21 THR 37 -5.144 -3.448 -10.618 294 2HG2 THR 37 HG22 THR 37 -4.987 -4.536 -9.242 295 3HG2 THR 37 HG23 THR 37 -5.019 -2.796 -8.986 296 H GLY 38 HN GLY 38 -8.847 -1.954 -7.367 297 1HA GLY 38 HA2 GLY 38 -11.107 -1.598 -7.232 298 2HA GLY 38 HA1 GLY 38 -11.347 -3.039 -8.219 299 H LYS 39 HN LYS 39 -9.525 -4.237 -5.862 300 HA LYS 39 HA LYS 39 -9.980 -5.635 -4.081 301 1HB LYS 39 HB2 LYS 39 -11.792 -3.337 -3.325 302 2HB LYS 39 HB1 LYS 39 -11.203 -4.581 -2.223 303 1HG LYS 39 HG2 LYS 39 -8.852 -3.861 -2.752 304 2HG LYS 39 HG1 LYS 39 -9.511 -2.524 -3.701 305 1HD LYS 39 HD2 LYS 39 -10.011 -3.004 -0.730 306 2HD LYS 39 HD1 LYS 39 -8.894 -1.818 -1.395 307 1HE LYS 39 HE2 LYS 39 -10.928 -0.815 -2.638 308 2HE LYS 39 HE1 LYS 39 -11.919 -1.796 -1.553 309 1HZ LYS 39 HZ1 LYS 39 -11.250 0.601 -0.878 310 2HZ LYS 39 HZ2 LYS 39 -9.784 -0.125 -0.420 311 3HZ LYS 39 HZ3 LYS 39 -11.244 -0.636 0.283 312 H PHE 40 HN PHE 40 -11.025 -7.346 -5.216 313 HA PHE 40 HA PHE 40 -13.848 -7.380 -5.780 314 1HB PHE 40 HB2 PHE 40 -11.866 -9.647 -5.397 315 2HB PHE 40 HB1 PHE 40 -13.429 -9.730 -6.208 316 HD1 PHE 40 HD1 PHE 40 -13.818 -8.395 -8.331 317 HD2 PHE 40 HD2 PHE 40 -9.907 -8.806 -6.580 318 HE1 PHE 40 HE1 PHE 40 -12.782 -7.667 -10.455 319 HE2 PHE 40 HE2 PHE 40 -8.877 -8.081 -8.712 320 HZ PHE 40 HZ PHE 40 -10.314 -7.511 -10.654 321 H SER 41 HN SER 41 -15.476 -8.084 -4.631 322 HA SER 41 HA SER 41 -15.342 -8.230 -1.760 323 1HB SER 41 HB2 SER 41 -17.726 -8.570 -1.897 324 2HB SER 41 HB1 SER 41 -17.283 -7.332 -3.071 325 HG SER 41 HG SER 41 -17.057 -9.717 -4.224 326 H ASP 42 HN ASP 42 -16.439 -10.086 -0.654 327 HA ASP 42 HA ASP 42 -14.995 -12.525 -1.090 328 1HB ASP 42 HB2 ASP 42 -17.433 -11.936 0.625 329 2HB ASP 42 HB1 ASP 42 -16.451 -13.396 0.714 330 H ALA 43 HN ALA 43 -17.948 -11.294 -2.425 331 HA ALA 43 HA ALA 43 -18.914 -13.973 -3.191 332 1HB ALA 43 HB1 ALA 43 -20.543 -12.280 -2.418 333 2HB ALA 43 HB2 ALA 43 -20.857 -12.759 -4.086 334 3HB ALA 43 HB3 ALA 43 -20.069 -11.218 -3.746 335 H GLU 44 HN GLU 44 -16.824 -11.608 -4.376 336 HA GLU 44 HA GLU 44 -17.094 -12.401 -7.274 337 1HB GLU 44 HB2 GLU 44 -15.883 -9.959 -5.929 338 2HB GLU 44 HB1 GLU 44 -15.809 -10.306 -7.658 339 1HG GLU 44 HG2 GLU 44 -18.262 -10.278 -7.795 340 2HG GLU 44 HG1 GLU 44 -18.370 -9.973 -6.067 341 H CYS 45 HN CYS 45 -14.962 -12.476 -4.485 342 HA CYS 45 HA CYS 45 -12.559 -12.950 -5.970 343 1HB CYS 45 HB2 CYS 45 -13.209 -12.609 -3.223 344 2HB CYS 45 HB1 CYS 45 -12.572 -14.239 -3.300 345 HG CYS 45 HG CYS 45 -10.497 -12.853 -4.701 346 HA PRO 46 HA PRO 46 -13.629 -17.636 -5.112 347 1HB PRO 46 HB2 PRO 46 -16.645 -17.584 -5.043 348 2HB PRO 46 HB1 PRO 46 -15.516 -18.496 -4.013 349 1HG PRO 46 HG2 PRO 46 -16.801 -16.382 -3.037 350 2HG PRO 46 HG1 PRO 46 -15.090 -16.652 -2.628 351 1HD PRO 46 HD2 PRO 46 -16.231 -14.758 -4.726 352 2HD PRO 46 HD1 PRO 46 -14.992 -14.439 -3.485 353 H LYS 47 HN LYS 47 -16.407 -16.118 -6.763 354 HA LYS 47 HA LYS 47 -16.646 -17.918 -8.858 355 1HB LYS 47 HB2 LYS 47 -18.300 -16.147 -8.279 356 2HB LYS 47 HB1 LYS 47 -17.200 -14.943 -8.954 357 1HG LYS 47 HG2 LYS 47 -17.359 -15.972 -11.179 358 2HG LYS 47 HG1 LYS 47 -18.305 -17.305 -10.524 359 1HD LYS 47 HD2 LYS 47 -19.796 -15.722 -11.627 360 2HD LYS 47 HD1 LYS 47 -20.109 -15.706 -9.894 361 1HE LYS 47 HE2 LYS 47 -19.012 -13.586 -9.626 362 2HE LYS 47 HE1 LYS 47 -18.242 -13.694 -11.214 363 1HZ LYS 47 HZ1 LYS 47 -21.059 -13.133 -10.548 364 2HZ LYS 47 HZ2 LYS 47 -20.663 -13.800 -12.059 365 3HZ LYS 47 HZ3 LYS 47 -20.021 -12.297 -11.596 366 H LEU 48 HN LEU 48 -14.727 -14.913 -8.709 367 HA LEU 48 HA LEU 48 -13.826 -14.945 -11.350 368 1HB LEU 48 HB2 LEU 48 -13.571 -12.978 -9.831 369 2HB LEU 48 HB1 LEU 48 -12.376 -13.871 -8.900 370 HG LEU 48 HG LEU 48 -10.903 -13.986 -10.918 371 1HD1 LEU 48 HD11 LEU 48 -13.218 -12.548 -12.231 372 2HD1 LEU 48 HD12 LEU 48 -12.266 -13.907 -12.827 373 3HD1 LEU 48 HD13 LEU 48 -11.571 -12.298 -12.812 374 1HD2 LEU 48 HD21 LEU 48 -11.807 -11.183 -10.207 375 2HD2 LEU 48 HD22 LEU 48 -10.255 -11.619 -10.922 376 3HD2 LEU 48 HD23 LEU 48 -10.653 -12.157 -9.292 377 H ASP 49 HN ASP 49 -12.535 -16.469 -8.441 378 HA ASP 49 HA ASP 49 -10.086 -17.356 -9.537 379 1HB ASP 49 HB2 ASP 49 -11.774 -18.581 -7.328 380 2HB ASP 49 HB1 ASP 49 -10.097 -19.000 -7.665 381 H VAL 50 HN VAL 50 -13.332 -18.430 -10.040 382 HA VAL 50 HA VAL 50 -12.460 -21.028 -11.096 383 HB VAL 50 HB VAL 50 -15.258 -19.817 -10.837 384 1HG1 VAL 50 HG11 VAL 50 -16.008 -22.231 -11.173 385 2HG1 VAL 50 HG12 VAL 50 -14.361 -22.607 -11.672 386 3HG1 VAL 50 HG13 VAL 50 -15.324 -21.468 -12.609 387 1HG2 VAL 50 HG21 VAL 50 -13.866 -21.944 -9.170 388 2HG2 VAL 50 HG22 VAL 50 -15.512 -21.358 -8.934 389 3HG2 VAL 50 HG23 VAL 50 -14.147 -20.281 -8.670 390 H VAL 51 HN VAL 51 -13.262 -17.848 -12.195 391 HA VAL 51 HA VAL 51 -13.752 -18.669 -14.977 392 HB VAL 51 HB VAL 51 -13.527 -15.918 -13.677 393 1HG1 VAL 51 HG11 VAL 51 -14.645 -15.212 -15.917 394 2HG1 VAL 51 HG12 VAL 51 -14.103 -16.765 -16.550 395 3HG1 VAL 51 HG13 VAL 51 -12.921 -15.588 -15.980 396 1HG2 VAL 51 HG21 VAL 51 -15.501 -17.264 -13.008 397 2HG2 VAL 51 HG22 VAL 51 -15.918 -17.494 -14.699 398 3HG2 VAL 51 HG23 VAL 51 -15.975 -15.881 -13.991 399 H PHE 52 HN PHE 52 -11.068 -18.035 -13.000 400 HA PHE 52 HA PHE 52 -9.271 -16.914 -14.917 401 1HB PHE 52 HB2 PHE 52 -9.105 -18.072 -12.181 402 2HB PHE 52 HB1 PHE 52 -7.678 -18.446 -13.133 403 HD1 PHE 52 HD1 PHE 52 -9.359 -15.829 -11.271 404 HD2 PHE 52 HD2 PHE 52 -6.471 -16.551 -14.367 405 HE1 PHE 52 HE1 PHE 52 -8.463 -13.548 -10.962 406 HE2 PHE 52 HE2 PHE 52 -5.571 -14.271 -14.057 407 HZ PHE 52 HZ PHE 52 -6.561 -12.773 -12.349 408 HA PRO 53 HA PRO 53 -7.678 -21.463 -15.636 409 1HB PRO 53 HB2 PRO 53 -9.544 -23.481 -15.087 410 2HB PRO 53 HB1 PRO 53 -8.274 -22.964 -13.956 411 1HG PRO 53 HG2 PRO 53 -11.146 -22.054 -14.078 412 2HG PRO 53 HG1 PRO 53 -10.200 -22.593 -12.669 413 1HD PRO 53 HD2 PRO 53 -10.500 -19.998 -13.063 414 2HD PRO 53 HD1 PRO 53 -8.888 -20.586 -12.629 415 H HIS 54 HN HIS 54 -10.983 -20.405 -16.178 416 HA HIS 54 HA HIS 54 -11.500 -21.904 -18.554 417 1HB HIS 54 HB2 HIS 54 -12.651 -19.373 -17.352 418 2HB HIS 54 HB1 HIS 54 -13.210 -19.952 -18.914 419 HD1 HIS 54 HD1 HIS 54 -13.174 -20.895 -15.251 420 HD2 HIS 54 HD2 HIS 54 -14.793 -22.265 -18.838 421 HE1 HIS 54 HE1 HIS 54 -14.838 -22.708 -14.643 422 HE2 HIS 54 HE2 HIS 54 -15.843 -23.540 -16.819 423 H PHE 55 HN PHE 55 -9.049 -19.851 -18.082 424 HA PHE 55 HA PHE 55 -8.863 -19.002 -20.961 425 1HB PHE 55 HB2 PHE 55 -8.398 -17.411 -18.415 426 2HB PHE 55 HB1 PHE 55 -7.609 -16.974 -19.928 427 HD1 PHE 55 HD1 PHE 55 -8.853 -15.881 -21.714 428 HD2 PHE 55 HD2 PHE 55 -10.916 -17.449 -18.298 429 HE1 PHE 55 HE1 PHE 55 -10.932 -14.748 -22.445 430 HE2 PHE 55 HE2 PHE 55 -12.994 -16.316 -19.015 431 HZ PHE 55 HZ PHE 55 -13.006 -14.967 -21.096 432 H ILE 56 HN ILE 56 -7.121 -19.733 -17.925 433 HA ILE 56 HA ILE 56 -4.586 -19.747 -19.178 434 HB ILE 56 HB ILE 56 -5.441 -21.273 -16.667 435 1HG1 ILE 56 HG12 ILE 56 -4.224 -18.476 -16.893 436 2HG1 ILE 56 HG11 ILE 56 -5.938 -18.773 -16.629 437 1HG2 ILE 56 HG21 ILE 56 -2.713 -20.323 -17.627 438 2HG2 ILE 56 HG22 ILE 56 -3.255 -21.996 -17.563 439 3HG2 ILE 56 HG23 ILE 56 -3.024 -21.096 -16.075 440 1HD1 ILE 56 HD11 ILE 56 -5.410 -20.004 -14.550 441 2HD1 ILE 56 HD12 ILE 56 -4.831 -18.342 -14.495 442 3HD1 ILE 56 HD13 ILE 56 -3.700 -19.655 -14.786 443 H SER 57 HN SER 57 -6.973 -22.278 -18.545 444 HA SER 57 HA SER 57 -5.540 -24.536 -19.399 445 1HB SER 57 HB2 SER 57 -7.745 -25.535 -19.795 446 2HB SER 57 HB1 SER 57 -7.721 -24.635 -18.281 447 HG SER 57 HG SER 57 -9.368 -24.324 -20.287 448 H GLN 58 HN GLN 58 -7.462 -22.196 -21.269 449 HA GLN 58 HA GLN 58 -7.208 -23.536 -23.784 450 1HB GLN 58 HB2 GLN 58 -7.714 -20.601 -23.149 451 2HB GLN 58 HB1 GLN 58 -7.942 -21.351 -24.733 452 1HG GLN 58 HG2 GLN 58 -9.631 -22.870 -23.780 453 2HG GLN 58 HG1 GLN 58 -9.407 -22.137 -22.194 454 1HE2 GLN 58 HE21 GLN 58 -11.732 -22.166 -24.298 455 2HE2 GLN 58 HE22 GLN 58 -12.187 -20.533 -24.374 456 H ILE 59 HN ILE 59 -5.519 -20.607 -22.547 457 HA ILE 59 HA ILE 59 -3.735 -20.370 -24.697 458 HB ILE 59 HB ILE 59 -3.752 -19.440 -21.815 459 1HG1 ILE 59 HG12 ILE 59 -3.468 -17.187 -22.903 460 2HG1 ILE 59 HG11 ILE 59 -3.428 -17.975 -24.475 461 1HG2 ILE 59 HG21 ILE 59 -1.254 -19.337 -23.565 462 2HG2 ILE 59 HG22 ILE 59 -1.407 -20.004 -21.941 463 3HG2 ILE 59 HG23 ILE 59 -1.507 -18.266 -22.178 464 1HD1 ILE 59 HD11 ILE 59 -5.739 -18.036 -22.515 465 2HD1 ILE 59 HD12 ILE 59 -5.721 -18.855 -24.073 466 3HD1 ILE 59 HD13 ILE 59 -5.665 -17.101 -23.995 467 H GLU 60 HN GLU 60 -3.357 -22.212 -21.660 468 HA GLU 60 HA GLU 60 -0.781 -23.129 -22.036 469 1HB GLU 60 HB2 GLU 60 -2.201 -23.523 -20.018 470 2HB GLU 60 HB1 GLU 60 -3.109 -24.741 -20.917 471 1HG GLU 60 HG2 GLU 60 -1.027 -26.051 -21.238 472 2HG GLU 60 HG1 GLU 60 -0.122 -24.822 -20.360 473 H SER 61 HN SER 61 -3.762 -24.306 -23.499 474 HA SER 61 HA SER 61 -2.474 -26.554 -24.800 475 1HB SER 61 HB2 SER 61 -4.652 -27.020 -25.781 476 2HB SER 61 HB1 SER 61 -4.940 -26.505 -24.122 477 HG SER 61 HG SER 61 -5.662 -24.583 -24.833 478 H MET 62 HN MET 62 -3.278 -23.257 -25.682 479 HA MET 62 HA MET 62 -2.967 -23.414 -28.487 480 1HB MET 62 HB2 MET 62 -2.287 -21.188 -26.536 481 2HB MET 62 HB1 MET 62 -2.259 -20.991 -28.272 482 1HG MET 62 HG2 MET 62 -4.727 -21.937 -26.796 483 2HG MET 62 HG1 MET 62 -4.420 -20.239 -27.125 484 1HE MET 62 HE1 MET 62 -5.063 -19.083 -29.201 485 2HE MET 62 HE2 MET 62 -4.851 -19.761 -30.811 486 3HE MET 62 HE3 MET 62 -3.473 -19.637 -29.729 487 H LEU 63 HN LEU 63 -0.575 -23.420 -25.927 488 HA LEU 63 HA LEU 63 1.688 -22.859 -27.509 489 1HB LEU 63 HB2 LEU 63 1.579 -24.656 -25.058 490 2HB LEU 63 HB1 LEU 63 3.007 -23.810 -25.664 491 HG LEU 63 HG LEU 63 0.485 -22.489 -24.601 492 1HD1 LEU 63 HD11 LEU 63 3.252 -22.718 -23.393 493 2HD1 LEU 63 HD12 LEU 63 1.812 -23.579 -22.844 494 3HD1 LEU 63 HD13 LEU 63 1.901 -21.824 -22.700 495 1HD2 LEU 63 HD21 LEU 63 1.375 -20.941 -26.172 496 2HD2 LEU 63 HD22 LEU 63 3.044 -21.344 -25.769 497 3HD2 LEU 63 HD23 LEU 63 2.064 -20.412 -24.643 498 H THR 64 HN THR 64 -0.036 -25.835 -26.864 499 HA THR 64 HA THR 64 1.798 -27.443 -28.556 500 HB THR 64 HB THR 64 -0.738 -28.313 -27.125 501 HG1 THR 64 HG1 THR 64 0.777 -27.430 -25.681 502 1HG2 THR 64 HG21 THR 64 1.703 -29.833 -28.130 503 2HG2 THR 64 HG22 THR 64 0.101 -29.859 -28.866 504 3HG2 THR 64 HG23 THR 64 0.343 -30.540 -27.260 505 H THR 65 HN THR 65 -1.742 -26.851 -28.430 506 HA THR 65 HA THR 65 -2.151 -27.886 -31.038 507 HB THR 65 HB THR 65 -3.928 -25.931 -29.519 508 HG1 THR 65 HG1 THR 65 -3.168 -28.466 -28.981 509 1HG2 THR 65 HG21 THR 65 -4.519 -28.047 -31.613 510 2HG2 THR 65 HG22 THR 65 -4.597 -26.303 -31.856 511 3HG2 THR 65 HG23 THR 65 -5.727 -27.089 -30.762 512 H GLY 66 HN GLY 66 -1.794 -24.546 -29.838 513 1HA GLY 66 HA2 GLY 66 -2.095 -23.377 -32.499 514 2HA GLY 66 HA1 GLY 66 -1.731 -22.524 -31.005 515 H GLU 67 HN GLU 67 0.372 -24.849 -30.748 516 HA GLU 67 HA GLU 67 2.675 -24.907 -30.903 517 1HB GLU 67 HB2 GLU 67 1.952 -24.261 -33.771 518 2HB GLU 67 HB1 GLU 67 3.527 -24.862 -33.248 519 1HG GLU 67 HG2 GLU 67 2.457 -26.896 -32.350 520 2HG GLU 67 HG1 GLU 67 0.881 -26.298 -32.865 521 H LEU 68 HN LEU 68 2.791 -22.872 -29.560 522 HA LEU 68 HA LEU 68 3.224 -20.396 -31.058 523 1HB LEU 68 HB2 LEU 68 2.110 -20.808 -28.637 524 2HB LEU 68 HB1 LEU 68 3.762 -20.622 -28.087 525 HG LEU 68 HG LEU 68 2.685 -18.442 -28.001 526 1HD1 LEU 68 HD11 LEU 68 4.391 -18.307 -30.501 527 2HD1 LEU 68 HD12 LEU 68 5.093 -18.663 -28.924 528 3HD1 LEU 68 HD13 LEU 68 4.242 -17.155 -29.185 529 1HD2 LEU 68 HD21 LEU 68 2.171 -18.154 -30.934 530 2HD2 LEU 68 HD22 LEU 68 1.230 -17.610 -29.552 531 3HD2 LEU 68 HD23 LEU 68 1.082 -19.265 -30.108 532 H ASN 69 HN ASN 69 5.165 -19.700 -31.712 533 HA ASN 69 HA ASN 69 7.598 -20.594 -30.348 534 1HB ASN 69 HB2 ASN 69 6.962 -21.041 -33.288 535 2HB ASN 69 HB1 ASN 69 8.592 -21.174 -32.639 536 1HD2 ASN 69 HD21 ASN 69 5.745 -22.944 -33.208 537 2HD2 ASN 69 HD22 ASN 69 6.080 -24.272 -32.207 538 HA PRO 70 HA PRO 70 8.786 -16.374 -31.109 539 1HB PRO 70 HB2 PRO 70 11.556 -16.610 -31.487 540 2HB PRO 70 HB1 PRO 70 10.760 -16.675 -29.912 541 1HG PRO 70 HG2 PRO 70 11.615 -18.958 -31.665 542 2HG PRO 70 HG1 PRO 70 11.850 -18.744 -29.915 543 1HD PRO 70 HD2 PRO 70 9.888 -20.319 -30.816 544 2HD PRO 70 HD1 PRO 70 9.589 -19.267 -29.415 545 H ARG 71 HN ARG 71 7.634 -16.211 -33.142 546 HA ARG 71 HA ARG 71 9.374 -16.170 -35.579 547 1HB ARG 71 HB2 ARG 71 6.516 -17.170 -35.395 548 2HB ARG 71 HB1 ARG 71 7.460 -16.991 -36.876 549 1HG ARG 71 HG2 ARG 71 9.141 -18.589 -35.988 550 2HG ARG 71 HG1 ARG 71 8.167 -18.783 -34.530 551 1HD ARG 71 HD2 ARG 71 7.714 -20.627 -36.062 552 2HD ARG 71 HD1 ARG 71 6.279 -19.608 -35.940 553 HE ARG 71 HE ARG 71 7.893 -18.720 -38.099 554 1HH1 ARG 71 HH21 ARG 71 5.866 -21.362 -37.129 555 2HH1 ARG 71 HH22 ARG 71 5.385 -21.761 -38.744 556 1HH2 ARG 71 HH11 ARG 71 7.263 -19.240 -40.210 557 2HH2 ARG 71 HH12 ARG 71 6.176 -20.560 -40.487 558 H HIS 72 HN HIS 72 6.081 -15.260 -34.493 559 HA HIS 72 HA HIS 72 6.597 -12.426 -35.101 560 1HB HIS 72 HB2 HIS 72 4.472 -14.010 -36.589 561 2HB HIS 72 HB1 HIS 72 4.735 -12.268 -36.692 562 HD1 HIS 72 HD1 HIS 72 7.221 -11.560 -37.583 563 HD2 HIS 72 HD2 HIS 72 6.033 -15.482 -38.352 564 HE1 HIS 72 HE1 HIS 72 8.776 -12.441 -39.379 565 HE2 HIS 72 HE2 HIS 72 8.064 -14.831 -39.858 566 H ALA 73 HN ALA 73 5.338 -11.075 -33.947 567 HA ALA 73 HA ALA 73 3.830 -12.087 -31.738 568 1HB ALA 73 HB1 ALA 73 5.065 -9.933 -31.707 569 2HB ALA 73 HB2 ALA 73 3.365 -9.716 -31.290 570 3HB ALA 73 HB3 ALA 73 3.948 -9.278 -32.897 571 H GLN 74 HN GLN 74 1.761 -12.684 -31.685 572 HA GLN 74 HA GLN 74 -0.198 -11.554 -33.622 573 1HB GLN 74 HB2 GLN 74 0.190 -14.505 -32.997 574 2HB GLN 74 HB1 GLN 74 -1.141 -13.827 -33.938 575 1HG GLN 74 HG2 GLN 74 0.506 -12.918 -35.571 576 2HG GLN 74 HG1 GLN 74 1.807 -13.664 -34.647 577 1HE2 GLN 74 HE21 GLN 74 2.067 -15.980 -34.777 578 2HE2 GLN 74 HE22 GLN 74 1.215 -16.914 -35.911 579 H CYS 75 HN CYS 75 -1.353 -10.419 -32.173 580 HA CYS 75 HA CYS 75 -1.986 -11.391 -29.536 581 1HB CYS 75 HB2 CYS 75 -1.712 -8.973 -30.033 582 2HB CYS 75 HB1 CYS 75 -3.149 -9.031 -31.053 583 HG CYS 75 HG CYS 75 -3.339 -9.789 -28.025 584 H VAL 76 HN VAL 76 -3.837 -12.418 -28.880 585 HA VAL 76 HA VAL 76 -6.023 -12.806 -30.863 586 HB VAL 76 HB VAL 76 -5.017 -14.870 -28.857 587 1HG1 VAL 76 HG11 VAL 76 -7.085 -15.033 -31.079 588 2HG1 VAL 76 HG12 VAL 76 -7.409 -15.108 -29.348 589 3HG1 VAL 76 HG13 VAL 76 -6.512 -16.403 -30.130 590 1HG2 VAL 76 HG21 VAL 76 -4.653 -14.703 -31.872 591 2HG2 VAL 76 HG22 VAL 76 -4.180 -16.071 -30.862 592 3HG2 VAL 76 HG23 VAL 76 -3.383 -14.512 -30.661 593 H THR 77 HN THR 77 -8.074 -12.462 -30.081 594 HA THR 77 HA THR 77 -8.400 -11.792 -27.190 595 HB THR 77 HB THR 77 -10.162 -10.243 -27.923 596 HG1 THR 77 HG1 THR 77 -10.611 -11.499 -29.856 597 1HG2 THR 77 HG21 THR 77 -7.567 -9.855 -29.452 598 2HG2 THR 77 HG22 THR 77 -7.820 -9.427 -27.759 599 3HG2 THR 77 HG23 THR 77 -8.713 -8.583 -29.025 600 H LEU 78 HN LEU 78 -9.396 -13.474 -26.253 601 HA LEU 78 HA LEU 78 -11.355 -15.142 -27.703 602 1HB LEU 78 HB2 LEU 78 -10.339 -15.334 -24.842 603 2HB LEU 78 HB1 LEU 78 -11.227 -16.572 -25.731 604 HG LEU 78 HG LEU 78 -8.454 -15.530 -26.427 605 1HD1 LEU 78 HD11 LEU 78 -8.493 -16.917 -24.387 606 2HD1 LEU 78 HD12 LEU 78 -7.694 -17.768 -25.708 607 3HD1 LEU 78 HD13 LEU 78 -9.346 -18.192 -25.261 608 1HD2 LEU 78 HD21 LEU 78 -10.265 -17.575 -27.770 609 2HD2 LEU 78 HD22 LEU 78 -8.512 -17.629 -27.967 610 3HD2 LEU 78 HD23 LEU 78 -9.410 -16.219 -28.497 611 H TYR 79 HN TYR 79 -13.455 -15.590 -26.719 612 HA TYR 79 HA TYR 79 -14.504 -13.491 -24.937 613 1HB TYR 79 HB2 TYR 79 -16.425 -13.135 -26.473 614 2HB TYR 79 HB1 TYR 79 -14.897 -12.649 -27.205 615 HD1 TYR 79 HD1 TYR 79 -17.618 -15.151 -27.273 616 HD2 TYR 79 HD2 TYR 79 -13.846 -14.009 -28.998 617 HE1 TYR 79 HE1 TYR 79 -17.982 -16.748 -29.131 618 HE2 TYR 79 HE2 TYR 79 -14.217 -15.606 -30.856 619 HH TYR 79 HH TYR 79 -16.307 -18.060 -30.791 620 H HIS 80 HN HIS 80 -15.827 -14.339 -23.469 621 HA HIS 80 HA HIS 80 -17.529 -16.642 -24.004 622 1HB HIS 80 HB2 HIS 80 -15.390 -17.765 -23.499 623 2HB HIS 80 HB1 HIS 80 -15.249 -16.854 -21.997 624 HD1 HIS 80 HD1 HIS 80 -18.010 -18.945 -23.615 625 HD2 HIS 80 HD2 HIS 80 -16.180 -18.414 -19.908 626 HE1 HIS 80 HE1 HIS 80 -19.187 -20.507 -22.009 627 HE2 HIS 80 HE2 HIS 80 -18.081 -20.197 -19.743 628 H ASN 81 HN ASN 81 -16.380 -16.028 -20.773 629 HA ASN 81 HA ASN 81 -19.012 -15.377 -19.877 630 1HB ASN 81 HB2 ASN 81 -17.277 -16.557 -18.518 631 2HB ASN 81 HB1 ASN 81 -16.370 -15.051 -18.408 632 1HD2 ASN 81 HD21 ASN 81 -16.700 -14.277 -16.309 633 2HD2 ASN 81 HD22 ASN 81 -18.212 -14.173 -15.545 634 H GLY 82 HN GLY 82 -18.084 -13.527 -21.895 635 1HA GLY 82 HA2 GLY 82 -18.444 -11.290 -22.326 636 2HA GLY 82 HA1 GLY 82 -18.768 -11.024 -20.615 637 H PHE 83 HN PHE 83 -16.177 -12.357 -19.859 638 HA PHE 83 HA PHE 83 -14.470 -10.015 -20.044 639 1HB PHE 83 HB2 PHE 83 -14.341 -11.120 -17.933 640 2HB PHE 83 HB1 PHE 83 -14.307 -12.715 -18.684 641 HD1 PHE 83 HD1 PHE 83 -12.160 -13.770 -18.404 642 HD2 PHE 83 HD2 PHE 83 -12.325 -9.519 -19.077 643 HE1 PHE 83 HE1 PHE 83 -9.696 -13.678 -18.444 644 HE2 PHE 83 HE2 PHE 83 -9.861 -9.436 -19.118 645 HZ PHE 83 HZ PHE 83 -8.541 -11.513 -18.791 646 H THR 84 HN THR 84 -12.497 -9.893 -21.082 647 HA THR 84 HA THR 84 -11.763 -12.035 -22.999 648 HB THR 84 HB THR 84 -11.405 -10.414 -24.763 649 HG1 THR 84 HG1 THR 84 -11.350 -8.737 -22.695 650 1HG2 THR 84 HG21 THR 84 -14.083 -9.831 -23.455 651 2HG2 THR 84 HG22 THR 84 -13.744 -11.242 -24.452 652 3HG2 THR 84 HG23 THR 84 -13.690 -9.632 -25.162 653 H CYS 85 HN CYS 85 -9.768 -12.681 -22.462 654 HA CYS 85 HA CYS 85 -7.959 -10.912 -21.020 655 1HB CYS 85 HB2 CYS 85 -8.246 -13.328 -20.396 656 2HB CYS 85 HB1 CYS 85 -7.531 -13.785 -21.938 657 HG CYS 85 HG CYS 85 -5.340 -13.506 -20.831 658 H GLU 86 HN GLU 86 -5.983 -10.116 -21.878 659 HA GLU 86 HA GLU 86 -5.707 -10.310 -24.809 660 1HB GLU 86 HB2 GLU 86 -4.732 -8.330 -22.718 661 2HB GLU 86 HB1 GLU 86 -4.154 -8.287 -24.392 662 1HG GLU 86 HG2 GLU 86 -6.453 -7.993 -25.204 663 2HG GLU 86 HG1 GLU 86 -7.067 -8.105 -23.562 664 H ALA 87 HN ALA 87 -3.887 -11.200 -25.688 665 HA ALA 87 HA ALA 87 -1.576 -11.877 -23.966 666 1HB ALA 87 HB1 ALA 87 -1.561 -14.177 -24.785 667 2HB ALA 87 HB2 ALA 87 -2.996 -13.874 -25.768 668 3HB ALA 87 HB3 ALA 87 -3.109 -13.846 -24.009 669 H ASP 88 HN ASP 88 0.364 -12.157 -25.161 670 HA ASP 88 HA ASP 88 0.428 -12.123 -28.008 671 1HB ASP 88 HB2 ASP 88 1.483 -9.858 -28.244 672 2HB ASP 88 HB1 ASP 88 -0.197 -9.780 -27.749 673 H THR 89 HN THR 89 2.617 -12.350 -28.792 674 HA THR 89 HA THR 89 4.479 -13.279 -26.688 675 HB THR 89 HB THR 89 4.790 -13.683 -29.695 676 HG1 THR 89 HG1 THR 89 3.290 -15.131 -27.779 677 1HG2 THR 89 HG21 THR 89 5.718 -15.313 -27.288 678 2HG2 THR 89 HG22 THR 89 6.741 -14.205 -28.203 679 3HG2 THR 89 HG23 THR 89 6.094 -15.641 -28.980 680 H LEU 90 HN LEU 90 4.011 -10.661 -28.922 681 HA LEU 90 HA LEU 90 5.225 -8.868 -29.526 682 1HB LEU 90 HB2 LEU 90 6.365 -9.544 -26.813 683 2HB LEU 90 HB1 LEU 90 7.291 -8.412 -27.782 684 HG LEU 90 HG LEU 90 5.259 -6.971 -28.005 685 1HD1 LEU 90 HD11 LEU 90 4.026 -9.011 -26.128 686 2HD1 LEU 90 HD12 LEU 90 3.524 -8.666 -27.781 687 3HD1 LEU 90 HD13 LEU 90 3.313 -7.452 -26.529 688 1HD2 LEU 90 HD21 LEU 90 6.882 -6.585 -26.172 689 2HD2 LEU 90 HD22 LEU 90 5.970 -7.685 -25.136 690 3HD2 LEU 90 HD23 LEU 90 5.244 -6.169 -25.673 691 H GLY 91 HN GLY 91 6.176 -11.853 -30.000 692 1HA GLY 91 HA2 GLY 91 7.697 -12.787 -31.468 693 2HA GLY 91 HA1 GLY 91 8.283 -11.168 -31.838 694 H SER 92 HN SER 92 8.149 -11.919 -28.515 695 HA SER 92 HA SER 92 10.965 -11.639 -28.133 696 1HB SER 92 HB2 SER 92 8.909 -12.766 -26.202 697 2HB SER 92 HB1 SER 92 10.502 -12.136 -25.797 698 HG SER 92 HG SER 92 8.194 -10.815 -26.128 699 H CYS 93 HN CYS 93 10.696 -13.999 -26.074 700 HA CYS 93 HA CYS 93 10.789 -16.411 -27.589 701 1HB CYS 93 HB2 CYS 93 13.249 -16.815 -27.355 702 2HB CYS 93 HB1 CYS 93 12.872 -15.492 -28.458 703 HG CYS 93 HG CYS 93 13.984 -15.102 -25.570 704 H GLY 94 HN GLY 94 9.750 -17.536 -26.044 705 1HA GLY 94 HA2 GLY 94 9.446 -18.713 -24.077 706 2HA GLY 94 HA1 GLY 94 11.117 -18.336 -23.662 707 H TYR 95 HN TYR 95 8.619 -15.947 -24.377 708 HA TYR 95 HA TYR 95 8.133 -15.328 -21.565 709 1HB TYR 95 HB2 TYR 95 9.383 -13.252 -23.398 710 2HB TYR 95 HB1 TYR 95 8.814 -12.980 -21.755 711 HD1 TYR 95 HD1 TYR 95 11.714 -13.837 -23.668 712 HD2 TYR 95 HD2 TYR 95 9.760 -14.611 -19.899 713 HE1 TYR 95 HE1 TYR 95 13.856 -14.612 -22.710 714 HE2 TYR 95 HE2 TYR 95 11.912 -15.380 -18.960 715 HH TYR 95 HH TYR 95 14.491 -14.834 -19.573 716 H VAL 96 HN VAL 96 6.175 -14.483 -21.270 717 HA VAL 96 HA VAL 96 4.625 -13.321 -23.512 718 HB VAL 96 HB VAL 96 2.676 -14.805 -22.791 719 1HG1 VAL 96 HG11 VAL 96 3.954 -15.234 -24.878 720 2HG1 VAL 96 HG12 VAL 96 3.399 -16.733 -24.137 721 3HG1 VAL 96 HG13 VAL 96 5.082 -16.240 -23.972 722 1HG2 VAL 96 HG21 VAL 96 3.212 -16.900 -21.638 723 2HG2 VAL 96 HG22 VAL 96 3.653 -15.530 -20.624 724 3HG2 VAL 96 HG23 VAL 96 4.901 -16.418 -21.497 725 H TYR 97 HN TYR 97 3.286 -11.726 -22.877 726 HA TYR 97 HA TYR 97 3.060 -11.085 -19.962 727 1HB TYR 97 HB2 TYR 97 2.967 -9.107 -22.278 728 2HB TYR 97 HB1 TYR 97 3.083 -8.751 -20.556 729 HD1 TYR 97 HD1 TYR 97 5.258 -8.776 -19.442 730 HD2 TYR 97 HD2 TYR 97 4.855 -10.310 -23.446 731 HE1 TYR 97 HE1 TYR 97 7.718 -8.921 -19.644 732 HE2 TYR 97 HE2 TYR 97 7.315 -10.456 -23.630 733 HH TYR 97 HH TYR 97 9.428 -9.155 -21.130 734 H ILE 98 HN ILE 98 1.043 -11.356 -19.259 735 HA ILE 98 HA ILE 98 -1.235 -10.824 -21.074 736 HB ILE 98 HB ILE 98 -2.425 -12.701 -19.712 737 1HG1 ILE 98 HG12 ILE 98 -0.336 -12.694 -18.032 738 2HG1 ILE 98 HG11 ILE 98 -1.198 -14.186 -18.367 739 1HG2 ILE 98 HG21 ILE 98 -0.215 -13.306 -21.710 740 2HG2 ILE 98 HG22 ILE 98 -1.946 -13.148 -21.991 741 3HG2 ILE 98 HG23 ILE 98 -1.321 -14.546 -21.124 742 1HD1 ILE 98 HD11 ILE 98 1.401 -14.153 -18.437 743 2HD1 ILE 98 HD12 ILE 98 1.218 -13.476 -20.036 744 3HD1 ILE 98 HD13 ILE 98 0.545 -15.057 -19.661 745 H ALA 99 HN ALA 99 -3.138 -10.183 -19.991 746 HA ALA 99 HA ALA 99 -3.020 -9.348 -17.191 747 1HB ALA 99 HB1 ALA 99 -3.455 -6.987 -17.703 748 2HB ALA 99 HB2 ALA 99 -3.348 -7.313 -19.431 749 3HB ALA 99 HB3 ALA 99 -1.914 -7.466 -18.416 750 H VAL 100 HN VAL 100 -4.970 -8.816 -16.353 751 HA VAL 100 HA VAL 100 -7.401 -9.524 -17.937 752 HB VAL 100 HB VAL 100 -6.926 -11.366 -16.431 753 1HG1 VAL 100 HG11 VAL 100 -6.622 -11.051 -14.023 754 2HG1 VAL 100 HG12 VAL 100 -6.757 -9.317 -14.202 755 3HG1 VAL 100 HG13 VAL 100 -5.388 -10.169 -14.907 756 1HG2 VAL 100 HG21 VAL 100 -9.022 -11.505 -15.325 757 2HG2 VAL 100 HG22 VAL 100 -9.353 -10.240 -16.492 758 3HG2 VAL 100 HG23 VAL 100 -9.006 -9.816 -14.831 759 H TYR 101 HN TYR 101 -9.013 -8.178 -17.817 760 HA TYR 101 HA TYR 101 -9.268 -6.165 -15.691 761 1HB TYR 101 HB2 TYR 101 -9.532 -4.344 -17.375 762 2HB TYR 101 HB1 TYR 101 -7.897 -4.982 -17.257 763 HD1 TYR 101 HD1 TYR 101 -7.114 -6.761 -18.903 764 HD2 TYR 101 HD2 TYR 101 -10.676 -4.419 -19.523 765 HE1 TYR 101 HE1 TYR 101 -7.067 -7.303 -21.306 766 HE2 TYR 101 HE2 TYR 101 -10.622 -4.976 -21.929 767 HH TYR 101 HH TYR 101 -9.721 -6.465 -23.438 768 HA PRO 102 HA PRO 102 -13.372 -8.144 -16.747 769 1HB PRO 102 HB2 PRO 102 -14.104 -6.444 -14.352 770 2HB PRO 102 HB1 PRO 102 -14.561 -8.125 -14.713 771 1HG PRO 102 HG2 PRO 102 -12.686 -7.603 -12.897 772 2HG PRO 102 HG1 PRO 102 -12.490 -8.967 -14.017 773 1HD PRO 102 HD2 PRO 102 -11.119 -6.269 -14.093 774 2HD PRO 102 HD1 PRO 102 -10.479 -7.871 -14.522 775 H THR 103 HN THR 103 -15.118 -7.314 -17.870 776 HA THR 103 HA THR 103 -14.917 -4.752 -19.078 777 HB THR 103 HB THR 103 -17.142 -5.255 -19.992 778 HG1 THR 103 HG1 THR 103 -17.183 -6.872 -17.780 779 1HG2 THR 103 HG21 THR 103 -15.164 -6.371 -20.982 780 2HG2 THR 103 HG22 THR 103 -16.588 -7.406 -21.069 781 3HG2 THR 103 HG23 THR 103 -15.355 -7.708 -19.846 782 H GLN 104 HN GLN 104 -15.727 -2.793 -18.477 783 HA GLN 104 HA GLN 104 -16.686 -2.388 -15.809 784 1HB GLN 104 HB2 GLN 104 -15.359 -0.711 -17.126 785 2HB GLN 104 HB1 GLN 104 -16.758 -0.460 -18.168 786 1HG GLN 104 HG2 GLN 104 -18.090 0.287 -16.222 787 2HG GLN 104 HG1 GLN 104 -16.716 -0.011 -15.160 788 1HE2 GLN 104 HE21 GLN 104 -14.585 1.184 -16.133 789 2HE2 GLN 104 HE22 GLN 104 -14.848 2.803 -16.570 790 H ARG 105 HN ARG 105 -18.238 -2.432 -19.006 791 HA ARG 105 HA ARG 105 -20.803 -1.593 -18.161 792 1HB ARG 105 HB2 ARG 105 -20.032 -1.671 -20.540 793 2HB ARG 105 HB1 ARG 105 -20.123 -3.432 -20.492 794 1HG ARG 105 HG2 ARG 105 -22.547 -3.294 -19.974 795 2HG ARG 105 HG1 ARG 105 -22.450 -1.533 -20.009 796 1HD ARG 105 HD2 ARG 105 -21.795 -3.358 -22.344 797 2HD ARG 105 HD1 ARG 105 -23.304 -2.473 -22.145 798 HE ARG 105 HE ARG 105 -21.194 -0.622 -21.971 799 1HH1 ARG 105 HH21 ARG 105 -22.667 -2.779 -24.258 800 2HH1 ARG 105 HH22 ARG 105 -22.261 -1.811 -25.636 801 1HH2 ARG 105 HH11 ARG 105 -20.663 0.642 -23.778 802 2HH2 ARG 105 HH12 ARG 105 -21.128 0.124 -25.364 Start of MODEL 10 1 1H MET 1 HT1 MET 1 8.769 -0.885 -2.638 2 2H MET 1 HT2 MET 1 9.016 -0.014 -4.075 3 3H MET 1 HT3 MET 1 7.774 -1.170 -3.982 4 HA MET 1 HA MET 1 7.122 0.436 -1.940 5 1HB MET 1 HB2 MET 1 8.265 2.138 -4.187 6 2HB MET 1 HB1 MET 1 7.311 2.758 -2.839 7 1HG MET 1 HG2 MET 1 9.937 1.260 -2.491 8 2HG MET 1 HG1 MET 1 9.803 3.017 -2.522 9 1HE MET 1 HE1 MET 1 10.602 3.684 -0.113 10 2HE MET 1 HE2 MET 1 11.241 2.060 -0.345 11 3HE MET 1 HE3 MET 1 10.485 2.490 1.187 12 H SER 2 HN SER 2 5.375 2.194 -2.922 13 HA SER 2 HA SER 2 3.376 0.610 -4.151 14 1HB SER 2 HB2 SER 2 2.876 2.550 -2.714 15 2HB SER 2 HB1 SER 2 3.554 3.629 -3.930 16 HG SER 2 HG SER 2 1.371 1.840 -4.290 17 H ASN 3 HN ASN 3 5.983 2.438 -5.435 18 HA ASN 3 HA ASN 3 4.964 3.095 -8.003 19 1HB ASN 3 HB2 ASN 3 7.805 2.532 -7.092 20 2HB ASN 3 HB1 ASN 3 7.373 3.237 -8.650 21 1HD2 ASN 3 HD21 ASN 3 8.866 4.435 -6.269 22 2HD2 ASN 3 HD22 ASN 3 8.024 5.867 -5.925 23 H THR 4 HN THR 4 6.518 0.195 -6.682 24 HA THR 4 HA THR 4 7.040 -1.182 -9.018 25 HB THR 4 HB THR 4 6.082 -2.412 -6.407 26 HG1 THR 4 HG1 THR 4 8.542 -1.368 -7.284 27 1HG2 THR 4 HG21 THR 4 6.193 -4.050 -8.239 28 2HG2 THR 4 HG22 THR 4 7.537 -4.304 -7.128 29 3HG2 THR 4 HG23 THR 4 7.810 -3.488 -8.665 30 H THR 5 HN THR 5 5.460 -1.231 -10.623 31 HA THR 5 HA THR 5 2.897 -2.611 -10.016 32 HB THR 5 HB THR 5 1.784 -1.029 -11.642 33 HG1 THR 5 HG1 THR 5 3.952 0.697 -11.254 34 1HG2 THR 5 HG21 THR 5 1.572 -0.653 -9.219 35 2HG2 THR 5 HG22 THR 5 1.662 0.883 -10.080 36 3HG2 THR 5 HG23 THR 5 3.072 0.270 -9.220 37 H TRP 6 HN TRP 6 2.618 -4.306 -11.283 38 HA TRP 6 HA TRP 6 4.317 -4.704 -13.667 39 1HB TRP 6 HB2 TRP 6 2.485 -6.613 -12.175 40 2HB TRP 6 HB1 TRP 6 3.594 -7.044 -13.478 41 HD1 TRP 6 HD1 TRP 6 6.258 -5.953 -12.832 42 HE1 TRP 6 HE1 TRP 6 7.525 -6.423 -10.636 43 HE3 TRP 6 HE3 TRP 6 2.356 -7.318 -9.837 44 HZ2 TRP 6 HZ2 TRP 6 6.956 -7.270 -7.963 45 HZ3 TRP 6 HZ3 TRP 6 2.744 -7.954 -7.477 46 HH2 TRP 6 HH2 TRP 6 5.036 -7.930 -6.535 47 H GLY 7 HN GLY 7 3.269 -5.686 -15.578 48 1HA GLY 7 HA2 GLY 7 1.302 -6.115 -16.899 49 2HA GLY 7 HA1 GLY 7 0.417 -4.904 -15.984 50 H LEU 8 HN LEU 8 0.491 -4.960 -18.729 51 HA LEU 8 HA LEU 8 2.446 -3.189 -19.863 52 1HB LEU 8 HB2 LEU 8 -0.331 -3.838 -20.910 53 2HB LEU 8 HB1 LEU 8 1.042 -3.249 -21.843 54 HG LEU 8 HG LEU 8 0.888 -5.938 -20.420 55 1HD1 LEU 8 HD11 LEU 8 0.819 -6.871 -22.706 56 2HD1 LEU 8 HD12 LEU 8 0.821 -5.239 -23.374 57 3HD1 LEU 8 HD13 LEU 8 -0.552 -5.800 -22.419 58 1HD2 LEU 8 HD21 LEU 8 3.109 -4.608 -22.024 59 2HD2 LEU 8 HD22 LEU 8 3.018 -6.362 -21.862 60 3HD2 LEU 8 HD23 LEU 8 3.206 -5.367 -20.432 61 H GLN 9 HN GLN 9 2.112 -1.046 -20.608 62 HA GLN 9 HA GLN 9 0.401 0.609 -18.824 63 1HB GLN 9 HB2 GLN 9 2.748 1.401 -20.582 64 2HB GLN 9 HB1 GLN 9 1.891 2.434 -19.440 65 1HG GLN 9 HG2 GLN 9 3.859 1.683 -18.275 66 2HG GLN 9 HG1 GLN 9 2.534 0.733 -17.607 67 1HE2 GLN 9 HE21 GLN 9 4.300 0.295 -20.719 68 2HE2 GLN 9 HE22 GLN 9 4.845 -1.272 -20.360 69 H ARG 10 HN ARG 10 -1.504 1.288 -19.769 70 HA ARG 10 HA ARG 10 -1.431 2.257 -22.530 71 1HB ARG 10 HB2 ARG 10 -3.517 0.259 -21.530 72 2HB ARG 10 HB1 ARG 10 -3.552 1.055 -23.103 73 1HG ARG 10 HG2 ARG 10 -1.382 -0.025 -23.676 74 2HG ARG 10 HG1 ARG 10 -1.396 -0.847 -22.118 75 1HD ARG 10 HD2 ARG 10 -2.233 -2.368 -23.824 76 2HD ARG 10 HD1 ARG 10 -3.549 -1.937 -22.732 77 HE ARG 10 HE ARG 10 -3.524 -0.128 -24.903 78 1HH1 ARG 10 HH21 ARG 10 -4.165 -3.462 -24.171 79 2HH1 ARG 10 HH22 ARG 10 -5.304 -3.661 -25.461 80 1HH2 ARG 10 HH11 ARG 10 -5.006 -0.392 -26.582 81 2HH2 ARG 10 HH12 ARG 10 -5.779 -1.922 -26.826 82 H ASP 11 HN ASP 11 -4.119 2.863 -22.815 83 HA ASP 11 HA ASP 11 -4.394 5.281 -21.396 84 1HB ASP 11 HB2 ASP 11 -5.556 4.724 -23.521 85 2HB ASP 11 HB1 ASP 11 -6.585 3.596 -22.647 86 H ILE 12 HN ILE 12 -4.672 2.174 -20.178 87 HA ILE 12 HA ILE 12 -6.731 2.839 -18.151 88 HB ILE 12 HB ILE 12 -5.259 0.224 -18.697 89 1HG1 ILE 12 HG12 ILE 12 -8.134 0.991 -19.396 90 2HG1 ILE 12 HG11 ILE 12 -6.815 0.986 -20.561 91 1HG2 ILE 12 HG21 ILE 12 -7.668 0.870 -16.957 92 2HG2 ILE 12 HG22 ILE 12 -6.063 0.452 -16.379 93 3HG2 ILE 12 HG23 ILE 12 -7.017 -0.745 -17.226 94 1HD1 ILE 12 HD11 ILE 12 -6.443 -1.427 -20.135 95 2HD1 ILE 12 HD12 ILE 12 -8.078 -1.110 -20.711 96 3HD1 ILE 12 HD13 ILE 12 -7.795 -1.429 -19.002 97 H THR 13 HN THR 13 -6.115 3.481 -16.166 98 HA THR 13 HA THR 13 -3.272 3.604 -15.454 99 HB THR 13 HB THR 13 -4.867 4.552 -13.258 100 HG1 THR 13 HG1 THR 13 -5.877 5.400 -15.759 101 1HG2 THR 13 HG21 THR 13 -3.660 6.183 -15.530 102 2HG2 THR 13 HG22 THR 13 -2.817 5.692 -14.059 103 3HG2 THR 13 HG23 THR 13 -4.177 6.809 -13.964 104 HA PRO 14 HA PRO 14 -4.596 0.570 -12.123 105 1HB PRO 14 HB2 PRO 14 -7.133 -0.293 -11.678 106 2HB PRO 14 HB1 PRO 14 -6.655 1.356 -11.200 107 1HG PRO 14 HG2 PRO 14 -8.075 0.485 -13.715 108 2HG PRO 14 HG1 PRO 14 -8.512 1.795 -12.603 109 1HD PRO 14 HD2 PRO 14 -7.079 2.227 -14.939 110 2HD PRO 14 HD1 PRO 14 -6.896 3.258 -13.507 111 H ARG 15 HN ARG 15 -3.826 -1.372 -12.541 112 HA ARG 15 HA ARG 15 -5.089 -3.289 -14.408 113 1HB ARG 15 HB2 ARG 15 -3.031 -3.545 -15.706 114 2HB ARG 15 HB1 ARG 15 -3.736 -1.942 -15.902 115 1HG ARG 15 HG2 ARG 15 -2.121 -1.013 -14.287 116 2HG ARG 15 HG1 ARG 15 -1.414 -2.608 -14.048 117 1HD ARG 15 HD2 ARG 15 -0.792 -2.716 -16.420 118 2HD ARG 15 HD1 ARG 15 -1.519 -1.131 -16.699 119 HE ARG 15 HE ARG 15 1.064 -1.662 -15.546 120 1HH1 ARG 15 HH21 ARG 15 -1.644 0.520 -15.527 121 2HH1 ARG 15 HH22 ARG 15 -0.712 1.877 -14.985 122 1HH2 ARG 15 HH11 ARG 15 2.267 0.113 -14.831 123 2HH2 ARG 15 HH12 ARG 15 1.496 1.645 -14.592 124 H LEU 16 HN LEU 16 -4.347 -5.368 -14.162 125 HA LEU 16 HA LEU 16 -2.567 -5.929 -11.835 126 1HB LEU 16 HB2 LEU 16 -4.805 -6.679 -11.231 127 2HB LEU 16 HB1 LEU 16 -5.061 -7.392 -12.818 128 HG LEU 16 HG LEU 16 -3.372 -9.132 -12.343 129 1HD1 LEU 16 HD11 LEU 16 -1.765 -8.032 -10.975 130 2HD1 LEU 16 HD12 LEU 16 -2.494 -9.227 -9.923 131 3HD1 LEU 16 HD13 LEU 16 -2.978 -7.534 -9.798 132 1HD2 LEU 16 HD21 LEU 16 -5.358 -8.803 -10.069 133 2HD2 LEU 16 HD22 LEU 16 -4.569 -10.309 -10.534 134 3HD2 LEU 16 HD23 LEU 16 -5.707 -9.533 -11.636 135 H GLY 17 HN GLY 17 -0.738 -6.667 -12.441 136 1HA GLY 17 HA2 GLY 17 -0.264 -7.785 -15.119 137 2HA GLY 17 HA1 GLY 17 0.951 -7.382 -13.905 138 H ALA 18 HN ALA 18 0.934 -9.823 -15.292 139 HA ALA 18 HA ALA 18 1.098 -11.683 -13.100 140 1HB ALA 18 HB1 ALA 18 -1.337 -11.747 -13.323 141 2HB ALA 18 HB2 ALA 18 -0.660 -13.260 -13.924 142 3HB ALA 18 HB3 ALA 18 -1.199 -12.023 -15.056 143 H ARG 19 HN ARG 19 3.192 -11.296 -14.451 144 HA ARG 19 HA ARG 19 3.321 -12.548 -17.028 145 1HB ARG 19 HB2 ARG 19 4.873 -10.732 -16.280 146 2HB ARG 19 HB1 ARG 19 5.583 -11.841 -15.110 147 1HG ARG 19 HG2 ARG 19 6.274 -13.343 -16.978 148 2HG ARG 19 HG1 ARG 19 5.582 -12.200 -18.130 149 1HD ARG 19 HD2 ARG 19 7.978 -11.781 -17.973 150 2HD ARG 19 HD1 ARG 19 7.130 -10.436 -17.211 151 HE ARG 19 HE ARG 19 7.710 -12.384 -15.247 152 1HH1 ARG 19 HH21 ARG 19 9.289 -10.097 -17.327 153 2HH1 ARG 19 HH22 ARG 19 10.619 -9.832 -16.249 154 1HH2 ARG 19 HH11 ARG 19 9.454 -12.035 -13.839 155 2HH2 ARG 19 HH12 ARG 19 10.711 -10.927 -14.277 156 H LEU 20 HN LEU 20 3.395 -14.637 -17.432 157 HA LEU 20 HA LEU 20 3.816 -16.595 -15.280 158 1HB LEU 20 HB2 LEU 20 3.077 -17.022 -18.201 159 2HB LEU 20 HB1 LEU 20 2.951 -18.195 -16.893 160 HG LEU 20 HG LEU 20 1.378 -15.598 -17.102 161 1HD1 LEU 20 HD11 LEU 20 0.514 -18.489 -17.425 162 2HD1 LEU 20 HD12 LEU 20 0.679 -17.318 -18.734 163 3HD1 LEU 20 HD13 LEU 20 -0.553 -17.087 -17.494 164 1HD2 LEU 20 HD21 LEU 20 1.445 -17.782 -14.982 165 2HD2 LEU 20 HD22 LEU 20 0.033 -16.741 -15.190 166 3HD2 LEU 20 HD23 LEU 20 1.581 -16.034 -14.765 167 H VAL 21 HN VAL 21 5.428 -18.111 -15.274 168 HA VAL 21 HA VAL 21 7.752 -17.581 -17.047 169 HB VAL 21 HB VAL 21 9.070 -18.762 -15.288 170 1HG1 VAL 21 HG11 VAL 21 8.850 -17.047 -13.534 171 2HG1 VAL 21 HG12 VAL 21 7.281 -16.570 -14.184 172 3HG1 VAL 21 HG13 VAL 21 8.748 -16.313 -15.132 173 1HG2 VAL 21 HG21 VAL 21 7.415 -20.313 -14.411 174 2HG2 VAL 21 HG22 VAL 21 6.371 -18.988 -13.893 175 3HG2 VAL 21 HG23 VAL 21 7.914 -19.266 -13.088 176 H GLN 22 HN GLN 22 8.511 -19.142 -18.341 177 HA GLN 22 HA GLN 22 6.799 -21.381 -18.967 178 1HB GLN 22 HB2 GLN 22 8.480 -21.828 -20.740 179 2HB GLN 22 HB1 GLN 22 7.941 -20.148 -20.753 180 1HG GLN 22 HG2 GLN 22 9.982 -19.529 -19.432 181 2HG GLN 22 HG1 GLN 22 10.538 -21.190 -19.557 182 1HE2 GLN 22 HE21 GLN 22 12.340 -19.582 -20.621 183 2HE2 GLN 22 HE22 GLN 22 12.237 -19.501 -22.314 184 H GLU 23 HN GLU 23 7.044 -23.475 -18.350 185 HA GLU 23 HA GLU 23 9.497 -24.691 -17.619 186 1HB GLU 23 HB2 GLU 23 8.944 -23.180 -15.535 187 2HB GLU 23 HB1 GLU 23 7.683 -24.340 -15.193 188 1HG GLU 23 HG2 GLU 23 10.639 -24.997 -15.488 189 2HG GLU 23 HG1 GLU 23 9.778 -24.852 -13.962 190 H GLY 24 HN GLY 24 9.041 -26.577 -18.597 191 1HA GLY 24 HA2 GLY 24 8.074 -28.627 -18.990 192 2HA GLY 24 HA1 GLY 24 7.038 -28.360 -17.588 193 H ASN 25 HN ASN 25 5.334 -29.327 -18.941 194 HA ASN 25 HA ASN 25 4.409 -27.775 -21.232 195 1HB ASN 25 HB2 ASN 25 4.320 -30.256 -21.247 196 2HB ASN 25 HB1 ASN 25 3.209 -30.222 -19.881 197 1HD2 ASN 25 HD21 ASN 25 3.518 -29.271 -23.319 198 2HD2 ASN 25 HD22 ASN 25 1.847 -29.207 -23.611 199 H GLN 26 HN GLN 26 4.257 -27.221 -18.063 200 HA GLN 26 HA GLN 26 1.527 -26.009 -18.119 201 1HB GLN 26 HB2 GLN 26 2.949 -27.303 -15.765 202 2HB GLN 26 HB1 GLN 26 1.379 -26.503 -15.703 203 1HG GLN 26 HG2 GLN 26 2.014 -28.940 -17.411 204 2HG GLN 26 HG1 GLN 26 1.183 -28.992 -15.860 205 1HE2 GLN 26 HE21 GLN 26 -0.952 -27.778 -15.754 206 2HE2 GLN 26 HE22 GLN 26 -1.873 -27.646 -17.174 207 H LEU 27 HN LEU 27 1.412 -23.936 -17.529 208 HA LEU 27 HA LEU 27 3.910 -22.467 -16.979 209 1HB LEU 27 HB2 LEU 27 1.079 -21.719 -17.778 210 2HB LEU 27 HB1 LEU 27 2.185 -20.489 -17.176 211 HG LEU 27 HG LEU 27 3.793 -21.045 -18.978 212 1HD1 LEU 27 HD11 LEU 27 1.686 -23.096 -19.748 213 2HD1 LEU 27 HD12 LEU 27 3.400 -23.360 -19.413 214 3HD1 LEU 27 HD13 LEU 27 2.914 -22.530 -20.883 215 1HD2 LEU 27 HD21 LEU 27 2.092 -19.295 -19.357 216 2HD2 LEU 27 HD22 LEU 27 0.975 -20.510 -19.980 217 3HD2 LEU 27 HD23 LEU 27 2.460 -20.143 -20.859 218 H HIS 28 HN HIS 28 4.474 -21.846 -15.030 219 HA HIS 28 HA HIS 28 2.852 -22.414 -12.668 220 1HB HIS 28 HB2 HIS 28 5.637 -21.315 -13.134 221 2HB HIS 28 HB1 HIS 28 4.962 -21.558 -11.533 222 HD1 HIS 28 HD1 HIS 28 5.621 -23.742 -10.558 223 HD2 HIS 28 HD2 HIS 28 5.299 -23.958 -14.706 224 HE1 HIS 28 HE1 HIS 28 6.166 -26.133 -11.195 225 HE2 HIS 28 HE2 HIS 28 5.976 -26.279 -13.723 226 H TYR 29 HN TYR 29 1.392 -20.965 -12.018 227 HA TYR 29 HA TYR 29 1.767 -18.071 -12.549 228 1HB TYR 29 HB2 TYR 29 -0.426 -18.830 -13.236 229 2HB TYR 29 HB1 TYR 29 -0.635 -19.776 -11.766 230 HD1 TYR 29 HD1 TYR 29 -1.988 -18.771 -10.031 231 HD2 TYR 29 HD2 TYR 29 0.116 -16.239 -12.807 232 HE1 TYR 29 HE1 TYR 29 -2.922 -16.766 -8.921 233 HE2 TYR 29 HE2 TYR 29 -0.835 -14.246 -11.695 234 HH TYR 29 HH TYR 29 -2.943 -14.546 -8.842 235 H LEU 30 HN LEU 30 3.073 -17.283 -11.053 236 HA LEU 30 HA LEU 30 2.957 -18.132 -8.240 237 1HB LEU 30 HB2 LEU 30 4.734 -16.315 -9.885 238 2HB LEU 30 HB1 LEU 30 4.791 -16.245 -8.125 239 HG LEU 30 HG LEU 30 5.332 -18.663 -8.044 240 1HD1 LEU 30 HD11 LEU 30 6.009 -19.762 -10.259 241 2HD1 LEU 30 HD12 LEU 30 5.152 -18.449 -11.070 242 3HD1 LEU 30 HD13 LEU 30 4.282 -19.548 -9.998 243 1HD2 LEU 30 HD21 LEU 30 7.152 -17.107 -9.917 244 2HD2 LEU 30 HD22 LEU 30 7.622 -18.489 -8.932 245 3HD2 LEU 30 HD23 LEU 30 7.156 -16.975 -8.158 246 H ALA 31 HN ALA 31 1.994 -17.027 -6.670 247 HA ALA 31 HA ALA 31 0.231 -14.776 -7.281 248 1HB ALA 31 HB1 ALA 31 0.761 -16.290 -4.706 249 2HB ALA 31 HB2 ALA 31 -0.531 -16.635 -5.853 250 3HB ALA 31 HB3 ALA 31 -0.529 -15.114 -4.961 251 H ASP 32 HN ASP 32 3.335 -15.392 -5.839 252 HA ASP 32 HA ASP 32 3.537 -12.974 -4.299 253 1HB ASP 32 HB2 ASP 32 5.704 -14.845 -5.316 254 2HB ASP 32 HB1 ASP 32 5.935 -13.584 -4.107 255 H ARG 33 HN ARG 33 3.653 -13.577 -7.629 256 HA ARG 33 HA ARG 33 5.314 -11.160 -8.206 257 1HB ARG 33 HB2 ARG 33 4.543 -13.485 -10.003 258 2HB ARG 33 HB1 ARG 33 5.486 -12.079 -10.506 259 1HG ARG 33 HG2 ARG 33 7.198 -12.648 -8.767 260 2HG ARG 33 HG1 ARG 33 6.276 -14.099 -8.374 261 1HD ARG 33 HD2 ARG 33 6.539 -14.881 -10.715 262 2HD ARG 33 HD1 ARG 33 7.480 -13.437 -11.077 263 HE ARG 33 HE ARG 33 8.554 -14.930 -8.850 264 1HH1 ARG 33 HH21 ARG 33 8.393 -14.692 -12.303 265 2HH1 ARG 33 HH22 ARG 33 9.890 -15.523 -12.570 266 1HH2 ARG 33 HH11 ARG 33 10.525 -16.015 -9.198 267 2HH2 ARG 33 HH12 ARG 33 11.095 -16.268 -10.814 268 H ALA 34 HN ALA 34 2.330 -11.552 -7.454 269 HA ALA 34 HA ALA 34 1.390 -9.505 -9.330 270 1HB ALA 34 HB1 ALA 34 -0.637 -10.756 -9.922 271 2HB ALA 34 HB2 ALA 34 -0.089 -12.139 -8.981 272 3HB ALA 34 HB3 ALA 34 0.790 -11.651 -10.429 273 H SER 35 HN SER 35 0.344 -8.022 -8.197 274 HA SER 35 HA SER 35 -0.388 -8.469 -5.419 275 1HB SER 35 HB2 SER 35 -0.559 -5.994 -7.159 276 2HB SER 35 HB1 SER 35 -0.839 -6.043 -5.419 277 HG SER 35 HG SER 35 1.496 -7.245 -6.231 278 H ILE 36 HN ILE 36 -2.572 -7.482 -4.715 279 HA ILE 36 HA ILE 36 -4.776 -8.490 -6.464 280 HB ILE 36 HB ILE 36 -6.117 -8.317 -4.389 281 1HG1 ILE 36 HG12 ILE 36 -3.465 -7.652 -3.020 282 2HG1 ILE 36 HG11 ILE 36 -4.707 -6.452 -3.343 283 1HG2 ILE 36 HG21 ILE 36 -5.024 -10.216 -3.238 284 2HG2 ILE 36 HG22 ILE 36 -3.526 -9.879 -4.102 285 3HG2 ILE 36 HG23 ILE 36 -4.954 -10.416 -4.989 286 1HD1 ILE 36 HD11 ILE 36 -4.931 -7.236 -1.060 287 2HD1 ILE 36 HD12 ILE 36 -5.026 -8.909 -1.606 288 3HD1 ILE 36 HD13 ILE 36 -6.322 -7.778 -2.001 289 H THR 37 HN THR 37 -6.629 -7.204 -6.812 290 HA THR 37 HA THR 37 -6.321 -4.276 -6.404 291 HB THR 37 HB THR 37 -7.135 -3.899 -8.695 292 HG1 THR 37 HG1 THR 37 -8.263 -5.691 -9.179 293 1HG2 THR 37 HG21 THR 37 -5.102 -4.574 -9.889 294 2HG2 THR 37 HG22 THR 37 -4.745 -5.769 -8.644 295 3HG2 THR 37 HG23 THR 37 -4.680 -4.048 -8.257 296 H GLY 38 HN GLY 38 -8.156 -3.432 -5.528 297 1HA GLY 38 HA2 GLY 38 -10.325 -3.266 -4.768 298 2HA GLY 38 HA1 GLY 38 -10.787 -4.102 -6.246 299 H LYS 39 HN LYS 39 -10.286 -4.388 -2.847 300 HA LYS 39 HA LYS 39 -10.078 -7.161 -2.477 301 1HB LYS 39 HB2 LYS 39 -11.545 -5.121 -0.774 302 2HB LYS 39 HB1 LYS 39 -11.074 -6.736 -0.243 303 1HG LYS 39 HG2 LYS 39 -8.698 -6.174 -0.616 304 2HG LYS 39 HG1 LYS 39 -9.162 -4.557 -1.148 305 1HD LYS 39 HD2 LYS 39 -10.172 -4.110 1.066 306 2HD LYS 39 HD1 LYS 39 -9.711 -5.726 1.604 307 1HE LYS 39 HE2 LYS 39 -7.331 -5.168 1.253 308 2HE LYS 39 HE1 LYS 39 -7.789 -3.553 0.710 309 1HZ LYS 39 HZ1 LYS 39 -7.442 -4.484 3.340 310 2HZ LYS 39 HZ2 LYS 39 -9.060 -4.005 3.143 311 3HZ LYS 39 HZ3 LYS 39 -7.801 -2.913 2.813 312 H PHE 40 HN PHE 40 -11.328 -8.474 -3.745 313 HA PHE 40 HA PHE 40 -14.127 -8.108 -4.249 314 1HB PHE 40 HB2 PHE 40 -12.462 -10.658 -4.358 315 2HB PHE 40 HB1 PHE 40 -13.950 -10.307 -5.240 316 HD1 PHE 40 HD1 PHE 40 -13.926 -8.763 -7.205 317 HD2 PHE 40 HD2 PHE 40 -10.321 -9.631 -5.013 318 HE1 PHE 40 HE1 PHE 40 -12.568 -7.770 -9.026 319 HE2 PHE 40 HE2 PHE 40 -8.974 -8.637 -6.830 320 HZ PHE 40 HZ PHE 40 -10.096 -7.709 -8.844 321 H SER 41 HN SER 41 -15.826 -8.901 -3.219 322 HA SER 41 HA SER 41 -15.670 -9.588 -0.451 323 1HB SER 41 HB2 SER 41 -17.595 -8.406 -1.419 324 2HB SER 41 HB1 SER 41 -17.958 -9.801 -2.429 325 HG SER 41 HG SER 41 -18.869 -10.712 -0.775 326 H ASP 42 HN ASP 42 -16.865 -11.564 0.354 327 HA ASP 42 HA ASP 42 -15.557 -13.965 -0.512 328 1HB ASP 42 HB2 ASP 42 -16.379 -13.536 1.828 329 2HB ASP 42 HB1 ASP 42 -18.029 -13.679 1.232 330 H ALA 43 HN ALA 43 -18.455 -12.381 -1.581 331 HA ALA 43 HA ALA 43 -19.463 -14.834 -2.872 332 1HB ALA 43 HB1 ALA 43 -21.081 -13.293 -1.815 333 2HB ALA 43 HB2 ALA 43 -21.361 -13.417 -3.552 334 3HB ALA 43 HB3 ALA 43 -20.549 -12.000 -2.887 335 H GLU 44 HN GLU 44 -17.566 -12.027 -3.579 336 HA GLU 44 HA GLU 44 -17.753 -12.362 -6.527 337 1HB GLU 44 HB2 GLU 44 -16.391 -10.254 -4.821 338 2HB GLU 44 HB1 GLU 44 -16.494 -10.240 -6.582 339 1HG GLU 44 HG2 GLU 44 -18.898 -10.215 -4.711 340 2HG GLU 44 HG1 GLU 44 -18.232 -8.790 -5.496 341 H CYS 45 HN CYS 45 -15.590 -12.972 -3.848 342 HA CYS 45 HA CYS 45 -13.169 -13.268 -5.305 343 1HB CYS 45 HB2 CYS 45 -12.727 -13.252 -3.004 344 2HB CYS 45 HB1 CYS 45 -14.209 -14.105 -2.617 345 HG CYS 45 HG CYS 45 -12.813 -16.125 -2.386 346 HA PRO 46 HA PRO 46 -14.278 -18.079 -5.635 347 1HB PRO 46 HB2 PRO 46 -16.996 -18.638 -5.595 348 2HB PRO 46 HB1 PRO 46 -15.944 -18.729 -4.164 349 1HG PRO 46 HG2 PRO 46 -17.670 -16.428 -5.069 350 2HG PRO 46 HG1 PRO 46 -17.587 -17.188 -3.459 351 1HD PRO 46 HD2 PRO 46 -16.242 -14.953 -3.855 352 2HD PRO 46 HD1 PRO 46 -15.400 -16.274 -3.026 353 H LYS 47 HN LYS 47 -16.724 -15.777 -6.917 354 HA LYS 47 HA LYS 47 -17.188 -17.099 -9.338 355 1HB LYS 47 HB2 LYS 47 -17.230 -14.124 -8.709 356 2HB LYS 47 HB1 LYS 47 -17.907 -14.832 -10.179 357 1HG LYS 47 HG2 LYS 47 -19.449 -16.201 -8.822 358 2HG LYS 47 HG1 LYS 47 -18.777 -15.502 -7.346 359 1HD LYS 47 HD2 LYS 47 -19.504 -13.256 -8.066 360 2HD LYS 47 HD1 LYS 47 -20.169 -13.942 -9.550 361 1HE LYS 47 HE2 LYS 47 -21.063 -14.637 -6.732 362 2HE LYS 47 HE1 LYS 47 -21.945 -13.618 -7.869 363 1HZ LYS 47 HZ1 LYS 47 -21.393 -15.894 -9.270 364 2HZ LYS 47 HZ2 LYS 47 -22.887 -15.481 -8.577 365 3HZ LYS 47 HZ3 LYS 47 -21.795 -16.464 -7.725 366 H LEU 48 HN LEU 48 -14.558 -14.876 -8.488 367 HA LEU 48 HA LEU 48 -13.557 -14.857 -11.204 368 1HB LEU 48 HB2 LEU 48 -12.761 -13.637 -8.572 369 2HB LEU 48 HB1 LEU 48 -11.485 -13.790 -9.769 370 HG LEU 48 HG LEU 48 -12.657 -11.573 -9.848 371 1HD1 LEU 48 HD11 LEU 48 -13.437 -12.663 -12.505 372 2HD1 LEU 48 HD12 LEU 48 -11.789 -13.050 -12.021 373 3HD1 LEU 48 HD13 LEU 48 -12.318 -11.382 -12.066 374 1HD2 LEU 48 HD21 LEU 48 -15.098 -12.963 -11.001 375 2HD2 LEU 48 HD22 LEU 48 -14.941 -11.321 -10.387 376 3HD2 LEU 48 HD23 LEU 48 -14.961 -12.672 -9.272 377 H ASP 49 HN ASP 49 -12.974 -16.728 -8.274 378 HA ASP 49 HA ASP 49 -10.513 -17.904 -9.100 379 1HB ASP 49 HB2 ASP 49 -11.327 -17.901 -6.749 380 2HB ASP 49 HB1 ASP 49 -12.629 -18.992 -7.213 381 H VAL 50 HN VAL 50 -13.895 -18.893 -9.532 382 HA VAL 50 HA VAL 50 -13.203 -21.394 -10.800 383 HB VAL 50 HB VAL 50 -15.638 -21.577 -11.284 384 1HG1 VAL 50 HG11 VAL 50 -14.998 -20.504 -8.509 385 2HG1 VAL 50 HG12 VAL 50 -14.832 -22.178 -9.034 386 3HG1 VAL 50 HG13 VAL 50 -16.431 -21.445 -8.925 387 1HG2 VAL 50 HG21 VAL 50 -15.703 -18.737 -10.231 388 2HG2 VAL 50 HG22 VAL 50 -17.136 -19.707 -10.519 389 3HG2 VAL 50 HG23 VAL 50 -16.108 -19.231 -11.863 390 H VAL 51 HN VAL 51 -13.476 -18.137 -11.979 391 HA VAL 51 HA VAL 51 -13.889 -18.951 -14.766 392 HB VAL 51 HB VAL 51 -14.738 -16.744 -13.496 393 1HG1 VAL 51 HG11 VAL 51 -12.259 -15.608 -14.849 394 2HG1 VAL 51 HG12 VAL 51 -12.309 -15.968 -13.140 395 3HG1 VAL 51 HG13 VAL 51 -13.408 -14.776 -13.800 396 1HG2 VAL 51 HG21 VAL 51 -13.827 -16.804 -16.398 397 2HG2 VAL 51 HG22 VAL 51 -14.951 -15.616 -15.734 398 3HG2 VAL 51 HG23 VAL 51 -15.398 -17.320 -15.780 399 H PHE 52 HN PHE 52 -11.290 -18.383 -12.629 400 HA PHE 52 HA PHE 52 -9.229 -17.602 -14.362 401 1HB PHE 52 HB2 PHE 52 -9.440 -18.450 -11.616 402 2HB PHE 52 HB1 PHE 52 -8.182 -19.445 -12.327 403 HD1 PHE 52 HD1 PHE 52 -5.979 -18.492 -12.773 404 HD2 PHE 52 HD2 PHE 52 -9.310 -15.912 -11.874 405 HE1 PHE 52 HE1 PHE 52 -4.444 -16.550 -12.620 406 HE2 PHE 52 HE2 PHE 52 -7.767 -13.984 -11.723 407 HZ PHE 52 HZ PHE 52 -5.337 -14.299 -12.093 408 HA PRO 53 HA PRO 53 -8.123 -22.264 -15.125 409 1HB PRO 53 HB2 PRO 53 -10.251 -24.068 -14.900 410 2HB PRO 53 HB1 PRO 53 -9.078 -23.755 -13.602 411 1HG PRO 53 HG2 PRO 53 -11.782 -22.473 -14.021 412 2HG PRO 53 HG1 PRO 53 -11.124 -23.222 -12.542 413 1HD PRO 53 HD2 PRO 53 -11.002 -20.593 -12.766 414 2HD PRO 53 HD1 PRO 53 -9.552 -21.441 -12.211 415 H HIS 54 HN HIS 54 -11.242 -20.821 -15.914 416 HA HIS 54 HA HIS 54 -11.489 -22.051 -18.533 417 1HB HIS 54 HB2 HIS 54 -12.890 -19.668 -17.280 418 2HB HIS 54 HB1 HIS 54 -13.348 -20.411 -18.809 419 HD1 HIS 54 HD1 HIS 54 -14.670 -20.387 -15.662 420 HD2 HIS 54 HD2 HIS 54 -13.334 -23.561 -18.010 421 HE1 HIS 54 HE1 HIS 54 -15.802 -22.466 -14.769 422 HE2 HIS 54 HE2 HIS 54 -15.002 -24.408 -16.195 423 H PHE 55 HN PHE 55 -9.094 -20.287 -17.637 424 HA PHE 55 HA PHE 55 -8.884 -18.693 -20.147 425 1HB PHE 55 HB2 PHE 55 -9.376 -17.166 -18.240 426 2HB PHE 55 HB1 PHE 55 -7.992 -17.820 -17.377 427 HD1 PHE 55 HD1 PHE 55 -5.965 -16.509 -17.552 428 HD2 PHE 55 HD2 PHE 55 -8.797 -16.447 -20.803 429 HE1 PHE 55 HE1 PHE 55 -4.502 -14.961 -18.810 430 HE2 PHE 55 HE2 PHE 55 -7.325 -14.916 -22.039 431 HZ PHE 55 HZ PHE 55 -5.180 -14.166 -21.056 432 H ILE 56 HN ILE 56 -7.213 -20.466 -17.557 433 HA ILE 56 HA ILE 56 -4.661 -20.317 -18.909 434 HB ILE 56 HB ILE 56 -5.547 -22.248 -16.730 435 1HG1 ILE 56 HG12 ILE 56 -5.982 -19.964 -15.967 436 2HG1 ILE 56 HG11 ILE 56 -4.583 -20.605 -15.122 437 1HG2 ILE 56 HG21 ILE 56 -3.443 -22.903 -17.790 438 2HG2 ILE 56 HG22 ILE 56 -3.119 -22.285 -16.173 439 3HG2 ILE 56 HG23 ILE 56 -2.800 -21.275 -17.581 440 1HD1 ILE 56 HD11 ILE 56 -4.662 -18.527 -17.310 441 2HD1 ILE 56 HD12 ILE 56 -3.166 -19.371 -16.925 442 3HD1 ILE 56 HD13 ILE 56 -3.971 -18.399 -15.702 443 H SER 57 HN SER 57 -7.390 -22.504 -18.924 444 HA SER 57 HA SER 57 -6.205 -24.777 -20.096 445 1HB SER 57 HB2 SER 57 -9.021 -23.715 -20.434 446 2HB SER 57 HB1 SER 57 -8.489 -25.356 -20.793 447 HG SER 57 HG SER 57 -8.466 -25.790 -18.725 448 H GLN 58 HN GLN 58 -7.698 -21.898 -21.580 449 HA GLN 58 HA GLN 58 -7.430 -22.766 -24.281 450 1HB GLN 58 HB2 GLN 58 -8.964 -20.911 -23.471 451 2HB GLN 58 HB1 GLN 58 -7.540 -19.900 -23.254 452 1HG GLN 58 HG2 GLN 58 -8.552 -19.379 -25.413 453 2HG GLN 58 HG1 GLN 58 -7.019 -20.184 -25.703 454 1HE2 GLN 58 HE21 GLN 58 -7.154 -21.818 -27.250 455 2HE2 GLN 58 HE22 GLN 58 -8.555 -22.710 -27.603 456 H ILE 59 HN ILE 59 -5.309 -20.781 -22.214 457 HA ILE 59 HA ILE 59 -3.447 -20.118 -24.243 458 HB ILE 59 HB ILE 59 -3.050 -20.454 -21.239 459 1HG1 ILE 59 HG12 ILE 59 -3.434 -17.930 -22.912 460 2HG1 ILE 59 HG11 ILE 59 -4.735 -18.727 -22.030 461 1HG2 ILE 59 HG21 ILE 59 -1.234 -19.203 -23.352 462 2HG2 ILE 59 HG22 ILE 59 -0.842 -20.560 -22.297 463 3HG2 ILE 59 HG23 ILE 59 -1.016 -18.955 -21.622 464 1HD1 ILE 59 HD11 ILE 59 -2.215 -17.584 -20.786 465 2HD1 ILE 59 HD12 ILE 59 -3.510 -18.402 -19.914 466 3HD1 ILE 59 HD13 ILE 59 -3.819 -16.870 -20.723 467 H GLU 60 HN GLU 60 -3.497 -22.822 -21.903 468 HA GLU 60 HA GLU 60 -1.085 -24.007 -22.707 469 1HB GLU 60 HB2 GLU 60 -2.669 -24.531 -20.677 470 2HB GLU 60 HB1 GLU 60 -3.461 -25.661 -21.763 471 1HG GLU 60 HG2 GLU 60 -0.511 -25.672 -21.008 472 2HG GLU 60 HG1 GLU 60 -1.732 -26.790 -20.416 473 H SER 61 HN SER 61 -4.407 -24.558 -23.862 474 HA SER 61 HA SER 61 -3.707 -26.561 -25.764 475 1HB SER 61 HB2 SER 61 -6.032 -26.251 -24.961 476 2HB SER 61 HB1 SER 61 -6.093 -24.680 -25.755 477 HG SER 61 HG SER 61 -6.387 -27.180 -26.788 478 H MET 62 HN MET 62 -4.015 -23.026 -26.000 479 HA MET 62 HA MET 62 -3.795 -22.630 -28.757 480 1HB MET 62 HB2 MET 62 -4.117 -20.852 -27.011 481 2HB MET 62 HB1 MET 62 -2.411 -20.979 -26.621 482 1HG MET 62 HG2 MET 62 -1.806 -20.342 -28.923 483 2HG MET 62 HG1 MET 62 -3.508 -20.271 -29.367 484 1HE MET 62 HE1 MET 62 -4.846 -18.180 -29.299 485 2HE MET 62 HE2 MET 62 -4.879 -17.117 -27.895 486 3HE MET 62 HE3 MET 62 -5.217 -18.829 -27.698 487 H LEU 63 HN LEU 63 -1.185 -23.160 -26.434 488 HA LEU 63 HA LEU 63 0.969 -22.909 -28.271 489 1HB LEU 63 HB2 LEU 63 0.743 -24.503 -25.705 490 2HB LEU 63 HB1 LEU 63 2.256 -24.134 -26.526 491 HG LEU 63 HG LEU 63 0.325 -22.036 -25.454 492 1HD1 LEU 63 HD11 LEU 63 2.954 -23.035 -24.312 493 2HD1 LEU 63 HD12 LEU 63 1.354 -23.334 -23.630 494 3HD1 LEU 63 HD13 LEU 63 2.003 -21.696 -23.667 495 1HD2 LEU 63 HD21 LEU 63 3.025 -21.847 -26.841 496 2HD2 LEU 63 HD22 LEU 63 2.515 -20.588 -25.719 497 3HD2 LEU 63 HD23 LEU 63 1.552 -20.922 -27.143 498 H THR 64 HN THR 64 -1.065 -25.660 -27.334 499 HA THR 64 HA THR 64 0.450 -27.680 -28.678 500 HB THR 64 HB THR 64 -2.517 -27.718 -28.006 501 HG1 THR 64 HG1 THR 64 -1.967 -27.883 -26.010 502 1HG2 THR 64 HG21 THR 64 -2.125 -30.153 -27.784 503 2HG2 THR 64 HG22 THR 64 -0.452 -29.926 -28.287 504 3HG2 THR 64 HG23 THR 64 -1.765 -29.594 -29.416 505 H THR 65 HN THR 65 -2.737 -26.284 -29.535 506 HA THR 65 HA THR 65 -2.673 -27.331 -32.224 507 HB THR 65 HB THR 65 -4.780 -26.914 -30.942 508 HG1 THR 65 HG1 THR 65 -4.219 -26.426 -33.464 509 1HG2 THR 65 HG21 THR 65 -4.399 -23.984 -31.626 510 2HG2 THR 65 HG22 THR 65 -3.965 -24.630 -30.050 511 3HG2 THR 65 HG23 THR 65 -5.636 -24.697 -30.593 512 H GLY 66 HN GLY 66 -2.047 -24.193 -30.761 513 1HA GLY 66 HA2 GLY 66 -1.293 -23.007 -33.368 514 2HA GLY 66 HA1 GLY 66 -1.554 -22.147 -31.851 515 H GLU 67 HN GLU 67 0.580 -24.600 -33.319 516 HA GLU 67 HA GLU 67 2.652 -24.567 -31.453 517 1HB GLU 67 HB2 GLU 67 2.789 -24.870 -34.474 518 2HB GLU 67 HB1 GLU 67 4.108 -25.276 -33.372 519 1HG GLU 67 HG2 GLU 67 2.668 -26.923 -32.246 520 2HG GLU 67 HG1 GLU 67 1.343 -26.520 -33.333 521 H LEU 68 HN LEU 68 2.920 -22.414 -30.699 522 HA LEU 68 HA LEU 68 3.684 -20.336 -32.605 523 1HB LEU 68 HB2 LEU 68 2.432 -20.191 -30.198 524 2HB LEU 68 HB1 LEU 68 4.072 -20.006 -29.615 525 HG LEU 68 HG LEU 68 3.154 -17.790 -30.011 526 1HD1 LEU 68 HD11 LEU 68 4.995 -18.290 -32.367 527 2HD1 LEU 68 HD12 LEU 68 5.573 -18.312 -30.699 528 3HD1 LEU 68 HD13 LEU 68 4.860 -16.849 -31.366 529 1HD2 LEU 68 HD21 LEU 68 2.790 -18.068 -32.979 530 2HD2 LEU 68 HD22 LEU 68 1.858 -17.154 -31.801 531 3HD2 LEU 68 HD23 LEU 68 1.565 -18.871 -31.995 532 H ASN 69 HN ASN 69 5.747 -20.059 -33.314 533 HA ASN 69 HA ASN 69 7.983 -21.221 -31.751 534 1HB ASN 69 HB2 ASN 69 7.621 -21.031 -34.742 535 2HB ASN 69 HB1 ASN 69 9.086 -21.605 -33.941 536 1HD2 ASN 69 HD21 ASN 69 8.921 -23.604 -32.646 537 2HD2 ASN 69 HD22 ASN 69 7.685 -24.726 -32.957 538 HA PRO 70 HA PRO 70 9.742 -17.070 -31.680 539 1HB PRO 70 HB2 PRO 70 12.407 -18.374 -32.340 540 2HB PRO 70 HB1 PRO 70 12.011 -17.251 -31.026 541 1HG PRO 70 HG2 PRO 70 12.338 -19.866 -30.555 542 2HG PRO 70 HG1 PRO 70 11.094 -18.934 -29.719 543 1HD PRO 70 HD2 PRO 70 10.738 -20.891 -31.975 544 2HD PRO 70 HD1 PRO 70 9.696 -20.559 -30.571 545 H ARG 71 HN ARG 71 8.660 -16.406 -33.702 546 HA ARG 71 HA ARG 71 10.491 -16.276 -36.066 547 1HB ARG 71 HB2 ARG 71 8.694 -17.993 -36.387 548 2HB ARG 71 HB1 ARG 71 7.486 -16.735 -36.153 549 1HG ARG 71 HG2 ARG 71 8.357 -15.505 -38.109 550 2HG ARG 71 HG1 ARG 71 9.621 -16.713 -38.318 551 1HD ARG 71 HD2 ARG 71 7.878 -18.443 -38.697 552 2HD ARG 71 HD1 ARG 71 6.636 -17.205 -38.522 553 HE ARG 71 HE ARG 71 7.130 -16.449 -40.663 554 1HH1 ARG 71 HH21 ARG 71 9.696 -18.487 -39.498 555 2HH1 ARG 71 HH22 ARG 71 10.533 -18.522 -41.013 556 1HH2 ARG 71 HH11 ARG 71 8.248 -16.484 -42.636 557 2HH2 ARG 71 HH12 ARG 71 9.717 -17.391 -42.782 558 H HIS 72 HN HIS 72 7.508 -14.961 -34.617 559 HA HIS 72 HA HIS 72 8.450 -12.215 -34.892 560 1HB HIS 72 HB2 HIS 72 6.860 -11.484 -36.548 561 2HB HIS 72 HB1 HIS 72 7.704 -12.875 -37.229 562 HD1 HIS 72 HD1 HIS 72 4.693 -11.870 -37.915 563 HD2 HIS 72 HD2 HIS 72 5.734 -15.133 -35.536 564 HE1 HIS 72 HE1 HIS 72 2.672 -13.398 -37.860 565 HE2 HIS 72 HE2 HIS 72 3.295 -15.392 -36.420 566 H ALA 73 HN ALA 73 7.183 -10.710 -33.860 567 HA ALA 73 HA ALA 73 5.801 -11.513 -31.577 568 1HB ALA 73 HB1 ALA 73 6.762 -9.265 -31.830 569 2HB ALA 73 HB2 ALA 73 5.040 -9.138 -31.460 570 3HB ALA 73 HB3 ALA 73 5.607 -8.900 -33.111 571 H GLN 74 HN GLN 74 3.546 -11.514 -31.068 572 HA GLN 74 HA GLN 74 1.557 -11.111 -33.141 573 1HB GLN 74 HB2 GLN 74 2.595 -13.564 -33.285 574 2HB GLN 74 HB1 GLN 74 1.579 -13.887 -31.890 575 1HG GLN 74 HG2 GLN 74 0.645 -12.866 -34.602 576 2HG GLN 74 HG1 GLN 74 0.398 -14.485 -33.959 577 1HE2 GLN 74 HE21 GLN 74 -1.238 -11.655 -34.430 578 2HE2 GLN 74 HE22 GLN 74 -2.342 -11.744 -33.144 579 H CYS 75 HN CYS 75 -0.422 -10.625 -32.241 580 HA CYS 75 HA CYS 75 -0.739 -10.872 -29.302 581 1HB CYS 75 HB2 CYS 75 -0.069 -8.553 -29.883 582 2HB CYS 75 HB1 CYS 75 -1.456 -8.435 -30.965 583 HG CYS 75 HG CYS 75 -2.089 -7.514 -28.542 584 H VAL 76 HN VAL 76 -2.793 -11.319 -28.627 585 HA VAL 76 HA VAL 76 -4.991 -11.372 -30.581 586 HB VAL 76 HB VAL 76 -3.952 -13.602 -30.718 587 1HG1 VAL 76 HG11 VAL 76 -3.837 -15.088 -28.790 588 2HG1 VAL 76 HG12 VAL 76 -4.608 -13.888 -27.758 589 3HG1 VAL 76 HG13 VAL 76 -2.989 -13.596 -28.394 590 1HG2 VAL 76 HG21 VAL 76 -5.959 -14.942 -30.300 591 2HG2 VAL 76 HG22 VAL 76 -6.442 -13.365 -30.923 592 3HG2 VAL 76 HG23 VAL 76 -6.589 -13.718 -29.204 593 H THR 77 HN THR 77 -7.016 -11.152 -29.646 594 HA THR 77 HA THR 77 -7.138 -10.598 -26.708 595 HB THR 77 HB THR 77 -8.941 -9.019 -27.260 596 HG1 THR 77 HG1 THR 77 -8.567 -10.180 -29.737 597 1HG2 THR 77 HG21 THR 77 -6.450 -8.545 -28.929 598 2HG2 THR 77 HG22 THR 77 -6.600 -8.201 -27.205 599 3HG2 THR 77 HG23 THR 77 -7.571 -7.304 -28.372 600 H LEU 78 HN LEU 78 -8.171 -12.173 -25.701 601 HA LEU 78 HA LEU 78 -10.190 -13.829 -27.096 602 1HB LEU 78 HB2 LEU 78 -8.852 -14.232 -24.388 603 2HB LEU 78 HB1 LEU 78 -9.834 -15.406 -25.261 604 HG LEU 78 HG LEU 78 -7.167 -14.288 -26.218 605 1HD1 LEU 78 HD11 LEU 78 -6.308 -16.560 -25.727 606 2HD1 LEU 78 HD12 LEU 78 -7.890 -17.018 -25.096 607 3HD1 LEU 78 HD13 LEU 78 -6.934 -15.788 -24.272 608 1HD2 LEU 78 HD21 LEU 78 -8.432 -14.897 -28.173 609 2HD2 LEU 78 HD22 LEU 78 -9.070 -16.349 -27.407 610 3HD2 LEU 78 HD23 LEU 78 -7.372 -16.259 -27.872 611 H TYR 79 HN TYR 79 -12.324 -13.721 -26.514 612 HA TYR 79 HA TYR 79 -13.103 -11.915 -24.270 613 1HB TYR 79 HB2 TYR 79 -15.172 -11.540 -25.587 614 2HB TYR 79 HB1 TYR 79 -13.733 -11.040 -26.472 615 HD1 TYR 79 HD1 TYR 79 -12.861 -12.403 -28.375 616 HD2 TYR 79 HD2 TYR 79 -16.474 -13.509 -26.314 617 HE1 TYR 79 HE1 TYR 79 -13.441 -13.962 -30.215 618 HE2 TYR 79 HE2 TYR 79 -17.046 -15.063 -28.158 619 HH TYR 79 HH TYR 79 -14.785 -15.822 -30.702 620 H HIS 80 HN HIS 80 -14.155 -12.883 -22.640 621 HA HIS 80 HA HIS 80 -15.909 -15.180 -23.066 622 1HB HIS 80 HB2 HIS 80 -14.668 -16.569 -21.366 623 2HB HIS 80 HB1 HIS 80 -13.768 -16.324 -22.863 624 HD1 HIS 80 HD1 HIS 80 -13.285 -16.183 -19.338 625 HD2 HIS 80 HD2 HIS 80 -11.983 -13.831 -22.525 626 HE1 HIS 80 HE1 HIS 80 -11.274 -14.892 -18.501 627 HE2 HIS 80 HE2 HIS 80 -10.470 -13.451 -20.432 628 H ASN 81 HN ASN 81 -17.486 -15.277 -21.438 629 HA ASN 81 HA ASN 81 -18.855 -14.344 -19.846 630 1HB ASN 81 HB2 ASN 81 -17.941 -14.495 -17.603 631 2HB ASN 81 HB1 ASN 81 -17.327 -15.836 -18.568 632 1HD2 ASN 81 HD21 ASN 81 -16.425 -12.949 -16.815 633 2HD2 ASN 81 HD22 ASN 81 -14.750 -13.100 -17.046 634 H GLY 82 HN GLY 82 -17.541 -12.387 -21.580 635 1HA GLY 82 HA2 GLY 82 -17.800 -10.086 -21.773 636 2HA GLY 82 HA1 GLY 82 -18.141 -9.973 -20.047 637 H PHE 83 HN PHE 83 -15.656 -11.609 -19.451 638 HA PHE 83 HA PHE 83 -13.830 -9.426 -19.132 639 1HB PHE 83 HB2 PHE 83 -13.776 -12.399 -18.576 640 2HB PHE 83 HB1 PHE 83 -12.252 -11.525 -18.532 641 HD1 PHE 83 HD1 PHE 83 -11.619 -10.897 -16.299 642 HD2 PHE 83 HD2 PHE 83 -15.791 -10.862 -17.383 643 HE1 PHE 83 HE1 PHE 83 -12.206 -10.076 -14.054 644 HE2 PHE 83 HE2 PHE 83 -16.363 -10.043 -15.128 645 HZ PHE 83 HZ PHE 83 -14.579 -9.649 -13.455 646 H THR 84 HN THR 84 -11.804 -9.122 -20.084 647 HA THR 84 HA THR 84 -11.128 -10.637 -22.522 648 HB THR 84 HB THR 84 -11.293 -7.594 -22.469 649 HG1 THR 84 HG1 THR 84 -12.966 -9.040 -24.104 650 1HG2 THR 84 HG21 THR 84 -9.636 -8.510 -24.047 651 2HG2 THR 84 HG22 THR 84 -11.013 -7.835 -24.917 652 3HG2 THR 84 HG23 THR 84 -10.863 -9.581 -24.726 653 H CYS 85 HN CYS 85 -9.180 -11.387 -21.922 654 HA CYS 85 HA CYS 85 -7.327 -9.749 -20.331 655 1HB CYS 85 HB2 CYS 85 -7.108 -12.599 -21.329 656 2HB CYS 85 HB1 CYS 85 -6.017 -11.828 -20.181 657 HG CYS 85 HG CYS 85 -8.742 -12.999 -19.512 658 H GLU 86 HN GLU 86 -5.278 -9.023 -21.223 659 HA GLU 86 HA GLU 86 -5.105 -9.140 -24.164 660 1HB GLU 86 HB2 GLU 86 -3.689 -7.411 -22.099 661 2HB GLU 86 HB1 GLU 86 -3.486 -7.261 -23.846 662 1HG GLU 86 HG2 GLU 86 -6.131 -6.933 -22.375 663 2HG GLU 86 HG1 GLU 86 -5.112 -5.604 -22.914 664 H ALA 87 HN ALA 87 -3.327 -10.056 -25.167 665 HA ALA 87 HA ALA 87 -1.076 -11.062 -23.533 666 1HB ALA 87 HB1 ALA 87 -2.710 -12.897 -23.619 667 2HB ALA 87 HB2 ALA 87 -1.269 -13.300 -24.553 668 3HB ALA 87 HB3 ALA 87 -2.745 -12.795 -25.379 669 H ASP 88 HN ASP 88 0.839 -11.413 -24.734 670 HA ASP 88 HA ASP 88 0.895 -11.198 -27.581 671 1HB ASP 88 HB2 ASP 88 0.538 -8.798 -26.881 672 2HB ASP 88 HB1 ASP 88 2.081 -8.860 -26.036 673 H THR 89 HN THR 89 2.765 -12.166 -28.338 674 HA THR 89 HA THR 89 4.534 -13.334 -26.371 675 HB THR 89 HB THR 89 4.755 -13.418 -29.416 676 HG1 THR 89 HG1 THR 89 2.692 -14.059 -28.682 677 1HG2 THR 89 HG21 THR 89 5.866 -15.570 -28.998 678 2HG2 THR 89 HG22 THR 89 5.637 -15.361 -27.264 679 3HG2 THR 89 HG23 THR 89 6.713 -14.279 -28.148 680 H LEU 90 HN LEU 90 4.765 -10.900 -28.924 681 HA LEU 90 HA LEU 90 6.290 -9.291 -29.411 682 1HB LEU 90 HB2 LEU 90 7.097 -9.579 -26.500 683 2HB LEU 90 HB1 LEU 90 7.446 -8.201 -27.533 684 HG LEU 90 HG LEU 90 4.622 -9.128 -26.842 685 1HD1 LEU 90 HD11 LEU 90 4.554 -7.191 -25.310 686 2HD1 LEU 90 HD12 LEU 90 6.243 -6.838 -25.677 687 3HD1 LEU 90 HD13 LEU 90 5.816 -8.324 -24.830 688 1HD2 LEU 90 HD21 LEU 90 4.576 -7.838 -28.902 689 2HD2 LEU 90 HD22 LEU 90 5.708 -6.655 -28.263 690 3HD2 LEU 90 HD23 LEU 90 4.066 -6.743 -27.632 691 H GLY 91 HN GLY 91 7.006 -11.988 -29.973 692 1HA GLY 91 HA2 GLY 91 8.785 -13.282 -30.589 693 2HA GLY 91 HA1 GLY 91 9.706 -11.785 -30.645 694 H SER 92 HN SER 92 8.409 -12.185 -27.598 695 HA SER 92 HA SER 92 10.962 -13.168 -26.422 696 1HB SER 92 HB2 SER 92 10.119 -10.915 -25.751 697 2HB SER 92 HB1 SER 92 8.659 -11.671 -25.119 698 HG SER 92 HG SER 92 11.344 -11.958 -24.264 699 H CYS 93 HN CYS 93 9.622 -15.303 -27.407 700 HA CYS 93 HA CYS 93 7.464 -16.213 -25.908 701 1HB CYS 93 HB2 CYS 93 8.040 -18.504 -26.778 702 2HB CYS 93 HB1 CYS 93 8.182 -17.292 -28.057 703 HG CYS 93 HG CYS 93 10.613 -18.536 -26.544 704 H GLY 94 HN GLY 94 10.808 -16.070 -25.055 705 1HA GLY 94 HA2 GLY 94 10.882 -18.075 -23.101 706 2HA GLY 94 HA1 GLY 94 11.909 -16.652 -23.165 707 H TYR 95 HN TYR 95 9.124 -15.176 -23.238 708 HA TYR 95 HA TYR 95 8.192 -15.453 -20.484 709 1HB TYR 95 HB2 TYR 95 9.518 -12.887 -21.432 710 2HB TYR 95 HB1 TYR 95 8.644 -13.097 -19.919 711 HD1 TYR 95 HD1 TYR 95 9.399 -15.017 -18.336 712 HD2 TYR 95 HD2 TYR 95 11.890 -13.427 -21.478 713 HE1 TYR 95 HE1 TYR 95 11.407 -15.944 -17.229 714 HE2 TYR 95 HE2 TYR 95 13.889 -14.364 -20.356 715 HH TYR 95 HH TYR 95 13.761 -15.659 -17.149 716 H VAL 96 HN VAL 96 6.037 -15.327 -20.719 717 HA VAL 96 HA VAL 96 4.805 -13.772 -22.926 718 HB VAL 96 HB VAL 96 3.529 -15.835 -21.079 719 1HG1 VAL 96 HG11 VAL 96 2.715 -14.742 -23.803 720 2HG1 VAL 96 HG12 VAL 96 1.976 -14.303 -22.270 721 3HG1 VAL 96 HG13 VAL 96 1.832 -15.951 -22.866 722 1HG2 VAL 96 HG21 VAL 96 5.364 -16.910 -22.305 723 2HG2 VAL 96 HG22 VAL 96 4.795 -16.209 -23.820 724 3HG2 VAL 96 HG23 VAL 96 3.822 -17.421 -22.986 725 H TYR 97 HN TYR 97 4.253 -11.749 -22.329 726 HA TYR 97 HA TYR 97 3.657 -11.051 -19.538 727 1HB TYR 97 HB2 TYR 97 3.722 -9.312 -22.038 728 2HB TYR 97 HB1 TYR 97 3.699 -8.755 -20.363 729 HD1 TYR 97 HD1 TYR 97 5.703 -10.510 -22.946 730 HD2 TYR 97 HD2 TYR 97 5.735 -8.859 -18.970 731 HE1 TYR 97 HE1 TYR 97 8.162 -10.732 -22.874 732 HE2 TYR 97 HE2 TYR 97 8.207 -9.081 -18.911 733 HH TYR 97 HH TYR 97 10.078 -9.501 -21.549 734 H ILE 98 HN ILE 98 1.563 -10.799 -18.800 735 HA ILE 98 HA ILE 98 -0.598 -10.306 -20.740 736 HB ILE 98 HB ILE 98 -2.040 -12.021 -19.565 737 1HG1 ILE 98 HG12 ILE 98 0.595 -12.914 -18.312 738 2HG1 ILE 98 HG11 ILE 98 -0.660 -12.054 -17.435 739 1HG2 ILE 98 HG21 ILE 98 0.510 -13.177 -20.738 740 2HG2 ILE 98 HG22 ILE 98 -0.833 -12.563 -21.689 741 3HG2 ILE 98 HG23 ILE 98 -1.056 -13.976 -20.673 742 1HD1 ILE 98 HD11 ILE 98 -2.258 -13.890 -17.958 743 2HD1 ILE 98 HD12 ILE 98 -0.881 -14.426 -16.998 744 3HD1 ILE 98 HD13 ILE 98 -0.939 -14.781 -18.722 745 H ALA 99 HN ALA 99 -2.566 -9.559 -19.684 746 HA ALA 99 HA ALA 99 -2.394 -8.580 -16.928 747 1HB ALA 99 HB1 ALA 99 -2.688 -6.628 -19.251 748 2HB ALA 99 HB2 ALA 99 -1.232 -6.797 -18.272 749 3HB ALA 99 HB3 ALA 99 -2.728 -6.233 -17.529 750 H VAL 100 HN VAL 100 -4.151 -9.280 -16.161 751 HA VAL 100 HA VAL 100 -6.666 -9.475 -17.696 752 HB VAL 100 HB VAL 100 -6.061 -10.296 -14.822 753 1HG1 VAL 100 HG11 VAL 100 -8.466 -9.997 -15.231 754 2HG1 VAL 100 HG12 VAL 100 -8.112 -11.716 -15.147 755 3HG1 VAL 100 HG13 VAL 100 -8.364 -10.946 -16.713 756 1HG2 VAL 100 HG21 VAL 100 -5.906 -12.596 -15.754 757 2HG2 VAL 100 HG22 VAL 100 -4.639 -11.544 -16.379 758 3HG2 VAL 100 HG23 VAL 100 -6.033 -11.931 -17.383 759 H TYR 101 HN TYR 101 -8.345 -8.121 -17.381 760 HA TYR 101 HA TYR 101 -8.401 -6.347 -15.038 761 1HB TYR 101 HB2 TYR 101 -7.199 -5.090 -16.797 762 2HB TYR 101 HB1 TYR 101 -8.562 -5.324 -17.892 763 HD1 TYR 101 HD1 TYR 101 -10.625 -4.025 -17.626 764 HD2 TYR 101 HD2 TYR 101 -7.475 -3.721 -14.718 765 HE1 TYR 101 HE1 TYR 101 -11.776 -2.100 -16.577 766 HE2 TYR 101 HE2 TYR 101 -8.627 -1.813 -13.671 767 HH TYR 101 HH TYR 101 -11.816 -0.999 -14.282 768 HA PRO 102 HA PRO 102 -12.718 -7.669 -15.727 769 1HB PRO 102 HB2 PRO 102 -13.956 -6.469 -13.599 770 2HB PRO 102 HB1 PRO 102 -12.882 -7.864 -13.379 771 1HG PRO 102 HG2 PRO 102 -12.261 -4.944 -13.011 772 2HG PRO 102 HG1 PRO 102 -11.853 -6.315 -11.954 773 1HD PRO 102 HD2 PRO 102 -10.039 -5.248 -13.728 774 2HD PRO 102 HD1 PRO 102 -10.020 -6.975 -13.291 775 H THR 103 HN THR 103 -14.526 -6.814 -16.759 776 HA THR 103 HA THR 103 -14.285 -4.106 -17.846 777 HB THR 103 HB THR 103 -16.252 -4.756 -19.191 778 HG1 THR 103 HG1 THR 103 -16.941 -6.987 -18.898 779 1HG2 THR 103 HG21 THR 103 -14.150 -6.942 -19.052 780 2HG2 THR 103 HG22 THR 103 -13.981 -5.424 -19.938 781 3HG2 THR 103 HG23 THR 103 -15.199 -6.598 -20.426 782 H GLN 104 HN GLN 104 -15.575 -2.379 -17.305 783 HA GLN 104 HA GLN 104 -16.853 -2.348 -14.771 784 1HB GLN 104 HB2 GLN 104 -15.823 -0.368 -15.972 785 2HB GLN 104 HB1 GLN 104 -17.205 -0.371 -17.059 786 1HG GLN 104 HG2 GLN 104 -17.614 1.276 -15.314 787 2HG GLN 104 HG1 GLN 104 -18.712 -0.072 -15.049 788 1HE2 GLN 104 HE21 GLN 104 -15.255 0.494 -14.178 789 2HE2 GLN 104 HE22 GLN 104 -15.461 0.137 -12.532 790 H ARG 105 HN ARG 105 -18.133 -2.369 -18.086 791 HA ARG 105 HA ARG 105 -20.443 -3.899 -17.406 792 1HB ARG 105 HB2 ARG 105 -22.136 -2.096 -17.842 793 2HB ARG 105 HB1 ARG 105 -21.217 -1.836 -16.363 794 1HG ARG 105 HG2 ARG 105 -19.718 -0.264 -17.564 795 2HG ARG 105 HG1 ARG 105 -20.649 -0.507 -19.040 796 1HD ARG 105 HD2 ARG 105 -22.665 0.364 -17.917 797 2HD ARG 105 HD1 ARG 105 -21.739 0.607 -16.438 798 HE ARG 105 HE ARG 105 -20.434 1.977 -18.523 799 1HH1 ARG 105 HH21 ARG 105 -23.407 2.065 -16.723 800 2HH1 ARG 105 HH22 ARG 105 -23.609 3.778 -16.887 801 1HH2 ARG 105 HH11 ARG 105 -20.707 4.221 -18.728 802 2HH2 ARG 105 HH12 ARG 105 -22.085 4.994 -18.018
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