NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1550 | 1ap7 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT2 GLY 1 -33.886 -21.027 -21.027 2 2H GLY 1 HT1 GLY 1 -35.458 -21.380 -21.380 3 3H GLY 1 HT3 GLY 1 -34.293 -22.607 -22.607 4 1HA GLY 1 HA1 GLY 1 -34.420 -22.095 -22.095 5 2HA GLY 1 HA2 GLY 1 -34.512 -20.373 -20.373 6 H SER 2 HN SER 2 -32.766 -20.789 -20.789 7 HA SER 2 HA SER 2 -30.146 -21.035 -21.035 8 1HB SER 2 HB1 SER 2 -30.781 -22.678 -22.678 9 2HB SER 2 HB2 SER 2 -30.594 -21.306 -21.306 10 HG SER 2 HG SER 2 -28.694 -22.827 -22.827 11 H MET 3 HN MET 3 -28.577 -19.484 -19.484 12 HA MET 3 HA MET 3 -27.780 -17.373 -17.373 13 1HB MET 3 HB1 MET 3 -29.049 -18.142 -18.142 14 2HB MET 3 HB2 MET 3 -28.857 -16.406 -16.406 15 1HG MET 3 HG1 MET 3 -26.481 -16.677 -16.677 16 2HG MET 3 HG2 MET 3 -26.643 -18.430 -18.430 17 1HE MET 3 HE3 MET 3 -25.474 -19.278 -19.278 18 2HE MET 3 HE2 MET 3 -26.657 -19.693 -19.693 19 3HE MET 3 HE1 MET 3 -25.201 -18.798 -18.798 20 H LEU 4 HN LEU 4 -29.157 -16.791 -16.791 21 HA LEU 4 HA LEU 4 -31.339 -14.970 -14.970 22 1HB LEU 4 HB1 LEU 4 -31.931 -15.235 -15.235 23 2HB LEU 4 HB2 LEU 4 -32.361 -16.506 -16.506 24 HG LEU 4 HG LEU 4 -29.725 -16.850 -16.850 25 1HD1 LEU 4 HD21 LEU 4 -32.204 -16.552 -16.552 26 2HD1 LEU 4 HD23 LEU 4 -31.043 -17.805 -17.805 27 3HD1 LEU 4 HD22 LEU 4 -30.540 -16.116 -16.116 28 1HD2 LEU 4 HD13 LEU 4 -32.144 -18.578 -18.578 29 2HD2 LEU 4 HD12 LEU 4 -30.614 -18.593 -18.593 30 3HD2 LEU 4 HD11 LEU 4 -30.676 -19.145 -19.145 31 H LEU 5 HN LEU 5 -28.195 -15.112 -15.112 32 HA LEU 5 HA LEU 5 -28.428 -12.400 -12.400 33 1HB LEU 5 HB1 LEU 5 -27.198 -14.788 -14.788 34 2HB LEU 5 HB2 LEU 5 -26.004 -13.518 -13.518 35 HG LEU 5 HG LEU 5 -26.847 -13.376 -13.376 36 1HD1 LEU 5 HD12 LEU 5 -27.436 -11.283 -11.283 37 2HD1 LEU 5 HD11 LEU 5 -28.426 -11.176 -11.176 38 3HD1 LEU 5 HD13 LEU 5 -26.667 -11.181 -11.181 39 1HD2 LEU 5 HD21 LEU 5 -29.609 -13.335 -13.335 40 2HD2 LEU 5 HD23 LEU 5 -28.888 -14.662 -14.662 41 3HD2 LEU 5 HD22 LEU 5 -29.228 -13.127 -13.127 42 H GLU 6 HN GLU 6 -27.795 -11.032 -11.032 43 HA GLU 6 HA GLU 6 -25.253 -11.597 -11.597 44 1HB GLU 6 HB2 GLU 6 -27.492 -11.665 -11.665 45 2HB GLU 6 HB1 GLU 6 -27.376 -9.912 -9.912 46 1HG GLU 6 HG2 GLU 6 -25.496 -9.834 -9.834 47 2HG GLU 6 HG1 GLU 6 -25.027 -11.489 -11.489 48 H GLU 7 HN GLU 7 -23.721 -10.140 -10.140 49 HA GLU 7 HA GLU 7 -24.498 -7.376 -7.376 50 1HB GLU 7 HB1 GLU 7 -24.043 -8.419 -8.419 51 2HB GLU 7 HB2 GLU 7 -22.514 -9.052 -9.052 52 1HG GLU 7 HG1 GLU 7 -21.450 -7.054 -7.054 53 2HG GLU 7 HG2 GLU 7 -22.917 -6.119 -6.119 54 H VAL 8 HN VAL 8 -23.731 -8.102 -8.102 55 HA VAL 8 HA VAL 8 -20.927 -7.203 -7.203 56 HB VAL 8 HB VAL 8 -21.286 -9.464 -9.464 57 1HG1 VAL 8 HG23 VAL 8 -23.314 -8.036 -8.036 58 2HG1 VAL 8 HG22 VAL 8 -22.571 -9.548 -9.548 59 3HG1 VAL 8 HG21 VAL 8 -23.511 -9.498 -9.498 60 1HG2 VAL 8 HG13 VAL 8 -19.747 -7.580 -7.580 61 2HG2 VAL 8 HG12 VAL 8 -19.915 -9.150 -9.150 62 3HG2 VAL 8 HG11 VAL 8 -20.830 -7.764 -7.764 63 H CYS 9 HN CYS 9 -24.212 -6.632 -6.632 64 HA CYS 9 HA CYS 9 -24.043 -5.076 -5.076 65 1HB CYS 9 HB2 CYS 9 -26.164 -5.561 -5.561 66 2HB CYS 9 HB1 CYS 9 -25.717 -4.508 -4.508 67 HG CYS 9 HG CYS 9 -25.827 -3.030 -3.030 68 H VAL 10 HN VAL 10 -23.149 -4.190 -4.190 69 HA VAL 10 HA VAL 10 -22.443 -1.485 -1.485 70 HB VAL 10 HB VAL 10 -22.422 -2.851 -2.851 71 1HG1 VAL 10 HG12 VAL 10 -20.518 -1.335 -1.335 72 2HG1 VAL 10 HG11 VAL 10 -21.576 -0.034 -0.034 73 3HG1 VAL 10 HG13 VAL 10 -21.760 -0.698 -0.698 74 1HG2 VAL 10 HG23 VAL 10 -24.567 -1.984 -1.984 75 2HG2 VAL 10 HG22 VAL 10 -24.292 -1.594 -1.594 76 3HG2 VAL 10 HG21 VAL 10 -23.958 -0.391 -0.391 77 H GLY 11 HN GLY 11 -20.997 -4.549 -4.549 78 1HA GLY 11 HA2 GLY 11 -18.409 -3.975 -3.975 79 2HA GLY 11 HA1 GLY 11 -18.843 -5.276 -5.276 80 H ASP 12 HN ASP 12 -18.909 -4.828 -4.828 81 HA ASP 12 HA ASP 12 -16.694 -3.506 -3.506 82 1HB ASP 12 HB2 ASP 12 -17.796 -3.647 -3.647 83 2HB ASP 12 HB1 ASP 12 -17.870 -5.160 -5.160 84 H ARG 13 HN ARG 13 -19.863 -2.244 -2.244 85 HA ARG 13 HA ARG 13 -20.159 0.013 0.013 86 1HB ARG 13 HB1 ARG 13 -21.616 -0.639 -0.639 87 2HB ARG 13 HB2 ARG 13 -20.379 -0.106 -0.106 88 1HG ARG 13 HG1 ARG 13 -20.971 2.034 2.034 89 2HG ARG 13 HG2 ARG 13 -21.122 1.939 1.939 90 1HD ARG 13 HD1 ARG 13 -23.278 0.523 0.523 91 2HD ARG 13 HD2 ARG 13 -23.161 1.527 1.527 92 HE ARG 13 HE ARG 13 -23.953 3.266 3.266 93 1HH1 ARG 13 HH11 ARG 13 -22.528 0.941 0.941 94 2HH1 ARG 13 HH12 ARG 13 -22.974 1.807 1.807 95 1HH2 ARG 13 HH21 ARG 13 -24.546 4.415 4.415 96 2HH2 ARG 13 HH22 ARG 13 -24.121 3.783 3.783 97 H LEU 14 HN LEU 14 -18.568 0.381 0.381 98 HA LEU 14 HA LEU 14 -17.181 2.722 2.722 99 1HB LEU 14 HB2 LEU 14 -17.635 2.807 2.807 100 2HB LEU 14 HB1 LEU 14 -17.314 1.102 1.102 101 HG LEU 14 HG LEU 14 -14.841 1.699 1.699 102 1HD1 LEU 14 HD23 LEU 14 -16.075 4.289 4.289 103 2HD1 LEU 14 HD22 LEU 14 -14.895 4.284 4.284 104 3HD1 LEU 14 HD21 LEU 14 -14.411 3.796 3.796 105 1HD2 LEU 14 HD11 LEU 14 -16.546 2.088 2.088 106 2HD2 LEU 14 HD13 LEU 14 -15.059 1.160 1.160 107 3HD2 LEU 14 HD12 LEU 14 -14.984 2.901 2.901 108 H SER 15 HN SER 15 -16.464 -0.652 -0.652 109 HA SER 15 HA SER 15 -13.643 -0.518 -0.518 110 1HB SER 15 HB1 SER 15 -14.017 -2.719 -2.719 111 2HB SER 15 HB2 SER 15 -15.675 -2.543 -2.543 112 HG SER 15 HG SER 15 -13.734 -3.703 -3.703 113 H GLY 16 HN GLY 16 -15.981 -0.740 -0.740 114 1HA GLY 16 HA2 GLY 16 -13.972 -0.548 -0.548 115 2HA GLY 16 HA1 GLY 16 -15.706 -0.400 -0.400 116 H ALA 17 HN ALA 17 -15.858 1.777 1.777 117 HA ALA 17 HA ALA 17 -15.468 3.956 3.956 118 1HB ALA 17 HB1 ALA 17 -16.647 3.552 3.552 119 2HB ALA 17 HB3 ALA 17 -15.953 5.151 5.151 120 3HB ALA 17 HB2 ALA 17 -17.199 4.540 4.540 121 H ALA 18 HN ALA 18 -14.013 3.186 3.186 122 HA ALA 18 HA ALA 18 -12.138 5.265 5.265 123 1HB ALA 18 HB3 ALA 18 -12.348 2.657 2.657 124 2HB ALA 18 HB2 ALA 18 -10.880 3.623 3.623 125 3HB ALA 18 HB1 ALA 18 -12.434 4.300 4.300 126 H ALA 19 HN ALA 19 -11.988 2.008 2.008 127 HA ALA 19 HA ALA 19 -9.206 2.101 2.101 128 1HB ALA 19 HB2 ALA 19 -11.463 0.273 0.273 129 2HB ALA 19 HB1 ALA 19 -9.929 0.139 0.139 130 3HB ALA 19 HB3 ALA 19 -9.979 -0.061 -0.061 131 H ARG 20 HN ARG 20 -12.153 2.968 2.968 132 HA ARG 20 HA ARG 20 -10.968 3.209 3.209 133 1HB ARG 20 HB2 ARG 20 -13.027 4.026 4.026 134 2HB ARG 20 HB1 ARG 20 -13.464 2.980 2.980 135 1HG ARG 20 HG1 ARG 20 -14.506 4.660 4.660 136 2HG ARG 20 HG2 ARG 20 -13.007 5.591 5.591 137 1HD ARG 20 HD2 ARG 20 -13.666 6.909 6.909 138 2HD ARG 20 HD1 ARG 20 -14.229 5.541 5.541 139 HE ARG 20 HE ARG 20 -15.937 6.348 6.348 140 1HH1 ARG 20 HH11 ARG 20 -15.241 6.551 6.551 141 2HH1 ARG 20 HH12 ARG 20 -16.842 7.055 7.055 142 1HH2 ARG 20 HH21 ARG 20 -18.047 7.010 7.010 143 2HH2 ARG 20 HH22 ARG 20 -18.437 7.318 7.318 144 H GLY 21 HN GLY 21 -10.646 5.040 5.040 145 1HA GLY 21 HA1 GLY 21 -9.502 6.998 6.998 146 2HA GLY 21 HA2 GLY 21 -9.079 7.022 7.022 147 H ASP 22 HN ASP 22 -11.715 7.732 7.732 148 HA ASP 22 HA ASP 22 -12.361 10.098 10.098 149 1HB ASP 22 HB1 ASP 22 -13.846 7.899 7.899 150 2HB ASP 22 HB2 ASP 22 -14.711 8.547 8.547 151 H VAL 23 HN VAL 23 -11.440 11.228 11.228 152 HA VAL 23 HA VAL 23 -12.055 10.952 10.952 153 HB VAL 23 HB VAL 23 -10.331 12.500 12.500 154 1HG1 VAL 23 HG11 VAL 23 -12.569 13.687 13.687 155 2HG1 VAL 23 HG13 VAL 23 -12.089 14.803 14.803 156 3HG1 VAL 23 HG12 VAL 23 -10.936 14.352 14.352 157 1HG2 VAL 23 HG22 VAL 23 -11.838 12.743 12.743 158 2HG2 VAL 23 HG21 VAL 23 -10.114 12.984 12.984 159 3HG2 VAL 23 HG23 VAL 23 -11.243 14.318 14.318 160 H GLN 24 HN GLN 24 -14.016 12.173 12.173 161 HA GLN 24 HA GLN 24 -15.794 13.739 13.739 162 1HB GLN 24 HB1 GLN 24 -16.159 12.445 12.445 163 2HB GLN 24 HB2 GLN 24 -17.301 13.568 13.568 164 1HG GLN 24 HG2 GLN 24 -15.814 15.367 15.367 165 2HG GLN 24 HG1 GLN 24 -14.433 14.308 14.308 166 1HE2 GLN 24 HE22 GLN 24 -16.830 15.488 15.488 167 2HE2 GLN 24 HE21 GLN 24 -17.221 15.822 15.822 168 H GLU 25 HN GLU 25 -15.885 10.414 10.414 169 HA GLU 25 HA GLU 25 -18.425 9.820 9.820 170 1HB GLU 25 HB1 GLU 25 -16.268 7.914 7.914 171 2HB GLU 25 HB2 GLU 25 -17.956 7.513 7.513 172 1HG GLU 25 HG1 GLU 25 -16.704 8.952 8.952 173 2HG GLU 25 HG2 GLU 25 -17.984 7.739 7.739 174 H VAL 26 HN VAL 26 -15.075 8.984 8.984 175 HA VAL 26 HA VAL 26 -15.637 7.516 7.516 176 HB VAL 26 HB VAL 26 -13.231 9.186 9.186 177 1HG1 VAL 26 HG22 VAL 26 -13.936 8.021 8.021 178 2HG1 VAL 26 HG21 VAL 26 -12.438 7.342 7.342 179 3HG1 VAL 26 HG23 VAL 26 -12.595 9.086 9.086 180 1HG2 VAL 26 HG13 VAL 26 -14.152 6.560 6.560 181 2HG2 VAL 26 HG12 VAL 26 -12.731 7.432 7.432 182 3HG2 VAL 26 HG11 VAL 26 -12.630 6.449 6.449 183 H ARG 27 HN ARG 27 -15.561 10.952 10.952 184 HA ARG 27 HA ARG 27 -15.443 11.746 11.746 185 1HB ARG 27 HB1 ARG 27 -15.864 13.044 13.044 186 2HB ARG 27 HB2 ARG 27 -16.580 13.865 13.865 187 1HG ARG 27 HG1 ARG 27 -13.830 13.011 13.011 188 2HG ARG 27 HG2 ARG 27 -14.009 14.158 14.158 189 1HD ARG 27 HD2 ARG 27 -15.279 15.648 15.648 190 2HD ARG 27 HD1 ARG 27 -14.985 14.519 14.519 191 HE ARG 27 HE ARG 27 -12.509 15.163 15.163 192 1HH1 ARG 27 HH11 ARG 27 -15.153 16.815 16.815 193 2HH1 ARG 27 HH12 ARG 27 -14.148 18.035 18.035 194 1HH2 ARG 27 HH21 ARG 27 -11.174 16.764 16.764 195 2HH2 ARG 27 HH22 ARG 27 -11.884 18.006 18.006 196 H ARG 28 HN ARG 28 -18.118 11.908 11.908 197 HA ARG 28 HA ARG 28 -20.090 12.401 12.401 198 1HB ARG 28 HB1 ARG 28 -20.151 11.704 11.704 199 2HB ARG 28 HB2 ARG 28 -21.640 11.663 11.663 200 1HG ARG 28 HG2 ARG 28 -21.854 13.834 13.834 201 2HG ARG 28 HG1 ARG 28 -20.424 14.099 14.099 202 1HD ARG 28 HD1 ARG 28 -19.118 13.551 13.551 203 2HD ARG 28 HD2 ARG 28 -20.644 13.917 13.917 204 HE ARG 28 HE ARG 28 -20.298 16.069 16.069 205 1HH1 ARG 28 HH11 ARG 28 -18.173 14.422 14.422 206 2HH1 ARG 28 HH12 ARG 28 -17.292 15.852 15.852 207 1HH2 ARG 28 HH21 ARG 28 -19.144 17.959 17.959 208 2HH2 ARG 28 HH22 ARG 28 -17.842 17.863 17.863 209 H LEU 29 HN LEU 29 -18.626 9.538 9.538 210 HA LEU 29 HA LEU 29 -20.601 7.635 7.635 211 1HB LEU 29 HB2 LEU 29 -17.689 7.663 7.663 212 2HB LEU 29 HB1 LEU 29 -18.290 6.373 6.373 213 HG LEU 29 HG LEU 29 -19.356 6.812 6.812 214 1HD1 LEU 29 HD12 LEU 29 -16.765 5.726 5.726 215 2HD1 LEU 29 HD11 LEU 29 -17.697 4.673 4.673 216 3HD1 LEU 29 HD13 LEU 29 -17.301 6.313 6.313 217 1HD2 LEU 29 HD23 LEU 29 -19.965 5.049 5.049 218 2HD2 LEU 29 HD22 LEU 29 -20.695 5.133 5.133 219 3HD2 LEU 29 HD21 LEU 29 -19.287 4.106 4.106 220 H LEU 30 HN LEU 30 -17.973 8.302 8.302 221 HA LEU 30 HA LEU 30 -19.366 7.035 7.035 222 1HB LEU 30 HB1 LEU 30 -16.963 8.861 8.861 223 2HB LEU 30 HB2 LEU 30 -17.530 7.892 7.892 224 HG LEU 30 HG LEU 30 -16.768 6.591 6.591 225 1HD1 LEU 30 HD12 LEU 30 -14.928 8.116 8.116 226 2HD1 LEU 30 HD11 LEU 30 -14.837 7.057 7.057 227 3HD1 LEU 30 HD13 LEU 30 -14.512 6.414 6.414 228 1HD2 LEU 30 HD21 LEU 30 -17.491 5.764 5.764 229 2HD2 LEU 30 HD23 LEU 30 -17.516 4.856 4.856 230 3HD2 LEU 30 HD22 LEU 30 -16.016 5.002 5.002 231 H HIS 31 HN HIS 31 -18.823 10.395 10.395 232 HA HIS 31 HA HIS 31 -19.965 11.581 11.581 233 1HB HIS 31 HB2 HIS 31 -19.365 12.525 12.525 234 2HB HIS 31 HB1 HIS 31 -20.318 13.542 13.542 235 HD2 HIS 31 HD2 HIS 31 -16.925 13.623 13.623 236 HE1 HIS 31 HE1 HIS 31 -16.601 14.129 14.129 237 HE2 HIS 31 HE2 HIS 31 -15.356 14.204 14.204 238 H ARG 32 HN ARG 32 -21.379 10.002 10.002 239 HA ARG 32 HA ARG 32 -24.036 10.851 10.851 240 1HB ARG 32 HB2 ARG 32 -23.556 10.333 10.333 241 2HB ARG 32 HB1 ARG 32 -24.838 11.260 11.260 242 1HG ARG 32 HG2 ARG 32 -22.743 12.752 12.752 243 2HG ARG 32 HG1 ARG 32 -22.110 12.074 12.074 244 1HD ARG 32 HD2 ARG 32 -23.276 13.581 13.581 245 2HD ARG 32 HD1 ARG 32 -24.761 12.849 12.849 246 HE ARG 32 HE ARG 32 -23.806 14.553 14.553 247 1HH1 ARG 32 HH11 ARG 32 -25.013 14.760 14.760 248 2HH1 ARG 32 HH12 ARG 32 -25.662 16.353 16.353 249 1HH2 ARG 32 HH21 ARG 32 -24.657 16.651 16.651 250 2HH2 ARG 32 HH22 ARG 32 -25.461 17.428 17.428 251 H GLU 33 HN GLU 33 -22.692 8.613 8.613 252 HA GLU 33 HA GLU 33 -24.637 6.638 6.638 253 1HB GLU 33 HB2 GLU 33 -22.959 6.876 6.876 254 2HB GLU 33 HB1 GLU 33 -21.777 6.130 6.130 255 1HG GLU 33 HG1 GLU 33 -23.110 4.702 4.702 256 2HG GLU 33 HG2 GLU 33 -22.758 4.071 4.071 257 H LEU 34 HN LEU 34 -22.126 7.529 7.529 258 HA LEU 34 HA LEU 34 -21.166 6.576 6.576 259 1HB LEU 34 HB1 LEU 34 -24.046 5.973 5.973 260 2HB LEU 34 HB2 LEU 34 -23.067 4.976 4.976 261 HG LEU 34 HG LEU 34 -23.242 7.991 7.991 262 1HD1 LEU 34 HD13 LEU 34 -24.975 6.170 6.170 263 2HD1 LEU 34 HD12 LEU 34 -23.871 6.472 6.472 264 3HD1 LEU 34 HD11 LEU 34 -24.730 7.815 7.815 265 1HD2 LEU 34 HD21 LEU 34 -21.447 6.072 6.072 266 2HD2 LEU 34 HD23 LEU 34 -21.041 7.581 7.581 267 3HD2 LEU 34 HD22 LEU 34 -21.892 7.617 7.617 268 H VAL 35 HN VAL 35 -20.984 5.071 5.071 269 HA VAL 35 HA VAL 35 -21.270 2.372 2.372 270 HB VAL 35 HB VAL 35 -20.284 3.577 3.577 271 1HG1 VAL 35 HG12 VAL 35 -18.707 4.933 4.933 272 2HG1 VAL 35 HG11 VAL 35 -17.682 3.501 3.501 273 3HG1 VAL 35 HG13 VAL 35 -18.010 4.253 4.253 274 1HG2 VAL 35 HG23 VAL 35 -19.977 1.024 1.024 275 2HG2 VAL 35 HG22 VAL 35 -19.211 1.730 1.730 276 3HG2 VAL 35 HG21 VAL 35 -18.278 1.490 1.490 277 H HIS 36 HN HIS 36 -20.053 0.611 0.611 278 HA HIS 36 HA HIS 36 -18.656 1.108 1.108 279 1HB HIS 36 HB1 HIS 36 -20.200 -1.006 -1.006 280 2HB HIS 36 HB2 HIS 36 -18.581 -1.652 -1.652 281 HD2 HIS 36 HD2 HIS 36 -20.833 0.652 0.652 282 HE1 HIS 36 HE1 HIS 36 -19.273 -2.596 -2.596 283 HE2 HIS 36 HE2 HIS 36 -20.546 -0.407 -0.407 284 HA PRO 37 HA PRO 37 -14.580 0.901 0.901 285 1HB PRO 37 HB1 PRO 37 -13.206 0.209 0.209 286 2HB PRO 37 HB2 PRO 37 -13.895 1.820 1.820 287 1HG PRO 37 HG1 PRO 37 -14.964 -0.491 -0.491 288 2HG PRO 37 HG2 PRO 37 -14.910 1.228 1.228 289 1HD PRO 37 HD2 PRO 37 -17.150 0.011 0.011 290 2HD PRO 37 HD1 PRO 37 -16.790 1.724 1.724 291 H ASP 38 HN ASP 38 -16.021 -1.830 -1.830 292 HA ASP 38 HA ASP 38 -13.932 -3.659 -3.659 293 1HB ASP 38 HB1 ASP 38 -15.691 -5.359 -5.359 294 2HB ASP 38 HB2 ASP 38 -14.772 -4.339 -4.339 295 H ALA 39 HN ALA 39 -16.300 -2.164 -2.164 296 HA ALA 39 HA ALA 39 -17.878 -3.922 -3.922 297 1HB ALA 39 HB3 ALA 39 -17.036 -1.308 -1.308 298 2HB ALA 39 HB2 ALA 39 -16.626 -2.153 -2.153 299 3HB ALA 39 HB1 ALA 39 -18.285 -2.175 -2.175 300 H LEU 40 HN LEU 40 -17.586 -5.705 -5.705 301 HA LEU 40 HA LEU 40 -14.966 -6.134 -6.134 302 1HB LEU 40 HB2 LEU 40 -16.752 -8.126 -8.126 303 2HB LEU 40 HB1 LEU 40 -15.400 -8.587 -8.587 304 HG LEU 40 HG LEU 40 -14.561 -6.684 -6.684 305 1HD1 LEU 40 HD13 LEU 40 -16.432 -7.621 -7.621 306 2HD1 LEU 40 HD12 LEU 40 -15.792 -9.243 -9.243 307 3HD1 LEU 40 HD11 LEU 40 -14.873 -8.077 -8.077 308 1HD2 LEU 40 HD21 LEU 40 -13.103 -8.178 -8.178 309 2HD2 LEU 40 HD23 LEU 40 -12.883 -8.367 -8.367 310 3HD2 LEU 40 HD22 LEU 40 -13.809 -9.563 -9.563 311 H ASN 41 HN ASN 41 -14.981 -6.568 -6.568 312 HA ASN 41 HA ASN 41 -17.367 -6.401 -6.401 313 1HB ASN 41 HB2 ASN 41 -15.827 -7.152 -7.152 314 2HB ASN 41 HB1 ASN 41 -15.410 -5.652 -5.652 315 1HD2 ASN 41 HD22 ASN 41 -12.500 -8.057 -8.057 316 2HD2 ASN 41 HD21 ASN 41 -13.791 -7.624 -7.624 317 H ARG 42 HN ARG 42 -17.568 -8.190 -8.190 318 HA ARG 42 HA ARG 42 -18.864 -10.357 -10.357 319 1HB ARG 42 HB2 ARG 42 -19.233 -9.938 -9.938 320 2HB ARG 42 HB1 ARG 42 -17.515 -9.942 -9.942 321 1HG ARG 42 HG1 ARG 42 -18.600 -11.924 -11.924 322 2HG ARG 42 HG2 ARG 42 -17.433 -12.352 -12.352 323 1HD ARG 42 HD1 ARG 42 -19.020 -13.125 -13.125 324 2HD ARG 42 HD2 ARG 42 -20.176 -11.873 -11.873 325 HE ARG 42 HE ARG 42 -19.980 -13.563 -13.563 326 1HH1 ARG 42 HH11 ARG 42 -20.915 -13.810 -13.810 327 2HH1 ARG 42 HH12 ARG 42 -22.041 -15.096 -15.096 328 1HH2 ARG 42 HH21 ARG 42 -21.460 -15.255 -15.255 329 2HH2 ARG 42 HH22 ARG 42 -22.351 -15.920 -15.920 330 H PHE 43 HN PHE 43 -15.459 -10.156 -10.156 331 HA PHE 43 HA PHE 43 -14.827 -12.861 -12.861 332 1HB PHE 43 HB1 PHE 43 -13.452 -11.251 -11.251 333 2HB PHE 43 HB2 PHE 43 -12.935 -10.510 -10.510 334 HD1 PHE 43 HD1 PHE 43 -13.411 -13.970 -13.970 335 HD2 PHE 43 HD2 PHE 43 -10.665 -11.123 -11.123 336 HE1 PHE 43 HE1 PHE 43 -11.593 -15.624 -15.624 337 HE2 PHE 43 HE2 PHE 43 -8.841 -12.771 -12.771 338 HZ PHE 43 HZ PHE 43 -9.305 -15.025 -15.025 339 H GLY 44 HN GLY 44 -13.847 -9.993 -9.993 340 1HA GLY 44 HA2 GLY 44 -14.680 -10.273 -10.273 341 2HA GLY 44 HA1 GLY 44 -13.680 -11.716 -11.716 342 H LYS 45 HN LYS 45 -13.145 -8.432 -8.432 343 HA LYS 45 HA LYS 45 -10.685 -8.333 -8.333 344 1HB LYS 45 HB1 LYS 45 -11.137 -6.842 -6.842 345 2HB LYS 45 HB2 LYS 45 -9.620 -7.081 -7.081 346 1HG LYS 45 HG1 LYS 45 -9.403 -9.263 -9.263 347 2HG LYS 45 HG2 LYS 45 -11.131 -9.442 -9.442 348 1HD LYS 45 HD1 LYS 45 -10.564 -9.150 -9.150 349 2HD LYS 45 HD2 LYS 45 -10.469 -7.440 -7.440 350 1HE LYS 45 HE1 LYS 45 -8.109 -7.583 -7.583 351 2HE LYS 45 HE2 LYS 45 -8.140 -9.339 -9.339 352 1HZ LYS 45 HZ2 LYS 45 -9.191 -7.864 -7.864 353 2HZ LYS 45 HZ1 LYS 45 -7.531 -7.682 -7.682 354 3HZ LYS 45 HZ3 LYS 45 -8.186 -9.224 -9.224 355 H THR 46 HN THR 46 -10.076 -6.324 -6.324 356 HA THR 46 HA THR 46 -12.341 -4.675 -4.675 357 HB THR 46 HB THR 46 -10.998 -3.814 -3.814 358 HG1 THR 46 HG1 THR 46 -8.653 -4.203 -4.203 359 1HG2 THR 46 HG21 THR 46 -11.212 -6.492 -6.492 360 2HG2 THR 46 HG23 THR 46 -9.460 -6.310 -6.310 361 3HG2 THR 46 HG22 THR 46 -10.485 -5.636 -5.636 362 H ALA 47 HN ALA 47 -12.156 -2.294 -2.294 363 HA ALA 47 HA ALA 47 -11.800 -1.268 -1.268 364 1HB ALA 47 HB2 ALA 47 -12.752 -0.308 -0.308 365 2HB ALA 47 HB1 ALA 47 -11.365 0.731 0.731 366 3HB ALA 47 HB3 ALA 47 -12.664 0.590 0.590 367 H LEU 48 HN LEU 48 -9.583 -1.092 -1.092 368 HA LEU 48 HA LEU 48 -7.577 0.404 0.404 369 1HB LEU 48 HB1 LEU 48 -7.954 -0.878 -0.878 370 2HB LEU 48 HB2 LEU 48 -6.390 -1.363 -1.363 371 HG LEU 48 HG LEU 48 -5.761 1.010 1.010 372 1HD1 LEU 48 HD21 LEU 48 -8.446 1.507 1.507 373 2HD1 LEU 48 HD23 LEU 48 -7.942 2.008 2.008 374 3HD1 LEU 48 HD22 LEU 48 -7.181 2.719 2.719 375 1HD2 LEU 48 HD12 LEU 48 -6.650 0.014 0.014 376 2HD2 LEU 48 HD11 LEU 48 -5.028 0.023 0.023 377 3HD2 LEU 48 HD13 LEU 48 -5.784 1.537 1.537 378 H GLN 49 HN GLN 49 -8.388 -2.970 -2.970 379 HA GLN 49 HA GLN 49 -5.890 -3.887 -3.887 380 1HB GLN 49 HB2 GLN 49 -7.773 -5.240 -5.240 381 2HB GLN 49 HB1 GLN 49 -8.511 -5.291 -5.291 382 1HG GLN 49 HG1 GLN 49 -6.913 -6.673 -6.673 383 2HG GLN 49 HG2 GLN 49 -5.668 -6.102 -6.102 384 1HE2 GLN 49 HE22 GLN 49 -6.150 -8.626 -8.626 385 2HE2 GLN 49 HE21 GLN 49 -5.233 -7.268 -7.268 386 H VAL 50 HN VAL 50 -8.797 -2.557 -2.557 387 HA VAL 50 HA VAL 50 -7.855 -3.156 -3.156 388 HB VAL 50 HB VAL 50 -10.139 -2.165 -2.165 389 1HG1 VAL 50 HG12 VAL 50 -9.304 -4.719 -4.719 390 2HG1 VAL 50 HG11 VAL 50 -10.785 -4.570 -4.570 391 3HG1 VAL 50 HG13 VAL 50 -10.817 -4.283 -4.283 392 1HG2 VAL 50 HG21 VAL 50 -10.513 -1.129 -1.129 393 2HG2 VAL 50 HG23 VAL 50 -11.846 -2.137 -2.137 394 3HG2 VAL 50 HG22 VAL 50 -10.731 -2.750 -2.750 395 H MET 51 HN MET 51 -8.345 -0.568 -0.568 396 HA MET 51 HA MET 51 -8.603 1.706 1.706 397 1HB MET 51 HB1 MET 51 -7.504 1.024 1.024 398 2HB MET 51 HB2 MET 51 -6.285 2.018 2.018 399 1HG MET 51 HG2 MET 51 -8.641 3.372 3.372 400 2HG MET 51 HG1 MET 51 -8.830 2.766 2.766 401 1HE MET 51 HE3 MET 51 -6.542 2.517 2.517 402 2HE MET 51 HE2 MET 51 -5.084 3.269 3.269 403 3HE MET 51 HE1 MET 51 -5.972 4.051 4.051 404 H MET 52 HN MET 52 -7.413 3.052 3.052 405 HA MET 52 HA MET 52 -5.066 1.815 1.815 406 1HB MET 52 HB1 MET 52 -5.509 3.230 3.230 407 2HB MET 52 HB2 MET 52 -6.991 2.402 2.402 408 1HG MET 52 HG2 MET 52 -7.909 4.356 4.356 409 2HG MET 52 HG1 MET 52 -6.359 5.193 5.193 410 1HE MET 52 HE1 MET 52 -7.108 7.312 7.312 411 2HE MET 52 HE3 MET 52 -5.622 6.716 6.716 412 3HE MET 52 HE2 MET 52 -6.914 7.357 7.357 413 H PHE 53 HN PHE 53 -5.159 3.408 3.408 414 HA PHE 53 HA PHE 53 -4.145 5.231 5.231 415 1HB PHE 53 HB2 PHE 53 -2.023 3.936 3.936 416 2HB PHE 53 HB1 PHE 53 -1.652 5.237 5.237 417 HD1 PHE 53 HD1 PHE 53 -3.757 2.150 2.150 418 HD2 PHE 53 HD2 PHE 53 -0.643 4.471 4.471 419 HE1 PHE 53 HE1 PHE 53 -3.570 0.505 0.505 420 HE2 PHE 53 HE2 PHE 53 -0.449 2.830 2.830 421 HZ PHE 53 HZ PHE 53 -1.912 0.844 0.844 422 H GLY 54 HN GLY 54 -5.579 5.932 5.932 423 1HA GLY 54 HA2 GLY 54 -3.953 7.778 7.778 424 2HA GLY 54 HA1 GLY 54 -5.696 7.593 7.593 425 H SER 55 HN SER 55 -7.003 8.580 8.580 426 HA SER 55 HA SER 55 -6.076 11.245 11.245 427 1HB SER 55 HB1 SER 55 -8.630 9.906 9.906 428 2HB SER 55 HB2 SER 55 -8.305 11.639 11.639 429 HG SER 55 HG SER 55 -7.858 11.022 11.022 430 HA PRO 56 HA PRO 56 -4.119 10.250 10.250 431 1HB PRO 56 HB2 PRO 56 -4.487 13.175 13.175 432 2HB PRO 56 HB1 PRO 56 -3.025 12.196 12.196 433 1HG PRO 56 HG2 PRO 56 -3.395 13.787 13.787 434 2HG PRO 56 HG1 PRO 56 -2.643 12.191 12.191 435 1HD PRO 56 HD1 PRO 56 -5.422 13.069 13.069 436 2HD PRO 56 HD2 PRO 56 -4.358 11.939 11.939 437 H ALA 57 HN ALA 57 -6.790 12.607 12.607 438 HA ALA 57 HA ALA 57 -7.563 12.322 12.322 439 1HB ALA 57 HB1 ALA 57 -8.405 13.819 13.819 440 2HB ALA 57 HB3 ALA 57 -9.825 12.979 12.979 441 3HB ALA 57 HB2 ALA 57 -8.880 14.020 14.020 442 H VAL 58 HN VAL 58 -8.272 10.428 10.428 443 HA VAL 58 HA VAL 58 -10.564 9.099 9.099 444 HB VAL 58 HB VAL 58 -8.501 8.551 8.551 445 1HG1 VAL 58 HG11 VAL 58 -10.538 6.540 6.540 446 2HG1 VAL 58 HG13 VAL 58 -9.665 6.450 6.450 447 3HG1 VAL 58 HG12 VAL 58 -8.784 6.363 6.363 448 1HG2 VAL 58 HG23 VAL 58 -10.465 10.042 10.042 449 2HG2 VAL 58 HG22 VAL 58 -10.363 8.691 8.691 450 3HG2 VAL 58 HG21 VAL 58 -11.506 8.634 8.634 451 H ALA 59 HN ALA 59 -7.116 8.485 8.485 452 HA ALA 59 HA ALA 59 -7.315 5.943 5.943 453 1HB ALA 59 HB1 ALA 59 -5.242 7.984 7.984 454 2HB ALA 59 HB3 ALA 59 -5.055 6.994 6.994 455 3HB ALA 59 HB2 ALA 59 -5.141 6.229 6.229 456 H LEU 60 HN LEU 60 -7.046 9.184 9.184 457 HA LEU 60 HA LEU 60 -7.168 8.360 8.360 458 1HB LEU 60 HB2 LEU 60 -6.365 10.556 10.556 459 2HB LEU 60 HB1 LEU 60 -7.912 10.977 10.977 460 HG LEU 60 HG LEU 60 -8.959 10.905 10.905 461 1HD1 LEU 60 HD21 LEU 60 -6.920 9.280 9.280 462 2HD1 LEU 60 HD23 LEU 60 -6.401 10.807 10.807 463 3HD1 LEU 60 HD22 LEU 60 -7.973 10.126 10.126 464 1HD2 LEU 60 HD12 LEU 60 -6.609 12.668 12.668 465 2HD2 LEU 60 HD11 LEU 60 -8.328 13.060 13.060 466 3HD2 LEU 60 HD13 LEU 60 -7.463 12.785 12.785 467 H GLU 61 HN GLU 61 -9.661 9.045 9.045 468 HA GLU 61 HA GLU 61 -11.852 9.250 9.250 469 1HB GLU 61 HB1 GLU 61 -11.620 8.434 8.434 470 2HB GLU 61 HB2 GLU 61 -13.170 8.469 8.469 471 1HG GLU 61 HG2 GLU 61 -11.516 10.665 10.665 472 2HG GLU 61 HG1 GLU 61 -13.263 10.557 10.557 473 H LEU 62 HN LEU 62 -10.549 6.456 6.456 474 HA LEU 62 HA LEU 62 -12.400 4.576 4.576 475 1HB LEU 62 HB1 LEU 62 -9.785 4.494 4.494 476 2HB LEU 62 HB2 LEU 62 -10.210 3.057 3.057 477 HG LEU 62 HG LEU 62 -12.085 4.250 4.250 478 1HD1 LEU 62 HD11 LEU 62 -9.875 3.754 3.754 479 2HD1 LEU 62 HD13 LEU 62 -10.065 2.077 2.077 480 3HD1 LEU 62 HD12 LEU 62 -11.205 2.784 2.784 481 1HD2 LEU 62 HD22 LEU 62 -12.984 2.644 2.644 482 2HD2 LEU 62 HD21 LEU 62 -13.039 2.030 2.030 483 3HD2 LEU 62 HD23 LEU 62 -11.796 1.457 1.457 484 H LEU 63 HN LEU 63 -9.036 5.186 5.186 485 HA LEU 63 HA LEU 63 -9.103 3.471 3.471 486 1HB LEU 63 HB2 LEU 63 -7.373 5.886 5.886 487 2HB LEU 63 HB1 LEU 63 -7.088 4.712 4.712 488 HG LEU 63 HG LEU 63 -7.320 3.366 3.366 489 1HD1 LEU 63 HD23 LEU 63 -6.017 5.924 5.924 490 2HD1 LEU 63 HD22 LEU 63 -4.860 4.625 4.625 491 3HD1 LEU 63 HD21 LEU 63 -6.310 4.755 4.755 492 1HD2 LEU 63 HD12 LEU 63 -5.925 3.145 3.145 493 2HD2 LEU 63 HD11 LEU 63 -5.781 2.094 2.094 494 3HD2 LEU 63 HD13 LEU 63 -4.681 3.456 3.456 495 H LYS 64 HN LYS 64 -10.230 6.710 6.710 496 HA LYS 64 HA LYS 64 -10.250 7.599 7.599 497 1HB LYS 64 HB1 LYS 64 -10.572 9.229 9.229 498 2HB LYS 64 HB2 LYS 64 -11.899 8.333 8.333 499 1HG LYS 64 HG2 LYS 64 -13.368 9.435 9.435 500 2HG LYS 64 HG1 LYS 64 -12.543 8.951 8.951 501 1HD LYS 64 HD1 LYS 64 -11.099 10.840 10.840 502 2HD LYS 64 HD2 LYS 64 -11.626 11.245 11.245 503 1HE LYS 64 HE1 LYS 64 -13.174 12.575 12.575 504 2HE LYS 64 HE2 LYS 64 -13.947 11.160 11.160 505 1HZ LYS 64 HZ2 LYS 64 -11.734 12.645 12.645 506 2HZ LYS 64 HZ1 LYS 64 -13.369 12.961 12.961 507 3HZ LYS 64 HZ3 LYS 64 -12.713 11.451 11.451 508 H GLN 65 HN GLN 65 -12.389 5.501 5.501 509 HA GLN 65 HA GLN 65 -14.527 5.611 5.611 510 1HB GLN 65 HB1 GLN 65 -14.095 4.490 4.490 511 2HB GLN 65 HB2 GLN 65 -14.675 3.221 3.221 512 1HG GLN 65 HG1 GLN 65 -16.023 5.746 5.746 513 2HG GLN 65 HG2 GLN 65 -16.623 4.088 4.088 514 1HE2 GLN 65 HE22 GLN 65 -17.194 6.448 6.448 515 2HE2 GLN 65 HE21 GLN 65 -16.327 6.973 6.973 516 H GLY 66 HN GLY 66 -12.672 2.752 2.752 517 1HA GLY 66 HA1 GLY 66 -11.437 2.019 2.019 518 2HA GLY 66 HA2 GLY 66 -13.096 1.491 1.491 519 H ALA 67 HN ALA 67 -10.612 1.372 1.372 520 HA ALA 67 HA ALA 67 -11.473 -1.381 -1.381 521 1HB ALA 67 HB1 ALA 67 -10.985 0.805 0.805 522 2HB ALA 67 HB3 ALA 67 -9.672 -0.339 -0.339 523 3HB ALA 67 HB2 ALA 67 -11.347 -0.860 -0.860 524 H SER 68 HN SER 68 -9.883 -2.998 -2.998 525 HA SER 68 HA SER 68 -7.461 -2.584 -2.584 526 1HB SER 68 HB2 SER 68 -9.281 -4.719 -4.719 527 2HB SER 68 HB1 SER 68 -7.787 -5.288 -5.288 528 HG SER 68 HG SER 68 -8.099 -4.215 -4.215 529 HA PRO 69 HA PRO 69 -5.507 -2.110 -2.110 530 1HB PRO 69 HB2 PRO 69 -3.156 -1.176 -1.176 531 2HB PRO 69 HB1 PRO 69 -4.553 -0.154 -0.154 532 1HG PRO 69 HG1 PRO 69 -3.672 -1.338 -1.338 533 2HG PRO 69 HG2 PRO 69 -4.296 0.288 0.288 534 1HD PRO 69 HD1 PRO 69 -5.841 -1.634 -1.634 535 2HD PRO 69 HD2 PRO 69 -6.494 -0.430 -0.430 536 H ASN 70 HN ASN 70 -4.690 -3.975 -3.975 537 HA ASN 70 HA ASN 70 -2.376 -5.243 -5.243 538 1HB ASN 70 HB1 ASN 70 -4.012 -5.743 -5.743 539 2HB ASN 70 HB2 ASN 70 -2.721 -6.835 -6.835 540 1HD2 ASN 70 HD22 ASN 70 -1.829 -3.080 -3.080 541 2HD2 ASN 70 HD21 ASN 70 -3.388 -3.434 -3.434 542 H VAL 71 HN VAL 71 -3.779 -5.669 -5.669 543 HA VAL 71 HA VAL 71 -4.949 -8.360 -8.360 544 HB VAL 71 HB VAL 71 -6.542 -7.840 -7.840 545 1HG1 VAL 71 HG23 VAL 71 -6.487 -6.488 -6.488 546 2HG1 VAL 71 HG22 VAL 71 -7.526 -5.686 -5.686 547 3HG1 VAL 71 HG21 VAL 71 -7.789 -7.384 -7.384 548 1HG2 VAL 71 HG11 VAL 71 -4.824 -5.810 -5.810 549 2HG2 VAL 71 HG13 VAL 71 -6.451 -6.035 -6.035 550 3HG2 VAL 71 HG12 VAL 71 -6.181 -4.946 -4.946 551 H GLN 72 HN GLN 72 -4.329 -9.864 -9.864 552 HA GLN 72 HA GLN 72 -2.673 -8.992 -8.992 553 1HB GLN 72 HB1 GLN 72 -1.880 -11.496 -11.496 554 2HB GLN 72 HB2 GLN 72 -0.890 -10.329 -10.329 555 1HG GLN 72 HG1 GLN 72 -0.662 -8.955 -8.955 556 2HG GLN 72 HG2 GLN 72 -2.135 -9.552 -9.552 557 1HE2 GLN 72 HE22 GLN 72 1.441 -11.306 -11.306 558 2HE2 GLN 72 HE21 GLN 72 1.249 -10.023 -10.023 559 H ASP 73 HN ASP 73 -2.754 -10.307 -10.307 560 HA ASP 73 HA ASP 73 -4.318 -12.744 -12.744 561 1HB ASP 73 HB1 ASP 73 -5.725 -11.777 -11.777 562 2HB ASP 73 HB2 ASP 73 -6.186 -11.392 -11.392 563 H ALA 74 HN ALA 74 -3.884 -14.098 -14.098 564 HA ALA 74 HA ALA 74 -2.426 -15.029 -15.029 565 1HB ALA 74 HB3 ALA 74 -3.466 -12.558 -12.558 566 2HB ALA 74 HB2 ALA 74 -2.446 -13.727 -13.727 567 3HB ALA 74 HB1 ALA 74 -4.006 -14.227 -14.227 568 H SER 75 HN SER 75 -0.393 -15.054 -15.054 569 HA SER 75 HA SER 75 1.845 -14.609 -14.609 570 1HB SER 75 HB1 SER 75 1.399 -13.805 -13.805 571 2HB SER 75 HB2 SER 75 1.339 -12.176 -12.176 572 HG SER 75 HG SER 75 3.500 -13.879 -13.879 573 H GLY 76 HN GLY 76 -0.086 -13.513 -13.513 574 1HA GLY 76 HA1 GLY 76 -0.295 -11.846 -11.846 575 2HA GLY 76 HA2 GLY 76 1.418 -12.192 -12.192 576 H THR 77 HN THR 77 -0.703 -10.356 -10.356 577 HA THR 77 HA THR 77 1.281 -8.180 -8.180 578 HB THR 77 HB THR 77 0.065 -7.507 -7.507 579 HG1 THR 77 HG1 THR 77 -0.850 -9.232 -9.232 580 1HG2 THR 77 HG21 THR 77 2.185 -9.462 -9.462 581 2HG2 THR 77 HG23 THR 77 1.388 -9.599 -9.599 582 3HG2 THR 77 HG22 THR 77 2.125 -8.072 -8.072 583 H SER 78 HN SER 78 0.546 -6.829 -6.829 584 HA SER 78 HA SER 78 -2.292 -6.221 -6.221 585 1HB SER 78 HB1 SER 78 -1.885 -5.483 -5.483 586 2HB SER 78 HB2 SER 78 -0.472 -6.517 -6.517 587 HG SER 78 HG SER 78 0.252 -4.555 -4.555 588 HA PRO 79 HA PRO 79 -2.511 -2.130 -2.130 589 1HB PRO 79 HB1 PRO 79 -2.154 -0.794 -0.794 590 2HB PRO 79 HB2 PRO 79 -3.451 -0.616 -0.616 591 1HG PRO 79 HG1 PRO 79 -3.843 -1.987 -1.987 592 2HG PRO 79 HG2 PRO 79 -4.549 -2.530 -2.530 593 1HD PRO 79 HD2 PRO 79 -2.176 -3.579 -3.579 594 2HD PRO 79 HD1 PRO 79 -3.412 -4.458 -4.458 595 H VAL 80 HN VAL 80 -0.054 -2.204 -2.204 596 HA VAL 80 HA VAL 80 1.520 -0.096 -0.096 597 HB VAL 80 HB VAL 80 3.375 -1.432 -1.432 598 1HG1 VAL 80 HG22 VAL 80 1.079 0.150 0.150 599 2HG1 VAL 80 HG21 VAL 80 1.988 -0.721 -0.721 600 3HG1 VAL 80 HG23 VAL 80 2.810 0.433 0.433 601 1HG2 VAL 80 HG13 VAL 80 1.578 -3.416 -3.416 602 2HG2 VAL 80 HG12 VAL 80 2.791 -3.230 -3.230 603 3HG2 VAL 80 HG11 VAL 80 1.147 -2.649 -2.649 604 H HIS 81 HN HIS 81 1.630 -3.580 -3.580 605 HA HIS 81 HA HIS 81 4.018 -3.679 -3.679 606 1HB HIS 81 HB2 HIS 81 1.518 -5.364 -5.364 607 2HB HIS 81 HB1 HIS 81 3.022 -5.737 -5.737 608 HD2 HIS 81 HD2 HIS 81 5.198 -6.403 -6.403 609 HE1 HIS 81 HE1 HIS 81 2.616 -7.322 -7.322 610 HE2 HIS 81 HE2 HIS 81 4.931 -7.667 -7.667 611 H ASP 82 HN ASP 82 0.691 -3.314 -3.314 612 HA ASP 82 HA ASP 82 1.430 -3.023 -3.023 613 1HB ASP 82 HB2 ASP 82 -0.961 -3.230 -3.230 614 2HB ASP 82 HB1 ASP 82 -1.040 -1.654 -1.654 615 H ALA 83 HN ALA 83 0.515 -0.616 -0.616 616 HA ALA 83 HA ALA 83 0.701 1.677 1.677 617 1HB ALA 83 HB2 ALA 83 0.004 1.341 1.341 618 2HB ALA 83 HB1 ALA 83 1.703 1.667 1.667 619 3HB ALA 83 HB3 ALA 83 0.725 2.873 2.873 620 H ALA 84 HN ALA 84 3.266 -0.286 -0.286 621 HA ALA 84 HA ALA 84 5.344 1.637 1.637 622 1HB ALA 84 HB1 ALA 84 5.437 -0.274 -0.274 623 2HB ALA 84 HB3 ALA 84 5.644 -1.351 -1.351 624 3HB ALA 84 HB2 ALA 84 6.857 -0.120 -0.120 625 H ARG 85 HN ARG 85 4.890 -1.492 -1.492 626 HA ARG 85 HA ARG 85 6.616 -0.899 -0.899 627 1HB ARG 85 HB1 ARG 85 6.152 -3.177 -3.177 628 2HB ARG 85 HB2 ARG 85 4.415 -2.923 -2.923 629 1HG ARG 85 HG1 ARG 85 4.484 -3.557 -3.557 630 2HG ARG 85 HG2 ARG 85 5.465 -2.136 -2.136 631 1HD ARG 85 HD1 ARG 85 7.402 -3.315 -3.315 632 2HD ARG 85 HD2 ARG 85 6.870 -4.450 -4.450 633 HE ARG 85 HE ARG 85 5.323 -5.004 -5.004 634 1HH1 ARG 85 HH11 ARG 85 8.733 -4.918 -4.918 635 2HH1 ARG 85 HH12 ARG 85 9.134 -6.150 -6.150 636 1HH2 ARG 85 HH21 ARG 85 5.841 -6.626 -6.626 637 2HH2 ARG 85 HH22 ARG 85 7.490 -7.120 -7.120 638 H THR 86 HN THR 86 3.217 -0.218 -0.218 639 HA THR 86 HA THR 86 2.572 0.266 0.266 640 HB THR 86 HB THR 86 0.627 1.526 1.526 641 HG1 THR 86 HG1 THR 86 0.407 1.424 1.424 642 1HG2 THR 86 HG23 THR 86 1.268 -1.248 -1.248 643 2HG2 THR 86 HG22 THR 86 -0.015 -0.507 -0.507 644 3HG2 THR 86 HG21 THR 86 -0.147 -0.569 -0.569 645 H GLY 87 HN GLY 87 3.318 2.537 2.537 646 1HA GLY 87 HA1 GLY 87 4.874 4.360 4.360 647 2HA GLY 87 HA2 GLY 87 4.240 4.441 4.441 648 H PHE 88 HN PHE 88 3.086 4.657 4.657 649 HA PHE 88 HA PHE 88 1.651 7.105 7.105 650 1HB PHE 88 HB2 PHE 88 0.420 4.666 4.666 651 2HB PHE 88 HB1 PHE 88 -0.316 6.264 6.264 652 HD1 PHE 88 HD2 PHE 88 -0.445 7.454 7.454 653 HD2 PHE 88 HD1 PHE 88 -0.376 3.252 3.252 654 HE1 PHE 88 HE2 PHE 88 -1.534 7.064 7.064 655 HE2 PHE 88 HE1 PHE 88 -1.462 2.855 2.855 656 HZ PHE 88 HZ PHE 88 -2.042 4.762 4.762 657 H LEU 89 HN LEU 89 3.939 7.272 7.272 658 HA LEU 89 HA LEU 89 4.102 6.903 6.903 659 1HB LEU 89 HB1 LEU 89 5.967 7.645 7.645 660 2HB LEU 89 HB2 LEU 89 5.206 9.213 9.213 661 HG LEU 89 HG LEU 89 5.376 9.382 9.382 662 1HD1 LEU 89 HD22 LEU 89 6.427 6.783 6.783 663 2HD1 LEU 89 HD21 LEU 89 7.742 7.817 7.817 664 3HD1 LEU 89 HD23 LEU 89 6.257 7.691 7.691 665 1HD2 LEU 89 HD11 LEU 89 7.121 10.056 10.056 666 2HD2 LEU 89 HD13 LEU 89 7.013 10.793 10.793 667 3HD2 LEU 89 HD12 LEU 89 8.132 9.459 9.459 668 H ASP 90 HN ASP 90 2.075 9.057 9.057 669 HA ASP 90 HA ASP 90 1.745 11.094 11.094 670 1HB ASP 90 HB2 ASP 90 -0.442 10.154 10.154 671 2HB ASP 90 HB1 ASP 90 -0.135 11.784 11.784 672 H THR 91 HN THR 91 -0.706 8.630 8.630 673 HA THR 91 HA THR 91 -1.936 8.887 8.887 674 HB THR 91 HB THR 91 -2.389 6.646 6.646 675 HG1 THR 91 HG1 THR 91 -3.984 8.051 8.051 676 1HG2 THR 91 HG21 THR 91 -3.775 7.607 7.607 677 2HG2 THR 91 HG23 THR 91 -4.815 7.449 7.449 678 3HG2 THR 91 HG22 THR 91 -3.892 6.061 6.061 679 H LEU 92 HN LEU 92 0.548 6.915 6.915 680 HA LEU 92 HA LEU 92 0.455 4.656 4.656 681 1HB LEU 92 HB1 LEU 92 1.940 4.875 4.875 682 2HB LEU 92 HB2 LEU 92 2.866 6.105 6.105 683 HG LEU 92 HG LEU 92 2.614 3.396 3.396 684 1HD1 LEU 92 HD13 LEU 92 3.614 3.793 3.793 685 2HD1 LEU 92 HD12 LEU 92 4.999 3.537 3.537 686 3HD1 LEU 92 HD11 LEU 92 3.704 2.341 2.341 687 1HD2 LEU 92 HD21 LEU 92 3.903 5.739 5.739 688 2HD2 LEU 92 HD23 LEU 92 4.228 4.140 4.140 689 3HD2 LEU 92 HD22 LEU 92 5.185 4.743 4.743 690 H LYS 93 HN LYS 93 2.477 7.551 7.551 691 HA LYS 93 HA LYS 93 3.368 6.850 6.850 692 1HB LYS 93 HB1 LYS 93 4.283 8.972 8.972 693 2HB LYS 93 HB2 LYS 93 4.141 8.746 8.746 694 1HG LYS 93 HG2 LYS 93 1.764 9.892 9.892 695 2HG LYS 93 HG1 LYS 93 2.748 10.619 10.619 696 1HD LYS 93 HD1 LYS 93 3.440 10.601 10.601 697 2HD LYS 93 HD2 LYS 93 2.725 11.963 11.963 698 1HE LYS 93 HE1 LYS 93 4.692 11.997 11.997 699 2HE LYS 93 HE2 LYS 93 5.412 10.705 10.705 700 1HZ LYS 93 HZ3 LYS 93 4.891 12.454 12.454 701 2HZ LYS 93 HZ2 LYS 93 5.107 13.532 13.532 702 3HZ LYS 93 HZ1 LYS 93 6.345 12.458 12.458 703 H VAL 94 HN VAL 94 0.451 8.584 8.584 704 HA VAL 94 HA VAL 94 -0.354 9.559 9.559 705 HB VAL 94 HB VAL 94 -1.550 9.239 9.239 706 1HG1 VAL 94 HG12 VAL 94 -3.229 8.049 8.049 707 2HG1 VAL 94 HG11 VAL 94 -3.940 8.798 8.798 708 3HG1 VAL 94 HG13 VAL 94 -2.883 7.398 7.398 709 1HG2 VAL 94 HG23 VAL 94 -1.394 11.138 11.138 710 2HG2 VAL 94 HG22 VAL 94 -2.539 11.194 11.194 711 3HG2 VAL 94 HG21 VAL 94 -3.063 10.621 10.621 712 H LEU 95 HN LEU 95 -1.390 6.442 6.442 713 HA LEU 95 HA LEU 95 -2.379 5.529 5.529 714 1HB LEU 95 HB1 LEU 95 -2.660 3.345 3.345 715 2HB LEU 95 HB2 LEU 95 -3.498 4.708 4.708 716 HG LEU 95 HG LEU 95 -1.078 4.701 4.701 717 1HD1 LEU 95 HD12 LEU 95 -1.244 2.203 2.203 718 2HD1 LEU 95 HD11 LEU 95 -1.785 1.938 1.938 719 3HD1 LEU 95 HD13 LEU 95 -0.207 2.662 2.662 720 1HD2 LEU 95 HD23 LEU 95 -3.681 4.739 4.739 721 2HD2 LEU 95 HD22 LEU 95 -2.391 4.505 4.505 722 3HD2 LEU 95 HD21 LEU 95 -3.264 3.112 3.112 723 H VAL 96 HN VAL 96 0.483 4.837 4.837 724 HA VAL 96 HA VAL 96 1.578 2.770 2.770 725 HB VAL 96 HB VAL 96 2.839 4.984 4.984 726 1HG1 VAL 96 HG12 VAL 96 4.178 3.143 3.143 727 2HG1 VAL 96 HG11 VAL 96 4.900 3.272 3.272 728 3HG1 VAL 96 HG13 VAL 96 4.692 4.715 4.715 729 1HG2 VAL 96 HG21 VAL 96 1.982 2.220 2.220 730 2HG2 VAL 96 HG23 VAL 96 2.193 3.535 3.535 731 3HG2 VAL 96 HG22 VAL 96 3.585 2.584 2.584 732 H GLU 97 HN GLU 97 1.806 6.257 6.257 733 HA GLU 97 HA GLU 97 3.531 6.052 6.052 734 1HB GLU 97 HB2 GLU 97 1.742 8.302 8.302 735 2HB GLU 97 HB1 GLU 97 3.015 8.440 8.440 736 1HG GLU 97 HG2 GLU 97 3.611 7.436 7.436 737 2HG GLU 97 HG1 GLU 97 3.476 9.167 9.167 738 H HIS 98 HN HIS 98 0.044 6.367 6.367 739 HA HIS 98 HA HIS 98 -0.722 6.869 6.869 740 1HB HIS 98 HB2 HIS 98 -2.032 6.439 6.439 741 2HB HIS 98 HB1 HIS 98 -2.532 5.056 5.056 742 HD2 HIS 98 HD2 HIS 98 -2.753 6.694 6.694 743 HE1 HIS 98 HE1 HIS 98 -5.622 8.946 8.946 744 HE2 HIS 98 HE2 HIS 98 -4.637 8.472 8.472 745 H GLY 99 HN GLY 99 -0.434 3.708 3.708 746 1HA GLY 99 HA1 GLY 99 0.634 2.389 2.389 747 2HA GLY 99 HA2 GLY 99 -1.106 2.163 2.163 748 H ALA 100 HN ALA 100 -1.176 2.210 2.210 749 HA ALA 100 HA ALA 100 -1.557 -0.228 -0.228 750 1HB ALA 100 HB3 ALA 100 -1.185 1.930 1.930 751 2HB ALA 100 HB2 ALA 100 0.409 1.237 1.237 752 3HB ALA 100 HB1 ALA 100 -1.038 0.344 0.344 753 H ASP 101 HN ASP 101 -0.669 -2.166 -2.166 754 HA ASP 101 HA ASP 101 1.808 -2.688 -2.688 755 1HB ASP 101 HB1 ASP 101 -0.201 -4.260 -4.260 756 2HB ASP 101 HB2 ASP 101 0.464 -4.590 -4.590 757 H VAL 102 HN VAL 102 3.350 -1.380 -1.380 758 HA VAL 102 HA VAL 102 4.000 -2.101 -2.101 759 HB VAL 102 HB VAL 102 3.851 0.293 0.293 760 1HG1 VAL 102 HG21 VAL 102 4.547 0.140 0.140 761 2HG1 VAL 102 HG23 VAL 102 6.200 -0.172 -0.172 762 3HG1 VAL 102 HG22 VAL 102 5.436 1.376 1.376 763 1HG2 VAL 102 HG12 VAL 102 5.619 -0.845 -0.845 764 2HG2 VAL 102 HG11 VAL 102 5.633 0.895 0.895 765 3HG2 VAL 102 HG13 VAL 102 6.760 -0.151 -0.151 766 H ASN 103 HN ASN 103 4.524 -3.868 -3.868 767 HA ASN 103 HA ASN 103 7.458 -4.036 -4.036 768 1HB ASN 103 HB2 ASN 103 6.134 -5.342 -5.342 769 2HB ASN 103 HB1 ASN 103 7.689 -4.520 -4.520 770 1HD2 ASN 103 HD22 ASN 103 6.504 -1.454 -1.454 771 2HD2 ASN 103 HD21 ASN 103 7.829 -2.396 -2.396 772 H ALA 104 HN ALA 104 4.402 -5.751 -5.751 773 HA ALA 104 HA ALA 104 5.165 -8.381 -8.381 774 1HB ALA 104 HB1 ALA 104 2.837 -7.008 -7.008 775 2HB ALA 104 HB3 ALA 104 3.164 -7.898 -7.898 776 3HB ALA 104 HB2 ALA 104 3.030 -8.761 -8.761 777 H LEU 105 HN LEU 105 4.761 -9.770 -9.770 778 HA LEU 105 HA LEU 105 6.414 -8.663 -8.663 779 1HB LEU 105 HB1 LEU 105 6.908 -11.436 -11.436 780 2HB LEU 105 HB2 LEU 105 7.892 -10.505 -10.505 781 HG LEU 105 HG LEU 105 7.498 -9.659 -9.659 782 1HD1 LEU 105 HD11 LEU 105 8.606 -12.046 -12.046 783 2HD1 LEU 105 HD13 LEU 105 10.015 -10.990 -10.990 784 3HD1 LEU 105 HD12 LEU 105 9.078 -11.060 -11.060 785 1HD2 LEU 105 HD22 LEU 105 9.343 -8.918 -8.918 786 2HD2 LEU 105 HD21 LEU 105 8.376 -7.877 -7.877 787 3HD2 LEU 105 HD23 LEU 105 9.817 -8.669 -8.669 788 H ASP 106 HN ASP 106 6.509 -10.392 -10.392 789 HA ASP 106 HA ASP 106 3.757 -11.278 -11.278 790 1HB ASP 106 HB1 ASP 106 4.403 -11.282 -11.282 791 2HB ASP 106 HB2 ASP 106 4.441 -9.697 -9.697 792 H SER 107 HN SER 107 4.687 -13.093 -13.093 793 HA SER 107 HA SER 107 5.071 -15.329 -15.329 794 1HB SER 107 HB2 SER 107 4.085 -15.011 -15.011 795 2HB SER 107 HB1 SER 107 5.445 -16.131 -16.131 796 HG SER 107 HG SER 107 4.326 -17.575 -17.575 797 H THR 108 HN THR 108 6.854 -14.723 -14.723 798 HA THR 108 HA THR 108 9.089 -16.149 -16.149 799 HB THR 108 HB THR 108 10.218 -14.786 -14.786 800 HG1 THR 108 HG1 THR 108 8.569 -12.572 -12.572 801 1HG2 THR 108 HG23 THR 108 7.866 -15.567 -15.567 802 2HG2 THR 108 HG22 THR 108 7.464 -13.851 -13.851 803 3HG2 THR 108 HG21 THR 108 8.751 -14.402 -14.402 804 H GLY 109 HN GLY 109 8.585 -12.856 -12.856 805 1HA GLY 109 HA2 GLY 109 9.330 -12.558 -12.558 806 2HA GLY 109 HA1 GLY 109 10.823 -13.343 -13.343 807 H SER 110 HN SER 110 9.370 -11.204 -11.204 808 HA SER 110 HA SER 110 11.588 -9.342 -9.342 809 1HB SER 110 HB1 SER 110 10.517 -10.390 -10.390 810 2HB SER 110 HB2 SER 110 9.622 -8.873 -8.873 811 HG SER 110 HG SER 110 11.719 -8.860 -8.860 812 H LEU 111 HN LEU 111 11.336 -7.576 -7.576 813 HA LEU 111 HA LEU 111 8.841 -6.720 -6.720 814 1HB LEU 111 HB1 LEU 111 11.484 -5.267 -5.267 815 2HB LEU 111 HB2 LEU 111 10.098 -4.739 -4.739 816 HG LEU 111 HG LEU 111 11.087 -7.484 -7.484 817 1HD1 LEU 111 HD13 LEU 111 12.870 -5.271 -5.271 818 2HD1 LEU 111 HD12 LEU 111 12.565 -5.739 -5.739 819 3HD1 LEU 111 HD11 LEU 111 13.169 -6.929 -6.929 820 1HD2 LEU 111 HD23 LEU 111 9.187 -5.993 -5.993 821 2HD2 LEU 111 HD22 LEU 111 10.128 -7.171 -7.171 822 3HD2 LEU 111 HD21 LEU 111 10.556 -5.461 -5.461 823 HA PRO 112 HA PRO 112 6.953 -4.314 -4.314 824 1HB PRO 112 HB1 PRO 112 6.765 -2.244 -2.244 825 2HB PRO 112 HB2 PRO 112 5.518 -2.828 -2.828 826 1HG PRO 112 HG2 PRO 112 5.590 -3.658 -3.658 827 2HG PRO 112 HG1 PRO 112 5.158 -4.768 -4.768 828 1HD PRO 112 HD1 PRO 112 7.663 -4.599 -4.599 829 2HD PRO 112 HD2 PRO 112 6.906 -6.005 -6.005 830 H ILE 113 HN ILE 113 9.532 -3.020 -3.020 831 HA ILE 113 HA ILE 113 10.043 -0.712 -0.712 832 HB ILE 113 HB ILE 113 10.794 -0.747 -0.747 833 1HG1 ILE 113 HG11 ILE 113 12.787 -0.514 -0.514 834 2HG1 ILE 113 HG12 ILE 113 12.190 0.714 0.714 835 1HG2 ILE 113 HG21 ILE 113 11.352 -3.356 -3.356 836 2HG2 ILE 113 HG23 ILE 113 12.976 -2.676 -2.676 837 3HG2 ILE 113 HG22 ILE 113 11.977 -2.397 -2.397 838 1HD1 ILE 113 HD13 ILE 113 13.543 -0.568 -0.568 839 2HD1 ILE 113 HD12 ILE 113 14.369 -1.283 -1.283 840 3HD1 ILE 113 HD11 ILE 113 14.392 0.465 0.465 841 H HIS 114 HN HIS 114 11.355 -3.991 -3.991 842 HA HIS 114 HA HIS 114 13.520 -3.717 -3.717 843 1HB HIS 114 HB2 HIS 114 11.623 -6.021 -6.021 844 2HB HIS 114 HB1 HIS 114 13.031 -6.151 -6.151 845 HD2 HIS 114 HD2 HIS 114 14.219 -4.057 -4.057 846 HE1 HIS 114 HE1 HIS 114 14.786 -8.046 -8.046 847 HE2 HIS 114 HE2 HIS 114 15.490 -5.632 -5.632 848 H LEU 115 HN LEU 115 10.127 -4.345 -4.345 849 HA LEU 115 HA LEU 115 10.467 -4.597 -4.597 850 1HB LEU 115 HB2 LEU 115 8.019 -3.251 -3.251 851 2HB LEU 115 HB1 LEU 115 8.182 -4.553 -4.553 852 HG LEU 115 HG LEU 115 8.222 -4.728 -4.728 853 1HD1 LEU 115 HD11 LEU 115 6.409 -5.528 -5.528 854 2HD1 LEU 115 HD13 LEU 115 6.583 -6.662 -6.662 855 3HD1 LEU 115 HD12 LEU 115 6.046 -5.011 -5.011 856 1HD2 LEU 115 HD22 LEU 115 9.892 -6.193 -6.193 857 2HD2 LEU 115 HD21 LEU 115 9.444 -6.584 -6.584 858 3HD2 LEU 115 HD23 LEU 115 8.526 -7.261 -7.261 859 H ALA 116 HN ALA 116 9.858 -1.730 -1.730 860 HA ALA 116 HA ALA 116 9.617 0.128 0.128 861 1HB ALA 116 HB2 ALA 116 10.513 0.422 0.422 862 2HB ALA 116 HB1 ALA 116 10.359 1.795 1.795 863 3HB ALA 116 HB3 ALA 116 8.944 0.819 0.819 864 H ILE 117 HN ILE 117 12.418 -1.229 -1.229 865 HA ILE 117 HA ILE 117 14.361 0.536 0.536 866 HB ILE 117 HB ILE 117 14.626 -2.338 -2.338 867 1HG1 ILE 117 HG11 ILE 117 15.390 0.224 0.224 868 2HG1 ILE 117 HG12 ILE 117 13.892 -0.656 -0.656 869 1HG2 ILE 117 HG22 ILE 117 16.410 -1.551 -1.551 870 2HG2 ILE 117 HG21 ILE 117 16.855 -0.353 -0.353 871 3HG2 ILE 117 HG23 ILE 117 16.983 -2.072 -2.072 872 1HD1 ILE 117 HD13 ILE 117 15.378 -2.650 -2.650 873 2HD1 ILE 117 HD12 ILE 117 16.699 -1.482 -1.482 874 3HD1 ILE 117 HD11 ILE 117 15.319 -1.320 -1.320 875 H ARG 118 HN ARG 118 13.087 -2.564 -2.564 876 HA ARG 118 HA ARG 118 14.793 -2.658 -2.658 877 1HB ARG 118 HB1 ARG 118 13.163 -4.457 -4.457 878 2HB ARG 118 HB2 ARG 118 13.995 -4.746 -4.746 879 1HG ARG 118 HG1 ARG 118 12.029 -4.070 -4.070 880 2HG ARG 118 HG2 ARG 118 11.191 -3.679 -3.679 881 1HD ARG 118 HD2 ARG 118 11.806 -6.181 -6.181 882 2HD ARG 118 HD1 ARG 118 11.852 -6.327 -6.327 883 HE ARG 118 HE ARG 118 9.488 -5.068 -5.068 884 1HH1 ARG 118 HH11 ARG 118 10.972 -8.047 -8.047 885 2HH1 ARG 118 HH12 ARG 118 9.467 -8.878 -8.878 886 1HH2 ARG 118 HH21 ARG 118 7.499 -6.152 -6.152 887 2HH2 ARG 118 HH22 ARG 118 7.491 -7.801 -7.801 888 H GLU 119 HN GLU 119 12.111 -0.806 -0.806 889 HA GLU 119 HA GLU 119 11.083 -0.620 -0.620 890 1HB GLU 119 HB2 GLU 119 10.025 -0.155 -0.155 891 2HB GLU 119 HB1 GLU 119 10.077 1.415 1.415 892 1HG GLU 119 HG1 GLU 119 9.012 -0.801 -0.801 893 2HG GLU 119 HG2 GLU 119 8.038 -0.318 -0.318 894 H GLY 120 HN GLY 120 12.352 1.726 1.726 895 1HA GLY 120 HA1 GLY 120 14.131 3.243 3.243 896 2HA GLY 120 HA2 GLY 120 13.676 3.119 3.119 897 H HIS 121 HN HIS 121 11.228 3.503 3.503 898 HA HIS 121 HA HIS 121 10.155 5.806 5.806 899 1HB HIS 121 HB2 HIS 121 9.620 4.244 4.244 900 2HB HIS 121 HB1 HIS 121 9.013 5.897 5.897 901 HD2 HIS 121 HD2 HIS 121 7.607 2.635 2.635 902 HE1 HIS 121 HE1 HIS 121 5.955 5.056 5.056 903 HE2 HIS 121 HE2 HIS 121 5.886 2.782 2.782 904 H SER 122 HN SER 122 12.815 5.447 5.447 905 HA SER 122 HA SER 122 14.264 6.960 6.960 906 1HB SER 122 HB1 SER 122 13.729 8.326 8.326 907 2HB SER 122 HB2 SER 122 12.423 9.089 9.089 908 HG SER 122 HG SER 122 13.883 10.054 10.054 909 H SER 123 HN SER 123 11.119 8.612 8.612 910 HA SER 123 HA SER 123 11.606 9.317 9.317 911 1HB SER 123 HB2 SER 123 8.794 9.343 9.343 912 2HB SER 123 HB1 SER 123 9.847 10.684 10.684 913 HG SER 123 HG SER 123 9.047 10.793 10.793 914 H VAL 124 HN VAL 124 9.341 7.010 7.010 915 HA VAL 124 HA VAL 124 8.217 5.962 5.962 916 HB VAL 124 HB VAL 124 8.774 4.713 4.713 917 1HG1 VAL 124 HG12 VAL 124 7.709 3.420 3.420 918 2HG1 VAL 124 HG11 VAL 124 7.032 2.972 2.972 919 3HG1 VAL 124 HG13 VAL 124 8.756 2.763 2.763 920 1HG2 VAL 124 HG22 VAL 124 7.041 6.527 6.527 921 2HG2 VAL 124 HG21 VAL 124 6.469 5.030 5.030 922 3HG2 VAL 124 HG23 VAL 124 6.140 5.360 5.360 923 H VAL 125 HN VAL 125 11.014 4.640 4.640 924 HA VAL 125 HA VAL 125 11.666 2.568 2.568 925 HB VAL 125 HB VAL 125 13.810 4.244 4.244 926 1HG1 VAL 125 HG13 VAL 125 14.466 2.299 2.299 927 2HG1 VAL 125 HG12 VAL 125 13.474 1.263 1.263 928 3HG1 VAL 125 HG11 VAL 125 14.878 2.091 2.091 929 1HG2 VAL 125 HG23 VAL 125 11.590 2.843 2.843 930 2HG2 VAL 125 HG22 VAL 125 12.613 4.158 4.158 931 3HG2 VAL 125 HG21 VAL 125 13.198 2.495 2.495 932 H SER 126 HN SER 126 13.222 5.784 5.784 933 HA SER 126 HA SER 126 14.630 5.430 5.430 934 1HB SER 126 HB2 SER 126 14.552 8.008 8.008 935 2HB SER 126 HB1 SER 126 15.313 7.249 7.249 936 HG SER 126 HG SER 126 13.853 8.913 8.913 937 H PHE 127 HN PHE 127 11.331 6.336 6.336 938 HA PHE 127 HA PHE 127 10.811 7.301 7.301 939 1HB PHE 127 HB1 PHE 127 9.385 8.050 8.050 940 2HB PHE 127 HB2 PHE 127 8.971 6.394 6.394 941 HD1 PHE 127 HD2 PHE 127 7.542 5.043 5.043 942 HD2 PHE 127 HD1 PHE 127 8.246 9.196 9.196 943 HE1 PHE 127 HE2 PHE 127 5.596 5.129 5.129 944 HE2 PHE 127 HE1 PHE 127 6.302 9.291 9.291 945 HZ PHE 127 HZ PHE 127 4.976 7.255 7.255 946 H LEU 128 HN LEU 128 9.882 4.304 4.304 947 HA LEU 128 HA LEU 128 8.784 3.041 3.041 948 1HB LEU 128 HB2 LEU 128 9.268 2.406 2.406 949 2HB LEU 128 HB1 LEU 128 9.804 1.064 1.064 950 HG LEU 128 HG LEU 128 7.266 1.853 1.853 951 1HD1 LEU 128 HD21 LEU 128 7.155 2.922 2.922 952 2HD1 LEU 128 HD23 LEU 128 7.082 1.265 1.265 953 3HD1 LEU 128 HD22 LEU 128 5.835 1.863 1.863 954 1HD2 LEU 128 HD11 LEU 128 8.504 -0.418 -0.418 955 2HD2 LEU 128 HD13 LEU 128 6.744 -0.376 -0.376 956 3HD2 LEU 128 HD12 LEU 128 7.713 -0.518 -0.518 957 H ALA 129 HN ALA 129 11.988 3.743 3.743 958 HA ALA 129 HA ALA 129 13.393 1.523 1.523 959 1HB ALA 129 HB1 ALA 129 13.985 4.389 4.389 960 2HB ALA 129 HB3 ALA 129 15.040 3.514 3.514 961 3HB ALA 129 HB2 ALA 129 14.863 2.965 2.965 962 HA PRO 130 HA PRO 130 13.534 3.299 3.299 963 1HB PRO 130 HB1 PRO 130 12.392 5.701 5.701 964 2HB PRO 130 HB2 PRO 130 14.054 5.541 5.541 965 1HG PRO 130 HG1 PRO 130 11.565 6.199 6.199 966 2HG PRO 130 HG2 PRO 130 13.176 6.931 6.931 967 1HD PRO 130 HD2 PRO 130 12.277 5.073 5.073 968 2HD PRO 130 HD1 PRO 130 13.990 5.233 5.233 969 H GLU 131 HN GLU 131 10.685 3.623 3.623 970 HA GLU 131 HA GLU 131 8.887 3.314 3.314 971 1HB GLU 131 HB1 GLU 131 8.402 3.608 3.608 972 2HB GLU 131 HB2 GLU 131 7.114 3.351 3.351 973 1HG GLU 131 HG2 GLU 131 8.895 5.727 5.727 974 2HG GLU 131 HG1 GLU 131 7.133 5.649 5.649 975 H SER 132 HN SER 132 10.785 1.190 1.190 976 HA SER 132 HA SER 132 8.889 -1.001 -1.001 977 1HB SER 132 HB2 SER 132 10.007 -0.311 -0.311 978 2HB SER 132 HB1 SER 132 11.172 -1.496 -1.496 979 HG SER 132 HG SER 132 9.731 -3.036 -3.036 980 H ASP 133 HN ASP 133 10.600 -3.121 -3.121 981 HA ASP 133 HA ASP 133 11.895 -3.042 -3.042 982 1HB ASP 133 HB2 ASP 133 10.659 -5.034 -5.034 983 2HB ASP 133 HB1 ASP 133 12.082 -5.274 -5.274 984 H LEU 134 HN LEU 134 13.518 -1.443 -1.443 985 HA LEU 134 HA LEU 134 15.491 -1.622 -1.622 986 1HB LEU 134 HB1 LEU 134 15.372 -0.246 -0.246 987 2HB LEU 134 HB2 LEU 134 16.774 -0.134 -0.134 988 HG LEU 134 HG LEU 134 14.982 0.637 0.637 989 1HD1 LEU 134 HD21 LEU 134 13.432 0.436 0.436 990 2HD1 LEU 134 HD23 LEU 134 13.592 2.148 2.148 991 3HD1 LEU 134 HD22 LEU 134 12.944 1.025 1.025 992 1HD2 LEU 134 HD11 LEU 134 16.654 2.002 2.002 993 2HD2 LEU 134 HD13 LEU 134 16.406 2.335 2.335 994 3HD2 LEU 134 HD12 LEU 134 15.284 2.985 2.985 995 H HIS 135 HN HIS 135 15.560 -4.120 -4.120 996 HA HIS 135 HA HIS 135 18.160 -4.688 -4.688 997 1HB HIS 135 HB1 HIS 135 17.140 -4.306 -4.306 998 2HB HIS 135 HB2 HIS 135 15.956 -5.565 -5.565 999 HD2 HIS 135 HD2 HIS 135 19.655 -6.251 -6.251 1000 HE1 HIS 135 HE1 HIS 135 18.661 -8.502 -8.502 1001 HE2 HIS 135 HE2 HIS 135 20.481 -7.966 -7.966 1002 H HIS 136 HN HIS 136 14.905 -6.111 -6.111 1003 HA HIS 136 HA HIS 136 15.634 -8.715 -8.715 1004 1HB HIS 136 HB1 HIS 136 13.327 -8.034 -8.034 1005 2HB HIS 136 HB2 HIS 136 13.229 -7.184 -7.184 1006 HD2 HIS 136 HD2 HIS 136 12.542 -8.696 -8.696 1007 HE1 HIS 136 HE1 HIS 136 12.619 -12.422 -12.422 1008 HE2 HIS 136 HE2 HIS 136 12.188 -11.257 -11.257 1009 H ARG 137 HN ARG 137 15.665 -9.854 -9.854 1010 HA ARG 137 HA ARG 137 16.142 -8.229 -8.229 1011 1HB ARG 137 HB2 ARG 137 18.036 -10.321 -10.321 1012 2HB ARG 137 HB1 ARG 137 18.341 -8.593 -8.593 1013 1HG ARG 137 HG1 ARG 137 18.518 -8.649 -8.649 1014 2HG ARG 137 HG2 ARG 137 17.837 -10.275 -10.275 1015 1HD ARG 137 HD2 ARG 137 20.232 -10.068 -10.068 1016 2HD ARG 137 HD1 ARG 137 20.503 -9.678 -9.678 1017 HE ARG 137 HE ARG 137 19.009 -12.070 -12.070 1018 1HH1 ARG 137 HH11 ARG 137 22.228 -10.792 -10.792 1019 2HH1 ARG 137 HH12 ARG 137 23.005 -12.304 -12.304 1020 1HH2 ARG 137 HH21 ARG 137 20.020 -14.064 -14.064 1021 2HH2 ARG 137 HH22 ARG 137 21.749 -14.165 -14.165 1022 H ASP 138 HN ASP 138 16.073 -9.463 -9.463 1023 HA ASP 138 HA ASP 138 13.927 -11.288 -11.288 1024 1HB ASP 138 HB2 ASP 138 14.974 -9.733 -9.733 1025 2HB ASP 138 HB1 ASP 138 15.891 -11.188 -11.188 1026 H ALA 139 HN ALA 139 13.965 -13.499 -13.499 1027 HA ALA 139 HA ALA 139 15.604 -15.184 -15.184 1028 1HB ALA 139 HB1 ALA 139 13.529 -15.473 -15.473 1029 2HB ALA 139 HB3 ALA 139 14.827 -16.612 -16.612 1030 3HB ALA 139 HB2 ALA 139 14.064 -16.619 -16.619 1031 H SER 140 HN SER 140 16.225 -13.487 -13.487 1032 HA SER 140 HA SER 140 18.220 -15.137 -15.137 1033 1HB SER 140 HB2 SER 140 16.991 -12.627 -12.627 1034 2HB SER 140 HB1 SER 140 18.740 -12.413 -12.413 1035 HG SER 140 HG SER 140 17.073 -13.990 -13.990 1036 H GLY 141 HN GLY 141 18.357 -12.324 -12.324 1037 1HA GLY 141 HA2 GLY 141 20.055 -12.578 -12.578 1038 2HA GLY 141 HA1 GLY 141 21.183 -12.994 -12.994 1039 H LEU 142 HN LEU 142 18.749 -10.484 -10.484 1040 HA LEU 142 HA LEU 142 20.867 -8.452 -8.452 1041 1HB LEU 142 HB1 LEU 142 18.638 -8.113 -8.113 1042 2HB LEU 142 HB2 LEU 142 20.241 -7.406 -7.406 1043 HG LEU 142 HG LEU 142 20.537 -10.225 -10.225 1044 1HD1 LEU 142 HD22 LEU 142 18.105 -9.966 -9.966 1045 2HD1 LEU 142 HD21 LEU 142 18.778 -9.131 -9.131 1046 3HD1 LEU 142 HD23 LEU 142 19.225 -10.805 -10.805 1047 1HD2 LEU 142 HD13 LEU 142 21.096 -7.778 -7.778 1048 2HD2 LEU 142 HD12 LEU 142 22.211 -8.967 -8.967 1049 3HD2 LEU 142 HD11 LEU 142 21.263 -9.358 -9.358 1050 H THR 143 HN THR 143 20.266 -6.447 -6.447 1051 HA THR 143 HA THR 143 17.583 -6.341 -6.341 1052 HB THR 143 HB THR 143 18.454 -5.572 -5.572 1053 HG1 THR 143 HG1 THR 143 19.960 -4.027 -4.027 1054 1HG2 THR 143 HG21 THR 143 20.787 -6.938 -6.938 1055 2HG2 THR 143 HG23 THR 143 20.880 -6.286 -6.286 1056 3HG2 THR 143 HG22 THR 143 19.695 -7.535 -7.535 1057 HA PRO 144 HA PRO 144 16.503 -2.307 -2.307 1058 1HB PRO 144 HB1 PRO 144 17.734 -0.923 -0.923 1059 2HB PRO 144 HB2 PRO 144 16.127 -0.722 -0.722 1060 1HG PRO 144 HG2 PRO 144 16.451 -2.096 -2.096 1061 2HG PRO 144 HG1 PRO 144 15.294 -2.632 -2.632 1062 1HD PRO 144 HD1 PRO 144 17.971 -3.738 -3.738 1063 2HD PRO 144 HD2 PRO 144 16.517 -4.574 -4.574 1064 H LEU 145 HN LEU 145 19.695 -2.160 -2.160 1065 HA LEU 145 HA LEU 145 20.691 -0.139 -0.139 1066 1HB LEU 145 HB2 LEU 145 21.534 -1.415 -1.415 1067 2HB LEU 145 HB1 LEU 145 22.797 -1.675 -1.675 1068 HG LEU 145 HG LEU 145 21.704 0.984 0.984 1069 1HD1 LEU 145 HD11 LEU 145 24.300 -0.466 -0.466 1070 2HD1 LEU 145 HD13 LEU 145 24.133 1.273 1.273 1071 3HD1 LEU 145 HD12 LEU 145 23.178 0.151 0.151 1072 1HD2 LEU 145 HD23 LEU 145 22.852 0.312 0.312 1073 2HD2 LEU 145 HD22 LEU 145 22.463 1.913 1.913 1074 3HD2 LEU 145 HD21 LEU 145 24.059 1.217 1.217 1075 H GLU 146 HN GLU 146 21.204 -3.647 -3.647 1076 HA GLU 146 HA GLU 146 23.021 -3.923 -3.923 1077 1HB GLU 146 HB1 GLU 146 22.193 -5.651 -5.651 1078 2HB GLU 146 HB2 GLU 146 20.940 -6.012 -6.012 1079 1HG GLU 146 HG2 GLU 146 22.588 -7.583 -7.583 1080 2HG GLU 146 HG1 GLU 146 22.860 -6.341 -6.341 1081 H LEU 147 HN LEU 147 19.489 -4.486 -4.486 1082 HA LEU 147 HA LEU 147 19.260 -4.942 -4.942 1083 1HB LEU 147 HB2 LEU 147 17.503 -4.825 -4.825 1084 2HB LEU 147 HB1 LEU 147 17.129 -3.306 -3.306 1085 HG LEU 147 HG LEU 147 16.742 -4.555 -4.555 1086 1HD1 LEU 147 HD21 LEU 147 17.858 -6.700 -6.700 1087 2HD1 LEU 147 HD23 LEU 147 16.269 -7.138 -7.138 1088 3HD1 LEU 147 HD22 LEU 147 17.542 -6.618 -6.618 1089 1HD2 LEU 147 HD11 LEU 147 15.124 -4.492 -4.492 1090 2HD2 LEU 147 HD13 LEU 147 14.635 -4.418 -4.418 1091 3HD2 LEU 147 HD12 LEU 147 14.805 -5.980 -5.980 1092 H ALA 148 HN ALA 148 19.564 -1.917 -1.917 1093 HA ALA 148 HA ALA 148 18.890 -0.175 -0.175 1094 1HB ALA 148 HB2 ALA 148 19.396 0.201 0.201 1095 2HB ALA 148 HB1 ALA 148 20.943 0.715 0.715 1096 3HB ALA 148 HB3 ALA 148 19.452 1.502 1.502 1097 H ARG 149 HN ARG 149 21.829 -1.853 -1.853 1098 HA ARG 149 HA ARG 149 23.571 -0.425 -0.425 1099 1HB ARG 149 HB1 ARG 149 24.565 -1.629 -1.629 1100 2HB ARG 149 HB2 ARG 149 23.760 -3.123 -3.123 1101 1HG ARG 149 HG1 ARG 149 25.196 -3.502 -3.502 1102 2HG ARG 149 HG2 ARG 149 25.689 -1.809 -1.809 1103 1HD ARG 149 HD2 ARG 149 27.429 -2.226 -2.226 1104 2HD ARG 149 HD1 ARG 149 26.350 -2.798 -2.798 1105 HE ARG 149 HE ARG 149 26.538 -4.922 -4.922 1106 1HH1 ARG 149 HH11 ARG 149 28.876 -2.904 -2.904 1107 2HH1 ARG 149 HH12 ARG 149 30.060 -4.161 -4.161 1108 1HH2 ARG 149 HH21 ARG 149 28.089 -6.585 -6.585 1109 2HH2 ARG 149 HH22 ARG 149 29.613 -6.254 -6.254 1110 H GLN 150 HN GLN 150 21.402 -3.120 -3.120 1111 HA GLN 150 HA GLN 150 22.408 -4.073 -4.073 1112 1HB GLN 150 HB1 GLN 150 21.110 -5.628 -5.628 1113 2HB GLN 150 HB2 GLN 150 19.847 -4.453 -4.453 1114 1HG GLN 150 HG1 GLN 150 18.918 -5.882 -5.882 1115 2HG GLN 150 HG2 GLN 150 19.398 -4.456 -4.456 1116 1HE2 GLN 150 HE22 GLN 150 21.440 -7.970 -7.970 1117 2HE2 GLN 150 HE21 GLN 150 20.586 -7.640 -7.640 1118 H ARG 151 HN ARG 151 19.137 -2.785 -2.785 1119 HA ARG 151 HA ARG 151 19.119 -1.672 -1.672 1120 1HB ARG 151 HB2 ARG 151 17.189 -1.907 -1.907 1121 2HB ARG 151 HB1 ARG 151 16.919 -0.600 -0.600 1122 1HG ARG 151 HG2 ARG 151 15.686 -2.233 -2.233 1123 2HG ARG 151 HG1 ARG 151 17.243 -2.542 -2.542 1124 1HD ARG 151 HD1 ARG 151 17.406 -4.013 -4.013 1125 2HD ARG 151 HD2 ARG 151 15.712 -4.189 -4.189 1126 HE ARG 151 HE ARG 151 17.659 -4.653 -4.653 1127 1HH1 ARG 151 HH11 ARG 151 15.594 -6.019 -6.019 1128 2HH1 ARG 151 HH12 ARG 151 15.581 -7.599 -7.599 1129 1HH2 ARG 151 HH21 ARG 151 17.648 -6.730 -6.730 1130 2HH2 ARG 151 HH22 ARG 151 16.748 -8.004 -8.004 1131 H GLY 152 HN GLY 152 21.097 -0.381 -0.381 1132 1HA GLY 152 HA1 GLY 152 20.979 1.844 1.844 1133 2HA GLY 152 HA2 GLY 152 22.186 1.569 1.569 1134 H ALA 153 HN ALA 153 18.661 2.021 2.021 1135 HA ALA 153 HA ALA 153 18.463 3.411 3.411 1136 1HB ALA 153 HB3 ALA 153 16.543 2.870 2.870 1137 2HB ALA 153 HB2 ALA 153 17.016 4.144 4.144 1138 3HB ALA 153 HB1 ALA 153 16.504 4.558 4.558 1139 H GLN 154 HN GLN 154 19.707 4.584 4.584 1140 HA GLN 154 HA GLN 154 21.319 6.579 6.579 1141 1HB GLN 154 HB1 GLN 154 20.192 8.621 8.621 1142 2HB GLN 154 HB2 GLN 154 19.116 7.693 7.693 1143 1HG GLN 154 HG1 GLN 154 18.938 7.877 7.877 1144 2HG GLN 154 HG2 GLN 154 17.921 8.734 8.734 1145 1HE2 GLN 154 HE22 GLN 154 16.605 5.352 5.352 1146 2HE2 GLN 154 HE21 GLN 154 17.623 6.498 6.498 1147 H ASN 155 HN ASN 155 20.732 8.354 8.354 1148 HA ASN 155 HA ASN 155 22.499 6.995 6.995 1149 1HB ASN 155 HB1 ASN 155 21.036 9.576 9.576 1150 2HB ASN 155 HB2 ASN 155 21.465 8.940 8.940 1151 1HD2 ASN 155 HD22 ASN 155 24.613 9.532 9.532 1152 2HD2 ASN 155 HD21 ASN 155 23.188 8.718 8.718 1153 H LEU 156 HN LEU 156 20.748 5.093 5.093 1154 HA LEU 156 HA LEU 156 18.485 5.175 5.175 1155 1HB LEU 156 HB1 LEU 156 19.819 3.209 3.209 1156 2HB LEU 156 HB2 LEU 156 19.050 2.511 2.511 1157 HG LEU 156 HG LEU 156 17.793 3.954 3.954 1158 1HD1 LEU 156 HD12 LEU 156 18.032 1.270 1.270 1159 2HD1 LEU 156 HD11 LEU 156 16.340 1.731 1.731 1160 3HD1 LEU 156 HD13 LEU 156 17.133 1.907 1.907 1161 1HD2 LEU 156 HD23 LEU 156 16.858 3.874 3.874 1162 2HD2 LEU 156 HD22 LEU 156 16.628 5.111 5.111 1163 3HD2 LEU 156 HD21 LEU 156 15.666 3.632 3.632 1164 H MET 157 HN MET 157 21.315 3.039 3.039 1165 HA MET 157 HA MET 157 20.969 2.279 2.279 1166 1HB MET 157 HB2 MET 157 23.035 1.286 1.286 1167 2HB MET 157 HB1 MET 157 22.649 1.527 1.527 1168 1HG MET 157 HG2 MET 157 23.984 3.584 3.584 1169 2HG MET 157 HG1 MET 157 24.412 3.287 3.287 1170 1HE MET 157 HE1 MET 157 25.462 0.769 0.769 1171 2HE MET 157 HE3 MET 157 24.429 -0.068 -0.068 1172 3HE MET 157 HE2 MET 157 26.177 -0.298 -0.298 1173 H ASP 158 HN ASP 158 21.982 5.305 5.305 1174 HA ASP 158 HA ASP 158 23.463 6.180 6.180 1175 1HB ASP 158 HB2 ASP 158 23.780 7.167 7.167 1176 2HB ASP 158 HB1 ASP 158 22.141 7.810 7.810 1177 H ILE 159 HN ILE 159 20.134 6.766 6.766 1178 HA ILE 159 HA ILE 159 19.385 8.482 8.482 1179 HB ILE 159 HB ILE 159 17.463 6.593 6.593 1180 1HG1 ILE 159 HG12 ILE 159 17.770 9.165 9.165 1181 2HG1 ILE 159 HG11 ILE 159 19.240 8.203 8.203 1182 1HG2 ILE 159 HG22 ILE 159 17.348 9.220 9.220 1183 2HG2 ILE 159 HG21 ILE 159 16.180 8.881 8.881 1184 3HG2 ILE 159 HG23 ILE 159 16.276 7.828 7.828 1185 1HD1 ILE 159 HD12 ILE 159 17.765 6.308 6.308 1186 2HD1 ILE 159 HD11 ILE 159 16.504 7.523 7.523 1187 3HD1 ILE 159 HD13 ILE 159 18.011 7.663 7.663 1188 H LEU 160 HN LEU 160 18.887 4.977 4.977 1189 HA LEU 160 HA LEU 160 17.662 4.639 4.639 1190 1HB LEU 160 HB2 LEU 160 19.093 2.572 2.572 1191 2HB LEU 160 HB1 LEU 160 17.940 2.257 2.257 1192 HG LEU 160 HG LEU 160 16.324 3.674 3.674 1193 1HD1 LEU 160 HD21 LEU 160 18.647 3.157 3.157 1194 2HD1 LEU 160 HD23 LEU 160 17.081 2.760 2.760 1195 3HD1 LEU 160 HD22 LEU 160 17.393 4.392 4.392 1196 1HD2 LEU 160 HD12 LEU 160 16.349 1.163 1.163 1197 2HD2 LEU 160 HD11 LEU 160 15.387 1.695 1.695 1198 3HD2 LEU 160 HD13 LEU 160 16.954 0.930 0.930 1199 H GLN 161 HN GLN 161 20.977 4.657 4.657 1200 HA GLN 161 HA GLN 161 22.149 3.352 3.352 1201 1HB GLN 161 HB1 GLN 161 23.450 3.667 3.667 1202 2HB GLN 161 HB2 GLN 161 23.234 5.411 5.411 1203 1HG GLN 161 HG2 GLN 161 24.409 4.993 4.993 1204 2HG GLN 161 HG1 GLN 161 25.120 3.681 3.681 1205 1HE2 GLN 161 HE22 GLN 161 26.920 7.064 7.064 1206 2HE2 GLN 161 HE21 GLN 161 26.105 6.336 6.336 1207 H GLY 162 HN GLY 162 21.416 6.764 6.764 1208 1HA GLY 162 HA2 GLY 162 22.587 7.707 7.707 1209 2HA GLY 162 HA1 GLY 162 21.485 8.601 8.601 1210 H HIS 163 HN HIS 163 19.215 7.082 7.082 1211 HA HIS 163 HA HIS 163 18.147 7.789 7.789 1212 1HB HIS 163 HB1 HIS 163 16.920 6.126 6.126 1213 2HB HIS 163 HB2 HIS 163 16.050 6.820 6.820 1214 HD2 HIS 163 HD2 HIS 163 15.285 7.676 7.676 1215 HE1 HIS 163 HE1 HIS 163 17.160 11.317 11.317 1216 HE2 HIS 163 HE2 HIS 163 15.728 10.144 10.144 1217 H MET 164 HN MET 164 19.643 4.965 4.965 1218 HA MET 164 HA MET 164 18.500 2.868 2.868 1219 1HB MET 164 HB1 MET 164 20.763 3.156 3.156 1220 2HB MET 164 HB2 MET 164 21.458 2.996 2.996 1221 1HG MET 164 HG1 MET 164 19.429 1.002 1.002 1222 2HG MET 164 HG2 MET 164 20.660 0.952 0.952 1223 1HE MET 164 HE2 MET 164 22.186 -0.445 -0.445 1224 2HE MET 164 HE1 MET 164 23.358 -0.880 -0.880 1225 3HE MET 164 HE3 MET 164 21.827 -1.748 -1.748 1226 H MET 165 HN MET 165 21.344 4.519 4.519 1227 HA MET 165 HA MET 165 20.369 5.266 5.266 1228 1HB MET 165 HB2 MET 165 20.369 2.439 2.439 1229 2HB MET 165 HB1 MET 165 21.653 2.884 2.884 1230 1HG MET 165 HG1 MET 165 18.839 3.913 3.913 1231 2HG MET 165 HG2 MET 165 19.408 2.450 2.450 1232 1HE MET 165 HE2 MET 165 20.455 2.184 2.184 1233 2HE MET 165 HE1 MET 165 21.957 3.068 3.068 1234 3HE MET 165 HE3 MET 165 20.554 3.372 3.372 1235 H ILE 166 HN ILE 166 23.044 3.015 3.015 1236 HA ILE 166 HA ILE 166 25.248 3.277 3.277 1237 HB ILE 166 HB ILE 166 26.055 5.448 5.448 1238 1HG1 ILE 166 HG12 ILE 166 24.798 4.880 4.880 1239 2HG1 ILE 166 HG11 ILE 166 23.550 4.230 4.230 1240 1HG2 ILE 166 HG23 ILE 166 26.765 2.946 2.946 1241 2HG2 ILE 166 HG22 ILE 166 25.722 2.760 2.760 1242 3HG2 ILE 166 HG21 ILE 166 27.094 3.866 3.866 1243 1HD1 ILE 166 HD11 ILE 166 24.256 6.807 6.807 1244 2HD1 ILE 166 HD13 ILE 166 23.974 6.906 6.906 1245 3HD1 ILE 166 HD12 ILE 166 22.723 6.257 6.257 1246 HA PRO 167 HA PRO 167 24.668 6.848 6.848 1247 1HB PRO 167 HB2 PRO 167 25.041 5.505 5.505 1248 2HB PRO 167 HB1 PRO 167 23.486 5.486 5.486 1249 1HG PRO 167 HG1 PRO 167 25.660 3.427 3.427 1250 2HG PRO 167 HG2 PRO 167 23.905 3.201 3.201 1251 1HD PRO 167 HD2 PRO 167 25.341 2.882 2.882 1252 2HD PRO 167 HD1 PRO 167 23.622 3.319 3.319 1253 H MET 168 HN MET 168 27.148 5.101 5.101 1254 HA MET 168 HA MET 168 29.119 6.500 6.500 1255 1HB MET 168 HB2 MET 168 29.259 3.705 3.705 1256 2HB MET 168 HB1 MET 168 30.672 4.566 4.566 1257 1HG MET 168 HG1 MET 168 29.815 4.627 4.627 1258 2HG MET 168 HG2 MET 168 28.227 4.076 4.076 1259 1HE MET 168 HE3 MET 168 31.865 3.026 3.026 1260 2HE MET 168 HE2 MET 168 31.908 2.923 2.923 1261 3HE MET 168 HE1 MET 168 32.017 1.456 1.456 Start of MODEL 2 1 1H GLY 1 HT3 GLY 1 -35.340 -18.627 -18.627 2 2H GLY 1 HT2 GLY 1 -36.965 -19.086 -19.086 3 3H GLY 1 HT1 GLY 1 -36.435 -17.673 -17.673 4 1HA GLY 1 HA1 GLY 1 -36.798 -16.468 -16.468 5 2HA GLY 1 HA2 GLY 1 -37.512 -17.898 -17.898 6 H SER 2 HN SER 2 -34.294 -16.525 -16.525 7 HA SER 2 HA SER 2 -33.514 -17.245 -17.245 8 1HB SER 2 HB1 SER 2 -32.614 -18.810 -18.810 9 2HB SER 2 HB2 SER 2 -31.556 -17.459 -17.459 10 HG SER 2 HG SER 2 -30.803 -17.513 -17.513 11 H MET 3 HN MET 3 -33.450 -15.264 -15.264 12 HA MET 3 HA MET 3 -31.716 -13.262 -13.262 13 1HB MET 3 HB2 MET 3 -33.138 -11.506 -11.506 14 2HB MET 3 HB1 MET 3 -34.033 -12.529 -12.529 15 1HG MET 3 HG2 MET 3 -35.143 -13.642 -13.642 16 2HG MET 3 HG1 MET 3 -34.058 -12.962 -12.962 17 1HE MET 3 HE3 MET 3 -34.902 -11.879 -11.879 18 2HE MET 3 HE2 MET 3 -35.382 -10.189 -10.189 19 3HE MET 3 HE1 MET 3 -36.611 -11.443 -11.443 20 H LEU 4 HN LEU 4 -30.832 -15.227 -15.227 21 HA LEU 4 HA LEU 4 -30.670 -14.097 -14.097 22 1HB LEU 4 HB2 LEU 4 -29.285 -16.406 -16.406 23 2HB LEU 4 HB1 LEU 4 -28.914 -15.921 -15.921 24 HG LEU 4 HG LEU 4 -31.669 -16.737 -16.737 25 1HD1 LEU 4 HD11 LEU 4 -29.403 -18.367 -18.367 26 2HD1 LEU 4 HD13 LEU 4 -30.462 -18.601 -18.601 27 3HD1 LEU 4 HD12 LEU 4 -31.078 -18.867 -18.867 28 1HD2 LEU 4 HD22 LEU 4 -30.520 -15.741 -15.741 29 2HD2 LEU 4 HD21 LEU 4 -32.179 -15.686 -15.686 30 3HD2 LEU 4 HD23 LEU 4 -31.559 -17.157 -17.157 31 H LEU 5 HN LEU 5 -28.855 -13.837 -13.837 32 HA LEU 5 HA LEU 5 -26.968 -12.699 -12.699 33 1HB LEU 5 HB1 LEU 5 -27.124 -11.080 -11.080 34 2HB LEU 5 HB2 LEU 5 -26.748 -10.572 -10.572 35 HG LEU 5 HG LEU 5 -29.508 -11.371 -11.371 36 1HD1 LEU 5 HD13 LEU 5 -28.034 -8.955 -8.955 37 2HD1 LEU 5 HD12 LEU 5 -29.409 -8.636 -8.636 38 3HD1 LEU 5 HD11 LEU 5 -29.663 -9.384 -9.384 39 1HD2 LEU 5 HD22 LEU 5 -28.329 -10.811 -10.811 40 2HD2 LEU 5 HD21 LEU 5 -29.925 -11.448 -11.448 41 3HD2 LEU 5 HD23 LEU 5 -29.654 -9.706 -9.706 42 H GLU 6 HN GLU 6 -24.854 -11.645 -11.645 43 HA GLU 6 HA GLU 6 -23.924 -13.636 -13.636 44 1HB GLU 6 HB2 GLU 6 -21.678 -13.235 -13.235 45 2HB GLU 6 HB1 GLU 6 -22.714 -14.654 -14.654 46 1HG GLU 6 HG2 GLU 6 -23.651 -12.441 -12.441 47 2HG GLU 6 HG1 GLU 6 -22.077 -13.075 -13.075 48 H GLU 7 HN GLU 7 -24.654 -11.257 -11.257 49 HA GLU 7 HA GLU 7 -24.012 -9.271 -9.271 50 1HB GLU 7 HB2 GLU 7 -21.450 -9.723 -9.723 51 2HB GLU 7 HB1 GLU 7 -22.926 -10.161 -10.161 52 1HG GLU 7 HG1 GLU 7 -22.812 -12.366 -12.366 53 2HG GLU 7 HG2 GLU 7 -21.171 -11.900 -11.900 54 H VAL 8 HN VAL 8 -23.949 -8.375 -8.375 55 HA VAL 8 HA VAL 8 -21.230 -7.406 -7.406 56 HB VAL 8 HB VAL 8 -23.387 -8.193 -8.193 57 1HG1 VAL 8 HG12 VAL 8 -20.878 -6.588 -6.588 58 2HG1 VAL 8 HG11 VAL 8 -21.701 -7.440 -7.440 59 3HG1 VAL 8 HG13 VAL 8 -22.535 -6.159 -6.159 60 1HG2 VAL 8 HG22 VAL 8 -20.752 -9.294 -9.294 61 2HG2 VAL 8 HG21 VAL 8 -22.237 -10.128 -10.128 62 3HG2 VAL 8 HG23 VAL 8 -21.208 -9.415 -9.415 63 H CYS 9 HN CYS 9 -24.252 -6.548 -6.548 64 HA CYS 9 HA CYS 9 -25.348 -4.570 -4.570 65 1HB CYS 9 HB2 CYS 9 -24.750 -4.815 -4.815 66 2HB CYS 9 HB1 CYS 9 -24.717 -3.121 -3.121 67 HG CYS 9 HG CYS 9 -27.140 -3.509 -3.509 68 H VAL 10 HN VAL 10 -22.829 -3.211 -3.211 69 HA VAL 10 HA VAL 10 -22.112 -1.380 -1.380 70 HB VAL 10 HB VAL 10 -21.403 0.112 0.112 71 1HG1 VAL 10 HG11 VAL 10 -23.762 -0.671 -0.671 72 2HG1 VAL 10 HG13 VAL 10 -23.078 -1.573 -1.573 73 3HG1 VAL 10 HG12 VAL 10 -22.938 0.184 0.184 74 1HG2 VAL 10 HG21 VAL 10 -20.610 -2.234 -2.234 75 2HG2 VAL 10 HG23 VAL 10 -19.556 -1.063 -1.063 76 3HG2 VAL 10 HG22 VAL 10 -20.565 -0.565 -0.565 77 H GLY 11 HN GLY 11 -21.015 -4.251 -4.251 78 1HA GLY 11 HA1 GLY 11 -18.368 -4.297 -4.297 79 2HA GLY 11 HA2 GLY 11 -19.213 -5.546 -5.546 80 H ASP 12 HN ASP 12 -20.057 -3.666 -3.666 81 HA ASP 12 HA ASP 12 -17.464 -3.428 -3.428 82 1HB ASP 12 HB2 ASP 12 -20.219 -3.693 -3.693 83 2HB ASP 12 HB1 ASP 12 -19.088 -5.023 -5.023 84 H ARG 13 HN ARG 13 -20.205 -1.707 -1.707 85 HA ARG 13 HA ARG 13 -20.269 0.500 0.500 86 1HB ARG 13 HB2 ARG 13 -21.912 -0.047 -0.047 87 2HB ARG 13 HB1 ARG 13 -20.738 0.564 0.564 88 1HG ARG 13 HG2 ARG 13 -22.226 2.332 2.332 89 2HG ARG 13 HG1 ARG 13 -20.797 2.737 2.737 90 1HD ARG 13 HD1 ARG 13 -21.850 2.131 2.131 91 2HD ARG 13 HD2 ARG 13 -23.159 1.302 1.302 92 HE ARG 13 HE ARG 13 -23.047 4.057 4.057 93 1HH1 ARG 13 HH11 ARG 13 -24.141 1.854 1.854 94 2HH1 ARG 13 HH12 ARG 13 -25.416 2.891 2.891 95 1HH2 ARG 13 HH21 ARG 13 -24.723 5.431 5.431 96 2HH2 ARG 13 HH22 ARG 13 -25.748 4.926 4.926 97 H LEU 14 HN LEU 14 -18.812 0.542 0.542 98 HA LEU 14 HA LEU 14 -17.248 2.842 2.842 99 1HB LEU 14 HB2 LEU 14 -17.638 2.666 2.666 100 2HB LEU 14 HB1 LEU 14 -17.525 0.918 0.918 101 HG LEU 14 HG LEU 14 -15.038 1.150 1.150 102 1HD1 LEU 14 HD22 LEU 14 -15.793 3.936 3.936 103 2HD1 LEU 14 HD21 LEU 14 -14.591 3.678 3.678 104 3HD1 LEU 14 HD23 LEU 14 -14.267 3.140 3.140 105 1HD2 LEU 14 HD12 LEU 14 -16.469 0.973 0.973 106 2HD2 LEU 14 HD11 LEU 14 -14.735 1.279 1.279 107 3HD2 LEU 14 HD13 LEU 14 -15.875 2.611 2.611 108 H SER 15 HN SER 15 -16.776 -0.503 -0.503 109 HA SER 15 HA SER 15 -13.921 -0.487 -0.487 110 1HB SER 15 HB2 SER 15 -15.271 -2.553 -2.553 111 2HB SER 15 HB1 SER 15 -15.808 -2.417 -2.417 112 HG SER 15 HG SER 15 -13.594 -2.578 -2.578 113 H GLY 16 HN GLY 16 -16.424 -0.230 -0.230 114 1HA GLY 16 HA1 GLY 16 -14.562 -0.056 -0.056 115 2HA GLY 16 HA2 GLY 16 -16.278 0.314 0.314 116 H ALA 17 HN ALA 17 -16.176 2.299 2.299 117 HA ALA 17 HA ALA 17 -15.518 4.565 4.565 118 1HB ALA 17 HB2 ALA 17 -16.894 4.048 4.048 119 2HB ALA 17 HB1 ALA 17 -15.868 5.477 5.477 120 3HB ALA 17 HB3 ALA 17 -17.097 5.372 5.372 121 H ALA 18 HN ALA 18 -13.996 2.968 2.968 122 HA ALA 18 HA ALA 18 -11.978 4.953 4.953 123 1HB ALA 18 HB1 ALA 18 -12.556 2.269 2.269 124 2HB ALA 18 HB3 ALA 18 -10.893 2.846 2.846 125 3HB ALA 18 HB2 ALA 18 -12.202 3.787 3.787 126 H ALA 19 HN ALA 19 -12.086 1.804 1.804 127 HA ALA 19 HA ALA 19 -9.353 1.774 1.774 128 1HB ALA 19 HB2 ALA 19 -10.727 -0.253 -0.253 129 2HB ALA 19 HB1 ALA 19 -11.678 0.330 0.330 130 3HB ALA 19 HB3 ALA 19 -9.969 -0.053 -0.053 131 H ARG 20 HN ARG 20 -12.271 2.999 2.999 132 HA ARG 20 HA ARG 20 -11.115 3.503 3.503 133 1HB ARG 20 HB1 ARG 20 -13.107 4.712 4.712 134 2HB ARG 20 HB2 ARG 20 -13.575 3.345 3.345 135 1HG ARG 20 HG2 ARG 20 -13.912 4.708 4.708 136 2HG ARG 20 HG1 ARG 20 -13.079 6.075 6.075 137 1HD ARG 20 HD1 ARG 20 -15.387 6.565 6.565 138 2HD ARG 20 HD2 ARG 20 -14.897 6.076 6.076 139 HE ARG 20 HE ARG 20 -15.943 3.929 3.929 140 1HH1 ARG 20 HH11 ARG 20 -16.714 6.522 6.522 141 2HH1 ARG 20 HH12 ARG 20 -18.206 5.813 5.813 142 1HH2 ARG 20 HH21 ARG 20 -17.908 2.986 2.986 143 2HH2 ARG 20 HH22 ARG 20 -18.886 3.803 3.803 144 H GLY 21 HN GLY 21 -10.588 4.941 4.941 145 1HA GLY 21 HA1 GLY 21 -9.423 6.812 6.812 146 2HA GLY 21 HA2 GLY 21 -8.835 6.890 6.890 147 H ASP 22 HN ASP 22 -11.586 7.736 7.736 148 HA ASP 22 HA ASP 22 -11.917 10.184 10.184 149 1HB ASP 22 HB2 ASP 22 -13.678 8.019 8.019 150 2HB ASP 22 HB1 ASP 22 -14.486 9.163 9.163 151 H VAL 23 HN VAL 23 -10.997 11.348 11.348 152 HA VAL 23 HA VAL 23 -11.556 11.148 11.148 153 HB VAL 23 HB VAL 23 -9.771 12.567 12.567 154 1HG1 VAL 23 HG13 VAL 23 -11.351 13.272 13.272 155 2HG1 VAL 23 HG12 VAL 23 -11.331 14.751 14.751 156 3HG1 VAL 23 HG11 VAL 23 -9.815 14.028 14.028 157 1HG2 VAL 23 HG23 VAL 23 -11.520 13.290 13.290 158 2HG2 VAL 23 HG22 VAL 23 -10.056 14.204 14.204 159 3HG2 VAL 23 HG21 VAL 23 -11.604 14.717 14.717 160 H GLN 24 HN GLN 24 -13.548 12.341 12.341 161 HA GLN 24 HA GLN 24 -15.257 13.976 13.976 162 1HB GLN 24 HB2 GLN 24 -15.834 12.680 12.680 163 2HB GLN 24 HB1 GLN 24 -16.723 14.012 14.012 164 1HG GLN 24 HG1 GLN 24 -13.902 14.604 14.604 165 2HG GLN 24 HG2 GLN 24 -14.605 14.191 14.191 166 1HE2 GLN 24 HE22 GLN 24 -14.931 17.838 17.838 167 2HE2 GLN 24 HE21 GLN 24 -13.620 16.713 16.713 168 H GLU 25 HN GLU 25 -15.513 10.683 10.683 169 HA GLU 25 HA GLU 25 -18.032 10.161 10.161 170 1HB GLU 25 HB2 GLU 25 -15.990 8.236 8.236 171 2HB GLU 25 HB1 GLU 25 -17.648 7.833 7.833 172 1HG GLU 25 HG2 GLU 25 -17.643 10.071 10.071 173 2HG GLU 25 HG1 GLU 25 -16.663 8.774 8.774 174 H VAL 26 HN VAL 26 -14.677 9.294 9.294 175 HA VAL 26 HA VAL 26 -15.094 7.626 7.626 176 HB VAL 26 HB VAL 26 -12.873 8.276 8.276 177 1HG1 VAL 26 HG21 VAL 26 -13.090 10.493 10.493 178 2HG1 VAL 26 HG23 VAL 26 -11.614 10.049 10.049 179 3HG1 VAL 26 HG22 VAL 26 -13.001 10.670 10.670 180 1HG2 VAL 26 HG13 VAL 26 -13.454 7.051 7.051 181 2HG2 VAL 26 HG12 VAL 26 -11.833 7.186 7.186 182 3HG2 VAL 26 HG11 VAL 26 -12.373 8.336 8.336 183 H ARG 27 HN ARG 27 -14.991 11.164 11.164 184 HA ARG 27 HA ARG 27 -15.233 11.522 11.522 185 1HB ARG 27 HB2 ARG 27 -15.678 13.331 13.331 186 2HB ARG 27 HB1 ARG 27 -15.991 13.869 13.869 187 1HG ARG 27 HG2 ARG 27 -13.739 13.716 13.716 188 2HG ARG 27 HG1 ARG 27 -13.341 12.716 12.716 189 1HD ARG 27 HD2 ARG 27 -13.315 15.577 15.577 190 2HD ARG 27 HD1 ARG 27 -12.704 14.568 14.568 191 HE ARG 27 HE ARG 27 -14.662 14.934 14.934 192 1HH1 ARG 27 HH21 ARG 27 -14.916 16.233 16.233 193 2HH1 ARG 27 HH22 ARG 27 -16.353 17.139 17.139 194 1HH2 ARG 27 HH11 ARG 27 -16.552 16.126 16.126 195 2HH2 ARG 27 HH12 ARG 27 -17.282 17.078 17.078 196 H ARG 28 HN ARG 28 -17.611 12.187 12.187 197 HA ARG 28 HA ARG 28 -19.815 12.533 12.533 198 1HB ARG 28 HB2 ARG 28 -19.388 11.963 11.963 199 2HB ARG 28 HB1 ARG 28 -20.967 11.514 11.514 200 1HG ARG 28 HG2 ARG 28 -21.001 13.903 13.903 201 2HG ARG 28 HG1 ARG 28 -19.710 14.217 14.217 202 1HD ARG 28 HD2 ARG 28 -21.092 14.027 14.027 203 2HD ARG 28 HD1 ARG 28 -22.122 12.830 12.830 204 HE ARG 28 HE ARG 28 -22.280 15.538 15.538 205 1HH1 ARG 28 HH11 ARG 28 -23.623 13.111 13.111 206 2HH1 ARG 28 HH12 ARG 28 -25.178 13.865 13.865 207 1HH2 ARG 28 HH21 ARG 28 -24.325 16.541 16.541 208 2HH2 ARG 28 HH22 ARG 28 -25.576 15.816 15.816 209 H LEU 29 HN LEU 29 -18.162 9.670 9.670 210 HA LEU 29 HA LEU 29 -20.298 7.828 7.828 211 1HB LEU 29 HB1 LEU 29 -17.372 7.672 7.672 212 2HB LEU 29 HB2 LEU 29 -18.115 6.306 6.306 213 HG LEU 29 HG LEU 29 -19.017 7.373 7.373 214 1HD1 LEU 29 HD12 LEU 29 -16.822 5.584 5.584 215 2HD1 LEU 29 HD11 LEU 29 -17.923 4.927 4.927 216 3HD1 LEU 29 HD13 LEU 29 -17.117 6.468 6.468 217 1HD2 LEU 29 HD21 LEU 29 -20.016 5.353 5.353 218 2HD2 LEU 29 HD23 LEU 29 -20.813 6.139 6.139 219 3HD2 LEU 29 HD22 LEU 29 -19.766 4.746 4.746 220 H LEU 30 HN LEU 30 -17.300 8.186 8.186 221 HA LEU 30 HA LEU 30 -18.380 6.911 6.911 222 1HB LEU 30 HB1 LEU 30 -15.937 8.628 8.628 223 2HB LEU 30 HB2 LEU 30 -16.324 7.849 7.849 224 HG LEU 30 HG LEU 30 -14.697 6.762 6.762 225 1HD1 LEU 30 HD21 LEU 30 -16.132 5.893 5.893 226 2HD1 LEU 30 HD23 LEU 30 -16.124 4.580 4.580 227 3HD1 LEU 30 HD22 LEU 30 -14.602 5.290 5.290 228 1HD2 LEU 30 HD11 LEU 30 -17.452 5.790 5.790 229 2HD2 LEU 30 HD13 LEU 30 -16.275 6.567 6.567 230 3HD2 LEU 30 HD12 LEU 30 -15.965 4.947 4.947 231 H HIS 31 HN HIS 31 -17.838 10.322 10.322 232 HA HIS 31 HA HIS 31 -18.782 11.286 11.286 233 1HB HIS 31 HB2 HIS 31 -18.314 12.660 12.660 234 2HB HIS 31 HB1 HIS 31 -18.824 13.509 13.509 235 HD2 HIS 31 HD2 HIS 31 -15.721 11.410 11.410 236 HE1 HIS 31 HE1 HIS 31 -14.574 14.043 14.043 237 HE2 HIS 31 HE2 HIS 31 -13.792 12.213 12.213 238 H ARG 32 HN ARG 32 -20.429 9.790 9.790 239 HA ARG 32 HA ARG 32 -22.949 10.913 10.913 240 1HB ARG 32 HB1 ARG 32 -21.882 11.889 11.889 241 2HB ARG 32 HB2 ARG 32 -22.930 10.604 10.604 242 1HG ARG 32 HG2 ARG 32 -24.280 12.177 12.177 243 2HG ARG 32 HG1 ARG 32 -23.658 13.197 13.197 244 1HD ARG 32 HD2 ARG 32 -25.487 12.619 12.619 245 2HD ARG 32 HD1 ARG 32 -24.711 11.050 11.050 246 HE ARG 32 HE ARG 32 -26.222 10.138 10.138 247 1HH1 ARG 32 HH21 ARG 32 -26.296 13.605 13.605 248 2HH1 ARG 32 HH22 ARG 32 -27.689 13.620 13.620 249 1HH2 ARG 32 HH11 ARG 32 -28.061 10.144 10.144 250 2HH2 ARG 32 HH12 ARG 32 -28.692 11.651 11.651 251 H GLU 33 HN GLU 33 -22.118 8.926 8.926 252 HA GLU 33 HA GLU 33 -24.109 7.092 7.092 253 1HB GLU 33 HB1 GLU 33 -22.479 7.125 7.125 254 2HB GLU 33 HB2 GLU 33 -21.227 6.538 6.538 255 1HG GLU 33 HG1 GLU 33 -22.125 4.784 4.784 256 2HG GLU 33 HG2 GLU 33 -22.357 4.433 4.433 257 H LEU 34 HN LEU 34 -21.354 7.325 7.325 258 HA LEU 34 HA LEU 34 -20.715 6.172 6.172 259 1HB LEU 34 HB1 LEU 34 -23.607 6.274 6.274 260 2HB LEU 34 HB2 LEU 34 -23.029 4.834 4.834 261 HG LEU 34 HG LEU 34 -21.468 6.505 6.505 262 1HD1 LEU 34 HD22 LEU 34 -22.288 8.377 8.377 263 2HD1 LEU 34 HD21 LEU 34 -23.732 8.384 8.384 264 3HD1 LEU 34 HD23 LEU 34 -22.153 8.719 8.719 265 1HD2 LEU 34 HD12 LEU 34 -24.274 5.725 5.725 266 2HD2 LEU 34 HD11 LEU 34 -22.865 5.511 5.511 267 3HD2 LEU 34 HD13 LEU 34 -23.698 7.065 7.065 268 H VAL 35 HN VAL 35 -19.781 4.826 4.826 269 HA VAL 35 HA VAL 35 -20.844 2.140 2.140 270 HB VAL 35 HB VAL 35 -18.157 2.685 2.685 271 1HG1 VAL 35 HG12 VAL 35 -20.599 1.157 1.157 272 2HG1 VAL 35 HG11 VAL 35 -19.588 1.705 1.705 273 3HG1 VAL 35 HG13 VAL 35 -18.902 0.680 0.680 274 1HG2 VAL 35 HG22 VAL 35 -20.473 4.397 4.397 275 2HG2 VAL 35 HG21 VAL 35 -18.750 4.694 4.694 276 3HG2 VAL 35 HG23 VAL 35 -19.649 3.738 3.738 277 H HIS 36 HN HIS 36 -19.915 0.284 0.284 278 HA HIS 36 HA HIS 36 -18.326 0.582 0.582 279 1HB HIS 36 HB1 HIS 36 -20.193 -1.189 -1.189 280 2HB HIS 36 HB2 HIS 36 -18.815 -2.088 -2.088 281 HD2 HIS 36 HD2 HIS 36 -19.562 -0.294 -0.294 282 HE1 HIS 36 HE1 HIS 36 -17.612 -3.996 -3.996 283 HE2 HIS 36 HE2 HIS 36 -18.781 -2.040 -2.040 284 HA PRO 37 HA PRO 37 -14.317 0.131 0.131 285 1HB PRO 37 HB1 PRO 37 -12.978 -0.885 -0.885 286 2HB PRO 37 HB2 PRO 37 -13.458 0.811 0.811 287 1HG PRO 37 HG1 PRO 37 -14.789 -1.435 -1.435 288 2HG PRO 37 HG2 PRO 37 -14.498 0.232 0.232 289 1HD PRO 37 HD2 PRO 37 -16.900 -0.591 -0.591 290 2HD PRO 37 HD1 PRO 37 -16.299 1.057 1.057 291 H ASP 38 HN ASP 38 -16.016 -2.550 -2.550 292 HA ASP 38 HA ASP 38 -14.149 -4.504 -4.504 293 1HB ASP 38 HB2 ASP 38 -16.222 -5.982 -5.982 294 2HB ASP 38 HB1 ASP 38 -16.351 -4.539 -4.539 295 H ALA 39 HN ALA 39 -15.560 -2.800 -2.800 296 HA ALA 39 HA ALA 39 -17.681 -4.354 -4.354 297 1HB ALA 39 HB2 ALA 39 -16.712 -1.682 -1.682 298 2HB ALA 39 HB1 ALA 39 -16.764 -2.398 -2.398 299 3HB ALA 39 HB3 ALA 39 -18.218 -2.366 -2.366 300 H LEU 40 HN LEU 40 -17.459 -5.931 -5.931 301 HA LEU 40 HA LEU 40 -14.960 -6.078 -6.078 302 1HB LEU 40 HB2 LEU 40 -16.346 -8.612 -8.612 303 2HB LEU 40 HB1 LEU 40 -14.632 -8.280 -8.280 304 HG LEU 40 HG LEU 40 -15.589 -6.935 -6.935 305 1HD1 LEU 40 HD11 LEU 40 -17.183 -9.118 -9.118 306 2HD1 LEU 40 HD13 LEU 40 -15.932 -9.768 -9.768 307 3HD1 LEU 40 HD12 LEU 40 -16.889 -8.380 -8.380 308 1HD2 LEU 40 HD21 LEU 40 -13.710 -9.224 -9.224 309 2HD2 LEU 40 HD23 LEU 40 -13.311 -7.532 -7.532 310 3HD2 LEU 40 HD22 LEU 40 -13.961 -8.530 -8.530 311 H ASN 41 HN ASN 41 -15.266 -6.073 -6.073 312 HA ASN 41 HA ASN 41 -17.817 -5.972 -5.972 313 1HB ASN 41 HB2 ASN 41 -16.405 -6.421 -6.421 314 2HB ASN 41 HB1 ASN 41 -16.190 -4.915 -4.915 315 1HD2 ASN 41 HD22 ASN 41 -12.817 -5.412 -5.412 316 2HD2 ASN 41 HD21 ASN 41 -14.171 -4.348 -4.348 317 H ARG 42 HN ARG 42 -15.325 -8.497 -8.497 318 HA ARG 42 HA ARG 42 -17.437 -10.377 -10.377 319 1HB ARG 42 HB1 ARG 42 -15.426 -10.112 -10.112 320 2HB ARG 42 HB2 ARG 42 -14.439 -10.736 -10.736 321 1HG ARG 42 HG2 ARG 42 -14.901 -12.470 -12.470 322 2HG ARG 42 HG1 ARG 42 -15.669 -12.848 -12.848 323 1HD ARG 42 HD1 ARG 42 -17.793 -11.926 -11.926 324 2HD ARG 42 HD2 ARG 42 -17.004 -11.701 -11.701 325 HE ARG 42 HE ARG 42 -16.622 -14.343 -14.343 326 1HH1 ARG 42 HH11 ARG 42 -19.378 -12.244 -12.244 327 2HH1 ARG 42 HH12 ARG 42 -20.432 -13.509 -13.509 328 1HH2 ARG 42 HH21 ARG 42 -18.001 -16.014 -16.014 329 2HH2 ARG 42 HH22 ARG 42 -19.649 -15.652 -15.652 330 H PHE 43 HN PHE 43 -17.541 -9.770 -9.770 331 HA PHE 43 HA PHE 43 -17.255 -10.553 -10.553 332 1HB PHE 43 HB2 PHE 43 -19.061 -11.931 -11.931 333 2HB PHE 43 HB1 PHE 43 -17.974 -12.996 -12.996 334 HD1 PHE 43 HD2 PHE 43 -18.166 -11.687 -11.687 335 HD2 PHE 43 HD1 PHE 43 -17.781 -15.075 -15.075 336 HE1 PHE 43 HE2 PHE 43 -18.006 -13.156 -13.156 337 HE2 PHE 43 HE1 PHE 43 -17.621 -16.551 -16.551 338 HZ PHE 43 HZ PHE 43 -17.732 -15.590 -15.590 339 H GLY 44 HN GLY 44 -14.821 -10.055 -10.055 340 1HA GLY 44 HA1 GLY 44 -13.312 -12.077 -12.077 341 2HA GLY 44 HA2 GLY 44 -12.957 -12.078 -12.078 342 H LYS 45 HN LYS 45 -12.546 -9.758 -9.758 343 HA LYS 45 HA LYS 45 -10.401 -8.663 -8.663 344 1HB LYS 45 HB1 LYS 45 -11.258 -7.649 -7.649 345 2HB LYS 45 HB2 LYS 45 -9.673 -7.546 -7.546 346 1HG LYS 45 HG1 LYS 45 -9.338 -9.919 -9.919 347 2HG LYS 45 HG2 LYS 45 -10.971 -10.099 -10.099 348 1HD LYS 45 HD1 LYS 45 -9.790 -9.995 -9.995 349 2HD LYS 45 HD2 LYS 45 -10.120 -8.278 -8.278 350 1HE LYS 45 HE2 LYS 45 -7.817 -8.489 -8.489 351 2HE LYS 45 HE1 LYS 45 -7.904 -8.098 -8.098 352 1HZ LYS 45 HZ3 LYS 45 -7.730 -10.573 -10.573 353 2HZ LYS 45 HZ2 LYS 45 -7.294 -10.712 -10.712 354 3HZ LYS 45 HZ1 LYS 45 -6.334 -9.807 -9.807 355 H THR 46 HN THR 46 -10.260 -6.531 -6.531 356 HA THR 46 HA THR 46 -12.840 -5.236 -5.236 357 HB THR 46 HB THR 46 -11.344 -3.711 -3.711 358 HG1 THR 46 HG1 THR 46 -9.650 -5.969 -5.969 359 1HG2 THR 46 HG21 THR 46 -12.852 -5.774 -5.774 360 2HG2 THR 46 HG23 THR 46 -11.282 -6.474 -6.474 361 3HG2 THR 46 HG22 THR 46 -11.797 -4.972 -4.972 362 H ALA 47 HN ALA 47 -12.435 -2.659 -2.659 363 HA ALA 47 HA ALA 47 -12.095 -1.800 -1.800 364 1HB ALA 47 HB1 ALA 47 -13.700 -0.827 -0.827 365 2HB ALA 47 HB3 ALA 47 -12.311 -0.014 -0.014 366 3HB ALA 47 HB2 ALA 47 -12.773 0.341 0.341 367 H LEU 48 HN LEU 48 -10.141 -1.626 -1.626 368 HA LEU 48 HA LEU 48 -8.196 0.166 0.166 369 1HB LEU 48 HB1 LEU 48 -8.630 -1.342 -1.342 370 2HB LEU 48 HB2 LEU 48 -6.945 -1.384 -1.384 371 HG LEU 48 HG LEU 48 -8.284 1.268 1.268 372 1HD1 LEU 48 HD11 LEU 48 -9.020 0.068 0.068 373 2HD1 LEU 48 HD13 LEU 48 -7.321 0.041 0.041 374 3HD1 LEU 48 HD12 LEU 48 -8.146 1.582 1.582 375 1HD2 LEU 48 HD21 LEU 48 -5.620 0.164 0.164 376 2HD2 LEU 48 HD23 LEU 48 -6.158 1.803 1.803 377 3HD2 LEU 48 HD22 LEU 48 -5.832 1.333 1.333 378 H GLN 49 HN GLN 49 -8.610 -3.305 -3.305 379 HA GLN 49 HA GLN 49 -5.972 -3.942 -3.942 380 1HB GLN 49 HB2 GLN 49 -7.327 -5.657 -5.657 381 2HB GLN 49 HB1 GLN 49 -8.578 -5.452 -5.452 382 1HG GLN 49 HG1 GLN 49 -7.577 -6.850 -6.850 383 2HG GLN 49 HG2 GLN 49 -6.010 -6.072 -6.072 384 1HE2 GLN 49 HE22 GLN 49 -5.545 -9.480 -9.480 385 2HE2 GLN 49 HE21 GLN 49 -5.808 -8.627 -8.627 386 H VAL 50 HN VAL 50 -8.615 -2.516 -2.516 387 HA VAL 50 HA VAL 50 -7.529 -3.206 -3.206 388 HB VAL 50 HB VAL 50 -9.773 -2.225 -2.225 389 1HG1 VAL 50 HG11 VAL 50 -9.087 -4.842 -4.842 390 2HG1 VAL 50 HG13 VAL 50 -10.825 -4.539 -4.539 391 3HG1 VAL 50 HG12 VAL 50 -9.914 -4.408 -4.408 392 1HG2 VAL 50 HG23 VAL 50 -10.450 -2.765 -2.765 393 2HG2 VAL 50 HG22 VAL 50 -10.433 -1.188 -1.188 394 3HG2 VAL 50 HG21 VAL 50 -11.612 -2.405 -2.405 395 H MET 51 HN MET 51 -8.118 -0.652 -0.652 396 HA MET 51 HA MET 51 -8.336 1.640 1.640 397 1HB MET 51 HB2 MET 51 -7.831 1.253 1.253 398 2HB MET 51 HB1 MET 51 -6.144 1.417 1.417 399 1HG MET 51 HG2 MET 51 -6.714 3.636 3.636 400 2HG MET 51 HG1 MET 51 -8.322 3.467 3.467 401 1HE MET 51 HE2 MET 51 -4.828 2.667 2.667 402 2HE MET 51 HE1 MET 51 -4.303 4.080 4.080 403 3HE MET 51 HE3 MET 51 -4.831 2.626 2.626 404 H MET 52 HN MET 52 -7.357 2.570 2.570 405 HA MET 52 HA MET 52 -4.802 1.534 1.534 406 1HB MET 52 HB1 MET 52 -5.267 2.537 2.537 407 2HB MET 52 HB2 MET 52 -6.838 1.998 1.998 408 1HG MET 52 HG2 MET 52 -7.599 4.046 4.046 409 2HG MET 52 HG1 MET 52 -6.519 4.599 4.599 410 1HE MET 52 HE1 MET 52 -7.239 6.741 6.741 411 2HE MET 52 HE3 MET 52 -6.301 7.204 7.204 412 3HE MET 52 HE2 MET 52 -7.596 6.015 6.015 413 H PHE 53 HN PHE 53 -5.213 3.362 3.362 414 HA PHE 53 HA PHE 53 -4.356 5.295 5.295 415 1HB PHE 53 HB2 PHE 53 -1.919 4.382 4.382 416 2HB PHE 53 HB1 PHE 53 -1.943 5.337 5.337 417 HD1 PHE 53 HD1 PHE 53 -3.364 2.086 2.086 418 HD2 PHE 53 HD2 PHE 53 -1.373 4.222 4.222 419 HE1 PHE 53 HE1 PHE 53 -3.243 0.021 0.021 420 HE2 PHE 53 HE2 PHE 53 -1.249 2.158 2.158 421 HZ PHE 53 HZ PHE 53 -2.206 0.050 0.050 422 H GLY 54 HN GLY 54 -5.658 5.704 5.704 423 1HA GLY 54 HA2 GLY 54 -4.094 7.508 7.508 424 2HA GLY 54 HA1 GLY 54 -5.835 7.286 7.286 425 H SER 55 HN SER 55 -6.622 7.965 7.965 426 HA SER 55 HA SER 55 -5.933 10.825 10.825 427 1HB SER 55 HB1 SER 55 -8.460 9.337 9.337 428 2HB SER 55 HB2 SER 55 -8.163 10.978 10.978 429 HG SER 55 HG SER 55 -7.715 11.368 11.368 430 HA PRO 56 HA PRO 56 -4.059 10.062 10.062 431 1HB PRO 56 HB1 PRO 56 -3.856 12.631 12.631 432 2HB PRO 56 HB2 PRO 56 -2.813 11.950 11.950 433 1HG PRO 56 HG1 PRO 56 -5.266 13.645 13.645 434 2HG PRO 56 HG2 PRO 56 -3.718 13.761 13.761 435 1HD PRO 56 HD1 PRO 56 -5.904 12.584 12.584 436 2HD PRO 56 HD2 PRO 56 -4.252 12.048 12.048 437 H ALA 57 HN ALA 57 -6.861 12.223 12.223 438 HA ALA 57 HA ALA 57 -7.524 12.226 12.226 439 1HB ALA 57 HB1 ALA 57 -8.440 13.551 13.551 440 2HB ALA 57 HB3 ALA 57 -9.773 12.437 12.437 441 3HB ALA 57 HB2 ALA 57 -9.242 13.541 13.541 442 H VAL 58 HN VAL 58 -8.369 10.033 10.033 443 HA VAL 58 HA VAL 58 -10.400 8.612 8.612 444 HB VAL 58 HB VAL 58 -10.129 6.946 6.946 445 1HG1 VAL 58 HG22 VAL 58 -9.386 9.625 9.625 446 2HG1 VAL 58 HG21 VAL 58 -10.029 8.265 8.265 447 3HG1 VAL 58 HG23 VAL 58 -11.017 9.035 9.035 448 1HG2 VAL 58 HG13 VAL 58 -7.351 7.595 7.595 449 2HG2 VAL 58 HG12 VAL 58 -8.107 6.187 6.187 450 3HG2 VAL 58 HG11 VAL 58 -7.842 7.652 7.652 451 H ALA 59 HN ALA 59 -6.934 8.477 8.477 452 HA ALA 59 HA ALA 59 -6.660 5.912 5.912 453 1HB ALA 59 HB2 ALA 59 -4.993 8.328 8.328 454 2HB ALA 59 HB1 ALA 59 -4.590 7.247 7.247 455 3HB ALA 59 HB3 ALA 59 -4.600 6.639 6.639 456 H LEU 60 HN LEU 60 -6.602 9.075 9.075 457 HA LEU 60 HA LEU 60 -6.758 8.020 8.020 458 1HB LEU 60 HB2 LEU 60 -5.955 10.251 10.251 459 2HB LEU 60 HB1 LEU 60 -7.460 10.736 10.736 460 HG LEU 60 HG LEU 60 -7.015 11.489 11.489 461 1HD1 LEU 60 HD12 LEU 60 -9.327 10.970 10.970 462 2HD1 LEU 60 HD11 LEU 60 -9.607 10.204 10.204 463 3HD1 LEU 60 HD13 LEU 60 -9.196 11.917 11.917 464 1HD2 LEU 60 HD23 LEU 60 -6.646 8.785 8.785 465 2HD2 LEU 60 HD22 LEU 60 -6.880 10.002 10.002 466 3HD2 LEU 60 HD21 LEU 60 -8.258 9.084 9.084 467 H GLU 61 HN GLU 61 -9.251 9.143 9.143 468 HA GLU 61 HA GLU 61 -11.426 9.001 9.001 469 1HB GLU 61 HB2 GLU 61 -11.026 9.330 9.330 470 2HB GLU 61 HB1 GLU 61 -12.459 8.375 8.375 471 1HG GLU 61 HG1 GLU 61 -13.286 10.523 10.523 472 2HG GLU 61 HG2 GLU 61 -13.024 10.268 10.268 473 H LEU 62 HN LEU 62 -9.961 6.602 6.602 474 HA LEU 62 HA LEU 62 -11.879 4.572 4.572 475 1HB LEU 62 HB1 LEU 62 -9.071 4.685 4.685 476 2HB LEU 62 HB2 LEU 62 -9.707 3.117 3.117 477 HG LEU 62 HG LEU 62 -10.613 4.930 4.930 478 1HD1 LEU 62 HD13 LEU 62 -8.944 2.724 2.724 479 2HD1 LEU 62 HD12 LEU 62 -10.473 2.081 2.081 480 3HD1 LEU 62 HD11 LEU 62 -9.684 3.413 3.413 481 1HD2 LEU 62 HD23 LEU 62 -12.228 3.044 3.044 482 2HD2 LEU 62 HD22 LEU 62 -12.722 4.432 4.432 483 3HD2 LEU 62 HD21 LEU 62 -12.360 2.894 2.894 484 H LEU 63 HN LEU 63 -8.594 4.777 4.777 485 HA LEU 63 HA LEU 63 -9.022 2.782 2.782 486 1HB LEU 63 HB2 LEU 63 -6.786 3.289 3.289 487 2HB LEU 63 HB1 LEU 63 -6.997 4.992 4.992 488 HG LEU 63 HG LEU 63 -7.301 4.311 4.311 489 1HD1 LEU 63 HD21 LEU 63 -7.507 1.797 1.797 490 2HD1 LEU 63 HD23 LEU 63 -5.805 1.832 1.832 491 3HD1 LEU 63 HD22 LEU 63 -7.049 2.189 2.189 492 1HD2 LEU 63 HD12 LEU 63 -5.043 4.871 4.871 493 2HD2 LEU 63 HD11 LEU 63 -5.166 4.878 4.878 494 3HD2 LEU 63 HD13 LEU 63 -4.593 3.436 3.436 495 H LYS 64 HN LYS 64 -10.106 5.988 5.988 496 HA LYS 64 HA LYS 64 -10.098 6.719 6.719 497 1HB LYS 64 HB2 LYS 64 -10.515 8.446 8.446 498 2HB LYS 64 HB1 LYS 64 -11.791 7.542 7.542 499 1HG LYS 64 HG1 LYS 64 -12.914 9.182 9.182 500 2HG LYS 64 HG2 LYS 64 -13.066 7.736 7.736 501 1HD LYS 64 HD2 LYS 64 -12.384 9.150 9.150 502 2HD LYS 64 HD1 LYS 64 -10.787 8.735 8.735 503 1HE LYS 64 HE2 LYS 64 -11.486 10.783 10.783 504 2HE LYS 64 HE1 LYS 64 -12.278 11.263 11.263 505 1HZ LYS 64 HZ1 LYS 64 -9.438 10.440 10.440 506 2HZ LYS 64 HZ3 LYS 64 -9.910 12.041 12.041 507 3HZ LYS 64 HZ2 LYS 64 -10.251 11.311 11.311 508 H GLN 65 HN GLN 65 -12.344 4.810 4.810 509 HA GLN 65 HA GLN 65 -14.416 4.704 4.704 510 1HB GLN 65 HB1 GLN 65 -13.962 3.705 3.705 511 2HB GLN 65 HB2 GLN 65 -14.409 2.339 2.339 512 1HG GLN 65 HG1 GLN 65 -15.986 4.895 4.895 513 2HG GLN 65 HG2 GLN 65 -16.314 3.464 3.464 514 1HE2 GLN 65 HE22 GLN 65 -18.610 3.242 3.242 515 2HE2 GLN 65 HE21 GLN 65 -18.366 4.200 4.200 516 H GLY 66 HN GLY 66 -11.353 3.265 3.265 517 1HA GLY 66 HA2 GLY 66 -10.482 2.131 2.131 518 2HA GLY 66 HA1 GLY 66 -12.093 1.508 1.508 519 H ALA 67 HN ALA 67 -10.505 1.491 1.491 520 HA ALA 67 HA ALA 67 -10.992 -1.309 -1.309 521 1HB ALA 67 HB3 ALA 67 -9.595 0.749 0.749 522 2HB ALA 67 HB2 ALA 67 -9.646 -0.955 -0.955 523 3HB ALA 67 HB1 ALA 67 -11.145 -0.041 -0.041 524 H SER 68 HN SER 68 -8.984 -2.552 -2.552 525 HA SER 68 HA SER 68 -6.739 -2.316 -2.316 526 1HB SER 68 HB1 SER 68 -7.910 -4.285 -4.285 527 2HB SER 68 HB2 SER 68 -8.125 -4.787 -4.787 528 HG SER 68 HG SER 68 -6.160 -5.579 -5.579 529 HA PRO 69 HA PRO 69 -4.866 -1.522 -1.522 530 1HB PRO 69 HB2 PRO 69 -2.618 -0.951 -0.951 531 2HB PRO 69 HB1 PRO 69 -3.214 -0.004 -0.004 532 1HG PRO 69 HG2 PRO 69 -3.730 0.745 0.745 533 2HG PRO 69 HG1 PRO 69 -4.950 0.921 0.921 534 1HD PRO 69 HD1 PRO 69 -4.764 -1.109 -1.109 535 2HD PRO 69 HD2 PRO 69 -6.199 -0.330 -0.330 536 H ASN 70 HN ASN 70 -4.068 -3.628 -3.628 537 HA ASN 70 HA ASN 70 -1.977 -4.978 -4.978 538 1HB ASN 70 HB1 ASN 70 -2.873 -6.037 -6.037 539 2HB ASN 70 HB2 ASN 70 -1.246 -5.883 -5.883 540 1HD2 ASN 70 HD22 ASN 70 -1.735 -3.487 -3.487 541 2HD2 ASN 70 HD21 ASN 70 -1.926 -5.194 -5.194 542 H VAL 71 HN VAL 71 -3.903 -5.423 -5.423 543 HA VAL 71 HA VAL 71 -5.339 -7.849 -7.849 544 HB VAL 71 HB VAL 71 -6.628 -7.408 -7.408 545 1HG1 VAL 71 HG21 VAL 71 -6.797 -5.835 -5.835 546 2HG1 VAL 71 HG23 VAL 71 -7.905 -5.474 -5.474 547 3HG1 VAL 71 HG22 VAL 71 -7.871 -7.089 -7.089 548 1HG2 VAL 71 HG13 VAL 71 -4.839 -5.678 -5.678 549 2HG2 VAL 71 HG12 VAL 71 -6.535 -5.315 -5.315 550 3HG2 VAL 71 HG11 VAL 71 -5.718 -4.581 -4.581 551 H GLN 72 HN GLN 72 -5.288 -9.719 -9.719 552 HA GLN 72 HA GLN 72 -3.473 -9.799 -9.799 553 1HB GLN 72 HB2 GLN 72 -3.221 -11.901 -11.901 554 2HB GLN 72 HB1 GLN 72 -2.095 -11.496 -11.496 555 1HG GLN 72 HG2 GLN 72 -1.384 -9.536 -9.536 556 2HG GLN 72 HG1 GLN 72 -2.711 -9.623 -9.623 557 1HE2 GLN 72 HE22 GLN 72 0.581 -10.905 -10.905 558 2HE2 GLN 72 HE21 GLN 72 0.193 -9.515 -9.515 559 H ASP 73 HN ASP 73 -3.942 -11.383 -11.383 560 HA ASP 73 HA ASP 73 -6.440 -12.864 -12.864 561 1HB ASP 73 HB2 ASP 73 -6.653 -12.912 -12.912 562 2HB ASP 73 HB1 ASP 73 -6.663 -11.282 -11.282 563 H ALA 74 HN ALA 74 -6.372 -14.701 -14.701 564 HA ALA 74 HA ALA 74 -4.744 -16.731 -16.731 565 1HB ALA 74 HB1 ALA 74 -6.909 -16.682 -16.682 566 2HB ALA 74 HB3 ALA 74 -5.632 -17.125 -17.125 567 3HB ALA 74 HB2 ALA 74 -5.917 -18.107 -18.107 568 H SER 75 HN SER 75 -2.726 -15.340 -15.340 569 HA SER 75 HA SER 75 -0.903 -16.419 -16.419 570 1HB SER 75 HB2 SER 75 -0.579 -13.898 -13.898 571 2HB SER 75 HB1 SER 75 -1.344 -15.259 -15.259 572 HG SER 75 HG SER 75 -3.154 -14.216 -14.216 573 H GLY 76 HN GLY 76 -1.502 -13.168 -13.168 574 1HA GLY 76 HA2 GLY 76 -0.357 -12.690 -12.690 575 2HA GLY 76 HA1 GLY 76 1.063 -13.441 -13.441 576 H THR 77 HN THR 77 -1.164 -10.707 -10.707 577 HA THR 77 HA THR 77 0.998 -8.900 -8.900 578 HB THR 77 HB THR 77 -0.716 -8.540 -8.540 579 HG1 THR 77 HG1 THR 77 0.719 -10.950 -10.950 580 1HG2 THR 77 HG22 THR 77 1.726 -7.823 -7.823 581 2HG2 THR 77 HG21 THR 77 2.123 -9.438 -9.438 582 3HG2 THR 77 HG23 THR 77 1.238 -8.319 -8.319 583 H SER 78 HN SER 78 0.437 -6.871 -6.871 584 HA SER 78 HA SER 78 -2.420 -6.374 -6.374 585 1HB SER 78 HB2 SER 78 -0.592 -4.574 -4.574 586 2HB SER 78 HB1 SER 78 -1.882 -5.582 -5.582 587 HG SER 78 HG SER 78 0.165 -6.204 -6.204 588 HA PRO 79 HA PRO 79 -2.606 -2.639 -2.639 589 1HB PRO 79 HB1 PRO 79 -2.575 -0.848 -0.848 590 2HB PRO 79 HB2 PRO 79 -3.815 -1.054 -1.054 591 1HG PRO 79 HG2 PRO 79 -4.166 -1.992 -1.992 592 2HG PRO 79 HG1 PRO 79 -4.765 -2.877 -2.877 593 1HD PRO 79 HD2 PRO 79 -2.329 -3.384 -3.384 594 2HD PRO 79 HD1 PRO 79 -3.478 -4.545 -4.545 595 H VAL 80 HN VAL 80 -0.372 -2.234 -2.234 596 HA VAL 80 HA VAL 80 1.152 -0.146 -0.146 597 HB VAL 80 HB VAL 80 2.966 -1.078 -1.078 598 1HG1 VAL 80 HG21 VAL 80 1.087 0.586 0.586 599 2HG1 VAL 80 HG23 VAL 80 0.385 -0.763 -0.763 600 3HG1 VAL 80 HG22 VAL 80 1.988 -0.162 -0.162 601 1HG2 VAL 80 HG11 VAL 80 1.417 -3.383 -3.383 602 2HG2 VAL 80 HG13 VAL 80 2.805 -3.104 -3.104 603 3HG2 VAL 80 HG12 VAL 80 1.174 -2.776 -2.776 604 H HIS 81 HN HIS 81 1.171 -3.564 -3.564 605 HA HIS 81 HA HIS 81 3.735 -3.803 -3.803 606 1HB HIS 81 HB2 HIS 81 1.227 -5.376 -5.376 607 2HB HIS 81 HB1 HIS 81 2.339 -5.668 -5.668 608 HD2 HIS 81 HD2 HIS 81 5.052 -6.306 -6.306 609 HE1 HIS 81 HE1 HIS 81 3.398 -8.106 -8.106 610 HE2 HIS 81 HE2 HIS 81 5.519 -7.730 -7.730 611 H ASP 82 HN ASP 82 0.649 -3.751 -3.751 612 HA ASP 82 HA ASP 82 1.786 -3.238 -3.238 613 1HB ASP 82 HB1 ASP 82 -0.749 -3.754 -3.754 614 2HB ASP 82 HB2 ASP 82 -0.888 -2.093 -2.093 615 H ALA 83 HN ALA 83 0.475 -1.000 -1.000 616 HA ALA 83 HA ALA 83 0.593 1.367 1.367 617 1HB ALA 83 HB3 ALA 83 -0.008 0.696 0.696 618 2HB ALA 83 HB2 ALA 83 1.489 1.602 1.602 619 3HB ALA 83 HB1 ALA 83 0.118 2.348 2.348 620 H ALA 84 HN ALA 84 3.186 -0.517 -0.517 621 HA ALA 84 HA ALA 84 5.170 1.535 1.535 622 1HB ALA 84 HB1 ALA 84 5.030 -0.893 -0.893 623 2HB ALA 84 HB3 ALA 84 6.095 -1.245 -1.245 624 3HB ALA 84 HB2 ALA 84 6.517 0.030 0.030 625 H ARG 85 HN ARG 85 4.639 -1.374 -1.374 626 HA ARG 85 HA ARG 85 6.542 -0.575 -0.575 627 1HB ARG 85 HB2 ARG 85 4.358 -2.648 -2.648 628 2HB ARG 85 HB1 ARG 85 5.795 -2.516 -2.516 629 1HG ARG 85 HG2 ARG 85 6.782 -2.676 -2.676 630 2HG ARG 85 HG1 ARG 85 5.436 -3.818 -3.818 631 1HD ARG 85 HD2 ARG 85 6.722 -4.281 -4.281 632 2HD ARG 85 HD1 ARG 85 8.051 -3.967 -3.967 633 HE ARG 85 HE ARG 85 6.165 -5.799 -5.799 634 1HH1 ARG 85 HH11 ARG 85 8.826 -5.526 -5.526 635 2HH1 ARG 85 HH12 ARG 85 9.292 -7.188 -7.188 636 1HH2 ARG 85 HH21 ARG 85 6.768 -7.991 -7.991 637 2HH2 ARG 85 HH22 ARG 85 8.121 -8.589 -8.589 638 H THR 86 HN THR 86 3.181 0.080 0.080 639 HA THR 86 HA THR 86 2.525 0.644 0.644 640 HB THR 86 HB THR 86 0.526 1.755 1.755 641 HG1 THR 86 HG1 THR 86 1.915 1.330 1.330 642 1HG2 THR 86 HG22 THR 86 1.296 -0.986 -0.986 643 2HG2 THR 86 HG21 THR 86 0.031 -0.328 -0.328 644 3HG2 THR 86 HG23 THR 86 -0.189 -0.353 -0.353 645 H GLY 87 HN GLY 87 3.099 2.815 2.815 646 1HA GLY 87 HA1 GLY 87 4.654 4.678 4.678 647 2HA GLY 87 HA2 GLY 87 4.040 4.834 4.834 648 H PHE 88 HN PHE 88 2.882 4.890 4.890 649 HA PHE 88 HA PHE 88 1.376 7.318 7.318 650 1HB PHE 88 HB2 PHE 88 0.223 4.790 4.790 651 2HB PHE 88 HB1 PHE 88 -0.546 6.359 6.359 652 HD1 PHE 88 HD2 PHE 88 -0.336 7.660 7.660 653 HD2 PHE 88 HD1 PHE 88 -1.006 3.535 3.535 654 HE1 PHE 88 HE2 PHE 88 -1.467 7.402 7.402 655 HE2 PHE 88 HE1 PHE 88 -2.138 3.269 3.269 656 HZ PHE 88 HZ PHE 88 -2.369 5.204 5.204 657 H LEU 89 HN LEU 89 3.683 7.469 7.469 658 HA LEU 89 HA LEU 89 3.854 7.036 7.036 659 1HB LEU 89 HB1 LEU 89 5.332 8.406 8.406 660 2HB LEU 89 HB2 LEU 89 4.996 9.597 9.597 661 HG LEU 89 HG LEU 89 6.482 6.994 6.994 662 1HD1 LEU 89 HD12 LEU 89 7.173 9.851 9.851 663 2HD1 LEU 89 HD11 LEU 89 7.980 8.917 8.917 664 3HD1 LEU 89 HD13 LEU 89 8.129 8.432 8.432 665 1HD2 LEU 89 HD22 LEU 89 5.142 8.683 8.683 666 2HD2 LEU 89 HD21 LEU 89 5.321 6.930 6.930 667 3HD2 LEU 89 HD23 LEU 89 6.693 7.937 7.937 668 H ASP 90 HN ASP 90 2.084 9.518 9.518 669 HA ASP 90 HA ASP 90 1.678 11.324 11.324 670 1HB ASP 90 HB2 ASP 90 -0.582 11.705 11.705 671 2HB ASP 90 HB1 ASP 90 0.967 12.227 12.227 672 H THR 91 HN THR 91 -0.805 9.088 9.088 673 HA THR 91 HA THR 91 -2.355 9.226 9.226 674 HB THR 91 HB THR 91 -2.373 7.174 7.174 675 HG1 THR 91 HG1 THR 91 -2.892 9.232 9.232 676 1HG2 THR 91 HG23 THR 91 -4.333 7.673 7.673 677 2HG2 THR 91 HG22 THR 91 -4.763 6.854 6.854 678 3HG2 THR 91 HG21 THR 91 -3.537 6.162 6.162 679 H LEU 92 HN LEU 92 0.110 6.985 6.985 680 HA LEU 92 HA LEU 92 -0.212 4.914 4.914 681 1HB LEU 92 HB1 LEU 92 1.427 5.083 5.083 682 2HB LEU 92 HB2 LEU 92 2.471 5.987 5.987 683 HG LEU 92 HG LEU 92 2.822 4.112 4.112 684 1HD1 LEU 92 HD23 LEU 92 0.469 2.931 2.931 685 2HD1 LEU 92 HD22 LEU 92 1.614 1.924 1.924 686 3HD1 LEU 92 HD21 LEU 92 0.703 3.176 3.176 687 1HD2 LEU 92 HD12 LEU 92 3.974 4.121 4.121 688 2HD2 LEU 92 HD11 LEU 92 3.850 2.545 2.545 689 3HD2 LEU 92 HD13 LEU 92 2.763 2.959 2.959 690 H LYS 93 HN LYS 93 1.718 7.876 7.876 691 HA LYS 93 HA LYS 93 2.744 7.408 7.408 692 1HB LYS 93 HB2 LYS 93 2.735 9.527 9.527 693 2HB LYS 93 HB1 LYS 93 1.944 10.185 10.185 694 1HG LYS 93 HG1 LYS 93 4.106 10.679 10.679 695 2HG LYS 93 HG2 LYS 93 3.994 9.080 9.080 696 1HD LYS 93 HD2 LYS 93 5.864 8.692 8.692 697 2HD LYS 93 HD1 LYS 93 4.713 8.394 8.394 698 1HE LYS 93 HE2 LYS 93 6.644 9.932 9.932 699 2HE LYS 93 HE1 LYS 93 5.032 10.545 10.545 700 1HZ LYS 93 HZ3 LYS 93 6.085 11.186 11.186 701 2HZ LYS 93 HZ2 LYS 93 6.849 11.942 11.942 702 3HZ LYS 93 HZ1 LYS 93 5.186 12.140 12.140 703 H VAL 94 HN VAL 94 -0.380 8.791 8.791 704 HA VAL 94 HA VAL 94 -1.294 9.614 9.614 705 HB VAL 94 HB VAL 94 -3.013 8.280 8.280 706 1HG1 VAL 94 HG22 VAL 94 -3.604 9.436 9.436 707 2HG1 VAL 94 HG21 VAL 94 -4.218 10.526 10.526 708 3HG1 VAL 94 HG23 VAL 94 -4.728 8.839 8.839 709 1HG2 VAL 94 HG11 VAL 94 -1.697 10.947 10.947 710 2HG2 VAL 94 HG13 VAL 94 -2.009 9.876 9.876 711 3HG2 VAL 94 HG12 VAL 94 -3.323 10.830 10.830 712 H LEU 95 HN LEU 95 -1.982 6.448 6.448 713 HA LEU 95 HA LEU 95 -3.076 5.359 5.359 714 1HB LEU 95 HB1 LEU 95 -3.131 3.249 3.249 715 2HB LEU 95 HB2 LEU 95 -3.740 4.553 4.553 716 HG LEU 95 HG LEU 95 -1.109 4.503 4.503 717 1HD1 LEU 95 HD22 LEU 95 -1.749 1.928 1.928 718 2HD1 LEU 95 HD21 LEU 95 -1.187 1.800 1.800 719 3HD1 LEU 95 HD23 LEU 95 -0.189 2.609 2.609 720 1HD2 LEU 95 HD13 LEU 95 -3.510 4.237 4.237 721 2HD2 LEU 95 HD12 LEU 95 -1.956 4.068 4.068 722 3HD2 LEU 95 HD11 LEU 95 -2.823 2.635 2.635 723 H VAL 96 HN VAL 96 0.072 5.119 5.119 724 HA VAL 96 HA VAL 96 1.163 3.191 3.191 725 HB VAL 96 HB VAL 96 2.251 5.019 5.019 726 1HG1 VAL 96 HG21 VAL 96 3.821 5.410 5.410 727 2HG1 VAL 96 HG23 VAL 96 4.040 3.671 3.671 728 3HG1 VAL 96 HG22 VAL 96 4.572 4.469 4.469 729 1HG2 VAL 96 HG13 VAL 96 1.929 2.160 2.160 730 2HG2 VAL 96 HG12 VAL 96 1.940 3.054 3.054 731 3HG2 VAL 96 HG11 VAL 96 3.462 2.599 2.599 732 H GLU 97 HN GLU 97 1.698 6.706 6.706 733 HA GLU 97 HA GLU 97 3.299 7.002 7.002 734 1HB GLU 97 HB2 GLU 97 2.875 9.300 9.300 735 2HB GLU 97 HB1 GLU 97 2.581 8.741 8.741 736 1HG GLU 97 HG1 GLU 97 0.588 9.688 9.688 737 2HG GLU 97 HG2 GLU 97 0.127 8.541 8.541 738 H HIS 98 HN HIS 98 -0.147 6.533 6.533 739 HA HIS 98 HA HIS 98 -0.876 7.425 7.425 740 1HB HIS 98 HB1 HIS 98 -2.304 6.576 6.576 741 2HB HIS 98 HB2 HIS 98 -2.226 5.042 5.042 742 HD2 HIS 98 HD2 HIS 98 -4.710 7.591 7.591 743 HE1 HIS 98 HE1 HIS 98 -4.752 6.734 6.734 744 HE2 HIS 98 HE2 HIS 98 -6.087 7.661 7.661 745 H GLY 99 HN GLY 99 0.584 4.435 4.435 746 1HA GLY 99 HA2 GLY 99 1.990 3.498 3.498 747 2HA GLY 99 HA1 GLY 99 0.444 3.388 3.388 748 H ALA 100 HN ALA 100 -0.373 2.800 2.800 749 HA ALA 100 HA ALA 100 -1.056 0.172 0.172 750 1HB ALA 100 HB3 ALA 100 -0.348 1.766 1.766 751 2HB ALA 100 HB2 ALA 100 -0.882 0.088 0.088 752 3HB ALA 100 HB1 ALA 100 -1.942 1.306 1.306 753 H ASP 101 HN ASP 101 -0.130 -1.808 -1.808 754 HA ASP 101 HA ASP 101 2.550 -2.194 -2.194 755 1HB ASP 101 HB2 ASP 101 1.637 -4.350 -4.350 756 2HB ASP 101 HB1 ASP 101 0.314 -3.829 -3.829 757 H VAL 102 HN VAL 102 4.393 -2.451 -2.451 758 HA VAL 102 HA VAL 102 4.218 -2.275 -2.275 759 HB VAL 102 HB VAL 102 6.330 -0.675 -0.675 760 1HG1 VAL 102 HG12 VAL 102 3.423 0.101 0.101 761 2HG1 VAL 102 HG11 VAL 102 4.734 1.255 1.255 762 3HG1 VAL 102 HG13 VAL 102 4.515 -0.082 -0.082 763 1HG2 VAL 102 HG21 VAL 102 4.586 -0.061 -0.061 764 2HG2 VAL 102 HG23 VAL 102 6.249 -0.646 -0.646 765 3HG2 VAL 102 HG22 VAL 102 5.893 0.960 0.960 766 H ASN 103 HN ASN 103 5.140 -4.126 -4.126 767 HA ASN 103 HA ASN 103 7.834 -4.694 -4.694 768 1HB ASN 103 HB2 ASN 103 6.818 -6.055 -6.055 769 2HB ASN 103 HB1 ASN 103 8.439 -5.479 -5.479 770 1HD2 ASN 103 HD22 ASN 103 8.080 -2.504 -2.504 771 2HD2 ASN 103 HD21 ASN 103 9.093 -3.641 -3.641 772 H ALA 104 HN ALA 104 4.867 -5.557 -5.557 773 HA ALA 104 HA ALA 104 5.087 -8.434 -8.434 774 1HB ALA 104 HB3 ALA 104 3.038 -6.486 -6.486 775 2HB ALA 104 HB2 ALA 104 2.996 -8.110 -8.110 776 3HB ALA 104 HB1 ALA 104 2.880 -7.888 -7.888 777 H LEU 105 HN LEU 105 5.675 -9.792 -9.792 778 HA LEU 105 HA LEU 105 6.704 -8.552 -8.552 779 1HB LEU 105 HB1 LEU 105 7.422 -11.345 -11.345 780 2HB LEU 105 HB2 LEU 105 8.410 -10.047 -10.047 781 HG LEU 105 HG LEU 105 7.592 -10.262 -10.262 782 1HD1 LEU 105 HD12 LEU 105 9.600 -11.698 -11.698 783 2HD1 LEU 105 HD11 LEU 105 10.340 -10.671 -10.671 784 3HD1 LEU 105 HD13 LEU 105 9.120 -11.858 -11.858 785 1HD2 LEU 105 HD22 LEU 105 9.231 -8.365 -8.365 786 2HD2 LEU 105 HD21 LEU 105 8.139 -8.061 -8.061 787 3HD2 LEU 105 HD23 LEU 105 9.742 -8.735 -8.735 788 H ASP 106 HN ASP 106 6.630 -10.017 -10.017 789 HA ASP 106 HA ASP 106 3.916 -10.976 -10.976 790 1HB ASP 106 HB1 ASP 106 4.444 -11.055 -11.055 791 2HB ASP 106 HB2 ASP 106 4.804 -9.478 -9.478 792 H SER 107 HN SER 107 4.114 -12.858 -12.858 793 HA SER 107 HA SER 107 4.562 -15.219 -15.219 794 1HB SER 107 HB1 SER 107 4.858 -15.355 -15.355 795 2HB SER 107 HB2 SER 107 3.805 -16.279 -16.279 796 HG SER 107 HG SER 107 2.493 -14.939 -14.939 797 H THR 108 HN THR 108 6.779 -13.163 -13.163 798 HA THR 108 HA THR 108 8.826 -15.219 -15.219 799 HB THR 108 HB THR 108 9.274 -12.292 -12.292 800 HG1 THR 108 HG1 THR 108 8.261 -14.037 -14.037 801 1HG2 THR 108 HG21 THR 108 10.557 -14.821 -14.821 802 2HG2 THR 108 HG23 THR 108 10.468 -13.539 -13.539 803 3HG2 THR 108 HG22 THR 108 11.263 -13.240 -13.240 804 H GLY 109 HN GLY 109 7.686 -13.144 -13.144 805 1HA GLY 109 HA2 GLY 109 8.460 -12.736 -12.736 806 2HA GLY 109 HA1 GLY 109 9.823 -13.788 -13.788 807 H SER 110 HN SER 110 8.828 -10.812 -10.812 808 HA SER 110 HA SER 110 11.402 -9.623 -9.623 809 1HB SER 110 HB1 SER 110 10.009 -9.709 -9.709 810 2HB SER 110 HB2 SER 110 10.932 -8.262 -8.262 811 HG SER 110 HG SER 110 11.951 -10.306 -10.306 812 H LEU 111 HN LEU 111 11.311 -7.763 -7.763 813 HA LEU 111 HA LEU 111 8.902 -6.638 -6.638 814 1HB LEU 111 HB1 LEU 111 11.724 -6.145 -6.145 815 2HB LEU 111 HB2 LEU 111 10.860 -4.629 -4.629 816 HG LEU 111 HG LEU 111 9.629 -6.529 -6.529 817 1HD1 LEU 111 HD12 LEU 111 12.408 -6.264 -6.264 818 2HD1 LEU 111 HD11 LEU 111 11.774 -5.196 -5.196 819 3HD1 LEU 111 HD13 LEU 111 11.337 -6.903 -6.903 820 1HD2 LEU 111 HD22 LEU 111 9.908 -3.666 -3.666 821 2HD2 LEU 111 HD21 LEU 111 8.630 -4.572 -4.572 822 3HD2 LEU 111 HD23 LEU 111 10.094 -4.130 -4.130 823 HA PRO 112 HA PRO 112 7.365 -4.035 -4.035 824 1HB PRO 112 HB2 PRO 112 7.259 -1.902 -1.902 825 2HB PRO 112 HB1 PRO 112 5.988 -2.482 -2.482 826 1HG PRO 112 HG1 PRO 112 6.002 -3.176 -3.176 827 2HG PRO 112 HG2 PRO 112 5.533 -4.338 -4.338 828 1HD PRO 112 HD2 PRO 112 8.074 -4.143 -4.143 829 2HD PRO 112 HD1 PRO 112 7.212 -5.582 -5.582 830 H ILE 113 HN ILE 113 9.903 -2.823 -2.823 831 HA ILE 113 HA ILE 113 10.662 -0.631 -0.631 832 HB ILE 113 HB ILE 113 11.254 -0.622 -0.622 833 1HG1 ILE 113 HG11 ILE 113 13.816 -0.933 -0.933 834 2HG1 ILE 113 HG12 ILE 113 12.756 0.463 0.463 835 1HG2 ILE 113 HG21 ILE 113 12.679 -3.166 -3.166 836 2HG2 ILE 113 HG23 ILE 113 13.157 -2.200 -2.200 837 3HG2 ILE 113 HG22 ILE 113 11.522 -2.854 -2.854 838 1HD1 ILE 113 HD12 ILE 113 13.705 -0.302 -0.302 839 2HD1 ILE 113 HD11 ILE 113 14.803 0.529 0.529 840 3HD1 ILE 113 HD13 ILE 113 13.277 1.283 1.283 841 H HIS 114 HN HIS 114 11.553 -4.011 -4.011 842 HA HIS 114 HA HIS 114 13.905 -3.916 -3.916 843 1HB HIS 114 HB1 HIS 114 11.876 -6.129 -6.129 844 2HB HIS 114 HB2 HIS 114 13.431 -6.340 -6.340 845 HD2 HIS 114 HD2 HIS 114 15.364 -4.851 -4.851 846 HE1 HIS 114 HE1 HIS 114 13.624 -7.489 -7.489 847 HE2 HIS 114 HE2 HIS 114 15.478 -5.808 -5.808 848 H LEU 115 HN LEU 115 10.515 -4.091 -4.091 849 HA LEU 115 HA LEU 115 11.014 -4.578 -4.578 850 1HB LEU 115 HB1 LEU 115 8.486 -3.255 -3.255 851 2HB LEU 115 HB2 LEU 115 8.776 -4.746 -4.746 852 HG LEU 115 HG LEU 115 8.679 -4.402 -4.402 853 1HD1 LEU 115 HD11 LEU 115 6.653 -4.795 -4.795 854 2HD1 LEU 115 HD13 LEU 115 6.934 -6.379 -6.379 855 3HD1 LEU 115 HD12 LEU 115 6.545 -4.997 -4.997 856 1HD2 LEU 115 HD22 LEU 115 9.595 -6.663 -6.663 857 2HD2 LEU 115 HD21 LEU 115 10.270 -6.053 -6.053 858 3HD2 LEU 115 HD23 LEU 115 8.782 -6.999 -6.999 859 H ALA 116 HN ALA 116 10.292 -1.708 -1.708 860 HA ALA 116 HA ALA 116 10.032 0.155 0.155 861 1HB ALA 116 HB1 ALA 116 9.959 0.262 0.262 862 2HB ALA 116 HB3 ALA 116 11.446 1.145 1.145 863 3HB ALA 116 HB2 ALA 116 9.920 1.667 1.667 864 H ILE 117 HN ILE 117 12.935 -1.078 -1.078 865 HA ILE 117 HA ILE 117 14.807 0.664 0.664 866 HB ILE 117 HB ILE 117 15.120 -2.208 -2.208 867 1HG1 ILE 117 HG12 ILE 117 16.023 0.334 0.334 868 2HG1 ILE 117 HG11 ILE 117 14.483 -0.450 -0.450 869 1HG2 ILE 117 HG22 ILE 117 16.827 -1.501 -1.501 870 2HG2 ILE 117 HG21 ILE 117 17.311 -0.218 -0.218 871 3HG2 ILE 117 HG23 ILE 117 17.494 -1.908 -1.908 872 1HD1 ILE 117 HD11 ILE 117 15.879 -2.529 -2.529 873 2HD1 ILE 117 HD13 ILE 117 17.251 -1.422 -1.422 874 3HD1 ILE 117 HD12 ILE 117 15.894 -1.203 -1.203 875 H ARG 118 HN ARG 118 13.466 -2.403 -2.403 876 HA ARG 118 HA ARG 118 15.105 -2.524 -2.524 877 1HB ARG 118 HB2 ARG 118 12.485 -3.933 -3.933 878 2HB ARG 118 HB1 ARG 118 14.052 -4.511 -4.511 879 1HG ARG 118 HG2 ARG 118 14.552 -4.197 -4.197 880 2HG ARG 118 HG1 ARG 118 12.835 -4.601 -4.601 881 1HD ARG 118 HD1 ARG 118 14.624 -6.240 -6.240 882 2HD ARG 118 HD2 ARG 118 14.710 -6.468 -6.468 883 HE ARG 118 HE ARG 118 12.091 -6.655 -6.655 884 1HH1 ARG 118 HH11 ARG 118 14.744 -8.064 -8.064 885 2HH1 ARG 118 HH12 ARG 118 13.847 -9.463 -9.463 886 1HH2 ARG 118 HH21 ARG 118 10.900 -8.493 -8.493 887 2HH2 ARG 118 HH22 ARG 118 11.662 -9.707 -9.707 888 H GLU 119 HN GLU 119 12.643 -0.470 -0.470 889 HA GLU 119 HA GLU 119 11.866 -0.125 -0.125 890 1HB GLU 119 HB1 GLU 119 10.200 0.911 0.911 891 2HB GLU 119 HB2 GLU 119 9.713 0.510 0.510 892 1HG GLU 119 HG2 GLU 119 10.734 -1.784 -1.784 893 2HG GLU 119 HG1 GLU 119 9.333 -1.040 -1.040 894 H GLY 120 HN GLY 120 12.478 1.595 1.595 895 1HA GLY 120 HA1 GLY 120 13.531 3.621 3.621 896 2HA GLY 120 HA2 GLY 120 13.886 3.684 3.684 897 H HIS 121 HN HIS 121 10.681 3.322 3.322 898 HA HIS 121 HA HIS 121 9.607 5.424 5.424 899 1HB HIS 121 HB2 HIS 121 8.593 3.638 3.638 900 2HB HIS 121 HB1 HIS 121 7.659 5.079 5.079 901 HD2 HIS 121 HD2 HIS 121 7.614 1.552 1.552 902 HE1 HIS 121 HE1 HIS 121 6.491 3.593 3.593 903 HE2 HIS 121 HE2 HIS 121 6.413 1.383 1.383 904 H SER 122 HN SER 122 10.923 7.243 7.243 905 HA SER 122 HA SER 122 11.482 9.158 9.158 906 1HB SER 122 HB2 SER 122 9.030 9.482 9.482 907 2HB SER 122 HB1 SER 122 8.769 8.794 8.794 908 HG SER 122 HG SER 122 8.837 11.064 11.064 909 H SER 123 HN SER 123 10.371 9.831 9.831 910 HA SER 123 HA SER 123 12.519 8.725 8.725 911 1HB SER 123 HB2 SER 123 10.174 10.461 10.461 912 2HB SER 123 HB1 SER 123 11.465 9.997 9.997 913 HG SER 123 HG SER 123 12.932 11.085 11.085 914 H VAL 124 HN VAL 124 9.812 7.217 7.217 915 HA VAL 124 HA VAL 124 8.570 6.180 6.180 916 HB VAL 124 HB VAL 124 9.162 4.872 4.872 917 1HG1 VAL 124 HG12 VAL 124 7.493 3.847 3.847 918 2HG1 VAL 124 HG11 VAL 124 7.389 3.231 3.231 919 3HG1 VAL 124 HG13 VAL 124 8.894 3.073 3.073 920 1HG2 VAL 124 HG21 VAL 124 7.522 6.921 6.921 921 2HG2 VAL 124 HG23 VAL 124 7.162 5.674 5.674 922 3HG2 VAL 124 HG22 VAL 124 6.429 5.598 5.598 923 H VAL 125 HN VAL 125 11.230 4.599 4.599 924 HA VAL 125 HA VAL 125 11.725 2.544 2.544 925 HB VAL 125 HB VAL 125 14.014 3.906 3.906 926 1HG1 VAL 125 HG13 VAL 125 14.280 1.848 1.848 927 2HG1 VAL 125 HG12 VAL 125 13.340 0.981 0.981 928 3HG1 VAL 125 HG11 VAL 125 14.884 1.711 1.711 929 1HG2 VAL 125 HG22 VAL 125 11.706 2.514 2.514 930 2HG2 VAL 125 HG21 VAL 125 12.520 4.005 4.005 931 3HG2 VAL 125 HG23 VAL 125 13.316 2.450 2.450 932 H SER 126 HN SER 126 12.800 5.882 5.882 933 HA SER 126 HA SER 126 14.644 5.597 5.597 934 1HB SER 126 HB2 SER 126 15.041 7.514 7.514 935 2HB SER 126 HB1 SER 126 13.326 7.901 7.901 936 HG SER 126 HG SER 126 13.377 8.883 8.883 937 H PHE 127 HN PHE 127 11.289 6.646 6.646 938 HA PHE 127 HA PHE 127 11.025 7.210 7.210 939 1HB PHE 127 HB1 PHE 127 9.467 8.250 8.250 940 2HB PHE 127 HB2 PHE 127 9.010 6.711 6.711 941 HD1 PHE 127 HD1 PHE 127 9.216 8.032 8.032 942 HD2 PHE 127 HD2 PHE 127 6.863 6.098 6.098 943 HE1 PHE 127 HE1 PHE 127 7.354 7.832 7.832 944 HE2 PHE 127 HE2 PHE 127 4.996 5.897 5.897 945 HZ PHE 127 HZ PHE 127 5.242 6.765 6.765 946 H LEU 128 HN LEU 128 10.798 4.324 4.324 947 HA LEU 128 HA LEU 128 9.334 2.779 2.779 948 1HB LEU 128 HB2 LEU 128 10.431 2.419 2.419 949 2HB LEU 128 HB1 LEU 128 10.882 1.062 1.062 950 HG LEU 128 HG LEU 128 8.798 0.657 0.657 951 1HD1 LEU 128 HD13 LEU 128 9.044 0.551 0.551 952 2HD1 LEU 128 HD12 LEU 128 7.393 0.425 0.425 953 3HD1 LEU 128 HD11 LEU 128 8.622 -0.714 -0.714 954 1HD2 LEU 128 HD22 LEU 128 7.992 2.969 2.969 955 2HD2 LEU 128 HD21 LEU 128 6.769 1.870 1.870 956 3HD2 LEU 128 HD23 LEU 128 7.681 2.907 2.907 957 H ALA 129 HN ALA 129 12.324 4.077 4.077 958 HA ALA 129 HA ALA 129 13.826 1.871 1.871 959 1HB ALA 129 HB2 ALA 129 14.205 4.808 4.808 960 2HB ALA 129 HB1 ALA 129 15.176 3.916 3.916 961 3HB ALA 129 HB3 ALA 129 15.254 3.498 3.498 962 HA PRO 130 HA PRO 130 13.050 3.652 3.652 963 1HB PRO 130 HB1 PRO 130 11.417 5.825 5.825 964 2HB PRO 130 HB2 PRO 130 13.169 5.938 5.938 965 1HG PRO 130 HG2 PRO 130 10.999 6.210 6.210 966 2HG PRO 130 HG1 PRO 130 12.462 7.189 7.189 967 1HD PRO 130 HD1 PRO 130 12.292 5.265 5.265 968 2HD PRO 130 HD2 PRO 130 13.812 5.628 5.628 969 H GLU 131 HN GLU 131 10.180 4.344 4.344 970 HA GLU 131 HA GLU 131 8.210 3.613 3.613 971 1HB GLU 131 HB2 GLU 131 6.748 3.622 3.622 972 2HB GLU 131 HB1 GLU 131 8.087 4.542 4.542 973 1HG GLU 131 HG2 GLU 131 8.888 2.588 2.588 974 2HG GLU 131 HG1 GLU 131 7.626 1.600 1.600 975 H SER 132 HN SER 132 10.262 1.576 1.576 976 HA SER 132 HA SER 132 8.948 -0.806 -0.806 977 1HB SER 132 HB1 SER 132 10.490 -0.342 -0.342 978 2HB SER 132 HB2 SER 132 10.316 -1.966 -1.966 979 HG SER 132 HG SER 132 8.391 -1.996 -1.996 980 H ASP 133 HN ASP 133 10.227 -2.497 -2.497 981 HA ASP 133 HA ASP 133 12.094 -1.993 -1.993 982 1HB ASP 133 HB1 ASP 133 13.062 -4.359 -4.359 983 2HB ASP 133 HB2 ASP 133 11.326 -4.330 -4.330 984 H LEU 134 HN LEU 134 14.010 -1.038 -1.038 985 HA LEU 134 HA LEU 134 15.500 -0.649 -0.649 986 1HB LEU 134 HB1 LEU 134 15.411 0.599 0.599 987 2HB LEU 134 HB2 LEU 134 16.968 0.603 0.603 988 HG LEU 134 HG LEU 134 14.413 1.911 1.911 989 1HD1 LEU 134 HD13 LEU 134 17.167 2.818 2.818 990 2HD1 LEU 134 HD12 LEU 134 16.126 3.815 3.815 991 3HD1 LEU 134 HD11 LEU 134 15.609 3.372 3.372 992 1HD2 LEU 134 HD23 LEU 134 16.828 1.205 1.205 993 2HD2 LEU 134 HD22 LEU 134 15.126 0.912 0.912 994 3HD2 LEU 134 HD21 LEU 134 15.770 2.554 2.554 995 H HIS 135 HN HIS 135 15.371 -3.301 -3.301 996 HA HIS 135 HA HIS 135 18.118 -3.984 -3.984 997 1HB HIS 135 HB2 HIS 135 18.268 -4.952 -4.952 998 2HB HIS 135 HB1 HIS 135 18.479 -3.214 -3.214 999 HD2 HIS 135 HD2 HIS 135 17.195 -1.937 -1.937 1000 HE1 HIS 135 HE1 HIS 135 13.939 -4.612 -4.612 1001 HE2 HIS 135 HE2 HIS 135 14.905 -2.388 -2.388 1002 H HIS 136 HN HIS 136 15.839 -4.852 -4.852 1003 HA HIS 136 HA HIS 136 15.422 -7.565 -7.565 1004 1HB HIS 136 HB2 HIS 136 13.555 -5.678 -5.678 1005 2HB HIS 136 HB1 HIS 136 13.659 -6.812 -6.812 1006 HD2 HIS 136 HD2 HIS 136 11.732 -8.627 -8.627 1007 HE1 HIS 136 HE1 HIS 136 11.858 -8.972 -8.972 1008 HE2 HIS 136 HE2 HIS 136 10.641 -9.675 -9.675 1009 H ARG 137 HN ARG 137 14.926 -9.178 -9.178 1010 HA ARG 137 HA ARG 137 16.614 -8.682 -8.682 1011 1HB ARG 137 HB1 ARG 137 17.121 -10.679 -10.679 1012 2HB ARG 137 HB2 ARG 137 17.354 -11.219 -11.219 1013 1HG ARG 137 HG1 ARG 137 19.063 -9.679 -9.679 1014 2HG ARG 137 HG2 ARG 137 18.615 -8.695 -8.695 1015 1HD ARG 137 HD1 ARG 137 20.058 -11.315 -11.315 1016 2HD ARG 137 HD2 ARG 137 20.518 -9.816 -9.816 1017 HE ARG 137 HE ARG 137 18.794 -11.885 -11.885 1018 1HH1 ARG 137 HH11 ARG 137 19.728 -8.536 -8.536 1019 2HH1 ARG 137 HH12 ARG 137 19.179 -8.357 -8.357 1020 1HH2 ARG 137 HH21 ARG 137 18.071 -11.660 -11.660 1021 2HH2 ARG 137 HH22 ARG 137 18.239 -10.133 -10.133 1022 H ASP 138 HN ASP 138 15.628 -9.304 -9.304 1023 HA ASP 138 HA ASP 138 13.138 -10.720 -10.720 1024 1HB ASP 138 HB2 ASP 138 13.153 -9.093 -9.093 1025 2HB ASP 138 HB1 ASP 138 13.429 -10.570 -10.570 1026 H ALA 139 HN ALA 139 12.647 -12.703 -12.703 1027 HA ALA 139 HA ALA 139 14.322 -14.820 -14.820 1028 1HB ALA 139 HB1 ALA 139 11.781 -14.515 -14.515 1029 2HB ALA 139 HB3 ALA 139 12.682 -15.396 -15.396 1030 3HB ALA 139 HB2 ALA 139 12.579 -16.033 -16.033 1031 H SER 140 HN SER 140 14.443 -12.615 -12.615 1032 HA SER 140 HA SER 140 15.762 -14.145 -14.145 1033 1HB SER 140 HB1 SER 140 15.623 -12.234 -12.234 1034 2HB SER 140 HB2 SER 140 14.899 -11.500 -11.500 1035 HG SER 140 HG SER 140 16.891 -10.510 -10.510 1036 H GLY 141 HN GLY 141 16.997 -12.170 -12.170 1037 1HA GLY 141 HA2 GLY 141 18.972 -13.031 -13.031 1038 2HA GLY 141 HA1 GLY 141 19.625 -13.456 -13.456 1039 H LEU 142 HN LEU 142 18.101 -10.467 -10.467 1040 HA LEU 142 HA LEU 142 20.493 -8.998 -8.998 1041 1HB LEU 142 HB1 LEU 142 20.248 -7.551 -7.551 1042 2HB LEU 142 HB2 LEU 142 20.661 -9.207 -9.207 1043 HG LEU 142 HG LEU 142 17.954 -9.312 -9.312 1044 1HD1 LEU 142 HD23 LEU 142 17.916 -6.825 -6.825 1045 2HD1 LEU 142 HD22 LEU 142 18.686 -6.621 -6.621 1046 3HD1 LEU 142 HD21 LEU 142 17.089 -7.361 -7.361 1047 1HD2 LEU 142 HD11 LEU 142 19.718 -10.052 -10.052 1048 2HD2 LEU 142 HD13 LEU 142 18.278 -9.355 -9.355 1049 3HD2 LEU 142 HD12 LEU 142 19.755 -8.400 -8.400 1050 H THR 143 HN THR 143 20.157 -7.052 -7.052 1051 HA THR 143 HA THR 143 17.392 -6.409 -6.409 1052 HB THR 143 HB THR 143 18.181 -5.574 -5.574 1053 HG1 THR 143 HG1 THR 143 20.638 -4.777 -4.777 1054 1HG2 THR 143 HG21 THR 143 19.596 -7.780 -7.780 1055 2HG2 THR 143 HG23 THR 143 20.886 -6.632 -6.632 1056 3HG2 THR 143 HG22 THR 143 19.659 -6.988 -6.988 1057 HA PRO 144 HA PRO 144 16.847 -2.417 -2.417 1058 1HB PRO 144 HB1 PRO 144 18.022 -1.010 -1.010 1059 2HB PRO 144 HB2 PRO 144 16.519 -0.682 -0.682 1060 1HG PRO 144 HG2 PRO 144 16.471 -1.927 -1.927 1061 2HG PRO 144 HG1 PRO 144 15.385 -2.425 -2.425 1062 1HD PRO 144 HD2 PRO 144 17.845 -3.750 -3.750 1063 2HD PRO 144 HD1 PRO 144 16.374 -4.471 -4.471 1064 H LEU 145 HN LEU 145 19.779 -1.945 -1.945 1065 HA LEU 145 HA LEU 145 21.132 -0.343 -0.343 1066 1HB LEU 145 HB1 LEU 145 22.195 -2.170 -2.170 1067 2HB LEU 145 HB2 LEU 145 23.198 -1.052 -1.052 1068 HG LEU 145 HG LEU 145 20.990 -0.396 -0.396 1069 1HD1 LEU 145 HD12 LEU 145 23.745 -0.729 -0.729 1070 2HD1 LEU 145 HD11 LEU 145 23.483 1.015 1.015 1071 3HD1 LEU 145 HD13 LEU 145 22.629 -0.004 -0.004 1072 1HD2 LEU 145 HD21 LEU 145 21.968 1.137 1.137 1073 2HD2 LEU 145 HD23 LEU 145 20.523 1.362 1.362 1074 3HD2 LEU 145 HD22 LEU 145 22.072 2.002 2.002 1075 H GLU 146 HN GLU 146 20.984 -3.841 -3.841 1076 HA GLU 146 HA GLU 146 23.077 -4.500 -4.500 1077 1HB GLU 146 HB2 GLU 146 20.547 -6.002 -6.002 1078 2HB GLU 146 HB1 GLU 146 21.871 -6.684 -6.684 1079 1HG GLU 146 HG1 GLU 146 21.999 -5.723 -5.723 1080 2HG GLU 146 HG2 GLU 146 22.016 -7.398 -7.398 1081 H LEU 147 HN LEU 147 19.567 -4.607 -4.607 1082 HA LEU 147 HA LEU 147 19.752 -4.942 -4.942 1083 1HB LEU 147 HB2 LEU 147 17.703 -4.537 -4.537 1084 2HB LEU 147 HB1 LEU 147 17.588 -3.143 -3.143 1085 HG LEU 147 HG LEU 147 17.481 -6.032 -6.032 1086 1HD1 LEU 147 HD13 LEU 147 15.470 -4.097 -4.097 1087 2HD1 LEU 147 HD12 LEU 147 15.181 -4.753 -4.753 1088 3HD1 LEU 147 HD11 LEU 147 15.338 -5.840 -5.840 1089 1HD2 LEU 147 HD22 LEU 147 17.828 -3.504 -3.504 1090 2HD2 LEU 147 HD21 LEU 147 18.341 -5.141 -5.141 1091 3HD2 LEU 147 HD23 LEU 147 16.664 -4.654 -4.654 1092 H ALA 148 HN ALA 148 19.537 -1.933 -1.933 1093 HA ALA 148 HA ALA 148 19.602 -0.125 -0.125 1094 1HB ALA 148 HB3 ALA 148 19.545 0.075 0.075 1095 2HB ALA 148 HB2 ALA 148 21.157 0.688 0.688 1096 3HB ALA 148 HB1 ALA 148 19.740 1.436 1.436 1097 H ARG 149 HN ARG 149 22.171 -1.956 -1.956 1098 HA ARG 149 HA ARG 149 24.358 -0.574 -0.574 1099 1HB ARG 149 HB2 ARG 149 24.536 -2.126 -2.126 1100 2HB ARG 149 HB1 ARG 149 24.234 -3.472 -3.472 1101 1HG ARG 149 HG2 ARG 149 26.445 -1.659 -1.659 1102 2HG ARG 149 HG1 ARG 149 26.683 -2.665 -2.665 1103 1HD ARG 149 HD2 ARG 149 27.103 -4.432 -4.432 1104 2HD ARG 149 HD1 ARG 149 25.537 -4.260 -4.260 1105 HE ARG 149 HE ARG 149 27.631 -2.511 -2.511 1106 1HH1 ARG 149 HH21 ARG 149 25.938 -5.530 -5.530 1107 2HH1 ARG 149 HH22 ARG 149 26.385 -5.731 -5.731 1108 1HH2 ARG 149 HH11 ARG 149 28.230 -2.764 -2.764 1109 2HH2 ARG 149 HH12 ARG 149 27.691 -4.159 -4.159 1110 H GLN 150 HN GLN 150 22.496 -3.430 -3.430 1111 HA GLN 150 HA GLN 150 23.920 -3.990 -3.990 1112 1HB GLN 150 HB2 GLN 150 22.687 -5.794 -5.794 1113 2HB GLN 150 HB1 GLN 150 21.260 -4.808 -4.808 1114 1HG GLN 150 HG1 GLN 150 20.470 -5.790 -5.790 1115 2HG GLN 150 HG2 GLN 150 21.504 -4.666 -4.666 1116 1HE2 GLN 150 HE22 GLN 150 22.325 -8.632 -8.632 1117 2HE2 GLN 150 HE21 GLN 150 21.079 -7.933 -7.933 1118 H ARG 151 HN ARG 151 20.472 -3.324 -3.324 1119 HA ARG 151 HA ARG 151 20.747 -1.746 -1.746 1120 1HB ARG 151 HB1 ARG 151 18.787 -3.315 -3.315 1121 2HB ARG 151 HB2 ARG 151 18.234 -1.910 -1.910 1122 1HG ARG 151 HG2 ARG 151 17.676 -0.752 -0.752 1123 2HG ARG 151 HG1 ARG 151 18.910 -1.541 -1.541 1124 1HD ARG 151 HD2 ARG 151 16.605 -3.124 -3.124 1125 2HD ARG 151 HD1 ARG 151 16.391 -2.099 -2.099 1126 HE ARG 151 HE ARG 151 18.607 -3.544 -3.544 1127 1HH1 ARG 151 HH11 ARG 151 15.387 -4.376 -4.376 1128 2HH1 ARG 151 HH12 ARG 151 15.379 -5.902 -5.902 1129 1HH2 ARG 151 HH21 ARG 151 18.610 -5.551 -5.551 1130 2HH2 ARG 151 HH22 ARG 151 17.212 -6.570 -6.570 1131 H GLY 152 HN GLY 152 22.299 -0.423 -0.423 1132 1HA GLY 152 HA1 GLY 152 21.053 1.453 1.453 1133 2HA GLY 152 HA2 GLY 152 22.715 1.500 1.500 1134 H ALA 153 HN ALA 153 19.657 1.656 1.656 1135 HA ALA 153 HA ALA 153 20.331 3.450 3.450 1136 1HB ALA 153 HB1 ALA 153 18.011 2.369 2.369 1137 2HB ALA 153 HB3 ALA 153 17.735 3.942 3.942 1138 3HB ALA 153 HB2 ALA 153 18.087 3.835 3.835 1139 H GLN 154 HN GLN 154 20.836 5.608 5.608 1140 HA GLN 154 HA GLN 154 21.768 7.541 7.541 1141 1HB GLN 154 HB2 GLN 154 19.382 8.185 8.185 1142 2HB GLN 154 HB1 GLN 154 20.069 9.013 9.013 1143 1HG GLN 154 HG2 GLN 154 18.203 8.365 8.365 1144 2HG GLN 154 HG1 GLN 154 19.016 6.809 6.809 1145 1HE2 GLN 154 HE22 GLN 154 17.160 5.950 5.950 1146 2HE2 GLN 154 HE21 GLN 154 18.789 6.463 6.463 1147 H ASN 155 HN ASN 155 20.846 8.821 8.821 1148 HA ASN 155 HA ASN 155 22.691 7.534 7.534 1149 1HB ASN 155 HB2 ASN 155 21.786 9.310 9.310 1150 2HB ASN 155 HB1 ASN 155 22.644 9.876 9.876 1151 1HD2 ASN 155 HD22 ASN 155 19.330 11.628 11.628 1152 2HD2 ASN 155 HD21 ASN 155 20.573 11.122 11.122 1153 H LEU 156 HN LEU 156 20.895 5.593 5.593 1154 HA LEU 156 HA LEU 156 18.654 5.476 5.476 1155 1HB LEU 156 HB1 LEU 156 20.040 3.703 3.703 1156 2HB LEU 156 HB2 LEU 156 19.403 2.850 2.850 1157 HG LEU 156 HG LEU 156 17.910 4.378 4.378 1158 1HD1 LEU 156 HD12 LEU 156 17.642 1.612 1.612 1159 2HD1 LEU 156 HD11 LEU 156 16.588 2.301 2.301 1160 3HD1 LEU 156 HD13 LEU 156 18.294 2.026 2.026 1161 1HD2 LEU 156 HD23 LEU 156 17.215 4.059 4.059 1162 2HD2 LEU 156 HD22 LEU 156 16.647 5.234 5.234 1163 3HD2 LEU 156 HD21 LEU 156 15.951 3.615 3.615 1164 H MET 157 HN MET 157 21.545 3.407 3.407 1165 HA MET 157 HA MET 157 21.120 2.528 2.528 1166 1HB MET 157 HB1 MET 157 23.207 1.587 1.587 1167 2HB MET 157 HB2 MET 157 22.901 1.903 1.903 1168 1HG MET 157 HG2 MET 157 24.277 3.833 3.833 1169 2HG MET 157 HG1 MET 157 24.418 3.789 3.789 1170 1HE MET 157 HE1 MET 157 25.570 1.839 1.839 1171 2HE MET 157 HE3 MET 157 24.854 0.519 0.519 1172 3HE MET 157 HE2 MET 157 26.604 0.609 0.609 1173 H ASP 158 HN ASP 158 22.114 5.620 5.620 1174 HA ASP 158 HA ASP 158 23.447 6.424 6.424 1175 1HB ASP 158 HB1 ASP 158 23.515 7.443 7.443 1176 2HB ASP 158 HB2 ASP 158 22.175 8.412 8.412 1177 H ILE 159 HN ILE 159 20.217 7.139 7.139 1178 HA ILE 159 HA ILE 159 19.292 8.662 8.662 1179 HB ILE 159 HB ILE 159 17.521 6.805 6.805 1180 1HG1 ILE 159 HG12 ILE 159 17.782 9.490 9.490 1181 2HG1 ILE 159 HG11 ILE 159 19.301 8.604 8.604 1182 1HG2 ILE 159 HG23 ILE 159 17.205 9.327 9.327 1183 2HG2 ILE 159 HG22 ILE 159 16.104 8.986 8.986 1184 3HG2 ILE 159 HG21 ILE 159 16.224 7.865 7.865 1185 1HD1 ILE 159 HD11 ILE 159 17.862 6.708 6.708 1186 2HD1 ILE 159 HD13 ILE 159 16.695 7.993 7.993 1187 3HD1 ILE 159 HD12 ILE 159 18.310 8.087 8.087 1188 H LEU 160 HN LEU 160 19.522 5.196 5.196 1189 HA LEU 160 HA LEU 160 17.858 4.530 4.530 1190 1HB LEU 160 HB2 LEU 160 19.961 2.669 2.669 1191 2HB LEU 160 HB1 LEU 160 18.319 2.327 2.327 1192 HG LEU 160 HG LEU 160 19.331 3.233 3.233 1193 1HD1 LEU 160 HD13 LEU 160 18.638 0.844 0.844 1194 2HD1 LEU 160 HD12 LEU 160 16.996 1.450 1.450 1195 3HD1 LEU 160 HD11 LEU 160 18.127 1.448 1.448 1196 1HD2 LEU 160 HD21 LEU 160 16.844 4.165 4.165 1197 2HD2 LEU 160 HD23 LEU 160 17.844 4.922 4.922 1198 3HD2 LEU 160 HD22 LEU 160 16.730 3.622 3.622 1199 H GLN 161 HN GLN 161 21.333 4.886 4.886 1200 HA GLN 161 HA GLN 161 22.117 3.973 3.973 1201 1HB GLN 161 HB2 GLN 161 23.367 5.212 5.212 1202 2HB GLN 161 HB1 GLN 161 24.030 5.824 5.824 1203 1HG GLN 161 HG2 GLN 161 24.366 3.439 3.439 1204 2HG GLN 161 HG1 GLN 161 23.940 2.975 2.975 1205 1HE2 GLN 161 HE22 GLN 161 27.275 3.162 3.162 1206 2HE2 GLN 161 HE21 GLN 161 25.808 2.253 2.253 1207 H GLY 162 HN GLY 162 20.839 6.985 6.985 1208 1HA GLY 162 HA2 GLY 162 21.760 8.594 8.594 1209 2HA GLY 162 HA1 GLY 162 20.490 9.016 9.016 1210 H HIS 163 HN HIS 163 18.546 7.262 7.262 1211 HA HIS 163 HA HIS 163 17.436 8.009 8.009 1212 1HB HIS 163 HB1 HIS 163 16.491 6.148 6.148 1213 2HB HIS 163 HB2 HIS 163 15.557 6.456 6.456 1214 HD2 HIS 163 HD2 HIS 163 17.027 8.624 8.624 1215 HE1 HIS 163 HE1 HIS 163 13.432 10.333 10.333 1216 HE2 HIS 163 HE2 HIS 163 15.186 10.409 10.409 1217 H MET 164 HN MET 164 19.491 5.513 5.513 1218 HA MET 164 HA MET 164 18.567 3.516 3.516 1219 1HB MET 164 HB2 MET 164 20.658 3.756 3.756 1220 2HB MET 164 HB1 MET 164 21.173 2.853 2.853 1221 1HG MET 164 HG1 MET 164 18.601 2.235 2.235 1222 2HG MET 164 HG2 MET 164 20.139 1.562 1.562 1223 1HE MET 164 HE1 MET 164 21.822 0.916 0.916 1224 2HE MET 164 HE3 MET 164 21.334 -0.389 -0.389 1225 3HE MET 164 HE2 MET 164 21.332 -0.642 -0.642 1226 H MET 165 HN MET 165 18.816 3.654 3.654 1227 HA MET 165 HA MET 165 19.538 4.454 4.454 1228 1HB MET 165 HB2 MET 165 21.179 2.531 2.531 1229 2HB MET 165 HB1 MET 165 22.339 3.821 3.821 1230 1HG MET 165 HG1 MET 165 20.728 3.709 3.709 1231 2HG MET 165 HG2 MET 165 21.088 2.037 2.037 1232 1HE MET 165 HE1 MET 165 22.137 1.323 1.323 1233 2HE MET 165 HE3 MET 165 23.850 1.112 1.112 1234 3HE MET 165 HE2 MET 165 23.349 2.121 2.121 1235 H ILE 166 HN ILE 166 22.209 5.363 5.363 1236 HA ILE 166 HA ILE 166 23.078 7.451 7.451 1237 HB ILE 166 HB ILE 166 24.148 8.458 8.458 1238 1HG1 ILE 166 HG12 ILE 166 22.844 6.273 6.273 1239 2HG1 ILE 166 HG11 ILE 166 22.187 7.905 7.905 1240 1HG2 ILE 166 HG22 ILE 166 24.843 6.218 6.218 1241 2HG2 ILE 166 HG21 ILE 166 24.541 5.539 5.539 1242 3HG2 ILE 166 HG23 ILE 166 25.731 6.827 6.827 1243 1HD1 ILE 166 HD12 ILE 166 25.022 7.440 7.440 1244 2HD1 ILE 166 HD11 ILE 166 23.697 7.287 7.287 1245 3HD1 ILE 166 HD13 ILE 166 23.976 8.821 8.821 1246 HA PRO 167 HA PRO 167 18.980 9.573 9.573 1247 1HB PRO 167 HB1 PRO 167 19.071 10.032 10.032 1248 2HB PRO 167 HB2 PRO 167 17.706 9.581 9.581 1249 1HG PRO 167 HG1 PRO 167 18.856 7.792 7.792 1250 2HG PRO 167 HG2 PRO 167 18.287 7.335 7.335 1251 1HD PRO 167 HD1 PRO 167 21.072 7.858 7.858 1252 2HD PRO 167 HD2 PRO 167 20.482 6.637 6.637 1253 H MET 168 HN MET 168 20.560 11.016 11.016 1254 HA MET 168 HA MET 168 20.904 13.448 13.448 1255 1HB MET 168 HB1 MET 168 23.137 12.307 12.307 1256 2HB MET 168 HB2 MET 168 23.195 13.758 13.758 1257 1HG MET 168 HG2 MET 168 22.587 11.132 11.132 1258 2HG MET 168 HG1 MET 168 24.249 11.541 11.541 1259 1HE MET 168 HE1 MET 168 23.616 10.820 10.820 1260 2HE MET 168 HE3 MET 168 25.196 11.506 11.506 1261 3HE MET 168 HE2 MET 168 24.263 12.140 12.140 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -36.775 -17.190 -17.190 2 2H GLY 1 HT3 GLY 1 -35.812 -16.987 -16.987 3 3H GLY 1 HT2 GLY 1 -37.485 -16.758 -16.758 4 1HA GLY 1 HA2 GLY 1 -37.442 -14.725 -14.725 5 2HA GLY 1 HA1 GLY 1 -35.901 -14.719 -14.719 6 H SER 2 HN SER 2 -34.006 -14.757 -14.757 7 HA SER 2 HA SER 2 -32.752 -14.012 -14.012 8 1HB SER 2 HB2 SER 2 -33.779 -16.096 -16.096 9 2HB SER 2 HB1 SER 2 -32.158 -15.876 -15.876 10 HG SER 2 HG SER 2 -32.715 -17.596 -17.596 11 H MET 3 HN MET 3 -33.974 -12.057 -12.057 12 HA MET 3 HA MET 3 -35.941 -12.110 -12.110 13 1HB MET 3 HB2 MET 3 -36.119 -10.711 -10.711 14 2HB MET 3 HB1 MET 3 -34.942 -9.643 -9.643 15 1HG MET 3 HG2 MET 3 -37.019 -10.169 -10.169 16 2HG MET 3 HG1 MET 3 -37.745 -9.696 -9.696 17 1HE MET 3 HE2 MET 3 -38.210 -8.407 -8.407 18 2HE MET 3 HE1 MET 3 -38.590 -7.002 -7.002 19 3HE MET 3 HE3 MET 3 -37.445 -6.854 -6.854 20 H LEU 4 HN LEU 4 -32.656 -11.065 -11.065 21 HA LEU 4 HA LEU 4 -32.413 -10.343 -10.343 22 1HB LEU 4 HB1 LEU 4 -31.839 -8.772 -8.772 23 2HB LEU 4 HB2 LEU 4 -30.363 -9.043 -9.043 24 HG LEU 4 HG LEU 4 -32.569 -8.259 -8.259 25 1HD1 LEU 4 HD13 LEU 4 -33.039 -7.094 -7.094 26 2HD1 LEU 4 HD12 LEU 4 -31.645 -6.097 -6.097 27 3HD1 LEU 4 HD11 LEU 4 -33.052 -6.139 -6.139 28 1HD2 LEU 4 HD22 LEU 4 -29.738 -7.474 -7.474 29 2HD2 LEU 4 HD21 LEU 4 -30.486 -8.091 -8.091 30 3HD2 LEU 4 HD23 LEU 4 -30.774 -6.426 -6.426 31 H LEU 5 HN LEU 5 -30.969 -11.486 -11.486 32 HA LEU 5 HA LEU 5 -28.836 -12.866 -12.866 33 1HB LEU 5 HB2 LEU 5 -30.949 -14.021 -14.021 34 2HB LEU 5 HB1 LEU 5 -29.494 -14.246 -14.246 35 HG LEU 5 HG LEU 5 -29.742 -16.184 -16.184 36 1HD1 LEU 5 HD22 LEU 5 -27.611 -14.270 -14.270 37 2HD1 LEU 5 HD21 LEU 5 -27.787 -15.725 -15.725 38 3HD1 LEU 5 HD23 LEU 5 -27.494 -15.861 -15.861 39 1HD2 LEU 5 HD11 LEU 5 -30.900 -14.381 -14.381 40 2HD2 LEU 5 HD13 LEU 5 -30.846 -16.142 -16.142 41 3HD2 LEU 5 HD12 LEU 5 -29.555 -15.191 -15.191 42 H GLU 6 HN GLU 6 -27.765 -10.770 -10.770 43 HA GLU 6 HA GLU 6 -26.223 -11.244 -11.244 44 1HB GLU 6 HB2 GLU 6 -28.316 -9.728 -9.728 45 2HB GLU 6 HB1 GLU 6 -27.345 -8.487 -8.487 46 1HG GLU 6 HG1 GLU 6 -25.931 -9.999 -9.999 47 2HG GLU 6 HG2 GLU 6 -27.308 -9.066 -9.066 48 H GLU 7 HN GLU 7 -24.240 -10.091 -10.091 49 HA GLU 7 HA GLU 7 -23.555 -8.489 -8.489 50 1HB GLU 7 HB1 GLU 7 -22.122 -11.040 -11.040 51 2HB GLU 7 HB2 GLU 7 -21.478 -9.847 -9.847 52 1HG GLU 7 HG2 GLU 7 -23.641 -10.184 -10.184 53 2HG GLU 7 HG1 GLU 7 -23.864 -11.628 -11.628 54 H VAL 8 HN VAL 8 -23.823 -8.253 -8.253 55 HA VAL 8 HA VAL 8 -21.158 -7.094 -7.094 56 HB VAL 8 HB VAL 8 -22.936 -8.524 -8.524 57 1HG1 VAL 8 HG12 VAL 8 -20.946 -6.421 -6.421 58 2HG1 VAL 8 HG11 VAL 8 -20.669 -7.874 -7.874 59 3HG1 VAL 8 HG13 VAL 8 -22.208 -7.020 -7.020 60 1HG2 VAL 8 HG22 VAL 8 -20.909 -9.458 -9.458 61 2HG2 VAL 8 HG21 VAL 8 -21.541 -10.253 -10.253 62 3HG2 VAL 8 HG23 VAL 8 -20.118 -9.215 -9.215 63 H CYS 9 HN CYS 9 -23.816 -6.885 -6.885 64 HA CYS 9 HA CYS 9 -24.853 -5.071 -5.071 65 1HB CYS 9 HB2 CYS 9 -25.120 -4.506 -4.506 66 2HB CYS 9 HB1 CYS 9 -25.945 -3.562 -3.562 67 HG CYS 9 HG CYS 9 -27.707 -5.242 -5.242 68 H VAL 10 HN VAL 10 -23.670 -3.244 -3.244 69 HA VAL 10 HA VAL 10 -22.639 -1.180 -1.180 70 HB VAL 10 HB VAL 10 -22.533 0.097 0.097 71 1HG1 VAL 10 HG13 VAL 10 -24.661 -1.217 -1.217 72 2HG1 VAL 10 HG12 VAL 10 -23.851 -2.226 -2.226 73 3HG1 VAL 10 HG11 VAL 10 -24.088 -0.506 -0.506 74 1HG2 VAL 10 HG23 VAL 10 -21.304 -2.240 -2.240 75 2HG2 VAL 10 HG22 VAL 10 -20.490 -0.789 -0.789 76 3HG2 VAL 10 HG21 VAL 10 -21.639 -0.678 -0.678 77 H GLY 11 HN GLY 11 -21.313 -3.943 -3.943 78 1HA GLY 11 HA2 GLY 11 -18.669 -3.476 -3.476 79 2HA GLY 11 HA1 GLY 11 -19.297 -4.998 -4.998 80 H ASP 12 HN ASP 12 -20.390 -3.600 -3.600 81 HA ASP 12 HA ASP 12 -17.840 -3.406 -3.406 82 1HB ASP 12 HB1 ASP 12 -19.536 -5.231 -5.231 83 2HB ASP 12 HB2 ASP 12 -20.535 -3.937 -3.937 84 H ARG 13 HN ARG 13 -19.062 -1.207 -1.207 85 HA ARG 13 HA ARG 13 -19.686 0.590 0.590 86 1HB ARG 13 HB2 ARG 13 -21.581 0.338 0.338 87 2HB ARG 13 HB1 ARG 13 -20.561 0.808 0.808 88 1HG ARG 13 HG1 ARG 13 -20.685 3.000 3.000 89 2HG ARG 13 HG2 ARG 13 -20.669 2.720 2.720 90 1HD ARG 13 HD2 ARG 13 -23.013 2.378 2.378 91 2HD ARG 13 HD1 ARG 13 -22.802 3.644 3.644 92 HE ARG 13 HE ARG 13 -22.660 1.185 1.185 93 1HH1 ARG 13 HH21 ARG 13 -24.980 3.100 3.100 94 2HH1 ARG 13 HH22 ARG 13 -26.345 2.470 2.470 95 1HH2 ARG 13 HH11 ARG 13 -24.452 0.347 0.347 96 2HH2 ARG 13 HH12 ARG 13 -26.045 0.904 0.904 97 H LEU 14 HN LEU 14 -18.414 0.732 0.732 98 HA LEU 14 HA LEU 14 -16.905 3.094 3.094 99 1HB LEU 14 HB1 LEU 14 -17.628 2.659 2.659 100 2HB LEU 14 HB2 LEU 14 -16.877 1.074 1.074 101 HG LEU 14 HG LEU 14 -14.655 2.401 2.401 102 1HD1 LEU 14 HD21 LEU 14 -16.624 4.519 4.519 103 2HD1 LEU 14 HD23 LEU 14 -15.055 4.595 4.595 104 3HD1 LEU 14 HD22 LEU 14 -15.146 4.594 4.594 105 1HD2 LEU 14 HD12 LEU 14 -16.250 2.259 2.259 106 2HD2 LEU 14 HD11 LEU 14 -15.039 1.120 1.120 107 3HD2 LEU 14 HD13 LEU 14 -14.549 2.727 2.727 108 H SER 15 HN SER 15 -16.309 -0.279 -0.279 109 HA SER 15 HA SER 15 -13.490 -0.268 -0.268 110 1HB SER 15 HB1 SER 15 -13.884 -2.306 -2.306 111 2HB SER 15 HB2 SER 15 -14.322 -2.421 -2.421 112 HG SER 15 HG SER 15 -16.422 -2.215 -2.215 113 H GLY 16 HN GLY 16 -15.758 0.049 0.049 114 1HA GLY 16 HA2 GLY 16 -13.691 0.419 0.419 115 2HA GLY 16 HA1 GLY 16 -15.407 0.706 0.706 116 H ALA 17 HN ALA 17 -15.705 2.596 2.596 117 HA ALA 17 HA ALA 17 -15.116 4.975 4.975 118 1HB ALA 17 HB3 ALA 17 -16.896 4.570 4.570 119 2HB ALA 17 HB2 ALA 17 -15.614 4.825 4.825 120 3HB ALA 17 HB1 ALA 17 -16.044 6.113 6.113 121 H ALA 18 HN ALA 18 -13.679 3.728 3.728 122 HA ALA 18 HA ALA 18 -11.693 5.660 5.660 123 1HB ALA 18 HB2 ALA 18 -12.325 3.107 3.107 124 2HB ALA 18 HB1 ALA 18 -10.582 3.309 3.309 125 3HB ALA 18 HB3 ALA 18 -11.521 4.507 4.507 126 H ALA 19 HN ALA 19 -11.597 2.543 2.543 127 HA ALA 19 HA ALA 19 -8.871 2.806 2.806 128 1HB ALA 19 HB3 ALA 19 -10.179 0.650 0.650 129 2HB ALA 19 HB2 ALA 19 -10.917 1.027 1.027 130 3HB ALA 19 HB1 ALA 19 -9.173 0.790 0.790 131 H ARG 20 HN ARG 20 -11.882 3.943 3.943 132 HA ARG 20 HA ARG 20 -11.060 4.287 4.287 133 1HB ARG 20 HB1 ARG 20 -13.416 4.905 4.905 134 2HB ARG 20 HB2 ARG 20 -13.081 6.116 6.116 135 1HG ARG 20 HG2 ARG 20 -12.969 4.218 4.218 136 2HG ARG 20 HG1 ARG 20 -13.624 3.187 3.187 137 1HD ARG 20 HD1 ARG 20 -15.555 3.820 3.820 138 2HD ARG 20 HD2 ARG 20 -15.430 5.083 5.083 139 HE ARG 20 HE ARG 20 -14.116 6.093 6.093 140 1HH1 ARG 20 HH11 ARG 20 -17.309 4.839 4.839 141 2HH1 ARG 20 HH12 ARG 20 -18.065 5.836 5.836 142 1HH2 ARG 20 HH21 ARG 20 -15.099 7.413 7.413 143 2HH2 ARG 20 HH22 ARG 20 -16.809 7.301 7.301 144 H GLY 21 HN GLY 21 -10.743 6.139 6.139 145 1HA GLY 21 HA1 GLY 21 -9.246 7.894 7.894 146 2HA GLY 21 HA2 GLY 21 -9.012 8.017 8.017 147 H ASP 22 HN ASP 22 -11.662 8.438 8.438 148 HA ASP 22 HA ASP 22 -12.234 11.031 11.031 149 1HB ASP 22 HB2 ASP 22 -14.656 9.858 9.858 150 2HB ASP 22 HB1 ASP 22 -13.889 8.737 8.737 151 H VAL 23 HN VAL 23 -11.090 11.975 11.975 152 HA VAL 23 HA VAL 23 -11.504 11.528 11.528 153 HB VAL 23 HB VAL 23 -9.720 12.973 12.973 154 1HG1 VAL 23 HG12 VAL 23 -11.168 13.976 13.976 155 2HG1 VAL 23 HG11 VAL 23 -11.707 15.127 15.127 156 3HG1 VAL 23 HG13 VAL 23 -9.999 15.032 15.032 157 1HG2 VAL 23 HG21 VAL 23 -11.358 13.470 13.470 158 2HG2 VAL 23 HG23 VAL 23 -9.718 14.071 14.071 159 3HG2 VAL 23 HG22 VAL 23 -11.100 15.058 15.058 160 H GLN 24 HN GLN 24 -13.599 12.977 12.977 161 HA GLN 24 HA GLN 24 -15.183 14.492 14.492 162 1HB GLN 24 HB2 GLN 24 -15.829 13.482 13.482 163 2HB GLN 24 HB1 GLN 24 -16.787 14.648 14.648 164 1HG GLN 24 HG1 GLN 24 -15.006 16.249 16.249 165 2HG GLN 24 HG2 GLN 24 -13.915 15.069 15.069 166 1HE2 GLN 24 HE22 GLN 24 -16.683 17.025 17.025 167 2HE2 GLN 24 HE21 GLN 24 -16.749 17.048 17.048 168 H GLU 25 HN GLU 25 -15.605 11.356 11.356 169 HA GLU 25 HA GLU 25 -18.048 10.760 10.760 170 1HB GLU 25 HB1 GLU 25 -16.228 8.752 8.752 171 2HB GLU 25 HB2 GLU 25 -17.969 8.653 8.653 172 1HG GLU 25 HG1 GLU 25 -17.601 9.135 9.135 173 2HG GLU 25 HG2 GLU 25 -18.179 10.626 10.626 174 H VAL 26 HN VAL 26 -14.665 9.824 9.824 175 HA VAL 26 HA VAL 26 -14.934 7.889 7.889 176 HB VAL 26 HB VAL 26 -12.794 8.741 8.741 177 1HG1 VAL 26 HG12 VAL 26 -12.857 10.587 10.587 178 2HG1 VAL 26 HG11 VAL 26 -11.462 10.319 10.319 179 3HG1 VAL 26 HG13 VAL 26 -12.924 11.060 11.060 180 1HG2 VAL 26 HG23 VAL 26 -13.114 7.019 7.019 181 2HG2 VAL 26 HG22 VAL 26 -11.500 7.599 7.599 182 3HG2 VAL 26 HG21 VAL 26 -12.354 8.272 8.272 183 H ARG 27 HN ARG 27 -14.937 11.401 11.401 184 HA ARG 27 HA ARG 27 -15.000 11.393 11.393 185 1HB ARG 27 HB2 ARG 27 -15.457 13.471 13.471 186 2HB ARG 27 HB1 ARG 27 -15.819 13.823 13.823 187 1HG ARG 27 HG2 ARG 27 -13.497 13.289 13.289 188 2HG ARG 27 HG1 ARG 27 -13.146 12.992 12.992 189 1HD ARG 27 HD1 ARG 27 -12.818 15.159 15.159 190 2HD ARG 27 HD2 ARG 27 -14.423 15.535 15.535 191 HE ARG 27 HE ARG 27 -12.930 15.157 15.157 192 1HH1 ARG 27 HH21 ARG 27 -12.603 17.161 17.161 193 2HH1 ARG 27 HH22 ARG 27 -11.757 18.423 18.423 194 1HH2 ARG 27 HH11 ARG 27 -11.815 16.810 16.810 195 2HH2 ARG 27 HH12 ARG 27 -11.307 18.223 18.223 196 H ARG 28 HN ARG 28 -17.489 12.355 12.355 197 HA ARG 28 HA ARG 28 -19.592 12.474 12.474 198 1HB ARG 28 HB2 ARG 28 -19.728 11.974 11.974 199 2HB ARG 28 HB1 ARG 28 -21.077 12.464 12.464 200 1HG ARG 28 HG2 ARG 28 -19.119 14.361 14.361 201 2HG ARG 28 HG1 ARG 28 -19.014 14.065 14.065 202 1HD ARG 28 HD2 ARG 28 -21.566 14.692 14.692 203 2HD ARG 28 HD1 ARG 28 -20.594 15.882 15.882 204 HE ARG 28 HE ARG 28 -22.411 13.997 13.997 205 1HH1 ARG 28 HH21 ARG 28 -19.481 15.783 15.783 206 2HH1 ARG 28 HH22 ARG 28 -19.656 15.765 15.765 207 1HH2 ARG 28 HH11 ARG 28 -22.653 13.966 13.966 208 2HH2 ARG 28 HH12 ARG 28 -21.460 14.732 14.732 209 H LEU 29 HN LEU 29 -18.161 9.796 9.796 210 HA LEU 29 HA LEU 29 -20.249 7.959 7.959 211 1HB LEU 29 HB2 LEU 29 -17.297 7.802 7.802 212 2HB LEU 29 HB1 LEU 29 -18.137 6.351 6.351 213 HG LEU 29 HG LEU 29 -18.675 7.782 7.782 214 1HD1 LEU 29 HD13 LEU 29 -16.730 5.662 5.662 215 2HD1 LEU 29 HD12 LEU 29 -17.542 5.545 5.545 216 3HD1 LEU 29 HD11 LEU 29 -16.583 6.972 6.972 217 1HD2 LEU 29 HD22 LEU 29 -19.830 5.440 5.440 218 2HD2 LEU 29 HD21 LEU 29 -20.566 6.568 6.568 219 3HD2 LEU 29 HD23 LEU 29 -19.531 5.267 5.267 220 H LEU 30 HN LEU 30 -17.578 8.030 8.030 221 HA LEU 30 HA LEU 30 -19.035 6.457 6.457 222 1HB LEU 30 HB2 LEU 30 -16.627 8.087 8.087 223 2HB LEU 30 HB1 LEU 30 -17.126 6.527 6.527 224 HG LEU 30 HG LEU 30 -16.499 6.548 6.548 225 1HD1 LEU 30 HD13 LEU 30 -14.832 8.149 8.149 226 2HD1 LEU 30 HD12 LEU 30 -14.228 6.775 6.775 227 3HD1 LEU 30 HD11 LEU 30 -14.158 6.750 6.750 228 1HD2 LEU 30 HD22 LEU 30 -16.923 4.638 4.638 229 2HD2 LEU 30 HD21 LEU 30 -15.930 4.397 4.397 230 3HD2 LEU 30 HD23 LEU 30 -15.169 4.761 4.761 231 H HIS 31 HN HIS 31 -18.050 9.878 9.878 232 HA HIS 31 HA HIS 31 -19.287 10.529 10.529 233 1HB HIS 31 HB2 HIS 31 -17.823 11.922 11.922 234 2HB HIS 31 HB1 HIS 31 -19.143 12.899 12.899 235 HD2 HIS 31 HD2 HIS 31 -15.612 12.668 12.668 236 HE1 HIS 31 HE1 HIS 31 -17.300 13.023 13.023 237 HE2 HIS 31 HE2 HIS 31 -15.144 13.001 13.001 238 H ARG 32 HN ARG 32 -20.654 9.865 9.865 239 HA ARG 32 HA ARG 32 -23.178 11.060 11.060 240 1HB ARG 32 HB1 ARG 32 -21.676 12.070 12.070 241 2HB ARG 32 HB2 ARG 32 -22.973 11.149 11.149 242 1HG ARG 32 HG1 ARG 32 -23.690 13.411 13.411 243 2HG ARG 32 HG2 ARG 32 -24.598 12.422 12.422 244 1HD ARG 32 HD2 ARG 32 -22.483 13.139 13.139 245 2HD ARG 32 HD1 ARG 32 -22.625 14.554 14.554 246 HE ARG 32 HE ARG 32 -24.443 13.737 13.737 247 1HH1 ARG 32 HH21 ARG 32 -24.071 15.568 15.568 248 2HH1 ARG 32 HH22 ARG 32 -25.410 16.616 16.616 249 1HH2 ARG 32 HH11 ARG 32 -26.212 15.108 15.108 250 2HH2 ARG 32 HH12 ARG 32 -26.625 16.356 16.356 251 H GLU 33 HN GLU 33 -22.013 9.198 9.198 252 HA GLU 33 HA GLU 33 -24.307 7.684 7.684 253 1HB GLU 33 HB1 GLU 33 -22.130 7.899 7.899 254 2HB GLU 33 HB2 GLU 33 -21.621 6.477 6.477 255 1HG GLU 33 HG2 GLU 33 -24.315 6.248 6.248 256 2HG GLU 33 HG1 GLU 33 -23.079 6.479 6.479 257 H LEU 34 HN LEU 34 -21.970 7.474 7.474 258 HA LEU 34 HA LEU 34 -21.646 6.045 6.045 259 1HB LEU 34 HB2 LEU 34 -24.437 5.050 5.050 260 2HB LEU 34 HB1 LEU 34 -23.578 5.108 5.108 261 HG LEU 34 HG LEU 34 -24.947 7.313 7.313 262 1HD1 LEU 34 HD12 LEU 34 -25.383 5.819 5.819 263 2HD1 LEU 34 HD11 LEU 34 -25.050 7.484 7.484 264 3HD1 LEU 34 HD13 LEU 34 -26.354 7.133 7.133 265 1HD2 LEU 34 HD22 LEU 34 -22.731 7.690 7.690 266 2HD2 LEU 34 HD21 LEU 34 -22.697 8.159 8.159 267 3HD2 LEU 34 HD23 LEU 34 -23.807 8.958 8.958 268 H VAL 35 HN VAL 35 -20.296 5.010 5.010 269 HA VAL 35 HA VAL 35 -21.209 2.247 2.247 270 HB VAL 35 HB VAL 35 -20.652 3.574 3.574 271 1HG1 VAL 35 HG13 VAL 35 -18.784 4.835 4.835 272 2HG1 VAL 35 HG12 VAL 35 -17.785 3.406 3.406 273 3HG1 VAL 35 HG11 VAL 35 -18.455 4.286 4.286 274 1HG2 VAL 35 HG21 VAL 35 -20.142 0.971 0.971 275 2HG2 VAL 35 HG23 VAL 35 -19.927 1.727 1.727 276 3HG2 VAL 35 HG22 VAL 35 -18.544 1.521 1.521 277 H HIS 36 HN HIS 36 -20.192 0.606 0.606 278 HA HIS 36 HA HIS 36 -18.334 0.962 0.962 279 1HB HIS 36 HB1 HIS 36 -19.857 -1.122 -1.122 280 2HB HIS 36 HB2 HIS 36 -18.250 -1.659 -1.659 281 HD2 HIS 36 HD2 HIS 36 -19.308 0.108 0.108 282 HE1 HIS 36 HE1 HIS 36 -17.396 -3.580 -3.580 283 HE2 HIS 36 HE2 HIS 36 -18.280 -1.429 -1.429 284 HA PRO 37 HA PRO 37 -14.407 1.506 1.506 285 1HB PRO 37 HB1 PRO 37 -12.854 0.015 0.015 286 2HB PRO 37 HB2 PRO 37 -13.369 1.680 1.680 287 1HG PRO 37 HG2 PRO 37 -14.543 -0.874 -0.874 288 2HG PRO 37 HG1 PRO 37 -14.302 0.667 0.667 289 1HD PRO 37 HD1 PRO 37 -16.712 -0.058 -0.058 290 2HD PRO 37 HD2 PRO 37 -16.176 1.634 1.634 291 H ASP 38 HN ASP 38 -14.371 -1.785 -1.785 292 HA ASP 38 HA ASP 38 -12.813 -3.024 -3.024 293 1HB ASP 38 HB2 ASP 38 -15.278 -4.337 -4.337 294 2HB ASP 38 HB1 ASP 38 -13.760 -5.104 -5.104 295 H ALA 39 HN ALA 39 -16.377 -3.110 -3.110 296 HA ALA 39 HA ALA 39 -17.748 -3.709 -3.709 297 1HB ALA 39 HB3 ALA 39 -16.272 -1.218 -1.218 298 2HB ALA 39 HB2 ALA 39 -17.412 -1.914 -1.914 299 3HB ALA 39 HB1 ALA 39 -17.962 -1.435 -1.435 300 H LEU 40 HN LEU 40 -17.238 -5.686 -5.686 301 HA LEU 40 HA LEU 40 -15.056 -5.916 -5.916 302 1HB LEU 40 HB1 LEU 40 -16.831 -7.914 -7.914 303 2HB LEU 40 HB2 LEU 40 -15.803 -8.371 -8.371 304 HG LEU 40 HG LEU 40 -13.840 -8.035 -8.035 305 1HD1 LEU 40 HD22 LEU 40 -15.515 -6.325 -6.325 306 2HD1 LEU 40 HD21 LEU 40 -13.918 -6.907 -6.907 307 3HD1 LEU 40 HD23 LEU 40 -14.098 -5.871 -5.871 308 1HD2 LEU 40 HD11 LEU 40 -15.891 -9.015 -9.015 309 2HD2 LEU 40 HD13 LEU 40 -15.039 -9.995 -9.995 310 3HD2 LEU 40 HD12 LEU 40 -14.147 -9.243 -9.243 311 H ASN 41 HN ASN 41 -15.325 -6.023 -6.023 312 HA ASN 41 HA ASN 41 -17.814 -5.399 -5.399 313 1HB ASN 41 HB1 ASN 41 -16.670 -5.715 -5.715 314 2HB ASN 41 HB2 ASN 41 -15.667 -4.789 -4.789 315 1HD2 ASN 41 HD22 ASN 41 -13.659 -7.411 -7.411 316 2HD2 ASN 41 HD21 ASN 41 -14.716 -6.154 -6.154 317 H ARG 42 HN ARG 42 -16.158 -8.412 -8.412 318 HA ARG 42 HA ARG 42 -18.574 -9.875 -9.875 319 1HB ARG 42 HB1 ARG 42 -16.248 -9.830 -9.830 320 2HB ARG 42 HB2 ARG 42 -16.627 -11.459 -11.459 321 1HG ARG 42 HG2 ARG 42 -18.763 -9.683 -9.683 322 2HG ARG 42 HG1 ARG 42 -17.689 -10.589 -10.589 323 1HD ARG 42 HD1 ARG 42 -18.347 -12.614 -12.614 324 2HD ARG 42 HD2 ARG 42 -19.716 -11.602 -11.602 325 HE ARG 42 HE ARG 42 -20.653 -12.074 -12.074 326 1HH1 ARG 42 HH21 ARG 42 -17.219 -12.593 -12.593 327 2HH1 ARG 42 HH22 ARG 42 -17.290 -13.207 -13.207 328 1HH2 ARG 42 HH11 ARG 42 -20.760 -12.876 -12.876 329 2HH2 ARG 42 HH12 ARG 42 -19.302 -13.365 -13.365 330 H PHE 43 HN PHE 43 -17.308 -9.358 -9.358 331 HA PHE 43 HA PHE 43 -16.558 -10.375 -10.375 332 1HB PHE 43 HB2 PHE 43 -18.501 -11.745 -11.745 333 2HB PHE 43 HB1 PHE 43 -17.783 -12.715 -12.715 334 HD1 PHE 43 HD2 PHE 43 -17.523 -11.896 -11.896 335 HD2 PHE 43 HD1 PHE 43 -16.541 -14.639 -14.639 336 HE1 PHE 43 HE2 PHE 43 -16.713 -13.508 -13.508 337 HE2 PHE 43 HE1 PHE 43 -15.730 -16.256 -16.256 338 HZ PHE 43 HZ PHE 43 -15.816 -15.691 -15.691 339 H GLY 44 HN GLY 44 -14.372 -9.814 -9.814 340 1HA GLY 44 HA2 GLY 44 -12.596 -11.978 -11.978 341 2HA GLY 44 HA1 GLY 44 -12.719 -11.618 -11.618 342 H LYS 45 HN LYS 45 -12.550 -9.140 -9.140 343 HA LYS 45 HA LYS 45 -10.094 -8.256 -8.256 344 1HB LYS 45 HB2 LYS 45 -11.369 -7.639 -7.639 345 2HB LYS 45 HB1 LYS 45 -10.149 -6.566 -6.566 346 1HG LYS 45 HG2 LYS 45 -9.272 -9.307 -9.307 347 2HG LYS 45 HG1 LYS 45 -9.729 -8.846 -8.846 348 1HD LYS 45 HD2 LYS 45 -8.322 -6.670 -6.670 349 2HD LYS 45 HD1 LYS 45 -7.506 -7.891 -7.891 350 1HE LYS 45 HE2 LYS 45 -6.873 -9.136 -9.136 351 2HE LYS 45 HE1 LYS 45 -8.035 -8.315 -8.315 352 1HZ LYS 45 HZ1 LYS 45 -6.303 -6.393 -6.393 353 2HZ LYS 45 HZ3 LYS 45 -5.354 -7.660 -7.660 354 3HZ LYS 45 HZ2 LYS 45 -6.463 -6.882 -6.882 355 H THR 46 HN THR 46 -9.942 -6.397 -6.397 356 HA THR 46 HA THR 46 -12.432 -5.053 -5.053 357 HB THR 46 HB THR 46 -10.976 -3.880 -3.880 358 HG1 THR 46 HG1 THR 46 -8.924 -5.079 -5.079 359 1HG2 THR 46 HG23 THR 46 -11.368 -6.820 -6.820 360 2HG2 THR 46 HG22 THR 46 -10.361 -6.120 -6.120 361 3HG2 THR 46 HG21 THR 46 -12.039 -5.604 -5.604 362 H ALA 47 HN ALA 47 -12.481 -2.672 -2.672 363 HA ALA 47 HA ALA 47 -12.016 -1.430 -1.430 364 1HB ALA 47 HB2 ALA 47 -12.286 -0.184 -0.184 365 2HB ALA 47 HB1 ALA 47 -12.379 0.701 0.701 366 3HB ALA 47 HB3 ALA 47 -13.585 -0.529 -0.529 367 H LEU 48 HN LEU 48 -9.916 -1.710 -1.710 368 HA LEU 48 HA LEU 48 -7.989 0.196 0.196 369 1HB LEU 48 HB2 LEU 48 -8.469 -0.990 -0.990 370 2HB LEU 48 HB1 LEU 48 -7.131 -1.974 -1.974 371 HG LEU 48 HG LEU 48 -5.945 0.306 0.306 372 1HD1 LEU 48 HD23 LEU 48 -8.018 1.627 1.627 373 2HD1 LEU 48 HD22 LEU 48 -7.940 1.137 1.137 374 3HD1 LEU 48 HD21 LEU 48 -6.647 2.112 2.112 375 1HD2 LEU 48 HD12 LEU 48 -5.607 -1.523 -1.523 376 2HD2 LEU 48 HD11 LEU 48 -4.852 0.060 0.060 377 3HD2 LEU 48 HD13 LEU 48 -6.330 -0.317 -0.317 378 H GLN 49 HN GLN 49 -8.271 -3.324 -3.324 379 HA GLN 49 HA GLN 49 -5.739 -3.712 -3.712 380 1HB GLN 49 HB2 GLN 49 -6.995 -5.438 -5.438 381 2HB GLN 49 HB1 GLN 49 -8.101 -5.590 -5.590 382 1HG GLN 49 HG2 GLN 49 -6.397 -6.435 -6.435 383 2HG GLN 49 HG1 GLN 49 -5.140 -6.023 -6.023 384 1HE2 GLN 49 HE22 GLN 49 -5.455 -9.549 -9.549 385 2HE2 GLN 49 HE21 GLN 49 -4.726 -8.384 -8.384 386 H VAL 50 HN VAL 50 -8.623 -2.448 -2.448 387 HA VAL 50 HA VAL 50 -7.981 -3.212 -3.212 388 HB VAL 50 HB VAL 50 -10.392 -2.520 -2.520 389 1HG1 VAL 50 HG12 VAL 50 -9.249 -4.933 -4.933 390 2HG1 VAL 50 HG11 VAL 50 -10.674 -4.869 -4.869 391 3HG1 VAL 50 HG13 VAL 50 -10.846 -4.707 -4.707 392 1HG2 VAL 50 HG23 VAL 50 -10.305 -1.848 -1.848 393 2HG2 VAL 50 HG22 VAL 50 -11.698 -1.804 -1.804 394 3HG2 VAL 50 HG21 VAL 50 -11.363 -3.252 -3.252 395 H MET 51 HN MET 51 -8.419 -0.612 -0.612 396 HA MET 51 HA MET 51 -9.018 1.539 1.539 397 1HB MET 51 HB2 MET 51 -7.877 2.935 2.935 398 2HB MET 51 HB1 MET 51 -8.738 1.649 1.649 399 1HG MET 51 HG2 MET 51 -6.874 0.837 0.837 400 2HG MET 51 HG1 MET 51 -6.005 0.919 0.919 401 1HE MET 51 HE2 MET 51 -6.572 1.887 1.887 402 2HE MET 51 HE1 MET 51 -4.883 2.352 2.352 403 3HE MET 51 HE3 MET 51 -6.148 3.579 3.579 404 H MET 52 HN MET 52 -7.349 3.348 3.348 405 HA MET 52 HA MET 52 -5.037 2.124 2.124 406 1HB MET 52 HB1 MET 52 -5.437 3.274 3.274 407 2HB MET 52 HB2 MET 52 -7.078 2.933 2.933 408 1HG MET 52 HG2 MET 52 -7.440 5.102 5.102 409 2HG MET 52 HG1 MET 52 -6.579 5.335 5.335 410 1HE MET 52 HE3 MET 52 -6.997 7.478 7.478 411 2HE MET 52 HE2 MET 52 -5.420 8.269 8.269 412 3HE MET 52 HE1 MET 52 -6.181 7.774 7.774 413 H PHE 53 HN PHE 53 -5.448 3.611 3.611 414 HA PHE 53 HA PHE 53 -4.544 5.353 5.353 415 1HB PHE 53 HB2 PHE 53 -2.156 4.577 4.577 416 2HB PHE 53 HB1 PHE 53 -2.102 5.421 5.421 417 HD1 PHE 53 HD2 PHE 53 -3.703 2.331 2.331 418 HD2 PHE 53 HD1 PHE 53 -1.451 4.130 4.130 419 HE1 PHE 53 HE2 PHE 53 -3.612 0.163 0.163 420 HE2 PHE 53 HE1 PHE 53 -1.360 1.966 1.966 421 HZ PHE 53 HZ PHE 53 -2.441 -0.020 -0.020 422 H GLY 54 HN GLY 54 -5.838 6.155 6.155 423 1HA GLY 54 HA1 GLY 54 -4.370 8.066 8.066 424 2HA GLY 54 HA2 GLY 54 -6.118 8.071 8.071 425 H SER 55 HN SER 55 -7.067 9.312 9.312 426 HA SER 55 HA SER 55 -5.588 11.648 11.648 427 1HB SER 55 HB1 SER 55 -8.385 10.738 10.738 428 2HB SER 55 HB2 SER 55 -7.886 11.800 11.800 429 HG SER 55 HG SER 55 -7.384 12.419 12.419 430 HA PRO 56 HA PRO 56 -4.040 10.444 10.444 431 1HB PRO 56 HB2 PRO 56 -4.588 13.120 13.120 432 2HB PRO 56 HB1 PRO 56 -3.037 12.345 12.345 433 1HG PRO 56 HG2 PRO 56 -3.967 14.395 14.395 434 2HG PRO 56 HG1 PRO 56 -2.969 13.099 13.099 435 1HD PRO 56 HD2 PRO 56 -5.938 13.479 13.479 436 2HD PRO 56 HD1 PRO 56 -4.808 12.954 12.954 437 H ALA 57 HN ALA 57 -6.951 12.480 12.480 438 HA ALA 57 HA ALA 57 -7.716 11.738 11.738 439 1HB ALA 57 HB1 ALA 57 -8.758 13.355 13.355 440 2HB ALA 57 HB3 ALA 57 -10.050 12.354 12.354 441 3HB ALA 57 HB2 ALA 57 -9.119 13.409 13.409 442 H VAL 58 HN VAL 58 -8.054 10.077 10.077 443 HA VAL 58 HA VAL 58 -10.273 8.475 8.475 444 HB VAL 58 HB VAL 58 -9.815 7.301 7.301 445 1HG1 VAL 58 HG22 VAL 58 -9.673 9.829 9.829 446 2HG1 VAL 58 HG21 VAL 58 -7.946 9.562 9.562 447 3HG1 VAL 58 HG23 VAL 58 -9.119 8.785 8.785 448 1HG2 VAL 58 HG12 VAL 58 -6.861 7.647 7.647 449 2HG2 VAL 58 HG11 VAL 58 -7.801 6.186 6.186 450 3HG2 VAL 58 HG13 VAL 58 -7.582 6.774 6.774 451 H ALA 59 HN ALA 59 -6.793 7.855 7.855 452 HA ALA 59 HA ALA 59 -7.074 5.306 5.306 453 1HB ALA 59 HB3 ALA 59 -4.875 7.351 7.351 454 2HB ALA 59 HB2 ALA 59 -4.749 5.811 5.811 455 3HB ALA 59 HB1 ALA 59 -4.945 5.839 5.839 456 H LEU 60 HN LEU 60 -6.698 8.525 8.525 457 HA LEU 60 HA LEU 60 -6.738 7.707 7.707 458 1HB LEU 60 HB1 LEU 60 -6.033 9.950 9.950 459 2HB LEU 60 HB2 LEU 60 -7.738 10.345 10.345 460 HG LEU 60 HG LEU 60 -6.842 11.330 11.330 461 1HD1 LEU 60 HD22 LEU 60 -9.117 10.135 10.135 462 2HD1 LEU 60 HD21 LEU 60 -8.316 8.917 8.917 463 3HD1 LEU 60 HD23 LEU 60 -8.412 10.587 10.587 464 1HD2 LEU 60 HD11 LEU 60 -5.220 9.051 9.051 465 2HD2 LEU 60 HD13 LEU 60 -5.218 10.406 10.406 466 3HD2 LEU 60 HD12 LEU 60 -6.206 8.984 8.984 467 H GLU 61 HN GLU 61 -9.350 9.051 9.051 468 HA GLU 61 HA GLU 61 -11.374 8.810 8.810 469 1HB GLU 61 HB1 GLU 61 -11.412 9.037 9.037 470 2HB GLU 61 HB2 GLU 61 -12.898 8.880 8.880 471 1HG GLU 61 HG2 GLU 61 -12.823 10.994 10.994 472 2HG GLU 61 HG1 GLU 61 -11.080 10.946 10.946 473 H LEU 62 HN LEU 62 -10.764 6.728 6.728 474 HA LEU 62 HA LEU 62 -12.709 4.819 4.819 475 1HB LEU 62 HB2 LEU 62 -12.152 3.907 3.907 476 2HB LEU 62 HB1 LEU 62 -11.068 5.268 5.268 477 HG LEU 62 HG LEU 62 -9.265 3.833 3.833 478 1HD1 LEU 62 HD23 LEU 62 -11.527 1.993 1.993 479 2HD1 LEU 62 HD22 LEU 62 -10.080 1.297 1.297 480 3HD1 LEU 62 HD21 LEU 62 -10.008 1.978 1.978 481 1HD2 LEU 62 HD12 LEU 62 -9.840 4.220 4.220 482 2HD2 LEU 62 HD11 LEU 62 -8.602 3.062 3.062 483 3HD2 LEU 62 HD13 LEU 62 -10.216 2.498 2.498 484 H LEU 63 HN LEU 63 -9.181 4.745 4.745 485 HA LEU 63 HA LEU 63 -9.153 2.250 2.250 486 1HB LEU 63 HB1 LEU 63 -7.186 3.555 3.555 487 2HB LEU 63 HB2 LEU 63 -7.215 4.490 4.490 488 HG LEU 63 HG LEU 63 -7.001 1.500 1.500 489 1HD1 LEU 63 HD12 LEU 63 -5.161 3.109 3.109 490 2HD1 LEU 63 HD11 LEU 63 -4.448 2.802 2.802 491 3HD1 LEU 63 HD13 LEU 63 -4.929 1.451 1.451 492 1HD2 LEU 63 HD22 LEU 63 -6.721 3.775 3.775 493 2HD2 LEU 63 HD21 LEU 63 -7.159 2.098 2.098 494 3HD2 LEU 63 HD23 LEU 63 -5.463 2.547 2.547 495 H LYS 64 HN LYS 64 -9.424 5.551 5.551 496 HA LYS 64 HA LYS 64 -9.319 4.887 4.887 497 1HB LYS 64 HB2 LYS 64 -9.051 7.182 7.182 498 2HB LYS 64 HB1 LYS 64 -10.744 7.202 7.202 499 1HG LYS 64 HG1 LYS 64 -11.472 7.553 7.553 500 2HG LYS 64 HG2 LYS 64 -10.215 6.544 6.544 501 1HD LYS 64 HD1 LYS 64 -8.990 8.334 8.334 502 2HD LYS 64 HD2 LYS 64 -9.032 8.865 8.865 503 1HE LYS 64 HE1 LYS 64 -10.015 10.638 10.638 504 2HE LYS 64 HE2 LYS 64 -11.403 9.710 9.710 505 1HZ LYS 64 HZ3 LYS 64 -10.237 9.584 9.584 506 2HZ LYS 64 HZ2 LYS 64 -11.669 10.376 10.376 507 3HZ LYS 64 HZ1 LYS 64 -11.569 8.693 8.693 508 H GLN 65 HN GLN 65 -12.041 5.158 5.158 509 HA GLN 65 HA GLN 65 -14.196 5.004 5.004 510 1HB GLN 65 HB1 GLN 65 -13.686 4.481 4.481 511 2HB GLN 65 HB2 GLN 65 -14.612 3.118 3.118 512 1HG GLN 65 HG2 GLN 65 -15.382 5.983 5.983 513 2HG GLN 65 HG1 GLN 65 -16.272 4.534 4.534 514 1HE2 GLN 65 HE22 GLN 65 -17.822 6.055 6.055 515 2HE2 GLN 65 HE21 GLN 65 -17.424 6.617 6.617 516 H GLY 66 HN GLY 66 -11.871 2.492 2.492 517 1HA GLY 66 HA2 GLY 66 -11.768 0.934 0.934 518 2HA GLY 66 HA1 GLY 66 -13.452 0.612 0.612 519 H ALA 67 HN ALA 67 -10.361 0.762 0.762 520 HA ALA 67 HA ALA 67 -11.161 -1.696 -1.696 521 1HB ALA 67 HB3 ALA 67 -10.608 0.489 0.489 522 2HB ALA 67 HB2 ALA 67 -8.928 0.090 0.090 523 3HB ALA 67 HB1 ALA 67 -9.914 -1.022 -1.022 524 H SER 68 HN SER 68 -9.286 -3.122 -3.122 525 HA SER 68 HA SER 68 -7.477 -3.405 -3.405 526 1HB SER 68 HB1 SER 68 -7.407 -5.796 -5.796 527 2HB SER 68 HB2 SER 68 -8.279 -5.501 -5.501 528 HG SER 68 HG SER 68 -9.222 -5.593 -5.593 529 HA PRO 69 HA PRO 69 -4.449 -2.138 -2.138 530 1HB PRO 69 HB1 PRO 69 -2.429 -1.823 -1.823 531 2HB PRO 69 HB2 PRO 69 -3.647 -0.586 -0.586 532 1HG PRO 69 HG2 PRO 69 -3.516 -2.571 -2.571 533 2HG PRO 69 HG1 PRO 69 -3.963 -0.855 -0.855 534 1HD PRO 69 HD2 PRO 69 -5.809 -2.821 -2.821 535 2HD PRO 69 HD1 PRO 69 -6.105 -1.262 -1.262 536 H ASN 70 HN ASN 70 -4.554 -4.806 -4.806 537 HA ASN 70 HA ASN 70 -2.166 -6.015 -6.015 538 1HB ASN 70 HB2 ASN 70 -3.779 -6.778 -6.778 539 2HB ASN 70 HB1 ASN 70 -2.441 -7.735 -7.735 540 1HD2 ASN 70 HD22 ASN 70 -0.038 -5.115 -5.115 541 2HD2 ASN 70 HD21 ASN 70 -0.521 -6.058 -6.058 542 H VAL 71 HN VAL 71 -3.098 -6.515 -6.515 543 HA VAL 71 HA VAL 71 -4.750 -8.928 -8.928 544 HB VAL 71 HB VAL 71 -6.097 -8.039 -8.039 545 1HG1 VAL 71 HG21 VAL 71 -6.891 -8.185 -8.185 546 2HG1 VAL 71 HG23 VAL 71 -6.482 -6.477 -6.477 547 3HG1 VAL 71 HG22 VAL 71 -7.714 -6.982 -6.982 548 1HG2 VAL 71 HG13 VAL 71 -4.309 -6.023 -6.023 549 2HG2 VAL 71 HG12 VAL 71 -5.935 -5.916 -5.916 550 3HG2 VAL 71 HG11 VAL 71 -5.601 -5.267 -5.267 551 H GLN 72 HN GLN 72 -4.090 -10.426 -10.426 552 HA GLN 72 HA GLN 72 -2.643 -9.660 -9.660 553 1HB GLN 72 HB1 GLN 72 -0.904 -11.518 -11.518 554 2HB GLN 72 HB2 GLN 72 -0.702 -9.852 -9.852 555 1HG GLN 72 HG2 GLN 72 -2.269 -11.010 -11.010 556 2HG GLN 72 HG1 GLN 72 -1.081 -12.245 -12.245 557 1HE2 GLN 72 HE22 GLN 72 1.646 -10.559 -10.559 558 2HE2 GLN 72 HE21 GLN 72 1.101 -11.842 -11.842 559 H ASP 73 HN ASP 73 -2.660 -11.226 -11.226 560 HA ASP 73 HA ASP 73 -3.793 -13.838 -13.838 561 1HB ASP 73 HB2 ASP 73 -5.220 -12.757 -12.757 562 2HB ASP 73 HB1 ASP 73 -5.465 -11.733 -11.733 563 H ALA 74 HN ALA 74 -4.309 -14.727 -14.727 564 HA ALA 74 HA ALA 74 -3.324 -15.577 -15.577 565 1HB ALA 74 HB1 ALA 74 -2.933 -12.814 -12.814 566 2HB ALA 74 HB3 ALA 74 -1.375 -13.525 -13.525 567 3HB ALA 74 HB2 ALA 74 -2.819 -13.967 -13.967 568 H SER 75 HN SER 75 -0.556 -13.734 -13.734 569 HA SER 75 HA SER 75 0.798 -16.273 -16.273 570 1HB SER 75 HB2 SER 75 2.914 -14.934 -14.934 571 2HB SER 75 HB1 SER 75 1.889 -15.842 -15.842 572 HG SER 75 HG SER 75 2.304 -13.715 -13.715 573 H GLY 76 HN GLY 76 1.557 -12.786 -12.786 574 1HA GLY 76 HA1 GLY 76 1.416 -12.623 -12.623 575 2HA GLY 76 HA2 GLY 76 3.082 -12.890 -12.890 576 H THR 77 HN THR 77 0.304 -10.743 -10.743 577 HA THR 77 HA THR 77 2.084 -8.459 -8.459 578 HB THR 77 HB THR 77 0.368 -7.898 -7.898 579 HG1 THR 77 HG1 THR 77 0.105 -10.215 -10.215 580 1HG2 THR 77 HG21 THR 77 2.949 -7.479 -7.479 581 2HG2 THR 77 HG23 THR 77 3.095 -8.832 -8.832 582 3HG2 THR 77 HG22 THR 77 2.248 -7.365 -7.365 583 H SER 78 HN SER 78 0.990 -6.450 -6.450 584 HA SER 78 HA SER 78 -1.855 -6.627 -6.627 585 1HB SER 78 HB1 SER 78 -1.633 -6.029 -6.029 586 2HB SER 78 HB2 SER 78 -0.096 -6.866 -6.866 587 HG SER 78 HG SER 78 0.678 -4.652 -4.652 588 HA PRO 79 HA PRO 79 -2.572 -2.459 -2.459 589 1HB PRO 79 HB1 PRO 79 -2.284 -1.340 -1.340 590 2HB PRO 79 HB2 PRO 79 -3.593 -1.132 -1.132 591 1HG PRO 79 HG1 PRO 79 -3.884 -2.750 -2.750 592 2HG PRO 79 HG2 PRO 79 -4.552 -3.182 -3.182 593 1HD PRO 79 HD1 PRO 79 -2.136 -4.230 -4.230 594 2HD PRO 79 HD2 PRO 79 -3.280 -5.069 -5.069 595 H VAL 80 HN VAL 80 -0.212 -2.231 -2.231 596 HA VAL 80 HA VAL 80 1.165 -0.007 -0.007 597 HB VAL 80 HB VAL 80 1.477 -1.906 -1.906 598 1HG1 VAL 80 HG12 VAL 80 4.031 -1.605 -1.605 599 2HG1 VAL 80 HG11 VAL 80 3.940 -2.190 -2.190 600 3HG1 VAL 80 HG13 VAL 80 3.172 -3.103 -3.103 601 1HG2 VAL 80 HG23 VAL 80 1.581 0.673 0.673 602 2HG2 VAL 80 HG22 VAL 80 2.527 -0.178 -0.178 603 3HG2 VAL 80 HG21 VAL 80 3.311 0.426 0.426 604 H HIS 81 HN HIS 81 1.722 -3.409 -3.409 605 HA HIS 81 HA HIS 81 4.032 -2.998 -2.998 606 1HB HIS 81 HB1 HIS 81 1.942 -5.166 -5.166 607 2HB HIS 81 HB2 HIS 81 3.584 -5.213 -5.213 608 HD2 HIS 81 HD2 HIS 81 5.435 -6.236 -6.236 609 HE1 HIS 81 HE1 HIS 81 3.024 -6.251 -6.251 610 HE2 HIS 81 HE2 HIS 81 5.175 -7.095 -7.095 611 H ASP 82 HN ASP 82 0.654 -3.465 -3.465 612 HA ASP 82 HA ASP 82 1.038 -3.027 -3.027 613 1HB ASP 82 HB2 ASP 82 -1.474 -1.891 -1.891 614 2HB ASP 82 HB1 ASP 82 -1.153 -3.416 -3.416 615 H ALA 83 HN ALA 83 0.195 -0.668 -0.668 616 HA ALA 83 HA ALA 83 0.000 1.594 1.594 617 1HB ALA 83 HB3 ALA 83 -0.307 1.119 1.119 618 2HB ALA 83 HB2 ALA 83 1.216 2.006 2.006 619 3HB ALA 83 HB1 ALA 83 -0.220 2.734 2.734 620 H ALA 84 HN ALA 84 2.839 0.542 0.542 621 HA ALA 84 HA ALA 84 4.629 2.462 2.462 622 1HB ALA 84 HB2 ALA 84 4.870 0.573 0.573 623 2HB ALA 84 HB1 ALA 84 5.558 -0.345 -0.345 624 3HB ALA 84 HB3 ALA 84 6.301 1.174 1.174 625 H ARG 85 HN ARG 85 4.051 -0.758 -0.758 626 HA ARG 85 HA ARG 85 5.900 -0.600 -0.600 627 1HB ARG 85 HB1 ARG 85 4.470 -2.596 -2.596 628 2HB ARG 85 HB2 ARG 85 3.246 -1.979 -1.979 629 1HG ARG 85 HG1 ARG 85 4.274 -3.434 -3.434 630 2HG ARG 85 HG2 ARG 85 5.287 -2.019 -2.019 631 1HD ARG 85 HD1 ARG 85 7.086 -2.955 -2.955 632 2HD ARG 85 HD2 ARG 85 6.141 -3.656 -3.656 633 HE ARG 85 HE ARG 85 6.232 -5.623 -5.623 634 1HH1 ARG 85 HH11 ARG 85 6.474 -3.031 -3.031 635 2HH1 ARG 85 HH12 ARG 85 6.637 -4.088 -4.088 636 1HH2 ARG 85 HH21 ARG 85 6.449 -7.024 -7.024 637 2HH2 ARG 85 HH22 ARG 85 6.626 -6.358 -6.358 638 H THR 86 HN THR 86 2.543 0.506 0.506 639 HA THR 86 HA THR 86 2.447 1.298 1.298 640 HB THR 86 HB THR 86 0.307 2.237 2.237 641 HG1 THR 86 HG1 THR 86 0.962 1.993 1.993 642 1HG2 THR 86 HG22 THR 86 0.961 -0.389 -0.389 643 2HG2 THR 86 HG21 THR 86 -0.254 0.299 0.299 644 3HG2 THR 86 HG23 THR 86 -0.558 0.221 0.221 645 H GLY 87 HN GLY 87 2.452 3.228 3.228 646 1HA GLY 87 HA2 GLY 87 4.257 4.984 4.984 647 2HA GLY 87 HA1 GLY 87 3.686 5.419 5.419 648 H PHE 88 HN PHE 88 2.588 5.092 5.092 649 HA PHE 88 HA PHE 88 1.000 7.529 7.529 650 1HB PHE 88 HB2 PHE 88 0.010 4.971 4.971 651 2HB PHE 88 HB1 PHE 88 -0.837 6.512 6.512 652 HD1 PHE 88 HD2 PHE 88 -1.065 7.632 7.632 653 HD2 PHE 88 HD1 PHE 88 -0.775 3.466 3.466 654 HE1 PHE 88 HE2 PHE 88 -2.177 7.116 7.116 655 HE2 PHE 88 HE1 PHE 88 -1.885 2.942 2.942 656 HZ PHE 88 HZ PHE 88 -2.588 4.767 4.767 657 H LEU 89 HN LEU 89 3.423 7.635 7.635 658 HA LEU 89 HA LEU 89 3.760 7.104 7.104 659 1HB LEU 89 HB1 LEU 89 5.309 8.221 8.221 660 2HB LEU 89 HB2 LEU 89 4.761 9.698 9.698 661 HG LEU 89 HG LEU 89 6.543 7.560 7.560 662 1HD1 LEU 89 HD11 LEU 89 7.109 9.953 9.953 663 2HD1 LEU 89 HD13 LEU 89 6.637 10.449 10.449 664 3HD1 LEU 89 HD12 LEU 89 7.954 9.298 9.298 665 1HD2 LEU 89 HD23 LEU 89 4.733 9.254 9.254 666 2HD2 LEU 89 HD22 LEU 89 4.778 7.492 7.492 667 3HD2 LEU 89 HD21 LEU 89 6.143 8.377 8.377 668 H ASP 90 HN ASP 90 2.025 9.754 9.754 669 HA ASP 90 HA ASP 90 1.681 11.421 11.421 670 1HB ASP 90 HB2 ASP 90 0.074 12.544 12.544 671 2HB ASP 90 HB1 ASP 90 -0.539 11.064 11.064 672 H THR 91 HN THR 91 -0.794 9.204 9.204 673 HA THR 91 HA THR 91 -2.307 9.255 9.255 674 HB THR 91 HB THR 91 -2.475 7.339 7.339 675 HG1 THR 91 HG1 THR 91 -2.969 9.243 9.243 676 1HG2 THR 91 HG21 THR 91 -4.118 7.676 7.676 677 2HG2 THR 91 HG23 THR 91 -4.990 7.535 7.535 678 3HG2 THR 91 HG22 THR 91 -3.875 6.263 6.263 679 H LEU 92 HN LEU 92 -0.049 6.962 6.962 680 HA LEU 92 HA LEU 92 -0.367 4.810 4.810 681 1HB LEU 92 HB2 LEU 92 1.066 4.803 4.803 682 2HB LEU 92 HB1 LEU 92 2.217 5.835 5.835 683 HG LEU 92 HG LEU 92 2.641 4.050 4.050 684 1HD1 LEU 92 HD22 LEU 92 0.315 2.876 2.876 685 2HD1 LEU 92 HD21 LEU 92 1.661 1.751 1.751 686 3HD1 LEU 92 HD23 LEU 92 0.996 2.569 2.569 687 1HD2 LEU 92 HD11 LEU 92 3.988 4.238 4.238 688 2HD2 LEU 92 HD13 LEU 92 3.889 2.588 2.588 689 3HD2 LEU 92 HD12 LEU 92 2.914 3.071 3.071 690 H LYS 93 HN LYS 93 1.845 7.574 7.574 691 HA LYS 93 HA LYS 93 3.003 6.873 6.873 692 1HB LYS 93 HB1 LYS 93 3.703 8.798 8.798 693 2HB LYS 93 HB2 LYS 93 2.253 9.661 9.661 694 1HG LYS 93 HG1 LYS 93 3.013 9.606 9.606 695 2HG LYS 93 HG2 LYS 93 4.476 8.756 8.756 696 1HD LYS 93 HD2 LYS 93 3.634 11.518 11.518 697 2HD LYS 93 HD1 LYS 93 4.906 11.140 11.140 698 1HE LYS 93 HE2 LYS 93 5.820 9.687 9.687 699 2HE LYS 93 HE1 LYS 93 4.877 10.831 10.831 700 1HZ LYS 93 HZ2 LYS 93 6.109 12.594 12.594 701 2HZ LYS 93 HZ1 LYS 93 7.198 11.356 11.356 702 3HZ LYS 93 HZ3 LYS 93 6.954 11.810 11.810 703 H VAL 94 HN VAL 94 -0.114 8.374 8.374 704 HA VAL 94 HA VAL 94 -0.799 9.155 9.155 705 HB VAL 94 HB VAL 94 -2.716 8.028 8.028 706 1HG1 VAL 94 HG22 VAL 94 -3.227 8.753 8.753 707 2HG1 VAL 94 HG21 VAL 94 -3.486 10.283 10.283 708 3HG1 VAL 94 HG23 VAL 94 -4.399 8.853 8.853 709 1HG2 VAL 94 HG13 VAL 94 -1.417 10.726 10.726 710 2HG2 VAL 94 HG12 VAL 94 -1.551 9.660 9.660 711 3HG2 VAL 94 HG11 VAL 94 -2.976 10.506 10.506 712 H LEU 95 HN LEU 95 -2.102 6.261 6.261 713 HA LEU 95 HA LEU 95 -2.968 5.000 5.000 714 1HB LEU 95 HB1 LEU 95 -3.119 2.968 2.968 715 2HB LEU 95 HB2 LEU 95 -3.767 4.354 4.354 716 HG LEU 95 HG LEU 95 -1.170 4.326 4.326 717 1HD1 LEU 95 HD22 LEU 95 -2.053 1.489 1.489 718 2HD1 LEU 95 HD21 LEU 95 -0.809 1.941 1.941 719 3HD1 LEU 95 HD23 LEU 95 -0.571 2.271 2.271 720 1HD2 LEU 95 HD13 LEU 95 -3.638 4.223 4.223 721 2HD2 LEU 95 HD12 LEU 95 -2.133 4.105 4.105 722 3HD2 LEU 95 HD11 LEU 95 -3.001 2.640 2.640 723 H VAL 96 HN VAL 96 0.093 4.853 4.853 724 HA VAL 96 HA VAL 96 1.254 2.740 2.740 725 HB VAL 96 HB VAL 96 2.305 4.918 4.918 726 1HG1 VAL 96 HG23 VAL 96 3.960 3.358 3.358 727 2HG1 VAL 96 HG22 VAL 96 4.633 3.881 3.881 728 3HG1 VAL 96 HG21 VAL 96 4.029 5.075 5.075 729 1HG2 VAL 96 HG12 VAL 96 1.427 2.649 2.649 730 2HG2 VAL 96 HG11 VAL 96 2.996 3.152 3.152 731 3HG2 VAL 96 HG13 VAL 96 2.908 1.983 1.983 732 H GLU 97 HN GLU 97 1.860 6.243 6.243 733 HA GLU 97 HA GLU 97 3.420 6.179 6.179 734 1HB GLU 97 HB2 GLU 97 2.967 8.506 8.506 735 2HB GLU 97 HB1 GLU 97 2.953 8.172 8.172 736 1HG GLU 97 HG2 GLU 97 0.545 8.507 8.507 737 2HG GLU 97 HG1 GLU 97 1.151 9.667 9.667 738 H HIS 98 HN HIS 98 -0.045 5.917 5.917 739 HA HIS 98 HA HIS 98 -0.640 6.346 6.346 740 1HB HIS 98 HB1 HIS 98 -2.106 5.986 5.986 741 2HB HIS 98 HB2 HIS 98 -2.625 4.721 4.721 742 HD2 HIS 98 HD2 HIS 98 -4.750 7.016 7.016 743 HE1 HIS 98 HE1 HIS 98 -3.719 8.557 8.557 744 HE2 HIS 98 HE2 HIS 98 -5.349 8.712 8.712 745 H GLY 99 HN GLY 99 -0.576 3.417 3.417 746 1HA GLY 99 HA1 GLY 99 0.575 1.860 1.860 747 2HA GLY 99 HA2 GLY 99 -1.122 1.488 1.488 748 H ALA 100 HN ALA 100 -1.651 1.176 1.176 749 HA ALA 100 HA ALA 100 -1.498 -0.421 -0.421 750 1HB ALA 100 HB1 ALA 100 -0.257 1.640 1.640 751 2HB ALA 100 HB3 ALA 100 1.230 0.766 0.766 752 3HB ALA 100 HB2 ALA 100 0.112 0.130 0.130 753 H ASP 101 HN ASP 101 0.614 -1.757 -1.757 754 HA ASP 101 HA ASP 101 1.852 -3.279 -3.279 755 1HB ASP 101 HB2 ASP 101 1.236 -5.389 -5.389 756 2HB ASP 101 HB1 ASP 101 -0.227 -4.435 -4.435 757 H VAL 102 HN VAL 102 3.783 -2.161 -2.161 758 HA VAL 102 HA VAL 102 4.891 -2.826 -2.826 759 HB VAL 102 HB VAL 102 6.755 -1.221 -1.221 760 1HG1 VAL 102 HG11 VAL 102 5.929 -1.219 -1.219 761 2HG1 VAL 102 HG13 VAL 102 4.591 -0.214 -0.214 762 3HG1 VAL 102 HG12 VAL 102 6.250 0.365 0.365 763 1HG2 VAL 102 HG21 VAL 102 3.975 -0.196 -0.196 764 2HG2 VAL 102 HG23 VAL 102 5.165 -0.703 -0.703 765 3HG2 VAL 102 HG22 VAL 102 5.467 0.721 0.721 766 H ASN 103 HN ASN 103 4.674 -4.572 -4.572 767 HA ASN 103 HA ASN 103 7.526 -5.167 -5.167 768 1HB ASN 103 HB2 ASN 103 5.075 -5.762 -5.762 769 2HB ASN 103 HB1 ASN 103 6.564 -6.671 -6.671 770 1HD2 ASN 103 HD22 ASN 103 8.372 -3.746 -3.746 771 2HD2 ASN 103 HD21 ASN 103 8.546 -5.045 -5.045 772 H ALA 104 HN ALA 104 4.571 -6.385 -6.385 773 HA ALA 104 HA ALA 104 5.262 -9.129 -9.129 774 1HB ALA 104 HB2 ALA 104 2.956 -8.106 -8.106 775 2HB ALA 104 HB1 ALA 104 3.429 -7.719 -7.719 776 3HB ALA 104 HB3 ALA 104 3.376 -9.400 -9.400 777 H LEU 105 HN LEU 105 5.513 -10.293 -10.293 778 HA LEU 105 HA LEU 105 7.143 -8.774 -8.774 779 1HB LEU 105 HB1 LEU 105 7.961 -11.528 -11.528 780 2HB LEU 105 HB2 LEU 105 8.905 -10.321 -10.321 781 HG LEU 105 HG LEU 105 8.013 -9.937 -9.937 782 1HD1 LEU 105 HD13 LEU 105 9.846 -11.872 -11.872 783 2HD1 LEU 105 HD12 LEU 105 10.782 -10.579 -10.579 784 3HD1 LEU 105 HD11 LEU 105 9.513 -11.395 -11.395 785 1HD2 LEU 105 HD21 LEU 105 9.218 -8.259 -8.259 786 2HD2 LEU 105 HD23 LEU 105 9.052 -7.983 -7.983 787 3HD2 LEU 105 HD22 LEU 105 10.510 -8.745 -8.745 788 H ASP 106 HN ASP 106 7.875 -11.040 -11.040 789 HA ASP 106 HA ASP 106 5.262 -11.952 -11.952 790 1HB ASP 106 HB2 ASP 106 6.471 -10.182 -10.182 791 2HB ASP 106 HB1 ASP 106 5.892 -11.626 -11.626 792 H SER 107 HN SER 107 6.497 -13.514 -13.514 793 HA SER 107 HA SER 107 6.774 -15.967 -15.967 794 1HB SER 107 HB2 SER 107 7.782 -15.268 -15.268 795 2HB SER 107 HB1 SER 107 7.408 -16.882 -16.882 796 HG SER 107 HG SER 107 5.416 -16.541 -16.541 797 H THR 108 HN THR 108 9.185 -13.669 -13.669 798 HA THR 108 HA THR 108 11.369 -15.400 -15.400 799 HB THR 108 HB THR 108 11.682 -12.554 -12.554 800 HG1 THR 108 HG1 THR 108 11.439 -14.765 -14.765 801 1HG2 THR 108 HG23 THR 108 13.463 -14.711 -14.711 802 2HG2 THR 108 HG22 THR 108 13.484 -14.329 -14.329 803 3HG2 THR 108 HG21 THR 108 13.824 -13.070 -13.070 804 H GLY 109 HN GLY 109 9.316 -13.344 -13.344 805 1HA GLY 109 HA2 GLY 109 9.348 -12.497 -12.497 806 2HA GLY 109 HA1 GLY 109 10.894 -13.300 -13.300 807 H SER 110 HN SER 110 9.906 -10.748 -10.748 808 HA SER 110 HA SER 110 12.126 -9.116 -9.116 809 1HB SER 110 HB1 SER 110 11.161 -9.705 -9.705 810 2HB SER 110 HB2 SER 110 11.234 -7.966 -7.966 811 HG SER 110 HG SER 110 13.264 -9.788 -9.788 812 H LEU 111 HN LEU 111 11.770 -7.139 -7.139 813 HA LEU 111 HA LEU 111 9.191 -6.404 -6.404 814 1HB LEU 111 HB2 LEU 111 11.806 -4.921 -4.921 815 2HB LEU 111 HB1 LEU 111 10.346 -4.173 -4.173 816 HG LEU 111 HG LEU 111 11.385 -6.758 -6.758 817 1HD1 LEU 111 HD11 LEU 111 12.350 -3.986 -3.986 818 2HD1 LEU 111 HD13 LEU 111 12.194 -5.041 -5.041 819 3HD1 LEU 111 HD12 LEU 111 13.229 -5.514 -5.514 820 1HD2 LEU 111 HD22 LEU 111 9.011 -5.713 -5.713 821 2HD2 LEU 111 HD21 LEU 111 9.911 -6.416 -6.416 822 3HD2 LEU 111 HD23 LEU 111 9.884 -4.666 -4.666 823 HA PRO 112 HA PRO 112 7.178 -4.258 -4.258 824 1HB PRO 112 HB1 PRO 112 7.041 -1.966 -1.966 825 2HB PRO 112 HB2 PRO 112 5.760 -2.688 -2.688 826 1HG PRO 112 HG1 PRO 112 5.937 -3.225 -3.225 827 2HG PRO 112 HG2 PRO 112 5.493 -4.489 -4.489 828 1HD PRO 112 HD1 PRO 112 8.057 -4.062 -4.062 829 2HD PRO 112 HD2 PRO 112 7.296 -5.575 -5.575 830 H ILE 113 HN ILE 113 9.809 -2.734 -2.734 831 HA ILE 113 HA ILE 113 10.236 -0.606 -0.606 832 HB ILE 113 HB ILE 113 11.057 -0.481 -0.481 833 1HG1 ILE 113 HG11 ILE 113 13.351 -0.474 -0.474 834 2HG1 ILE 113 HG12 ILE 113 12.151 0.809 0.809 835 1HG2 ILE 113 HG21 ILE 113 11.647 -2.882 -2.882 836 2HG2 ILE 113 HG23 ILE 113 13.067 -2.579 -2.579 837 3HG2 ILE 113 HG22 ILE 113 12.913 -1.797 -1.797 838 1HD1 ILE 113 HD11 ILE 113 13.356 0.205 0.205 839 2HD1 ILE 113 HD13 ILE 113 14.553 0.656 0.656 840 3HD1 ILE 113 HD12 ILE 113 13.212 1.742 1.742 841 H HIS 114 HN HIS 114 11.455 -3.884 -3.884 842 HA HIS 114 HA HIS 114 13.598 -3.794 -3.794 843 1HB HIS 114 HB2 HIS 114 11.687 -6.052 -6.052 844 2HB HIS 114 HB1 HIS 114 13.167 -6.252 -6.252 845 HD2 HIS 114 HD2 HIS 114 15.107 -7.208 -7.208 846 HE1 HIS 114 HE1 HIS 114 13.946 -5.323 -5.323 847 HE2 HIS 114 HE2 HIS 114 15.530 -6.997 -6.997 848 H LEU 115 HN LEU 115 10.152 -4.186 -4.186 849 HA LEU 115 HA LEU 115 10.399 -4.787 -4.787 850 1HB LEU 115 HB1 LEU 115 7.976 -3.421 -3.421 851 2HB LEU 115 HB2 LEU 115 8.095 -4.738 -4.738 852 HG LEU 115 HG LEU 115 8.360 -4.888 -4.888 853 1HD1 LEU 115 HD11 LEU 115 6.409 -5.978 -5.978 854 2HD1 LEU 115 HD13 LEU 115 6.525 -6.588 -6.588 855 3HD1 LEU 115 HD12 LEU 115 6.092 -4.904 -4.904 856 1HD2 LEU 115 HD23 LEU 115 10.044 -6.284 -6.284 857 2HD2 LEU 115 HD22 LEU 115 9.061 -7.104 -7.104 858 3HD2 LEU 115 HD21 LEU 115 8.643 -7.234 -7.234 859 H ALA 116 HN ALA 116 9.556 -1.784 -1.784 860 HA ALA 116 HA ALA 116 9.275 -0.109 -0.109 861 1HB ALA 116 HB1 ALA 116 9.380 0.195 0.195 862 2HB ALA 116 HB3 ALA 116 10.626 1.268 1.268 863 3HB ALA 116 HB2 ALA 116 8.960 1.424 1.424 864 H ILE 117 HN ILE 117 12.158 -1.342 -1.342 865 HA ILE 117 HA ILE 117 14.057 0.401 0.401 866 HB ILE 117 HB ILE 117 14.269 -2.478 -2.478 867 1HG1 ILE 117 HG11 ILE 117 15.537 -0.074 -0.074 868 2HG1 ILE 117 HG12 ILE 117 13.860 -0.498 -0.498 869 1HG2 ILE 117 HG23 ILE 117 16.173 -0.850 -0.850 870 2HG2 ILE 117 HG22 ILE 117 16.831 -1.505 -1.505 871 3HG2 ILE 117 HG21 ILE 117 16.147 -2.589 -2.589 872 1HD1 ILE 117 HD11 ILE 117 15.167 -2.875 -2.875 873 2HD1 ILE 117 HD13 ILE 117 16.320 -1.690 -1.690 874 3HD1 ILE 117 HD12 ILE 117 14.685 -1.752 -1.752 875 H ARG 118 HN ARG 118 12.584 -2.563 -2.563 876 HA ARG 118 HA ARG 118 14.209 -2.778 -2.778 877 1HB ARG 118 HB1 ARG 118 11.392 -3.817 -3.817 878 2HB ARG 118 HB2 ARG 118 12.758 -4.498 -4.498 879 1HG ARG 118 HG2 ARG 118 13.181 -4.319 -4.319 880 2HG ARG 118 HG1 ARG 118 11.834 -5.359 -5.359 881 1HD ARG 118 HD1 ARG 118 14.027 -5.867 -5.867 882 2HD ARG 118 HD2 ARG 118 14.605 -5.926 -5.926 883 HE ARG 118 HE ARG 118 12.179 -7.415 -7.415 884 1HH1 ARG 118 HH21 ARG 118 15.642 -7.462 -7.462 885 2HH1 ARG 118 HH22 ARG 118 15.722 -9.170 -9.170 886 1HH2 ARG 118 HH11 ARG 118 12.272 -9.668 -9.668 887 2HH2 ARG 118 HH12 ARG 118 13.805 -10.424 -10.424 888 H GLU 119 HN GLU 119 11.650 -0.711 -0.711 889 HA GLU 119 HA GLU 119 10.915 -0.123 -0.123 890 1HB GLU 119 HB1 GLU 119 9.886 1.397 1.397 891 2HB GLU 119 HB2 GLU 119 9.087 1.049 1.049 892 1HG GLU 119 HG2 GLU 119 8.079 -0.689 -0.689 893 2HG GLU 119 HG1 GLU 119 9.640 -1.419 -1.419 894 H GLY 120 HN GLY 120 12.096 1.682 1.682 895 1HA GLY 120 HA2 GLY 120 13.817 3.274 3.274 896 2HA GLY 120 HA1 GLY 120 13.795 3.276 3.276 897 H HIS 121 HN HIS 121 11.012 3.722 3.722 898 HA HIS 121 HA HIS 121 10.119 6.006 6.006 899 1HB HIS 121 HB2 HIS 121 9.224 4.390 4.390 900 2HB HIS 121 HB1 HIS 121 8.885 6.101 6.101 901 HD2 HIS 121 HD2 HIS 121 7.169 3.182 3.182 902 HE1 HIS 121 HE1 HIS 121 5.802 6.469 6.469 903 HE2 HIS 121 HE2 HIS 121 5.503 3.996 3.996 904 H SER 122 HN SER 122 12.574 5.650 5.650 905 HA SER 122 HA SER 122 13.994 7.186 7.186 906 1HB SER 122 HB1 SER 122 13.016 8.590 8.590 907 2HB SER 122 HB2 SER 122 12.339 9.539 9.539 908 HG SER 122 HG SER 122 15.074 8.908 8.908 909 H SER 123 HN SER 123 10.809 8.771 8.771 910 HA SER 123 HA SER 123 11.184 9.426 9.426 911 1HB SER 123 HB1 SER 123 8.413 9.488 9.488 912 2HB SER 123 HB2 SER 123 9.533 10.846 10.846 913 HG SER 123 HG SER 123 8.691 10.861 10.861 914 H VAL 124 HN VAL 124 9.125 7.033 7.033 915 HA VAL 124 HA VAL 124 7.970 5.922 5.922 916 HB VAL 124 HB VAL 124 8.521 4.725 4.725 917 1HG1 VAL 124 HG13 VAL 124 8.451 2.931 2.931 918 2HG1 VAL 124 HG12 VAL 124 6.895 3.528 3.528 919 3HG1 VAL 124 HG11 VAL 124 7.042 2.887 2.887 920 1HG2 VAL 124 HG21 VAL 124 6.304 6.216 6.216 921 2HG2 VAL 124 HG23 VAL 124 6.848 6.191 6.191 922 3HG2 VAL 124 HG22 VAL 124 5.854 4.875 4.875 923 H VAL 125 HN VAL 125 10.668 4.597 4.597 924 HA VAL 125 HA VAL 125 11.352 2.497 2.497 925 HB VAL 125 HB VAL 125 13.397 4.152 4.152 926 1HG1 VAL 125 HG11 VAL 125 14.203 2.322 2.322 927 2HG1 VAL 125 HG13 VAL 125 13.246 1.185 1.185 928 3HG1 VAL 125 HG12 VAL 125 14.575 2.065 2.065 929 1HG2 VAL 125 HG21 VAL 125 11.186 2.488 2.488 930 2HG2 VAL 125 HG23 VAL 125 12.009 3.868 3.868 931 3HG2 VAL 125 HG22 VAL 125 12.764 2.275 2.275 932 H SER 126 HN SER 126 12.557 5.840 5.840 933 HA SER 126 HA SER 126 14.290 5.399 5.399 934 1HB SER 126 HB2 SER 126 14.402 7.873 7.873 935 2HB SER 126 HB1 SER 126 14.666 7.262 7.262 936 HG SER 126 HG SER 126 13.093 8.529 8.529 937 H PHE 127 HN PHE 127 10.948 6.344 6.344 938 HA PHE 127 HA PHE 127 10.633 7.149 7.149 939 1HB PHE 127 HB2 PHE 127 9.052 8.077 8.077 940 2HB PHE 127 HB1 PHE 127 8.723 6.529 6.529 941 HD1 PHE 127 HD1 PHE 127 8.551 8.016 8.016 942 HD2 PHE 127 HD2 PHE 127 6.699 5.568 5.568 943 HE1 PHE 127 HE1 PHE 127 6.616 7.684 7.684 944 HE2 PHE 127 HE2 PHE 127 4.761 5.232 5.232 945 HZ PHE 127 HZ PHE 127 4.719 6.291 6.291 946 H LEU 128 HN LEU 128 10.046 4.164 4.164 947 HA LEU 128 HA LEU 128 8.728 2.753 2.753 948 1HB LEU 128 HB2 LEU 128 9.581 2.240 2.240 949 2HB LEU 128 HB1 LEU 128 10.396 1.041 1.041 950 HG LEU 128 HG LEU 128 8.252 0.228 0.228 951 1HD1 LEU 128 HD13 LEU 128 8.822 0.414 0.414 952 2HD1 LEU 128 HD12 LEU 128 7.235 -0.191 -0.191 953 3HD1 LEU 128 HD11 LEU 128 8.692 -1.001 -1.001 954 1HD2 LEU 128 HD21 LEU 128 7.239 2.620 2.620 955 2HD2 LEU 128 HD23 LEU 128 6.211 1.198 1.198 956 3HD2 LEU 128 HD22 LEU 128 6.790 2.049 2.049 957 H ALA 129 HN ALA 129 11.917 3.821 3.821 958 HA ALA 129 HA ALA 129 13.269 1.714 1.714 959 1HB ALA 129 HB1 ALA 129 13.942 4.225 4.225 960 2HB ALA 129 HB3 ALA 129 14.431 4.256 4.256 961 3HB ALA 129 HB2 ALA 129 15.033 2.989 2.989 962 HA PRO 130 HA PRO 130 12.752 4.322 4.322 963 1HB PRO 130 HB2 PRO 130 10.767 6.237 6.237 964 2HB PRO 130 HB1 PRO 130 12.493 6.561 6.561 965 1HG PRO 130 HG1 PRO 130 10.408 6.190 6.190 966 2HG PRO 130 HG2 PRO 130 11.749 7.350 7.350 967 1HD PRO 130 HD2 PRO 130 11.880 5.146 5.146 968 2HD PRO 130 HD1 PRO 130 13.310 5.768 5.768 969 H GLU 131 HN GLU 131 9.904 3.868 3.868 970 HA GLU 131 HA GLU 131 8.319 2.981 2.981 971 1HB GLU 131 HB1 GLU 131 7.535 3.099 3.099 972 2HB GLU 131 HB2 GLU 131 6.455 2.907 2.907 973 1HG GLU 131 HG2 GLU 131 6.392 5.098 5.098 974 2HG GLU 131 HG1 GLU 131 8.125 5.294 5.294 975 H SER 132 HN SER 132 10.602 1.400 1.400 976 HA SER 132 HA SER 132 9.270 -1.156 -1.156 977 1HB SER 132 HB2 SER 132 10.763 -1.931 -1.931 978 2HB SER 132 HB1 SER 132 9.838 -0.528 -0.528 979 HG SER 132 HG SER 132 12.494 -0.447 -0.447 980 H ASP 133 HN ASP 133 10.314 -0.226 -0.226 981 HA ASP 133 HA ASP 133 11.996 -0.435 -0.435 982 1HB ASP 133 HB1 ASP 133 12.342 -3.263 -3.263 983 2HB ASP 133 HB2 ASP 133 10.703 -2.748 -2.748 984 H LEU 134 HN LEU 134 13.635 0.849 0.849 985 HA LEU 134 HA LEU 134 15.446 0.063 0.063 986 1HB LEU 134 HB1 LEU 134 15.687 1.950 1.950 987 2HB LEU 134 HB2 LEU 134 16.971 1.740 1.740 988 HG LEU 134 HG LEU 134 14.180 2.675 2.675 989 1HD1 LEU 134 HD11 LEU 134 16.364 4.081 4.081 990 2HD1 LEU 134 HD13 LEU 134 16.176 4.620 4.620 991 3HD1 LEU 134 HD12 LEU 134 14.813 4.715 4.715 992 1HD2 LEU 134 HD21 LEU 134 16.226 1.594 1.594 993 2HD2 LEU 134 HD23 LEU 134 14.690 2.306 2.306 994 3HD2 LEU 134 HD22 LEU 134 16.124 3.322 3.322 995 H HIS 135 HN HIS 135 17.388 -0.993 -0.993 996 HA HIS 135 HA HIS 135 19.208 -2.152 -2.152 997 1HB HIS 135 HB2 HIS 135 18.871 -0.724 -0.724 998 2HB HIS 135 HB1 HIS 135 18.012 -2.121 -2.121 999 HD2 HIS 135 HD2 HIS 135 21.556 -1.719 -1.719 1000 HE1 HIS 135 HE1 HIS 135 21.832 -4.213 -4.213 1001 HE2 HIS 135 HE2 HIS 135 23.072 -3.294 -3.294 1002 H HIS 136 HN HIS 136 15.946 -2.925 -2.925 1003 HA HIS 136 HA HIS 136 16.017 -5.516 -5.516 1004 1HB HIS 136 HB1 HIS 136 13.960 -4.144 -4.144 1005 2HB HIS 136 HB2 HIS 136 14.129 -4.502 -4.502 1006 HD2 HIS 136 HD2 HIS 136 12.882 -6.734 -6.734 1007 HE1 HIS 136 HE1 HIS 136 12.354 -8.450 -8.450 1008 HE2 HIS 136 HE2 HIS 136 11.704 -8.585 -8.585 1009 H ARG 137 HN ARG 137 15.441 -7.505 -7.505 1010 HA ARG 137 HA ARG 137 17.155 -7.586 -7.586 1011 1HB ARG 137 HB1 ARG 137 17.096 -9.267 -9.267 1012 2HB ARG 137 HB2 ARG 137 17.038 -10.188 -10.188 1013 1HG ARG 137 HG2 ARG 137 19.179 -9.773 -9.773 1014 2HG ARG 137 HG1 ARG 137 19.040 -8.070 -8.070 1015 1HD ARG 137 HD2 ARG 137 18.832 -9.423 -9.423 1016 2HD ARG 137 HD1 ARG 137 20.077 -10.304 -10.304 1017 HE ARG 137 HE ARG 137 20.428 -7.452 -7.452 1018 1HH1 ARG 137 HH21 ARG 137 21.043 -10.385 -10.385 1019 2HH1 ARG 137 HH22 ARG 137 22.422 -9.745 -9.745 1020 1HH2 ARG 137 HH11 ARG 137 22.240 -6.599 -6.599 1021 2HH2 ARG 137 HH12 ARG 137 23.102 -7.592 -7.592 1022 H ASP 138 HN ASP 138 16.569 -10.061 -10.061 1023 HA ASP 138 HA ASP 138 13.672 -10.267 -10.267 1024 1HB ASP 138 HB2 ASP 138 15.547 -9.712 -9.712 1025 2HB ASP 138 HB1 ASP 138 13.932 -10.380 -10.380 1026 H ALA 139 HN ALA 139 13.124 -12.192 -12.192 1027 HA ALA 139 HA ALA 139 14.397 -14.491 -14.491 1028 1HB ALA 139 HB1 ALA 139 11.959 -14.069 -14.069 1029 2HB ALA 139 HB3 ALA 139 12.715 -14.768 -14.768 1030 3HB ALA 139 HB2 ALA 139 12.686 -15.675 -15.675 1031 H SER 140 HN SER 140 15.356 -12.449 -12.449 1032 HA SER 140 HA SER 140 16.856 -14.584 -14.584 1033 1HB SER 140 HB1 SER 140 16.834 -13.316 -13.316 1034 2HB SER 140 HB2 SER 140 15.203 -13.138 -13.138 1035 HG SER 140 HG SER 140 16.602 -11.192 -11.192 1036 H GLY 141 HN GLY 141 17.226 -12.334 -12.334 1037 1HA GLY 141 HA2 GLY 141 19.055 -11.341 -11.341 1038 2HA GLY 141 HA1 GLY 141 20.032 -12.440 -12.440 1039 H LEU 142 HN LEU 142 17.815 -9.970 -9.970 1040 HA LEU 142 HA LEU 142 20.141 -8.545 -8.545 1041 1HB LEU 142 HB1 LEU 142 17.476 -9.198 -9.198 1042 2HB LEU 142 HB2 LEU 142 18.407 -7.829 -7.829 1043 HG LEU 142 HG LEU 142 19.377 -10.689 -10.689 1044 1HD1 LEU 142 HD13 LEU 142 17.481 -10.124 -10.124 1045 2HD1 LEU 142 HD12 LEU 142 18.616 -9.043 -9.043 1046 3HD1 LEU 142 HD11 LEU 142 18.949 -10.773 -10.773 1047 1HD2 LEU 142 HD23 LEU 142 20.866 -8.385 -8.385 1048 2HD2 LEU 142 HD22 LEU 142 21.388 -9.952 -9.952 1049 3HD2 LEU 142 HD21 LEU 142 20.704 -8.756 -8.756 1050 H THR 143 HN THR 143 20.051 -7.290 -7.290 1051 HA THR 143 HA THR 143 17.947 -5.819 -5.819 1052 HB THR 143 HB THR 143 19.743 -4.105 -4.105 1053 HG1 THR 143 HG1 THR 143 21.088 -5.400 -5.400 1054 1HG2 THR 143 HG21 THR 143 19.909 -6.999 -6.999 1055 2HG2 THR 143 HG23 THR 143 20.983 -5.795 -5.795 1056 3HG2 THR 143 HG22 THR 143 19.239 -5.652 -5.652 1057 HA PRO 144 HA PRO 144 16.593 -2.629 -2.629 1058 1HB PRO 144 HB1 PRO 144 17.664 -0.657 -0.657 1059 2HB PRO 144 HB2 PRO 144 16.067 -0.740 -0.740 1060 1HG PRO 144 HG2 PRO 144 16.422 -1.537 -1.537 1061 2HG PRO 144 HG1 PRO 144 15.339 -2.422 -2.422 1062 1HD PRO 144 HD2 PRO 144 18.061 -3.145 -3.145 1063 2HD PRO 144 HD1 PRO 144 16.687 -4.194 -4.194 1064 H LEU 145 HN LEU 145 19.778 -2.071 -2.071 1065 HA LEU 145 HA LEU 145 20.679 -0.291 -0.291 1066 1HB LEU 145 HB2 LEU 145 21.560 -0.737 -0.737 1067 2HB LEU 145 HB1 LEU 145 22.567 -1.926 -1.926 1068 HG LEU 145 HG LEU 145 22.508 1.030 1.030 1069 1HD1 LEU 145 HD13 LEU 145 24.212 -0.685 -0.685 1070 2HD1 LEU 145 HD12 LEU 145 24.993 0.602 0.602 1071 3HD1 LEU 145 HD11 LEU 145 23.700 0.989 0.989 1072 1HD2 LEU 145 HD21 LEU 145 23.575 -1.273 -1.273 1073 2HD2 LEU 145 HD23 LEU 145 23.290 0.378 0.378 1074 3HD2 LEU 145 HD22 LEU 145 24.774 -0.018 -0.018 1075 H GLU 146 HN GLU 146 21.053 -3.761 -3.761 1076 HA GLU 146 HA GLU 146 22.835 -4.237 -4.237 1077 1HB GLU 146 HB2 GLU 146 21.220 -5.868 -5.868 1078 2HB GLU 146 HB1 GLU 146 21.561 -6.625 -6.625 1079 1HG GLU 146 HG2 GLU 146 23.545 -7.211 -7.211 1080 2HG GLU 146 HG1 GLU 146 23.980 -5.507 -5.507 1081 H LEU 147 HN LEU 147 19.299 -4.610 -4.610 1082 HA LEU 147 HA LEU 147 18.793 -5.612 -5.612 1083 1HB LEU 147 HB2 LEU 147 17.252 -4.755 -4.755 1084 2HB LEU 147 HB1 LEU 147 16.899 -3.545 -3.545 1085 HG LEU 147 HG LEU 147 15.382 -5.630 -5.630 1086 1HD1 LEU 147 HD13 LEU 147 16.506 -4.359 -4.359 1087 2HD1 LEU 147 HD12 LEU 147 15.402 -5.722 -5.722 1088 3HD1 LEU 147 HD11 LEU 147 14.879 -4.270 -4.270 1089 1HD2 LEU 147 HD21 LEU 147 17.673 -7.017 -7.017 1090 2HD2 LEU 147 HD23 LEU 147 16.103 -7.642 -7.642 1091 3HD2 LEU 147 HD22 LEU 147 17.200 -6.945 -6.945 1092 H ALA 148 HN ALA 148 19.329 -2.294 -2.294 1093 HA ALA 148 HA ALA 148 18.724 -1.004 -1.004 1094 1HB ALA 148 HB3 ALA 148 20.078 -0.325 -0.325 1095 2HB ALA 148 HB2 ALA 148 20.674 0.561 0.561 1096 3HB ALA 148 HB1 ALA 148 18.963 0.627 0.627 1097 H ARG 149 HN ARG 149 21.772 -2.291 -2.291 1098 HA ARG 149 HA ARG 149 23.456 -1.503 -1.503 1099 1HB ARG 149 HB1 ARG 149 24.482 -2.347 -2.347 1100 2HB ARG 149 HB2 ARG 149 23.537 -3.830 -3.830 1101 1HG ARG 149 HG1 ARG 149 25.746 -4.383 -4.383 1102 2HG ARG 149 HG2 ARG 149 24.752 -4.432 -4.432 1103 1HD ARG 149 HD1 ARG 149 25.636 -2.423 -2.423 1104 2HD ARG 149 HD2 ARG 149 26.274 -1.965 -1.965 1105 HE ARG 149 HE ARG 149 27.545 -3.623 -3.623 1106 1HH1 ARG 149 HH11 ARG 149 27.323 -2.891 -2.891 1107 2HH1 ARG 149 HH12 ARG 149 28.909 -3.483 -3.483 1108 1HH2 ARG 149 HH21 ARG 149 29.636 -4.407 -4.407 1109 2HH2 ARG 149 HH22 ARG 149 30.224 -4.344 -4.344 1110 H GLN 150 HN GLN 150 21.162 -4.106 -4.106 1111 HA GLN 150 HA GLN 150 22.068 -5.566 -5.566 1112 1HB GLN 150 HB2 GLN 150 20.494 -6.265 -6.265 1113 2HB GLN 150 HB1 GLN 150 19.229 -5.698 -5.698 1114 1HG GLN 150 HG2 GLN 150 19.414 -7.461 -7.461 1115 2HG GLN 150 HG1 GLN 150 21.173 -7.502 -7.502 1116 1HE2 GLN 150 HE22 GLN 150 20.989 -10.365 -10.365 1117 2HE2 GLN 150 HE21 GLN 150 21.670 -9.502 -9.502 1118 H ARG 151 HN ARG 151 18.898 -3.987 -3.987 1119 HA ARG 151 HA ARG 151 18.694 -3.509 -3.509 1120 1HB ARG 151 HB2 ARG 151 16.961 -2.281 -2.281 1121 2HB ARG 151 HB1 ARG 151 16.543 -2.606 -2.606 1122 1HG ARG 151 HG1 ARG 151 16.769 -4.511 -4.511 1123 2HG ARG 151 HG2 ARG 151 15.434 -4.272 -4.272 1124 1HD ARG 151 HD2 ARG 151 18.123 -5.361 -5.361 1125 2HD ARG 151 HD1 ARG 151 16.766 -6.378 -6.378 1126 HE ARG 151 HE ARG 151 15.776 -4.754 -4.754 1127 1HH1 ARG 151 HH21 ARG 151 18.389 -7.038 -7.038 1128 2HH1 ARG 151 HH22 ARG 151 18.338 -7.494 -7.494 1129 1HH2 ARG 151 HH11 ARG 151 15.700 -5.344 -5.344 1130 2HH2 ARG 151 HH12 ARG 151 16.810 -6.529 -6.529 1131 H GLY 152 HN GLY 152 20.807 -2.313 -2.313 1132 1HA GLY 152 HA1 GLY 152 21.094 0.202 0.202 1133 2HA GLY 152 HA2 GLY 152 22.014 -0.373 -0.373 1134 H ALA 153 HN ALA 153 18.571 0.442 0.442 1135 HA ALA 153 HA ALA 153 18.124 1.493 1.493 1136 1HB ALA 153 HB1 ALA 153 16.376 0.993 0.993 1137 2HB ALA 153 HB3 ALA 153 16.835 2.481 2.481 1138 3HB ALA 153 HB2 ALA 153 16.168 2.549 2.549 1139 H GLN 154 HN GLN 154 19.597 2.868 2.868 1140 HA GLN 154 HA GLN 154 21.102 4.794 4.794 1141 1HB GLN 154 HB1 GLN 154 19.948 6.875 6.875 1142 2HB GLN 154 HB2 GLN 154 18.895 5.833 5.833 1143 1HG GLN 154 HG1 GLN 154 18.701 6.338 6.338 1144 2HG GLN 154 HG2 GLN 154 17.653 7.012 7.012 1145 1HE2 GLN 154 HE22 GLN 154 16.694 3.588 3.588 1146 2HE2 GLN 154 HE21 GLN 154 17.798 4.757 4.757 1147 H ASN 155 HN ASN 155 20.572 6.848 6.848 1148 HA ASN 155 HA ASN 155 22.263 5.648 5.648 1149 1HB ASN 155 HB1 ASN 155 20.827 8.309 8.309 1150 2HB ASN 155 HB2 ASN 155 22.166 7.813 7.813 1151 1HD2 ASN 155 HD22 ASN 155 24.442 7.825 7.825 1152 2HD2 ASN 155 HD21 ASN 155 23.887 6.667 6.667 1153 H LEU 156 HN LEU 156 19.937 4.103 4.103 1154 HA LEU 156 HA LEU 156 18.093 4.934 4.934 1155 1HB LEU 156 HB1 LEU 156 17.525 2.358 2.358 1156 2HB LEU 156 HB2 LEU 156 16.995 3.489 3.489 1157 HG LEU 156 HG LEU 156 18.689 2.764 2.764 1158 1HD1 LEU 156 HD23 LEU 156 19.853 1.506 1.506 1159 2HD1 LEU 156 HD22 LEU 156 20.137 0.753 0.753 1160 3HD1 LEU 156 HD21 LEU 156 20.641 2.418 2.418 1161 1HD2 LEU 156 HD13 LEU 156 16.711 1.061 1.061 1162 2HD2 LEU 156 HD12 LEU 156 17.447 1.006 1.006 1163 3HD2 LEU 156 HD11 LEU 156 18.139 0.065 0.065 1164 H MET 157 HN MET 157 21.020 3.033 3.033 1165 HA MET 157 HA MET 157 20.653 1.842 1.842 1166 1HB MET 157 HB2 MET 157 22.721 0.938 0.938 1167 2HB MET 157 HB1 MET 157 22.383 1.418 1.418 1168 1HG MET 157 HG1 MET 157 23.682 3.438 3.438 1169 2HG MET 157 HG2 MET 157 23.979 3.034 3.034 1170 1HE MET 157 HE3 MET 157 23.802 -0.174 -0.174 1171 2HE MET 157 HE2 MET 157 25.488 -0.682 -0.682 1172 3HE MET 157 HE1 MET 157 24.659 -0.085 -0.085 1173 H ASP 158 HN ASP 158 21.761 4.950 4.950 1174 HA ASP 158 HA ASP 158 22.984 5.717 5.717 1175 1HB ASP 158 HB1 ASP 158 22.028 7.910 7.910 1176 2HB ASP 158 HB2 ASP 158 22.979 6.722 6.722 1177 H ILE 159 HN ILE 159 19.856 6.409 6.409 1178 HA ILE 159 HA ILE 159 18.832 8.176 8.176 1179 HB ILE 159 HB ILE 159 16.748 6.324 6.324 1180 1HG1 ILE 159 HG12 ILE 159 18.443 7.456 7.456 1181 2HG1 ILE 159 HG11 ILE 159 18.311 5.751 5.751 1182 1HG2 ILE 159 HG21 ILE 159 17.414 9.207 9.207 1183 2HG2 ILE 159 HG23 ILE 159 16.016 8.468 8.468 1184 3HG2 ILE 159 HG22 ILE 159 16.133 8.496 8.496 1185 1HD1 ILE 159 HD13 ILE 159 16.031 7.474 7.474 1186 2HD1 ILE 159 HD12 ILE 159 16.953 6.364 6.364 1187 3HD1 ILE 159 HD11 ILE 159 15.981 5.743 5.743 1188 H LEU 160 HN LEU 160 18.914 4.649 4.649 1189 HA LEU 160 HA LEU 160 17.382 4.494 4.494 1190 1HB LEU 160 HB2 LEU 160 19.187 2.260 2.260 1191 2HB LEU 160 HB1 LEU 160 17.458 2.267 2.267 1192 HG LEU 160 HG LEU 160 18.882 2.781 2.781 1193 1HD1 LEU 160 HD11 LEU 160 17.590 0.521 0.521 1194 2HD1 LEU 160 HD13 LEU 160 16.749 0.988 0.988 1195 3HD1 LEU 160 HD12 LEU 160 18.474 0.624 0.624 1196 1HD2 LEU 160 HD21 LEU 160 16.235 3.685 3.685 1197 2HD2 LEU 160 HD23 LEU 160 17.286 4.313 4.313 1198 3HD2 LEU 160 HD22 LEU 160 16.284 2.895 2.895 1199 H GLN 161 HN GLN 161 20.827 4.438 4.438 1200 HA GLN 161 HA GLN 161 21.782 3.854 3.854 1201 1HB GLN 161 HB2 GLN 161 22.875 4.812 4.812 1202 2HB GLN 161 HB1 GLN 161 23.713 5.467 5.467 1203 1HG GLN 161 HG2 GLN 161 23.952 3.117 3.117 1204 2HG GLN 161 HG1 GLN 161 23.337 2.578 2.578 1205 1HE2 GLN 161 HE22 GLN 161 26.313 4.351 4.351 1206 2HE2 GLN 161 HE21 GLN 161 24.635 4.756 4.756 1207 H GLY 162 HN GLY 162 21.502 7.013 7.013 1208 1HA GLY 162 HA2 GLY 162 22.268 8.569 8.569 1209 2HA GLY 162 HA1 GLY 162 21.316 9.139 9.139 1210 H HIS 163 HN HIS 163 19.098 7.391 7.391 1211 HA HIS 163 HA HIS 163 17.654 8.885 8.885 1212 1HB HIS 163 HB2 HIS 163 16.879 6.465 6.465 1213 2HB HIS 163 HB1 HIS 163 15.765 7.370 7.370 1214 HD2 HIS 163 HD2 HIS 163 14.478 7.752 7.752 1215 HE1 HIS 163 HE1 HIS 163 17.165 10.871 10.871 1216 HE2 HIS 163 HE2 HIS 163 15.053 9.649 9.649 1217 H MET 164 HN MET 164 19.642 6.186 6.186 1218 HA MET 164 HA MET 164 18.232 4.983 4.983 1219 1HB MET 164 HB1 MET 164 20.013 4.025 4.025 1220 2HB MET 164 HB2 MET 164 20.873 3.913 3.913 1221 1HG MET 164 HG2 MET 164 18.961 2.667 2.667 1222 2HG MET 164 HG1 MET 164 18.191 2.711 2.711 1223 1HE MET 164 HE3 MET 164 18.716 1.630 1.630 1224 2HE MET 164 HE2 MET 164 20.439 1.614 1.614 1225 3HE MET 164 HE1 MET 164 19.579 0.096 0.096 1226 H MET 165 HN MET 165 20.045 4.205 4.205 1227 HA MET 165 HA MET 165 21.541 6.604 6.604 1228 1HB MET 165 HB2 MET 165 19.220 5.659 5.659 1229 2HB MET 165 HB1 MET 165 20.537 5.117 5.117 1230 1HG MET 165 HG1 MET 165 21.272 7.302 7.302 1231 2HG MET 165 HG2 MET 165 20.333 7.955 7.955 1232 1HE MET 165 HE3 MET 165 20.300 5.992 5.992 1233 2HE MET 165 HE2 MET 165 19.746 7.289 7.289 1234 3HE MET 165 HE1 MET 165 18.632 6.010 6.010 1235 H ILE 166 HN ILE 166 22.354 4.078 4.078 1236 HA ILE 166 HA ILE 166 23.513 2.242 2.242 1237 HB ILE 166 HB ILE 166 25.163 1.810 1.810 1238 1HG1 ILE 166 HG12 ILE 166 23.830 4.228 4.228 1239 2HG1 ILE 166 HG11 ILE 166 25.536 4.036 4.036 1240 1HG2 ILE 166 HG23 ILE 166 22.553 1.203 1.203 1241 2HG2 ILE 166 HG22 ILE 166 22.606 2.086 2.086 1242 3HG2 ILE 166 HG21 ILE 166 23.632 0.672 0.672 1243 1HD1 ILE 166 HD12 ILE 166 25.530 2.124 2.124 1244 2HD1 ILE 166 HD11 ILE 166 23.976 2.767 2.767 1245 3HD1 ILE 166 HD13 ILE 166 25.424 3.770 3.770 1246 HA PRO 167 HA PRO 167 26.396 4.948 4.948 1247 1HB PRO 167 HB2 PRO 167 27.238 2.384 2.384 1248 2HB PRO 167 HB1 PRO 167 26.675 3.863 3.863 1249 1HG PRO 167 HG2 PRO 167 25.133 1.678 1.678 1250 2HG PRO 167 HG1 PRO 167 24.444 3.307 3.307 1251 1HD PRO 167 HD1 PRO 167 25.014 1.298 1.298 1252 2HD PRO 167 HD2 PRO 167 23.620 2.383 2.383 1253 H MET 168 HN MET 168 26.979 2.376 2.376 1254 HA MET 168 HA MET 168 29.823 2.267 2.267 1255 1HB MET 168 HB2 MET 168 27.970 1.407 1.407 1256 2HB MET 168 HB1 MET 168 29.688 1.038 1.038 1257 1HG MET 168 HG1 MET 168 29.239 -0.118 -0.118 1258 2HG MET 168 HG2 MET 168 27.521 0.076 0.076 1259 1HE MET 168 HE1 MET 168 30.366 -2.089 -2.089 1260 2HE MET 168 HE3 MET 168 28.894 -2.931 -2.931 1261 3HE MET 168 HE2 MET 168 29.801 -3.479 -3.479 Start of MODEL 4 1 1H GLY 1 HT3 GLY 1 -36.675 -18.025 -18.025 2 2H GLY 1 HT2 GLY 1 -36.083 -17.346 -17.346 3 3H GLY 1 HT1 GLY 1 -37.461 -18.326 -18.326 4 1HA GLY 1 HA2 GLY 1 -36.286 -20.187 -20.187 5 2HA GLY 1 HA1 GLY 1 -34.914 -19.143 -19.143 6 H SER 2 HN SER 2 -33.390 -20.442 -20.442 7 HA SER 2 HA SER 2 -33.337 -20.280 -20.280 8 1HB SER 2 HB1 SER 2 -34.437 -22.464 -22.464 9 2HB SER 2 HB2 SER 2 -32.954 -22.940 -22.940 10 HG SER 2 HG SER 2 -33.204 -22.260 -22.260 11 H MET 3 HN MET 3 -31.618 -21.809 -21.809 12 HA MET 3 HA MET 3 -29.080 -20.938 -20.938 13 1HB MET 3 HB2 MET 3 -29.670 -22.866 -22.866 14 2HB MET 3 HB1 MET 3 -28.056 -22.448 -22.448 15 1HG MET 3 HG1 MET 3 -28.921 -23.238 -23.238 16 2HG MET 3 HG2 MET 3 -30.171 -24.048 -24.048 17 1HE MET 3 HE1 MET 3 -30.190 -25.986 -25.986 18 2HE MET 3 HE3 MET 3 -28.985 -26.839 -26.839 19 3HE MET 3 HE2 MET 3 -29.058 -27.093 -27.093 20 H LEU 4 HN LEU 4 -28.383 -19.008 -19.008 21 HA LEU 4 HA LEU 4 -27.612 -18.318 -18.318 22 1HB LEU 4 HB2 LEU 4 -29.442 -16.575 -16.575 23 2HB LEU 4 HB1 LEU 4 -29.741 -18.254 -18.254 24 HG LEU 4 HG LEU 4 -31.134 -18.520 -18.520 25 1HD1 LEU 4 HD12 LEU 4 -29.911 -16.964 -16.964 26 2HD1 LEU 4 HD11 LEU 4 -30.572 -15.609 -15.609 27 3HD1 LEU 4 HD13 LEU 4 -31.649 -16.661 -16.661 28 1HD2 LEU 4 HD22 LEU 4 -31.682 -16.464 -16.464 29 2HD2 LEU 4 HD21 LEU 4 -32.593 -17.911 -17.911 30 3HD2 LEU 4 HD23 LEU 4 -32.737 -16.453 -16.453 31 H LEU 5 HN LEU 5 -26.634 -17.961 -17.961 32 HA LEU 5 HA LEU 5 -27.025 -15.180 -15.180 33 1HB LEU 5 HB2 LEU 5 -24.938 -16.906 -16.906 34 2HB LEU 5 HB1 LEU 5 -25.938 -15.666 -15.666 35 HG LEU 5 HG LEU 5 -26.787 -18.464 -18.464 36 1HD1 LEU 5 HD13 LEU 5 -25.449 -18.239 -18.239 37 2HD1 LEU 5 HD12 LEU 5 -26.635 -17.091 -17.091 38 3HD1 LEU 5 HD11 LEU 5 -27.103 -18.764 -18.764 39 1HD2 LEU 5 HD22 LEU 5 -28.355 -16.034 -16.034 40 2HD2 LEU 5 HD21 LEU 5 -28.744 -17.359 -17.359 41 3HD2 LEU 5 HD23 LEU 5 -28.886 -17.588 -17.588 42 H GLU 6 HN GLU 6 -25.941 -13.637 -13.637 43 HA GLU 6 HA GLU 6 -23.255 -14.236 -14.236 44 1HB GLU 6 HB1 GLU 6 -25.546 -12.854 -12.854 45 2HB GLU 6 HB2 GLU 6 -24.095 -11.863 -11.863 46 1HG GLU 6 HG1 GLU 6 -24.127 -14.688 -14.688 47 2HG GLU 6 HG2 GLU 6 -24.572 -13.318 -13.318 48 H GLU 7 HN GLU 7 -25.143 -12.140 -12.140 49 HA GLU 7 HA GLU 7 -24.613 -10.272 -10.272 50 1HB GLU 7 HB2 GLU 7 -22.094 -11.879 -11.879 51 2HB GLU 7 HB1 GLU 7 -22.739 -10.628 -10.628 52 1HG GLU 7 HG2 GLU 7 -23.144 -13.264 -13.264 53 2HG GLU 7 HG1 GLU 7 -24.231 -12.005 -12.005 54 H VAL 8 HN VAL 8 -24.393 -9.135 -9.135 55 HA VAL 8 HA VAL 8 -21.719 -7.924 -7.924 56 HB VAL 8 HB VAL 8 -21.703 -9.344 -9.344 57 1HG1 VAL 8 HG23 VAL 8 -24.421 -9.309 -9.309 58 2HG1 VAL 8 HG22 VAL 8 -24.135 -8.374 -8.374 59 3HG1 VAL 8 HG21 VAL 8 -23.495 -10.012 -10.012 60 1HG2 VAL 8 HG11 VAL 8 -21.048 -6.953 -6.953 61 2HG2 VAL 8 HG13 VAL 8 -21.524 -7.830 -7.830 62 3HG2 VAL 8 HG12 VAL 8 -22.645 -6.695 -6.695 63 H CYS 9 HN CYS 9 -25.021 -7.586 -7.586 64 HA CYS 9 HA CYS 9 -26.232 -5.703 -5.703 65 1HB CYS 9 HB2 CYS 9 -25.310 -5.298 -5.298 66 2HB CYS 9 HB1 CYS 9 -26.406 -4.163 -4.163 67 HG CYS 9 HG CYS 9 -27.628 -6.838 -6.838 68 H VAL 10 HN VAL 10 -24.150 -3.837 -3.837 69 HA VAL 10 HA VAL 10 -23.497 -2.098 -2.098 70 HB VAL 10 HB VAL 10 -24.411 -1.235 -1.235 71 1HG1 VAL 10 HG12 VAL 10 -22.464 -2.687 -2.687 72 2HG1 VAL 10 HG11 VAL 10 -21.635 -1.135 -1.135 73 3HG1 VAL 10 HG13 VAL 10 -23.160 -1.253 -1.253 74 1HG2 VAL 10 HG21 VAL 10 -23.478 0.212 0.212 75 2HG2 VAL 10 HG23 VAL 10 -23.070 0.801 0.801 76 3HG2 VAL 10 HG22 VAL 10 -21.860 -0.048 -0.048 77 H GLY 11 HN GLY 11 -22.192 -4.744 -4.744 78 1HA GLY 11 HA2 GLY 11 -19.509 -4.148 -4.148 79 2HA GLY 11 HA1 GLY 11 -20.075 -5.665 -5.665 80 H ASP 12 HN ASP 12 -21.184 -3.669 -3.669 81 HA ASP 12 HA ASP 12 -18.642 -3.407 -3.407 82 1HB ASP 12 HB2 ASP 12 -19.646 -4.227 -4.227 83 2HB ASP 12 HB1 ASP 12 -19.974 -5.404 -5.404 84 H ARG 13 HN ARG 13 -20.411 -1.518 -1.518 85 HA ARG 13 HA ARG 13 -21.226 0.268 0.268 86 1HB ARG 13 HB1 ARG 13 -23.010 -0.084 -0.084 87 2HB ARG 13 HB2 ARG 13 -21.957 0.172 0.172 88 1HG ARG 13 HG2 ARG 13 -22.382 2.343 2.343 89 2HG ARG 13 HG1 ARG 13 -21.934 2.483 2.483 90 1HD ARG 13 HD1 ARG 13 -24.191 1.699 1.699 91 2HD ARG 13 HD2 ARG 13 -24.626 1.669 1.669 92 HE ARG 13 HE ARG 13 -23.639 4.220 4.220 93 1HH1 ARG 13 HH21 ARG 13 -26.446 2.161 2.161 94 2HH1 ARG 13 HH22 ARG 13 -27.569 3.475 3.475 95 1HH2 ARG 13 HH11 ARG 13 -25.110 5.962 5.962 96 2HH2 ARG 13 HH12 ARG 13 -26.810 5.635 5.635 97 H LEU 14 HN LEU 14 -19.900 0.709 0.709 98 HA LEU 14 HA LEU 14 -18.617 3.154 3.154 99 1HB LEU 14 HB2 LEU 14 -19.154 2.969 2.969 100 2HB LEU 14 HB1 LEU 14 -18.579 1.316 1.316 101 HG LEU 14 HG LEU 14 -17.208 3.093 3.093 102 1HD1 LEU 14 HD12 LEU 14 -16.492 0.736 0.736 103 2HD1 LEU 14 HD11 LEU 14 -15.260 1.885 1.885 104 3HD1 LEU 14 HD13 LEU 14 -15.545 1.616 1.616 105 1HD2 LEU 14 HD21 LEU 14 -17.130 4.124 4.124 106 2HD2 LEU 14 HD23 LEU 14 -16.623 4.879 4.879 107 3HD2 LEU 14 HD22 LEU 14 -15.506 3.841 3.841 108 H SER 15 HN SER 15 -17.525 -0.189 -0.189 109 HA SER 15 HA SER 15 -14.776 0.218 0.218 110 1HB SER 15 HB1 SER 15 -16.069 -2.134 -2.134 111 2HB SER 15 HB2 SER 15 -14.597 -2.072 -2.072 112 HG SER 15 HG SER 15 -16.856 -2.878 -2.878 113 H GLY 16 HN GLY 16 -17.286 0.285 0.285 114 1HA GLY 16 HA2 GLY 16 -15.562 0.089 0.089 115 2HA GLY 16 HA1 GLY 16 -17.230 0.644 0.644 116 H ALA 17 HN ALA 17 -16.854 2.773 2.773 117 HA ALA 17 HA ALA 17 -16.036 4.824 4.824 118 1HB ALA 17 HB2 ALA 17 -16.850 4.773 4.773 119 2HB ALA 17 HB1 ALA 17 -16.256 6.254 6.254 120 3HB ALA 17 HB3 ALA 17 -17.699 5.462 5.462 121 H ALA 18 HN ALA 18 -14.667 3.770 3.770 122 HA ALA 18 HA ALA 18 -12.383 5.349 5.349 123 1HB ALA 18 HB1 ALA 18 -13.428 3.503 3.503 124 2HB ALA 18 HB3 ALA 18 -11.970 2.688 2.688 125 3HB ALA 18 HB2 ALA 18 -11.856 4.281 4.281 126 H ALA 19 HN ALA 19 -13.027 2.260 2.260 127 HA ALA 19 HA ALA 19 -10.326 1.767 1.767 128 1HB ALA 19 HB1 ALA 19 -12.404 0.154 0.154 129 2HB ALA 19 HB3 ALA 19 -12.597 0.581 0.581 130 3HB ALA 19 HB2 ALA 19 -11.098 -0.161 -0.161 131 H ARG 20 HN ARG 20 -12.990 3.553 3.553 132 HA ARG 20 HA ARG 20 -11.971 3.715 3.715 133 1HB ARG 20 HB2 ARG 20 -14.125 5.121 5.121 134 2HB ARG 20 HB1 ARG 20 -13.612 5.757 5.757 135 1HG ARG 20 HG1 ARG 20 -14.158 2.885 2.885 136 2HG ARG 20 HG2 ARG 20 -15.556 3.891 3.891 137 1HD ARG 20 HD1 ARG 20 -15.732 4.634 4.634 138 2HD ARG 20 HD2 ARG 20 -13.999 4.941 4.941 139 HE ARG 20 HE ARG 20 -13.813 2.995 2.995 140 1HH1 ARG 20 HH11 ARG 20 -16.700 2.841 2.841 141 2HH1 ARG 20 HH12 ARG 20 -17.199 1.307 1.307 142 1HH2 ARG 20 HH21 ARG 20 -14.459 0.972 0.972 143 2HH2 ARG 20 HH22 ARG 20 -15.924 0.242 0.242 144 H GLY 21 HN GLY 21 -11.569 5.579 5.579 145 1HA GLY 21 HA1 GLY 21 -9.832 7.049 7.049 146 2HA GLY 21 HA2 GLY 21 -9.330 6.980 6.980 147 H ASP 22 HN ASP 22 -12.086 8.146 8.146 148 HA ASP 22 HA ASP 22 -11.919 10.694 10.694 149 1HB ASP 22 HB2 ASP 22 -14.650 9.723 9.723 150 2HB ASP 22 HB1 ASP 22 -13.818 8.914 8.914 151 H VAL 23 HN VAL 23 -11.228 11.921 11.921 152 HA VAL 23 HA VAL 23 -11.810 11.639 11.639 153 HB VAL 23 HB VAL 23 -10.064 13.127 13.127 154 1HG1 VAL 23 HG12 VAL 23 -12.173 14.455 14.455 155 2HG1 VAL 23 HG11 VAL 23 -10.780 15.382 15.382 156 3HG1 VAL 23 HG13 VAL 23 -10.544 13.955 13.955 157 1HG2 VAL 23 HG22 VAL 23 -11.366 13.698 13.698 158 2HG2 VAL 23 HG21 VAL 23 -10.552 15.080 15.080 159 3HG2 VAL 23 HG23 VAL 23 -12.286 14.854 14.854 160 H GLN 24 HN GLN 24 -13.797 12.861 12.861 161 HA GLN 24 HA GLN 24 -15.585 14.375 14.375 162 1HB GLN 24 HB1 GLN 24 -16.314 13.175 13.175 163 2HB GLN 24 HB2 GLN 24 -16.880 14.676 14.676 164 1HG GLN 24 HG1 GLN 24 -14.300 15.279 15.279 165 2HG GLN 24 HG2 GLN 24 -14.389 14.103 14.103 166 1HE2 GLN 24 HE22 GLN 24 -15.658 16.398 16.398 167 2HE2 GLN 24 HE21 GLN 24 -14.754 14.961 14.961 168 H GLU 25 HN GLU 25 -15.761 11.157 11.157 169 HA GLU 25 HA GLU 25 -18.268 10.515 10.515 170 1HB GLU 25 HB2 GLU 25 -16.210 8.658 8.658 171 2HB GLU 25 HB1 GLU 25 -17.894 8.271 8.271 172 1HG GLU 25 HG1 GLU 25 -18.565 9.159 9.159 173 2HG GLU 25 HG2 GLU 25 -17.630 10.630 10.630 174 H VAL 26 HN VAL 26 -14.908 9.566 9.566 175 HA VAL 26 HA VAL 26 -15.341 7.796 7.796 176 HB VAL 26 HB VAL 26 -13.119 8.429 8.429 177 1HG1 VAL 26 HG12 VAL 26 -13.232 10.831 10.831 178 2HG1 VAL 26 HG11 VAL 26 -13.163 10.514 10.514 179 3HG1 VAL 26 HG13 VAL 26 -11.785 10.113 10.113 180 1HG2 VAL 26 HG22 VAL 26 -13.742 7.263 7.263 181 2HG2 VAL 26 HG21 VAL 26 -12.254 7.077 7.077 182 3HG2 VAL 26 HG23 VAL 26 -12.370 8.328 8.328 183 H ARG 27 HN ARG 27 -15.261 11.318 11.318 184 HA ARG 27 HA ARG 27 -15.395 11.525 11.525 185 1HB ARG 27 HB2 ARG 27 -15.814 13.474 13.474 186 2HB ARG 27 HB1 ARG 27 -16.099 13.932 13.932 187 1HG ARG 27 HG2 ARG 27 -13.751 13.243 13.243 188 2HG ARG 27 HG1 ARG 27 -13.508 13.030 13.030 189 1HD ARG 27 HD2 ARG 27 -14.405 15.597 15.597 190 2HD ARG 27 HD1 ARG 27 -12.738 15.230 15.230 191 HE ARG 27 HE ARG 27 -14.572 14.971 14.971 192 1HH1 ARG 27 HH21 ARG 27 -12.604 17.188 17.188 193 2HH1 ARG 27 HH22 ARG 27 -12.459 18.328 18.328 194 1HH2 ARG 27 HH11 ARG 27 -14.389 16.465 16.465 195 2HH2 ARG 27 HH12 ARG 27 -13.473 17.917 17.917 196 H ARG 28 HN ARG 28 -17.809 12.354 12.354 197 HA ARG 28 HA ARG 28 -19.963 12.754 12.754 198 1HB ARG 28 HB2 ARG 28 -19.641 12.048 12.048 199 2HB ARG 28 HB1 ARG 28 -21.229 11.764 11.764 200 1HG ARG 28 HG2 ARG 28 -20.573 14.295 14.295 201 2HG ARG 28 HG1 ARG 28 -19.953 14.247 14.247 202 1HD ARG 28 HD1 ARG 28 -22.398 13.071 13.071 203 2HD ARG 28 HD2 ARG 28 -22.714 14.259 14.259 204 HE ARG 28 HE ARG 28 -21.409 15.720 15.720 205 1HH1 ARG 28 HH21 ARG 28 -24.094 13.519 13.519 206 2HH1 ARG 28 HH22 ARG 28 -24.806 14.336 14.336 207 1HH2 ARG 28 HH11 ARG 28 -22.334 16.803 16.803 208 2HH2 ARG 28 HH12 ARG 28 -23.806 16.204 16.204 209 H LEU 29 HN LEU 29 -18.601 9.747 9.747 210 HA LEU 29 HA LEU 29 -20.807 8.112 8.112 211 1HB LEU 29 HB1 LEU 29 -18.071 7.688 7.688 212 2HB LEU 29 HB2 LEU 29 -18.725 6.385 6.385 213 HG LEU 29 HG LEU 29 -20.441 7.448 7.448 214 1HD1 LEU 29 HD13 LEU 29 -17.918 5.879 5.879 215 2HD1 LEU 29 HD12 LEU 29 -19.281 5.783 5.783 216 3HD1 LEU 29 HD11 LEU 29 -18.474 7.327 7.327 217 1HD2 LEU 29 HD21 LEU 29 -20.007 4.895 4.895 218 2HD2 LEU 29 HD23 LEU 29 -21.507 5.740 5.740 219 3HD2 LEU 29 HD22 LEU 29 -20.664 4.831 4.831 220 H LEU 30 HN LEU 30 -17.496 8.105 8.105 221 HA LEU 30 HA LEU 30 -18.328 6.905 6.905 222 1HB LEU 30 HB2 LEU 30 -15.743 8.348 8.348 223 2HB LEU 30 HB1 LEU 30 -16.036 7.199 7.199 224 HG LEU 30 HG LEU 30 -16.363 6.355 6.355 225 1HD1 LEU 30 HD11 LEU 30 -14.109 7.497 7.497 226 2HD1 LEU 30 HD13 LEU 30 -13.752 6.114 6.114 227 3HD1 LEU 30 HD12 LEU 30 -14.096 5.870 5.870 228 1HD2 LEU 30 HD21 LEU 30 -15.665 4.950 4.950 229 2HD2 LEU 30 HD23 LEU 30 -17.163 4.816 4.816 230 3HD2 LEU 30 HD22 LEU 30 -15.658 4.182 4.182 231 H HIS 31 HN HIS 31 -17.461 10.215 10.215 232 HA HIS 31 HA HIS 31 -17.733 11.256 11.256 233 1HB HIS 31 HB2 HIS 31 -16.533 12.187 12.187 234 2HB HIS 31 HB1 HIS 31 -18.046 13.083 13.083 235 HD2 HIS 31 HD2 HIS 31 -14.684 13.257 13.257 236 HE1 HIS 31 HE1 HIS 31 -17.257 15.937 15.937 237 HE2 HIS 31 HE2 HIS 31 -14.889 15.046 15.046 238 H ARG 32 HN ARG 32 -20.027 10.050 10.050 239 HA ARG 32 HA ARG 32 -22.127 11.501 11.501 240 1HB ARG 32 HB1 ARG 32 -21.407 12.396 12.396 241 2HB ARG 32 HB2 ARG 32 -22.708 11.274 11.274 242 1HG ARG 32 HG1 ARG 32 -24.132 12.904 12.904 243 2HG ARG 32 HG2 ARG 32 -23.655 12.763 12.763 244 1HD ARG 32 HD2 ARG 32 -23.028 14.901 14.901 245 2HD ARG 32 HD1 ARG 32 -21.629 14.269 14.269 246 HE ARG 32 HE ARG 32 -22.432 15.281 15.281 247 1HH1 ARG 32 HH11 ARG 32 -25.095 14.719 14.719 248 2HH1 ARG 32 HH12 ARG 32 -26.255 15.520 15.520 249 1HH2 ARG 32 HH21 ARG 32 -23.949 16.340 16.340 250 2HH2 ARG 32 HH22 ARG 32 -25.604 16.441 16.441 251 H GLU 33 HN GLU 33 -22.140 9.496 9.496 252 HA GLU 33 HA GLU 33 -24.315 7.969 7.969 253 1HB GLU 33 HB1 GLU 33 -22.745 7.883 7.883 254 2HB GLU 33 HB2 GLU 33 -21.776 6.746 6.746 255 1HG GLU 33 HG1 GLU 33 -24.582 6.015 6.015 256 2HG GLU 33 HG2 GLU 33 -23.871 6.126 6.126 257 H LEU 34 HN LEU 34 -21.258 7.751 7.751 258 HA LEU 34 HA LEU 34 -20.507 6.479 6.479 259 1HB LEU 34 HB1 LEU 34 -23.419 6.776 6.776 260 2HB LEU 34 HB2 LEU 34 -22.602 5.546 5.546 261 HG LEU 34 HG LEU 34 -21.985 8.499 8.499 262 1HD1 LEU 34 HD13 LEU 34 -23.455 6.681 6.681 263 2HD1 LEU 34 HD12 LEU 34 -22.426 7.899 7.899 264 3HD1 LEU 34 HD11 LEU 34 -23.713 8.390 8.390 265 1HD2 LEU 34 HD21 LEU 34 -20.355 6.206 6.206 266 2HD2 LEU 34 HD23 LEU 34 -19.891 7.881 7.881 267 3HD2 LEU 34 HD22 LEU 34 -20.540 7.416 7.416 268 H VAL 35 HN VAL 35 -20.237 5.050 5.050 269 HA VAL 35 HA VAL 35 -21.669 2.534 2.534 270 HB VAL 35 HB VAL 35 -19.399 3.279 3.279 271 1HG1 VAL 35 HG21 VAL 35 -21.237 0.937 0.937 272 2HG1 VAL 35 HG23 VAL 35 -20.636 1.437 1.437 273 3HG1 VAL 35 HG22 VAL 35 -19.502 0.979 0.979 274 1HG2 VAL 35 HG11 VAL 35 -21.299 4.789 4.789 275 2HG2 VAL 35 HG13 VAL 35 -21.122 3.717 3.717 276 3HG2 VAL 35 HG12 VAL 35 -22.376 3.407 3.407 277 H HIS 36 HN HIS 36 -20.950 0.741 0.741 278 HA HIS 36 HA HIS 36 -18.913 0.681 0.681 279 1HB HIS 36 HB2 HIS 36 -20.795 -1.120 -1.120 280 2HB HIS 36 HB1 HIS 36 -19.281 -1.902 -1.902 281 HD2 HIS 36 HD2 HIS 36 -19.296 0.144 0.144 282 HE1 HIS 36 HE1 HIS 36 -19.397 -3.975 -3.975 283 HE2 HIS 36 HE2 HIS 36 -19.293 -1.619 -1.619 284 HA PRO 37 HA PRO 37 -15.225 0.662 0.662 285 1HB PRO 37 HB1 PRO 37 -13.471 0.032 0.032 286 2HB PRO 37 HB2 PRO 37 -14.214 1.630 1.630 287 1HG PRO 37 HG1 PRO 37 -14.956 -0.658 -0.658 288 2HG PRO 37 HG2 PRO 37 -14.853 1.071 1.071 289 1HD PRO 37 HD2 PRO 37 -17.205 -0.189 -0.189 290 2HD PRO 37 HD1 PRO 37 -16.925 1.520 1.520 291 H ASP 38 HN ASP 38 -16.414 -2.055 -2.055 292 HA ASP 38 HA ASP 38 -14.429 -3.884 -3.884 293 1HB ASP 38 HB1 ASP 38 -16.586 -5.302 -5.302 294 2HB ASP 38 HB2 ASP 38 -16.261 -3.899 -3.899 295 H ALA 39 HN ALA 39 -17.005 -2.408 -2.408 296 HA ALA 39 HA ALA 39 -18.680 -4.242 -4.242 297 1HB ALA 39 HB3 ALA 39 -17.778 -1.575 -1.575 298 2HB ALA 39 HB2 ALA 39 -18.151 -2.523 -2.523 299 3HB ALA 39 HB1 ALA 39 -19.372 -2.309 -2.309 300 H LEU 40 HN LEU 40 -18.402 -6.011 -6.011 301 HA LEU 40 HA LEU 40 -15.934 -6.278 -6.278 302 1HB LEU 40 HB1 LEU 40 -17.526 -8.191 -8.191 303 2HB LEU 40 HB2 LEU 40 -16.776 -8.809 -8.809 304 HG LEU 40 HG LEU 40 -14.705 -7.449 -7.449 305 1HD1 LEU 40 HD21 LEU 40 -16.542 -7.546 -7.546 306 2HD1 LEU 40 HD23 LEU 40 -15.657 -9.045 -9.045 307 3HD1 LEU 40 HD22 LEU 40 -14.797 -7.506 -7.506 308 1HD2 LEU 40 HD12 LEU 40 -15.409 -10.104 -10.104 309 2HD2 LEU 40 HD11 LEU 40 -13.801 -9.420 -9.420 310 3HD2 LEU 40 HD13 LEU 40 -14.667 -10.139 -10.139 311 H ASN 41 HN ASN 41 -16.094 -6.422 -6.422 312 HA ASN 41 HA ASN 41 -18.552 -6.111 -6.111 313 1HB ASN 41 HB2 ASN 41 -16.041 -7.155 -7.155 314 2HB ASN 41 HB1 ASN 41 -17.310 -6.165 -6.165 315 1HD2 ASN 41 HD22 ASN 41 -14.226 -4.488 -4.488 316 2HD2 ASN 41 HD21 ASN 41 -14.438 -6.200 -6.200 317 H ARG 42 HN ARG 42 -18.400 -7.834 -7.834 318 HA ARG 42 HA ARG 42 -19.607 -10.194 -10.194 319 1HB ARG 42 HB2 ARG 42 -20.018 -8.750 -8.750 320 2HB ARG 42 HB1 ARG 42 -19.185 -10.179 -10.179 321 1HG ARG 42 HG2 ARG 42 -21.519 -10.443 -10.443 322 2HG ARG 42 HG1 ARG 42 -21.759 -10.182 -10.182 323 1HD ARG 42 HD1 ARG 42 -19.798 -12.212 -12.212 324 2HD ARG 42 HD2 ARG 42 -21.174 -12.602 -12.602 325 HE ARG 42 HE ARG 42 -22.154 -11.876 -11.876 326 1HH1 ARG 42 HH21 ARG 42 -20.255 -14.402 -14.402 327 2HH1 ARG 42 HH22 ARG 42 -20.747 -15.610 -15.610 328 1HH2 ARG 42 HH11 ARG 42 -22.810 -13.459 -13.459 329 2HH2 ARG 42 HH12 ARG 42 -22.200 -15.074 -15.074 330 H PHE 43 HN PHE 43 -16.484 -9.364 -9.364 331 HA PHE 43 HA PHE 43 -15.663 -12.023 -12.023 332 1HB PHE 43 HB1 PHE 43 -14.743 -9.553 -9.553 333 2HB PHE 43 HB2 PHE 43 -13.579 -10.009 -10.009 334 HD1 PHE 43 HD1 PHE 43 -15.087 -11.091 -11.091 335 HD2 PHE 43 HD2 PHE 43 -11.869 -11.550 -11.550 336 HE1 PHE 43 HE1 PHE 43 -13.878 -12.472 -12.472 337 HE2 PHE 43 HE2 PHE 43 -10.653 -12.931 -12.931 338 HZ PHE 43 HZ PHE 43 -11.657 -13.392 -13.392 339 H GLY 44 HN GLY 44 -15.795 -10.030 -10.030 340 1HA GLY 44 HA1 GLY 44 -15.598 -10.909 -10.909 341 2HA GLY 44 HA2 GLY 44 -14.591 -12.201 -12.201 342 H LYS 45 HN LYS 45 -14.064 -8.852 -8.852 343 HA LYS 45 HA LYS 45 -11.515 -8.961 -8.961 344 1HB LYS 45 HB2 LYS 45 -12.401 -7.517 -7.517 345 2HB LYS 45 HB1 LYS 45 -11.022 -6.932 -6.932 346 1HG LYS 45 HG2 LYS 45 -10.292 -9.477 -9.477 347 2HG LYS 45 HG1 LYS 45 -11.308 -9.371 -9.371 348 1HD LYS 45 HD1 LYS 45 -9.984 -7.258 -7.258 349 2HD LYS 45 HD2 LYS 45 -8.841 -7.793 -7.793 350 1HE LYS 45 HE2 LYS 45 -8.112 -8.528 -8.528 351 2HE LYS 45 HE1 LYS 45 -8.557 -9.915 -9.915 352 1HZ LYS 45 HZ2 LYS 45 -10.416 -8.675 -8.675 353 2HZ LYS 45 HZ1 LYS 45 -9.382 -9.949 -9.949 354 3HZ LYS 45 HZ3 LYS 45 -10.572 -10.169 -10.169 355 H THR 46 HN THR 46 -10.783 -7.109 -7.109 356 HA THR 46 HA THR 46 -12.946 -5.687 -5.687 357 HB THR 46 HB THR 46 -10.485 -4.757 -4.757 358 HG1 THR 46 HG1 THR 46 -9.274 -6.566 -6.566 359 1HG2 THR 46 HG21 THR 46 -12.754 -6.193 -6.193 360 2HG2 THR 46 HG23 THR 46 -11.279 -6.920 -6.920 361 3HG2 THR 46 HG22 THR 46 -11.596 -5.203 -5.203 362 H ALA 47 HN ALA 47 -12.581 -3.313 -3.313 363 HA ALA 47 HA ALA 47 -12.577 -1.839 -1.839 364 1HB ALA 47 HB2 ALA 47 -12.839 -1.274 -1.274 365 2HB ALA 47 HB1 ALA 47 -12.085 0.037 0.037 366 3HB ALA 47 HB3 ALA 47 -13.675 -0.561 -0.561 367 H LEU 48 HN LEU 48 -10.137 -1.923 -1.923 368 HA LEU 48 HA LEU 48 -8.272 -0.312 -0.312 369 1HB LEU 48 HB1 LEU 48 -8.372 -1.810 -1.810 370 2HB LEU 48 HB2 LEU 48 -6.781 -1.802 -1.802 371 HG LEU 48 HG LEU 48 -8.360 0.713 0.713 372 1HD1 LEU 48 HD12 LEU 48 -7.433 -0.936 -0.936 373 2HD1 LEU 48 HD11 LEU 48 -6.074 0.162 0.162 374 3HD1 LEU 48 HD13 LEU 48 -7.668 0.806 0.806 375 1HD2 LEU 48 HD22 LEU 48 -5.769 0.074 0.074 376 2HD2 LEU 48 HD21 LEU 48 -6.766 1.520 1.520 377 3HD2 LEU 48 HD23 LEU 48 -5.702 1.326 1.326 378 H GLN 49 HN GLN 49 -8.982 -3.713 -3.713 379 HA GLN 49 HA GLN 49 -6.526 -4.564 -4.564 380 1HB GLN 49 HB2 GLN 49 -8.117 -6.021 -6.021 381 2HB GLN 49 HB1 GLN 49 -9.180 -6.001 -6.001 382 1HG GLN 49 HG2 GLN 49 -7.672 -7.213 -7.213 383 2HG GLN 49 HG1 GLN 49 -6.329 -6.897 -6.897 384 1HE2 GLN 49 HE22 GLN 49 -7.023 -10.287 -10.287 385 2HE2 GLN 49 HE21 GLN 49 -6.147 -9.282 -9.282 386 H VAL 50 HN VAL 50 -8.976 -2.708 -2.708 387 HA VAL 50 HA VAL 50 -8.318 -3.468 -3.468 388 HB VAL 50 HB VAL 50 -10.646 -2.965 -2.965 389 1HG1 VAL 50 HG11 VAL 50 -9.655 -5.277 -5.277 390 2HG1 VAL 50 HG13 VAL 50 -11.280 -5.052 -5.052 391 3HG1 VAL 50 HG12 VAL 50 -11.032 -5.150 -5.150 392 1HG2 VAL 50 HG23 VAL 50 -10.979 -2.610 -2.610 393 2HG2 VAL 50 HG22 VAL 50 -11.521 -1.569 -1.569 394 3HG2 VAL 50 HG21 VAL 50 -12.339 -3.102 -3.102 395 H MET 51 HN MET 51 -9.466 -0.984 -0.984 396 HA MET 51 HA MET 51 -9.867 1.203 1.203 397 1HB MET 51 HB1 MET 51 -9.615 2.342 2.342 398 2HB MET 51 HB2 MET 51 -9.276 0.778 0.778 399 1HG MET 51 HG1 MET 51 -7.177 2.637 2.637 400 2HG MET 51 HG2 MET 51 -7.659 2.555 2.555 401 1HE MET 51 HE3 MET 51 -5.092 2.605 2.605 402 2HE MET 51 HE2 MET 51 -4.320 1.161 1.161 403 3HE MET 51 HE1 MET 51 -4.263 1.480 1.480 404 H MET 52 HN MET 52 -8.789 2.622 2.622 405 HA MET 52 HA MET 52 -6.118 1.821 1.821 406 1HB MET 52 HB1 MET 52 -6.535 2.907 2.907 407 2HB MET 52 HB2 MET 52 -8.146 2.371 2.371 408 1HG MET 52 HG2 MET 52 -8.707 4.560 4.560 409 2HG MET 52 HG1 MET 52 -7.057 5.122 5.122 410 1HE MET 52 HE2 MET 52 -5.917 5.287 5.287 411 2HE MET 52 HE1 MET 52 -6.467 5.054 5.054 412 3HE MET 52 HE3 MET 52 -6.730 6.600 6.600 413 H PHE 53 HN PHE 53 -4.354 2.834 2.834 414 HA PHE 53 HA PHE 53 -4.357 4.893 4.893 415 1HB PHE 53 HB2 PHE 53 -2.129 4.143 4.143 416 2HB PHE 53 HB1 PHE 53 -1.946 5.071 5.071 417 HD1 PHE 53 HD2 PHE 53 -2.849 1.741 1.741 418 HD2 PHE 53 HD1 PHE 53 -1.725 4.012 4.012 419 HE1 PHE 53 HE2 PHE 53 -2.501 -0.345 -0.345 420 HE2 PHE 53 HE1 PHE 53 -1.375 1.928 1.928 421 HZ PHE 53 HZ PHE 53 -1.793 -0.262 -0.262 422 H GLY 54 HN GLY 54 -4.845 5.040 5.040 423 1HA GLY 54 HA1 GLY 54 -3.800 7.304 7.304 424 2HA GLY 54 HA2 GLY 54 -5.488 6.894 6.894 425 H SER 55 HN SER 55 -6.421 7.212 7.212 426 HA SER 55 HA SER 55 -6.158 10.129 10.129 427 1HB SER 55 HB1 SER 55 -8.478 8.264 8.264 428 2HB SER 55 HB2 SER 55 -8.432 9.873 9.873 429 HG SER 55 HG SER 55 -7.844 9.799 9.799 430 HA PRO 56 HA PRO 56 -4.319 9.166 9.166 431 1HB PRO 56 HB2 PRO 56 -4.050 11.705 11.705 432 2HB PRO 56 HB1 PRO 56 -3.008 11.020 11.020 433 1HG PRO 56 HG2 PRO 56 -5.391 12.811 12.811 434 2HG PRO 56 HG1 PRO 56 -3.836 12.873 12.873 435 1HD PRO 56 HD1 PRO 56 -6.093 11.795 11.795 436 2HD PRO 56 HD2 PRO 56 -4.457 11.250 11.250 437 H ALA 57 HN ALA 57 -7.123 11.277 11.277 438 HA ALA 57 HA ALA 57 -7.844 11.417 11.417 439 1HB ALA 57 HB3 ALA 57 -9.154 11.988 11.988 440 2HB ALA 57 HB2 ALA 57 -10.228 11.679 11.679 441 3HB ALA 57 HB1 ALA 57 -9.035 12.974 12.974 442 H VAL 58 HN VAL 58 -8.659 9.093 9.093 443 HA VAL 58 HA VAL 58 -10.594 7.653 7.653 444 HB VAL 58 HB VAL 58 -10.233 5.881 5.881 445 1HG1 VAL 58 HG23 VAL 58 -10.587 8.637 8.637 446 2HG1 VAL 58 HG22 VAL 58 -9.902 7.687 7.687 447 3HG1 VAL 58 HG21 VAL 58 -11.423 7.196 7.196 448 1HG2 VAL 58 HG13 VAL 58 -7.559 6.786 6.786 449 2HG2 VAL 58 HG12 VAL 58 -8.226 5.376 5.376 450 3HG2 VAL 58 HG11 VAL 58 -8.149 6.929 6.929 451 H ALA 59 HN ALA 59 -7.113 7.630 7.630 452 HA ALA 59 HA ALA 59 -6.706 5.153 5.153 453 1HB ALA 59 HB1 ALA 59 -5.111 7.532 7.532 454 2HB ALA 59 HB3 ALA 59 -4.607 6.666 6.666 455 3HB ALA 59 HB2 ALA 59 -4.684 5.824 5.824 456 H LEU 60 HN LEU 60 -6.400 8.392 8.392 457 HA LEU 60 HA LEU 60 -6.497 7.469 7.469 458 1HB LEU 60 HB2 LEU 60 -5.650 9.711 9.711 459 2HB LEU 60 HB1 LEU 60 -7.327 10.221 10.221 460 HG LEU 60 HG LEU 60 -6.173 9.103 9.103 461 1HD1 LEU 60 HD11 LEU 60 -5.279 11.562 11.562 462 2HD1 LEU 60 HD13 LEU 60 -5.731 11.742 11.742 463 3HD1 LEU 60 HD12 LEU 60 -4.483 10.584 10.584 464 1HD2 LEU 60 HD22 LEU 60 -8.153 11.294 11.294 465 2HD2 LEU 60 HD21 LEU 60 -8.541 9.646 9.646 466 3HD2 LEU 60 HD23 LEU 60 -7.702 10.727 10.727 467 H GLU 61 HN GLU 61 -8.994 8.411 8.411 468 HA GLU 61 HA GLU 61 -11.114 8.739 8.739 469 1HB GLU 61 HB2 GLU 61 -10.916 8.161 8.161 470 2HB GLU 61 HB1 GLU 61 -12.474 7.970 7.970 471 1HG GLU 61 HG2 GLU 61 -12.823 10.138 10.138 472 2HG GLU 61 HG1 GLU 61 -11.428 10.447 10.447 473 H LEU 62 HN LEU 62 -10.236 5.916 5.916 474 HA LEU 62 HA LEU 62 -12.156 4.180 4.180 475 1HB LEU 62 HB1 LEU 62 -9.795 3.955 3.955 476 2HB LEU 62 HB2 LEU 62 -10.113 2.520 2.520 477 HG LEU 62 HG LEU 62 -12.020 3.837 3.837 478 1HD1 LEU 62 HD13 LEU 62 -10.503 1.235 1.235 479 2HD1 LEU 62 HD12 LEU 62 -11.766 1.705 1.705 480 3HD1 LEU 62 HD11 LEU 62 -10.271 2.636 2.636 481 1HD2 LEU 62 HD21 LEU 62 -12.428 1.884 1.884 482 2HD2 LEU 62 HD23 LEU 62 -13.584 2.936 2.936 483 3HD2 LEU 62 HD22 LEU 62 -13.091 1.416 1.416 484 H LEU 63 HN LEU 63 -8.741 4.704 4.704 485 HA LEU 63 HA LEU 63 -8.556 2.744 2.744 486 1HB LEU 63 HB2 LEU 63 -6.920 4.868 4.868 487 2HB LEU 63 HB1 LEU 63 -6.802 4.824 4.824 488 HG LEU 63 HG LEU 63 -6.164 2.590 2.590 489 1HD1 LEU 63 HD13 LEU 63 -4.615 4.683 4.683 490 2HD1 LEU 63 HD12 LEU 63 -4.195 3.396 3.396 491 3HD1 LEU 63 HD11 LEU 63 -4.014 3.139 3.139 492 1HD2 LEU 63 HD23 LEU 63 -6.494 2.586 2.586 493 2HD2 LEU 63 HD22 LEU 63 -7.137 1.456 1.456 494 3HD2 LEU 63 HD21 LEU 63 -5.416 1.447 1.447 495 H LYS 64 HN LYS 64 -9.159 6.245 6.245 496 HA LYS 64 HA LYS 64 -9.423 6.344 6.344 497 1HB LYS 64 HB1 LYS 64 -9.066 8.328 8.328 498 2HB LYS 64 HB2 LYS 64 -10.706 8.154 8.154 499 1HG LYS 64 HG2 LYS 64 -11.654 8.947 8.947 500 2HG LYS 64 HG1 LYS 64 -10.350 8.352 8.352 501 1HD LYS 64 HD1 LYS 64 -9.780 10.532 10.532 502 2HD LYS 64 HD2 LYS 64 -9.011 10.183 10.183 503 1HE LYS 64 HE2 LYS 64 -10.293 11.735 11.735 504 2HE LYS 64 HE1 LYS 64 -11.702 10.740 10.740 505 1HZ LYS 64 HZ3 LYS 64 -10.728 12.298 12.298 506 2HZ LYS 64 HZ2 LYS 64 -11.304 13.224 13.224 507 3HZ LYS 64 HZ1 LYS 64 -12.310 12.078 12.078 508 H GLN 65 HN GLN 65 -11.440 4.974 4.974 509 HA GLN 65 HA GLN 65 -13.938 5.410 5.410 510 1HB GLN 65 HB1 GLN 65 -13.179 4.549 4.549 511 2HB GLN 65 HB2 GLN 65 -13.933 3.144 3.144 512 1HG GLN 65 HG1 GLN 65 -15.119 5.835 5.835 513 2HG GLN 65 HG2 GLN 65 -15.673 4.247 4.247 514 1HE2 GLN 65 HE22 GLN 65 -16.922 3.464 3.464 515 2HE2 GLN 65 HE21 GLN 65 -15.830 2.780 2.780 516 H GLY 66 HN GLY 66 -11.483 2.904 2.904 517 1HA GLY 66 HA1 GLY 66 -11.286 1.668 1.668 518 2HA GLY 66 HA2 GLY 66 -13.019 1.410 1.410 519 H ALA 67 HN ALA 67 -10.496 1.156 1.156 520 HA ALA 67 HA ALA 67 -11.440 -1.559 -1.559 521 1HB ALA 67 HB1 ALA 67 -10.311 0.616 0.616 522 2HB ALA 67 HB3 ALA 67 -9.691 -0.987 -0.987 523 3HB ALA 67 HB2 ALA 67 -11.426 -0.673 -0.673 524 H SER 68 HN SER 68 -9.331 -2.716 -2.716 525 HA SER 68 HA SER 68 -7.104 -2.618 -2.618 526 1HB SER 68 HB1 SER 68 -8.204 -5.256 -5.256 527 2HB SER 68 HB2 SER 68 -7.117 -4.941 -4.941 528 HG SER 68 HG SER 68 -8.836 -4.850 -4.850 529 HA PRO 69 HA PRO 69 -5.083 -2.577 -2.577 530 1HB PRO 69 HB1 PRO 69 -2.602 -2.041 -2.041 531 2HB PRO 69 HB2 PRO 69 -3.853 -0.802 -0.802 532 1HG PRO 69 HG1 PRO 69 -2.978 -2.334 -2.334 533 2HG PRO 69 HG2 PRO 69 -3.347 -0.607 -0.607 534 1HD PRO 69 HD2 PRO 69 -5.104 -2.399 -2.399 535 2HD PRO 69 HD1 PRO 69 -5.620 -0.953 -0.953 536 H ASN 70 HN ASN 70 -4.204 -4.467 -4.467 537 HA ASN 70 HA ASN 70 -2.264 -6.113 -6.113 538 1HB ASN 70 HB2 ASN 70 -3.888 -6.306 -6.306 539 2HB ASN 70 HB1 ASN 70 -2.957 -7.698 -7.698 540 1HD2 ASN 70 HD22 ASN 70 -1.178 -4.706 -4.706 541 2HD2 ASN 70 HD21 ASN 70 -2.889 -4.859 -4.859 542 H VAL 71 HN VAL 71 -3.468 -6.477 -6.477 543 HA VAL 71 HA VAL 71 -5.085 -8.915 -8.915 544 HB VAL 71 HB VAL 71 -6.722 -8.187 -8.187 545 1HG1 VAL 71 HG22 VAL 71 -6.138 -6.002 -6.002 546 2HG1 VAL 71 HG21 VAL 71 -7.642 -6.134 -6.134 547 3HG1 VAL 71 HG23 VAL 71 -7.185 -7.404 -7.404 548 1HG2 VAL 71 HG11 VAL 71 -4.688 -6.222 -6.222 549 2HG2 VAL 71 HG13 VAL 71 -5.976 -6.933 -6.933 550 3HG2 VAL 71 HG12 VAL 71 -6.320 -5.558 -5.558 551 H GLN 72 HN GLN 72 -4.573 -10.458 -10.458 552 HA GLN 72 HA GLN 72 -2.902 -9.720 -9.720 553 1HB GLN 72 HB2 GLN 72 -2.411 -12.275 -12.275 554 2HB GLN 72 HB1 GLN 72 -1.333 -11.396 -11.396 555 1HG GLN 72 HG1 GLN 72 -0.763 -9.845 -9.845 556 2HG GLN 72 HG2 GLN 72 -2.189 -10.198 -10.198 557 1HE2 GLN 72 HE22 GLN 72 1.011 -11.710 -11.710 558 2HE2 GLN 72 HE21 GLN 72 0.671 -10.153 -10.153 559 H ASP 73 HN ASP 73 -2.775 -11.553 -11.553 560 HA ASP 73 HA ASP 73 -5.083 -13.328 -13.328 561 1HB ASP 73 HB1 ASP 73 -5.302 -12.426 -12.426 562 2HB ASP 73 HB2 ASP 73 -6.269 -11.816 -11.816 563 H ALA 74 HN ALA 74 -2.846 -12.143 -12.143 564 HA ALA 74 HA ALA 74 -2.400 -14.418 -14.418 565 1HB ALA 74 HB1 ALA 74 -0.504 -12.206 -12.206 566 2HB ALA 74 HB3 ALA 74 -0.012 -13.541 -13.541 567 3HB ALA 74 HB2 ALA 74 -1.349 -12.495 -12.495 568 H SER 75 HN SER 75 -1.201 -13.688 -13.688 569 HA SER 75 HA SER 75 -0.844 -16.203 -16.203 570 1HB SER 75 HB2 SER 75 0.739 -17.024 -17.024 571 2HB SER 75 HB1 SER 75 1.389 -15.426 -15.426 572 HG SER 75 HG SER 75 2.702 -15.551 -15.551 573 H GLY 76 HN GLY 76 0.420 -12.965 -12.965 574 1HA GLY 76 HA1 GLY 76 0.192 -12.443 -12.443 575 2HA GLY 76 HA2 GLY 76 1.836 -13.018 -13.018 576 H THR 77 HN THR 77 -0.069 -11.089 -11.089 577 HA THR 77 HA THR 77 1.935 -8.950 -8.950 578 HB THR 77 HB THR 77 0.335 -9.911 -9.911 579 HG1 THR 77 HG1 THR 77 2.548 -9.669 -9.669 580 1HG2 THR 77 HG21 THR 77 1.336 -7.181 -7.181 581 2HG2 THR 77 HG23 THR 77 1.695 -7.894 -7.894 582 3HG2 THR 77 HG22 THR 77 0.023 -7.751 -7.751 583 H SER 78 HN SER 78 1.217 -7.277 -7.277 584 HA SER 78 HA SER 78 -1.625 -6.729 -6.729 585 1HB SER 78 HB2 SER 78 0.104 -4.757 -4.757 586 2HB SER 78 HB1 SER 78 -1.091 -5.825 -5.825 587 HG SER 78 HG SER 78 1.031 -6.243 -6.243 588 HA PRO 79 HA PRO 79 -2.091 -3.305 -3.305 589 1HB PRO 79 HB1 PRO 79 -2.656 -1.162 -1.162 590 2HB PRO 79 HB2 PRO 79 -3.837 -2.343 -2.343 591 1HG PRO 79 HG1 PRO 79 -2.390 -2.219 -2.219 592 2HG PRO 79 HG2 PRO 79 -4.070 -2.679 -2.679 593 1HD PRO 79 HD1 PRO 79 -2.192 -4.520 -4.520 594 2HD PRO 79 HD2 PRO 79 -3.480 -4.818 -4.818 595 H VAL 80 HN VAL 80 -0.221 -2.408 -2.408 596 HA VAL 80 HA VAL 80 1.144 -0.228 -0.228 597 HB VAL 80 HB VAL 80 2.630 -0.435 -0.435 598 1HG1 VAL 80 HG22 VAL 80 0.146 -0.236 -0.236 599 2HG1 VAL 80 HG21 VAL 80 0.259 -1.914 -1.914 600 3HG1 VAL 80 HG23 VAL 80 1.238 -0.673 -0.673 601 1HG2 VAL 80 HG11 VAL 80 3.469 -2.670 -2.670 602 2HG2 VAL 80 HG13 VAL 80 3.042 -2.514 -2.514 603 3HG2 VAL 80 HG12 VAL 80 1.966 -3.371 -3.371 604 H HIS 81 HN HIS 81 1.970 -3.676 -3.676 605 HA HIS 81 HA HIS 81 4.498 -3.512 -3.512 606 1HB HIS 81 HB2 HIS 81 2.349 -5.595 -5.595 607 2HB HIS 81 HB1 HIS 81 4.033 -5.787 -5.787 608 HD2 HIS 81 HD2 HIS 81 5.778 -6.494 -6.494 609 HE1 HIS 81 HE1 HIS 81 2.903 -6.549 -6.549 610 HE2 HIS 81 HE2 HIS 81 5.334 -6.960 -6.960 611 H ASP 82 HN ASP 82 1.389 -3.856 -3.856 612 HA ASP 82 HA ASP 82 2.546 -3.570 -3.570 613 1HB ASP 82 HB2 ASP 82 -0.210 -2.823 -2.823 614 2HB ASP 82 HB1 ASP 82 -0.021 -4.167 -4.167 615 H ALA 83 HN ALA 83 1.245 -1.348 -1.348 616 HA ALA 83 HA ALA 83 0.914 0.882 0.882 617 1HB ALA 83 HB2 ALA 83 0.410 0.316 0.316 618 2HB ALA 83 HB1 ALA 83 1.609 1.608 1.608 619 3HB ALA 83 HB3 ALA 83 0.096 1.839 1.839 620 H ALA 84 HN ALA 84 3.684 -0.537 -0.537 621 HA ALA 84 HA ALA 84 5.376 1.759 1.759 622 1HB ALA 84 HB2 ALA 84 5.774 -0.094 -0.094 623 2HB ALA 84 HB1 ALA 84 6.146 -1.149 -1.149 624 3HB ALA 84 HB3 ALA 84 7.178 0.238 0.238 625 H ARG 85 HN ARG 85 5.580 -1.320 -1.320 626 HA ARG 85 HA ARG 85 7.344 -0.390 -0.390 627 1HB ARG 85 HB2 ARG 85 7.085 -2.442 -2.442 628 2HB ARG 85 HB1 ARG 85 6.555 -2.810 -2.810 629 1HG ARG 85 HG2 ARG 85 4.238 -1.998 -1.998 630 2HG ARG 85 HG1 ARG 85 5.089 -2.913 -2.913 631 1HD ARG 85 HD2 ARG 85 5.111 -4.153 -4.153 632 2HD ARG 85 HD1 ARG 85 3.511 -4.004 -4.004 633 HE ARG 85 HE ARG 85 5.553 -5.821 -5.821 634 1HH1 ARG 85 HH21 ARG 85 2.991 -3.849 -3.849 635 2HH1 ARG 85 HH22 ARG 85 2.733 -4.862 -4.862 636 1HH2 ARG 85 HH11 ARG 85 5.223 -7.162 -7.162 637 2HH2 ARG 85 HH12 ARG 85 4.003 -6.745 -6.745 638 H THR 86 HN THR 86 3.908 -0.048 -0.048 639 HA THR 86 HA THR 86 3.292 0.485 0.485 640 HB THR 86 HB THR 86 1.313 1.759 1.759 641 HG1 THR 86 HG1 THR 86 2.511 1.874 1.874 642 1HG2 THR 86 HG23 THR 86 1.862 -1.154 -1.154 643 2HG2 THR 86 HG22 THR 86 0.439 -0.521 -0.521 644 3HG2 THR 86 HG21 THR 86 0.636 -0.270 -0.270 645 H GLY 87 HN GLY 87 4.362 2.538 2.538 646 1HA GLY 87 HA1 GLY 87 5.549 4.545 4.545 647 2HA GLY 87 HA2 GLY 87 5.101 4.589 4.589 648 H PHE 88 HN PHE 88 3.563 4.771 4.771 649 HA PHE 88 HA PHE 88 2.107 7.141 7.141 650 1HB PHE 88 HB2 PHE 88 0.908 4.559 4.559 651 2HB PHE 88 HB1 PHE 88 0.124 6.048 6.048 652 HD1 PHE 88 HD2 PHE 88 0.978 3.932 3.932 653 HD2 PHE 88 HD1 PHE 88 -0.984 7.494 7.494 654 HE1 PHE 88 HE2 PHE 88 -0.161 4.088 4.088 655 HE2 PHE 88 HE1 PHE 88 -2.127 7.655 7.655 656 HZ PHE 88 HZ PHE 88 -1.709 5.953 5.953 657 H LEU 89 HN LEU 89 4.275 7.317 7.317 658 HA LEU 89 HA LEU 89 4.043 7.049 7.049 659 1HB LEU 89 HB2 LEU 89 5.844 8.228 8.228 660 2HB LEU 89 HB1 LEU 89 5.378 9.519 9.519 661 HG LEU 89 HG LEU 89 6.860 6.996 6.996 662 1HD1 LEU 89 HD12 LEU 89 7.179 9.915 9.915 663 2HD1 LEU 89 HD11 LEU 89 7.998 8.751 8.751 664 3HD1 LEU 89 HD13 LEU 89 8.320 8.763 8.763 665 1HD2 LEU 89 HD23 LEU 89 4.789 8.182 8.182 666 2HD2 LEU 89 HD22 LEU 89 5.496 6.566 6.566 667 3HD2 LEU 89 HD21 LEU 89 6.341 7.911 7.911 668 H ASP 90 HN ASP 90 2.350 9.183 9.183 669 HA ASP 90 HA ASP 90 1.856 11.353 11.353 670 1HB ASP 90 HB1 ASP 90 -0.030 11.846 11.846 671 2HB ASP 90 HB2 ASP 90 -0.105 10.177 10.177 672 H THR 91 HN THR 91 -0.517 8.792 8.792 673 HA THR 91 HA THR 91 -1.994 9.333 9.333 674 HB THR 91 HB THR 91 -2.104 7.129 7.129 675 HG1 THR 91 HG1 THR 91 -3.080 8.863 8.863 676 1HG2 THR 91 HG23 THR 91 -3.864 7.442 7.442 677 2HG2 THR 91 HG22 THR 91 -4.250 6.444 6.444 678 3HG2 THR 91 HG21 THR 91 -2.843 6.064 6.064 679 H LEU 92 HN LEU 92 0.532 7.100 7.100 680 HA LEU 92 HA LEU 92 0.342 5.210 5.210 681 1HB LEU 92 HB2 LEU 92 2.391 6.180 6.180 682 2HB LEU 92 HB1 LEU 92 3.067 5.662 5.662 683 HG LEU 92 HG LEU 92 2.258 3.449 3.449 684 1HD1 LEU 92 HD21 LEU 92 0.223 4.712 4.712 685 2HD1 LEU 92 HD23 LEU 92 0.995 3.510 3.510 686 3HD1 LEU 92 HD22 LEU 92 0.321 3.029 3.029 687 1HD2 LEU 92 HD13 LEU 92 4.253 4.016 4.016 688 2HD2 LEU 92 HD12 LEU 92 3.288 2.753 2.753 689 3HD2 LEU 92 HD11 LEU 92 3.222 4.407 4.407 690 H LYS 93 HN LYS 93 2.159 8.258 8.258 691 HA LYS 93 HA LYS 93 3.226 8.175 8.175 692 1HB LYS 93 HB2 LYS 93 2.978 10.067 10.067 693 2HB LYS 93 HB1 LYS 93 2.234 10.827 10.827 694 1HG LYS 93 HG1 LYS 93 4.261 11.412 11.412 695 2HG LYS 93 HG2 LYS 93 4.583 9.707 9.707 696 1HD LYS 93 HD2 LYS 93 6.294 10.741 10.741 697 2HD LYS 93 HD1 LYS 93 5.451 9.405 9.405 698 1HE LYS 93 HE1 LYS 93 5.828 11.464 11.464 699 2HE LYS 93 HE2 LYS 93 4.174 10.859 10.859 700 1HZ LYS 93 HZ2 LYS 93 5.241 13.106 13.106 701 2HZ LYS 93 HZ1 LYS 93 4.298 13.278 13.278 702 3HZ LYS 93 HZ3 LYS 93 3.642 12.554 12.554 703 H VAL 94 HN VAL 94 -0.048 8.852 8.852 704 HA VAL 94 HA VAL 94 -0.903 9.917 9.917 705 HB VAL 94 HB VAL 94 -2.555 8.761 8.761 706 1HG1 VAL 94 HG22 VAL 94 -3.296 9.536 9.536 707 2HG1 VAL 94 HG21 VAL 94 -3.917 10.753 10.753 708 3HG1 VAL 94 HG23 VAL 94 -4.341 9.056 9.056 709 1HG2 VAL 94 HG12 VAL 94 -1.006 11.100 11.100 710 2HG2 VAL 94 HG11 VAL 94 -2.200 10.641 10.641 711 3HG2 VAL 94 HG13 VAL 94 -2.684 11.611 11.611 712 H LEU 95 HN LEU 95 -1.652 6.812 6.812 713 HA LEU 95 HA LEU 95 -2.820 5.725 5.725 714 1HB LEU 95 HB1 LEU 95 -3.258 3.797 3.797 715 2HB LEU 95 HB2 LEU 95 -3.402 5.127 5.127 716 HG LEU 95 HG LEU 95 -0.897 4.541 4.541 717 1HD1 LEU 95 HD23 LEU 95 -1.258 2.691 2.691 718 2HD1 LEU 95 HD22 LEU 95 -1.678 1.750 1.750 719 3HD1 LEU 95 HD21 LEU 95 -0.100 2.529 2.529 720 1HD2 LEU 95 HD12 LEU 95 -3.260 4.143 4.143 721 2HD2 LEU 95 HD11 LEU 95 -1.695 3.690 3.690 722 3HD2 LEU 95 HD13 LEU 95 -2.684 2.482 2.482 723 H VAL 96 HN VAL 96 0.288 5.198 5.198 724 HA VAL 96 HA VAL 96 1.159 3.140 3.140 725 HB VAL 96 HB VAL 96 2.340 4.730 4.730 726 1HG1 VAL 96 HG12 VAL 96 4.061 3.819 3.819 727 2HG1 VAL 96 HG11 VAL 96 4.687 3.932 3.932 728 3HG1 VAL 96 HG13 VAL 96 4.065 5.371 5.371 729 1HG2 VAL 96 HG22 VAL 96 2.315 1.891 1.891 730 2HG2 VAL 96 HG21 VAL 96 1.728 2.588 2.588 731 3HG2 VAL 96 HG23 VAL 96 3.461 2.414 2.414 732 H GLU 97 HN GLU 97 1.307 6.631 6.631 733 HA GLU 97 HA GLU 97 3.298 6.638 6.638 734 1HB GLU 97 HB2 GLU 97 2.785 8.956 8.956 735 2HB GLU 97 HB1 GLU 97 2.728 8.616 8.616 736 1HG GLU 97 HG1 GLU 97 0.732 9.738 9.738 737 2HG GLU 97 HG2 GLU 97 0.706 9.502 9.502 738 H HIS 98 HN HIS 98 -0.144 6.183 6.183 739 HA HIS 98 HA HIS 98 -0.581 6.721 6.721 740 1HB HIS 98 HB1 HIS 98 -2.218 6.414 6.414 741 2HB HIS 98 HB2 HIS 98 -2.458 4.886 4.886 742 HD2 HIS 98 HD2 HIS 98 -4.156 8.086 8.086 743 HE1 HIS 98 HE1 HIS 98 -4.403 6.943 6.943 744 HE2 HIS 98 HE2 HIS 98 -5.426 8.376 8.376 745 H GLY 99 HN GLY 99 -0.321 3.744 3.744 746 1HA GLY 99 HA1 GLY 99 1.009 2.352 2.352 747 2HA GLY 99 HA2 GLY 99 -0.668 1.849 1.849 748 H ALA 100 HN ALA 100 -1.342 1.299 1.299 749 HA ALA 100 HA ALA 100 -1.097 -0.558 -0.558 750 1HB ALA 100 HB3 ALA 100 -0.300 1.942 1.942 751 2HB ALA 100 HB2 ALA 100 0.864 0.784 0.784 752 3HB ALA 100 HB1 ALA 100 -0.860 0.555 0.555 753 H ASP 101 HN ASP 101 -0.111 -2.339 -2.339 754 HA ASP 101 HA ASP 101 2.345 -2.764 -2.764 755 1HB ASP 101 HB2 ASP 101 2.251 -5.081 -5.081 756 2HB ASP 101 HB1 ASP 101 0.856 -4.610 -4.610 757 H VAL 102 HN VAL 102 3.935 -1.448 -1.448 758 HA VAL 102 HA VAL 102 4.658 -1.801 -1.801 759 HB VAL 102 HB VAL 102 6.499 -0.082 -0.082 760 1HG1 VAL 102 HG12 VAL 102 3.585 0.433 0.433 761 2HG1 VAL 102 HG11 VAL 102 4.726 1.761 1.761 762 3HG1 VAL 102 HG13 VAL 102 4.942 0.611 0.611 763 1HG2 VAL 102 HG23 VAL 102 5.961 -0.341 -0.341 764 2HG2 VAL 102 HG22 VAL 102 5.857 1.326 1.326 765 3HG2 VAL 102 HG21 VAL 102 4.385 0.387 0.387 766 H ASN 103 HN ASN 103 5.386 -3.256 -3.256 767 HA ASN 103 HA ASN 103 8.141 -3.890 -3.890 768 1HB ASN 103 HB1 ASN 103 7.596 -5.134 -5.134 769 2HB ASN 103 HB2 ASN 103 8.532 -3.666 -3.666 770 1HD2 ASN 103 HD22 ASN 103 5.847 -1.489 -1.489 771 2HD2 ASN 103 HD21 ASN 103 7.146 -1.655 -1.655 772 H ALA 104 HN ALA 104 5.186 -5.049 -5.049 773 HA ALA 104 HA ALA 104 5.520 -7.835 -7.835 774 1HB ALA 104 HB1 ALA 104 3.600 -6.371 -6.371 775 2HB ALA 104 HB3 ALA 104 3.538 -8.103 -8.103 776 3HB ALA 104 HB2 ALA 104 3.296 -6.951 -6.951 777 H LEU 105 HN LEU 105 5.295 -9.429 -9.429 778 HA LEU 105 HA LEU 105 6.944 -8.612 -8.612 779 1HB LEU 105 HB2 LEU 105 7.383 -11.112 -11.112 780 2HB LEU 105 HB1 LEU 105 8.236 -10.697 -10.697 781 HG LEU 105 HG LEU 105 8.342 -9.021 -9.021 782 1HD1 LEU 105 HD12 LEU 105 9.255 -11.338 -11.338 783 2HD1 LEU 105 HD11 LEU 105 10.426 -10.967 -10.967 784 3HD1 LEU 105 HD13 LEU 105 10.423 -10.037 -10.037 785 1HD2 LEU 105 HD21 LEU 105 9.287 -8.689 -8.689 786 2HD2 LEU 105 HD23 LEU 105 9.292 -7.547 -7.547 787 3HD2 LEU 105 HD22 LEU 105 10.627 -8.683 -8.683 788 H ASP 106 HN ASP 106 7.119 -11.023 -11.023 789 HA ASP 106 HA ASP 106 4.397 -12.025 -12.025 790 1HB ASP 106 HB1 ASP 106 5.076 -11.900 -11.900 791 2HB ASP 106 HB2 ASP 106 4.123 -10.670 -10.670 792 H SER 107 HN SER 107 4.650 -13.677 -13.677 793 HA SER 107 HA SER 107 5.855 -15.942 -15.942 794 1HB SER 107 HB2 SER 107 4.409 -16.502 -16.502 795 2HB SER 107 HB1 SER 107 4.873 -15.126 -15.126 796 HG SER 107 HG SER 107 5.557 -17.405 -17.405 797 H THR 108 HN THR 108 7.261 -13.341 -13.341 798 HA THR 108 HA THR 108 9.740 -14.810 -14.810 799 HB THR 108 HB THR 108 10.273 -12.289 -12.289 800 HG1 THR 108 HG1 THR 108 8.310 -11.400 -11.400 801 1HG2 THR 108 HG21 THR 108 8.941 -14.553 -14.553 802 2HG2 THR 108 HG23 THR 108 9.358 -13.050 -13.050 803 3HG2 THR 108 HG22 THR 108 10.623 -14.026 -14.026 804 H GLY 109 HN GLY 109 8.354 -12.903 -12.903 805 1HA GLY 109 HA2 GLY 109 9.217 -12.155 -12.155 806 2HA GLY 109 HA1 GLY 109 10.758 -12.863 -12.863 807 H SER 110 HN SER 110 9.604 -10.790 -10.790 808 HA SER 110 HA SER 110 11.683 -8.883 -8.883 809 1HB SER 110 HB1 SER 110 11.492 -8.395 -8.395 810 2HB SER 110 HB2 SER 110 10.349 -9.735 -9.735 811 HG SER 110 HG SER 110 9.468 -7.797 -7.797 812 H LEU 111 HN LEU 111 11.428 -7.407 -7.407 813 HA LEU 111 HA LEU 111 8.986 -6.545 -6.545 814 1HB LEU 111 HB1 LEU 111 11.066 -6.327 -6.327 815 2HB LEU 111 HB2 LEU 111 11.692 -5.210 -5.210 816 HG LEU 111 HG LEU 111 9.526 -3.828 -3.828 817 1HD1 LEU 111 HD23 LEU 111 9.311 -5.919 -5.919 818 2HD1 LEU 111 HD22 LEU 111 10.147 -4.707 -4.707 819 3HD1 LEU 111 HD21 LEU 111 8.594 -4.324 -4.324 820 1HD2 LEU 111 HD11 LEU 111 12.280 -3.725 -3.725 821 2HD2 LEU 111 HD13 LEU 111 11.108 -2.410 -2.410 822 3HD2 LEU 111 HD12 LEU 111 11.466 -3.382 -3.382 823 HA PRO 112 HA PRO 112 7.076 -3.760 -3.760 824 1HB PRO 112 HB2 PRO 112 7.114 -1.940 -1.940 825 2HB PRO 112 HB1 PRO 112 5.793 -2.293 -2.293 826 1HG PRO 112 HG1 PRO 112 5.899 -3.442 -3.442 827 2HG PRO 112 HG2 PRO 112 5.316 -4.329 -4.329 828 1HD PRO 112 HD2 PRO 112 7.851 -4.623 -4.623 829 2HD PRO 112 HD1 PRO 112 6.984 -5.805 -5.805 830 H ILE 113 HN ILE 113 9.766 -2.729 -2.729 831 HA ILE 113 HA ILE 113 10.337 -0.349 -0.349 832 HB ILE 113 HB ILE 113 11.051 -0.868 -0.868 833 1HG1 ILE 113 HG11 ILE 113 11.900 0.988 0.988 834 2HG1 ILE 113 HG12 ILE 113 12.761 0.699 0.699 835 1HG2 ILE 113 HG22 ILE 113 12.033 -3.096 -3.096 836 2HG2 ILE 113 HG21 ILE 113 13.373 -2.214 -2.214 837 3HG2 ILE 113 HG23 ILE 113 13.065 -2.067 -2.067 838 1HD1 ILE 113 HD13 ILE 113 13.567 -0.539 -0.539 839 2HD1 ILE 113 HD12 ILE 113 14.194 1.003 1.003 840 3HD1 ILE 113 HD11 ILE 113 14.488 -0.475 -0.475 841 H HIS 114 HN HIS 114 11.661 -3.637 -3.637 842 HA HIS 114 HA HIS 114 13.777 -3.303 -3.303 843 1HB HIS 114 HB1 HIS 114 11.964 -5.638 -5.638 844 2HB HIS 114 HB2 HIS 114 13.257 -5.757 -5.757 845 HD2 HIS 114 HD2 HIS 114 15.878 -5.516 -5.516 846 HE1 HIS 114 HE1 HIS 114 14.596 -6.264 -6.264 847 HE2 HIS 114 HE2 HIS 114 16.606 -5.919 -5.919 848 H LEU 115 HN LEU 115 10.352 -3.714 -3.714 849 HA LEU 115 HA LEU 115 10.498 -4.180 -4.180 850 1HB LEU 115 HB1 LEU 115 8.408 -2.754 -2.754 851 2HB LEU 115 HB2 LEU 115 8.204 -3.137 -3.137 852 HG LEU 115 HG LEU 115 8.624 -5.579 -5.579 853 1HD1 LEU 115 HD22 LEU 115 8.269 -4.259 -4.259 854 2HD1 LEU 115 HD21 LEU 115 7.792 -5.937 -5.937 855 3HD1 LEU 115 HD23 LEU 115 9.469 -5.449 -5.449 856 1HD2 LEU 115 HD12 LEU 115 6.299 -3.962 -3.962 857 2HD2 LEU 115 HD11 LEU 115 6.443 -5.691 -5.691 858 3HD2 LEU 115 HD13 LEU 115 6.123 -5.118 -5.118 859 H ALA 116 HN ALA 116 9.949 -1.053 -1.053 860 HA ALA 116 HA ALA 116 10.041 0.572 0.572 861 1HB ALA 116 HB2 ALA 116 9.465 1.216 1.216 862 2HB ALA 116 HB1 ALA 116 11.201 1.398 1.398 863 3HB ALA 116 HB3 ALA 116 10.377 2.396 2.396 864 H ILE 117 HN ILE 117 12.637 -0.951 -0.951 865 HA ILE 117 HA ILE 117 14.774 0.588 0.588 866 HB ILE 117 HB ILE 117 14.680 -2.216 -2.216 867 1HG1 ILE 117 HG11 ILE 117 15.841 0.341 0.341 868 2HG1 ILE 117 HG12 ILE 117 14.261 -0.310 -0.310 869 1HG2 ILE 117 HG22 ILE 117 17.017 -0.638 -0.638 870 2HG2 ILE 117 HG21 ILE 117 17.203 -1.938 -1.938 871 3HG2 ILE 117 HG23 ILE 117 16.528 -2.280 -2.280 872 1HD1 ILE 117 HD11 ILE 117 15.952 -2.429 -2.429 873 2HD1 ILE 117 HD13 ILE 117 16.896 -1.034 -1.034 874 3HD1 ILE 117 HD12 ILE 117 15.306 -1.335 -1.335 875 H ARG 118 HN ARG 118 13.104 -2.310 -2.310 876 HA ARG 118 HA ARG 118 14.890 -2.821 -2.821 877 1HB ARG 118 HB1 ARG 118 12.081 -3.789 -3.789 878 2HB ARG 118 HB2 ARG 118 13.580 -4.645 -4.645 879 1HG ARG 118 HG2 ARG 118 13.677 -4.077 -4.077 880 2HG ARG 118 HG1 ARG 118 12.009 -4.564 -4.564 881 1HD ARG 118 HD1 ARG 118 14.318 -6.150 -6.150 882 2HD ARG 118 HD2 ARG 118 13.737 -6.383 -6.383 883 HE ARG 118 HE ARG 118 11.592 -6.515 -6.515 884 1HH1 ARG 118 HH11 ARG 118 14.326 -8.324 -8.324 885 2HH1 ARG 118 HH12 ARG 118 13.621 -9.866 -9.866 886 1HH2 ARG 118 HH21 ARG 118 10.653 -8.540 -8.540 887 2HH2 ARG 118 HH22 ARG 118 11.532 -9.989 -9.989 888 H GLU 119 HN GLU 119 12.399 -0.584 -0.584 889 HA GLU 119 HA GLU 119 11.836 -0.235 -0.235 890 1HB GLU 119 HB1 GLU 119 10.686 1.303 1.303 891 2HB GLU 119 HB2 GLU 119 10.078 1.262 1.262 892 1HG GLU 119 HG2 GLU 119 8.678 -0.304 -0.304 893 2HG GLU 119 HG1 GLU 119 10.069 -1.385 -1.385 894 H GLY 120 HN GLY 120 12.913 1.749 1.749 895 1HA GLY 120 HA2 GLY 120 14.643 3.323 3.323 896 2HA GLY 120 HA1 GLY 120 14.736 3.173 3.173 897 H HIS 121 HN HIS 121 11.607 3.608 3.608 898 HA HIS 121 HA HIS 121 10.764 5.701 5.701 899 1HB HIS 121 HB2 HIS 121 10.202 5.150 5.150 900 2HB HIS 121 HB1 HIS 121 9.325 6.358 6.358 901 HD2 HIS 121 HD2 HIS 121 9.375 2.580 2.580 902 HE1 HIS 121 HE1 HIS 121 6.547 3.367 3.367 903 HE2 HIS 121 HE2 HIS 121 7.343 1.677 1.677 904 H SER 122 HN SER 122 11.912 6.296 6.296 905 HA SER 122 HA SER 122 13.927 8.013 8.013 906 1HB SER 122 HB2 SER 122 13.000 9.506 9.506 907 2HB SER 122 HB1 SER 122 11.390 9.394 9.394 908 HG SER 122 HG SER 122 13.618 10.593 10.593 909 H SER 123 HN SER 123 11.072 9.565 9.565 910 HA SER 123 HA SER 123 12.169 9.589 9.589 911 1HB SER 123 HB2 SER 123 10.410 11.193 11.193 912 2HB SER 123 HB1 SER 123 9.306 10.246 10.246 913 HG SER 123 HG SER 123 10.037 12.114 12.114 914 H VAL 124 HN VAL 124 10.316 7.360 7.360 915 HA VAL 124 HA VAL 124 8.730 6.280 6.280 916 HB VAL 124 HB VAL 124 9.682 5.061 5.061 917 1HG1 VAL 124 HG11 VAL 124 9.198 3.371 3.371 918 2HG1 VAL 124 HG13 VAL 124 7.544 3.980 3.980 919 3HG1 VAL 124 HG12 VAL 124 8.183 3.245 3.245 920 1HG2 VAL 124 HG22 VAL 124 8.151 6.973 6.973 921 2HG2 VAL 124 HG21 VAL 124 7.409 5.469 5.469 922 3HG2 VAL 124 HG23 VAL 124 6.988 6.138 6.138 923 H VAL 125 HN VAL 125 11.586 4.832 4.832 924 HA VAL 125 HA VAL 125 12.036 2.809 2.809 925 HB VAL 125 HB VAL 125 14.346 4.247 4.247 926 1HG1 VAL 125 HG12 VAL 125 14.440 2.125 2.125 927 2HG1 VAL 125 HG11 VAL 125 13.899 1.295 1.295 928 3HG1 VAL 125 HG13 VAL 125 15.412 2.202 2.202 929 1HG2 VAL 125 HG22 VAL 125 12.125 2.805 2.805 930 2HG2 VAL 125 HG21 VAL 125 13.027 4.230 4.230 931 3HG2 VAL 125 HG23 VAL 125 13.766 2.633 2.633 932 H SER 126 HN SER 126 13.179 6.155 6.155 933 HA SER 126 HA SER 126 14.772 5.820 5.820 934 1HB SER 126 HB2 SER 126 14.974 8.250 8.250 935 2HB SER 126 HB1 SER 126 15.168 7.624 7.624 936 HG SER 126 HG SER 126 13.145 9.179 9.179 937 H PHE 127 HN PHE 127 11.454 6.630 6.630 938 HA PHE 127 HA PHE 127 10.885 7.621 7.621 939 1HB PHE 127 HB1 PHE 127 9.421 8.344 8.344 940 2HB PHE 127 HB2 PHE 127 9.152 6.701 6.701 941 HD1 PHE 127 HD2 PHE 127 8.502 8.997 8.997 942 HD2 PHE 127 HD1 PHE 127 7.377 5.415 5.415 943 HE1 PHE 127 HE2 PHE 127 6.484 8.840 8.840 944 HE2 PHE 127 HE1 PHE 127 5.357 5.252 5.252 945 HZ PHE 127 HZ PHE 127 4.910 6.965 6.965 946 H LEU 128 HN LEU 128 10.126 4.553 4.553 947 HA LEU 128 HA LEU 128 8.951 3.276 3.276 948 1HB LEU 128 HB2 LEU 128 9.986 2.501 2.501 949 2HB LEU 128 HB1 LEU 128 10.141 1.235 1.235 950 HG LEU 128 HG LEU 128 7.518 2.273 2.273 951 1HD1 LEU 128 HD21 LEU 128 8.443 2.722 2.722 952 2HD1 LEU 128 HD23 LEU 128 7.457 1.262 1.262 953 3HD1 LEU 128 HD22 LEU 128 6.772 2.748 2.748 954 1HD2 LEU 128 HD12 LEU 128 8.885 -0.211 -0.211 955 2HD2 LEU 128 HD11 LEU 128 7.276 0.099 0.099 956 3HD2 LEU 128 HD13 LEU 128 7.488 -0.184 -0.184 957 H ALA 129 HN ALA 129 12.223 4.034 4.034 958 HA ALA 129 HA ALA 129 13.624 2.014 2.014 959 1HB ALA 129 HB3 ALA 129 14.144 4.726 4.726 960 2HB ALA 129 HB2 ALA 129 14.971 4.357 4.357 961 3HB ALA 129 HB1 ALA 129 15.241 3.347 3.347 962 HA PRO 130 HA PRO 130 13.416 4.260 4.260 963 1HB PRO 130 HB1 PRO 130 11.942 6.550 6.550 964 2HB PRO 130 HB2 PRO 130 13.668 6.528 6.528 965 1HG PRO 130 HG2 PRO 130 11.319 6.747 6.747 966 2HG PRO 130 HG1 PRO 130 12.850 7.641 7.641 967 1HD PRO 130 HD2 PRO 130 12.375 5.561 5.561 968 2HD PRO 130 HD1 PRO 130 13.993 5.901 5.901 969 H GLU 131 HN GLU 131 10.476 4.671 4.671 970 HA GLU 131 HA GLU 131 8.644 4.258 4.258 971 1HB GLU 131 HB1 GLU 131 8.410 4.002 4.002 972 2HB GLU 131 HB2 GLU 131 7.055 3.676 3.676 973 1HG GLU 131 HG2 GLU 131 6.610 5.842 5.842 974 2HG GLU 131 HG1 GLU 131 7.751 6.078 6.078 975 H SER 132 HN SER 132 10.600 2.104 2.104 976 HA SER 132 HA SER 132 9.089 -0.195 -0.195 977 1HB SER 132 HB1 SER 132 11.028 -0.258 -0.258 978 2HB SER 132 HB2 SER 132 9.881 -1.509 -1.509 979 HG SER 132 HG SER 132 8.667 0.880 0.880 980 H ASP 133 HN ASP 133 10.215 -1.913 -1.913 981 HA ASP 133 HA ASP 133 12.141 -1.436 -1.436 982 1HB ASP 133 HB1 ASP 133 12.852 -3.980 -3.980 983 2HB ASP 133 HB2 ASP 133 11.167 -3.819 -3.819 984 H LEU 134 HN LEU 134 14.015 -0.406 -0.406 985 HA LEU 134 HA LEU 134 15.487 -0.279 -0.279 986 1HB LEU 134 HB2 LEU 134 15.811 0.644 0.644 987 2HB LEU 134 HB1 LEU 134 17.297 0.434 0.434 988 HG LEU 134 HG LEU 134 15.038 2.335 2.335 989 1HD1 LEU 134 HD13 LEU 134 17.973 2.529 2.529 990 2HD1 LEU 134 HD12 LEU 134 17.126 3.832 3.832 991 3HD1 LEU 134 HD11 LEU 134 16.635 3.358 3.358 992 1HD2 LEU 134 HD22 LEU 134 17.077 1.310 1.310 993 2HD2 LEU 134 HD21 LEU 134 15.330 1.446 1.446 994 3HD2 LEU 134 HD23 LEU 134 16.330 2.898 2.898 995 H HIS 135 HN HIS 135 15.215 -2.739 -2.739 996 HA HIS 135 HA HIS 135 17.761 -3.925 -3.925 997 1HB HIS 135 HB2 HIS 135 16.697 -3.556 -3.556 998 2HB HIS 135 HB1 HIS 135 17.068 -5.245 -5.245 999 HD2 HIS 135 HD2 HIS 135 19.631 -5.895 -5.895 1000 HE1 HIS 135 HE1 HIS 135 21.217 -1.974 -1.974 1001 HE2 HIS 135 HE2 HIS 135 21.775 -4.436 -4.436 1002 H HIS 136 HN HIS 136 15.359 -4.173 -4.173 1003 HA HIS 136 HA HIS 136 14.488 -6.919 -6.919 1004 1HB HIS 136 HB1 HIS 136 12.983 -4.677 -4.677 1005 2HB HIS 136 HB2 HIS 136 13.040 -5.469 -5.469 1006 HD2 HIS 136 HD2 HIS 136 12.274 -8.346 -8.346 1007 HE1 HIS 136 HE1 HIS 136 9.540 -7.295 -7.295 1008 HE2 HIS 136 HE2 HIS 136 10.331 -9.151 -9.151 1009 H ARG 137 HN ARG 137 14.745 -8.538 -8.538 1010 HA ARG 137 HA ARG 137 15.977 -7.857 -7.857 1011 1HB ARG 137 HB2 ARG 137 16.833 -10.420 -10.420 1012 2HB ARG 137 HB1 ARG 137 17.774 -9.181 -9.181 1013 1HG ARG 137 HG2 ARG 137 17.732 -7.851 -7.851 1014 2HG ARG 137 HG1 ARG 137 16.947 -9.221 -9.221 1015 1HD ARG 137 HD1 ARG 137 19.476 -9.701 -9.701 1016 2HD ARG 137 HD2 ARG 137 19.565 -8.900 -8.900 1017 HE ARG 137 HE ARG 137 19.172 -11.648 -11.648 1018 1HH1 ARG 137 HH21 ARG 137 17.996 -9.044 -9.044 1019 2HH1 ARG 137 HH22 ARG 137 17.563 -10.076 -10.076 1020 1HH2 ARG 137 HH11 ARG 137 18.605 -13.018 -13.018 1021 2HH2 ARG 137 HH12 ARG 137 17.909 -12.336 -12.336 1022 H ASP 138 HN ASP 138 15.817 -9.639 -9.639 1023 HA ASP 138 HA ASP 138 13.181 -10.891 -10.891 1024 1HB ASP 138 HB2 ASP 138 14.621 -11.200 -11.200 1025 2HB ASP 138 HB1 ASP 138 12.991 -10.605 -10.605 1026 H ALA 139 HN ALA 139 12.911 -13.101 -13.101 1027 HA ALA 139 HA ALA 139 14.571 -14.931 -14.931 1028 1HB ALA 139 HB3 ALA 139 12.514 -15.251 -15.251 1029 2HB ALA 139 HB2 ALA 139 13.396 -16.630 -16.630 1030 3HB ALA 139 HB1 ALA 139 12.384 -15.645 -15.645 1031 H SER 140 HN SER 140 15.009 -13.296 -13.296 1032 HA SER 140 HA SER 140 16.749 -15.278 -15.278 1033 1HB SER 140 HB2 SER 140 15.194 -13.318 -13.318 1034 2HB SER 140 HB1 SER 140 16.771 -12.529 -12.529 1035 HG SER 140 HG SER 140 15.838 -14.522 -14.522 1036 H GLY 141 HN GLY 141 17.004 -12.268 -12.268 1037 1HA GLY 141 HA2 GLY 141 18.874 -11.787 -11.787 1038 2HA GLY 141 HA1 GLY 141 19.870 -12.795 -12.795 1039 H LEU 142 HN LEU 142 18.000 -9.773 -9.773 1040 HA LEU 142 HA LEU 142 20.208 -8.426 -8.426 1041 1HB LEU 142 HB2 LEU 142 17.560 -8.907 -8.907 1042 2HB LEU 142 HB1 LEU 142 18.444 -7.431 -7.431 1043 HG LEU 142 HG LEU 142 19.457 -10.239 -10.239 1044 1HD1 LEU 142 HD12 LEU 142 17.654 -8.815 -8.815 1045 2HD1 LEU 142 HD11 LEU 142 19.197 -8.449 -8.449 1046 3HD1 LEU 142 HD13 LEU 142 18.682 -10.125 -10.125 1047 1HD2 LEU 142 HD21 LEU 142 20.707 -7.540 -7.540 1048 2HD2 LEU 142 HD23 LEU 142 21.337 -8.910 -8.910 1049 3HD2 LEU 142 HD22 LEU 142 21.257 -8.988 -8.988 1050 H THR 143 HN THR 143 19.791 -7.793 -7.793 1051 HA THR 143 HA THR 143 17.767 -6.294 -6.294 1052 HB THR 143 HB THR 143 20.065 -4.842 -4.842 1053 HG1 THR 143 HG1 THR 143 21.676 -6.190 -6.190 1054 1HG2 THR 143 HG21 THR 143 18.105 -6.201 -6.201 1055 2HG2 THR 143 HG23 THR 143 19.515 -7.211 -7.211 1056 3HG2 THR 143 HG22 THR 143 19.533 -5.503 -5.503 1057 HA PRO 144 HA PRO 144 16.984 -2.415 -2.415 1058 1HB PRO 144 HB2 PRO 144 18.442 -1.068 -1.068 1059 2HB PRO 144 HB1 PRO 144 16.861 -0.694 -0.694 1060 1HG PRO 144 HG2 PRO 144 17.066 -1.998 -1.998 1061 2HG PRO 144 HG1 PRO 144 15.803 -2.408 -2.408 1062 1HD PRO 144 HD2 PRO 144 18.272 -3.890 -3.890 1063 2HD PRO 144 HD1 PRO 144 16.722 -4.503 -4.503 1064 H LEU 145 HN LEU 145 20.193 -2.288 -2.288 1065 HA LEU 145 HA LEU 145 21.329 -0.611 -0.611 1066 1HB LEU 145 HB2 LEU 145 22.124 -1.735 -1.735 1067 2HB LEU 145 HB1 LEU 145 23.349 -2.146 -2.146 1068 HG LEU 145 HG LEU 145 22.388 0.637 0.637 1069 1HD1 LEU 145 HD11 LEU 145 24.580 -1.056 -1.056 1070 2HD1 LEU 145 HD13 LEU 145 25.054 0.574 0.574 1071 3HD1 LEU 145 HD12 LEU 145 23.806 0.342 0.342 1072 1HD2 LEU 145 HD21 LEU 145 24.178 -0.431 -0.431 1073 2HD2 LEU 145 HD23 LEU 145 22.965 0.847 0.847 1074 3HD2 LEU 145 HD22 LEU 145 24.513 1.150 1.150 1075 H GLU 146 HN GLU 146 21.299 -4.092 -4.092 1076 HA GLU 146 HA GLU 146 23.143 -4.918 -4.918 1077 1HB GLU 146 HB2 GLU 146 20.758 -6.127 -6.127 1078 2HB GLU 146 HB1 GLU 146 21.323 -6.898 -6.898 1079 1HG GLU 146 HG2 GLU 146 22.206 -7.616 -7.616 1080 2HG GLU 146 HG1 GLU 146 23.245 -7.637 -7.637 1081 H LEU 147 HN LEU 147 19.608 -4.823 -4.823 1082 HA LEU 147 HA LEU 147 19.670 -5.214 -5.214 1083 1HB LEU 147 HB2 LEU 147 17.676 -5.213 -5.213 1084 2HB LEU 147 HB1 LEU 147 17.599 -3.492 -3.492 1085 HG LEU 147 HG LEU 147 17.316 -4.014 -4.014 1086 1HD1 LEU 147 HD21 LEU 147 18.401 -6.293 -6.293 1087 2HD1 LEU 147 HD23 LEU 147 16.859 -6.853 -6.853 1088 3HD1 LEU 147 HD22 LEU 147 16.946 -6.207 -6.207 1089 1HD2 LEU 147 HD11 LEU 147 15.453 -4.168 -4.168 1090 2HD2 LEU 147 HD13 LEU 147 15.133 -3.873 -3.873 1091 3HD2 LEU 147 HD12 LEU 147 15.080 -5.517 -5.517 1092 H ALA 148 HN ALA 148 19.778 -2.221 -2.221 1093 HA ALA 148 HA ALA 148 19.558 -0.360 -0.360 1094 1HB ALA 148 HB1 ALA 148 20.589 -0.383 -0.383 1095 2HB ALA 148 HB3 ALA 148 21.417 0.776 0.776 1096 3HB ALA 148 HB2 ALA 148 19.665 0.853 0.853 1097 H ARG 149 HN ARG 149 22.388 -2.182 -2.182 1098 HA ARG 149 HA ARG 149 24.300 -0.881 -0.881 1099 1HB ARG 149 HB2 ARG 149 24.642 -2.581 -2.581 1100 2HB ARG 149 HB1 ARG 149 24.444 -3.808 -3.808 1101 1HG ARG 149 HG1 ARG 149 26.614 -3.628 -3.628 1102 2HG ARG 149 HG2 ARG 149 26.295 -2.020 -2.020 1103 1HD ARG 149 HD2 ARG 149 26.346 -1.470 -1.470 1104 2HD ARG 149 HD1 ARG 149 27.482 -2.818 -2.818 1105 HE ARG 149 HE ARG 149 28.119 -1.000 -1.000 1106 1HH1 ARG 149 HH11 ARG 149 28.149 -1.232 -1.232 1107 2HH1 ARG 149 HH12 ARG 149 29.482 -0.142 -0.142 1108 1HH2 ARG 149 HH21 ARG 149 29.875 0.437 0.437 1109 2HH2 ARG 149 HH22 ARG 149 30.462 0.809 0.809 1110 H GLN 150 HN GLN 150 22.158 -3.619 -3.619 1111 HA GLN 150 HA GLN 150 23.161 -4.272 -4.272 1112 1HB GLN 150 HB1 GLN 150 21.935 -5.963 -5.963 1113 2HB GLN 150 HB2 GLN 150 20.582 -4.881 -4.881 1114 1HG GLN 150 HG1 GLN 150 19.759 -6.179 -6.179 1115 2HG GLN 150 HG2 GLN 150 20.414 -4.813 -4.813 1116 1HE2 GLN 150 HE22 GLN 150 22.684 -8.220 -8.220 1117 2HE2 GLN 150 HE21 GLN 150 21.943 -7.653 -7.653 1118 H ARG 151 HN ARG 151 19.847 -3.188 -3.188 1119 HA ARG 151 HA ARG 151 19.717 -1.820 -1.820 1120 1HB ARG 151 HB2 ARG 151 17.847 -2.875 -2.875 1121 2HB ARG 151 HB1 ARG 151 17.654 -1.143 -1.143 1122 1HG ARG 151 HG2 ARG 151 16.200 -1.414 -1.414 1123 2HG ARG 151 HG1 ARG 151 17.668 -1.193 -1.193 1124 1HD ARG 151 HD2 ARG 151 17.484 -3.936 -3.936 1125 2HD ARG 151 HD1 ARG 151 15.913 -3.430 -3.430 1126 HE ARG 151 HE ARG 151 18.016 -2.508 -2.508 1127 1HH1 ARG 151 HH21 ARG 151 16.190 -5.354 -5.354 1128 2HH1 ARG 151 HH22 ARG 151 16.412 -6.107 -6.107 1129 1HH2 ARG 151 HH11 ARG 151 18.317 -3.492 -3.492 1130 2HH2 ARG 151 HH12 ARG 151 17.623 -5.048 -5.048 1131 H GLY 152 HN GLY 152 21.669 -0.503 -0.503 1132 1HA GLY 152 HA1 GLY 152 21.490 1.518 1.518 1133 2HA GLY 152 HA2 GLY 152 22.690 1.427 1.427 1134 H ALA 153 HN ALA 153 19.153 1.712 1.712 1135 HA ALA 153 HA ALA 153 19.151 3.570 3.570 1136 1HB ALA 153 HB3 ALA 153 17.219 2.238 2.238 1137 2HB ALA 153 HB2 ALA 153 17.007 3.840 3.840 1138 3HB ALA 153 HB1 ALA 153 16.895 3.628 3.628 1139 H GLN 154 HN GLN 154 19.624 5.706 5.706 1140 HA GLN 154 HA GLN 154 20.709 7.606 7.606 1141 1HB GLN 154 HB2 GLN 154 18.551 8.306 8.306 1142 2HB GLN 154 HB1 GLN 154 19.035 9.059 9.059 1143 1HG GLN 154 HG2 GLN 154 16.780 8.373 8.373 1144 2HG GLN 154 HG1 GLN 154 17.769 7.313 7.313 1145 1HE2 GLN 154 HE22 GLN 154 16.808 5.453 5.453 1146 2HE2 GLN 154 HE21 GLN 154 17.710 6.922 6.922 1147 H ASN 155 HN ASN 155 20.122 8.935 8.935 1148 HA ASN 155 HA ASN 155 22.144 7.672 7.672 1149 1HB ASN 155 HB2 ASN 155 20.396 10.045 10.045 1150 2HB ASN 155 HB1 ASN 155 21.884 9.577 9.577 1151 1HD2 ASN 155 HD22 ASN 155 23.841 10.410 10.410 1152 2HD2 ASN 155 HD21 ASN 155 23.557 9.003 9.003 1153 H LEU 156 HN LEU 156 19.978 5.866 5.866 1154 HA LEU 156 HA LEU 156 18.278 6.091 6.091 1155 1HB LEU 156 HB2 LEU 156 17.141 4.415 4.415 1156 2HB LEU 156 HB1 LEU 156 18.230 4.558 4.558 1157 HG LEU 156 HG LEU 156 19.698 2.833 2.833 1158 1HD1 LEU 156 HD22 LEU 156 17.472 3.015 3.015 1159 2HD1 LEU 156 HD21 LEU 156 18.020 1.387 1.387 1160 3HD1 LEU 156 HD23 LEU 156 19.159 2.566 2.566 1161 1HD2 LEU 156 HD13 LEU 156 16.906 2.091 2.091 1162 2HD2 LEU 156 HD12 LEU 156 18.332 2.233 2.233 1163 3HD2 LEU 156 HD11 LEU 156 18.238 0.949 0.949 1164 H MET 157 HN MET 157 21.089 4.032 4.032 1165 HA MET 157 HA MET 157 21.215 2.623 2.623 1166 1HB MET 157 HB2 MET 157 23.761 2.691 2.691 1167 2HB MET 157 HB1 MET 157 22.700 1.922 1.922 1168 1HG MET 157 HG1 MET 157 23.131 4.774 4.774 1169 2HG MET 157 HG2 MET 157 24.592 3.793 3.793 1170 1HE MET 157 HE3 MET 157 24.364 1.438 1.438 1171 2HE MET 157 HE2 MET 157 23.411 0.966 0.966 1172 3HE MET 157 HE1 MET 157 24.864 1.942 1.942 1173 H ASP 158 HN ASP 158 22.105 5.928 5.928 1174 HA ASP 158 HA ASP 158 23.568 6.335 6.335 1175 1HB ASP 158 HB1 ASP 158 22.958 7.837 7.837 1176 2HB ASP 158 HB2 ASP 158 22.570 8.813 8.813 1177 H ILE 159 HN ILE 159 20.306 7.239 7.239 1178 HA ILE 159 HA ILE 159 19.446 8.586 8.586 1179 HB ILE 159 HB ILE 159 17.316 6.869 6.869 1180 1HG1 ILE 159 HG11 ILE 159 18.773 8.565 8.565 1181 2HG1 ILE 159 HG12 ILE 159 18.735 6.813 6.813 1182 1HG2 ILE 159 HG21 ILE 159 17.893 9.789 9.789 1183 2HG2 ILE 159 HG23 ILE 159 16.464 9.191 9.191 1184 3HG2 ILE 159 HG22 ILE 159 16.696 8.835 8.835 1185 1HD1 ILE 159 HD11 ILE 159 16.299 6.879 6.879 1186 2HD1 ILE 159 HD13 ILE 159 16.398 8.635 8.635 1187 3HD1 ILE 159 HD12 ILE 159 17.190 7.612 7.612 1188 H LEU 160 HN LEU 160 18.850 5.122 5.122 1189 HA LEU 160 HA LEU 160 17.798 4.512 4.512 1190 1HB LEU 160 HB2 LEU 160 19.298 2.774 2.774 1191 2HB LEU 160 HB1 LEU 160 18.488 2.154 2.154 1192 HG LEU 160 HG LEU 160 16.361 3.229 3.229 1193 1HD1 LEU 160 HD22 LEU 160 18.225 3.414 3.414 1194 2HD1 LEU 160 HD21 LEU 160 16.479 3.280 3.280 1195 3HD1 LEU 160 HD23 LEU 160 17.159 4.651 4.651 1196 1HD2 LEU 160 HD11 LEU 160 17.762 0.781 0.781 1197 2HD2 LEU 160 HD13 LEU 160 16.209 0.970 0.970 1198 3HD2 LEU 160 HD12 LEU 160 16.339 1.270 1.270 1199 H GLN 161 HN GLN 161 21.079 3.698 3.698 1200 HA GLN 161 HA GLN 161 22.131 2.909 2.909 1201 1HB GLN 161 HB2 GLN 161 24.090 2.749 2.749 1202 2HB GLN 161 HB1 GLN 161 23.079 3.062 3.062 1203 1HG GLN 161 HG1 GLN 161 23.637 5.454 5.454 1204 2HG GLN 161 HG2 GLN 161 24.709 5.091 5.091 1205 1HE2 GLN 161 HE22 GLN 161 27.299 4.852 4.852 1206 2HE2 GLN 161 HE21 GLN 161 26.616 5.644 5.644 1207 H GLY 162 HN GLY 162 21.791 6.158 6.158 1208 1HA GLY 162 HA1 GLY 162 23.362 7.490 7.490 1209 2HA GLY 162 HA2 GLY 162 22.126 8.231 8.231 1210 H HIS 163 HN HIS 163 19.851 6.984 6.984 1211 HA HIS 163 HA HIS 163 19.314 8.235 8.235 1212 1HB HIS 163 HB2 HIS 163 17.799 7.143 7.143 1213 2HB HIS 163 HB1 HIS 163 17.186 6.491 6.491 1214 HD2 HIS 163 HD2 HIS 163 16.047 9.080 9.080 1215 HE1 HIS 163 HE1 HIS 163 16.008 10.949 10.949 1216 HE2 HIS 163 HE2 HIS 163 15.043 10.980 10.980 1217 H MET 164 HN MET 164 20.384 5.135 5.135 1218 HA MET 164 HA MET 164 19.350 3.677 3.677 1219 1HB MET 164 HB1 MET 164 20.360 2.938 2.938 1220 2HB MET 164 HB2 MET 164 21.755 2.650 2.650 1221 1HG MET 164 HG1 MET 164 20.042 1.396 1.396 1222 2HG MET 164 HG2 MET 164 19.077 1.342 1.342 1223 1HE MET 164 HE2 MET 164 21.350 1.375 1.375 1224 2HE MET 164 HE1 MET 164 21.887 -0.280 -0.280 1225 3HE MET 164 HE3 MET 164 20.166 0.103 0.103 1226 H MET 165 HN MET 165 21.534 2.232 2.232 1227 HA MET 165 HA MET 165 23.504 4.108 4.108 1228 1HB MET 165 HB2 MET 165 21.417 4.069 4.069 1229 2HB MET 165 HB1 MET 165 21.971 2.467 2.467 1230 1HG MET 165 HG1 MET 165 22.717 4.141 4.141 1231 2HG MET 165 HG2 MET 165 24.087 3.408 3.408 1232 1HE MET 165 HE2 MET 165 25.875 4.569 4.569 1233 2HE MET 165 HE1 MET 165 25.672 5.053 5.053 1234 3HE MET 165 HE3 MET 165 26.113 6.253 6.253 1235 H ILE 166 HN ILE 166 24.527 2.500 2.500 1236 HA ILE 166 HA ILE 166 25.708 0.354 0.354 1237 HB ILE 166 HB ILE 166 23.834 -0.617 -0.617 1238 1HG1 ILE 166 HG11 ILE 166 25.819 -2.142 -2.142 1239 2HG1 ILE 166 HG12 ILE 166 26.593 -1.486 -1.486 1240 1HG2 ILE 166 HG22 ILE 166 25.039 0.928 0.928 1241 2HG2 ILE 166 HG21 ILE 166 25.203 -0.768 -0.768 1242 3HG2 ILE 166 HG23 ILE 166 23.608 -0.098 -0.098 1243 1HD1 ILE 166 HD11 ILE 166 23.923 -2.824 -2.824 1244 2HD1 ILE 166 HD13 ILE 166 25.423 -3.750 -3.750 1245 3HD1 ILE 166 HD12 ILE 166 25.108 -2.555 -2.555 1246 HA PRO 167 HA PRO 167 28.563 2.787 2.787 1247 1HB PRO 167 HB2 PRO 167 29.822 4.328 4.328 1248 2HB PRO 167 HB1 PRO 167 28.338 4.837 4.837 1249 1HG PRO 167 HG2 PRO 167 28.696 3.659 3.659 1250 2HG PRO 167 HG1 PRO 167 27.665 5.008 5.008 1251 1HD PRO 167 HD2 PRO 167 26.715 2.495 2.495 1252 2HD PRO 167 HD1 PRO 167 26.011 3.612 3.612 1253 H MET 168 HN MET 168 30.986 2.820 2.820 1254 HA MET 168 HA MET 168 32.094 0.911 0.911 1255 1HB MET 168 HB2 MET 168 32.401 0.638 0.638 1256 2HB MET 168 HB1 MET 168 33.245 -0.329 -0.329 1257 1HG MET 168 HG1 MET 168 30.251 -0.234 -0.234 1258 2HG MET 168 HG2 MET 168 31.261 -1.416 -1.416 1259 1HE MET 168 HE2 MET 168 29.029 -2.413 -2.413 1260 2HE MET 168 HE1 MET 168 29.298 -3.065 -3.065 1261 3HE MET 168 HE3 MET 168 28.910 -1.357 -1.357 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -32.551 -21.398 -21.398 2 2H GLY 1 HT3 GLY 1 -33.760 -21.030 -21.030 3 3H GLY 1 HT2 GLY 1 -32.476 -22.042 -22.042 4 1HA GLY 1 HA1 GLY 1 -32.083 -19.908 -19.908 5 2HA GLY 1 HA2 GLY 1 -32.348 -19.140 -19.140 6 H SER 2 HN SER 2 -30.222 -18.183 -18.183 7 HA SER 2 HA SER 2 -27.920 -19.924 -19.924 8 1HB SER 2 HB1 SER 2 -27.650 -16.981 -16.981 9 2HB SER 2 HB2 SER 2 -26.668 -18.088 -18.088 10 HG SER 2 HG SER 2 -28.582 -18.223 -18.223 11 H MET 3 HN MET 3 -28.901 -17.127 -17.127 12 HA MET 3 HA MET 3 -28.559 -16.641 -16.641 13 1HB MET 3 HB1 MET 3 -29.622 -19.326 -19.326 14 2HB MET 3 HB2 MET 3 -28.596 -19.143 -19.143 15 1HG MET 3 HG1 MET 3 -30.750 -17.164 -17.164 16 2HG MET 3 HG2 MET 3 -31.086 -18.648 -18.648 17 1HE MET 3 HE2 MET 3 -32.108 -16.657 -16.657 18 2HE MET 3 HE1 MET 3 -31.604 -18.030 -18.030 19 3HE MET 3 HE3 MET 3 -31.217 -16.387 -16.387 20 H LEU 4 HN LEU 4 -26.216 -16.689 -16.689 21 HA LEU 4 HA LEU 4 -24.382 -17.812 -17.812 22 1HB LEU 4 HB2 LEU 4 -24.612 -18.993 -18.993 23 2HB LEU 4 HB1 LEU 4 -23.464 -17.741 -17.741 24 HG LEU 4 HG LEU 4 -22.486 -18.885 -18.885 25 1HD1 LEU 4 HD13 LEU 4 -23.680 -20.896 -20.896 26 2HD1 LEU 4 HD12 LEU 4 -22.225 -21.276 -21.276 27 3HD1 LEU 4 HD11 LEU 4 -23.714 -20.847 -20.847 28 1HD2 LEU 4 HD21 LEU 4 -21.664 -19.227 -19.227 29 2HD2 LEU 4 HD23 LEU 4 -21.111 -17.981 -17.981 30 3HD2 LEU 4 HD22 LEU 4 -20.676 -19.668 -19.668 31 H LEU 5 HN LEU 5 -25.565 -15.101 -15.101 32 HA LEU 5 HA LEU 5 -24.901 -12.928 -12.928 33 1HB LEU 5 HB1 LEU 5 -23.724 -13.760 -13.760 34 2HB LEU 5 HB2 LEU 5 -22.273 -13.872 -13.872 35 HG LEU 5 HG LEU 5 -22.668 -11.383 -11.383 36 1HD1 LEU 5 HD22 LEU 5 -24.459 -11.730 -11.730 37 2HD1 LEU 5 HD21 LEU 5 -23.867 -10.177 -10.177 38 3HD1 LEU 5 HD23 LEU 5 -24.920 -11.162 -11.162 39 1HD2 LEU 5 HD11 LEU 5 -21.391 -12.725 -12.725 40 2HD2 LEU 5 HD13 LEU 5 -20.902 -11.254 -11.254 41 3HD2 LEU 5 HD12 LEU 5 -21.986 -11.158 -11.158 42 H GLU 6 HN GLU 6 -24.477 -11.914 -11.914 43 HA GLU 6 HA GLU 6 -21.965 -11.785 -11.785 44 1HB GLU 6 HB2 GLU 6 -22.373 -14.099 -14.099 45 2HB GLU 6 HB1 GLU 6 -23.909 -13.642 -13.642 46 1HG GLU 6 HG1 GLU 6 -22.886 -13.264 -13.264 47 2HG GLU 6 HG2 GLU 6 -21.922 -12.002 -12.002 48 H GLU 7 HN GLU 7 -22.169 -9.694 -9.694 49 HA GLU 7 HA GLU 7 -24.574 -8.828 -8.828 50 1HB GLU 7 HB2 GLU 7 -22.996 -7.617 -7.617 51 2HB GLU 7 HB1 GLU 7 -23.365 -6.514 -6.514 52 1HG GLU 7 HG2 GLU 7 -25.610 -8.145 -8.145 53 2HG GLU 7 HG1 GLU 7 -24.979 -6.926 -6.926 54 H VAL 8 HN VAL 8 -24.136 -8.849 -8.849 55 HA VAL 8 HA VAL 8 -21.571 -7.705 -7.705 56 HB VAL 8 HB VAL 8 -23.332 -9.693 -9.693 57 1HG1 VAL 8 HG12 VAL 8 -20.897 -8.167 -8.167 58 2HG1 VAL 8 HG11 VAL 8 -21.137 -9.799 -9.799 59 3HG1 VAL 8 HG13 VAL 8 -22.343 -8.550 -8.550 60 1HG2 VAL 8 HG21 VAL 8 -21.332 -10.057 -10.057 61 2HG2 VAL 8 HG23 VAL 8 -22.241 -11.280 -11.280 62 3HG2 VAL 8 HG22 VAL 8 -20.715 -10.670 -10.670 63 H CYS 9 HN CYS 9 -24.876 -7.176 -7.176 64 HA CYS 9 HA CYS 9 -25.697 -6.116 -6.116 65 1HB CYS 9 HB2 CYS 9 -27.252 -6.094 -6.094 66 2HB CYS 9 HB1 CYS 9 -26.174 -5.183 -5.183 67 HG CYS 9 HG CYS 9 -26.728 -3.043 -3.043 68 H VAL 10 HN VAL 10 -23.574 -4.570 -4.570 69 HA VAL 10 HA VAL 10 -23.256 -2.253 -2.253 70 HB VAL 10 HB VAL 10 -23.598 -1.775 -1.775 71 1HG1 VAL 10 HG22 VAL 10 -21.567 -3.848 -3.848 72 2HG1 VAL 10 HG21 VAL 10 -21.279 -2.421 -2.421 73 3HG1 VAL 10 HG23 VAL 10 -22.806 -3.293 -3.293 74 1HG2 VAL 10 HG13 VAL 10 -22.051 -0.394 -0.394 75 2HG2 VAL 10 HG12 VAL 10 -21.902 -0.172 -0.172 76 3HG2 VAL 10 HG11 VAL 10 -20.722 -1.156 -1.156 77 H GLY 11 HN GLY 11 -21.767 -5.216 -5.216 78 1HA GLY 11 HA2 GLY 11 -19.058 -4.752 -4.752 79 2HA GLY 11 HA1 GLY 11 -19.847 -6.163 -6.163 80 H ASP 12 HN ASP 12 -17.736 -3.873 -3.873 81 HA ASP 12 HA ASP 12 -16.783 -3.443 -3.443 82 1HB ASP 12 HB1 ASP 12 -18.358 -5.387 -5.387 83 2HB ASP 12 HB2 ASP 12 -19.330 -4.068 -4.068 84 H ARG 13 HN ARG 13 -19.124 -1.978 -1.978 85 HA ARG 13 HA ARG 13 -20.055 -0.022 -0.022 86 1HB ARG 13 HB2 ARG 13 -21.261 -0.656 -0.656 87 2HB ARG 13 HB1 ARG 13 -19.994 0.140 0.140 88 1HG ARG 13 HG1 ARG 13 -21.940 1.569 1.569 89 2HG ARG 13 HG2 ARG 13 -20.551 2.267 2.267 90 1HD ARG 13 HD2 ARG 13 -21.516 2.088 2.088 91 2HD ARG 13 HD1 ARG 13 -22.233 0.520 0.520 92 HE ARG 13 HE ARG 13 -23.632 2.392 2.392 93 1HH1 ARG 13 HH21 ARG 13 -23.012 1.722 1.722 94 2HH1 ARG 13 HH22 ARG 13 -24.518 2.382 2.382 95 1HH2 ARG 13 HH11 ARG 13 -25.620 3.264 3.264 96 2HH2 ARG 13 HH12 ARG 13 -26.001 3.258 3.258 97 H LEU 14 HN LEU 14 -18.179 0.597 0.597 98 HA LEU 14 HA LEU 14 -17.025 2.965 2.965 99 1HB LEU 14 HB2 LEU 14 -17.146 3.250 3.250 100 2HB LEU 14 HB1 LEU 14 -16.987 1.538 1.538 101 HG LEU 14 HG LEU 14 -14.513 1.791 1.791 102 1HD1 LEU 14 HD22 LEU 14 -15.022 4.082 4.082 103 2HD1 LEU 14 HD21 LEU 14 -14.880 4.708 4.708 104 3HD1 LEU 14 HD23 LEU 14 -13.525 3.853 3.853 105 1HD2 LEU 14 HD11 LEU 14 -15.979 2.215 2.215 106 2HD2 LEU 14 HD13 LEU 14 -14.247 1.897 1.897 107 3HD2 LEU 14 HD12 LEU 14 -14.837 3.558 3.558 108 H SER 15 HN SER 15 -16.138 -0.366 -0.366 109 HA SER 15 HA SER 15 -13.342 -0.112 -0.112 110 1HB SER 15 HB2 SER 15 -13.410 -2.355 -2.355 111 2HB SER 15 HB1 SER 15 -15.163 -2.216 -2.216 112 HG SER 15 HG SER 15 -13.853 -3.354 -3.354 113 H GLY 16 HN GLY 16 -15.936 -0.535 -0.535 114 1HA GLY 16 HA2 GLY 16 -14.188 -0.437 -0.437 115 2HA GLY 16 HA1 GLY 16 -15.935 -0.266 -0.266 116 H ALA 17 HN ALA 17 -15.920 2.003 2.003 117 HA ALA 17 HA ALA 17 -15.613 4.079 4.079 118 1HB ALA 17 HB1 ALA 17 -16.412 4.002 4.002 119 2HB ALA 17 HB3 ALA 17 -16.118 5.541 5.541 120 3HB ALA 17 HB2 ALA 17 -17.368 4.451 4.451 121 H ALA 18 HN ALA 18 -14.137 3.750 3.750 122 HA ALA 18 HA ALA 18 -12.192 5.703 5.703 123 1HB ALA 18 HB3 ALA 18 -12.820 3.672 3.672 124 2HB ALA 18 HB2 ALA 18 -11.076 3.707 3.707 125 3HB ALA 18 HB1 ALA 18 -11.923 5.174 5.174 126 H ALA 19 HN ALA 19 -12.162 2.322 2.322 127 HA ALA 19 HA ALA 19 -9.391 2.229 2.229 128 1HB ALA 19 HB1 ALA 19 -10.730 0.223 0.223 129 2HB ALA 19 HB3 ALA 19 -11.616 0.450 0.450 130 3HB ALA 19 HB2 ALA 19 -9.889 0.098 0.098 131 H ARG 20 HN ARG 20 -12.246 3.294 3.294 132 HA ARG 20 HA ARG 20 -11.168 3.170 3.170 133 1HB ARG 20 HB1 ARG 20 -13.162 4.109 4.109 134 2HB ARG 20 HB2 ARG 20 -13.649 3.296 3.296 135 1HG ARG 20 HG2 ARG 20 -14.513 5.211 5.211 136 2HG ARG 20 HG1 ARG 20 -12.878 5.865 5.865 137 1HD ARG 20 HD1 ARG 20 -14.194 7.340 7.340 138 2HD ARG 20 HD2 ARG 20 -13.063 6.494 6.494 139 HE ARG 20 HE ARG 20 -15.393 5.016 5.016 140 1HH1 ARG 20 HH21 ARG 20 -14.420 8.251 8.251 141 2HH1 ARG 20 HH22 ARG 20 -15.610 8.426 8.426 142 1HH2 ARG 20 HH11 ARG 20 -16.962 5.233 5.233 143 2HH2 ARG 20 HH12 ARG 20 -17.056 6.709 6.709 144 H GLY 21 HN GLY 21 -11.104 5.508 5.508 145 1HA GLY 21 HA2 GLY 21 -9.416 7.173 7.173 146 2HA GLY 21 HA1 GLY 21 -9.275 7.144 7.144 147 H ASP 22 HN ASP 22 -11.590 7.983 7.983 148 HA ASP 22 HA ASP 22 -12.170 10.473 10.473 149 1HB ASP 22 HB2 ASP 22 -14.574 9.069 9.069 150 2HB ASP 22 HB1 ASP 22 -13.855 8.409 8.409 151 H VAL 23 HN VAL 23 -10.938 11.261 11.261 152 HA VAL 23 HA VAL 23 -11.513 10.874 10.874 153 HB VAL 23 HB VAL 23 -9.558 12.092 12.092 154 1HG1 VAL 23 HG11 VAL 23 -11.248 13.406 13.406 155 2HG1 VAL 23 HG13 VAL 23 -10.424 14.614 14.614 156 3HG1 VAL 23 HG12 VAL 23 -9.488 13.405 13.405 157 1HG2 VAL 23 HG23 VAL 23 -11.159 12.863 12.863 158 2HG2 VAL 23 HG22 VAL 23 -9.631 13.675 13.675 159 3HG2 VAL 23 HG21 VAL 23 -11.144 14.368 14.368 160 H GLN 24 HN GLN 24 -13.373 12.501 12.501 161 HA GLN 24 HA GLN 24 -14.824 14.218 14.218 162 1HB GLN 24 HB2 GLN 24 -14.891 13.504 13.504 163 2HB GLN 24 HB1 GLN 24 -16.483 13.805 13.805 164 1HG GLN 24 HG2 GLN 24 -14.692 15.839 15.839 165 2HG GLN 24 HG1 GLN 24 -14.570 15.679 15.679 166 1HE2 GLN 24 HE22 GLN 24 -18.246 16.222 16.222 167 2HE2 GLN 24 HE21 GLN 24 -17.197 14.885 14.885 168 H GLU 25 HN GLU 25 -15.505 11.075 11.075 169 HA GLU 25 HA GLU 25 -18.023 10.763 10.763 170 1HB GLU 25 HB1 GLU 25 -18.205 8.747 8.747 171 2HB GLU 25 HB2 GLU 25 -17.135 9.650 9.650 172 1HG GLU 25 HG1 GLU 25 -16.677 7.134 7.134 173 2HG GLU 25 HG2 GLU 25 -15.430 8.247 8.247 174 H VAL 26 HN VAL 26 -14.733 9.638 9.638 175 HA VAL 26 HA VAL 26 -15.186 7.797 7.797 176 HB VAL 26 HB VAL 26 -12.950 8.582 8.582 177 1HG1 VAL 26 HG23 VAL 26 -13.280 10.872 10.872 178 2HG1 VAL 26 HG22 VAL 26 -12.539 10.022 10.022 179 3HG1 VAL 26 HG21 VAL 26 -11.670 10.172 10.172 180 1HG2 VAL 26 HG13 VAL 26 -13.568 6.871 6.871 181 2HG2 VAL 26 HG12 VAL 26 -11.954 7.077 7.077 182 3HG2 VAL 26 HG11 VAL 26 -12.405 7.932 7.932 183 H ARG 27 HN ARG 27 -15.106 11.302 11.302 184 HA ARG 27 HA ARG 27 -15.172 11.477 11.477 185 1HB ARG 27 HB1 ARG 27 -15.473 13.366 13.366 186 2HB ARG 27 HB2 ARG 27 -16.029 13.880 13.880 187 1HG ARG 27 HG2 ARG 27 -13.826 13.529 13.529 188 2HG ARG 27 HG1 ARG 27 -13.253 12.897 12.897 189 1HD ARG 27 HD1 ARG 27 -13.835 15.104 15.104 190 2HD ARG 27 HD2 ARG 27 -14.171 15.702 15.702 191 HE ARG 27 HE ARG 27 -11.574 15.163 15.163 192 1HH1 ARG 27 HH21 ARG 27 -13.418 15.762 15.762 193 2HH1 ARG 27 HH22 ARG 27 -12.050 16.295 16.295 194 1HH2 ARG 27 HH11 ARG 27 -9.764 15.864 15.864 195 2HH2 ARG 27 HH12 ARG 27 -9.971 16.355 16.355 196 H ARG 28 HN ARG 28 -17.660 12.128 12.128 197 HA ARG 28 HA ARG 28 -19.753 12.461 12.461 198 1HB ARG 28 HB2 ARG 28 -20.531 11.512 11.512 199 2HB ARG 28 HB1 ARG 28 -21.075 12.921 12.921 200 1HG ARG 28 HG1 ARG 28 -18.691 13.833 13.833 201 2HG ARG 28 HG2 ARG 28 -18.771 12.627 12.627 202 1HD ARG 28 HD2 ARG 28 -20.498 15.029 15.029 203 2HD ARG 28 HD1 ARG 28 -19.625 14.537 14.537 204 HE ARG 28 HE ARG 28 -21.787 12.802 12.802 205 1HH1 ARG 28 HH11 ARG 28 -20.724 15.336 15.336 206 2HH1 ARG 28 HH12 ARG 28 -21.996 15.075 15.075 207 1HH2 ARG 28 HH21 ARG 28 -23.464 12.454 12.454 208 2HH2 ARG 28 HH22 ARG 28 -23.555 13.439 13.439 209 H LEU 29 HN LEU 29 -18.216 9.690 9.690 210 HA LEU 29 HA LEU 29 -20.341 7.842 7.842 211 1HB LEU 29 HB2 LEU 29 -17.429 7.752 7.752 212 2HB LEU 29 HB1 LEU 29 -18.103 6.355 6.355 213 HG LEU 29 HG LEU 29 -19.190 7.292 7.292 214 1HD1 LEU 29 HD11 LEU 29 -16.794 6.942 6.942 215 2HD1 LEU 29 HD13 LEU 29 -16.930 5.346 5.346 216 3HD1 LEU 29 HD12 LEU 29 -17.727 5.678 5.678 217 1HD2 LEU 29 HD22 LEU 29 -19.966 5.337 5.337 218 2HD2 LEU 29 HD21 LEU 29 -20.519 5.520 5.520 219 3HD2 LEU 29 HD23 LEU 29 -19.159 4.459 4.459 220 H LEU 30 HN LEU 30 -17.610 8.115 8.115 221 HA LEU 30 HA LEU 30 -18.985 6.621 6.621 222 1HB LEU 30 HB2 LEU 30 -16.549 8.349 8.349 223 2HB LEU 30 HB1 LEU 30 -17.062 6.995 6.995 224 HG LEU 30 HG LEU 30 -16.636 6.238 6.238 225 1HD1 LEU 30 HD13 LEU 30 -14.962 8.047 8.047 226 2HD1 LEU 30 HD12 LEU 30 -14.256 7.223 7.223 227 3HD1 LEU 30 HD11 LEU 30 -14.235 6.452 6.452 228 1HD2 LEU 30 HD23 LEU 30 -16.600 5.074 5.074 229 2HD2 LEU 30 HD22 LEU 30 -16.196 4.301 4.301 230 3HD2 LEU 30 HD21 LEU 30 -14.924 5.021 5.021 231 H HIS 31 HN HIS 31 -18.384 10.062 10.062 232 HA HIS 31 HA HIS 31 -19.405 10.886 10.886 233 1HB HIS 31 HB1 HIS 31 -18.045 12.107 12.107 234 2HB HIS 31 HB2 HIS 31 -19.603 12.925 12.925 235 HD2 HIS 31 HD2 HIS 31 -16.324 13.619 13.619 236 HE1 HIS 31 HE1 HIS 31 -18.877 14.635 14.635 237 HE2 HIS 31 HE2 HIS 31 -16.598 15.010 15.010 238 H ARG 32 HN ARG 32 -20.839 10.403 10.403 239 HA ARG 32 HA ARG 32 -23.436 11.218 11.218 240 1HB ARG 32 HB2 ARG 32 -23.001 10.962 10.962 241 2HB ARG 32 HB1 ARG 32 -24.118 11.999 11.999 242 1HG ARG 32 HG2 ARG 32 -21.447 12.722 12.722 243 2HG ARG 32 HG1 ARG 32 -21.600 12.655 12.655 244 1HD ARG 32 HD1 ARG 32 -23.854 13.953 13.953 245 2HD ARG 32 HD2 ARG 32 -22.315 14.774 14.774 246 HE ARG 32 HE ARG 32 -22.580 14.161 14.161 247 1HH1 ARG 32 HH21 ARG 32 -23.973 16.238 16.238 248 2HH1 ARG 32 HH22 ARG 32 -24.424 17.472 17.472 249 1HH2 ARG 32 HH11 ARG 32 -23.174 15.773 15.773 250 2HH2 ARG 32 HH12 ARG 32 -23.970 17.205 17.205 251 H GLU 33 HN GLU 33 -22.049 8.969 8.969 252 HA GLU 33 HA GLU 33 -24.320 7.265 7.265 253 1HB GLU 33 HB2 GLU 33 -22.164 7.549 7.549 254 2HB GLU 33 HB1 GLU 33 -21.708 6.098 6.098 255 1HG GLU 33 HG1 GLU 33 -24.323 5.610 5.610 256 2HG GLU 33 HG2 GLU 33 -23.696 6.476 6.476 257 H LEU 34 HN LEU 34 -22.027 7.776 7.776 258 HA LEU 34 HA LEU 34 -21.219 6.570 6.570 259 1HB LEU 34 HB2 LEU 34 -23.884 5.188 5.188 260 2HB LEU 34 HB1 LEU 34 -22.909 5.675 5.675 261 HG LEU 34 HG LEU 34 -23.900 7.855 7.855 262 1HD1 LEU 34 HD13 LEU 34 -25.834 6.334 6.334 263 2HD1 LEU 34 HD12 LEU 34 -25.730 6.387 6.387 264 3HD1 LEU 34 HD11 LEU 34 -26.105 7.853 7.853 265 1HD2 LEU 34 HD21 LEU 34 -22.599 7.755 7.755 266 2HD2 LEU 34 HD23 LEU 34 -23.601 9.108 9.108 267 3HD2 LEU 34 HD22 LEU 34 -24.271 7.881 7.881 268 H VAL 35 HN VAL 35 -20.834 5.359 5.359 269 HA VAL 35 HA VAL 35 -21.269 2.630 2.630 270 HB VAL 35 HB VAL 35 -20.280 4.062 4.062 271 1HG1 VAL 35 HG13 VAL 35 -18.464 4.905 4.905 272 2HG1 VAL 35 HG12 VAL 35 -17.599 3.447 3.447 273 3HG1 VAL 35 HG11 VAL 35 -18.046 4.652 4.652 274 1HG2 VAL 35 HG21 VAL 35 -20.358 1.512 1.512 275 2HG2 VAL 35 HG23 VAL 35 -19.230 2.254 2.254 276 3HG2 VAL 35 HG22 VAL 35 -18.641 1.591 1.591 277 H HIS 36 HN HIS 36 -20.093 0.814 0.814 278 HA HIS 36 HA HIS 36 -18.586 1.138 1.138 279 1HB HIS 36 HB2 HIS 36 -20.243 -0.867 -0.867 280 2HB HIS 36 HB1 HIS 36 -18.637 -1.576 -1.576 281 HD2 HIS 36 HD2 HIS 36 -21.592 -0.484 -0.484 282 HE1 HIS 36 HE1 HIS 36 -18.496 -1.892 -1.892 283 HE2 HIS 36 HE2 HIS 36 -20.963 -1.328 -1.328 284 HA PRO 37 HA PRO 37 -14.623 0.959 0.959 285 1HB PRO 37 HB1 PRO 37 -13.116 0.502 0.502 286 2HB PRO 37 HB2 PRO 37 -13.865 2.069 2.069 287 1HG PRO 37 HG1 PRO 37 -14.775 -0.128 -0.128 288 2HG PRO 37 HG2 PRO 37 -14.748 1.622 1.622 289 1HD PRO 37 HD2 PRO 37 -16.999 0.271 0.271 290 2HD PRO 37 HD1 PRO 37 -16.710 1.966 1.966 291 H ASP 38 HN ASP 38 -16.132 -1.660 -1.660 292 HA ASP 38 HA ASP 38 -14.009 -3.508 -3.508 293 1HB ASP 38 HB1 ASP 38 -16.265 -4.382 -4.382 294 2HB ASP 38 HB2 ASP 38 -14.604 -4.961 -4.961 295 H ALA 39 HN ALA 39 -16.625 -2.225 -2.225 296 HA ALA 39 HA ALA 39 -18.330 -4.308 -4.308 297 1HB ALA 39 HB1 ALA 39 -18.605 -1.793 -1.793 298 2HB ALA 39 HB3 ALA 39 -17.665 -2.037 -2.037 299 3HB ALA 39 HB2 ALA 39 -19.201 -2.875 -2.875 300 H LEU 40 HN LEU 40 -16.810 -6.077 -6.077 301 HA LEU 40 HA LEU 40 -14.912 -6.129 -6.129 302 1HB LEU 40 HB2 LEU 40 -16.391 -8.506 -8.506 303 2HB LEU 40 HB1 LEU 40 -14.816 -8.501 -8.501 304 HG LEU 40 HG LEU 40 -14.487 -6.766 -6.766 305 1HD1 LEU 40 HD12 LEU 40 -16.783 -7.797 -7.797 306 2HD1 LEU 40 HD11 LEU 40 -15.793 -9.177 -9.177 307 3HD1 LEU 40 HD13 LEU 40 -15.499 -7.594 -7.594 308 1HD2 LEU 40 HD21 LEU 40 -13.185 -8.854 -8.854 309 2HD2 LEU 40 HD23 LEU 40 -12.832 -8.202 -8.202 310 3HD2 LEU 40 HD22 LEU 40 -13.857 -9.627 -9.627 311 H ASN 41 HN ASN 41 -14.998 -7.048 -7.048 312 HA ASN 41 HA ASN 41 -17.473 -6.666 -6.666 313 1HB ASN 41 HB1 ASN 41 -15.090 -8.045 -8.045 314 2HB ASN 41 HB2 ASN 41 -16.263 -6.984 -6.984 315 1HD2 ASN 41 HD22 ASN 41 -12.939 -5.313 -5.313 316 2HD2 ASN 41 HD21 ASN 41 -13.333 -6.874 -6.874 317 H ARG 42 HN ARG 42 -17.134 -8.815 -8.815 318 HA ARG 42 HA ARG 42 -18.712 -10.803 -10.803 319 1HB ARG 42 HB2 ARG 42 -18.355 -9.944 -9.944 320 2HB ARG 42 HB1 ARG 42 -17.864 -11.632 -11.632 321 1HG ARG 42 HG2 ARG 42 -20.421 -10.870 -10.870 322 2HG ARG 42 HG1 ARG 42 -20.356 -10.942 -10.942 323 1HD ARG 42 HD2 ARG 42 -19.879 -13.214 -13.214 324 2HD ARG 42 HD1 ARG 42 -19.304 -13.206 -13.206 325 HE ARG 42 HE ARG 42 -22.085 -12.553 -12.553 326 1HH1 ARG 42 HH21 ARG 42 -19.781 -15.158 -15.158 327 2HH1 ARG 42 HH22 ARG 42 -20.924 -16.302 -16.302 328 1HH2 ARG 42 HH11 ARG 42 -23.600 -14.053 -14.053 329 2HH2 ARG 42 HH12 ARG 42 -23.095 -15.674 -15.674 330 H PHE 43 HN PHE 43 -15.387 -10.407 -10.407 331 HA PHE 43 HA PHE 43 -14.736 -13.214 -13.214 332 1HB PHE 43 HB1 PHE 43 -13.435 -10.840 -10.840 333 2HB PHE 43 HB2 PHE 43 -12.413 -11.597 -11.597 334 HD1 PHE 43 HD2 PHE 43 -14.146 -12.168 -12.168 335 HD2 PHE 43 HD1 PHE 43 -11.187 -13.549 -13.549 336 HE1 PHE 43 HE2 PHE 43 -13.345 -13.783 -13.783 337 HE2 PHE 43 HE1 PHE 43 -10.381 -15.166 -15.166 338 HZ PHE 43 HZ PHE 43 -11.455 -15.276 -15.276 339 H GLY 44 HN GLY 44 -14.625 -10.399 -10.399 340 1HA GLY 44 HA1 GLY 44 -14.920 -10.763 -10.763 341 2HA GLY 44 HA2 GLY 44 -13.929 -12.205 -12.205 342 H LYS 45 HN LYS 45 -13.112 -9.208 -9.208 343 HA LYS 45 HA LYS 45 -10.666 -9.084 -9.084 344 1HB LYS 45 HB2 LYS 45 -11.480 -7.719 -7.719 345 2HB LYS 45 HB1 LYS 45 -9.957 -7.417 -7.417 346 1HG LYS 45 HG2 LYS 45 -9.235 -9.662 -9.662 347 2HG LYS 45 HG1 LYS 45 -10.824 -10.133 -10.133 348 1HD LYS 45 HD2 LYS 45 -9.364 -9.857 -9.857 349 2HD LYS 45 HD1 LYS 45 -10.515 -8.519 -8.519 350 1HE LYS 45 HE1 LYS 45 -8.739 -7.198 -7.198 351 2HE LYS 45 HE2 LYS 45 -7.621 -8.489 -8.489 352 1HZ LYS 45 HZ2 LYS 45 -9.228 -7.271 -7.271 353 2HZ LYS 45 HZ1 LYS 45 -7.923 -6.387 -6.387 354 3HZ LYS 45 HZ3 LYS 45 -7.666 -7.915 -7.915 355 H THR 46 HN THR 46 -9.872 -6.973 -6.973 356 HA THR 46 HA THR 46 -12.002 -5.490 -5.490 357 HB THR 46 HB THR 46 -9.559 -4.247 -4.247 358 HG1 THR 46 HG1 THR 46 -8.079 -5.708 -5.708 359 1HG2 THR 46 HG22 THR 46 -11.511 -5.873 -5.873 360 2HG2 THR 46 HG21 THR 46 -9.873 -6.105 -6.105 361 3HG2 THR 46 HG23 THR 46 -10.576 -4.488 -4.488 362 H ALA 47 HN ALA 47 -12.309 -3.236 -3.236 363 HA ALA 47 HA ALA 47 -12.138 -2.207 -2.207 364 1HB ALA 47 HB1 ALA 47 -13.847 -1.615 -1.615 365 2HB ALA 47 HB3 ALA 47 -12.619 -0.567 -0.567 366 3HB ALA 47 HB2 ALA 47 -13.195 -0.266 -0.266 367 H LEU 48 HN LEU 48 -10.102 -1.872 -1.872 368 HA LEU 48 HA LEU 48 -8.593 0.343 0.343 369 1HB LEU 48 HB2 LEU 48 -8.852 -0.581 -0.581 370 2HB LEU 48 HB1 LEU 48 -7.529 -1.641 -1.641 371 HG LEU 48 HG LEU 48 -6.122 0.320 0.320 372 1HD1 LEU 48 HD23 LEU 48 -8.504 1.684 1.684 373 2HD1 LEU 48 HD22 LEU 48 -7.835 2.251 2.251 374 3HD1 LEU 48 HD21 LEU 48 -6.896 2.406 2.406 375 1HD2 LEU 48 HD11 LEU 48 -6.915 -0.639 -0.639 376 2HD2 LEU 48 HD13 LEU 48 -5.455 0.276 0.276 377 3HD2 LEU 48 HD12 LEU 48 -6.908 1.118 1.118 378 H GLN 49 HN GLN 49 -8.013 -3.161 -3.161 379 HA GLN 49 HA GLN 49 -5.477 -3.101 -3.101 380 1HB GLN 49 HB1 GLN 49 -5.566 -5.393 -5.393 381 2HB GLN 49 HB2 GLN 49 -6.804 -5.024 -5.024 382 1HG GLN 49 HG2 GLN 49 -7.989 -6.503 -6.503 383 2HG GLN 49 HG1 GLN 49 -8.327 -5.083 -5.083 384 1HE2 GLN 49 HE22 GLN 49 -5.816 -8.004 -8.004 385 2HE2 GLN 49 HE21 GLN 49 -6.154 -7.840 -7.840 386 H VAL 50 HN VAL 50 -8.600 -2.615 -2.615 387 HA VAL 50 HA VAL 50 -7.693 -3.136 -3.136 388 HB VAL 50 HB VAL 50 -10.057 -2.974 -2.974 389 1HG1 VAL 50 HG11 VAL 50 -8.892 -5.102 -5.102 390 2HG1 VAL 50 HG13 VAL 50 -10.005 -4.872 -4.872 391 3HG1 VAL 50 HG12 VAL 50 -10.633 -5.103 -5.103 392 1HG2 VAL 50 HG21 VAL 50 -10.519 -2.552 -2.552 393 2HG2 VAL 50 HG23 VAL 50 -10.866 -1.417 -1.417 394 3HG2 VAL 50 HG22 VAL 50 -11.788 -2.915 -2.915 395 H MET 51 HN MET 51 -8.921 -0.646 -0.646 396 HA MET 51 HA MET 51 -9.635 1.408 1.408 397 1HB MET 51 HB1 MET 51 -8.849 2.934 2.934 398 2HB MET 51 HB2 MET 51 -9.375 1.476 1.476 399 1HG MET 51 HG1 MET 51 -7.424 1.510 1.510 400 2HG MET 51 HG2 MET 51 -6.700 1.014 1.014 401 1HE MET 51 HE3 MET 51 -4.753 1.709 1.709 402 2HE MET 51 HE2 MET 51 -4.852 3.063 3.063 403 3HE MET 51 HE1 MET 51 -3.988 3.247 3.247 404 H MET 52 HN MET 52 -8.451 3.325 3.325 405 HA MET 52 HA MET 52 -5.985 2.487 2.487 406 1HB MET 52 HB1 MET 52 -8.285 3.656 3.656 407 2HB MET 52 HB2 MET 52 -7.167 5.008 5.008 408 1HG MET 52 HG1 MET 52 -6.037 2.579 2.579 409 2HG MET 52 HG2 MET 52 -7.349 3.315 3.315 410 1HE MET 52 HE1 MET 52 -7.480 5.770 5.770 411 2HE MET 52 HE3 MET 52 -6.716 6.604 6.604 412 3HE MET 52 HE2 MET 52 -6.095 6.823 6.823 413 H PHE 53 HN PHE 53 -4.106 3.614 3.614 414 HA PHE 53 HA PHE 53 -3.904 5.450 5.450 415 1HB PHE 53 HB2 PHE 53 -1.760 4.414 4.414 416 2HB PHE 53 HB1 PHE 53 -1.481 5.317 5.317 417 HD1 PHE 53 HD2 PHE 53 -3.070 2.188 2.188 418 HD2 PHE 53 HD1 PHE 53 -1.133 4.182 4.182 419 HE1 PHE 53 HE2 PHE 53 -3.023 0.076 0.076 420 HE2 PHE 53 HE1 PHE 53 -1.082 2.071 2.071 421 HZ PHE 53 HZ PHE 53 -2.029 0.016 0.016 422 H GLY 54 HN GLY 54 -5.036 5.971 5.971 423 1HA GLY 54 HA1 GLY 54 -3.453 7.980 7.980 424 2HA GLY 54 HA2 GLY 54 -5.184 7.781 7.781 425 H SER 55 HN SER 55 -6.319 8.316 8.316 426 HA SER 55 HA SER 55 -5.581 11.111 11.111 427 1HB SER 55 HB1 SER 55 -8.121 9.806 9.806 428 2HB SER 55 HB2 SER 55 -7.802 11.517 11.517 429 HG SER 55 HG SER 55 -7.660 9.633 9.633 430 HA PRO 56 HA PRO 56 -3.979 10.043 10.043 431 1HB PRO 56 HB2 PRO 56 -4.233 12.870 12.870 432 2HB PRO 56 HB1 PRO 56 -2.773 11.905 11.905 433 1HG PRO 56 HG2 PRO 56 -3.505 13.844 13.844 434 2HG PRO 56 HG1 PRO 56 -2.651 12.378 12.378 435 1HD PRO 56 HD2 PRO 56 -5.573 13.029 13.029 436 2HD PRO 56 HD1 PRO 56 -4.514 12.271 12.271 437 H ALA 57 HN ALA 57 -6.641 12.404 12.404 438 HA ALA 57 HA ALA 57 -7.503 12.070 12.070 439 1HB ALA 57 HB1 ALA 57 -8.579 13.308 13.308 440 2HB ALA 57 HB3 ALA 57 -9.777 12.826 12.826 441 3HB ALA 57 HB2 ALA 57 -8.480 13.937 13.937 442 H VAL 58 HN VAL 58 -8.039 10.193 10.193 443 HA VAL 58 HA VAL 58 -10.356 8.814 8.814 444 HB VAL 58 HB VAL 58 -8.116 8.238 8.238 445 1HG1 VAL 58 HG11 VAL 58 -10.244 6.332 6.332 446 2HG1 VAL 58 HG13 VAL 58 -9.544 6.243 6.243 447 3HG1 VAL 58 HG12 VAL 58 -8.515 6.057 6.057 448 1HG2 VAL 58 HG23 VAL 58 -10.137 9.817 9.817 449 2HG2 VAL 58 HG22 VAL 58 -9.657 8.701 8.701 450 3HG2 VAL 58 HG21 VAL 58 -11.038 8.320 8.320 451 H ALA 59 HN ALA 59 -6.908 8.105 8.105 452 HA ALA 59 HA ALA 59 -7.217 5.633 5.633 453 1HB ALA 59 HB2 ALA 59 -5.000 7.630 7.630 454 2HB ALA 59 HB1 ALA 59 -4.862 6.254 6.254 455 3HB ALA 59 HB3 ALA 59 -5.086 5.985 5.985 456 H LEU 60 HN LEU 60 -6.468 8.841 8.841 457 HA LEU 60 HA LEU 60 -6.672 8.075 8.075 458 1HB LEU 60 HB2 LEU 60 -5.510 10.074 10.074 459 2HB LEU 60 HB1 LEU 60 -6.910 10.742 10.742 460 HG LEU 60 HG LEU 60 -6.917 10.175 10.175 461 1HD1 LEU 60 HD11 LEU 60 -5.483 12.247 12.247 462 2HD1 LEU 60 HD13 LEU 60 -6.643 12.903 12.903 463 3HD1 LEU 60 HD12 LEU 60 -5.395 11.781 11.781 464 1HD2 LEU 60 HD22 LEU 60 -8.687 11.542 11.542 465 2HD2 LEU 60 HD21 LEU 60 -9.091 10.567 10.567 466 3HD2 LEU 60 HD23 LEU 60 -8.556 12.236 12.236 467 H GLU 61 HN GLU 61 -9.044 9.547 9.547 468 HA GLU 61 HA GLU 61 -11.087 9.892 9.892 469 1HB GLU 61 HB1 GLU 61 -11.067 10.966 10.966 470 2HB GLU 61 HB2 GLU 61 -11.348 9.401 9.401 471 1HG GLU 61 HG1 GLU 61 -13.350 9.785 9.785 472 2HG GLU 61 HG2 GLU 61 -13.240 11.259 11.259 473 H LEU 62 HN LEU 62 -10.769 7.324 7.324 474 HA LEU 62 HA LEU 62 -12.887 5.763 5.763 475 1HB LEU 62 HB2 LEU 62 -12.494 4.502 4.502 476 2HB LEU 62 HB1 LEU 62 -11.282 5.694 5.694 477 HG LEU 62 HG LEU 62 -9.607 4.264 4.264 478 1HD1 LEU 62 HD21 LEU 62 -11.945 2.877 2.877 479 2HD1 LEU 62 HD23 LEU 62 -11.032 1.808 1.808 480 3HD1 LEU 62 HD22 LEU 62 -10.276 2.464 2.464 481 1HD2 LEU 62 HD13 LEU 62 -10.539 4.151 4.151 482 2HD2 LEU 62 HD12 LEU 62 -9.025 3.480 3.480 483 3HD2 LEU 62 HD11 LEU 62 -10.465 2.464 2.464 484 H LEU 63 HN LEU 63 -9.380 5.544 5.544 485 HA LEU 63 HA LEU 63 -9.420 3.263 3.263 486 1HB LEU 63 HB2 LEU 63 -7.397 4.176 4.176 487 2HB LEU 63 HB1 LEU 63 -7.436 5.538 5.538 488 HG LEU 63 HG LEU 63 -7.321 2.784 2.784 489 1HD1 LEU 63 HD13 LEU 63 -5.156 4.143 4.143 490 2HD1 LEU 63 HD12 LEU 63 -4.736 3.241 3.241 491 3HD1 LEU 63 HD11 LEU 63 -5.550 2.428 2.428 492 1HD2 LEU 63 HD21 LEU 63 -7.231 5.402 5.402 493 2HD2 LEU 63 HD23 LEU 63 -6.951 3.905 3.905 494 3HD2 LEU 63 HD22 LEU 63 -5.593 4.766 4.766 495 H LYS 64 HN LYS 64 -9.941 6.655 6.655 496 HA LYS 64 HA LYS 64 -9.625 6.584 6.584 497 1HB LYS 64 HB2 LYS 64 -10.812 8.407 8.407 498 2HB LYS 64 HB1 LYS 64 -11.505 8.520 8.520 499 1HG LYS 64 HG1 LYS 64 -8.837 8.505 8.505 500 2HG LYS 64 HG2 LYS 64 -8.893 9.375 9.375 501 1HD LYS 64 HD2 LYS 64 -10.614 10.873 10.873 502 2HD LYS 64 HD1 LYS 64 -10.437 10.043 10.043 503 1HE LYS 64 HE1 LYS 64 -7.961 10.637 10.637 504 2HE LYS 64 HE2 LYS 64 -8.432 11.744 11.744 505 1HZ LYS 64 HZ2 LYS 64 -9.844 11.869 11.869 506 2HZ LYS 64 HZ1 LYS 64 -8.302 12.554 12.554 507 3HZ LYS 64 HZ3 LYS 64 -9.549 13.098 13.098 508 H GLN 65 HN GLN 65 -12.472 6.103 6.103 509 HA GLN 65 HA GLN 65 -14.498 5.959 5.959 510 1HB GLN 65 HB2 GLN 65 -14.345 5.401 5.401 511 2HB GLN 65 HB1 GLN 65 -14.370 3.751 3.751 512 1HG GLN 65 HG1 GLN 65 -16.487 5.821 5.821 513 2HG GLN 65 HG2 GLN 65 -16.596 4.091 4.091 514 1HE2 GLN 65 HE22 GLN 65 -17.188 5.571 5.571 515 2HE2 GLN 65 HE21 GLN 65 -16.741 6.571 6.571 516 H GLY 66 HN GLY 66 -11.836 3.762 3.762 517 1HA GLY 66 HA1 GLY 66 -11.521 2.600 2.600 518 2HA GLY 66 HA2 GLY 66 -13.104 1.917 1.917 519 H ALA 67 HN ALA 67 -11.993 2.047 2.047 520 HA ALA 67 HA ALA 67 -11.680 -0.555 -0.555 521 1HB ALA 67 HB1 ALA 67 -11.113 1.819 1.819 522 2HB ALA 67 HB3 ALA 67 -9.628 0.873 0.873 523 3HB ALA 67 HB2 ALA 67 -11.148 0.195 0.195 524 H SER 68 HN SER 68 -10.015 -2.085 -2.085 525 HA SER 68 HA SER 68 -7.815 -1.600 -1.600 526 1HB SER 68 HB2 SER 68 -9.100 -4.160 -4.160 527 2HB SER 68 HB1 SER 68 -7.634 -4.122 -4.122 528 HG SER 68 HG SER 68 -8.907 -2.887 -2.887 529 HA PRO 69 HA PRO 69 -5.236 -1.561 -1.561 530 1HB PRO 69 HB2 PRO 69 -2.969 -0.786 -0.786 531 2HB PRO 69 HB1 PRO 69 -4.299 0.337 0.337 532 1HG PRO 69 HG2 PRO 69 -3.578 -1.095 -1.095 533 2HG PRO 69 HG1 PRO 69 -4.088 0.588 0.588 534 1HD PRO 69 HD2 PRO 69 -5.766 -1.400 -1.400 535 2HD PRO 69 HD1 PRO 69 -6.313 0.032 0.032 536 H ASN 70 HN ASN 70 -4.532 -3.231 -3.231 537 HA ASN 70 HA ASN 70 -2.398 -4.811 -4.811 538 1HB ASN 70 HB2 ASN 70 -3.738 -4.467 -4.467 539 2HB ASN 70 HB1 ASN 70 -3.467 -6.172 -6.172 540 1HD2 ASN 70 HD22 ASN 70 -0.529 -4.172 -4.172 541 2HD2 ASN 70 HD21 ASN 70 -2.223 -3.883 -3.883 542 H VAL 71 HN VAL 71 -3.741 -5.346 -5.346 543 HA VAL 71 HA VAL 71 -5.324 -7.784 -7.784 544 HB VAL 71 HB VAL 71 -6.597 -7.356 -7.356 545 1HG1 VAL 71 HG12 VAL 71 -7.009 -6.024 -6.024 546 2HG1 VAL 71 HG11 VAL 71 -6.466 -4.639 -4.639 547 3HG1 VAL 71 HG13 VAL 71 -7.875 -5.565 -5.565 548 1HG2 VAL 71 HG22 VAL 71 -4.338 -5.764 -5.764 549 2HG2 VAL 71 HG21 VAL 71 -5.688 -6.302 -6.302 550 3HG2 VAL 71 HG23 VAL 71 -5.801 -4.784 -4.784 551 H GLN 72 HN GLN 72 -5.136 -9.492 -9.492 552 HA GLN 72 HA GLN 72 -2.894 -9.381 -9.381 553 1HB GLN 72 HB1 GLN 72 -2.996 -11.132 -11.132 554 2HB GLN 72 HB2 GLN 72 -2.162 -11.684 -11.684 555 1HG GLN 72 HG1 GLN 72 -0.374 -10.628 -10.628 556 2HG GLN 72 HG2 GLN 72 -1.203 -9.121 -9.121 557 1HE2 GLN 72 HE22 GLN 72 -0.321 -8.520 -8.520 558 2HE2 GLN 72 HE21 GLN 72 0.289 -8.434 -8.434 559 H ASP 73 HN ASP 73 -3.024 -10.868 -10.868 560 HA ASP 73 HA ASP 73 -5.484 -12.491 -12.491 561 1HB ASP 73 HB2 ASP 73 -5.371 -12.125 -12.125 562 2HB ASP 73 HB1 ASP 73 -5.836 -10.734 -10.734 563 H ALA 74 HN ALA 74 -4.728 -14.492 -14.492 564 HA ALA 74 HA ALA 74 -3.520 -16.424 -16.424 565 1HB ALA 74 HB1 ALA 74 -4.271 -15.589 -15.589 566 2HB ALA 74 HB3 ALA 74 -2.847 -16.630 -16.630 567 3HB ALA 74 HB2 ALA 74 -4.347 -17.183 -17.183 568 H SER 75 HN SER 75 -1.815 -15.071 -15.071 569 HA SER 75 HA SER 75 0.698 -15.821 -15.821 570 1HB SER 75 HB2 SER 75 -0.356 -13.403 -13.403 571 2HB SER 75 HB1 SER 75 1.380 -13.530 -13.530 572 HG SER 75 HG SER 75 -0.223 -14.923 -14.923 573 H GLY 76 HN GLY 76 -0.598 -12.622 -12.622 574 1HA GLY 76 HA2 GLY 76 -0.230 -12.117 -12.117 575 2HA GLY 76 HA1 GLY 76 1.444 -12.543 -12.543 576 H THR 77 HN THR 77 -0.858 -10.594 -10.594 577 HA THR 77 HA THR 77 1.157 -8.508 -8.508 578 HB THR 77 HB THR 77 -1.518 -8.100 -8.100 579 HG1 THR 77 HG1 THR 77 -1.475 -10.209 -10.209 580 1HG2 THR 77 HG21 THR 77 1.128 -7.248 -7.248 581 2HG2 THR 77 HG23 THR 77 0.586 -8.167 -8.167 582 3HG2 THR 77 HG22 THR 77 -0.352 -6.785 -6.785 583 H SER 78 HN SER 78 -0.167 -6.210 -6.210 584 HA SER 78 HA SER 78 -2.160 -5.649 -5.649 585 1HB SER 78 HB1 SER 78 -1.104 -5.787 -5.787 586 2HB SER 78 HB2 SER 78 0.443 -6.085 -6.085 587 HG SER 78 HG SER 78 -0.080 -4.008 -4.008 588 HA PRO 79 HA PRO 79 -2.211 -1.552 -1.552 589 1HB PRO 79 HB2 PRO 79 -1.413 -0.026 -0.026 590 2HB PRO 79 HB1 PRO 79 -3.063 -0.371 -0.371 591 1HG PRO 79 HG2 PRO 79 -1.419 -1.701 -1.701 592 2HG PRO 79 HG1 PRO 79 -3.175 -1.474 -1.474 593 1HD PRO 79 HD2 PRO 79 -2.062 -3.861 -3.861 594 2HD PRO 79 HD1 PRO 79 -3.476 -3.313 -3.313 595 H VAL 80 HN VAL 80 0.470 -1.678 -1.678 596 HA VAL 80 HA VAL 80 2.170 0.103 0.103 597 HB VAL 80 HB VAL 80 2.294 -1.297 -1.297 598 1HG1 VAL 80 HG12 VAL 80 4.155 -2.786 -2.786 599 2HG1 VAL 80 HG11 VAL 80 4.198 -2.883 -2.883 600 3HG1 VAL 80 HG13 VAL 80 2.776 -3.444 -3.444 601 1HG2 VAL 80 HG23 VAL 80 4.345 0.132 0.132 602 2HG2 VAL 80 HG22 VAL 80 3.611 0.535 0.535 603 3HG2 VAL 80 HG21 VAL 80 4.867 -0.702 -0.702 604 H HIS 81 HN HIS 81 1.791 -3.351 -3.351 605 HA HIS 81 HA HIS 81 3.995 -3.784 -3.784 606 1HB HIS 81 HB2 HIS 81 1.223 -4.954 -4.954 607 2HB HIS 81 HB1 HIS 81 2.469 -5.481 -5.481 608 HD2 HIS 81 HD2 HIS 81 4.826 -6.545 -6.545 609 HE1 HIS 81 HE1 HIS 81 2.504 -7.688 -7.688 610 HE2 HIS 81 HE2 HIS 81 4.657 -8.095 -8.095 611 H ASP 82 HN ASP 82 0.726 -3.120 -3.120 612 HA ASP 82 HA ASP 82 1.663 -2.533 -2.533 613 1HB ASP 82 HB1 ASP 82 -0.820 -2.947 -2.947 614 2HB ASP 82 HB2 ASP 82 -0.886 -1.286 -1.286 615 H ALA 83 HN ALA 83 0.958 -0.523 -0.523 616 HA ALA 83 HA ALA 83 0.893 1.987 1.987 617 1HB ALA 83 HB3 ALA 83 0.633 1.199 1.199 618 2HB ALA 83 HB2 ALA 83 2.336 1.645 1.645 619 3HB ALA 83 HB1 ALA 83 1.135 2.847 2.847 620 H ALA 84 HN ALA 84 3.606 -0.124 -0.124 621 HA ALA 84 HA ALA 84 5.631 1.870 1.870 622 1HB ALA 84 HB3 ALA 84 5.748 -1.127 -1.127 623 2HB ALA 84 HB2 ALA 84 7.154 -0.063 -0.063 624 3HB ALA 84 HB1 ALA 84 6.137 -0.181 -0.181 625 H ARG 85 HN ARG 85 4.714 -0.788 -0.788 626 HA ARG 85 HA ARG 85 6.109 0.360 0.360 627 1HB ARG 85 HB2 ARG 85 3.984 -1.650 -1.650 628 2HB ARG 85 HB1 ARG 85 5.625 -1.569 -1.569 629 1HG ARG 85 HG2 ARG 85 6.286 -2.109 -2.109 630 2HG ARG 85 HG1 ARG 85 4.628 -2.709 -2.709 631 1HD ARG 85 HD1 ARG 85 6.120 -3.582 -3.582 632 2HD ARG 85 HD2 ARG 85 6.757 -4.172 -4.172 633 HE ARG 85 HE ARG 85 4.162 -4.738 -4.738 634 1HH1 ARG 85 HH21 ARG 85 6.378 -5.268 -5.268 635 2HH1 ARG 85 HH22 ARG 85 5.570 -6.691 -6.691 636 1HH2 ARG 85 HH11 ARG 85 3.087 -6.612 -6.612 637 2HH2 ARG 85 HH12 ARG 85 3.699 -7.454 -7.454 638 H THR 86 HN THR 86 2.861 0.646 0.646 639 HA THR 86 HA THR 86 1.486 1.365 1.365 640 HB THR 86 HB THR 86 0.063 2.771 2.771 641 HG1 THR 86 HG1 THR 86 1.716 1.495 1.495 642 1HG2 THR 86 HG23 THR 86 0.421 -0.117 -0.117 643 2HG2 THR 86 HG22 THR 86 -0.297 0.482 0.482 644 3HG2 THR 86 HG21 THR 86 -1.051 0.852 0.852 645 H GLY 87 HN GLY 87 3.885 3.115 3.115 646 1HA GLY 87 HA2 GLY 87 4.928 5.111 5.111 647 2HA GLY 87 HA1 GLY 87 4.088 5.102 5.102 648 H PHE 88 HN PHE 88 3.372 5.583 5.583 649 HA PHE 88 HA PHE 88 2.148 8.134 8.134 650 1HB PHE 88 HB2 PHE 88 0.550 5.710 5.710 651 2HB PHE 88 HB1 PHE 88 0.077 7.229 7.229 652 HD1 PHE 88 HD1 PHE 88 -0.205 9.258 9.258 653 HD2 PHE 88 HD2 PHE 88 -0.258 5.178 5.178 654 HE1 PHE 88 HE1 PHE 88 -1.420 9.900 9.900 655 HE2 PHE 88 HE2 PHE 88 -1.472 5.812 5.812 656 HZ PHE 88 HZ PHE 88 -2.054 8.175 8.175 657 H LEU 89 HN LEU 89 4.292 8.101 8.101 658 HA LEU 89 HA LEU 89 4.378 7.377 7.377 659 1HB LEU 89 HB2 LEU 89 6.183 8.442 8.442 660 2HB LEU 89 HB1 LEU 89 5.541 9.976 9.976 661 HG LEU 89 HG LEU 89 7.586 8.933 8.933 662 1HD1 LEU 89 HD11 LEU 89 5.485 10.631 10.631 663 2HD1 LEU 89 HD13 LEU 89 5.869 9.594 9.594 664 3HD1 LEU 89 HD12 LEU 89 7.133 10.567 10.567 665 1HD2 LEU 89 HD21 LEU 89 6.179 6.744 6.744 666 2HD2 LEU 89 HD23 LEU 89 7.252 7.262 7.262 667 3HD2 LEU 89 HD22 LEU 89 5.519 7.564 7.564 668 H ASP 90 HN ASP 90 2.461 9.803 9.803 669 HA ASP 90 HA ASP 90 2.111 11.534 11.534 670 1HB ASP 90 HB1 ASP 90 -0.028 12.171 12.171 671 2HB ASP 90 HB2 ASP 90 0.433 10.979 10.979 672 H THR 91 HN THR 91 -0.246 9.220 9.220 673 HA THR 91 HA THR 91 -1.793 9.190 9.190 674 HB THR 91 HB THR 91 -1.903 7.238 7.238 675 HG1 THR 91 HG1 THR 91 -2.105 9.535 9.535 676 1HG2 THR 91 HG21 THR 91 -3.983 8.073 8.073 677 2HG2 THR 91 HG23 THR 91 -4.289 7.085 7.085 678 3HG2 THR 91 HG22 THR 91 -3.231 6.485 6.485 679 H LEU 92 HN LEU 92 0.690 7.125 7.125 680 HA LEU 92 HA LEU 92 0.385 4.836 4.836 681 1HB LEU 92 HB2 LEU 92 1.985 4.785 4.785 682 2HB LEU 92 HB1 LEU 92 2.823 6.195 6.195 683 HG LEU 92 HG LEU 92 2.751 3.604 3.604 684 1HD1 LEU 92 HD13 LEU 92 4.181 4.214 4.214 685 2HD1 LEU 92 HD12 LEU 92 5.251 3.761 3.761 686 3HD1 LEU 92 HD11 LEU 92 3.955 2.674 2.674 687 1HD2 LEU 92 HD21 LEU 92 4.162 6.199 6.199 688 2HD2 LEU 92 HD23 LEU 92 3.571 5.126 5.126 689 3HD2 LEU 92 HD22 LEU 92 5.071 4.747 4.747 690 H LYS 93 HN LYS 93 2.598 7.528 7.528 691 HA LYS 93 HA LYS 93 3.357 6.681 6.681 692 1HB LYS 93 HB1 LYS 93 4.067 8.919 8.919 693 2HB LYS 93 HB2 LYS 93 4.325 8.605 8.605 694 1HG LYS 93 HG2 LYS 93 2.669 10.049 10.049 695 2HG LYS 93 HG1 LYS 93 1.791 9.907 9.907 696 1HD LYS 93 HD2 LYS 93 2.717 12.040 12.040 697 2HD LYS 93 HD1 LYS 93 3.834 11.054 11.054 698 1HE LYS 93 HE1 LYS 93 5.435 11.027 11.027 699 2HE LYS 93 HE2 LYS 93 4.273 11.567 11.567 700 1HZ LYS 93 HZ3 LYS 93 4.152 13.693 13.693 701 2HZ LYS 93 HZ2 LYS 93 5.510 13.158 13.158 702 3HZ LYS 93 HZ1 LYS 93 5.609 13.415 13.415 703 H VAL 94 HN VAL 94 0.460 8.461 8.461 704 HA VAL 94 HA VAL 94 -0.454 9.217 9.217 705 HB VAL 94 HB VAL 94 -2.019 8.409 8.409 706 1HG1 VAL 94 HG22 VAL 94 -2.929 9.002 9.002 707 2HG1 VAL 94 HG21 VAL 94 -3.660 10.039 10.039 708 3HG1 VAL 94 HG23 VAL 94 -3.798 8.286 8.286 709 1HG2 VAL 94 HG12 VAL 94 -0.473 10.652 10.652 710 2HG2 VAL 94 HG11 VAL 94 -1.666 10.478 10.478 711 3HG2 VAL 94 HG13 VAL 94 -2.135 11.181 11.181 712 H LEU 95 HN LEU 95 -1.611 6.371 6.371 713 HA LEU 95 HA LEU 95 -2.774 5.184 5.184 714 1HB LEU 95 HB1 LEU 95 -3.107 3.216 3.216 715 2HB LEU 95 HB2 LEU 95 -3.694 4.702 4.702 716 HG LEU 95 HG LEU 95 -1.252 4.662 4.662 717 1HD1 LEU 95 HD12 LEU 95 -0.996 2.388 2.388 718 2HD1 LEU 95 HD11 LEU 95 -1.863 1.754 1.754 719 3HD1 LEU 95 HD13 LEU 95 -0.329 2.595 2.595 720 1HD2 LEU 95 HD23 LEU 95 -3.835 4.300 4.300 721 2HD2 LEU 95 HD22 LEU 95 -2.415 4.436 4.436 722 3HD2 LEU 95 HD21 LEU 95 -3.023 2.846 2.846 723 H VAL 96 HN VAL 96 0.280 4.841 4.841 724 HA VAL 96 HA VAL 96 1.176 2.509 2.509 725 HB VAL 96 HB VAL 96 2.635 4.711 4.711 726 1HG1 VAL 96 HG13 VAL 96 3.735 2.795 2.795 727 2HG1 VAL 96 HG12 VAL 96 4.384 2.557 2.557 728 3HG1 VAL 96 HG11 VAL 96 4.525 4.130 4.130 729 1HG2 VAL 96 HG23 VAL 96 1.790 1.908 1.908 730 2HG2 VAL 96 HG22 VAL 96 1.554 3.380 3.380 731 3HG2 VAL 96 HG21 VAL 96 3.151 2.638 2.638 732 H GLU 97 HN GLU 97 1.586 5.962 5.962 733 HA GLU 97 HA GLU 97 3.301 5.579 5.579 734 1HB GLU 97 HB2 GLU 97 3.123 7.917 7.917 735 2HB GLU 97 HB1 GLU 97 3.073 7.692 7.692 736 1HG GLU 97 HG1 GLU 97 0.660 8.081 8.081 737 2HG GLU 97 HG2 GLU 97 1.454 9.353 9.353 738 H HIS 98 HN HIS 98 -0.100 5.426 5.426 739 HA HIS 98 HA HIS 98 -0.913 5.998 5.998 740 1HB HIS 98 HB2 HIS 98 -2.452 6.190 6.190 741 2HB HIS 98 HB1 HIS 98 -2.353 4.451 4.451 742 HD2 HIS 98 HD2 HIS 98 -3.990 7.010 7.010 743 HE1 HIS 98 HE1 HIS 98 -5.554 3.155 3.155 744 HE2 HIS 98 HE2 HIS 98 -5.632 5.602 5.602 745 H GLY 99 HN GLY 99 0.308 3.177 3.177 746 1HA GLY 99 HA2 GLY 99 1.168 1.680 1.680 747 2HA GLY 99 HA1 GLY 99 -0.558 1.439 1.439 748 H ALA 100 HN ALA 100 -0.440 1.786 1.786 749 HA ALA 100 HA ALA 100 -1.099 -0.662 -0.662 750 1HB ALA 100 HB3 ALA 100 -0.498 1.587 1.587 751 2HB ALA 100 HB2 ALA 100 0.911 0.619 0.619 752 3HB ALA 100 HB1 ALA 100 -0.712 0.035 0.035 753 H ASP 101 HN ASP 101 -0.282 -2.599 -2.599 754 HA ASP 101 HA ASP 101 1.995 -3.385 -3.385 755 1HB ASP 101 HB2 ASP 101 1.435 -5.088 -5.088 756 2HB ASP 101 HB1 ASP 101 0.007 -4.694 -4.694 757 H VAL 102 HN VAL 102 3.769 -2.101 -2.101 758 HA VAL 102 HA VAL 102 4.870 -2.187 -2.187 759 HB VAL 102 HB VAL 102 6.575 -0.557 -0.557 760 1HG1 VAL 102 HG12 VAL 102 3.805 -0.128 -0.128 761 2HG1 VAL 102 HG11 VAL 102 4.511 1.214 1.214 762 3HG1 VAL 102 HG13 VAL 102 5.300 0.620 0.620 763 1HG2 VAL 102 HG23 VAL 102 5.947 -1.069 -1.069 764 2HG2 VAL 102 HG22 VAL 102 5.831 0.650 0.650 765 3HG2 VAL 102 HG21 VAL 102 4.370 -0.335 -0.335 766 H ASN 103 HN ASN 103 5.036 -3.997 -3.997 767 HA ASN 103 HA ASN 103 7.852 -4.731 -4.731 768 1HB ASN 103 HB1 ASN 103 6.195 -4.712 -4.712 769 2HB ASN 103 HB2 ASN 103 7.614 -5.746 -5.746 770 1HD2 ASN 103 HD22 ASN 103 9.253 -3.010 -3.010 771 2HD2 ASN 103 HD21 ASN 103 8.529 -4.553 -4.553 772 H ALA 104 HN ALA 104 5.233 -5.648 -5.648 773 HA ALA 104 HA ALA 104 5.451 -8.511 -8.511 774 1HB ALA 104 HB1 ALA 104 3.241 -7.534 -7.534 775 2HB ALA 104 HB3 ALA 104 3.128 -7.058 -7.058 776 3HB ALA 104 HB2 ALA 104 3.183 -8.766 -8.766 777 H LEU 105 HN LEU 105 5.454 -10.034 -10.034 778 HA LEU 105 HA LEU 105 6.047 -8.941 -8.941 779 1HB LEU 105 HB1 LEU 105 7.434 -11.434 -11.434 780 2HB LEU 105 HB2 LEU 105 8.003 -10.057 -10.057 781 HG LEU 105 HG LEU 105 7.700 -9.911 -9.911 782 1HD1 LEU 105 HD11 LEU 105 9.165 -11.847 -11.847 783 2HD1 LEU 105 HD13 LEU 105 10.252 -10.639 -10.639 784 3HD1 LEU 105 HD12 LEU 105 9.914 -10.640 -10.640 785 1HD2 LEU 105 HD23 LEU 105 7.963 -7.845 -7.845 786 2HD2 LEU 105 HD22 LEU 105 9.197 -8.079 -8.079 787 3HD2 LEU 105 HD21 LEU 105 9.562 -8.443 -8.443 788 H ASP 106 HN ASP 106 6.498 -11.482 -11.482 789 HA ASP 106 HA ASP 106 4.110 -13.044 -13.044 790 1HB ASP 106 HB1 ASP 106 3.876 -12.833 -12.833 791 2HB ASP 106 HB2 ASP 106 2.966 -11.844 -11.844 792 H SER 107 HN SER 107 5.592 -14.682 -14.682 793 HA SER 107 HA SER 107 6.877 -16.517 -16.517 794 1HB SER 107 HB1 SER 107 6.507 -16.422 -16.422 795 2HB SER 107 HB2 SER 107 6.309 -17.770 -17.770 796 HG SER 107 HG SER 107 4.346 -16.724 -16.724 797 H THR 108 HN THR 108 7.426 -14.795 -14.795 798 HA THR 108 HA THR 108 10.079 -15.278 -15.278 799 HB THR 108 HB THR 108 8.986 -14.110 -14.110 800 HG1 THR 108 HG1 THR 108 11.193 -13.161 -13.161 801 1HG2 THR 108 HG23 THR 108 8.288 -12.053 -12.053 802 2HG2 THR 108 HG22 THR 108 8.252 -11.705 -11.705 803 3HG2 THR 108 HG21 THR 108 7.215 -12.965 -12.965 804 H GLY 109 HN GLY 109 8.601 -13.179 -13.179 805 1HA GLY 109 HA2 GLY 109 9.495 -12.192 -12.192 806 2HA GLY 109 HA1 GLY 109 11.026 -12.966 -12.966 807 H SER 110 HN SER 110 9.299 -10.845 -10.845 808 HA SER 110 HA SER 110 11.589 -9.023 -9.023 809 1HB SER 110 HB2 SER 110 9.783 -8.233 -8.233 810 2HB SER 110 HB1 SER 110 11.320 -9.075 -9.075 811 HG SER 110 HG SER 110 8.797 -10.005 -10.005 812 H LEU 111 HN LEU 111 11.328 -7.557 -7.557 813 HA LEU 111 HA LEU 111 8.952 -6.559 -6.559 814 1HB LEU 111 HB1 LEU 111 11.764 -5.568 -5.568 815 2HB LEU 111 HB2 LEU 111 10.509 -4.477 -4.477 816 HG LEU 111 HG LEU 111 10.868 -7.215 -7.215 817 1HD1 LEU 111 HD13 LEU 111 12.632 -4.952 -4.952 818 2HD1 LEU 111 HD12 LEU 111 11.894 -5.320 -5.320 819 3HD1 LEU 111 HD11 LEU 111 12.789 -6.568 -6.568 820 1HD2 LEU 111 HD21 LEU 111 8.740 -6.037 -6.037 821 2HD2 LEU 111 HD23 LEU 111 9.669 -6.259 -6.259 822 3HD2 LEU 111 HD22 LEU 111 9.636 -4.683 -4.683 823 HA PRO 112 HA PRO 112 6.974 -3.922 -3.922 824 1HB PRO 112 HB2 PRO 112 7.209 -1.879 -1.879 825 2HB PRO 112 HB1 PRO 112 5.810 -2.306 -2.306 826 1HG PRO 112 HG1 PRO 112 6.037 -3.199 -3.199 827 2HG PRO 112 HG2 PRO 112 5.365 -4.226 -4.226 828 1HD PRO 112 HD2 PRO 112 8.001 -4.372 -4.372 829 2HD PRO 112 HD1 PRO 112 7.044 -5.662 -5.662 830 H ILE 113 HN ILE 113 9.711 -2.629 -2.629 831 HA ILE 113 HA ILE 113 10.272 -0.528 -0.528 832 HB ILE 113 HB ILE 113 10.962 -0.591 -0.591 833 1HG1 ILE 113 HG12 ILE 113 12.852 0.118 0.118 834 2HG1 ILE 113 HG11 ILE 113 11.793 1.186 1.186 835 1HG2 ILE 113 HG22 ILE 113 11.953 -2.926 -2.926 836 2HG2 ILE 113 HG21 ILE 113 13.345 -2.122 -2.122 837 3HG2 ILE 113 HG23 ILE 113 12.882 -1.755 -1.755 838 1HD1 ILE 113 HD11 ILE 113 13.357 0.265 0.265 839 2HD1 ILE 113 HD13 ILE 113 14.486 0.202 0.202 840 3HD1 ILE 113 HD12 ILE 113 13.698 1.722 1.722 841 H HIS 114 HN HIS 114 11.294 -3.859 -3.859 842 HA HIS 114 HA HIS 114 13.598 -3.887 -3.887 843 1HB HIS 114 HB1 HIS 114 11.446 -5.913 -5.913 844 2HB HIS 114 HB2 HIS 114 12.712 -6.263 -6.263 845 HD2 HIS 114 HD2 HIS 114 14.997 -4.678 -4.678 846 HE1 HIS 114 HE1 HIS 114 14.158 -8.125 -8.125 847 HE2 HIS 114 HE2 HIS 114 15.675 -6.109 -6.109 848 H LEU 115 HN LEU 115 10.296 -4.552 -4.552 849 HA LEU 115 HA LEU 115 10.929 -4.678 -4.678 850 1HB LEU 115 HB2 LEU 115 8.444 -3.644 -3.644 851 2HB LEU 115 HB1 LEU 115 8.784 -5.333 -5.333 852 HG LEU 115 HG LEU 115 8.613 -3.475 -3.475 853 1HD1 LEU 115 HD13 LEU 115 6.347 -4.219 -4.219 854 2HD1 LEU 115 HD12 LEU 115 6.080 -4.116 -4.116 855 3HD1 LEU 115 HD11 LEU 115 6.661 -2.708 -2.708 856 1HD2 LEU 115 HD21 LEU 115 8.699 -6.280 -6.280 857 2HD2 LEU 115 HD23 LEU 115 8.689 -5.416 -5.416 858 3HD2 LEU 115 HD22 LEU 115 7.167 -5.886 -5.886 859 H ALA 116 HN ALA 116 9.824 -1.863 -1.863 860 HA ALA 116 HA ALA 116 9.837 0.020 0.020 861 1HB ALA 116 HB3 ALA 116 9.268 0.122 0.122 862 2HB ALA 116 HB2 ALA 116 10.825 0.951 0.951 863 3HB ALA 116 HB1 ALA 116 9.502 1.557 1.557 864 H ILE 117 HN ILE 117 12.498 -1.227 -1.227 865 HA ILE 117 HA ILE 117 14.466 0.619 0.619 866 HB ILE 117 HB ILE 117 14.664 -2.238 -2.238 867 1HG1 ILE 117 HG11 ILE 117 15.546 0.308 0.308 868 2HG1 ILE 117 HG12 ILE 117 13.934 -0.372 -0.372 869 1HG2 ILE 117 HG21 ILE 117 16.780 -0.431 -0.431 870 2HG2 ILE 117 HG23 ILE 117 17.153 -1.420 -1.420 871 3HG2 ILE 117 HG22 ILE 117 16.644 -2.188 -2.188 872 1HD1 ILE 117 HD11 ILE 117 15.677 -2.481 -2.481 873 2HD1 ILE 117 HD13 ILE 117 16.388 -1.079 -1.079 874 3HD1 ILE 117 HD12 ILE 117 14.733 -1.562 -1.562 875 H ARG 118 HN ARG 118 13.384 -2.444 -2.444 876 HA ARG 118 HA ARG 118 15.343 -2.506 -2.506 877 1HB ARG 118 HB2 ARG 118 12.732 -3.853 -3.853 878 2HB ARG 118 HB1 ARG 118 14.365 -4.466 -4.466 879 1HG ARG 118 HG2 ARG 118 14.244 -4.155 -4.155 880 2HG ARG 118 HG1 ARG 118 12.595 -4.639 -4.639 881 1HD ARG 118 HD2 ARG 118 15.150 -6.132 -6.132 882 2HD ARG 118 HD1 ARG 118 13.607 -6.681 -6.681 883 HE ARG 118 HE ARG 118 13.213 -6.097 -6.097 884 1HH1 ARG 118 HH21 ARG 118 15.046 -8.331 -8.331 885 2HH1 ARG 118 HH22 ARG 118 15.036 -9.583 -9.583 886 1HH2 ARG 118 HH11 ARG 118 13.191 -7.740 -7.740 887 2HH2 ARG 118 HH12 ARG 118 13.981 -9.247 -9.247 888 H GLU 119 HN GLU 119 12.548 -0.667 -0.667 889 HA GLU 119 HA GLU 119 12.238 -0.120 -0.120 890 1HB GLU 119 HB1 GLU 119 10.446 0.863 0.863 891 2HB GLU 119 HB2 GLU 119 10.099 0.804 0.804 892 1HG GLU 119 HG1 GLU 119 9.773 -1.496 -1.496 893 2HG GLU 119 HG2 GLU 119 10.630 -1.702 -1.702 894 H GLY 120 HN GLY 120 12.516 1.582 1.582 895 1HA GLY 120 HA1 GLY 120 13.635 3.534 3.534 896 2HA GLY 120 HA2 GLY 120 14.290 3.528 3.528 897 H HIS 121 HN HIS 121 10.866 3.392 3.392 898 HA HIS 121 HA HIS 121 9.904 5.164 5.164 899 1HB HIS 121 HB2 HIS 121 9.030 4.193 4.193 900 2HB HIS 121 HB1 HIS 121 8.492 5.850 5.850 901 HD2 HIS 121 HD2 HIS 121 7.389 2.369 2.369 902 HE1 HIS 121 HE1 HIS 121 5.491 4.888 4.888 903 HE2 HIS 121 HE2 HIS 121 5.431 2.623 2.623 904 H SER 122 HN SER 122 11.261 6.064 6.064 905 HA SER 122 HA SER 122 12.693 8.222 8.222 906 1HB SER 122 HB1 SER 122 11.106 9.435 9.435 907 2HB SER 122 HB2 SER 122 9.789 8.985 8.985 908 HG SER 122 HG SER 122 11.665 11.013 11.013 909 H SER 123 HN SER 123 10.227 9.517 9.517 910 HA SER 123 HA SER 123 11.852 9.269 9.269 911 1HB SER 123 HB1 SER 123 9.097 10.401 10.401 912 2HB SER 123 HB2 SER 123 9.843 10.377 10.377 913 HG SER 123 HG SER 123 11.091 11.971 11.971 914 H VAL 124 HN VAL 124 9.504 7.298 7.298 915 HA VAL 124 HA VAL 124 8.154 6.169 6.169 916 HB VAL 124 HB VAL 124 9.050 4.918 4.918 917 1HG1 VAL 124 HG12 VAL 124 8.728 3.174 3.174 918 2HG1 VAL 124 HG11 VAL 124 7.114 3.802 3.802 919 3HG1 VAL 124 HG13 VAL 124 7.481 3.112 3.112 920 1HG2 VAL 124 HG23 VAL 124 7.066 6.793 6.793 921 2HG2 VAL 124 HG22 VAL 124 7.270 5.898 5.898 922 3HG2 VAL 124 HG21 VAL 124 6.216 5.266 5.266 923 H VAL 125 HN VAL 125 10.927 4.636 4.636 924 HA VAL 125 HA VAL 125 11.437 2.688 2.688 925 HB VAL 125 HB VAL 125 13.692 4.030 4.030 926 1HG1 VAL 125 HG13 VAL 125 13.666 1.872 1.872 927 2HG1 VAL 125 HG12 VAL 125 13.345 1.105 1.105 928 3HG1 VAL 125 HG11 VAL 125 14.798 2.081 2.081 929 1HG2 VAL 125 HG21 VAL 125 11.467 2.390 2.390 930 2HG2 VAL 125 HG23 VAL 125 12.104 3.939 3.939 931 3HG2 VAL 125 HG22 VAL 125 13.060 2.470 2.470 932 H SER 126 HN SER 126 12.813 5.956 5.956 933 HA SER 126 HA SER 126 14.407 5.640 5.640 934 1HB SER 126 HB1 SER 126 14.553 8.203 8.203 935 2HB SER 126 HB2 SER 126 15.199 7.246 7.246 936 HG SER 126 HG SER 126 13.943 8.727 8.727 937 H PHE 127 HN PHE 127 11.136 6.501 6.501 938 HA PHE 127 HA PHE 127 10.699 7.932 7.932 939 1HB PHE 127 HB2 PHE 127 9.120 8.438 8.438 940 2HB PHE 127 HB1 PHE 127 8.914 6.750 6.750 941 HD1 PHE 127 HD2 PHE 127 8.071 9.295 9.295 942 HD2 PHE 127 HD1 PHE 127 7.335 5.350 5.350 943 HE1 PHE 127 HE2 PHE 127 6.086 9.140 9.140 944 HE2 PHE 127 HE1 PHE 127 5.349 5.186 5.186 945 HZ PHE 127 HZ PHE 127 4.724 7.083 7.083 946 H LEU 128 HN LEU 128 9.397 4.767 4.767 947 HA LEU 128 HA LEU 128 8.801 4.034 4.034 948 1HB LEU 128 HB2 LEU 128 7.970 1.978 1.978 949 2HB LEU 128 HB1 LEU 128 7.445 3.300 3.300 950 HG LEU 128 HG LEU 128 9.932 2.120 2.120 951 1HD1 LEU 128 HD13 LEU 128 7.535 0.361 0.361 952 2HD1 LEU 128 HD12 LEU 128 8.716 0.047 0.047 953 3HD1 LEU 128 HD11 LEU 128 9.219 0.048 0.048 954 1HD2 LEU 128 HD21 LEU 128 7.694 3.454 3.454 955 2HD2 LEU 128 HD23 LEU 128 9.085 2.856 2.856 956 3HD2 LEU 128 HD22 LEU 128 7.652 1.844 1.844 957 H ALA 129 HN ALA 129 11.696 4.508 4.508 958 HA ALA 129 HA ALA 129 13.077 2.058 2.058 959 1HB ALA 129 HB1 ALA 129 13.748 4.880 4.880 960 2HB ALA 129 HB3 ALA 129 14.829 3.670 3.670 961 3HB ALA 129 HB2 ALA 129 14.545 3.707 3.707 962 HA PRO 130 HA PRO 130 13.233 2.413 2.413 963 1HB PRO 130 HB2 PRO 130 11.882 4.387 4.387 964 2HB PRO 130 HB1 PRO 130 13.502 4.637 4.637 965 1HG PRO 130 HG2 PRO 130 10.843 5.381 5.381 966 2HG PRO 130 HG1 PRO 130 12.348 6.319 6.319 967 1HD PRO 130 HD2 PRO 130 11.489 4.910 4.910 968 2HD PRO 130 HD1 PRO 130 13.195 5.258 5.258 969 H GLU 131 HN GLU 131 10.165 3.431 3.431 970 HA GLU 131 HA GLU 131 8.383 2.407 2.407 971 1HB GLU 131 HB1 GLU 131 8.017 2.397 2.397 972 2HB GLU 131 HB2 GLU 131 6.744 2.371 2.371 973 1HG GLU 131 HG2 GLU 131 8.656 4.624 4.624 974 2HG GLU 131 HG1 GLU 131 6.931 4.576 4.576 975 H SER 132 HN SER 132 10.406 0.771 0.771 976 HA SER 132 HA SER 132 9.099 -1.786 -1.786 977 1HB SER 132 HB2 SER 132 10.904 -1.336 -1.336 978 2HB SER 132 HB1 SER 132 9.764 -2.653 -2.653 979 HG SER 132 HG SER 132 8.550 -0.223 -0.223 980 H ASP 133 HN ASP 133 10.371 -3.543 -3.543 981 HA ASP 133 HA ASP 133 12.399 -3.275 -3.275 982 1HB ASP 133 HB1 ASP 133 12.831 -5.548 -5.548 983 2HB ASP 133 HB2 ASP 133 11.206 -5.419 -5.419 984 H LEU 134 HN LEU 134 14.109 -1.964 -1.964 985 HA LEU 134 HA LEU 134 15.521 -1.752 -1.752 986 1HB LEU 134 HB2 LEU 134 15.531 -0.354 -0.354 987 2HB LEU 134 HB1 LEU 134 17.030 -0.334 -0.334 988 HG LEU 134 HG LEU 134 14.365 0.808 0.808 989 1HD1 LEU 134 HD11 LEU 134 16.948 1.843 1.843 990 2HD1 LEU 134 HD13 LEU 134 16.301 2.650 2.650 991 3HD1 LEU 134 HD12 LEU 134 15.345 2.578 2.578 992 1HD2 LEU 134 HD21 LEU 134 16.740 0.167 0.167 993 2HD2 LEU 134 HD23 LEU 134 15.048 -0.257 -0.257 994 3HD2 LEU 134 HD22 LEU 134 15.573 1.419 1.419 995 H HIS 135 HN HIS 135 15.925 -4.217 -4.217 996 HA HIS 135 HA HIS 135 18.673 -4.594 -4.594 997 1HB HIS 135 HB2 HIS 135 18.052 -4.399 -4.399 998 2HB HIS 135 HB1 HIS 135 16.953 -5.760 -5.760 999 HD2 HIS 135 HD2 HIS 135 20.837 -5.183 -5.183 1000 HE1 HIS 135 HE1 HIS 135 20.078 -9.100 -9.100 1001 HE2 HIS 135 HE2 HIS 135 21.863 -7.484 -7.484 1002 H HIS 136 HN HIS 136 15.703 -6.496 -6.496 1003 HA HIS 136 HA HIS 136 16.409 -8.928 -8.928 1004 1HB HIS 136 HB1 HIS 136 14.168 -8.532 -8.532 1005 2HB HIS 136 HB2 HIS 136 13.835 -7.450 -7.450 1006 HD2 HIS 136 HD2 HIS 136 12.242 -8.683 -8.683 1007 HE1 HIS 136 HE1 HIS 136 13.838 -12.579 -12.579 1008 HE2 HIS 136 HE2 HIS 136 12.237 -11.119 -11.119 1009 H ARG 137 HN ARG 137 16.036 -10.036 -10.036 1010 HA ARG 137 HA ARG 137 16.335 -8.324 -8.324 1011 1HB ARG 137 HB2 ARG 137 18.091 -10.603 -10.603 1012 2HB ARG 137 HB1 ARG 137 18.450 -8.894 -8.894 1013 1HG ARG 137 HG2 ARG 137 19.048 -8.624 -8.624 1014 2HG ARG 137 HG1 ARG 137 18.255 -10.124 -10.124 1015 1HD ARG 137 HD2 ARG 137 19.936 -11.453 -11.453 1016 2HD ARG 137 HD1 ARG 137 20.585 -10.101 -10.101 1017 HE ARG 137 HE ARG 137 20.998 -9.250 -9.250 1018 1HH1 ARG 137 HH11 ARG 137 21.582 -12.358 -12.358 1019 2HH1 ARG 137 HH12 ARG 137 22.926 -12.732 -12.732 1020 1HH2 ARG 137 HH21 ARG 137 22.769 -9.732 -9.732 1021 2HH2 ARG 137 HH22 ARG 137 23.601 -11.241 -11.241 1022 H ASP 138 HN ASP 138 15.915 -9.416 -9.416 1023 HA ASP 138 HA ASP 138 13.687 -11.116 -11.116 1024 1HB ASP 138 HB2 ASP 138 14.852 -9.585 -9.585 1025 2HB ASP 138 HB1 ASP 138 15.305 -11.197 -11.197 1026 H ALA 139 HN ALA 139 13.459 -13.309 -13.309 1027 HA ALA 139 HA ALA 139 15.251 -15.101 -15.101 1028 1HB ALA 139 HB3 ALA 139 12.785 -15.428 -15.428 1029 2HB ALA 139 HB2 ALA 139 13.487 -15.938 -15.938 1030 3HB ALA 139 HB1 ALA 139 13.888 -16.804 -16.804 1031 H SER 140 HN SER 140 15.425 -13.448 -13.448 1032 HA SER 140 HA SER 140 17.010 -15.320 -15.320 1033 1HB SER 140 HB2 SER 140 15.666 -12.986 -12.986 1034 2HB SER 140 HB1 SER 140 17.362 -12.516 -12.516 1035 HG SER 140 HG SER 140 16.535 -13.368 -13.368 1036 H GLY 141 HN GLY 141 17.742 -12.340 -12.340 1037 1HA GLY 141 HA2 GLY 141 19.792 -12.667 -12.667 1038 2HA GLY 141 HA1 GLY 141 20.587 -13.127 -13.127 1039 H LEU 142 HN LEU 142 18.424 -10.464 -10.464 1040 HA LEU 142 HA LEU 142 20.511 -8.529 -8.529 1041 1HB LEU 142 HB1 LEU 142 17.925 -8.494 -8.494 1042 2HB LEU 142 HB2 LEU 142 19.167 -7.259 -7.259 1043 HG LEU 142 HG LEU 142 19.762 -10.100 -10.100 1044 1HD1 LEU 142 HD13 LEU 142 17.910 -8.448 -8.448 1045 2HD1 LEU 142 HD12 LEU 142 19.387 -8.372 -8.372 1046 3HD1 LEU 142 HD11 LEU 142 18.644 -9.932 -9.932 1047 1HD2 LEU 142 HD22 LEU 142 21.539 -8.303 -8.303 1048 2HD2 LEU 142 HD21 LEU 142 21.663 -9.229 -9.229 1049 3HD2 LEU 142 HD23 LEU 142 21.014 -7.589 -7.589 1050 H THR 143 HN THR 143 20.397 -6.958 -6.958 1051 HA THR 143 HA THR 143 17.906 -6.641 -6.641 1052 HB THR 143 HB THR 143 19.155 -6.119 -6.119 1053 HG1 THR 143 HG1 THR 143 21.276 -5.046 -5.046 1054 1HG2 THR 143 HG23 THR 143 20.371 -8.102 -8.102 1055 2HG2 THR 143 HG22 THR 143 21.702 -7.008 -7.008 1056 3HG2 THR 143 HG21 THR 143 20.716 -7.680 -7.680 1057 HA PRO 144 HA PRO 144 16.837 -2.482 -2.482 1058 1HB PRO 144 HB2 PRO 144 18.330 -1.444 -1.444 1059 2HB PRO 144 HB1 PRO 144 16.686 -1.084 -1.084 1060 1HG PRO 144 HG2 PRO 144 17.111 -2.747 -2.747 1061 2HG PRO 144 HG1 PRO 144 15.832 -3.069 -3.069 1062 1HD PRO 144 HD2 PRO 144 18.482 -4.383 -4.383 1063 2HD PRO 144 HD1 PRO 144 16.949 -5.062 -5.062 1064 H LEU 145 HN LEU 145 20.067 -2.209 -2.209 1065 HA LEU 145 HA LEU 145 20.939 -0.226 -0.226 1066 1HB LEU 145 HB2 LEU 145 21.884 -1.385 -1.385 1067 2HB LEU 145 HB1 LEU 145 23.155 -1.552 -1.552 1068 HG LEU 145 HG LEU 145 21.855 1.112 1.112 1069 1HD1 LEU 145 HD12 LEU 145 23.136 -0.275 -0.275 1070 2HD1 LEU 145 HD11 LEU 145 24.033 1.175 1.175 1071 3HD1 LEU 145 HD13 LEU 145 22.327 1.293 1.293 1072 1HD2 LEU 145 HD21 LEU 145 24.593 0.072 0.072 1073 2HD2 LEU 145 HD23 LEU 145 23.473 0.962 0.962 1074 3HD2 LEU 145 HD22 LEU 145 24.274 1.778 1.778 1075 H GLU 146 HN GLU 146 21.319 -3.716 -3.716 1076 HA GLU 146 HA GLU 146 23.272 -3.980 -3.980 1077 1HB GLU 146 HB1 GLU 146 22.025 -5.685 -5.685 1078 2HB GLU 146 HB2 GLU 146 21.442 -6.244 -6.244 1079 1HG GLU 146 HG1 GLU 146 24.314 -5.963 -5.963 1080 2HG GLU 146 HG2 GLU 146 23.418 -7.465 -7.465 1081 H LEU 147 HN LEU 147 19.739 -4.471 -4.471 1082 HA LEU 147 HA LEU 147 19.468 -5.077 -5.077 1083 1HB LEU 147 HB2 LEU 147 17.757 -4.363 -4.363 1084 2HB LEU 147 HB1 LEU 147 17.311 -3.370 -3.370 1085 HG LEU 147 HG LEU 147 17.161 -6.340 -6.340 1086 1HD1 LEU 147 HD12 LEU 147 15.337 -4.235 -4.235 1087 2HD1 LEU 147 HD11 LEU 147 15.126 -5.024 -5.024 1088 3HD1 LEU 147 HD13 LEU 147 14.976 -5.961 -5.961 1089 1HD2 LEU 147 HD21 LEU 147 17.565 -4.825 -4.825 1090 2HD2 LEU 147 HD23 LEU 147 18.363 -6.297 -6.297 1091 3HD2 LEU 147 HD22 LEU 147 16.677 -6.348 -6.348 1092 H ALA 148 HN ALA 148 19.715 -1.932 -1.932 1093 HA ALA 148 HA ALA 148 19.164 -0.311 -0.311 1094 1HB ALA 148 HB1 ALA 148 20.408 0.038 0.038 1095 2HB ALA 148 HB3 ALA 148 20.944 1.179 1.179 1096 3HB ALA 148 HB2 ALA 148 19.231 1.043 1.043 1097 H ARG 149 HN ARG 149 22.170 -1.784 -1.784 1098 HA ARG 149 HA ARG 149 23.957 -0.535 -0.535 1099 1HB ARG 149 HB1 ARG 149 24.699 -1.909 -1.909 1100 2HB ARG 149 HB2 ARG 149 24.042 -3.347 -3.347 1101 1HG ARG 149 HG2 ARG 149 26.098 -3.654 -3.654 1102 2HG ARG 149 HG1 ARG 149 25.713 -2.360 -2.360 1103 1HD ARG 149 HD1 ARG 149 27.117 -0.922 -0.922 1104 2HD ARG 149 HD2 ARG 149 26.605 -1.395 -1.395 1105 HE ARG 149 HE ARG 149 28.165 -3.458 -3.458 1106 1HH1 ARG 149 HH21 ARG 149 28.511 -0.131 -0.131 1107 2HH1 ARG 149 HH22 ARG 149 30.175 -0.298 -0.298 1108 1HH2 ARG 149 HH11 ARG 149 30.356 -3.694 -3.694 1109 2HH2 ARG 149 HH12 ARG 149 31.223 -2.325 -2.325 1110 H GLN 150 HN GLN 150 21.810 -3.270 -3.270 1111 HA GLN 150 HA GLN 150 22.819 -4.110 -4.110 1112 1HB GLN 150 HB2 GLN 150 21.521 -5.720 -5.720 1113 2HB GLN 150 HB1 GLN 150 20.277 -4.561 -4.561 1114 1HG GLN 150 HG1 GLN 150 19.431 -6.050 -6.050 1115 2HG GLN 150 HG2 GLN 150 19.582 -4.428 -4.428 1116 1HE2 GLN 150 HE22 GLN 150 21.804 -7.511 -7.511 1117 2HE2 GLN 150 HE21 GLN 150 20.905 -7.653 -7.653 1118 H ARG 151 HN ARG 151 19.577 -2.758 -2.758 1119 HA ARG 151 HA ARG 151 19.526 -1.630 -1.630 1120 1HB ARG 151 HB2 ARG 151 17.651 -1.968 -1.968 1121 2HB ARG 151 HB1 ARG 151 17.427 -0.471 -0.471 1122 1HG ARG 151 HG2 ARG 151 16.005 -2.134 -2.134 1123 2HG ARG 151 HG1 ARG 151 17.307 -1.806 -1.806 1124 1HD ARG 151 HD1 ARG 151 18.413 -3.819 -3.819 1125 2HD ARG 151 HD2 ARG 151 17.438 -4.067 -4.067 1126 HE ARG 151 HE ARG 151 15.754 -4.943 -4.943 1127 1HH1 ARG 151 HH11 ARG 151 18.205 -3.507 -3.507 1128 2HH1 ARG 151 HH12 ARG 151 17.577 -4.177 -4.177 1129 1HH2 ARG 151 HH21 ARG 151 14.916 -5.830 -5.830 1130 2HH2 ARG 151 HH22 ARG 151 15.706 -5.495 -5.495 1131 H GLY 152 HN GLY 152 21.582 -0.430 -0.430 1132 1HA GLY 152 HA1 GLY 152 21.592 1.791 1.791 1133 2HA GLY 152 HA2 GLY 152 22.737 1.493 1.493 1134 H ALA 153 HN ALA 153 19.227 2.113 2.113 1135 HA ALA 153 HA ALA 153 19.028 3.538 3.538 1136 1HB ALA 153 HB2 ALA 153 17.193 2.893 2.893 1137 2HB ALA 153 HB1 ALA 153 17.542 4.440 4.440 1138 3HB ALA 153 HB3 ALA 153 16.990 4.395 4.395 1139 H GLN 154 HN GLN 154 20.417 4.531 4.531 1140 HA GLN 154 HA GLN 154 22.016 6.525 6.525 1141 1HB GLN 154 HB2 GLN 154 20.712 8.593 8.593 1142 2HB GLN 154 HB1 GLN 154 20.232 7.865 7.865 1143 1HG GLN 154 HG2 GLN 154 18.302 8.510 8.510 1144 2HG GLN 154 HG1 GLN 154 18.360 6.769 6.769 1145 1HE2 GLN 154 HE22 GLN 154 18.439 5.950 5.950 1146 2HE2 GLN 154 HE21 GLN 154 18.402 5.435 5.435 1147 H ASN 155 HN ASN 155 20.901 8.290 8.290 1148 HA ASN 155 HA ASN 155 22.705 7.100 7.100 1149 1HB ASN 155 HB2 ASN 155 20.769 9.401 9.401 1150 2HB ASN 155 HB1 ASN 155 22.023 8.955 8.955 1151 1HD2 ASN 155 HD22 ASN 155 23.400 11.698 11.698 1152 2HD2 ASN 155 HD21 ASN 155 22.145 11.434 11.434 1153 H LEU 156 HN LEU 156 20.718 5.215 5.215 1154 HA LEU 156 HA LEU 156 18.551 5.186 5.186 1155 1HB LEU 156 HB1 LEU 156 19.809 3.366 3.366 1156 2HB LEU 156 HB2 LEU 156 19.253 2.524 2.524 1157 HG LEU 156 HG LEU 156 17.588 4.188 4.188 1158 1HD1 LEU 156 HD11 LEU 156 17.923 1.270 1.270 1159 2HD1 LEU 156 HD13 LEU 156 16.358 1.886 1.886 1160 3HD1 LEU 156 HD12 LEU 156 17.790 2.133 2.133 1161 1HD2 LEU 156 HD23 LEU 156 16.921 2.982 2.982 1162 2HD2 LEU 156 HD22 LEU 156 16.707 4.649 4.649 1163 3HD2 LEU 156 HD21 LEU 156 15.691 3.372 3.372 1164 H MET 157 HN MET 157 21.407 3.065 3.065 1165 HA MET 157 HA MET 157 21.025 2.202 2.202 1166 1HB MET 157 HB2 MET 157 23.112 1.251 1.251 1167 2HB MET 157 HB1 MET 157 22.766 1.556 1.556 1168 1HG MET 157 HG2 MET 157 24.069 3.614 3.614 1169 2HG MET 157 HG1 MET 157 24.435 3.300 3.300 1170 1HE MET 157 HE3 MET 157 25.491 0.812 0.812 1171 2HE MET 157 HE2 MET 157 27.115 0.675 0.675 1172 3HE MET 157 HE1 MET 157 26.578 2.200 2.200 1173 H ASP 158 HN ASP 158 22.082 5.270 5.270 1174 HA ASP 158 HA ASP 158 23.437 6.078 6.078 1175 1HB ASP 158 HB1 ASP 158 22.468 8.352 8.352 1176 2HB ASP 158 HB2 ASP 158 22.970 7.158 7.158 1177 H ILE 159 HN ILE 159 20.220 6.836 6.836 1178 HA ILE 159 HA ILE 159 19.370 8.436 8.436 1179 HB ILE 159 HB ILE 159 17.493 6.733 6.733 1180 1HG1 ILE 159 HG12 ILE 159 18.001 9.369 9.369 1181 2HG1 ILE 159 HG11 ILE 159 19.451 8.374 8.374 1182 1HG2 ILE 159 HG22 ILE 159 17.363 9.385 9.385 1183 2HG2 ILE 159 HG21 ILE 159 16.175 8.904 8.904 1184 3HG2 ILE 159 HG23 ILE 159 16.369 7.955 7.955 1185 1HD1 ILE 159 HD11 ILE 159 17.879 6.578 6.578 1186 2HD1 ILE 159 HD13 ILE 159 16.858 7.964 7.964 1187 3HD1 ILE 159 HD12 ILE 159 18.504 7.883 7.883 1188 H LEU 160 HN LEU 160 19.621 5.000 5.000 1189 HA LEU 160 HA LEU 160 17.739 4.332 4.332 1190 1HB LEU 160 HB2 LEU 160 19.988 2.498 2.498 1191 2HB LEU 160 HB1 LEU 160 18.275 2.158 2.158 1192 HG LEU 160 HG LEU 160 19.738 3.196 3.196 1193 1HD1 LEU 160 HD11 LEU 160 18.213 0.742 0.742 1194 2HD1 LEU 160 HD13 LEU 160 18.233 1.281 1.281 1195 3HD1 LEU 160 HD12 LEU 160 19.747 0.906 0.906 1196 1HD2 LEU 160 HD22 LEU 160 16.886 3.540 3.540 1197 2HD2 LEU 160 HD21 LEU 160 17.959 4.595 4.595 1198 3HD2 LEU 160 HD23 LEU 160 17.280 3.153 3.153 1199 H GLN 161 HN GLN 161 21.166 5.040 5.040 1200 HA GLN 161 HA GLN 161 21.732 4.161 4.161 1201 1HB GLN 161 HB2 GLN 161 23.158 5.406 5.406 1202 2HB GLN 161 HB1 GLN 161 23.583 6.149 6.149 1203 1HG GLN 161 HG2 GLN 161 23.804 3.637 3.637 1204 2HG GLN 161 HG1 GLN 161 24.051 3.385 3.385 1205 1HE2 GLN 161 HE22 GLN 161 26.940 5.701 5.701 1206 2HE2 GLN 161 HE21 GLN 161 25.392 5.699 5.699 1207 H GLY 162 HN GLY 162 20.572 7.155 7.155 1208 1HA GLY 162 HA2 GLY 162 21.055 8.771 8.771 1209 2HA GLY 162 HA1 GLY 162 20.006 9.176 9.176 1210 H HIS 163 HN HIS 163 18.106 7.252 7.252 1211 HA HIS 163 HA HIS 163 16.476 8.079 8.079 1212 1HB HIS 163 HB1 HIS 163 16.154 6.129 6.129 1213 2HB HIS 163 HB2 HIS 163 14.973 6.165 6.165 1214 HD2 HIS 163 HD2 HIS 163 16.541 8.988 8.988 1215 HE1 HIS 163 HE1 HIS 163 12.368 9.559 9.559 1216 HE2 HIS 163 HE2 HIS 163 14.522 10.544 10.544 1217 H MET 164 HN MET 164 18.780 5.610 5.610 1218 HA MET 164 HA MET 164 17.646 3.749 3.749 1219 1HB MET 164 HB2 MET 164 20.133 3.965 3.965 1220 2HB MET 164 HB1 MET 164 20.259 3.059 3.059 1221 1HG MET 164 HG1 MET 164 18.578 1.526 1.526 1222 2HG MET 164 HG2 MET 164 18.181 2.512 2.512 1223 1HE MET 164 HE3 MET 164 19.700 -0.294 -0.294 1224 2HE MET 164 HE2 MET 164 20.814 -0.960 -0.960 1225 3HE MET 164 HE1 MET 164 21.397 0.186 0.186 1226 H MET 165 HN MET 165 19.018 3.067 3.067 1227 HA MET 165 HA MET 165 20.294 5.341 5.341 1228 1HB MET 165 HB2 MET 165 18.013 5.462 5.462 1229 2HB MET 165 HB1 MET 165 17.992 3.740 3.740 1230 1HG MET 165 HG2 MET 165 19.932 4.303 4.303 1231 2HG MET 165 HG1 MET 165 19.339 5.956 5.956 1232 1HE MET 165 HE3 MET 165 19.795 4.727 4.727 1233 2HE MET 165 HE2 MET 165 18.447 5.547 5.547 1234 3HE MET 165 HE1 MET 165 18.560 3.789 3.789 1235 H ILE 166 HN ILE 166 21.991 4.789 4.789 1236 HA ILE 166 HA ILE 166 22.323 2.070 2.070 1237 HB ILE 166 HB ILE 166 23.217 1.940 1.940 1238 1HG1 ILE 166 HG12 ILE 166 25.375 1.862 1.862 1239 2HG1 ILE 166 HG11 ILE 166 24.210 0.579 0.579 1240 1HG2 ILE 166 HG23 ILE 166 23.943 4.460 4.460 1241 2HG2 ILE 166 HG22 ILE 166 25.466 3.753 3.753 1242 3HG2 ILE 166 HG21 ILE 166 24.811 3.333 3.333 1243 1HD1 ILE 166 HD12 ILE 166 25.699 1.392 1.392 1244 2HD1 ILE 166 HD11 ILE 166 26.711 0.756 0.756 1245 3HD1 ILE 166 HD13 ILE 166 25.388 -0.216 -0.216 1246 HA PRO 167 HA PRO 167 23.839 4.641 4.641 1247 1HB PRO 167 HB1 PRO 167 24.804 1.949 1.949 1248 2HB PRO 167 HB2 PRO 167 23.919 3.171 3.171 1249 1HG PRO 167 HG2 PRO 167 22.675 1.006 1.006 1250 2HG PRO 167 HG1 PRO 167 21.877 2.589 2.589 1251 1HD PRO 167 HD1 PRO 167 23.083 1.049 1.049 1252 2HD PRO 167 HD2 PRO 167 21.663 2.114 2.114 1253 H MET 168 HN MET 168 25.526 5.784 5.784 1254 HA MET 168 HA MET 168 27.951 4.514 4.514 1255 1HB MET 168 HB2 MET 168 27.195 7.409 7.409 1256 2HB MET 168 HB1 MET 168 28.771 6.897 6.897 1257 1HG MET 168 HG1 MET 168 27.532 5.695 5.695 1258 2HG MET 168 HG2 MET 168 26.101 6.581 6.581 1259 1HE MET 168 HE3 MET 168 29.083 6.235 6.235 1260 2HE MET 168 HE2 MET 168 28.903 7.494 7.494 1261 3HE MET 168 HE1 MET 168 29.983 7.743 7.743 Start of MODEL 6 1 1H GLY 1 HT2 GLY 1 -20.351 -9.159 -9.159 2 2H GLY 1 HT1 GLY 1 -20.032 -9.956 -9.956 3 3H GLY 1 HT3 GLY 1 -18.792 -9.725 -9.725 4 1HA GLY 1 HA1 GLY 1 -19.234 -11.688 -11.688 5 2HA GLY 1 HA2 GLY 1 -20.593 -11.874 -11.874 6 H SER 2 HN SER 2 -20.217 -9.370 -9.370 7 HA SER 2 HA SER 2 -22.809 -9.626 -9.626 8 1HB SER 2 HB2 SER 2 -20.388 -8.158 -8.158 9 2HB SER 2 HB1 SER 2 -21.356 -8.595 -8.595 10 HG SER 2 HG SER 2 -21.782 -6.576 -6.576 11 H MET 3 HN MET 3 -23.094 -11.911 -11.911 12 HA MET 3 HA MET 3 -21.637 -13.171 -13.171 13 1HB MET 3 HB1 MET 3 -23.003 -14.088 -14.088 14 2HB MET 3 HB2 MET 3 -23.617 -14.925 -14.925 15 1HG MET 3 HG1 MET 3 -21.221 -15.421 -15.421 16 2HG MET 3 HG2 MET 3 -20.787 -14.819 -14.819 17 1HE MET 3 HE1 MET 3 -22.234 -17.359 -17.359 18 2HE MET 3 HE3 MET 3 -20.873 -18.260 -18.260 19 3HE MET 3 HE2 MET 3 -22.524 -18.789 -18.789 20 H LEU 4 HN LEU 4 -22.628 -11.650 -11.650 21 HA LEU 4 HA LEU 4 -25.412 -12.306 -12.306 22 1HB LEU 4 HB2 LEU 4 -25.404 -10.315 -10.315 23 2HB LEU 4 HB1 LEU 4 -24.880 -9.929 -9.929 24 HG LEU 4 HG LEU 4 -22.521 -10.462 -10.462 25 1HD1 LEU 4 HD23 LEU 4 -24.385 -9.972 -9.972 26 2HD1 LEU 4 HD22 LEU 4 -23.736 -8.360 -8.360 27 3HD1 LEU 4 HD21 LEU 4 -22.654 -9.675 -9.675 28 1HD2 LEU 4 HD11 LEU 4 -23.067 -8.756 -8.756 29 2HD2 LEU 4 HD13 LEU 4 -21.990 -8.221 -8.221 30 3HD2 LEU 4 HD12 LEU 4 -23.685 -7.736 -7.736 31 H LEU 5 HN LEU 5 -25.936 -13.406 -13.406 32 HA LEU 5 HA LEU 5 -24.164 -15.006 -15.006 33 1HB LEU 5 HB2 LEU 5 -26.911 -14.457 -14.457 34 2HB LEU 5 HB1 LEU 5 -26.321 -14.228 -14.228 35 HG LEU 5 HG LEU 5 -27.156 -16.517 -16.517 36 1HD1 LEU 5 HD21 LEU 5 -25.164 -15.844 -15.844 37 2HD1 LEU 5 HD23 LEU 5 -24.211 -16.772 -16.772 38 3HD1 LEU 5 HD22 LEU 5 -25.536 -17.544 -17.544 39 1HD2 LEU 5 HD13 LEU 5 -26.353 -16.507 -16.507 40 2HD2 LEU 5 HD12 LEU 5 -26.131 -17.999 -17.999 41 3HD2 LEU 5 HD11 LEU 5 -24.764 -16.917 -16.917 42 H GLU 6 HN GLU 6 -23.482 -14.974 -14.974 43 HA GLU 6 HA GLU 6 -22.069 -12.615 -12.615 44 1HB GLU 6 HB2 GLU 6 -21.412 -14.947 -14.947 45 2HB GLU 6 HB1 GLU 6 -22.693 -14.913 -14.913 46 1HG GLU 6 HG1 GLU 6 -20.157 -14.273 -14.273 47 2HG GLU 6 HG2 GLU 6 -21.530 -13.588 -13.588 48 H GLU 7 HN GLU 7 -23.803 -11.042 -11.042 49 HA GLU 7 HA GLU 7 -25.483 -11.085 -11.085 50 1HB GLU 7 HB2 GLU 7 -26.456 -10.832 -10.832 51 2HB GLU 7 HB1 GLU 7 -25.865 -9.180 -9.180 52 1HG GLU 7 HG1 GLU 7 -28.019 -10.524 -10.524 53 2HG GLU 7 HG2 GLU 7 -28.060 -8.998 -8.998 54 H VAL 8 HN VAL 8 -22.717 -9.690 -9.690 55 HA VAL 8 HA VAL 8 -21.497 -7.798 -7.798 56 HB VAL 8 HB VAL 8 -22.536 -8.545 -8.545 57 1HG1 VAL 8 HG23 VAL 8 -21.759 -6.208 -6.208 58 2HG1 VAL 8 HG22 VAL 8 -20.209 -6.755 -6.755 59 3HG1 VAL 8 HG21 VAL 8 -20.716 -7.238 -7.238 60 1HG2 VAL 8 HG11 VAL 8 -20.197 -9.363 -9.363 61 2HG2 VAL 8 HG13 VAL 8 -21.297 -10.353 -10.353 62 3HG2 VAL 8 HG12 VAL 8 -20.067 -9.373 -9.373 63 H CYS 9 HN CYS 9 -23.720 -7.120 -7.120 64 HA CYS 9 HA CYS 9 -25.019 -5.309 -5.309 65 1HB CYS 9 HB2 CYS 9 -26.471 -6.062 -6.062 66 2HB CYS 9 HB1 CYS 9 -25.386 -5.466 -5.466 67 HG CYS 9 HG CYS 9 -26.546 -3.257 -3.257 68 H VAL 10 HN VAL 10 -23.873 -4.197 -4.197 69 HA VAL 10 HA VAL 10 -22.885 -1.754 -1.754 70 HB VAL 10 HB VAL 10 -24.165 -1.768 -1.768 71 1HG1 VAL 10 HG23 VAL 10 -22.165 -3.647 -3.647 72 2HG1 VAL 10 HG22 VAL 10 -21.965 -2.235 -2.235 73 3HG1 VAL 10 HG21 VAL 10 -23.517 -3.069 -3.069 74 1HG2 VAL 10 HG13 VAL 10 -21.567 -0.429 -0.429 75 2HG2 VAL 10 HG12 VAL 10 -23.178 0.258 0.258 76 3HG2 VAL 10 HG11 VAL 10 -22.266 -0.287 -0.287 77 H GLY 11 HN GLY 11 -21.671 -4.792 -4.792 78 1HA GLY 11 HA1 GLY 11 -19.101 -4.311 -4.311 79 2HA GLY 11 HA2 GLY 11 -19.563 -5.683 -5.683 80 H ASP 12 HN ASP 12 -20.069 -4.810 -4.810 81 HA ASP 12 HA ASP 12 -17.510 -3.807 -3.807 82 1HB ASP 12 HB2 ASP 12 -18.381 -4.339 -4.339 83 2HB ASP 12 HB1 ASP 12 -18.485 -5.712 -5.712 84 H ARG 13 HN ARG 13 -19.841 -2.182 -2.182 85 HA ARG 13 HA ARG 13 -20.456 -0.259 -0.259 86 1HB ARG 13 HB2 ARG 13 -22.088 -0.810 -0.810 87 2HB ARG 13 HB1 ARG 13 -20.989 -0.150 -0.150 88 1HG ARG 13 HG2 ARG 13 -22.461 1.589 1.589 89 2HG ARG 13 HG1 ARG 13 -21.131 2.014 2.014 90 1HD ARG 13 HD1 ARG 13 -23.080 2.351 2.351 91 2HD ARG 13 HD2 ARG 13 -22.426 0.813 0.813 92 HE ARG 13 HE ARG 13 -24.362 0.525 0.525 93 1HH1 ARG 13 HH11 ARG 13 -23.917 0.900 0.900 94 2HH1 ARG 13 HH12 ARG 13 -25.425 0.152 0.152 95 1HH2 ARG 13 HH21 ARG 13 -26.348 -0.463 -0.463 96 2HH2 ARG 13 HH22 ARG 13 -26.808 -0.624 -0.624 97 H LEU 14 HN LEU 14 -18.973 0.117 0.117 98 HA LEU 14 HA LEU 14 -17.726 2.580 2.580 99 1HB LEU 14 HB2 LEU 14 -18.109 2.527 2.527 100 2HB LEU 14 HB1 LEU 14 -17.787 0.808 0.808 101 HG LEU 14 HG LEU 14 -15.378 1.235 1.235 102 1HD1 LEU 14 HD22 LEU 14 -15.934 3.482 3.482 103 2HD1 LEU 14 HD21 LEU 14 -15.748 4.156 4.156 104 3HD1 LEU 14 HD23 LEU 14 -14.426 3.248 3.248 105 1HD2 LEU 14 HD11 LEU 14 -17.134 2.112 2.112 106 2HD2 LEU 14 HD13 LEU 14 -15.574 1.298 1.298 107 3HD2 LEU 14 HD12 LEU 14 -15.645 3.057 3.057 108 H SER 15 HN SER 15 -16.560 -0.742 -0.742 109 HA SER 15 HA SER 15 -13.839 -0.282 -0.282 110 1HB SER 15 HB1 SER 15 -13.852 -2.483 -2.483 111 2HB SER 15 HB2 SER 15 -15.587 -2.556 -2.556 112 HG SER 15 HG SER 15 -13.443 -2.982 -2.982 113 H GLY 16 HN GLY 16 -16.439 -0.532 -0.532 114 1HA GLY 16 HA1 GLY 16 -14.761 -0.778 -0.778 115 2HA GLY 16 HA2 GLY 16 -16.467 -0.354 -0.354 116 H ALA 17 HN ALA 17 -16.476 1.963 1.963 117 HA ALA 17 HA ALA 17 -15.602 3.859 3.859 118 1HB ALA 17 HB2 ALA 17 -17.580 4.004 4.004 119 2HB ALA 17 HB1 ALA 17 -16.381 4.591 4.591 120 3HB ALA 17 HB3 ALA 17 -16.665 5.471 5.471 121 H ALA 18 HN ALA 18 -14.545 3.190 3.190 122 HA ALA 18 HA ALA 18 -12.490 5.064 5.064 123 1HB ALA 18 HB2 ALA 18 -12.725 2.384 2.384 124 2HB ALA 18 HB1 ALA 18 -11.552 3.629 3.629 125 3HB ALA 18 HB3 ALA 18 -13.276 3.942 3.942 126 H ALA 19 HN ALA 19 -12.458 1.729 1.729 127 HA ALA 19 HA ALA 19 -9.650 1.664 1.664 128 1HB ALA 19 HB3 ALA 19 -11.086 -0.346 -0.346 129 2HB ALA 19 HB2 ALA 19 -11.764 -0.092 -0.092 130 3HB ALA 19 HB1 ALA 19 -10.046 -0.446 -0.446 131 H ARG 20 HN ARG 20 -12.380 2.871 2.871 132 HA ARG 20 HA ARG 20 -11.237 2.775 2.775 133 1HB ARG 20 HB1 ARG 20 -13.565 4.266 4.266 134 2HB ARG 20 HB2 ARG 20 -13.072 4.505 4.505 135 1HG ARG 20 HG1 ARG 20 -13.350 1.697 1.697 136 2HG ARG 20 HG2 ARG 20 -14.837 2.603 2.603 137 1HD ARG 20 HD1 ARG 20 -15.114 2.070 2.070 138 2HD ARG 20 HD2 ARG 20 -14.298 3.625 3.625 139 HE ARG 20 HE ARG 20 -12.511 1.373 1.373 140 1HH1 ARG 20 HH21 ARG 20 -14.510 3.417 3.417 141 2HH1 ARG 20 HH22 ARG 20 -13.625 3.094 3.094 142 1HH2 ARG 20 HH11 ARG 20 -11.337 0.939 0.939 143 2HH2 ARG 20 HH12 ARG 20 -11.820 1.683 1.683 144 H GLY 21 HN GLY 21 -11.500 5.270 5.270 145 1HA GLY 21 HA2 GLY 21 -9.776 6.871 6.871 146 2HA GLY 21 HA1 GLY 21 -9.286 6.693 6.693 147 H ASP 22 HN ASP 22 -12.028 7.807 7.807 148 HA ASP 22 HA ASP 22 -12.265 10.123 10.123 149 1HB ASP 22 HB2 ASP 22 -14.831 8.993 8.993 150 2HB ASP 22 HB1 ASP 22 -13.996 8.061 8.061 151 H VAL 23 HN VAL 23 -11.685 11.681 11.681 152 HA VAL 23 HA VAL 23 -12.004 11.715 11.715 153 HB VAL 23 HB VAL 23 -12.055 14.316 14.316 154 1HG1 VAL 23 HG22 VAL 23 -10.061 12.397 12.397 155 2HG1 VAL 23 HG21 VAL 23 -9.517 13.426 13.426 156 3HG1 VAL 23 HG23 VAL 23 -9.897 14.136 14.136 157 1HG2 VAL 23 HG13 VAL 23 -12.689 13.971 13.971 158 2HG2 VAL 23 HG12 VAL 23 -11.363 15.089 15.089 159 3HG2 VAL 23 HG11 VAL 23 -11.021 13.457 13.457 160 H GLN 24 HN GLN 24 -14.351 12.251 12.251 161 HA GLN 24 HA GLN 24 -16.212 13.728 13.728 162 1HB GLN 24 HB2 GLN 24 -16.773 12.082 12.082 163 2HB GLN 24 HB1 GLN 24 -17.775 13.367 13.367 164 1HG GLN 24 HG2 GLN 24 -15.669 14.840 14.840 165 2HG GLN 24 HG1 GLN 24 -15.188 13.551 13.551 166 1HE2 GLN 24 HE22 GLN 24 -18.380 14.171 14.171 167 2HE2 GLN 24 HE21 GLN 24 -17.824 12.884 12.884 168 H GLU 25 HN GLU 25 -16.066 10.334 10.334 169 HA GLU 25 HA GLU 25 -18.340 9.518 9.518 170 1HB GLU 25 HB1 GLU 25 -16.053 7.828 7.828 171 2HB GLU 25 HB2 GLU 25 -17.636 7.242 7.242 172 1HG GLU 25 HG1 GLU 25 -16.967 8.950 8.950 173 2HG GLU 25 HG2 GLU 25 -17.590 7.300 7.300 174 H VAL 26 HN VAL 26 -14.854 9.307 9.307 175 HA VAL 26 HA VAL 26 -14.880 7.822 7.822 176 HB VAL 26 HB VAL 26 -12.820 8.550 8.550 177 1HG1 VAL 26 HG12 VAL 26 -13.586 10.937 10.937 178 2HG1 VAL 26 HG11 VAL 26 -13.145 11.166 11.166 179 3HG1 VAL 26 HG13 VAL 26 -11.912 10.722 10.722 180 1HG2 VAL 26 HG22 VAL 26 -13.201 8.741 8.741 181 2HG2 VAL 26 HG21 VAL 26 -12.191 7.647 7.647 182 3HG2 VAL 26 HG23 VAL 26 -11.660 9.303 9.303 183 H ARG 27 HN ARG 27 -15.130 11.362 11.362 184 HA ARG 27 HA ARG 27 -15.471 11.811 11.811 185 1HB ARG 27 HB2 ARG 27 -16.210 13.576 13.576 186 2HB ARG 27 HB1 ARG 27 -16.120 14.091 14.091 187 1HG ARG 27 HG2 ARG 27 -13.783 13.860 13.860 188 2HG ARG 27 HG1 ARG 27 -13.759 12.928 12.928 189 1HD ARG 27 HD2 ARG 27 -14.313 14.835 14.835 190 2HD ARG 27 HD1 ARG 27 -14.691 15.784 15.784 191 HE ARG 27 HE ARG 27 -12.060 15.212 15.212 192 1HH1 ARG 27 HH11 ARG 27 -13.940 16.389 16.389 193 2HH1 ARG 27 HH12 ARG 27 -12.628 17.281 17.281 194 1HH2 ARG 27 HH21 ARG 27 -10.325 16.384 16.384 195 2HH2 ARG 27 HH22 ARG 27 -10.574 17.281 17.281 196 H ARG 28 HN ARG 28 -17.774 11.939 11.939 197 HA ARG 28 HA ARG 28 -20.067 12.345 12.345 198 1HB ARG 28 HB1 ARG 28 -19.743 11.093 11.093 199 2HB ARG 28 HB2 ARG 28 -21.299 11.486 11.486 200 1HG ARG 28 HG1 ARG 28 -20.060 13.862 13.862 201 2HG ARG 28 HG2 ARG 28 -19.272 13.242 13.242 202 1HD ARG 28 HD2 ARG 28 -22.205 12.947 12.947 203 2HD ARG 28 HD1 ARG 28 -21.593 14.588 14.588 204 HE ARG 28 HE ARG 28 -20.330 13.643 13.643 205 1HH1 ARG 28 HH21 ARG 28 -23.371 12.342 12.342 206 2HH1 ARG 28 HH22 ARG 28 -23.810 11.727 11.727 207 1HH2 ARG 28 HH11 ARG 28 -20.900 12.812 12.812 208 2HH2 ARG 28 HH12 ARG 28 -22.412 11.997 11.997 209 H LEU 29 HN LEU 29 -18.214 9.505 9.505 210 HA LEU 29 HA LEU 29 -20.263 7.609 7.609 211 1HB LEU 29 HB2 LEU 29 -17.290 7.490 7.490 212 2HB LEU 29 HB1 LEU 29 -18.137 6.128 6.128 213 HG LEU 29 HG LEU 29 -17.743 6.729 6.729 214 1HD1 LEU 29 HD22 LEU 29 -18.754 4.572 4.572 215 2HD1 LEU 29 HD21 LEU 29 -19.415 4.581 4.581 216 3HD1 LEU 29 HD23 LEU 29 -17.670 4.516 4.516 217 1HD2 LEU 29 HD12 LEU 29 -19.780 8.092 8.092 218 2HD2 LEU 29 HD11 LEU 29 -20.002 6.652 6.652 219 3HD2 LEU 29 HD13 LEU 29 -20.664 6.706 6.706 220 H LEU 30 HN LEU 30 -17.247 8.184 8.184 221 HA LEU 30 HA LEU 30 -18.372 7.167 7.167 222 1HB LEU 30 HB2 LEU 30 -15.792 8.645 8.645 223 2HB LEU 30 HB1 LEU 30 -16.220 7.882 7.882 224 HG LEU 30 HG LEU 30 -15.469 6.611 6.611 225 1HD1 LEU 30 HD12 LEU 30 -14.024 7.121 7.121 226 2HD1 LEU 30 HD11 LEU 30 -14.683 5.550 5.550 227 3HD1 LEU 30 HD13 LEU 30 -13.746 5.717 5.717 228 1HD2 LEU 30 HD21 LEU 30 -17.373 5.565 5.565 229 2HD2 LEU 30 HD23 LEU 30 -17.320 5.311 5.311 230 3HD2 LEU 30 HD22 LEU 30 -16.198 4.448 4.448 231 H HIS 31 HN HIS 31 -17.530 10.418 10.418 232 HA HIS 31 HA HIS 31 -18.256 11.714 11.714 233 1HB HIS 31 HB1 HIS 31 -16.926 12.454 12.454 234 2HB HIS 31 HB2 HIS 31 -18.417 13.388 13.388 235 HD2 HIS 31 HD2 HIS 31 -15.051 13.351 13.351 236 HE1 HIS 31 HE1 HIS 31 -17.446 16.360 16.360 237 HE2 HIS 31 HE2 HIS 31 -15.160 15.262 15.262 238 H ARG 32 HN ARG 32 -20.171 10.160 10.160 239 HA ARG 32 HA ARG 32 -22.521 11.612 11.612 240 1HB ARG 32 HB1 ARG 32 -21.514 12.202 12.202 241 2HB ARG 32 HB2 ARG 32 -22.698 10.959 10.959 242 1HG ARG 32 HG2 ARG 32 -23.900 12.767 12.767 243 2HG ARG 32 HG1 ARG 32 -23.124 13.698 13.698 244 1HD ARG 32 HD2 ARG 32 -24.514 12.918 12.918 245 2HD ARG 32 HD1 ARG 32 -24.650 11.325 11.325 246 HE ARG 32 HE ARG 32 -25.990 13.082 13.082 247 1HH1 ARG 32 HH21 ARG 32 -26.235 11.976 11.976 248 2HH1 ARG 32 HH22 ARG 32 -27.954 12.176 12.176 249 1HH2 ARG 32 HH11 ARG 32 -28.255 13.349 13.349 250 2HH2 ARG 32 HH12 ARG 32 -29.103 12.960 12.960 251 H GLU 33 HN GLU 33 -22.028 9.238 9.238 252 HA GLU 33 HA GLU 33 -24.172 7.627 7.627 253 1HB GLU 33 HB2 GLU 33 -22.500 7.504 7.504 254 2HB GLU 33 HB1 GLU 33 -21.518 6.500 6.500 255 1HG GLU 33 HG1 GLU 33 -24.070 5.389 5.389 256 2HG GLU 33 HG2 GLU 33 -23.813 5.801 5.801 257 H LEU 34 HN LEU 34 -21.256 7.899 7.899 258 HA LEU 34 HA LEU 34 -20.493 6.881 6.881 259 1HB LEU 34 HB1 LEU 34 -23.454 6.651 6.651 260 2HB LEU 34 HB2 LEU 34 -22.490 5.733 5.733 261 HG LEU 34 HG LEU 34 -22.170 8.707 8.707 262 1HD1 LEU 34 HD11 LEU 34 -24.484 7.687 7.687 263 2HD1 LEU 34 HD13 LEU 34 -23.591 7.640 7.640 264 3HD1 LEU 34 HD12 LEU 34 -23.794 9.169 9.169 265 1HD2 LEU 34 HD21 LEU 34 -21.268 6.749 6.749 266 2HD2 LEU 34 HD23 LEU 34 -20.265 7.731 7.731 267 3HD2 LEU 34 HD22 LEU 34 -21.210 8.498 8.498 268 H VAL 35 HN VAL 35 -20.318 5.385 5.385 269 HA VAL 35 HA VAL 35 -21.192 2.714 2.714 270 HB VAL 35 HB VAL 35 -18.697 3.319 3.319 271 1HG1 VAL 35 HG12 VAL 35 -21.129 1.600 1.600 272 2HG1 VAL 35 HG11 VAL 35 -19.863 1.831 1.831 273 3HG1 VAL 35 HG13 VAL 35 -19.480 1.074 1.074 274 1HG2 VAL 35 HG21 VAL 35 -21.328 4.592 4.592 275 2HG2 VAL 35 HG23 VAL 35 -19.710 5.149 5.149 276 3HG2 VAL 35 HG22 VAL 35 -20.521 3.941 3.941 277 H HIS 36 HN HIS 36 -20.221 0.925 0.925 278 HA HIS 36 HA HIS 36 -18.464 1.215 1.215 279 1HB HIS 36 HB1 HIS 36 -20.086 -0.774 -0.774 280 2HB HIS 36 HB2 HIS 36 -18.509 -1.427 -1.427 281 HD2 HIS 36 HD2 HIS 36 -19.964 0.190 0.190 282 HE1 HIS 36 HE1 HIS 36 -17.594 -3.194 -3.194 283 HE2 HIS 36 HE2 HIS 36 -19.175 -1.447 -1.447 284 HA PRO 37 HA PRO 37 -14.500 1.503 1.503 285 1HB PRO 37 HB1 PRO 37 -12.984 0.486 0.486 286 2HB PRO 37 HB2 PRO 37 -13.622 2.134 2.134 287 1HG PRO 37 HG2 PRO 37 -14.686 -0.293 -0.293 288 2HG PRO 37 HG1 PRO 37 -14.558 1.374 1.374 289 1HD PRO 37 HD2 PRO 37 -16.887 0.354 0.354 290 2HD PRO 37 HD1 PRO 37 -16.454 2.058 2.058 291 H ASP 38 HN ASP 38 -15.849 -1.461 -1.461 292 HA ASP 38 HA ASP 38 -13.746 -3.101 -3.101 293 1HB ASP 38 HB2 ASP 38 -15.950 -4.720 -4.720 294 2HB ASP 38 HB1 ASP 38 -15.848 -3.482 -3.482 295 H ALA 39 HN ALA 39 -17.234 -3.626 -3.626 296 HA ALA 39 HA ALA 39 -18.420 -4.420 -4.420 297 1HB ALA 39 HB3 ALA 39 -17.715 -1.721 -1.721 298 2HB ALA 39 HB2 ALA 39 -17.511 -2.438 -2.438 299 3HB ALA 39 HB1 ALA 39 -19.061 -2.564 -2.564 300 H LEU 40 HN LEU 40 -17.537 -6.365 -6.365 301 HA LEU 40 HA LEU 40 -15.216 -6.416 -6.416 302 1HB LEU 40 HB1 LEU 40 -16.727 -8.431 -8.431 303 2HB LEU 40 HB2 LEU 40 -15.845 -8.990 -8.990 304 HG LEU 40 HG LEU 40 -13.768 -8.416 -8.416 305 1HD1 LEU 40 HD22 LEU 40 -15.288 -6.728 -6.728 306 2HD1 LEU 40 HD21 LEU 40 -13.560 -7.063 -7.063 307 3HD1 LEU 40 HD23 LEU 40 -14.202 -6.173 -6.173 308 1HD2 LEU 40 HD13 LEU 40 -15.616 -9.484 -9.484 309 2HD2 LEU 40 HD12 LEU 40 -14.472 -10.363 -10.363 310 3HD2 LEU 40 HD11 LEU 40 -13.883 -9.314 -9.314 311 H ASN 41 HN ASN 41 -15.285 -6.753 -6.753 312 HA ASN 41 HA ASN 41 -17.731 -6.568 -6.568 313 1HB ASN 41 HB1 ASN 41 -16.234 -7.208 -7.208 314 2HB ASN 41 HB2 ASN 41 -15.864 -5.715 -5.715 315 1HD2 ASN 41 HD22 ASN 41 -12.602 -6.648 -6.648 316 2HD2 ASN 41 HD21 ASN 41 -13.784 -5.421 -5.421 317 H ARG 42 HN ARG 42 -18.286 -8.195 -8.195 318 HA ARG 42 HA ARG 42 -19.313 -10.489 -10.489 319 1HB ARG 42 HB2 ARG 42 -19.055 -9.386 -9.386 320 2HB ARG 42 HB1 ARG 42 -18.346 -10.989 -10.989 321 1HG ARG 42 HG2 ARG 42 -20.742 -11.273 -11.273 322 2HG ARG 42 HG1 ARG 42 -21.091 -10.240 -10.240 323 1HD ARG 42 HD1 ARG 42 -19.546 -12.791 -12.791 324 2HD ARG 42 HD2 ARG 42 -21.309 -12.789 -12.789 325 HE ARG 42 HE ARG 42 -20.178 -10.924 -10.924 326 1HH1 ARG 42 HH21 ARG 42 -21.177 -14.220 -14.220 327 2HH1 ARG 42 HH22 ARG 42 -21.440 -14.537 -14.537 328 1HH2 ARG 42 HH11 ARG 42 -20.518 -11.328 -11.328 329 2HH2 ARG 42 HH12 ARG 42 -21.064 -12.892 -12.892 330 H PHE 43 HN PHE 43 -16.048 -10.044 -10.044 331 HA PHE 43 HA PHE 43 -15.253 -12.745 -12.745 332 1HB PHE 43 HB1 PHE 43 -14.064 -10.820 -10.820 333 2HB PHE 43 HB2 PHE 43 -13.435 -10.374 -10.374 334 HD1 PHE 43 HD1 PHE 43 -13.909 -13.791 -13.791 335 HD2 PHE 43 HD2 PHE 43 -11.145 -10.744 -10.744 336 HE1 PHE 43 HE1 PHE 43 -12.045 -15.377 -15.377 337 HE2 PHE 43 HE2 PHE 43 -9.277 -12.324 -12.324 338 HZ PHE 43 HZ PHE 43 -9.726 -14.644 -14.644 339 H GLY 44 HN GLY 44 -14.859 -10.132 -10.132 340 1HA GLY 44 HA1 GLY 44 -15.289 -10.787 -10.787 341 2HA GLY 44 HA2 GLY 44 -14.324 -12.220 -12.220 342 H LYS 45 HN LYS 45 -13.427 -9.097 -9.097 343 HA LYS 45 HA LYS 45 -11.024 -9.172 -9.172 344 1HB LYS 45 HB2 LYS 45 -11.604 -8.353 -8.353 345 2HB LYS 45 HB1 LYS 45 -10.766 -7.084 -7.084 346 1HG LYS 45 HG1 LYS 45 -8.865 -8.338 -8.338 347 2HG LYS 45 HG2 LYS 45 -9.727 -9.872 -9.872 348 1HD LYS 45 HD2 LYS 45 -9.557 -9.909 -9.909 349 2HD LYS 45 HD1 LYS 45 -9.823 -8.170 -8.170 350 1HE LYS 45 HE2 LYS 45 -7.585 -8.760 -8.760 351 2HE LYS 45 HE1 LYS 45 -7.515 -7.760 -7.760 352 1HZ LYS 45 HZ2 LYS 45 -7.458 -10.694 -10.694 353 2HZ LYS 45 HZ1 LYS 45 -6.045 -9.853 -9.853 354 3HZ LYS 45 HZ3 LYS 45 -6.847 -9.527 -9.527 355 H THR 46 HN THR 46 -10.217 -7.195 -7.195 356 HA THR 46 HA THR 46 -12.362 -5.646 -5.646 357 HB THR 46 HB THR 46 -10.235 -4.555 -4.555 358 HG1 THR 46 HG1 THR 46 -9.155 -7.086 -7.086 359 1HG2 THR 46 HG21 THR 46 -11.214 -7.336 -7.336 360 2HG2 THR 46 HG23 THR 46 -10.147 -6.413 -6.413 361 3HG2 THR 46 HG22 THR 46 -11.775 -5.826 -5.826 362 H ALA 47 HN ALA 47 -12.500 -3.373 -3.373 363 HA ALA 47 HA ALA 47 -12.083 -2.184 -2.184 364 1HB ALA 47 HB3 ALA 47 -13.761 -1.568 -1.568 365 2HB ALA 47 HB2 ALA 47 -12.453 -0.580 -0.580 366 3HB ALA 47 HB1 ALA 47 -13.070 -0.269 -0.269 367 H LEU 48 HN LEU 48 -10.194 -2.130 -2.130 368 HA LEU 48 HA LEU 48 -8.414 -0.064 -0.064 369 1HB LEU 48 HB1 LEU 48 -8.927 -1.093 -1.093 370 2HB LEU 48 HB2 LEU 48 -7.599 -2.161 -2.161 371 HG LEU 48 HG LEU 48 -6.202 -0.092 -0.092 372 1HD1 LEU 48 HD23 LEU 48 -8.501 1.267 1.267 373 2HD1 LEU 48 HD22 LEU 48 -8.062 1.457 1.457 374 3HD1 LEU 48 HD21 LEU 48 -6.956 1.997 1.997 375 1HD2 LEU 48 HD12 LEU 48 -7.305 -0.607 -0.607 376 2HD2 LEU 48 HD11 LEU 48 -5.914 -1.390 -1.390 377 3HD2 LEU 48 HD13 LEU 48 -5.848 0.324 0.324 378 H GLN 49 HN GLN 49 -8.254 -3.605 -3.605 379 HA GLN 49 HA GLN 49 -5.620 -3.728 -3.728 380 1HB GLN 49 HB2 GLN 49 -7.320 -5.547 -5.547 381 2HB GLN 49 HB1 GLN 49 -7.419 -5.985 -5.985 382 1HG GLN 49 HG1 GLN 49 -4.684 -5.569 -5.569 383 2HG GLN 49 HG2 GLN 49 -5.440 -6.692 -6.692 384 1HE2 GLN 49 HE22 GLN 49 -4.279 -8.963 -8.963 385 2HE2 GLN 49 HE21 GLN 49 -3.795 -8.107 -8.107 386 H VAL 50 HN VAL 50 -8.443 -2.677 -2.677 387 HA VAL 50 HA VAL 50 -7.453 -3.310 -3.310 388 HB VAL 50 HB VAL 50 -9.842 -3.188 -3.188 389 1HG1 VAL 50 HG13 VAL 50 -8.613 -5.319 -5.319 390 2HG1 VAL 50 HG12 VAL 50 -10.355 -5.460 -5.460 391 3HG1 VAL 50 HG11 VAL 50 -9.281 -5.369 -5.369 392 1HG2 VAL 50 HG23 VAL 50 -10.207 -2.566 -2.566 393 2HG2 VAL 50 HG22 VAL 50 -11.320 -2.367 -2.367 394 3HG2 VAL 50 HG21 VAL 50 -11.221 -3.915 -3.915 395 H MET 51 HN MET 51 -8.444 -0.901 -0.901 396 HA MET 51 HA MET 51 -9.432 1.117 1.117 397 1HB MET 51 HB1 MET 51 -9.237 2.397 2.397 398 2HB MET 51 HB2 MET 51 -8.719 0.913 0.913 399 1HG MET 51 HG2 MET 51 -6.927 3.036 3.036 400 2HG MET 51 HG1 MET 51 -7.245 2.752 2.752 401 1HE MET 51 HE3 MET 51 -4.877 2.614 2.614 402 2HE MET 51 HE2 MET 51 -5.699 1.254 1.254 403 3HE MET 51 HE1 MET 51 -4.095 1.034 1.034 404 H MET 52 HN MET 52 -8.501 2.932 2.932 405 HA MET 52 HA MET 52 -5.944 2.331 2.331 406 1HB MET 52 HB2 MET 52 -6.938 3.179 3.179 407 2HB MET 52 HB1 MET 52 -8.376 3.508 3.508 408 1HG MET 52 HG1 MET 52 -7.970 5.576 5.576 409 2HG MET 52 HG2 MET 52 -7.047 5.677 5.677 410 1HE MET 52 HE1 MET 52 -7.387 6.528 6.528 411 2HE MET 52 HE3 MET 52 -5.995 7.605 7.605 412 3HE MET 52 HE2 MET 52 -5.954 6.227 6.227 413 H PHE 53 HN PHE 53 -4.101 3.397 3.397 414 HA PHE 53 HA PHE 53 -4.153 5.338 5.338 415 1HB PHE 53 HB2 PHE 53 -1.803 4.166 4.166 416 2HB PHE 53 HB1 PHE 53 -1.698 5.161 5.161 417 HD1 PHE 53 HD2 PHE 53 -3.298 2.008 2.008 418 HD2 PHE 53 HD1 PHE 53 -1.505 4.116 4.116 419 HE1 PHE 53 HE2 PHE 53 -3.453 -0.016 -0.016 420 HE2 PHE 53 HE1 PHE 53 -1.659 2.090 2.090 421 HZ PHE 53 HZ PHE 53 -2.633 0.023 0.023 422 H GLY 54 HN GLY 54 -5.363 6.314 6.314 423 1HA GLY 54 HA2 GLY 54 -3.422 8.056 8.056 424 2HA GLY 54 HA1 GLY 54 -5.127 7.917 7.917 425 H SER 55 HN SER 55 -6.163 8.289 8.289 426 HA SER 55 HA SER 55 -5.477 11.117 11.117 427 1HB SER 55 HB2 SER 55 -7.668 11.265 11.265 428 2HB SER 55 HB1 SER 55 -8.095 9.678 9.678 429 HG SER 55 HG SER 55 -9.000 10.938 10.938 430 HA PRO 56 HA PRO 56 -4.247 9.836 9.836 431 1HB PRO 56 HB2 PRO 56 -4.233 12.280 12.280 432 2HB PRO 56 HB1 PRO 56 -2.973 11.746 11.746 433 1HG PRO 56 HG2 PRO 56 -5.345 13.501 13.501 434 2HG PRO 56 HG1 PRO 56 -3.671 13.691 13.691 435 1HD PRO 56 HD1 PRO 56 -5.624 12.701 12.701 436 2HD PRO 56 HD2 PRO 56 -3.936 12.166 12.166 437 H ALA 57 HN ALA 57 -7.043 11.946 11.946 438 HA ALA 57 HA ALA 57 -8.142 11.677 11.677 439 1HB ALA 57 HB2 ALA 57 -8.854 12.939 12.939 440 2HB ALA 57 HB1 ALA 57 -10.232 11.967 11.967 441 3HB ALA 57 HB3 ALA 57 -9.550 13.180 13.180 442 H VAL 58 HN VAL 58 -8.169 9.608 9.608 443 HA VAL 58 HA VAL 58 -10.376 7.998 7.998 444 HB VAL 58 HB VAL 58 -7.958 7.681 7.681 445 1HG1 VAL 58 HG11 VAL 58 -9.558 5.471 5.471 446 2HG1 VAL 58 HG13 VAL 58 -9.266 5.427 5.427 447 3HG1 VAL 58 HG12 VAL 58 -7.907 5.486 5.486 448 1HG2 VAL 58 HG22 VAL 58 -10.926 7.805 7.805 449 2HG2 VAL 58 HG21 VAL 58 -9.671 8.840 8.840 450 3HG2 VAL 58 HG23 VAL 58 -9.866 7.189 7.189 451 H ALA 59 HN ALA 59 -6.903 7.579 7.579 452 HA ALA 59 HA ALA 59 -7.133 5.185 5.185 453 1HB ALA 59 HB2 ALA 59 -5.024 7.315 7.315 454 2HB ALA 59 HB1 ALA 59 -4.863 5.926 5.926 455 3HB ALA 59 HB3 ALA 59 -4.995 5.681 5.681 456 H LEU 60 HN LEU 60 -6.837 8.556 8.556 457 HA LEU 60 HA LEU 60 -7.011 8.012 8.012 458 1HB LEU 60 HB2 LEU 60 -6.163 10.124 10.124 459 2HB LEU 60 HB1 LEU 60 -7.753 10.510 10.510 460 HG LEU 60 HG LEU 60 -7.476 10.016 10.016 461 1HD1 LEU 60 HD11 LEU 60 -5.610 11.504 11.504 462 2HD1 LEU 60 HD13 LEU 60 -6.705 12.593 12.593 463 3HD1 LEU 60 HD12 LEU 60 -6.878 12.351 12.351 464 1HD2 LEU 60 HD21 LEU 60 -9.158 11.860 11.860 465 2HD2 LEU 60 HD23 LEU 60 -9.680 10.357 10.357 466 3HD2 LEU 60 HD22 LEU 60 -9.233 11.740 11.740 467 H GLU 61 HN GLU 61 -9.476 8.662 8.662 468 HA GLU 61 HA GLU 61 -11.660 8.983 8.983 469 1HB GLU 61 HB2 GLU 61 -11.332 8.331 8.331 470 2HB GLU 61 HB1 GLU 61 -12.903 8.039 8.039 471 1HG GLU 61 HG2 GLU 61 -13.398 10.168 10.168 472 2HG GLU 61 HG1 GLU 61 -12.122 10.598 10.598 473 H LEU 62 HN LEU 62 -10.679 6.102 6.102 474 HA LEU 62 HA LEU 62 -12.571 4.371 4.371 475 1HB LEU 62 HB1 LEU 62 -9.965 3.927 3.927 476 2HB LEU 62 HB2 LEU 62 -10.875 2.579 2.579 477 HG LEU 62 HG LEU 62 -12.827 3.766 3.766 478 1HD1 LEU 62 HD23 LEU 62 -10.250 4.518 4.518 479 2HD1 LEU 62 HD22 LEU 62 -11.786 4.406 4.406 480 3HD1 LEU 62 HD21 LEU 62 -11.592 5.568 5.568 481 1HD2 LEU 62 HD13 LEU 62 -11.108 1.516 1.516 482 2HD2 LEU 62 HD12 LEU 62 -12.759 1.730 1.730 483 3HD2 LEU 62 HD11 LEU 62 -11.397 2.218 2.218 484 H LEU 63 HN LEU 63 -9.158 4.942 4.942 485 HA LEU 63 HA LEU 63 -9.002 3.046 3.046 486 1HB LEU 63 HB2 LEU 63 -7.405 5.379 5.379 487 2HB LEU 63 HB1 LEU 63 -7.166 4.851 4.851 488 HG LEU 63 HG LEU 63 -7.088 2.571 2.571 489 1HD1 LEU 63 HD21 LEU 63 -5.520 4.965 4.965 490 2HD1 LEU 63 HD23 LEU 63 -4.853 3.347 3.347 491 3HD1 LEU 63 HD22 LEU 63 -6.377 3.778 3.778 492 1HD2 LEU 63 HD11 LEU 63 -5.796 3.602 3.602 493 2HD2 LEU 63 HD13 LEU 63 -5.633 1.996 1.996 494 3HD2 LEU 63 HD12 LEU 63 -4.545 3.293 3.293 495 H LYS 64 HN LYS 64 -9.902 6.461 6.461 496 HA LYS 64 HA LYS 64 -10.031 6.812 6.812 497 1HB LYS 64 HB1 LYS 64 -11.149 8.210 8.210 498 2HB LYS 64 HB2 LYS 64 -11.811 8.605 8.605 499 1HG LYS 64 HG1 LYS 64 -8.927 8.584 8.584 500 2HG LYS 64 HG2 LYS 64 -9.545 9.682 9.682 501 1HD LYS 64 HD1 LYS 64 -10.542 11.059 11.059 502 2HD LYS 64 HD2 LYS 64 -10.829 9.754 9.754 503 1HE LYS 64 HE2 LYS 64 -8.001 10.227 10.227 504 2HE LYS 64 HE1 LYS 64 -8.835 11.680 11.680 505 1HZ LYS 64 HZ2 LYS 64 -9.387 9.157 9.157 506 2HZ LYS 64 HZ1 LYS 64 -7.910 9.922 9.922 507 3HZ LYS 64 HZ3 LYS 64 -9.363 10.736 10.736 508 H GLN 65 HN GLN 65 -12.302 5.498 5.498 509 HA GLN 65 HA GLN 65 -14.580 5.530 5.530 510 1HB GLN 65 HB1 GLN 65 -13.876 4.529 4.529 511 2HB GLN 65 HB2 GLN 65 -14.945 3.431 3.431 512 1HG GLN 65 HG2 GLN 65 -15.432 6.282 6.282 513 2HG GLN 65 HG1 GLN 65 -16.359 4.846 4.846 514 1HE2 GLN 65 HE22 GLN 65 -17.775 6.989 6.989 515 2HE2 GLN 65 HE21 GLN 65 -16.897 7.485 7.485 516 H GLY 66 HN GLY 66 -12.463 2.833 2.833 517 1HA GLY 66 HA2 GLY 66 -11.983 1.693 1.693 518 2HA GLY 66 HA1 GLY 66 -13.572 1.082 1.082 519 H ALA 67 HN ALA 67 -10.934 1.769 1.769 520 HA ALA 67 HA ALA 67 -11.012 -1.029 -1.029 521 1HB ALA 67 HB1 ALA 67 -9.845 1.420 1.420 522 2HB ALA 67 HB3 ALA 67 -9.747 -0.211 -0.211 523 3HB ALA 67 HB2 ALA 67 -11.317 0.565 0.565 524 H SER 68 HN SER 68 -9.662 -2.273 -2.273 525 HA SER 68 HA SER 68 -7.314 -1.385 -1.385 526 1HB SER 68 HB1 SER 68 -8.271 -4.148 -4.148 527 2HB SER 68 HB2 SER 68 -6.795 -3.866 -3.866 528 HG SER 68 HG SER 68 -9.404 -3.761 -3.761 529 HA PRO 69 HA PRO 69 -4.706 -1.055 -1.055 530 1HB PRO 69 HB1 PRO 69 -2.388 -0.626 -0.626 531 2HB PRO 69 HB2 PRO 69 -3.569 0.636 0.636 532 1HG PRO 69 HG1 PRO 69 -3.203 -0.943 -0.943 533 2HG PRO 69 HG2 PRO 69 -3.542 0.786 0.786 534 1HD PRO 69 HD1 PRO 69 -5.470 -0.968 -0.968 535 2HD PRO 69 HD2 PRO 69 -5.796 0.428 0.428 536 H ASN 70 HN ASN 70 -4.500 -3.329 -3.329 537 HA ASN 70 HA ASN 70 -2.381 -4.854 -4.854 538 1HB ASN 70 HB1 ASN 70 -3.732 -5.039 -5.039 539 2HB ASN 70 HB2 ASN 70 -2.780 -6.383 -6.383 540 1HD2 ASN 70 HD22 ASN 70 -1.002 -3.036 -3.036 541 2HD2 ASN 70 HD21 ASN 70 -2.714 -3.142 -3.142 542 H VAL 71 HN VAL 71 -3.359 -5.693 -5.693 543 HA VAL 71 HA VAL 71 -5.197 -7.897 -7.897 544 HB VAL 71 HB VAL 71 -6.753 -7.236 -7.236 545 1HG1 VAL 71 HG23 VAL 71 -7.132 -6.543 -6.543 546 2HG1 VAL 71 HG22 VAL 71 -6.428 -4.976 -4.976 547 3HG1 VAL 71 HG21 VAL 71 -7.915 -5.500 -5.500 548 1HG2 VAL 71 HG12 VAL 71 -4.918 -5.810 -5.810 549 2HG2 VAL 71 HG11 VAL 71 -6.604 -5.305 -5.305 550 3HG2 VAL 71 HG13 VAL 71 -5.521 -4.515 -4.515 551 H GLN 72 HN GLN 72 -5.395 -9.345 -9.345 552 HA GLN 72 HA GLN 72 -3.511 -9.000 -9.000 553 1HB GLN 72 HB1 GLN 72 -3.231 -11.208 -11.208 554 2HB GLN 72 HB2 GLN 72 -2.472 -11.253 -11.253 555 1HG GLN 72 HG1 GLN 72 -0.749 -10.413 -10.413 556 2HG GLN 72 HG2 GLN 72 -1.550 -8.901 -8.901 557 1HE2 GLN 72 HE22 GLN 72 -0.866 -8.575 -8.575 558 2HE2 GLN 72 HE21 GLN 72 -0.032 -8.561 -8.561 559 H ASP 73 HN ASP 73 -3.493 -11.401 -11.401 560 HA ASP 73 HA ASP 73 -6.252 -12.377 -12.377 561 1HB ASP 73 HB1 ASP 73 -5.030 -12.108 -12.108 562 2HB ASP 73 HB2 ASP 73 -5.343 -10.567 -10.567 563 H ALA 74 HN ALA 74 -5.189 -14.162 -14.162 564 HA ALA 74 HA ALA 74 -3.938 -16.101 -16.101 565 1HB ALA 74 HB1 ALA 74 -5.523 -16.413 -16.413 566 2HB ALA 74 HB3 ALA 74 -4.706 -17.738 -17.738 567 3HB ALA 74 HB2 ALA 74 -6.014 -16.870 -16.870 568 H SER 75 HN SER 75 -2.006 -14.567 -14.567 569 HA SER 75 HA SER 75 -0.252 -15.996 -15.996 570 1HB SER 75 HB2 SER 75 0.175 -13.894 -13.894 571 2HB SER 75 HB1 SER 75 -1.121 -15.019 -15.019 572 HG SER 75 HG SER 75 -1.671 -12.712 -12.712 573 H GLY 76 HN GLY 76 -0.615 -12.538 -12.538 574 1HA GLY 76 HA2 GLY 76 0.701 -12.027 -12.027 575 2HA GLY 76 HA1 GLY 76 2.053 -12.656 -12.656 576 H THR 77 HN THR 77 -0.589 -10.645 -10.645 577 HA THR 77 HA THR 77 1.331 -8.445 -8.445 578 HB THR 77 HB THR 77 -0.660 -9.531 -9.531 579 HG1 THR 77 HG1 THR 77 1.075 -10.490 -10.490 580 1HG2 THR 77 HG23 THR 77 0.942 -6.992 -6.992 581 2HG2 THR 77 HG22 THR 77 0.103 -7.754 -7.754 582 3HG2 THR 77 HG21 THR 77 -0.814 -7.138 -7.138 583 H SER 78 HN SER 78 0.595 -6.427 -6.427 584 HA SER 78 HA SER 78 -2.255 -6.156 -6.156 585 1HB SER 78 HB2 SER 78 -0.649 -4.292 -4.292 586 2HB SER 78 HB1 SER 78 -1.725 -5.550 -5.550 587 HG SER 78 HG SER 78 1.035 -5.673 -5.673 588 HA PRO 79 HA PRO 79 -2.708 -2.375 -2.375 589 1HB PRO 79 HB1 PRO 79 -2.659 -0.715 -0.715 590 2HB PRO 79 HB2 PRO 79 -3.892 -0.825 -0.825 591 1HG PRO 79 HG1 PRO 79 -4.268 -1.947 -1.947 592 2HG PRO 79 HG2 PRO 79 -4.839 -2.733 -2.733 593 1HD PRO 79 HD2 PRO 79 -2.459 -3.366 -3.366 594 2HD PRO 79 HD1 PRO 79 -3.555 -4.463 -4.463 595 H VAL 80 HN VAL 80 -0.312 -2.189 -2.189 596 HA VAL 80 HA VAL 80 1.091 0.047 0.047 597 HB VAL 80 HB VAL 80 1.742 -2.128 -2.128 598 1HG1 VAL 80 HG11 VAL 80 3.613 0.054 0.054 599 2HG1 VAL 80 HG13 VAL 80 3.864 -1.012 -1.012 600 3HG1 VAL 80 HG12 VAL 80 3.826 -1.677 -1.677 601 1HG2 VAL 80 HG21 VAL 80 0.790 0.633 0.633 602 2HG2 VAL 80 HG23 VAL 80 0.615 -0.662 -0.662 603 3HG2 VAL 80 HG22 VAL 80 2.095 0.297 0.297 604 H HIS 81 HN HIS 81 1.163 -3.359 -3.359 605 HA HIS 81 HA HIS 81 3.709 -3.515 -3.515 606 1HB HIS 81 HB1 HIS 81 1.194 -5.131 -5.131 607 2HB HIS 81 HB2 HIS 81 2.526 -5.452 -5.452 608 HD2 HIS 81 HD2 HIS 81 4.496 -7.008 -7.008 609 HE1 HIS 81 HE1 HIS 81 3.217 -6.947 -6.947 610 HE2 HIS 81 HE2 HIS 81 4.963 -7.822 -7.822 611 H ASP 82 HN ASP 82 0.585 -3.539 -3.539 612 HA ASP 82 HA ASP 82 1.575 -3.023 -3.023 613 1HB ASP 82 HB2 ASP 82 -0.705 -2.215 -2.215 614 2HB ASP 82 HB1 ASP 82 -0.723 -3.725 -3.725 615 H ALA 83 HN ALA 83 0.398 -0.685 -0.685 616 HA ALA 83 HA ALA 83 0.685 1.645 1.645 617 1HB ALA 83 HB1 ALA 83 -0.205 1.184 1.184 618 2HB ALA 83 HB3 ALA 83 1.429 1.663 1.663 619 3HB ALA 83 HB2 ALA 83 0.406 2.774 2.774 620 H ALA 84 HN ALA 84 3.115 -0.456 -0.456 621 HA ALA 84 HA ALA 84 5.237 1.438 1.438 622 1HB ALA 84 HB2 ALA 84 4.895 -1.196 -1.196 623 2HB ALA 84 HB1 ALA 84 6.066 -1.286 -1.286 624 3HB ALA 84 HB3 ALA 84 6.400 -0.281 -0.281 625 H ARG 85 HN ARG 85 4.796 -1.214 -1.214 626 HA ARG 85 HA ARG 85 6.623 -0.041 -0.041 627 1HB ARG 85 HB2 ARG 85 4.635 -2.141 -2.141 628 2HB ARG 85 HB1 ARG 85 6.297 -1.933 -1.933 629 1HG ARG 85 HG2 ARG 85 6.915 -2.487 -2.487 630 2HG ARG 85 HG1 ARG 85 5.271 -3.123 -3.123 631 1HD ARG 85 HD1 ARG 85 7.525 -4.030 -4.030 632 2HD ARG 85 HD2 ARG 85 6.618 -4.963 -4.963 633 HE ARG 85 HE ARG 85 4.984 -3.976 -3.976 634 1HH1 ARG 85 HH11 ARG 85 7.148 -6.523 -6.523 635 2HH1 ARG 85 HH12 ARG 85 6.490 -7.684 -7.684 636 1HH2 ARG 85 HH21 ARG 85 4.108 -5.499 -5.499 637 2HH2 ARG 85 HH22 ARG 85 4.762 -7.102 -7.102 638 H THR 86 HN THR 86 3.116 -0.169 -0.169 639 HA THR 86 HA THR 86 2.373 0.774 0.774 640 HB THR 86 HB THR 86 0.317 1.572 1.572 641 HG1 THR 86 HG1 THR 86 1.909 1.398 1.398 642 1HG2 THR 86 HG21 THR 86 1.385 -1.086 -1.086 643 2HG2 THR 86 HG23 THR 86 0.186 -0.627 -0.627 644 3HG2 THR 86 HG22 THR 86 -0.226 -0.577 -0.577 645 H GLY 87 HN GLY 87 4.079 2.405 2.405 646 1HA GLY 87 HA2 GLY 87 4.954 4.531 4.531 647 2HA GLY 87 HA1 GLY 87 4.458 4.721 4.721 648 H PHE 88 HN PHE 88 3.030 4.559 4.559 649 HA PHE 88 HA PHE 88 1.392 6.894 6.894 650 1HB PHE 88 HB2 PHE 88 0.394 4.357 4.357 651 2HB PHE 88 HB1 PHE 88 -0.535 5.848 5.848 652 HD1 PHE 88 HD1 PHE 88 0.433 6.558 6.558 653 HD2 PHE 88 HD2 PHE 88 -1.093 2.967 2.967 654 HE1 PHE 88 HE1 PHE 88 -0.396 5.855 5.855 655 HE2 PHE 88 HE2 PHE 88 -1.924 2.257 2.257 656 HZ PHE 88 HZ PHE 88 -1.576 3.702 3.702 657 H LEU 89 HN LEU 89 3.674 7.172 7.172 658 HA LEU 89 HA LEU 89 3.696 6.812 6.812 659 1HB LEU 89 HB2 LEU 89 5.619 7.560 7.560 660 2HB LEU 89 HB1 LEU 89 4.862 9.131 9.131 661 HG LEU 89 HG LEU 89 4.925 9.255 9.255 662 1HD1 LEU 89 HD21 LEU 89 6.484 6.788 6.788 663 2HD1 LEU 89 HD23 LEU 89 7.077 7.885 7.885 664 3HD1 LEU 89 HD22 LEU 89 5.454 7.206 7.206 665 1HD2 LEU 89 HD11 LEU 89 7.113 9.585 9.585 666 2HD2 LEU 89 HD13 LEU 89 6.371 10.757 10.757 667 3HD2 LEU 89 HD12 LEU 89 7.574 9.621 9.621 668 H ASP 90 HN ASP 90 1.654 8.859 8.859 669 HA ASP 90 HA ASP 90 1.287 10.930 10.930 670 1HB ASP 90 HB2 ASP 90 -0.292 11.771 11.771 671 2HB ASP 90 HB1 ASP 90 -0.992 10.193 10.193 672 H THR 91 HN THR 91 -1.184 8.538 8.538 673 HA THR 91 HA THR 91 -2.526 8.774 8.774 674 HB THR 91 HB THR 91 -2.813 6.578 6.578 675 HG1 THR 91 HG1 THR 91 -3.494 9.221 9.221 676 1HG2 THR 91 HG21 THR 91 -4.421 7.410 7.410 677 2HG2 THR 91 HG23 THR 91 -5.283 6.932 6.932 678 3HG2 THR 91 HG22 THR 91 -4.162 5.809 5.809 679 H LEU 92 HN LEU 92 -0.141 6.585 6.585 680 HA LEU 92 HA LEU 92 -0.286 4.470 4.470 681 1HB LEU 92 HB2 LEU 92 1.165 4.284 4.284 682 2HB LEU 92 HB1 LEU 92 2.043 5.736 5.736 683 HG LEU 92 HG LEU 92 2.090 3.289 3.289 684 1HD1 LEU 92 HD13 LEU 92 2.814 2.880 2.880 685 2HD1 LEU 92 HD12 LEU 92 4.207 3.882 3.882 686 3HD1 LEU 92 HD11 LEU 92 3.904 2.392 2.392 687 1HD2 LEU 92 HD23 LEU 92 3.579 5.853 5.853 688 2HD2 LEU 92 HD22 LEU 92 3.013 4.977 4.977 689 3HD2 LEU 92 HD21 LEU 92 4.444 4.419 4.419 690 H LYS 93 HN LYS 93 1.496 7.518 7.518 691 HA LYS 93 HA LYS 93 2.763 7.024 7.024 692 1HB LYS 93 HB1 LYS 93 2.389 9.233 9.233 693 2HB LYS 93 HB2 LYS 93 1.915 9.765 9.765 694 1HG LYS 93 HG1 LYS 93 4.028 9.954 9.954 695 2HG LYS 93 HG2 LYS 93 4.357 8.280 8.280 696 1HD LYS 93 HD2 LYS 93 5.167 8.850 8.850 697 2HD LYS 93 HD1 LYS 93 4.142 10.281 10.281 698 1HE LYS 93 HE2 LYS 93 6.544 10.025 10.025 699 2HE LYS 93 HE1 LYS 93 6.540 10.828 10.828 700 1HZ LYS 93 HZ2 LYS 93 4.782 12.317 12.317 701 2HZ LYS 93 HZ1 LYS 93 5.040 11.630 11.630 702 3HZ LYS 93 HZ3 LYS 93 6.285 12.480 12.480 703 H VAL 94 HN VAL 94 -0.511 8.144 8.144 704 HA VAL 94 HA VAL 94 -1.272 9.008 9.008 705 HB VAL 94 HB VAL 94 -2.927 7.521 7.521 706 1HG1 VAL 94 HG23 VAL 94 -3.572 8.425 8.425 707 2HG1 VAL 94 HG22 VAL 94 -4.626 9.132 9.132 708 3HG1 VAL 94 HG21 VAL 94 -4.481 7.380 7.380 709 1HG2 VAL 94 HG11 VAL 94 -2.229 10.386 10.386 710 2HG2 VAL 94 HG13 VAL 94 -2.302 9.470 9.470 711 3HG2 VAL 94 HG12 VAL 94 -3.791 9.975 9.975 712 H LEU 95 HN LEU 95 -1.943 5.730 5.730 713 HA LEU 95 HA LEU 95 -2.605 4.727 4.727 714 1HB LEU 95 HB1 LEU 95 -3.093 2.718 2.718 715 2HB LEU 95 HB2 LEU 95 -3.398 3.898 3.898 716 HG LEU 95 HG LEU 95 -0.697 2.647 2.647 717 1HD1 LEU 95 HD22 LEU 95 -3.228 1.203 1.203 718 2HD1 LEU 95 HD21 LEU 95 -1.893 0.912 0.912 719 3HD1 LEU 95 HD23 LEU 95 -1.683 0.609 0.609 720 1HD2 LEU 95 HD13 LEU 95 -1.389 4.443 4.443 721 2HD2 LEU 95 HD12 LEU 95 -0.753 2.968 2.968 722 3HD2 LEU 95 HD11 LEU 95 -2.492 3.267 3.267 723 H VAL 96 HN VAL 96 0.270 4.652 4.652 724 HA VAL 96 HA VAL 96 1.710 2.772 2.772 725 HB VAL 96 HB VAL 96 2.458 4.738 4.738 726 1HG1 VAL 96 HG12 VAL 96 4.439 3.130 3.130 727 2HG1 VAL 96 HG11 VAL 96 4.802 4.019 4.019 728 3HG1 VAL 96 HG13 VAL 96 4.302 4.889 4.889 729 1HG2 VAL 96 HG21 VAL 96 1.476 2.354 2.354 730 2HG2 VAL 96 HG23 VAL 96 2.819 2.875 2.875 731 3HG2 VAL 96 HG22 VAL 96 3.119 1.826 1.826 732 H GLU 97 HN GLU 97 1.725 6.331 6.331 733 HA GLU 97 HA GLU 97 3.740 6.742 6.742 734 1HB GLU 97 HB2 GLU 97 2.976 8.988 8.988 735 2HB GLU 97 HB1 GLU 97 2.684 8.477 8.477 736 1HG GLU 97 HG2 GLU 97 0.609 8.535 8.535 737 2HG GLU 97 HG1 GLU 97 0.836 9.789 9.789 738 H HIS 98 HN HIS 98 0.326 6.045 6.045 739 HA HIS 98 HA HIS 98 0.095 6.711 6.711 740 1HB HIS 98 HB2 HIS 98 -1.499 5.304 5.304 741 2HB HIS 98 HB1 HIS 98 -1.682 4.622 4.622 742 HD2 HIS 98 HD2 HIS 98 -4.256 6.072 6.072 743 HE1 HIS 98 HE1 HIS 98 -3.048 9.366 9.366 744 HE2 HIS 98 HE2 HIS 98 -4.926 8.379 8.379 745 H GLY 99 HN GLY 99 1.079 3.741 3.741 746 1HA GLY 99 HA2 GLY 99 2.883 2.582 2.582 747 2HA GLY 99 HA1 GLY 99 1.658 2.552 2.552 748 H ALA 100 HN ALA 100 1.098 2.027 2.027 749 HA ALA 100 HA ALA 100 -0.427 -0.301 -0.301 750 1HB ALA 100 HB2 ALA 100 0.410 1.306 1.306 751 2HB ALA 100 HB1 ALA 100 0.440 -0.414 -0.414 752 3HB ALA 100 HB3 ALA 100 -1.044 0.329 0.329 753 H ASP 101 HN ASP 101 0.237 -2.296 -2.296 754 HA ASP 101 HA ASP 101 2.447 -3.519 -3.519 755 1HB ASP 101 HB2 ASP 101 1.177 -4.752 -4.752 756 2HB ASP 101 HB1 ASP 101 0.219 -4.569 -4.569 757 H VAL 102 HN VAL 102 4.045 -1.905 -1.905 758 HA VAL 102 HA VAL 102 4.887 -2.167 -2.167 759 HB VAL 102 HB VAL 102 6.628 -0.469 -0.469 760 1HG1 VAL 102 HG12 VAL 102 3.697 0.134 0.134 761 2HG1 VAL 102 HG11 VAL 102 4.933 1.392 1.392 762 3HG1 VAL 102 HG13 VAL 102 4.710 0.322 0.322 763 1HG2 VAL 102 HG21 VAL 102 6.457 -1.118 -1.118 764 2HG2 VAL 102 HG23 VAL 102 6.571 0.601 0.601 765 3HG2 VAL 102 HG22 VAL 102 5.011 -0.108 -0.108 766 H ASN 103 HN ASN 103 5.159 -4.295 -4.295 767 HA ASN 103 HA ASN 103 8.011 -4.832 -4.832 768 1HB ASN 103 HB2 ASN 103 6.522 -4.807 -4.807 769 2HB ASN 103 HB1 ASN 103 7.693 -6.103 -6.103 770 1HD2 ASN 103 HD22 ASN 103 9.938 -3.838 -3.838 771 2HD2 ASN 103 HD21 ASN 103 8.942 -5.226 -5.226 772 H ALA 104 HN ALA 104 5.034 -5.757 -5.757 773 HA ALA 104 HA ALA 104 5.268 -8.609 -8.609 774 1HB ALA 104 HB3 ALA 104 3.199 -6.770 -6.770 775 2HB ALA 104 HB2 ALA 104 3.187 -8.408 -8.408 776 3HB ALA 104 HB1 ALA 104 3.055 -8.153 -8.153 777 H LEU 105 HN LEU 105 5.286 -10.166 -10.166 778 HA LEU 105 HA LEU 105 6.431 -9.166 -9.166 779 1HB LEU 105 HB2 LEU 105 7.326 -11.769 -11.769 780 2HB LEU 105 HB1 LEU 105 8.131 -10.755 -10.755 781 HG LEU 105 HG LEU 105 7.768 -9.680 -9.680 782 1HD1 LEU 105 HD13 LEU 105 8.990 -12.180 -12.180 783 2HD1 LEU 105 HD12 LEU 105 10.281 -11.015 -11.015 784 3HD1 LEU 105 HD11 LEU 105 8.995 -11.219 -11.219 785 1HD2 LEU 105 HD23 LEU 105 9.167 -8.976 -8.976 786 2HD2 LEU 105 HD22 LEU 105 9.096 -8.114 -8.114 787 3HD2 LEU 105 HD21 LEU 105 10.353 -9.318 -9.318 788 H ASP 106 HN ASP 106 5.864 -10.267 -10.267 789 HA ASP 106 HA ASP 106 3.455 -11.837 -11.837 790 1HB ASP 106 HB2 ASP 106 3.781 -10.017 -10.017 791 2HB ASP 106 HB1 ASP 106 3.269 -11.563 -11.563 792 H SER 107 HN SER 107 3.441 -13.610 -13.610 793 HA SER 107 HA SER 107 4.564 -15.887 -15.887 794 1HB SER 107 HB2 SER 107 4.721 -16.019 -16.019 795 2HB SER 107 HB1 SER 107 3.517 -16.735 -16.735 796 HG SER 107 HG SER 107 2.190 -15.327 -15.327 797 H THR 108 HN THR 108 6.054 -13.821 -13.821 798 HA THR 108 HA THR 108 8.437 -15.280 -15.280 799 HB THR 108 HB THR 108 9.357 -13.052 -13.052 800 HG1 THR 108 HG1 THR 108 7.939 -11.679 -11.679 801 1HG2 THR 108 HG23 THR 108 7.138 -14.611 -14.611 802 2HG2 THR 108 HG22 THR 108 7.428 -13.025 -13.025 803 3HG2 THR 108 HG21 THR 108 8.722 -14.222 -14.222 804 H GLY 109 HN GLY 109 7.353 -13.036 -13.036 805 1HA GLY 109 HA2 GLY 109 8.294 -12.685 -12.685 806 2HA GLY 109 HA1 GLY 109 9.734 -13.540 -13.540 807 H SER 110 HN SER 110 9.383 -11.547 -11.547 808 HA SER 110 HA SER 110 11.494 -9.866 -9.866 809 1HB SER 110 HB2 SER 110 9.537 -8.662 -8.662 810 2HB SER 110 HB1 SER 110 11.220 -9.107 -9.107 811 HG SER 110 HG SER 110 8.997 -10.412 -10.412 812 H LEU 111 HN LEU 111 11.666 -8.306 -8.306 813 HA LEU 111 HA LEU 111 9.575 -7.273 -7.273 814 1HB LEU 111 HB1 LEU 111 12.395 -6.891 -6.891 815 2HB LEU 111 HB2 LEU 111 11.629 -5.316 -5.316 816 HG LEU 111 HG LEU 111 11.086 -7.506 -7.506 817 1HD1 LEU 111 HD13 LEU 111 13.236 -5.430 -5.430 818 2HD1 LEU 111 HD12 LEU 111 12.582 -5.985 -5.985 819 3HD1 LEU 111 HD11 LEU 111 13.344 -7.134 -7.134 820 1HD2 LEU 111 HD23 LEU 111 10.048 -4.851 -4.851 821 2HD2 LEU 111 HD22 LEU 111 9.474 -6.107 -6.107 822 3HD2 LEU 111 HD21 LEU 111 10.744 -4.997 -4.997 823 HA PRO 112 HA PRO 112 7.306 -4.590 -4.590 824 1HB PRO 112 HB2 PRO 112 7.235 -2.954 -2.954 825 2HB PRO 112 HB1 PRO 112 5.919 -3.372 -3.372 826 1HG PRO 112 HG1 PRO 112 6.211 -4.653 -4.653 827 2HG PRO 112 HG2 PRO 112 5.706 -5.517 -5.517 828 1HD PRO 112 HD1 PRO 112 8.318 -5.554 -5.554 829 2HD PRO 112 HD2 PRO 112 7.545 -6.814 -6.814 830 H ILE 113 HN ILE 113 9.898 -3.429 -3.429 831 HA ILE 113 HA ILE 113 10.227 -0.931 -0.931 832 HB ILE 113 HB ILE 113 11.011 -0.967 -0.967 833 1HG1 ILE 113 HG11 ILE 113 13.721 -1.219 -1.219 834 2HG1 ILE 113 HG12 ILE 113 12.682 -0.281 -0.281 835 1HG2 ILE 113 HG22 ILE 113 12.566 -3.425 -3.425 836 2HG2 ILE 113 HG21 ILE 113 12.812 -2.546 -2.546 837 3HG2 ILE 113 HG23 ILE 113 11.254 -3.299 -3.299 838 1HD1 ILE 113 HD13 ILE 113 12.587 0.371 0.371 839 2HD1 ILE 113 HD12 ILE 113 14.049 0.805 0.805 840 3HD1 ILE 113 HD11 ILE 113 12.485 1.425 1.425 841 H HIS 114 HN HIS 114 11.845 -4.079 -4.079 842 HA HIS 114 HA HIS 114 13.945 -3.464 -3.464 843 1HB HIS 114 HB2 HIS 114 12.304 -5.974 -5.974 844 2HB HIS 114 HB1 HIS 114 13.678 -5.890 -5.890 845 HD2 HIS 114 HD2 HIS 114 15.715 -7.105 -7.105 846 HE1 HIS 114 HE1 HIS 114 15.072 -5.528 -5.528 847 HE2 HIS 114 HE2 HIS 114 16.469 -7.121 -7.121 848 H LEU 115 HN LEU 115 10.561 -3.756 -3.756 849 HA LEU 115 HA LEU 115 10.798 -4.078 -4.078 850 1HB LEU 115 HB2 LEU 115 8.415 -2.701 -2.701 851 2HB LEU 115 HB1 LEU 115 8.520 -4.026 -4.026 852 HG LEU 115 HG LEU 115 8.757 -4.202 -4.202 853 1HD1 LEU 115 HD13 LEU 115 6.666 -4.919 -4.919 854 2HD1 LEU 115 HD12 LEU 115 6.808 -5.849 -5.849 855 3HD1 LEU 115 HD11 LEU 115 6.499 -4.114 -4.114 856 1HD2 LEU 115 HD21 LEU 115 10.077 -5.797 -5.797 857 2HD2 LEU 115 HD23 LEU 115 9.719 -6.202 -6.202 858 3HD2 LEU 115 HD22 LEU 115 8.623 -6.714 -6.714 859 H ALA 116 HN ALA 116 10.041 -1.245 -1.245 860 HA ALA 116 HA ALA 116 9.884 0.665 0.665 861 1HB ALA 116 HB2 ALA 116 9.528 0.831 0.831 862 2HB ALA 116 HB1 ALA 116 11.213 1.352 1.352 863 3HB ALA 116 HB3 ALA 116 10.011 2.256 2.256 864 H ILE 117 HN ILE 117 12.729 -0.560 -0.560 865 HA ILE 117 HA ILE 117 14.657 1.146 1.146 866 HB ILE 117 HB ILE 117 14.880 -1.730 -1.730 867 1HG1 ILE 117 HG12 ILE 117 15.998 0.679 0.679 868 2HG1 ILE 117 HG11 ILE 117 14.302 0.247 0.247 869 1HG2 ILE 117 HG22 ILE 117 16.976 0.177 0.177 870 2HG2 ILE 117 HG21 ILE 117 17.369 -1.111 -1.111 871 3HG2 ILE 117 HG23 ILE 117 16.710 -1.507 -1.507 872 1HD1 ILE 117 HD11 ILE 117 15.741 -2.116 -2.116 873 2HD1 ILE 117 HD13 ILE 117 16.614 -0.851 -0.851 874 3HD1 ILE 117 HD12 ILE 117 14.906 -1.133 -1.133 875 H ARG 118 HN ARG 118 13.348 -1.911 -1.911 876 HA ARG 118 HA ARG 118 15.070 -2.017 -2.017 877 1HB ARG 118 HB1 ARG 118 13.799 -3.883 -3.883 878 2HB ARG 118 HB2 ARG 118 13.809 -3.959 -3.959 879 1HG ARG 118 HG2 ARG 118 11.595 -3.809 -3.809 880 2HG ARG 118 HG1 ARG 118 11.551 -2.449 -2.449 881 1HD ARG 118 HD2 ARG 118 10.758 -3.788 -3.788 882 2HD ARG 118 HD1 ARG 118 12.228 -4.758 -4.758 883 HE ARG 118 HE ARG 118 10.529 -5.524 -5.524 884 1HH1 ARG 118 HH11 ARG 118 10.691 -5.642 -5.642 885 2HH1 ARG 118 HH12 ARG 118 9.742 -7.086 -7.086 886 1HH2 ARG 118 HH21 ARG 118 9.279 -7.428 -7.428 887 2HH2 ARG 118 HH22 ARG 118 8.940 -8.103 -8.103 888 H GLU 119 HN GLU 119 12.335 -0.178 -0.178 889 HA GLU 119 HA GLU 119 11.525 0.259 0.259 890 1HB GLU 119 HB2 GLU 119 10.385 0.752 0.752 891 2HB GLU 119 HB1 GLU 119 10.109 2.055 2.055 892 1HG GLU 119 HG1 GLU 119 8.255 0.729 0.729 893 2HG GLU 119 HG2 GLU 119 9.329 0.170 0.170 894 H GLY 120 HN GLY 120 12.610 2.264 2.264 895 1HA GLY 120 HA1 GLY 120 14.349 3.886 3.886 896 2HA GLY 120 HA2 GLY 120 14.023 3.982 3.982 897 H HIS 121 HN HIS 121 11.328 3.988 3.988 898 HA HIS 121 HA HIS 121 10.268 6.376 6.376 899 1HB HIS 121 HB2 HIS 121 9.780 4.950 4.950 900 2HB HIS 121 HB1 HIS 121 8.808 6.299 6.299 901 HD2 HIS 121 HD2 HIS 121 8.952 2.533 2.533 902 HE1 HIS 121 HE1 HIS 121 6.395 3.872 3.872 903 HE2 HIS 121 HE2 HIS 121 7.079 1.887 1.887 904 H SER 122 HN SER 122 12.794 5.861 5.861 905 HA SER 122 HA SER 122 14.185 7.320 7.320 906 1HB SER 122 HB1 SER 122 12.507 9.603 9.603 907 2HB SER 122 HB2 SER 122 14.213 9.616 9.616 908 HG SER 122 HG SER 122 13.190 9.199 9.199 909 H SER 123 HN SER 123 10.958 8.848 8.848 910 HA SER 123 HA SER 123 11.214 9.584 9.584 911 1HB SER 123 HB1 SER 123 8.647 9.337 9.337 912 2HB SER 123 HB2 SER 123 8.938 10.343 10.343 913 HG SER 123 HG SER 123 9.901 10.667 10.667 914 H VAL 124 HN VAL 124 9.672 6.879 6.879 915 HA VAL 124 HA VAL 124 8.441 5.812 5.812 916 HB VAL 124 HB VAL 124 9.081 4.366 4.366 917 1HG1 VAL 124 HG11 VAL 124 8.504 2.948 2.948 918 2HG1 VAL 124 HG13 VAL 124 6.964 3.799 3.799 919 3HG1 VAL 124 HG12 VAL 124 7.332 2.841 2.841 920 1HG2 VAL 124 HG23 VAL 124 7.571 6.588 6.588 921 2HG2 VAL 124 HG22 VAL 124 7.265 5.256 5.256 922 3HG2 VAL 124 HG21 VAL 124 6.352 5.373 5.373 923 H VAL 125 HN VAL 125 11.215 4.766 4.766 924 HA VAL 125 HA VAL 125 12.074 2.652 2.652 925 HB VAL 125 HB VAL 125 14.163 2.802 2.802 926 1HG1 VAL 125 HG21 VAL 125 11.868 2.795 2.795 927 2HG1 VAL 125 HG23 VAL 125 12.679 4.182 4.182 928 3HG1 VAL 125 HG22 VAL 125 13.464 2.603 2.603 929 1HG2 VAL 125 HG13 VAL 125 13.567 5.713 5.713 930 2HG2 VAL 125 HG12 VAL 125 14.775 5.055 5.055 931 3HG2 VAL 125 HG11 VAL 125 14.962 4.842 4.842 932 H SER 126 HN SER 126 12.987 6.075 6.075 933 HA SER 126 HA SER 126 14.711 5.683 5.683 934 1HB SER 126 HB1 SER 126 15.201 7.604 7.604 935 2HB SER 126 HB2 SER 126 13.507 8.091 8.091 936 HG SER 126 HG SER 126 13.597 8.850 8.850 937 H PHE 127 HN PHE 127 11.337 6.460 6.460 938 HA PHE 127 HA PHE 127 10.893 7.168 7.168 939 1HB PHE 127 HB1 PHE 127 9.399 8.003 8.003 940 2HB PHE 127 HB2 PHE 127 8.964 6.361 6.361 941 HD1 PHE 127 HD2 PHE 127 9.093 8.341 8.341 942 HD2 PHE 127 HD1 PHE 127 6.877 5.704 5.704 943 HE1 PHE 127 HE2 PHE 127 7.226 8.383 8.383 944 HE2 PHE 127 HE1 PHE 127 5.006 5.742 5.742 945 HZ PHE 127 HZ PHE 127 5.179 7.083 7.083 946 H LEU 128 HN LEU 128 10.538 4.220 4.220 947 HA LEU 128 HA LEU 128 9.270 2.687 2.687 948 1HB LEU 128 HB1 LEU 128 10.387 2.246 2.246 949 2HB LEU 128 HB2 LEU 128 10.676 0.890 0.890 950 HG LEU 128 HG LEU 128 7.913 1.954 1.954 951 1HD1 LEU 128 HD22 LEU 128 9.263 1.360 1.360 952 2HD1 LEU 128 HD21 LEU 128 8.107 0.067 0.067 953 3HD1 LEU 128 HD23 LEU 128 7.560 1.742 1.742 954 1HD2 LEU 128 HD13 LEU 128 9.232 -0.298 -0.298 955 2HD2 LEU 128 HD12 LEU 128 7.490 -0.023 -0.023 956 3HD2 LEU 128 HD11 LEU 128 8.287 -0.876 -0.876 957 H ALA 129 HN ALA 129 12.562 3.566 3.566 958 HA ALA 129 HA ALA 129 13.936 1.522 1.522 959 1HB ALA 129 HB1 ALA 129 14.580 3.989 3.989 960 2HB ALA 129 HB3 ALA 129 15.153 4.078 4.078 961 3HB ALA 129 HB2 ALA 129 15.698 2.770 2.770 962 HA PRO 130 HA PRO 130 13.687 4.001 4.001 963 1HB PRO 130 HB2 PRO 130 12.012 6.147 6.147 964 2HB PRO 130 HB1 PRO 130 13.718 6.264 6.264 965 1HG PRO 130 HG2 PRO 130 11.298 6.147 6.147 966 2HG PRO 130 HG1 PRO 130 12.734 7.180 7.180 967 1HD PRO 130 HD1 PRO 130 12.402 4.959 4.959 968 2HD PRO 130 HD2 PRO 130 14.001 5.505 5.505 969 H GLU 131 HN GLU 131 10.573 4.360 4.360 970 HA GLU 131 HA GLU 131 8.914 3.753 3.753 971 1HB GLU 131 HB1 GLU 131 8.440 3.235 3.235 972 2HB GLU 131 HB2 GLU 131 7.197 3.221 3.221 973 1HG GLU 131 HG2 GLU 131 6.890 5.379 5.379 974 2HG GLU 131 HG1 GLU 131 8.522 5.675 5.675 975 H SER 132 HN SER 132 10.743 1.692 1.692 976 HA SER 132 HA SER 132 9.546 -0.687 -0.687 977 1HB SER 132 HB1 SER 132 11.353 -0.824 -0.824 978 2HB SER 132 HB2 SER 132 10.056 -1.917 -1.917 979 HG SER 132 HG SER 132 8.613 -0.639 -0.639 980 H ASP 133 HN ASP 133 10.948 -2.398 -2.398 981 HA ASP 133 HA ASP 133 12.952 -1.751 -1.751 982 1HB ASP 133 HB1 ASP 133 13.871 -4.170 -4.170 983 2HB ASP 133 HB2 ASP 133 12.230 -4.214 -4.214 984 H LEU 134 HN LEU 134 14.749 -0.612 -0.612 985 HA LEU 134 HA LEU 134 16.035 -0.546 -0.546 986 1HB LEU 134 HB1 LEU 134 16.174 1.007 1.007 987 2HB LEU 134 HB2 LEU 134 17.644 0.937 0.937 988 HG LEU 134 HG LEU 134 14.971 2.052 2.052 989 1HD1 LEU 134 HD11 LEU 134 16.895 3.303 3.303 990 2HD1 LEU 134 HD13 LEU 134 17.540 3.494 3.494 991 3HD1 LEU 134 HD12 LEU 134 15.933 4.106 4.106 992 1HD2 LEU 134 HD21 LEU 134 17.343 1.303 1.303 993 2HD2 LEU 134 HD23 LEU 134 15.639 0.924 0.924 994 3HD2 LEU 134 HD22 LEU 134 16.220 2.572 2.572 995 H HIS 135 HN HIS 135 16.169 -3.088 -3.088 996 HA HIS 135 HA HIS 135 18.871 -3.716 -3.716 997 1HB HIS 135 HB2 HIS 135 18.225 -2.769 -2.769 998 2HB HIS 135 HB1 HIS 135 18.468 -4.508 -4.508 999 HD2 HIS 135 HD2 HIS 135 20.537 -1.760 -1.760 1000 HE1 HIS 135 HE1 HIS 135 23.112 -4.182 -4.182 1001 HE2 HIS 135 HE2 HIS 135 22.995 -2.363 -2.363 1002 H HIS 136 HN HIS 136 16.263 -4.610 -4.610 1003 HA HIS 136 HA HIS 136 16.168 -7.324 -7.324 1004 1HB HIS 136 HB1 HIS 136 14.081 -5.845 -5.845 1005 2HB HIS 136 HB2 HIS 136 14.065 -6.070 -6.070 1006 HD2 HIS 136 HD2 HIS 136 12.649 -8.191 -8.191 1007 HE1 HIS 136 HE1 HIS 136 12.719 -10.303 -10.303 1008 HE2 HIS 136 HE2 HIS 136 11.691 -10.186 -10.186 1009 H ARG 137 HN ARG 137 15.374 -8.984 -8.984 1010 HA ARG 137 HA ARG 137 16.826 -8.529 -8.529 1011 1HB ARG 137 HB1 ARG 137 17.526 -10.345 -10.345 1012 2HB ARG 137 HB2 ARG 137 16.766 -11.321 -11.321 1013 1HG ARG 137 HG2 ARG 137 18.478 -11.065 -11.065 1014 2HG ARG 137 HG1 ARG 137 18.695 -9.363 -9.363 1015 1HD ARG 137 HD1 ARG 137 20.516 -9.954 -9.954 1016 2HD ARG 137 HD2 ARG 137 19.455 -10.749 -10.749 1017 HE ARG 137 HE ARG 137 20.096 -12.783 -12.783 1018 1HH1 ARG 137 HH21 ARG 137 21.103 -10.258 -10.258 1019 2HH1 ARG 137 HH22 ARG 137 22.066 -11.309 -11.309 1020 1HH2 ARG 137 HH11 ARG 137 21.364 -14.177 -14.177 1021 2HH2 ARG 137 HH12 ARG 137 22.214 -13.539 -13.539 1022 H ASP 138 HN ASP 138 16.196 -11.145 -11.145 1023 HA ASP 138 HA ASP 138 13.504 -11.816 -11.816 1024 1HB ASP 138 HB1 ASP 138 13.207 -10.750 -10.750 1025 2HB ASP 138 HB2 ASP 138 12.594 -10.007 -10.007 1026 H ALA 139 HN ALA 139 12.940 -13.382 -13.382 1027 HA ALA 139 HA ALA 139 14.752 -15.272 -15.272 1028 1HB ALA 139 HB3 ALA 139 12.431 -14.404 -14.404 1029 2HB ALA 139 HB2 ALA 139 13.348 -15.884 -15.884 1030 3HB ALA 139 HB1 ALA 139 12.454 -15.673 -15.673 1031 H SER 140 HN SER 140 14.347 -12.256 -12.256 1032 HA SER 140 HA SER 140 15.820 -12.741 -12.741 1033 1HB SER 140 HB1 SER 140 15.138 -10.647 -10.647 1034 2HB SER 140 HB2 SER 140 14.601 -10.521 -10.521 1035 HG SER 140 HG SER 140 16.109 -8.914 -8.914 1036 H GLY 141 HN GLY 141 16.830 -11.547 -11.547 1037 1HA GLY 141 HA2 GLY 141 18.888 -11.869 -11.869 1038 2HA GLY 141 HA1 GLY 141 19.503 -12.572 -12.572 1039 H LEU 142 HN LEU 142 17.896 -9.496 -9.496 1040 HA LEU 142 HA LEU 142 20.484 -8.113 -8.113 1041 1HB LEU 142 HB1 LEU 142 18.317 -7.260 -7.260 1042 2HB LEU 142 HB2 LEU 142 20.055 -7.130 -7.130 1043 HG LEU 142 HG LEU 142 18.915 -9.868 -9.868 1044 1HD1 LEU 142 HD13 LEU 142 17.965 -7.775 -7.775 1045 2HD1 LEU 142 HD12 LEU 142 18.797 -9.039 -9.039 1046 3HD1 LEU 142 HD11 LEU 142 17.438 -9.453 -9.453 1047 1HD2 LEU 142 HD22 LEU 142 21.335 -8.548 -8.548 1048 2HD2 LEU 142 HD21 LEU 142 20.968 -10.273 -10.273 1049 3HD2 LEU 142 HD23 LEU 142 20.660 -9.278 -9.278 1050 H THR 143 HN THR 143 19.933 -7.442 -7.442 1051 HA THR 143 HA THR 143 17.715 -6.188 -6.188 1052 HB THR 143 HB THR 143 19.023 -5.262 -5.262 1053 HG1 THR 143 HG1 THR 143 21.285 -4.711 -4.711 1054 1HG2 THR 143 HG23 THR 143 19.731 -7.763 -7.763 1055 2HG2 THR 143 HG22 THR 143 21.291 -6.941 -6.941 1056 3HG2 THR 143 HG21 THR 143 20.326 -6.933 -6.933 1057 HA PRO 144 HA PRO 144 16.715 -2.291 -2.291 1058 1HB PRO 144 HB1 PRO 144 17.989 -0.948 -0.948 1059 2HB PRO 144 HB2 PRO 144 16.432 -0.619 -0.619 1060 1HG PRO 144 HG1 PRO 144 16.535 -2.006 -2.006 1061 2HG PRO 144 HG2 PRO 144 15.413 -2.471 -2.471 1062 1HD PRO 144 HD2 PRO 144 17.951 -3.762 -3.762 1063 2HD PRO 144 HD1 PRO 144 16.494 -4.492 -4.492 1064 H LEU 145 HN LEU 145 19.903 -2.181 -2.181 1065 HA LEU 145 HA LEU 145 20.967 -0.274 -0.274 1066 1HB LEU 145 HB1 LEU 145 21.726 -0.862 -0.862 1067 2HB LEU 145 HB2 LEU 145 22.661 -2.123 -2.123 1068 HG LEU 145 HG LEU 145 23.049 0.817 0.817 1069 1HD1 LEU 145 HD12 LEU 145 24.892 -1.566 -1.566 1070 2HD1 LEU 145 HD11 LEU 145 25.412 0.118 0.118 1071 3HD1 LEU 145 HD13 LEU 145 24.468 -0.574 -0.574 1072 1HD2 LEU 145 HD22 LEU 145 22.614 0.150 0.150 1073 2HD2 LEU 145 HD21 LEU 145 24.189 0.877 0.877 1074 3HD2 LEU 145 HD23 LEU 145 24.050 -0.869 -0.869 1075 H GLU 146 HN GLU 146 21.195 -3.779 -3.779 1076 HA GLU 146 HA GLU 146 23.069 -4.363 -4.363 1077 1HB GLU 146 HB1 GLU 146 21.218 -5.812 -5.812 1078 2HB GLU 146 HB2 GLU 146 20.938 -6.296 -6.296 1079 1HG GLU 146 HG2 GLU 146 22.596 -7.741 -7.741 1080 2HG GLU 146 HG1 GLU 146 23.672 -6.349 -6.349 1081 H LEU 147 HN LEU 147 19.532 -4.565 -4.565 1082 HA LEU 147 HA LEU 147 19.572 -4.790 -4.790 1083 1HB LEU 147 HB2 LEU 147 17.621 -4.580 -4.580 1084 2HB LEU 147 HB1 LEU 147 17.386 -3.121 -3.121 1085 HG LEU 147 HG LEU 147 17.210 -5.976 -5.976 1086 1HD1 LEU 147 HD11 LEU 147 15.326 -4.172 -4.172 1087 2HD1 LEU 147 HD13 LEU 147 15.089 -4.185 -4.185 1088 3HD1 LEU 147 HD12 LEU 147 15.015 -5.693 -5.693 1089 1HD2 LEU 147 HD22 LEU 147 18.444 -4.241 -4.241 1090 2HD2 LEU 147 HD21 LEU 147 17.245 -5.348 -5.348 1091 3HD2 LEU 147 HD23 LEU 147 16.803 -3.677 -3.677 1092 H ALA 148 HN ALA 148 19.822 -1.970 -1.970 1093 HA ALA 148 HA ALA 148 19.485 0.029 0.029 1094 1HB ALA 148 HB2 ALA 148 20.246 -0.117 -0.117 1095 2HB ALA 148 HB1 ALA 148 21.382 0.929 0.929 1096 3HB ALA 148 HB3 ALA 148 19.653 1.271 1.271 1097 H ARG 149 HN ARG 149 22.180 -2.006 -2.006 1098 HA ARG 149 HA ARG 149 24.180 -0.552 -0.552 1099 1HB ARG 149 HB1 ARG 149 24.450 -2.355 -2.355 1100 2HB ARG 149 HB2 ARG 149 24.323 -3.505 -3.505 1101 1HG ARG 149 HG2 ARG 149 26.344 -1.279 -1.279 1102 2HG ARG 149 HG1 ARG 149 26.652 -2.925 -2.925 1103 1HD ARG 149 HD2 ARG 149 27.289 -3.376 -3.376 1104 2HD ARG 149 HD1 ARG 149 25.582 -3.282 -3.282 1105 HE ARG 149 HE ARG 149 26.374 -0.710 -0.710 1106 1HH1 ARG 149 HH11 ARG 149 27.660 -3.665 -3.665 1107 2HH1 ARG 149 HH12 ARG 149 28.325 -2.900 -2.900 1108 1HH2 ARG 149 HH21 ARG 149 27.245 0.308 0.308 1109 2HH2 ARG 149 HH22 ARG 149 28.089 -0.641 -0.641 1110 H GLN 150 HN GLN 150 22.157 -3.364 -3.364 1111 HA GLN 150 HA GLN 150 23.157 -3.785 -3.785 1112 1HB GLN 150 HB1 GLN 150 22.150 -5.687 -5.687 1113 2HB GLN 150 HB2 GLN 150 20.839 -4.782 -4.782 1114 1HG GLN 150 HG1 GLN 150 19.520 -5.213 -5.213 1115 2HG GLN 150 HG2 GLN 150 20.679 -4.506 -4.506 1116 1HE2 GLN 150 HE22 GLN 150 19.948 -8.248 -8.248 1117 2HE2 GLN 150 HE21 GLN 150 18.894 -6.979 -6.979 1118 H ARG 151 HN ARG 151 19.727 -3.267 -3.267 1119 HA ARG 151 HA ARG 151 19.557 -1.546 -1.546 1120 1HB ARG 151 HB1 ARG 151 17.788 -3.210 -3.210 1121 2HB ARG 151 HB2 ARG 151 17.399 -2.128 -2.128 1122 1HG ARG 151 HG1 ARG 151 16.142 -0.856 -0.856 1123 2HG ARG 151 HG2 ARG 151 17.432 -0.703 -0.703 1124 1HD ARG 151 HD1 ARG 151 16.801 -2.929 -2.929 1125 2HD ARG 151 HD2 ARG 151 15.443 -2.955 -2.955 1126 HE ARG 151 HE ARG 151 14.348 -1.391 -1.391 1127 1HH1 ARG 151 HH21 ARG 151 17.601 -1.881 -1.881 1128 2HH1 ARG 151 HH22 ARG 151 17.339 -1.048 -1.048 1129 1HH2 ARG 151 HH11 ARG 151 13.992 -0.291 -0.291 1130 2HH2 ARG 151 HH12 ARG 151 15.288 -0.144 -0.144 1131 H GLY 152 HN GLY 152 21.282 -0.274 -0.274 1132 1HA GLY 152 HA1 GLY 152 20.252 1.432 1.432 1133 2HA GLY 152 HA2 GLY 152 21.730 1.703 1.703 1134 H ALA 153 HN ALA 153 19.627 1.473 1.473 1135 HA ALA 153 HA ALA 153 18.774 3.042 3.042 1136 1HB ALA 153 HB2 ALA 153 17.540 3.895 3.895 1137 2HB ALA 153 HB1 ALA 153 17.028 4.496 4.496 1138 3HB ALA 153 HB3 ALA 153 16.867 2.783 2.783 1139 H GLN 154 HN GLN 154 18.798 5.250 5.250 1140 HA GLN 154 HA GLN 154 20.920 6.848 6.848 1141 1HB GLN 154 HB2 GLN 154 18.837 8.287 8.287 1142 2HB GLN 154 HB1 GLN 154 19.649 8.747 8.747 1143 1HG GLN 154 HG1 GLN 154 17.512 8.431 8.431 1144 2HG GLN 154 HG2 GLN 154 18.196 6.832 6.832 1145 1HE2 GLN 154 HE22 GLN 154 16.495 6.151 6.151 1146 2HE2 GLN 154 HE21 GLN 154 18.103 6.704 6.704 1147 H ASN 155 HN ASN 155 20.227 8.719 8.719 1148 HA ASN 155 HA ASN 155 22.245 7.623 7.623 1149 1HB ASN 155 HB2 ASN 155 21.576 9.585 9.585 1150 2HB ASN 155 HB1 ASN 155 22.190 9.983 9.983 1151 1HD2 ASN 155 HD22 ASN 155 19.464 12.139 12.139 1152 2HD2 ASN 155 HD21 ASN 155 21.173 11.974 11.974 1153 H LEU 156 HN LEU 156 19.410 6.329 6.329 1154 HA LEU 156 HA LEU 156 17.961 6.354 6.354 1155 1HB LEU 156 HB1 LEU 156 16.773 4.723 4.723 1156 2HB LEU 156 HB2 LEU 156 17.808 5.009 5.009 1157 HG LEU 156 HG LEU 156 19.326 3.184 3.184 1158 1HD1 LEU 156 HD22 LEU 156 16.890 2.970 2.970 1159 2HD1 LEU 156 HD21 LEU 156 17.747 1.500 1.500 1160 3HD1 LEU 156 HD23 LEU 156 18.587 2.765 2.765 1161 1HD2 LEU 156 HD11 LEU 156 17.281 3.154 3.154 1162 2HD2 LEU 156 HD13 LEU 156 18.452 1.864 1.864 1163 3HD2 LEU 156 HD12 LEU 156 16.883 1.806 1.806 1164 H MET 157 HN MET 157 20.762 4.304 4.304 1165 HA MET 157 HA MET 157 20.749 2.768 2.768 1166 1HB MET 157 HB1 MET 157 22.843 2.043 2.043 1167 2HB MET 157 HB2 MET 157 22.207 2.628 2.628 1168 1HG MET 157 HG2 MET 157 23.566 4.498 4.498 1169 2HG MET 157 HG1 MET 157 23.851 4.422 4.422 1170 1HE MET 157 HE2 MET 157 24.581 2.022 2.022 1171 2HE MET 157 HE1 MET 157 24.616 0.790 0.790 1172 3HE MET 157 HE3 MET 157 26.121 1.347 1.347 1173 H ASP 158 HN ASP 158 21.802 6.036 6.036 1174 HA ASP 158 HA ASP 158 23.295 6.302 6.302 1175 1HB ASP 158 HB1 ASP 158 22.080 8.449 8.449 1176 2HB ASP 158 HB2 ASP 158 23.681 7.748 7.748 1177 H ILE 159 HN ILE 159 20.040 7.284 7.284 1178 HA ILE 159 HA ILE 159 19.225 8.607 8.607 1179 HB ILE 159 HB ILE 159 17.089 6.899 6.899 1180 1HG1 ILE 159 HG12 ILE 159 18.535 8.690 8.690 1181 2HG1 ILE 159 HG11 ILE 159 18.464 6.934 6.934 1182 1HG2 ILE 159 HG21 ILE 159 17.608 9.837 9.837 1183 2HG2 ILE 159 HG23 ILE 159 16.140 9.211 9.211 1184 3HG2 ILE 159 HG22 ILE 159 16.508 8.818 8.818 1185 1HD1 ILE 159 HD11 ILE 159 16.038 7.056 7.056 1186 2HD1 ILE 159 HD13 ILE 159 16.141 8.816 8.816 1187 3HD1 ILE 159 HD12 ILE 159 16.920 7.895 7.895 1188 H LEU 160 HN LEU 160 18.960 5.129 5.129 1189 HA LEU 160 HA LEU 160 17.884 4.504 4.504 1190 1HB LEU 160 HB2 LEU 160 19.154 2.720 2.720 1191 2HB LEU 160 HB1 LEU 160 18.294 2.155 2.155 1192 HG LEU 160 HG LEU 160 16.308 3.545 3.545 1193 1HD1 LEU 160 HD23 LEU 160 18.137 3.240 3.240 1194 2HD1 LEU 160 HD22 LEU 160 16.391 3.426 3.426 1195 3HD1 LEU 160 HD21 LEU 160 17.343 4.699 4.699 1196 1HD2 LEU 160 HD12 LEU 160 17.318 0.868 0.868 1197 2HD2 LEU 160 HD11 LEU 160 15.927 1.284 1.284 1198 3HD2 LEU 160 HD13 LEU 160 15.859 1.520 1.520 1199 H GLN 161 HN GLN 161 21.074 4.825 4.825 1200 HA GLN 161 HA GLN 161 22.504 3.297 3.297 1201 1HB GLN 161 HB2 GLN 161 23.105 5.002 5.002 1202 2HB GLN 161 HB1 GLN 161 24.085 5.504 5.504 1203 1HG GLN 161 HG1 GLN 161 24.234 2.717 2.717 1204 2HG GLN 161 HG2 GLN 161 24.384 3.231 3.231 1205 1HE2 GLN 161 HE22 GLN 161 27.628 3.243 3.243 1206 2HE2 GLN 161 HE21 GLN 161 26.278 2.169 2.169 1207 H GLY 162 HN GLY 162 22.278 6.856 6.856 1208 1HA GLY 162 HA2 GLY 162 23.345 7.312 7.312 1209 2HA GLY 162 HA1 GLY 162 22.390 8.461 8.461 1210 H HIS 163 HN HIS 163 20.064 6.680 6.680 1211 HA HIS 163 HA HIS 163 18.757 7.544 7.544 1212 1HB HIS 163 HB1 HIS 163 18.046 6.164 6.164 1213 2HB HIS 163 HB2 HIS 163 17.197 5.491 5.491 1214 HD2 HIS 163 HD2 HIS 163 16.517 8.016 8.016 1215 HE1 HIS 163 HE1 HIS 163 14.775 9.575 9.575 1216 HE2 HIS 163 HE2 HIS 163 15.026 9.878 9.878 1217 H MET 164 HN MET 164 20.117 4.439 4.439 1218 HA MET 164 HA MET 164 19.129 2.922 2.922 1219 1HB MET 164 HB2 MET 164 20.377 1.196 1.196 1220 2HB MET 164 HB1 MET 164 20.349 2.238 2.238 1221 1HG MET 164 HG1 MET 164 22.557 3.171 3.171 1222 2HG MET 164 HG2 MET 164 22.580 1.508 1.508 1223 1HE MET 164 HE2 MET 164 22.511 -0.562 -0.562 1224 2HE MET 164 HE1 MET 164 21.229 -0.054 -0.054 1225 3HE MET 164 HE3 MET 164 22.783 -0.586 -0.586 1226 H MET 165 HN MET 165 21.102 1.711 1.711 1227 HA MET 165 HA MET 165 22.482 3.888 3.888 1228 1HB MET 165 HB2 MET 165 22.323 2.317 2.317 1229 2HB MET 165 HB1 MET 165 20.833 3.095 3.095 1230 1HG MET 165 HG2 MET 165 19.857 1.156 1.156 1231 2HG MET 165 HG1 MET 165 21.318 0.504 0.504 1232 1HE MET 165 HE3 MET 165 20.867 2.134 2.134 1233 2HE MET 165 HE2 MET 165 20.783 0.870 0.870 1234 3HE MET 165 HE1 MET 165 22.348 1.379 1.379 1235 H ILE 166 HN ILE 166 24.437 3.699 3.699 1236 HA ILE 166 HA ILE 166 26.082 1.468 1.468 1237 HB ILE 166 HB ILE 166 25.559 2.023 2.023 1238 1HG1 ILE 166 HG11 ILE 166 25.231 -0.388 -0.388 1239 2HG1 ILE 166 HG12 ILE 166 23.985 0.464 0.464 1240 1HG2 ILE 166 HG21 ILE 166 27.985 1.841 1.841 1241 2HG2 ILE 166 HG23 ILE 166 27.696 0.243 0.243 1242 3HG2 ILE 166 HG22 ILE 166 27.371 0.537 0.537 1243 1HD1 ILE 166 HD13 ILE 166 26.246 -0.965 -0.965 1244 2HD1 ILE 166 HD12 ILE 166 24.736 -1.766 -1.766 1245 3HD1 ILE 166 HD11 ILE 166 24.721 -0.416 -0.416 1246 HA PRO 167 HA PRO 167 28.456 5.371 5.371 1247 1HB PRO 167 HB2 PRO 167 29.689 5.046 5.046 1248 2HB PRO 167 HB1 PRO 167 28.007 5.580 5.580 1249 1HG PRO 167 HG2 PRO 167 29.100 2.855 2.855 1250 2HG PRO 167 HG1 PRO 167 27.762 3.715 3.715 1251 1HD PRO 167 HD2 PRO 167 27.431 1.794 1.794 1252 2HD PRO 167 HD1 PRO 167 26.260 3.084 3.084 1253 H MET 168 HN MET 168 29.692 4.522 4.522 1254 HA MET 168 HA MET 168 32.258 3.390 3.390 1255 1HB MET 168 HB2 MET 168 30.537 2.409 2.409 1256 2HB MET 168 HB1 MET 168 32.251 2.037 2.037 1257 1HG MET 168 HG2 MET 168 31.542 1.225 1.225 1258 2HG MET 168 HG1 MET 168 29.970 1.060 1.060 1259 1HE MET 168 HE1 MET 168 29.578 -0.089 -0.089 1260 2HE MET 168 HE3 MET 168 31.025 -0.004 -0.004 1261 3HE MET 168 HE2 MET 168 30.390 -1.571 -1.571 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -21.330 -18.653 -18.653 2 2H GLY 1 HT3 GLY 1 -21.951 -17.505 -17.505 3 3H GLY 1 HT2 GLY 1 -20.354 -17.378 -17.378 4 1HA GLY 1 HA1 GLY 1 -20.934 -16.595 -16.595 5 2HA GLY 1 HA2 GLY 1 -22.187 -15.891 -15.891 6 H SER 2 HN SER 2 -23.730 -18.211 -18.211 7 HA SER 2 HA SER 2 -25.474 -19.349 -19.349 8 1HB SER 2 HB1 SER 2 -23.187 -19.900 -19.900 9 2HB SER 2 HB2 SER 2 -24.678 -19.927 -19.927 10 HG SER 2 HG SER 2 -23.841 -21.594 -21.594 11 H MET 3 HN MET 3 -27.199 -18.091 -18.091 12 HA MET 3 HA MET 3 -27.258 -15.868 -15.868 13 1HB MET 3 HB2 MET 3 -29.121 -17.204 -17.204 14 2HB MET 3 HB1 MET 3 -29.893 -16.426 -16.426 15 1HG MET 3 HG2 MET 3 -29.873 -14.626 -14.626 16 2HG MET 3 HG1 MET 3 -28.208 -14.472 -14.472 17 1HE MET 3 HE1 MET 3 -28.255 -12.875 -12.875 18 2HE MET 3 HE3 MET 3 -26.638 -13.553 -13.553 19 3HE MET 3 HE2 MET 3 -27.691 -13.369 -13.369 20 H LEU 4 HN LEU 4 -26.858 -16.397 -16.397 21 HA LEU 4 HA LEU 4 -28.998 -17.395 -17.395 22 1HB LEU 4 HB1 LEU 4 -27.611 -19.439 -19.439 23 2HB LEU 4 HB2 LEU 4 -26.694 -19.206 -19.206 24 HG LEU 4 HG LEU 4 -29.596 -19.303 -19.303 25 1HD1 LEU 4 HD13 LEU 4 -29.399 -20.898 -20.898 26 2HD1 LEU 4 HD12 LEU 4 -28.158 -21.773 -21.773 27 3HD1 LEU 4 HD11 LEU 4 -29.806 -21.696 -21.696 28 1HD2 LEU 4 HD21 LEU 4 -27.185 -20.636 -20.636 29 2HD2 LEU 4 HD23 LEU 4 -28.143 -19.316 -19.316 30 3HD2 LEU 4 HD22 LEU 4 -28.838 -20.931 -20.931 31 H LEU 5 HN LEU 5 -25.437 -17.209 -17.209 32 HA LEU 5 HA LEU 5 -25.603 -15.852 -15.852 33 1HB LEU 5 HB2 LEU 5 -24.235 -18.090 -18.090 34 2HB LEU 5 HB1 LEU 5 -23.021 -16.930 -16.930 35 HG LEU 5 HG LEU 5 -23.633 -15.868 -15.868 36 1HD1 LEU 5 HD23 LEU 5 -25.217 -18.025 -18.025 37 2HD1 LEU 5 HD22 LEU 5 -23.729 -18.707 -18.707 38 3HD1 LEU 5 HD21 LEU 5 -24.456 -17.286 -17.286 39 1HD2 LEU 5 HD11 LEU 5 -21.535 -17.359 -17.359 40 2HD2 LEU 5 HD13 LEU 5 -21.487 -16.326 -16.326 41 3HD2 LEU 5 HD12 LEU 5 -21.835 -18.047 -18.047 42 H GLU 6 HN GLU 6 -25.579 -13.717 -13.717 43 HA GLU 6 HA GLU 6 -23.505 -12.623 -12.623 44 1HB GLU 6 HB2 GLU 6 -26.161 -12.412 -12.412 45 2HB GLU 6 HB1 GLU 6 -25.908 -10.969 -10.969 46 1HG GLU 6 HG2 GLU 6 -23.807 -10.905 -10.905 47 2HG GLU 6 HG1 GLU 6 -25.141 -11.533 -11.533 48 H GLU 7 HN GLU 7 -22.429 -12.847 -12.847 49 HA GLU 7 HA GLU 7 -23.149 -10.867 -10.867 50 1HB GLU 7 HB1 GLU 7 -20.992 -11.612 -11.612 51 2HB GLU 7 HB2 GLU 7 -22.201 -12.867 -12.867 52 1HG GLU 7 HG1 GLU 7 -20.942 -14.004 -14.004 53 2HG GLU 7 HG2 GLU 7 -20.230 -12.543 -12.543 54 H VAL 8 HN VAL 8 -22.933 -9.358 -9.358 55 HA VAL 8 HA VAL 8 -20.468 -7.859 -7.859 56 HB VAL 8 HB VAL 8 -20.008 -7.531 -7.531 57 1HG1 VAL 8 HG21 VAL 8 -20.336 -10.424 -10.424 58 2HG1 VAL 8 HG23 VAL 8 -19.472 -9.890 -9.890 59 3HG1 VAL 8 HG22 VAL 8 -18.896 -9.417 -9.417 60 1HG2 VAL 8 HG11 VAL 8 -22.674 -8.667 -8.667 61 2HG2 VAL 8 HG13 VAL 8 -21.760 -7.599 -7.599 62 3HG2 VAL 8 HG12 VAL 8 -21.490 -9.340 -9.340 63 H CYS 9 HN CYS 9 -23.574 -7.755 -7.755 64 HA CYS 9 HA CYS 9 -24.668 -5.740 -5.740 65 1HB CYS 9 HB2 CYS 9 -25.149 -5.986 -5.986 66 2HB CYS 9 HB1 CYS 9 -26.271 -5.424 -5.424 67 HG CYS 9 HG CYS 9 -26.502 -8.043 -8.043 68 H VAL 10 HN VAL 10 -23.388 -4.039 -4.039 69 HA VAL 10 HA VAL 10 -22.819 -1.813 -1.813 70 HB VAL 10 HB VAL 10 -23.982 -2.181 -2.181 71 1HG1 VAL 10 HG11 VAL 10 -21.537 -3.077 -3.077 72 2HG1 VAL 10 HG13 VAL 10 -21.352 -1.362 -1.362 73 3HG1 VAL 10 HG12 VAL 10 -22.641 -2.295 -2.295 74 1HG2 VAL 10 HG22 VAL 10 -22.168 0.076 0.076 75 2HG2 VAL 10 HG21 VAL 10 -23.905 -0.067 -0.067 76 3HG2 VAL 10 HG23 VAL 10 -23.284 0.157 0.157 77 H GLY 11 HN GLY 11 -21.232 -4.641 -4.641 78 1HA GLY 11 HA2 GLY 11 -18.741 -3.912 -3.912 79 2HA GLY 11 HA1 GLY 11 -19.026 -5.252 -5.252 80 H ASP 12 HN ASP 12 -19.878 -3.902 -3.902 81 HA ASP 12 HA ASP 12 -17.352 -2.842 -2.842 82 1HB ASP 12 HB2 ASP 12 -18.183 -3.146 -3.146 83 2HB ASP 12 HB1 ASP 12 -18.863 -4.488 -4.488 84 H ARG 13 HN ARG 13 -19.720 -1.459 -1.459 85 HA ARG 13 HA ARG 13 -20.226 0.886 0.886 86 1HB ARG 13 HB2 ARG 13 -21.864 0.025 0.025 87 2HB ARG 13 HB1 ARG 13 -20.735 0.393 0.393 88 1HG ARG 13 HG1 ARG 13 -21.904 2.300 2.300 89 2HG ARG 13 HG2 ARG 13 -20.882 2.798 2.798 90 1HD ARG 13 HD1 ARG 13 -22.786 3.187 3.187 91 2HD ARG 13 HD2 ARG 13 -22.914 1.435 1.435 92 HE ARG 13 HE ARG 13 -24.058 1.934 1.934 93 1HH1 ARG 13 HH11 ARG 13 -24.532 3.231 3.231 94 2HH1 ARG 13 HH12 ARG 13 -26.213 3.569 3.569 95 1HH2 ARG 13 HH21 ARG 13 -26.271 2.375 2.375 96 2HH2 ARG 13 HH22 ARG 13 -27.202 3.083 3.083 97 H LEU 14 HN LEU 14 -18.631 0.442 0.442 98 HA LEU 14 HA LEU 14 -17.351 2.983 2.983 99 1HB LEU 14 HB1 LEU 14 -17.901 1.910 1.910 100 2HB LEU 14 HB2 LEU 14 -16.817 0.583 0.583 101 HG LEU 14 HG LEU 14 -16.022 2.421 2.421 102 1HD1 LEU 14 HD12 LEU 14 -14.709 0.681 0.681 103 2HD1 LEU 14 HD11 LEU 14 -13.908 2.225 2.225 104 3HD1 LEU 14 HD13 LEU 14 -13.994 1.567 1.567 105 1HD2 LEU 14 HD21 LEU 14 -16.729 4.151 4.151 106 2HD2 LEU 14 HD23 LEU 14 -15.388 4.461 4.461 107 3HD2 LEU 14 HD22 LEU 14 -15.070 3.868 3.868 108 H SER 15 HN SER 15 -16.434 -0.280 -0.280 109 HA SER 15 HA SER 15 -13.655 0.195 0.195 110 1HB SER 15 HB2 SER 15 -14.387 -2.073 -2.073 111 2HB SER 15 HB1 SER 15 -15.484 -1.908 -1.908 112 HG SER 15 HG SER 15 -13.272 -2.943 -2.943 113 H GLY 16 HN GLY 16 -16.309 0.091 0.091 114 1HA GLY 16 HA1 GLY 16 -14.801 0.653 0.653 115 2HA GLY 16 HA2 GLY 16 -16.504 1.039 1.039 116 H ALA 17 HN ALA 17 -15.867 2.761 2.761 117 HA ALA 17 HA ALA 17 -15.544 5.204 5.204 118 1HB ALA 17 HB2 ALA 17 -16.924 4.823 4.823 119 2HB ALA 17 HB1 ALA 17 -15.400 4.917 4.917 120 3HB ALA 17 HB3 ALA 17 -15.958 6.296 6.296 121 H ALA 18 HN ALA 18 -13.657 3.991 3.991 122 HA ALA 18 HA ALA 18 -11.488 5.685 5.685 123 1HB ALA 18 HB3 ALA 18 -12.158 3.501 3.501 124 2HB ALA 18 HB2 ALA 18 -10.597 3.106 3.106 125 3HB ALA 18 HB1 ALA 18 -10.794 4.602 4.602 126 H ALA 19 HN ALA 19 -11.764 2.342 2.342 127 HA ALA 19 HA ALA 19 -9.336 2.183 2.183 128 1HB ALA 19 HB3 ALA 19 -11.078 0.361 0.361 129 2HB ALA 19 HB2 ALA 19 -11.837 0.930 0.930 130 3HB ALA 19 HB1 ALA 19 -10.186 0.311 0.311 131 H ARG 20 HN ARG 20 -12.266 3.819 3.819 132 HA ARG 20 HA ARG 20 -11.550 4.182 4.182 133 1HB ARG 20 HB2 ARG 20 -13.737 5.017 5.017 134 2HB ARG 20 HB1 ARG 20 -13.342 6.183 6.183 135 1HG ARG 20 HG2 ARG 20 -13.486 4.195 4.195 136 2HG ARG 20 HG1 ARG 20 -14.309 3.364 3.364 137 1HD ARG 20 HD1 ARG 20 -15.850 5.391 5.391 138 2HD ARG 20 HD2 ARG 20 -15.158 5.848 5.848 139 HE ARG 20 HE ARG 20 -16.134 3.151 3.151 140 1HH1 ARG 20 HH11 ARG 20 -17.018 6.489 6.489 141 2HH1 ARG 20 HH12 ARG 20 -18.405 6.120 6.120 142 1HH2 ARG 20 HH21 ARG 20 -17.958 2.656 2.656 143 2HH2 ARG 20 HH22 ARG 20 -18.940 3.941 3.941 144 H GLY 21 HN GLY 21 -11.183 6.048 6.048 145 1HA GLY 21 HA1 GLY 21 -9.422 7.568 7.568 146 2HA GLY 21 HA2 GLY 21 -9.185 7.702 7.702 147 H ASP 22 HN ASP 22 -11.656 8.410 8.410 148 HA ASP 22 HA ASP 22 -11.973 11.069 11.069 149 1HB ASP 22 HB1 ASP 22 -13.804 9.117 9.117 150 2HB ASP 22 HB2 ASP 22 -14.489 9.844 9.844 151 H VAL 23 HN VAL 23 -11.044 12.121 12.121 152 HA VAL 23 HA VAL 23 -11.329 11.518 11.518 153 HB VAL 23 HB VAL 23 -9.594 13.011 13.011 154 1HG1 VAL 23 HG13 VAL 23 -11.551 14.120 14.120 155 2HG1 VAL 23 HG12 VAL 23 -10.914 15.414 15.414 156 3HG1 VAL 23 HG11 VAL 23 -9.815 14.431 14.431 157 1HG2 VAL 23 HG21 VAL 23 -10.607 13.446 13.446 158 2HG2 VAL 23 HG23 VAL 23 -9.959 14.920 14.920 159 3HG2 VAL 23 HG22 VAL 23 -11.696 14.619 14.619 160 H GLN 24 HN GLN 24 -13.572 12.910 12.910 161 HA GLN 24 HA GLN 24 -15.094 14.395 14.395 162 1HB GLN 24 HB1 GLN 24 -15.423 13.584 13.584 163 2HB GLN 24 HB2 GLN 24 -16.875 14.023 14.023 164 1HG GLN 24 HG2 GLN 24 -16.409 16.110 16.110 165 2HG GLN 24 HG1 GLN 24 -15.159 16.055 16.055 166 1HE2 GLN 24 HE22 GLN 24 -14.205 16.258 16.258 167 2HE2 GLN 24 HE21 GLN 24 -15.838 16.170 16.170 168 H GLU 25 HN GLU 25 -15.473 11.208 11.208 169 HA GLU 25 HA GLU 25 -17.876 10.583 10.583 170 1HB GLU 25 HB1 GLU 25 -15.945 8.747 8.747 171 2HB GLU 25 HB2 GLU 25 -17.572 8.324 8.324 172 1HG GLU 25 HG2 GLU 25 -16.934 9.165 9.165 173 2HG GLU 25 HG1 GLU 25 -18.530 9.346 9.346 174 H VAL 26 HN VAL 26 -14.461 9.972 9.972 175 HA VAL 26 HA VAL 26 -14.614 7.970 7.970 176 HB VAL 26 HB VAL 26 -12.538 9.223 9.223 177 1HG1 VAL 26 HG11 VAL 26 -13.015 11.380 11.380 178 2HG1 VAL 26 HG13 VAL 26 -12.835 10.634 10.634 179 3HG1 VAL 26 HG12 VAL 26 -11.452 10.735 10.735 180 1HG2 VAL 26 HG21 VAL 26 -12.952 7.485 7.485 181 2HG2 VAL 26 HG23 VAL 26 -11.606 7.535 7.535 182 3HG2 VAL 26 HG22 VAL 26 -11.570 8.535 8.535 183 H ARG 27 HN ARG 27 -14.814 11.479 11.479 184 HA ARG 27 HA ARG 27 -15.276 11.202 11.202 185 1HB ARG 27 HB2 ARG 27 -16.188 13.699 13.699 186 2HB ARG 27 HB1 ARG 27 -15.080 13.450 13.450 187 1HG ARG 27 HG1 ARG 27 -13.334 12.812 12.812 188 2HG ARG 27 HG2 ARG 27 -14.457 13.315 13.315 189 1HD ARG 27 HD2 ARG 27 -12.914 14.941 14.941 190 2HD ARG 27 HD1 ARG 27 -13.335 15.272 15.272 191 HE ARG 27 HE ARG 27 -15.318 16.238 16.238 192 1HH1 ARG 27 HH21 ARG 27 -13.668 14.749 14.749 193 2HH1 ARG 27 HH22 ARG 27 -14.663 15.505 15.505 194 1HH2 ARG 27 HH11 ARG 27 -16.634 17.236 17.236 195 2HH2 ARG 27 HH12 ARG 27 -16.350 16.918 16.918 196 H ARG 28 HN ARG 28 -17.372 12.262 12.262 197 HA ARG 28 HA ARG 28 -19.740 12.500 12.500 198 1HB ARG 28 HB2 ARG 28 -19.553 13.261 13.261 199 2HB ARG 28 HB1 ARG 28 -19.286 11.620 11.620 200 1HG ARG 28 HG2 ARG 28 -21.811 12.301 12.301 201 2HG ARG 28 HG1 ARG 28 -21.619 12.717 12.717 202 1HD ARG 28 HD1 ARG 28 -20.822 10.204 10.204 203 2HD ARG 28 HD2 ARG 28 -21.803 10.048 10.048 204 HE ARG 28 HE ARG 28 -23.628 10.088 10.088 205 1HH1 ARG 28 HH21 ARG 28 -21.065 11.824 11.824 206 2HH1 ARG 28 HH22 ARG 28 -21.994 12.152 12.152 207 1HH2 ARG 28 HH11 ARG 28 -24.862 10.510 10.510 208 2HH2 ARG 28 HH12 ARG 28 -24.155 11.407 11.407 209 H LEU 29 HN LEU 29 -18.479 9.605 9.605 210 HA LEU 29 HA LEU 29 -20.599 7.893 7.893 211 1HB LEU 29 HB2 LEU 29 -17.638 7.399 7.399 212 2HB LEU 29 HB1 LEU 29 -18.781 6.085 6.085 213 HG LEU 29 HG LEU 29 -18.906 8.015 8.015 214 1HD1 LEU 29 HD13 LEU 29 -17.515 5.348 5.348 215 2HD1 LEU 29 HD12 LEU 29 -17.830 6.230 6.230 216 3HD1 LEU 29 HD11 LEU 29 -16.761 6.919 6.919 217 1HD2 LEU 29 HD23 LEU 29 -20.176 5.352 5.352 218 2HD2 LEU 29 HD22 LEU 29 -20.975 6.901 6.901 219 3HD2 LEU 29 HD21 LEU 29 -20.164 6.089 6.089 220 H LEU 30 HN LEU 30 -17.730 8.261 8.261 221 HA LEU 30 HA LEU 30 -18.839 6.633 6.633 222 1HB LEU 30 HB1 LEU 30 -16.503 8.536 8.536 223 2HB LEU 30 HB2 LEU 30 -16.890 7.337 7.337 224 HG LEU 30 HG LEU 30 -16.135 6.722 6.722 225 1HD1 LEU 30 HD12 LEU 30 -14.496 7.520 7.520 226 2HD1 LEU 30 HD11 LEU 30 -14.346 5.763 5.763 227 3HD1 LEU 30 HD13 LEU 30 -13.999 6.718 6.718 228 1HD2 LEU 30 HD21 LEU 30 -17.477 5.172 5.172 229 2HD2 LEU 30 HD23 LEU 30 -16.873 4.666 4.666 230 3HD2 LEU 30 HD22 LEU 30 -15.840 4.533 4.533 231 H HIS 31 HN HIS 31 -18.118 10.132 10.132 232 HA HIS 31 HA HIS 31 -19.460 10.644 10.644 233 1HB HIS 31 HB1 HIS 31 -18.730 12.813 12.813 234 2HB HIS 31 HB2 HIS 31 -17.566 11.983 11.983 235 HD2 HIS 31 HD2 HIS 31 -17.169 13.371 13.371 236 HE1 HIS 31 HE1 HIS 31 -21.080 14.935 14.935 237 HE2 HIS 31 HE2 HIS 31 -18.804 14.709 14.709 238 H ARG 32 HN ARG 32 -20.841 9.739 9.739 239 HA ARG 32 HA ARG 32 -23.325 11.093 11.093 240 1HB ARG 32 HB2 ARG 32 -21.775 11.960 11.960 241 2HB ARG 32 HB1 ARG 32 -23.092 11.031 11.031 242 1HG ARG 32 HG1 ARG 32 -23.869 12.942 12.942 243 2HG ARG 32 HG2 ARG 32 -23.242 13.649 13.649 244 1HD ARG 32 HD1 ARG 32 -24.899 12.536 12.536 245 2HD ARG 32 HD2 ARG 32 -25.427 11.579 11.579 246 HE ARG 32 HE ARG 32 -26.661 13.372 13.372 247 1HH1 ARG 32 HH11 ARG 32 -24.539 14.381 14.381 248 2HH1 ARG 32 HH12 ARG 32 -25.275 15.940 15.940 249 1HH2 ARG 32 HH21 ARG 32 -27.638 15.423 15.423 250 2HH2 ARG 32 HH22 ARG 32 -27.037 16.533 16.533 251 H GLU 33 HN GLU 33 -22.200 9.131 9.131 252 HA GLU 33 HA GLU 33 -24.498 7.575 7.575 253 1HB GLU 33 HB2 GLU 33 -22.474 7.814 7.814 254 2HB GLU 33 HB1 GLU 33 -21.791 6.479 6.479 255 1HG GLU 33 HG2 GLU 33 -24.545 6.246 6.246 256 2HG GLU 33 HG1 GLU 33 -23.147 6.025 6.025 257 H LEU 34 HN LEU 34 -22.043 7.490 7.490 258 HA LEU 34 HA LEU 34 -21.465 6.006 6.006 259 1HB LEU 34 HB1 LEU 34 -24.394 6.180 6.180 260 2HB LEU 34 HB2 LEU 34 -23.792 4.772 4.772 261 HG LEU 34 HG LEU 34 -23.385 7.675 7.675 262 1HD1 LEU 34 HD13 LEU 34 -25.367 6.228 6.228 263 2HD1 LEU 34 HD12 LEU 34 -24.178 5.459 5.459 264 3HD1 LEU 34 HD11 LEU 34 -24.485 7.190 7.190 265 1HD2 LEU 34 HD23 LEU 34 -21.688 5.332 5.332 266 2HD2 LEU 34 HD22 LEU 34 -21.231 7.008 7.008 267 3HD2 LEU 34 HD21 LEU 34 -21.976 6.566 6.566 268 H VAL 35 HN VAL 35 -20.899 4.934 4.934 269 HA VAL 35 HA VAL 35 -22.028 2.343 2.343 270 HB VAL 35 HB VAL 35 -19.325 3.140 3.140 271 1HG1 VAL 35 HG13 VAL 35 -20.291 0.844 0.844 272 2HG1 VAL 35 HG12 VAL 35 -21.546 1.608 1.608 273 3HG1 VAL 35 HG11 VAL 35 -19.857 1.719 1.719 274 1HG2 VAL 35 HG22 VAL 35 -21.843 4.501 4.501 275 2HG2 VAL 35 HG21 VAL 35 -20.203 4.966 4.966 276 3HG2 VAL 35 HG23 VAL 35 -21.124 3.874 3.874 277 H HIS 36 HN HIS 36 -20.971 0.310 0.310 278 HA HIS 36 HA HIS 36 -19.760 -0.023 -0.023 279 1HB HIS 36 HB1 HIS 36 -21.045 -1.697 -1.697 280 2HB HIS 36 HB2 HIS 36 -19.391 -2.133 -2.133 281 HD2 HIS 36 HD2 HIS 36 -20.992 -1.519 -1.519 282 HE1 HIS 36 HE1 HIS 36 -19.039 -5.271 -5.271 283 HE2 HIS 36 HE2 HIS 36 -20.473 -3.714 -3.714 284 HA PRO 37 HA PRO 37 -15.526 0.839 0.839 285 1HB PRO 37 HB2 PRO 37 -14.374 -0.329 -0.329 286 2HB PRO 37 HB1 PRO 37 -15.265 1.195 1.195 287 1HG PRO 37 HG2 PRO 37 -16.175 -1.582 -1.582 288 2HG PRO 37 HG1 PRO 37 -16.434 -0.077 -0.077 289 1HD PRO 37 HD2 PRO 37 -18.330 -1.168 -1.168 290 2HD PRO 37 HD1 PRO 37 -18.174 0.584 0.584 291 H ASP 38 HN ASP 38 -16.448 -2.449 -2.449 292 HA ASP 38 HA ASP 38 -14.142 -3.558 -3.558 293 1HB ASP 38 HB2 ASP 38 -16.213 -5.333 -5.333 294 2HB ASP 38 HB1 ASP 38 -15.285 -4.334 -4.334 295 H ALA 39 HN ALA 39 -16.242 -2.216 -2.216 296 HA ALA 39 HA ALA 39 -17.950 -4.092 -4.092 297 1HB ALA 39 HB2 ALA 39 -17.389 -1.302 -1.302 298 2HB ALA 39 HB1 ALA 39 -17.400 -2.020 -2.020 299 3HB ALA 39 HB3 ALA 39 -18.803 -2.197 -2.197 300 H LEU 40 HN LEU 40 -17.413 -5.721 -5.721 301 HA LEU 40 HA LEU 40 -15.005 -5.462 -5.462 302 1HB LEU 40 HB1 LEU 40 -16.085 -8.093 -8.093 303 2HB LEU 40 HB2 LEU 40 -14.494 -7.733 -7.733 304 HG LEU 40 HG LEU 40 -14.724 -6.151 -6.151 305 1HD1 LEU 40 HD13 LEU 40 -16.675 -7.913 -7.913 306 2HD1 LEU 40 HD12 LEU 40 -15.324 -8.914 -8.914 307 3HD1 LEU 40 HD11 LEU 40 -15.644 -7.370 -7.370 308 1HD2 LEU 40 HD21 LEU 40 -13.080 -8.251 -8.251 309 2HD2 LEU 40 HD23 LEU 40 -12.647 -6.931 -6.931 310 3HD2 LEU 40 HD22 LEU 40 -13.275 -8.443 -8.443 311 H ASN 41 HN ASN 41 -15.340 -5.565 -5.565 312 HA ASN 41 HA ASN 41 -17.888 -5.839 -5.839 313 1HB ASN 41 HB2 ASN 41 -16.497 -6.162 -6.162 314 2HB ASN 41 HB1 ASN 41 -16.379 -4.631 -4.631 315 1HD2 ASN 41 HD22 ASN 41 -12.939 -4.941 -4.941 316 2HD2 ASN 41 HD21 ASN 41 -14.364 -4.056 -4.056 317 H ARG 42 HN ARG 42 -17.999 -7.461 -7.461 318 HA ARG 42 HA ARG 42 -18.781 -9.898 -9.898 319 1HB ARG 42 HB2 ARG 42 -18.157 -10.734 -10.734 320 2HB ARG 42 HB1 ARG 42 -19.291 -9.397 -9.397 321 1HG ARG 42 HG2 ARG 42 -17.558 -7.814 -7.814 322 2HG ARG 42 HG1 ARG 42 -16.343 -9.095 -9.095 323 1HD ARG 42 HD1 ARG 42 -17.105 -10.009 -10.009 324 2HD ARG 42 HD2 ARG 42 -18.714 -9.309 -9.309 325 HE ARG 42 HE ARG 42 -16.908 -7.210 -7.210 326 1HH1 ARG 42 HH21 ARG 42 -18.122 -9.894 -9.894 327 2HH1 ARG 42 HH22 ARG 42 -17.905 -9.101 -9.101 328 1HH2 ARG 42 HH11 ARG 42 -16.620 -6.158 -6.158 329 2HH2 ARG 42 HH12 ARG 42 -17.050 -6.977 -6.977 330 H PHE 43 HN PHE 43 -15.503 -9.076 -9.076 331 HA PHE 43 HA PHE 43 -14.282 -11.525 -11.525 332 1HB PHE 43 HB2 PHE 43 -12.943 -9.071 -9.071 333 2HB PHE 43 HB1 PHE 43 -12.220 -10.396 -10.396 334 HD1 PHE 43 HD1 PHE 43 -14.046 -10.628 -10.628 335 HD2 PHE 43 HD2 PHE 43 -12.490 -7.170 -7.170 336 HE1 PHE 43 HE1 PHE 43 -14.301 -9.340 -9.340 337 HE2 PHE 43 HE2 PHE 43 -12.743 -5.876 -5.876 338 HZ PHE 43 HZ PHE 43 -13.650 -6.961 -6.961 339 H GLY 44 HN GLY 44 -14.285 -9.205 -9.205 340 1HA GLY 44 HA2 GLY 44 -15.111 -10.143 -10.143 341 2HA GLY 44 HA1 GLY 44 -14.093 -11.531 -11.531 342 H LYS 45 HN LYS 45 -12.966 -8.354 -8.354 343 HA LYS 45 HA LYS 45 -11.026 -8.540 -8.540 344 1HB LYS 45 HB2 LYS 45 -10.740 -7.987 -7.987 345 2HB LYS 45 HB1 LYS 45 -10.136 -6.633 -6.633 346 1HG LYS 45 HG1 LYS 45 -8.794 -8.322 -8.322 347 2HG LYS 45 HG2 LYS 45 -9.230 -9.495 -9.495 348 1HD LYS 45 HD2 LYS 45 -8.088 -6.885 -6.885 349 2HD LYS 45 HD1 LYS 45 -7.001 -8.082 -8.082 350 1HE LYS 45 HE2 LYS 45 -7.015 -9.315 -9.315 351 2HE LYS 45 HE1 LYS 45 -8.775 -9.275 -9.275 352 1HZ LYS 45 HZ1 LYS 45 -7.654 -6.764 -6.764 353 2HZ LYS 45 HZ3 LYS 45 -7.010 -8.000 -8.000 354 3HZ LYS 45 HZ2 LYS 45 -8.684 -7.767 -7.767 355 H THR 46 HN THR 46 -10.240 -6.431 -6.431 356 HA THR 46 HA THR 46 -12.513 -4.731 -4.731 357 HB THR 46 HB THR 46 -11.185 -3.778 -3.778 358 HG1 THR 46 HG1 THR 46 -9.252 -3.355 -3.355 359 1HG2 THR 46 HG21 THR 46 -10.890 -6.708 -6.708 360 2HG2 THR 46 HG23 THR 46 -9.943 -5.906 -5.906 361 3HG2 THR 46 HG22 THR 46 -11.703 -5.776 -5.776 362 H ALA 47 HN ALA 47 -12.533 -2.454 -2.454 363 HA ALA 47 HA ALA 47 -11.799 -1.524 -1.524 364 1HB ALA 47 HB1 ALA 47 -13.498 -0.472 -0.472 365 2HB ALA 47 HB3 ALA 47 -12.214 0.148 0.148 366 3HB ALA 47 HB2 ALA 47 -12.340 0.697 0.697 367 H LEU 48 HN LEU 48 -9.928 -1.721 -1.721 368 HA LEU 48 HA LEU 48 -7.913 0.155 0.155 369 1HB LEU 48 HB1 LEU 48 -8.358 -1.808 -1.808 370 2HB LEU 48 HB2 LEU 48 -6.682 -1.465 -1.465 371 HG LEU 48 HG LEU 48 -8.791 0.447 0.447 372 1HD1 LEU 48 HD11 LEU 48 -7.393 -1.026 -1.026 373 2HD1 LEU 48 HD13 LEU 48 -6.034 -0.004 -0.004 374 3HD1 LEU 48 HD12 LEU 48 -7.438 0.706 0.706 375 1HD2 LEU 48 HD22 LEU 48 -6.301 0.984 0.984 376 2HD2 LEU 48 HD21 LEU 48 -7.822 1.875 1.875 377 3HD2 LEU 48 HD23 LEU 48 -6.674 2.034 2.034 378 H GLN 49 HN GLN 49 -8.257 -3.357 -3.357 379 HA GLN 49 HA GLN 49 -5.649 -3.804 -3.804 380 1HB GLN 49 HB1 GLN 49 -7.936 -5.693 -5.693 381 2HB GLN 49 HB2 GLN 49 -6.242 -6.053 -6.053 382 1HG GLN 49 HG1 GLN 49 -7.092 -4.702 -4.702 383 2HG GLN 49 HG2 GLN 49 -8.422 -5.781 -5.781 384 1HE2 GLN 49 HE22 GLN 49 -4.821 -7.644 -7.644 385 2HE2 GLN 49 HE21 GLN 49 -4.963 -6.242 -6.242 386 H VAL 50 HN VAL 50 -8.380 -2.426 -2.426 387 HA VAL 50 HA VAL 50 -7.379 -2.944 -2.944 388 HB VAL 50 HB VAL 50 -9.726 -3.017 -3.017 389 1HG1 VAL 50 HG12 VAL 50 -8.714 -5.114 -5.114 390 2HG1 VAL 50 HG11 VAL 50 -10.199 -5.338 -5.338 391 3HG1 VAL 50 HG13 VAL 50 -8.665 -5.102 -5.102 392 1HG2 VAL 50 HG23 VAL 50 -10.372 -2.087 -2.087 393 2HG2 VAL 50 HG22 VAL 50 -11.511 -2.751 -2.751 394 3HG2 VAL 50 HG21 VAL 50 -10.839 -3.786 -3.786 395 H MET 51 HN MET 51 -7.216 -0.673 -0.673 396 HA MET 51 HA MET 51 -8.886 1.423 1.423 397 1HB MET 51 HB2 MET 51 -7.077 1.079 1.079 398 2HB MET 51 HB1 MET 51 -6.393 2.366 2.366 399 1HG MET 51 HG2 MET 51 -8.691 3.444 3.444 400 2HG MET 51 HG1 MET 51 -9.062 2.281 2.281 401 1HE MET 51 HE2 MET 51 -6.678 1.771 1.771 402 2HE MET 51 HE1 MET 51 -5.367 2.818 2.818 403 3HE MET 51 HE3 MET 51 -6.088 3.063 3.063 404 H MET 52 HN MET 52 -7.518 3.551 3.551 405 HA MET 52 HA MET 52 -5.986 2.767 2.767 406 1HB MET 52 HB2 MET 52 -8.326 4.161 4.161 407 2HB MET 52 HB1 MET 52 -7.154 5.468 5.468 408 1HG MET 52 HG1 MET 52 -6.083 4.165 4.165 409 2HG MET 52 HG2 MET 52 -7.678 3.422 3.422 410 1HE MET 52 HE3 MET 52 -5.881 6.846 6.846 411 2HE MET 52 HE2 MET 52 -7.068 7.987 7.987 412 3HE MET 52 HE1 MET 52 -7.375 7.145 7.145 413 H PHE 53 HN PHE 53 -5.811 4.281 4.281 414 HA PHE 53 HA PHE 53 -4.318 5.654 5.654 415 1HB PHE 53 HB2 PHE 53 -2.493 4.368 4.368 416 2HB PHE 53 HB1 PHE 53 -1.940 5.292 5.292 417 HD1 PHE 53 HD1 PHE 53 -4.155 2.404 2.404 418 HD2 PHE 53 HD2 PHE 53 -1.391 4.148 4.148 419 HE1 PHE 53 HE1 PHE 53 -4.239 0.362 0.362 420 HE2 PHE 53 HE2 PHE 53 -1.472 2.107 2.107 421 HZ PHE 53 HZ PHE 53 -2.896 0.214 0.214 422 H GLY 54 HN GLY 54 -5.738 6.625 6.625 423 1HA GLY 54 HA2 GLY 54 -3.965 8.444 8.444 424 2HA GLY 54 HA1 GLY 54 -5.722 8.465 8.465 425 H SER 55 HN SER 55 -6.595 8.961 8.961 426 HA SER 55 HA SER 55 -5.450 11.587 11.587 427 1HB SER 55 HB2 SER 55 -7.713 11.938 11.938 428 2HB SER 55 HB1 SER 55 -8.180 10.381 10.381 429 HG SER 55 HG SER 55 -7.223 12.617 12.617 430 HA PRO 56 HA PRO 56 -3.765 9.984 9.984 431 1HB PRO 56 HB1 PRO 56 -3.498 12.328 12.328 432 2HB PRO 56 HB2 PRO 56 -2.410 11.830 11.830 433 1HG PRO 56 HG1 PRO 56 -4.726 13.722 13.722 434 2HG PRO 56 HG2 PRO 56 -3.132 13.866 13.866 435 1HD PRO 56 HD1 PRO 56 -5.335 13.087 13.087 436 2HD PRO 56 HD2 PRO 56 -3.710 12.490 12.490 437 H ALA 57 HN ALA 57 -6.222 12.533 12.533 438 HA ALA 57 HA ALA 57 -7.031 11.689 11.689 439 1HB ALA 57 HB1 ALA 57 -7.721 13.748 13.748 440 2HB ALA 57 HB3 ALA 57 -9.212 12.937 12.937 441 3HB ALA 57 HB2 ALA 57 -8.138 13.608 13.608 442 H VAL 58 HN VAL 58 -7.661 10.400 10.400 443 HA VAL 58 HA VAL 58 -10.189 9.252 9.252 444 HB VAL 58 HB VAL 58 -7.935 8.818 8.818 445 1HG1 VAL 58 HG13 VAL 58 -9.827 6.699 6.699 446 2HG1 VAL 58 HG12 VAL 58 -9.613 6.957 6.957 447 3HG1 VAL 58 HG11 VAL 58 -8.220 6.588 6.588 448 1HG2 VAL 58 HG21 VAL 58 -10.899 9.228 9.228 449 2HG2 VAL 58 HG23 VAL 58 -9.646 10.459 10.459 450 3HG2 VAL 58 HG22 VAL 58 -9.726 9.134 9.134 451 H ALA 59 HN ALA 59 -6.941 7.792 7.792 452 HA ALA 59 HA ALA 59 -7.825 5.339 5.339 453 1HB ALA 59 HB3 ALA 59 -5.175 6.739 6.739 454 2HB ALA 59 HB2 ALA 59 -5.396 5.206 5.206 455 3HB ALA 59 HB1 ALA 59 -5.678 5.304 5.304 456 H LEU 60 HN LEU 60 -6.867 8.366 8.366 457 HA LEU 60 HA LEU 60 -6.772 7.449 7.449 458 1HB LEU 60 HB2 LEU 60 -5.820 9.583 9.583 459 2HB LEU 60 HB1 LEU 60 -7.397 10.184 10.184 460 HG LEU 60 HG LEU 60 -8.080 9.839 9.839 461 1HD1 LEU 60 HD23 LEU 60 -5.565 8.680 8.680 462 2HD1 LEU 60 HD22 LEU 60 -5.375 10.246 10.246 463 3HD1 LEU 60 HD21 LEU 60 -6.607 9.117 9.117 464 1HD2 LEU 60 HD11 LEU 60 -7.014 11.980 11.980 465 2HD2 LEU 60 HD13 LEU 60 -7.800 12.040 12.040 466 3HD2 LEU 60 HD12 LEU 60 -6.044 11.913 11.913 467 H GLU 61 HN GLU 61 -9.381 9.068 9.068 468 HA GLU 61 HA GLU 61 -11.278 8.988 8.988 469 1HB GLU 61 HB1 GLU 61 -11.333 9.448 9.448 470 2HB GLU 61 HB2 GLU 61 -12.858 9.007 9.007 471 1HG GLU 61 HG2 GLU 61 -11.140 11.404 11.404 472 2HG GLU 61 HG1 GLU 61 -12.825 11.342 11.342 473 H LEU 62 HN LEU 62 -10.930 6.841 6.841 474 HA LEU 62 HA LEU 62 -12.993 5.088 5.088 475 1HB LEU 62 HB2 LEU 62 -12.551 4.135 4.135 476 2HB LEU 62 HB1 LEU 62 -11.334 5.376 5.376 477 HG LEU 62 HG LEU 62 -9.670 3.789 3.789 478 1HD1 LEU 62 HD21 LEU 62 -12.021 2.299 2.299 479 2HD1 LEU 62 HD23 LEU 62 -11.040 1.379 1.379 480 3HD1 LEU 62 HD22 LEU 62 -10.355 1.886 1.886 481 1HD2 LEU 62 HD11 LEU 62 -10.166 4.176 4.176 482 2HD2 LEU 62 HD13 LEU 62 -9.180 2.793 2.793 483 3HD2 LEU 62 HD12 LEU 62 -10.880 2.564 2.564 484 H LEU 63 HN LEU 63 -9.464 4.764 4.764 485 HA LEU 63 HA LEU 63 -9.608 2.329 2.329 486 1HB LEU 63 HB2 LEU 63 -7.333 2.511 2.511 487 2HB LEU 63 HB1 LEU 63 -7.577 3.479 3.479 488 HG LEU 63 HG LEU 63 -7.621 5.508 5.508 489 1HD1 LEU 63 HD12 LEU 63 -7.482 3.474 3.474 490 2HD1 LEU 63 HD11 LEU 63 -5.953 4.352 4.352 491 3HD1 LEU 63 HD13 LEU 63 -7.474 5.221 5.221 492 1HD2 LEU 63 HD23 LEU 63 -5.698 4.613 4.613 493 2HD2 LEU 63 HD22 LEU 63 -5.330 5.795 5.795 494 3HD2 LEU 63 HD21 LEU 63 -4.991 4.087 4.087 495 H LYS 64 HN LYS 64 -9.273 5.670 5.670 496 HA LYS 64 HA LYS 64 -9.334 5.003 5.003 497 1HB LYS 64 HB1 LYS 64 -8.555 7.185 7.185 498 2HB LYS 64 HB2 LYS 64 -10.255 7.623 7.623 499 1HG LYS 64 HG1 LYS 64 -10.439 7.378 7.378 500 2HG LYS 64 HG2 LYS 64 -8.710 7.034 7.034 501 1HD LYS 64 HD2 LYS 64 -9.051 9.409 9.409 502 2HD LYS 64 HD1 LYS 64 -10.026 9.561 9.561 503 1HE LYS 64 HE2 LYS 64 -7.890 8.671 8.671 504 2HE LYS 64 HE1 LYS 64 -7.072 9.197 9.197 505 1HZ LYS 64 HZ3 LYS 64 -8.810 11.228 11.228 506 2HZ LYS 64 HZ2 LYS 64 -7.811 10.753 10.753 507 3HZ LYS 64 HZ1 LYS 64 -7.128 11.275 11.275 508 H GLN 65 HN GLN 65 -11.262 3.410 3.410 509 HA GLN 65 HA GLN 65 -13.612 4.508 4.508 510 1HB GLN 65 HB2 GLN 65 -13.541 4.739 4.739 511 2HB GLN 65 HB1 GLN 65 -14.281 3.152 3.152 512 1HG GLN 65 HG1 GLN 65 -15.927 4.967 4.967 513 2HG GLN 65 HG2 GLN 65 -16.058 4.069 4.069 514 1HE2 GLN 65 HE22 GLN 65 -16.157 7.084 7.084 515 2HE2 GLN 65 HE21 GLN 65 -16.905 5.573 5.573 516 H GLY 66 HN GLY 66 -12.070 1.770 1.770 517 1HA GLY 66 HA2 GLY 66 -12.162 -0.089 -0.089 518 2HA GLY 66 HA1 GLY 66 -13.819 -0.126 -0.126 519 H ALA 67 HN ALA 67 -10.900 0.393 0.393 520 HA ALA 67 HA ALA 67 -11.629 -1.954 -1.954 521 1HB ALA 67 HB3 ALA 67 -10.390 0.634 0.634 522 2HB ALA 67 HB2 ALA 67 -9.624 -0.736 -0.736 523 3HB ALA 67 HB1 ALA 67 -11.345 -0.428 -0.428 524 H SER 68 HN SER 68 -9.690 -1.292 -1.292 525 HA SER 68 HA SER 68 -7.719 -2.105 -2.105 526 1HB SER 68 HB2 SER 68 -9.155 -4.404 -4.404 527 2HB SER 68 HB1 SER 68 -7.520 -4.674 -4.674 528 HG SER 68 HG SER 68 -9.841 -3.959 -3.959 529 HA PRO 69 HA PRO 69 -5.308 -1.123 -1.123 530 1HB PRO 69 HB1 PRO 69 -3.479 -0.445 -0.445 531 2HB PRO 69 HB2 PRO 69 -3.788 0.437 0.437 532 1HG PRO 69 HG1 PRO 69 -4.857 1.250 1.250 533 2HG PRO 69 HG2 PRO 69 -5.775 1.341 1.341 534 1HD PRO 69 HD1 PRO 69 -6.053 -0.561 -0.561 535 2HD PRO 69 HD2 PRO 69 -7.292 0.077 0.077 536 H ASN 70 HN ASN 70 -4.529 -2.940 -2.940 537 HA ASN 70 HA ASN 70 -2.251 -4.253 -4.253 538 1HB ASN 70 HB2 ASN 70 -3.774 -4.634 -4.634 539 2HB ASN 70 HB1 ASN 70 -2.461 -5.706 -5.706 540 1HD2 ASN 70 HD22 ASN 70 -1.057 -3.116 -3.116 541 2HD2 ASN 70 HD21 ASN 70 -2.238 -4.370 -4.370 542 H VAL 71 HN VAL 71 -3.453 -4.976 -4.976 543 HA VAL 71 HA VAL 71 -4.960 -7.455 -7.455 544 HB VAL 71 HB VAL 71 -6.104 -7.148 -7.148 545 1HG1 VAL 71 HG21 VAL 71 -6.407 -5.509 -5.509 546 2HG1 VAL 71 HG23 VAL 71 -6.640 -4.465 -4.465 547 3HG1 VAL 71 HG22 VAL 71 -7.624 -5.917 -5.917 548 1HG2 VAL 71 HG11 VAL 71 -4.285 -6.059 -6.059 549 2HG2 VAL 71 HG13 VAL 71 -5.791 -5.152 -5.152 550 3HG2 VAL 71 HG12 VAL 71 -4.522 -4.593 -4.593 551 H GLN 72 HN GLN 72 -4.565 -9.258 -9.258 552 HA GLN 72 HA GLN 72 -2.271 -9.121 -9.121 553 1HB GLN 72 HB2 GLN 72 -2.442 -11.230 -11.230 554 2HB GLN 72 HB1 GLN 72 -1.114 -10.943 -10.943 555 1HG GLN 72 HG2 GLN 72 -0.656 -8.808 -8.808 556 2HG GLN 72 HG1 GLN 72 -2.005 -9.067 -9.067 557 1HE2 GLN 72 HE22 GLN 72 1.467 -11.179 -11.179 558 2HE2 GLN 72 HE21 GLN 72 1.051 -10.488 -10.488 559 H ASP 73 HN ASP 73 -2.475 -10.400 -10.400 560 HA ASP 73 HA ASP 73 -4.853 -12.119 -12.119 561 1HB ASP 73 HB2 ASP 73 -3.496 -10.355 -10.355 562 2HB ASP 73 HB1 ASP 73 -3.940 -11.922 -11.922 563 H ALA 74 HN ALA 74 -4.663 -14.255 -14.255 564 HA ALA 74 HA ALA 74 -3.624 -16.298 -16.298 565 1HB ALA 74 HB3 ALA 74 -2.949 -15.096 -15.096 566 2HB ALA 74 HB2 ALA 74 -2.123 -16.588 -16.588 567 3HB ALA 74 HB1 ALA 74 -3.885 -16.542 -16.542 568 H SER 75 HN SER 75 -0.883 -14.987 -14.987 569 HA SER 75 HA SER 75 0.910 -15.929 -15.929 570 1HB SER 75 HB1 SER 75 1.394 -14.481 -14.481 571 2HB SER 75 HB2 SER 75 2.682 -15.044 -15.044 572 HG SER 75 HG SER 75 0.840 -16.980 -16.980 573 H GLY 76 HN GLY 76 1.342 -12.847 -12.847 574 1HA GLY 76 HA1 GLY 76 0.739 -11.193 -11.193 575 2HA GLY 76 HA2 GLY 76 2.463 -11.531 -11.531 576 H THR 77 HN THR 77 -0.134 -10.568 -10.568 577 HA THR 77 HA THR 77 1.766 -8.664 -8.664 578 HB THR 77 HB THR 77 -0.681 -9.468 -9.468 579 HG1 THR 77 HG1 THR 77 1.561 -11.165 -11.165 580 1HG2 THR 77 HG21 THR 77 0.913 -7.909 -7.909 581 2HG2 THR 77 HG23 THR 77 2.179 -9.130 -9.130 582 3HG2 THR 77 HG22 THR 77 0.791 -9.408 -9.408 583 H SER 78 HN SER 78 0.436 -7.927 -7.927 584 HA SER 78 HA SER 78 -2.033 -6.708 -6.708 585 1HB SER 78 HB2 SER 78 -0.066 -5.175 -5.175 586 2HB SER 78 HB1 SER 78 -1.608 -5.873 -5.873 587 HG SER 78 HG SER 78 0.572 -6.783 -6.783 588 HA PRO 79 HA PRO 79 -1.962 -3.143 -3.143 589 1HB PRO 79 HB1 PRO 79 -2.402 -1.154 -1.154 590 2HB PRO 79 HB2 PRO 79 -3.617 -1.933 -1.933 591 1HG PRO 79 HG2 PRO 79 -2.834 -2.509 -2.509 592 2HG PRO 79 HG1 PRO 79 -4.398 -2.733 -2.733 593 1HD PRO 79 HD1 PRO 79 -2.807 -4.811 -4.811 594 2HD PRO 79 HD2 PRO 79 -3.795 -4.788 -4.788 595 H VAL 80 HN VAL 80 -0.167 -2.977 -2.977 596 HA VAL 80 HA VAL 80 1.431 -0.775 -0.775 597 HB VAL 80 HB VAL 80 1.339 -2.879 -2.879 598 1HG1 VAL 80 HG11 VAL 80 4.123 -2.554 -2.554 599 2HG1 VAL 80 HG13 VAL 80 3.727 -3.334 -3.334 600 3HG1 VAL 80 HG12 VAL 80 3.156 -4.029 -4.029 601 1HG2 VAL 80 HG21 VAL 80 2.879 -0.309 -0.309 602 2HG2 VAL 80 HG23 VAL 80 1.367 -0.635 -0.635 603 3HG2 VAL 80 HG22 VAL 80 2.877 -1.330 -1.330 604 H HIS 81 HN HIS 81 1.953 -4.130 -4.130 605 HA HIS 81 HA HIS 81 4.443 -3.581 -3.581 606 1HB HIS 81 HB2 HIS 81 2.600 -5.929 -5.929 607 2HB HIS 81 HB1 HIS 81 4.327 -5.848 -5.848 608 HD2 HIS 81 HD2 HIS 81 6.003 -6.133 -6.133 609 HE1 HIS 81 HE1 HIS 81 2.885 -7.220 -7.220 610 HE2 HIS 81 HE2 HIS 81 5.389 -6.910 -6.910 611 H ASP 82 HN ASP 82 1.090 -3.814 -3.814 612 HA ASP 82 HA ASP 82 1.653 -3.652 -3.652 613 1HB ASP 82 HB2 ASP 82 -0.622 -4.053 -4.053 614 2HB ASP 82 HB1 ASP 82 -0.946 -2.588 -2.588 615 H ALA 83 HN ALA 83 0.025 -1.217 -1.217 616 HA ALA 83 HA ALA 83 0.223 0.907 0.907 617 1HB ALA 83 HB1 ALA 83 -0.121 0.655 0.655 618 2HB ALA 83 HB3 ALA 83 0.310 2.245 2.245 619 3HB ALA 83 HB2 ALA 83 -1.149 1.436 1.436 620 H ALA 84 HN ALA 84 2.715 -0.593 -0.593 621 HA ALA 84 HA ALA 84 4.496 1.628 1.628 622 1HB ALA 84 HB2 ALA 84 4.875 -1.338 -1.338 623 2HB ALA 84 HB1 ALA 84 6.210 -0.193 -0.193 624 3HB ALA 84 HB3 ALA 84 4.853 -0.102 -0.102 625 H ARG 85 HN ARG 85 4.719 -1.349 -1.349 626 HA ARG 85 HA ARG 85 6.700 -0.269 -0.269 627 1HB ARG 85 HB2 ARG 85 6.563 -2.312 -2.312 628 2HB ARG 85 HB1 ARG 85 6.311 -2.715 -2.715 629 1HG ARG 85 HG1 ARG 85 4.063 -3.169 -3.169 630 2HG ARG 85 HG2 ARG 85 3.972 -2.221 -2.221 631 1HD ARG 85 HD1 ARG 85 5.655 -3.989 -3.989 632 2HD ARG 85 HD2 ARG 85 5.059 -4.972 -4.972 633 HE ARG 85 HE ARG 85 3.162 -5.337 -5.337 634 1HH1 ARG 85 HH11 ARG 85 4.674 -2.431 -2.431 635 2HH1 ARG 85 HH12 ARG 85 3.540 -2.211 -2.211 636 1HH2 ARG 85 HH21 ARG 85 1.662 -5.056 -5.056 637 2HH2 ARG 85 HH22 ARG 85 1.828 -3.704 -3.704 638 H THR 86 HN THR 86 3.294 0.003 0.003 639 HA THR 86 HA THR 86 2.798 0.335 0.335 640 HB THR 86 HB THR 86 0.670 1.356 1.356 641 HG1 THR 86 HG1 THR 86 1.327 2.491 2.491 642 1HG2 THR 86 HG23 THR 86 1.586 -1.245 -1.245 643 2HG2 THR 86 HG22 THR 86 0.282 -0.599 -0.599 644 3HG2 THR 86 HG21 THR 86 0.060 -0.771 -0.771 645 H GLY 87 HN GLY 87 3.213 2.713 2.713 646 1HA GLY 87 HA1 GLY 87 4.682 4.629 4.629 647 2HA GLY 87 HA2 GLY 87 3.954 4.683 4.683 648 H PHE 88 HN PHE 88 3.009 4.822 4.822 649 HA PHE 88 HA PHE 88 1.503 7.244 7.244 650 1HB PHE 88 HB2 PHE 88 0.208 4.619 4.619 651 2HB PHE 88 HB1 PHE 88 -0.493 6.107 6.107 652 HD1 PHE 88 HD2 PHE 88 -0.757 8.025 8.025 653 HD2 PHE 88 HD1 PHE 88 -0.571 3.844 3.844 654 HE1 PHE 88 HE2 PHE 88 -1.915 8.397 8.397 655 HE2 PHE 88 HE1 PHE 88 -1.729 4.209 4.209 656 HZ PHE 88 HZ PHE 88 -2.402 6.488 6.488 657 H LEU 89 HN LEU 89 3.656 7.331 7.331 658 HA LEU 89 HA LEU 89 3.622 6.560 6.560 659 1HB LEU 89 HB2 LEU 89 5.677 7.267 7.267 660 2HB LEU 89 HB1 LEU 89 5.006 8.787 8.787 661 HG LEU 89 HG LEU 89 4.785 9.535 9.535 662 1HD1 LEU 89 HD22 LEU 89 5.259 6.781 6.781 663 2HD1 LEU 89 HD21 LEU 89 6.544 7.728 7.728 664 3HD1 LEU 89 HD23 LEU 89 4.858 8.070 8.070 665 1HD2 LEU 89 HD12 LEU 89 7.433 8.759 8.759 666 2HD2 LEU 89 HD11 LEU 89 6.712 10.359 10.359 667 3HD2 LEU 89 HD13 LEU 89 7.343 9.518 9.518 668 H ASP 90 HN ASP 90 1.694 8.876 8.876 669 HA ASP 90 HA ASP 90 1.381 10.747 10.747 670 1HB ASP 90 HB1 ASP 90 -0.698 10.093 10.093 671 2HB ASP 90 HB2 ASP 90 -0.472 11.613 11.613 672 H THR 91 HN THR 91 -1.145 8.526 8.526 673 HA THR 91 HA THR 91 -2.539 8.591 8.591 674 HB THR 91 HB THR 91 -2.827 6.549 6.549 675 HG1 THR 91 HG1 THR 91 -3.410 9.220 9.220 676 1HG2 THR 91 HG21 THR 91 -4.576 7.412 7.412 677 2HG2 THR 91 HG23 THR 91 -5.286 6.819 6.819 678 3HG2 THR 91 HG22 THR 91 -4.199 5.788 5.788 679 H LEU 92 HN LEU 92 -0.216 6.369 6.369 680 HA LEU 92 HA LEU 92 -0.512 4.176 4.176 681 1HB LEU 92 HB2 LEU 92 0.985 4.192 4.192 682 2HB LEU 92 HB1 LEU 92 2.035 5.344 5.344 683 HG LEU 92 HG LEU 92 2.384 3.568 3.568 684 1HD1 LEU 92 HD22 LEU 92 0.372 2.237 2.237 685 2HD1 LEU 92 HD21 LEU 92 1.401 1.680 1.680 686 3HD1 LEU 92 HD23 LEU 92 1.840 1.327 1.327 687 1HD2 LEU 92 HD11 LEU 92 3.952 4.189 4.189 688 2HD2 LEU 92 HD13 LEU 92 4.177 2.600 2.600 689 3HD2 LEU 92 HD12 LEU 92 3.353 2.748 2.748 690 H LYS 93 HN LYS 93 1.516 7.051 7.051 691 HA LYS 93 HA LYS 93 2.663 6.376 6.376 692 1HB LYS 93 HB1 LYS 93 2.763 8.554 8.554 693 2HB LYS 93 HB2 LYS 93 1.773 9.185 9.185 694 1HG LYS 93 HG2 LYS 93 3.564 8.380 8.380 695 2HG LYS 93 HG1 LYS 93 4.559 8.084 8.084 696 1HD LYS 93 HD2 LYS 93 3.280 10.752 10.752 697 2HD LYS 93 HD1 LYS 93 4.842 10.326 10.326 698 1HE LYS 93 HE1 LYS 93 5.920 10.471 10.471 699 2HE LYS 93 HE2 LYS 93 4.566 9.797 9.797 700 1HZ LYS 93 HZ2 LYS 93 3.442 11.970 11.970 701 2HZ LYS 93 HZ1 LYS 93 4.850 12.590 12.590 702 3HZ LYS 93 HZ3 LYS 93 4.867 12.057 12.057 703 H VAL 94 HN VAL 94 -0.464 7.927 7.927 704 HA VAL 94 HA VAL 94 -1.216 8.475 8.475 705 HB VAL 94 HB VAL 94 -3.313 7.398 7.398 706 1HG1 VAL 94 HG12 VAL 94 -3.028 9.351 9.351 707 2HG1 VAL 94 HG11 VAL 94 -4.060 9.873 9.873 708 3HG1 VAL 94 HG13 VAL 94 -4.417 8.374 8.374 709 1HG2 VAL 94 HG22 VAL 94 -1.722 9.896 9.896 710 2HG2 VAL 94 HG21 VAL 94 -1.968 8.517 8.517 711 3HG2 VAL 94 HG23 VAL 94 -3.317 9.582 9.582 712 H LEU 95 HN LEU 95 -2.128 5.564 5.564 713 HA LEU 95 HA LEU 95 -3.113 4.214 4.214 714 1HB LEU 95 HB1 LEU 95 -3.185 2.231 2.231 715 2HB LEU 95 HB2 LEU 95 -4.078 3.633 3.633 716 HG LEU 95 HG LEU 95 -1.579 3.954 3.954 717 1HD1 LEU 95 HD12 LEU 95 -1.358 1.462 1.462 718 2HD1 LEU 95 HD11 LEU 95 -2.349 1.149 1.149 719 3HD1 LEU 95 HD13 LEU 95 -0.790 1.959 1.959 720 1HD2 LEU 95 HD23 LEU 95 -4.166 3.986 3.986 721 2HD2 LEU 95 HD22 LEU 95 -2.797 4.079 4.079 722 3HD2 LEU 95 HD21 LEU 95 -3.596 2.532 2.532 723 H VAL 96 HN VAL 96 -0.106 4.101 4.101 724 HA VAL 96 HA VAL 96 1.018 1.884 1.884 725 HB VAL 96 HB VAL 96 2.206 4.093 4.093 726 1HG1 VAL 96 HG13 VAL 96 3.601 2.189 2.189 727 2HG1 VAL 96 HG12 VAL 96 4.252 2.359 2.359 728 3HG1 VAL 96 HG11 VAL 96 4.107 3.773 3.773 729 1HG2 VAL 96 HG21 VAL 96 1.609 1.184 1.184 730 2HG2 VAL 96 HG23 VAL 96 1.153 2.556 2.556 731 3HG2 VAL 96 HG22 VAL 96 2.822 1.986 1.986 732 H GLU 97 HN GLU 97 1.288 5.382 5.382 733 HA GLU 97 HA GLU 97 3.152 5.223 5.223 734 1HB GLU 97 HB2 GLU 97 2.842 7.538 7.538 735 2HB GLU 97 HB1 GLU 97 2.585 7.254 7.254 736 1HG GLU 97 HG1 GLU 97 0.100 7.124 7.124 737 2HG GLU 97 HG2 GLU 97 0.563 7.850 7.850 738 H HIS 98 HN HIS 98 -0.378 5.471 5.471 739 HA HIS 98 HA HIS 98 -0.906 5.792 5.792 740 1HB HIS 98 HB2 HIS 98 -2.686 6.020 6.020 741 2HB HIS 98 HB1 HIS 98 -2.479 4.363 4.363 742 HD2 HIS 98 HD2 HIS 98 -4.602 6.322 6.322 743 HE1 HIS 98 HE1 HIS 98 -4.846 2.269 2.269 744 HE2 HIS 98 HE2 HIS 98 -5.711 4.615 4.615 745 H GLY 99 HN GLY 99 0.231 3.024 3.024 746 1HA GLY 99 HA2 GLY 99 1.373 1.364 1.364 747 2HA GLY 99 HA1 GLY 99 -0.053 1.415 1.415 748 H ALA 100 HN ALA 100 0.392 1.123 1.123 749 HA ALA 100 HA ALA 100 -1.610 -0.972 -0.972 750 1HB ALA 100 HB1 ALA 100 -0.020 0.338 0.338 751 2HB ALA 100 HB3 ALA 100 -1.309 -0.842 -0.842 752 3HB ALA 100 HB2 ALA 100 -1.673 0.724 0.724 753 H ASP 101 HN ASP 101 0.235 -2.066 -2.066 754 HA ASP 101 HA ASP 101 1.941 -3.606 -3.606 755 1HB ASP 101 HB1 ASP 101 -0.305 -4.724 -4.724 756 2HB ASP 101 HB2 ASP 101 0.701 -5.080 -5.080 757 H VAL 102 HN VAL 102 3.085 -1.626 -1.626 758 HA VAL 102 HA VAL 102 4.062 -2.365 -2.365 759 HB VAL 102 HB VAL 102 3.855 0.008 0.008 760 1HG1 VAL 102 HG22 VAL 102 5.056 -0.397 -0.397 761 2HG1 VAL 102 HG21 VAL 102 6.526 -0.747 -0.747 762 3HG1 VAL 102 HG23 VAL 102 5.831 0.874 0.874 763 1HG2 VAL 102 HG13 VAL 102 6.262 -0.991 -0.991 764 2HG2 VAL 102 HG12 VAL 102 4.798 -0.248 -0.248 765 3HG2 VAL 102 HG11 VAL 102 5.958 0.728 0.728 766 H ASN 103 HN ASN 103 4.703 -3.640 -3.640 767 HA ASN 103 HA ASN 103 7.557 -4.067 -4.067 768 1HB ASN 103 HB2 ASN 103 6.047 -5.009 -5.009 769 2HB ASN 103 HB1 ASN 103 7.773 -4.702 -4.702 770 1HD2 ASN 103 HD22 ASN 103 7.571 -1.418 -1.418 771 2HD2 ASN 103 HD21 ASN 103 8.529 -2.805 -2.805 772 H ALA 104 HN ALA 104 5.666 -5.326 -5.326 773 HA ALA 104 HA ALA 104 6.006 -8.151 -8.151 774 1HB ALA 104 HB2 ALA 104 3.653 -7.477 -7.477 775 2HB ALA 104 HB1 ALA 104 3.885 -6.971 -6.971 776 3HB ALA 104 HB3 ALA 104 4.052 -8.672 -8.672 777 H LEU 105 HN LEU 105 5.739 -9.519 -9.519 778 HA LEU 105 HA LEU 105 7.603 -8.348 -8.348 779 1HB LEU 105 HB1 LEU 105 7.535 -11.263 -11.263 780 2HB LEU 105 HB2 LEU 105 8.727 -10.441 -10.441 781 HG LEU 105 HG LEU 105 8.321 -10.066 -10.066 782 1HD1 LEU 105 HD12 LEU 105 9.608 -12.107 -12.107 783 2HD1 LEU 105 HD11 LEU 105 10.912 -10.970 -10.970 784 3HD1 LEU 105 HD13 LEU 105 9.915 -11.588 -11.588 785 1HD2 LEU 105 HD21 LEU 105 9.219 -8.164 -8.164 786 2HD2 LEU 105 HD23 LEU 105 9.731 -8.318 -8.318 787 3HD2 LEU 105 HD22 LEU 105 10.722 -9.000 -9.000 788 H ASP 106 HN ASP 106 7.506 -10.813 -10.813 789 HA ASP 106 HA ASP 106 4.734 -10.981 -10.981 790 1HB ASP 106 HB1 ASP 106 6.441 -10.686 -10.686 791 2HB ASP 106 HB2 ASP 106 6.504 -9.257 -9.257 792 H SER 107 HN SER 107 5.191 -12.315 -12.315 793 HA SER 107 HA SER 107 5.480 -14.946 -14.946 794 1HB SER 107 HB2 SER 107 6.175 -14.068 -14.068 795 2HB SER 107 HB1 SER 107 5.376 -15.551 -15.551 796 HG SER 107 HG SER 107 4.064 -13.728 -13.728 797 H THR 108 HN THR 108 7.897 -12.625 -12.625 798 HA THR 108 HA THR 108 9.977 -14.697 -14.697 799 HB THR 108 HB THR 108 10.369 -11.841 -11.841 800 HG1 THR 108 HG1 THR 108 9.809 -12.405 -12.405 801 1HG2 THR 108 HG21 THR 108 12.369 -13.281 -13.281 802 2HG2 THR 108 HG23 THR 108 11.829 -14.313 -14.313 803 3HG2 THR 108 HG22 THR 108 12.253 -12.630 -12.630 804 H GLY 109 HN GLY 109 8.597 -13.574 -13.574 805 1HA GLY 109 HA2 GLY 109 9.058 -12.599 -12.599 806 2HA GLY 109 HA1 GLY 109 10.578 -13.459 -13.459 807 H SER 110 HN SER 110 9.385 -10.720 -10.720 808 HA SER 110 HA SER 110 11.708 -9.179 -9.179 809 1HB SER 110 HB2 SER 110 10.258 -8.939 -8.939 810 2HB SER 110 HB1 SER 110 11.667 -8.003 -8.003 811 HG SER 110 HG SER 110 11.505 -10.778 -10.778 812 H LEU 111 HN LEU 111 11.395 -7.227 -7.227 813 HA LEU 111 HA LEU 111 8.784 -6.444 -6.444 814 1HB LEU 111 HB2 LEU 111 11.536 -5.390 -5.390 815 2HB LEU 111 HB1 LEU 111 10.220 -4.253 -4.253 816 HG LEU 111 HG LEU 111 9.485 -6.502 -6.502 817 1HD1 LEU 111 HD13 LEU 111 11.830 -7.271 -7.271 818 2HD1 LEU 111 HD12 LEU 111 12.359 -5.784 -5.784 819 3HD1 LEU 111 HD11 LEU 111 11.362 -6.943 -6.943 820 1HD2 LEU 111 HD21 LEU 111 10.533 -3.770 -3.770 821 2HD2 LEU 111 HD23 LEU 111 8.892 -4.400 -4.400 822 3HD2 LEU 111 HD22 LEU 111 10.145 -4.911 -4.911 823 HA PRO 112 HA PRO 112 7.272 -3.708 -3.708 824 1HB PRO 112 HB2 PRO 112 7.261 -1.510 -1.510 825 2HB PRO 112 HB1 PRO 112 5.940 -2.133 -2.133 826 1HG PRO 112 HG1 PRO 112 6.070 -2.708 -2.708 827 2HG PRO 112 HG2 PRO 112 5.544 -3.927 -3.927 828 1HD PRO 112 HD2 PRO 112 8.173 -3.646 -3.646 829 2HD PRO 112 HD1 PRO 112 7.263 -5.114 -5.114 830 H ILE 113 HN ILE 113 9.966 -2.646 -2.646 831 HA ILE 113 HA ILE 113 10.714 -0.420 -0.420 832 HB ILE 113 HB ILE 113 11.529 -0.430 -0.430 833 1HG1 ILE 113 HG12 ILE 113 13.952 -0.250 -0.250 834 2HG1 ILE 113 HG11 ILE 113 13.852 -1.162 -1.162 835 1HG2 ILE 113 HG21 ILE 113 11.900 -3.235 -3.235 836 2HG2 ILE 113 HG23 ILE 113 13.372 -2.532 -2.532 837 3HG2 ILE 113 HG22 ILE 113 11.842 -2.363 -2.363 838 1HD1 ILE 113 HD11 ILE 113 12.398 0.663 0.663 839 2HD1 ILE 113 HD13 ILE 113 12.786 1.589 1.589 840 3HD1 ILE 113 HD12 ILE 113 14.069 1.123 1.123 841 H HIS 114 HN HIS 114 11.455 -3.843 -3.843 842 HA HIS 114 HA HIS 114 13.635 -3.673 -3.673 843 1HB HIS 114 HB1 HIS 114 11.826 -6.046 -6.046 844 2HB HIS 114 HB2 HIS 114 13.459 -6.076 -6.076 845 HD2 HIS 114 HD2 HIS 114 14.646 -4.024 -4.024 846 HE1 HIS 114 HE1 HIS 114 13.614 -7.355 -7.355 847 HE2 HIS 114 HE2 HIS 114 15.071 -5.287 -5.287 848 H LEU 115 HN LEU 115 10.172 -3.852 -3.852 849 HA LEU 115 HA LEU 115 10.146 -4.588 -4.588 850 1HB LEU 115 HB2 LEU 115 7.923 -2.958 -2.958 851 2HB LEU 115 HB1 LEU 115 7.871 -4.414 -4.414 852 HG LEU 115 HG LEU 115 8.378 -4.239 -4.239 853 1HD1 LEU 115 HD11 LEU 115 6.010 -4.096 -4.096 854 2HD1 LEU 115 HD13 LEU 115 6.213 -5.846 -5.846 855 3HD1 LEU 115 HD12 LEU 115 6.262 -5.026 -5.026 856 1HD2 LEU 115 HD23 LEU 115 8.461 -6.619 -6.619 857 2HD2 LEU 115 HD22 LEU 115 9.790 -5.969 -5.969 858 3HD2 LEU 115 HD21 LEU 115 8.406 -6.716 -6.716 859 H ALA 116 HN ALA 116 9.636 -1.454 -1.454 860 HA ALA 116 HA ALA 116 9.384 0.133 0.133 861 1HB ALA 116 HB3 ALA 116 9.135 0.780 0.780 862 2HB ALA 116 HB2 ALA 116 10.877 1.058 1.058 863 3HB ALA 116 HB1 ALA 116 9.819 1.985 1.985 864 H ILE 117 HN ILE 117 12.274 -1.096 -1.096 865 HA ILE 117 HA ILE 117 14.217 0.393 0.393 866 HB ILE 117 HB ILE 117 14.284 -2.425 -2.425 867 1HG1 ILE 117 HG11 ILE 117 15.609 0.103 0.103 868 2HG1 ILE 117 HG12 ILE 117 14.058 -0.491 -0.491 869 1HG2 ILE 117 HG23 ILE 117 16.427 -0.854 -0.854 870 2HG2 ILE 117 HG22 ILE 117 16.832 -2.053 -2.053 871 3HG2 ILE 117 HG21 ILE 117 15.959 -2.540 -2.540 872 1HD1 ILE 117 HD11 ILE 117 15.435 -2.676 -2.676 873 2HD1 ILE 117 HD13 ILE 117 16.790 -1.548 -1.548 874 3HD1 ILE 117 HD12 ILE 117 15.453 -1.327 -1.327 875 H ARG 118 HN ARG 118 12.450 -2.485 -2.485 876 HA ARG 118 HA ARG 118 13.998 -3.031 -3.031 877 1HB ARG 118 HB1 ARG 118 11.085 -3.677 -3.677 878 2HB ARG 118 HB2 ARG 118 12.436 -4.652 -4.652 879 1HG ARG 118 HG2 ARG 118 12.845 -4.306 -4.306 880 2HG ARG 118 HG1 ARG 118 11.125 -4.650 -4.650 881 1HD ARG 118 HD2 ARG 118 11.567 -6.687 -6.687 882 2HD ARG 118 HD1 ARG 118 13.277 -6.293 -6.293 883 HE ARG 118 HE ARG 118 12.835 -6.338 -6.338 884 1HH1 ARG 118 HH11 ARG 118 12.440 -8.575 -8.575 885 2HH1 ARG 118 HH12 ARG 118 12.722 -9.979 -9.979 886 1HH2 ARG 118 HH21 ARG 118 13.209 -8.183 -8.183 887 2HH2 ARG 118 HH22 ARG 118 13.160 -9.756 -9.756 888 H GLU 119 HN GLU 119 11.299 -0.901 -0.901 889 HA GLU 119 HA GLU 119 10.886 -0.249 -0.249 890 1HB GLU 119 HB2 GLU 119 9.804 1.446 1.446 891 2HB GLU 119 HB1 GLU 119 9.044 0.914 0.914 892 1HG GLU 119 HG2 GLU 119 8.024 -0.737 -0.737 893 2HG GLU 119 HG1 GLU 119 9.565 -1.355 -1.355 894 H GLY 120 HN GLY 120 12.019 1.526 1.526 895 1HA GLY 120 HA2 GLY 120 13.888 2.973 2.973 896 2HA GLY 120 HA1 GLY 120 13.819 3.059 3.059 897 H HIS 121 HN HIS 121 10.866 3.436 3.436 898 HA HIS 121 HA HIS 121 10.127 5.827 5.827 899 1HB HIS 121 HB2 HIS 121 9.416 4.690 4.690 900 2HB HIS 121 HB1 HIS 121 8.617 6.093 6.093 901 HD2 HIS 121 HD2 HIS 121 8.220 2.370 2.370 902 HE1 HIS 121 HE1 HIS 121 6.119 3.683 3.683 903 HE2 HIS 121 HE2 HIS 121 6.403 1.797 1.797 904 H SER 122 HN SER 122 12.415 5.288 5.288 905 HA SER 122 HA SER 122 13.962 6.736 6.736 906 1HB SER 122 HB2 SER 122 13.286 8.121 8.121 907 2HB SER 122 HB1 SER 122 12.560 9.181 9.181 908 HG SER 122 HG SER 122 14.765 8.910 8.910 909 H SER 123 HN SER 123 10.816 8.420 8.420 910 HA SER 123 HA SER 123 11.090 9.309 9.309 911 1HB SER 123 HB2 SER 123 8.829 9.273 9.273 912 2HB SER 123 HB1 SER 123 8.546 9.751 9.751 913 HG SER 123 HG SER 123 9.539 11.214 11.214 914 H VAL 124 HN VAL 124 9.627 6.527 6.527 915 HA VAL 124 HA VAL 124 8.191 5.640 5.640 916 HB VAL 124 HB VAL 124 9.052 3.984 3.984 917 1HG1 VAL 124 HG13 VAL 124 7.563 3.416 3.416 918 2HG1 VAL 124 HG12 VAL 124 6.538 3.208 3.208 919 3HG1 VAL 124 HG11 VAL 124 8.058 2.325 2.325 920 1HG2 VAL 124 HG22 VAL 124 7.827 6.063 6.063 921 2HG2 VAL 124 HG21 VAL 124 6.997 4.570 4.570 922 3HG2 VAL 124 HG23 VAL 124 6.467 5.495 5.495 923 H VAL 125 HN VAL 125 11.103 4.387 4.387 924 HA VAL 125 HA VAL 125 11.795 2.438 2.438 925 HB VAL 125 HB VAL 125 14.213 2.968 2.968 926 1HG1 VAL 125 HG21 VAL 125 11.960 2.096 2.096 927 2HG1 VAL 125 HG23 VAL 125 13.614 2.139 2.139 928 3HG1 VAL 125 HG22 VAL 125 13.211 1.123 1.123 929 1HG2 VAL 125 HG11 VAL 125 12.781 5.198 5.198 930 2HG2 VAL 125 HG13 VAL 125 14.518 4.913 4.913 931 3HG2 VAL 125 HG12 VAL 125 13.600 4.263 4.263 932 H SER 126 HN SER 126 13.212 5.718 5.718 933 HA SER 126 HA SER 126 14.632 5.571 5.571 934 1HB SER 126 HB2 SER 126 15.130 7.392 7.392 935 2HB SER 126 HB1 SER 126 13.442 7.894 7.894 936 HG SER 126 HG SER 126 14.662 9.230 9.230 937 H PHE 127 HN PHE 127 11.263 6.121 6.121 938 HA PHE 127 HA PHE 127 10.660 7.136 7.136 939 1HB PHE 127 HB2 PHE 127 9.079 7.706 7.706 940 2HB PHE 127 HB1 PHE 127 9.008 6.063 6.063 941 HD1 PHE 127 HD1 PHE 127 8.270 7.984 7.984 942 HD2 PHE 127 HD2 PHE 127 7.224 4.724 4.724 943 HE1 PHE 127 HE1 PHE 127 6.291 7.535 7.535 944 HE2 PHE 127 HE2 PHE 127 5.241 4.270 4.270 945 HZ PHE 127 HZ PHE 127 4.773 5.677 5.677 946 H LEU 128 HN LEU 128 10.099 3.979 3.979 947 HA LEU 128 HA LEU 128 9.124 2.690 2.690 948 1HB LEU 128 HB2 LEU 128 9.603 2.024 2.024 949 2HB LEU 128 HB1 LEU 128 10.495 0.856 0.856 950 HG LEU 128 HG LEU 128 8.336 -0.061 -0.061 951 1HD1 LEU 128 HD12 LEU 128 8.758 0.886 0.886 952 2HD1 LEU 128 HD11 LEU 128 7.352 -0.090 -0.090 953 3HD1 LEU 128 HD13 LEU 128 8.977 -0.727 -0.727 954 1HD2 LEU 128 HD21 LEU 128 7.252 2.142 2.142 955 2HD2 LEU 128 HD23 LEU 128 6.271 1.027 1.027 956 3HD2 LEU 128 HD22 LEU 128 7.097 2.369 2.369 957 H ALA 129 HN ALA 129 12.231 3.752 3.752 958 HA ALA 129 HA ALA 129 13.863 1.755 1.755 959 1HB ALA 129 HB3 ALA 129 14.151 4.520 4.520 960 2HB ALA 129 HB2 ALA 129 15.119 4.150 4.150 961 3HB ALA 129 HB1 ALA 129 15.324 3.204 3.204 962 HA PRO 130 HA PRO 130 13.763 3.912 3.912 963 1HB PRO 130 HB1 PRO 130 12.281 6.162 6.162 964 2HB PRO 130 HB2 PRO 130 13.959 6.188 6.188 965 1HG PRO 130 HG1 PRO 130 11.432 6.349 6.349 966 2HG PRO 130 HG2 PRO 130 12.920 7.300 7.300 967 1HD PRO 130 HD2 PRO 130 12.353 5.204 5.204 968 2HD PRO 130 HD1 PRO 130 14.013 5.624 5.624 969 H GLU 131 HN GLU 131 10.751 4.108 4.108 970 HA GLU 131 HA GLU 131 8.960 3.811 3.811 971 1HB GLU 131 HB1 GLU 131 8.688 2.993 2.993 972 2HB GLU 131 HB2 GLU 131 7.362 3.000 3.000 973 1HG GLU 131 HG2 GLU 131 8.941 5.490 5.490 974 2HG GLU 131 HG1 GLU 131 7.745 5.015 5.015 975 H SER 132 HN SER 132 11.185 1.618 1.618 976 HA SER 132 HA SER 132 9.785 -0.625 -0.625 977 1HB SER 132 HB1 SER 132 11.717 -0.879 -0.879 978 2HB SER 132 HB2 SER 132 10.699 -2.142 -2.142 979 HG SER 132 HG SER 132 10.079 -0.176 -0.176 980 H ASP 133 HN ASP 133 10.968 -1.981 -1.981 981 HA ASP 133 HA ASP 133 12.927 -1.057 -1.057 982 1HB ASP 133 HB1 ASP 133 13.572 -3.803 -3.803 983 2HB ASP 133 HB2 ASP 133 11.822 -3.615 -3.615 984 H LEU 134 HN LEU 134 14.574 0.124 0.124 985 HA LEU 134 HA LEU 134 16.076 -0.595 -0.595 986 1HB LEU 134 HB2 LEU 134 16.379 1.392 1.392 987 2HB LEU 134 HB1 LEU 134 17.717 1.111 1.111 988 HG LEU 134 HG LEU 134 14.957 1.971 1.971 989 1HD1 LEU 134 HD13 LEU 134 17.254 3.469 3.469 990 2HD1 LEU 134 HD12 LEU 134 16.695 4.004 4.004 991 3HD1 LEU 134 HD11 LEU 134 15.578 3.973 3.973 992 1HD2 LEU 134 HD22 LEU 134 16.283 0.656 0.656 993 2HD2 LEU 134 HD21 LEU 134 15.906 2.299 2.299 994 3HD2 LEU 134 HD23 LEU 134 17.521 1.908 1.908 995 H HIS 135 HN HIS 135 16.311 -2.909 -2.909 996 HA HIS 135 HA HIS 135 19.010 -3.388 -3.388 997 1HB HIS 135 HB1 HIS 135 18.066 -2.539 -2.539 998 2HB HIS 135 HB2 HIS 135 17.311 -4.126 -4.126 999 HD2 HIS 135 HD2 HIS 135 19.399 -6.254 -6.254 1000 HE1 HIS 135 HE1 HIS 135 22.174 -3.845 -3.845 1001 HE2 HIS 135 HE2 HIS 135 21.743 -6.137 -6.137 1002 H HIS 136 HN HIS 136 15.717 -4.622 -4.622 1003 HA HIS 136 HA HIS 136 16.215 -7.344 -7.344 1004 1HB HIS 136 HB1 HIS 136 13.921 -7.573 -7.573 1005 2HB HIS 136 HB2 HIS 136 13.998 -6.474 -6.474 1006 HD2 HIS 136 HD2 HIS 136 14.736 -5.454 -5.454 1007 HE1 HIS 136 HE1 HIS 136 11.402 -3.295 -3.295 1008 HE2 HIS 136 HE2 HIS 136 13.103 -3.481 -3.481 1009 H ARG 137 HN ARG 137 15.305 -8.713 -8.713 1010 HA ARG 137 HA ARG 137 16.502 -7.728 -7.728 1011 1HB ARG 137 HB1 ARG 137 16.985 -10.542 -10.542 1012 2HB ARG 137 HB2 ARG 137 17.792 -9.678 -9.678 1013 1HG ARG 137 HG2 ARG 137 19.236 -8.651 -8.651 1014 2HG ARG 137 HG1 ARG 137 18.048 -8.494 -8.494 1015 1HD ARG 137 HD1 ARG 137 18.798 -10.326 -10.326 1016 2HD ARG 137 HD2 ARG 137 18.683 -11.263 -11.263 1017 HE ARG 137 HE ARG 137 20.963 -9.594 -9.594 1018 1HH1 ARG 137 HH21 ARG 137 19.738 -12.493 -12.493 1019 2HH1 ARG 137 HH22 ARG 137 21.306 -13.199 -13.199 1020 1HH2 ARG 137 HH11 ARG 137 23.030 -10.514 -10.514 1021 2HH2 ARG 137 HH12 ARG 137 23.178 -12.073 -12.073 1022 H ASP 138 HN ASP 138 16.179 -10.033 -10.033 1023 HA ASP 138 HA ASP 138 13.287 -10.559 -10.559 1024 1HB ASP 138 HB1 ASP 138 13.439 -10.591 -10.591 1025 2HB ASP 138 HB2 ASP 138 13.357 -9.039 -9.039 1026 H ALA 139 HN ALA 139 12.773 -12.372 -12.372 1027 HA ALA 139 HA ALA 139 14.136 -14.702 -14.702 1028 1HB ALA 139 HB3 ALA 139 12.041 -14.281 -14.281 1029 2HB ALA 139 HB2 ALA 139 12.667 -15.867 -15.867 1030 3HB ALA 139 HB1 ALA 139 11.813 -14.886 -14.886 1031 H SER 140 HN SER 140 14.907 -12.458 -12.458 1032 HA SER 140 HA SER 140 16.401 -14.413 -14.413 1033 1HB SER 140 HB1 SER 140 16.390 -12.880 -12.880 1034 2HB SER 140 HB2 SER 140 14.783 -12.717 -12.717 1035 HG SER 140 HG SER 140 15.905 -10.961 -10.961 1036 H GLY 141 HN GLY 141 16.783 -12.210 -12.210 1037 1HA GLY 141 HA2 GLY 141 18.680 -11.549 -11.549 1038 2HA GLY 141 HA1 GLY 141 19.624 -12.503 -12.503 1039 H LEU 142 HN LEU 142 17.594 -9.569 -9.569 1040 HA LEU 142 HA LEU 142 19.850 -8.015 -8.015 1041 1HB LEU 142 HB2 LEU 142 17.431 -8.345 -8.345 1042 2HB LEU 142 HB1 LEU 142 18.808 -7.306 -7.306 1043 HG LEU 142 HG LEU 142 18.936 -10.319 -10.319 1044 1HD1 LEU 142 HD11 LEU 142 17.672 -9.123 -9.123 1045 2HD1 LEU 142 HD13 LEU 142 19.308 -8.773 -8.773 1046 3HD1 LEU 142 HD12 LEU 142 18.794 -10.444 -10.444 1047 1HD2 LEU 142 HD22 LEU 142 20.981 -8.802 -8.802 1048 2HD2 LEU 142 HD21 LEU 142 21.170 -10.180 -10.180 1049 3HD2 LEU 142 HD23 LEU 142 21.018 -8.552 -8.552 1050 H THR 143 HN THR 143 19.423 -6.852 -6.852 1051 HA THR 143 HA THR 143 16.893 -5.656 -5.656 1052 HB THR 143 HB THR 143 17.832 -4.921 -4.921 1053 HG1 THR 143 HG1 THR 143 19.553 -3.682 -3.682 1054 1HG2 THR 143 HG21 THR 143 18.625 -7.296 -7.296 1055 2HG2 THR 143 HG23 THR 143 20.192 -6.610 -6.610 1056 3HG2 THR 143 HG22 THR 143 19.512 -6.316 -6.316 1057 HA PRO 144 HA PRO 144 16.800 -1.600 -1.600 1058 1HB PRO 144 HB2 PRO 144 18.272 -0.376 -0.376 1059 2HB PRO 144 HB1 PRO 144 16.787 0.158 0.158 1060 1HG PRO 144 HG1 PRO 144 16.686 -1.082 -1.082 1061 2HG PRO 144 HG2 PRO 144 15.480 -1.420 -1.420 1062 1HD PRO 144 HD2 PRO 144 17.785 -3.070 -3.070 1063 2HD PRO 144 HD1 PRO 144 16.198 -3.585 -3.585 1064 H LEU 145 HN LEU 145 19.867 -1.475 -1.475 1065 HA LEU 145 HA LEU 145 21.275 -0.139 -0.139 1066 1HB LEU 145 HB1 LEU 145 22.044 -0.029 -0.029 1067 2HB LEU 145 HB2 LEU 145 22.238 -1.769 -1.769 1068 HG LEU 145 HG LEU 145 24.163 -1.730 -1.730 1069 1HD1 LEU 145 HD22 LEU 145 22.957 0.679 0.679 1070 2HD1 LEU 145 HD21 LEU 145 24.680 0.880 0.880 1071 3HD1 LEU 145 HD23 LEU 145 24.121 -0.425 -0.425 1072 1HD2 LEU 145 HD11 LEU 145 24.134 0.612 0.612 1073 2HD2 LEU 145 HD13 LEU 145 24.742 -1.017 -1.017 1074 3HD2 LEU 145 HD12 LEU 145 25.594 0.057 0.057 1075 H GLU 146 HN GLU 146 20.750 -3.529 -3.529 1076 HA GLU 146 HA GLU 146 22.763 -4.561 -4.561 1077 1HB GLU 146 HB2 GLU 146 20.488 -5.618 -5.618 1078 2HB GLU 146 HB1 GLU 146 20.828 -6.509 -6.509 1079 1HG GLU 146 HG1 GLU 146 21.960 -7.229 -7.229 1080 2HG GLU 146 HG2 GLU 146 22.914 -7.175 -7.175 1081 H LEU 147 HN LEU 147 19.237 -4.793 -4.793 1082 HA LEU 147 HA LEU 147 19.351 -5.366 -5.366 1083 1HB LEU 147 HB2 LEU 147 17.338 -5.245 -5.245 1084 2HB LEU 147 HB1 LEU 147 17.143 -3.636 -3.636 1085 HG LEU 147 HG LEU 147 16.903 -4.604 -4.604 1086 1HD1 LEU 147 HD22 LEU 147 18.000 -6.898 -6.898 1087 2HD1 LEU 147 HD21 LEU 147 16.387 -7.315 -7.315 1088 3HD1 LEU 147 HD23 LEU 147 17.585 -6.662 -6.662 1089 1HD2 LEU 147 HD13 LEU 147 15.060 -4.674 -4.674 1090 2HD2 LEU 147 HD12 LEU 147 14.716 -4.719 -4.719 1091 3HD2 LEU 147 HD11 LEU 147 14.888 -6.223 -6.223 1092 H ALA 148 HN ALA 148 19.122 -2.209 -2.209 1093 HA ALA 148 HA ALA 148 18.911 -0.600 -0.600 1094 1HB ALA 148 HB2 ALA 148 18.685 0.130 0.130 1095 2HB ALA 148 HB1 ALA 148 20.446 0.121 0.121 1096 3HB ALA 148 HB3 ALA 148 19.635 1.214 1.214 1097 H ARG 149 HN ARG 149 21.741 -2.031 -2.031 1098 HA ARG 149 HA ARG 149 23.691 -0.679 -0.679 1099 1HB ARG 149 HB1 ARG 149 24.431 -1.729 -1.729 1100 2HB ARG 149 HB2 ARG 149 23.722 -3.272 -3.272 1101 1HG ARG 149 HG2 ARG 149 26.231 -3.099 -3.099 1102 2HG ARG 149 HG1 ARG 149 25.392 -3.677 -3.677 1103 1HD ARG 149 HD2 ARG 149 26.287 -2.038 -2.038 1104 2HD ARG 149 HD1 ARG 149 25.546 -0.842 -0.842 1105 HE ARG 149 HE ARG 149 27.770 -1.681 -1.681 1106 1HH1 ARG 149 HH21 ARG 149 27.153 -0.318 -0.318 1107 2HH1 ARG 149 HH22 ARG 149 28.691 0.472 0.472 1108 1HH2 ARG 149 HH11 ARG 149 29.799 -0.643 -0.643 1109 2HH2 ARG 149 HH12 ARG 149 30.195 0.287 0.287 1110 H GLN 150 HN GLN 150 21.974 -3.739 -3.739 1111 HA GLN 150 HA GLN 150 23.346 -4.622 -4.622 1112 1HB GLN 150 HB1 GLN 150 22.086 -6.258 -6.258 1113 2HB GLN 150 HB2 GLN 150 20.655 -5.241 -5.241 1114 1HG GLN 150 HG1 GLN 150 20.138 -6.851 -6.851 1115 2HG GLN 150 HG2 GLN 150 20.610 -5.445 -5.445 1116 1HE2 GLN 150 HE22 GLN 150 22.617 -8.918 -8.918 1117 2HE2 GLN 150 HE21 GLN 150 21.239 -8.707 -8.707 1118 H ARG 151 HN ARG 151 19.920 -3.702 -3.702 1119 HA ARG 151 HA ARG 151 20.096 -2.774 -2.774 1120 1HB ARG 151 HB2 ARG 151 17.797 -2.234 -2.234 1121 2HB ARG 151 HB1 ARG 151 17.764 -2.438 -2.438 1122 1HG ARG 151 HG2 ARG 151 18.638 -4.848 -4.848 1123 2HG ARG 151 HG1 ARG 151 17.856 -4.480 -4.480 1124 1HD ARG 151 HD1 ARG 151 15.951 -5.148 -5.148 1125 2HD ARG 151 HD2 ARG 151 16.012 -3.668 -3.668 1126 HE ARG 151 HE ARG 151 17.459 -5.935 -5.935 1127 1HH1 ARG 151 HH11 ARG 151 14.508 -4.087 -4.087 1128 2HH1 ARG 151 HH12 ARG 151 13.974 -4.656 -4.656 1129 1HH2 ARG 151 HH21 ARG 151 16.766 -6.692 -6.692 1130 2HH2 ARG 151 HH22 ARG 151 15.257 -6.138 -6.138 1131 H GLY 152 HN GLY 152 21.951 -1.325 -1.325 1132 1HA GLY 152 HA1 GLY 152 21.244 1.044 1.044 1133 2HA GLY 152 HA2 GLY 152 22.728 0.779 0.779 1134 H ALA 153 HN ALA 153 19.291 1.006 1.006 1135 HA ALA 153 HA ALA 153 19.356 1.976 1.976 1136 1HB ALA 153 HB3 ALA 153 17.587 2.539 2.539 1137 2HB ALA 153 HB2 ALA 153 17.463 3.643 3.643 1138 3HB ALA 153 HB1 ALA 153 17.204 1.914 1.914 1139 H GLN 154 HN GLN 154 20.333 3.742 3.742 1140 HA GLN 154 HA GLN 154 22.075 5.449 5.449 1141 1HB GLN 154 HB1 GLN 154 20.598 7.614 7.614 1142 2HB GLN 154 HB2 GLN 154 20.524 6.648 6.648 1143 1HG GLN 154 HG1 GLN 154 18.314 7.380 7.380 1144 2HG GLN 154 HG2 GLN 154 18.482 5.641 5.641 1145 1HE2 GLN 154 HE22 GLN 154 17.977 4.819 4.819 1146 2HE2 GLN 154 HE21 GLN 154 18.382 4.290 4.290 1147 H ASN 155 HN ASN 155 20.251 7.497 7.497 1148 HA ASN 155 HA ASN 155 22.160 7.286 7.286 1149 1HB ASN 155 HB1 ASN 155 20.118 9.140 9.140 1150 2HB ASN 155 HB2 ASN 155 19.976 8.819 8.819 1151 1HD2 ASN 155 HD22 ASN 155 22.418 11.594 11.594 1152 2HD2 ASN 155 HD21 ASN 155 20.860 11.208 11.208 1153 H LEU 156 HN LEU 156 19.785 5.212 5.212 1154 HA LEU 156 HA LEU 156 18.167 4.897 4.897 1155 1HB LEU 156 HB1 LEU 156 18.988 3.324 3.324 1156 2HB LEU 156 HB2 LEU 156 19.015 2.309 2.309 1157 HG LEU 156 HG LEU 156 16.683 3.752 3.752 1158 1HD1 LEU 156 HD13 LEU 156 17.608 1.246 1.246 1159 2HD1 LEU 156 HD12 LEU 156 16.504 0.973 0.973 1160 3HD1 LEU 156 HD11 LEU 156 15.911 1.707 1.707 1161 1HD2 LEU 156 HD23 LEU 156 17.061 2.824 2.824 1162 2HD2 LEU 156 HD22 LEU 156 16.278 4.284 4.284 1163 3HD2 LEU 156 HD21 LEU 156 15.469 2.724 2.724 1164 H MET 157 HN MET 157 21.272 3.197 3.197 1165 HA MET 157 HA MET 157 21.445 1.984 1.984 1166 1HB MET 157 HB1 MET 157 23.646 1.529 1.529 1167 2HB MET 157 HB2 MET 157 22.968 1.852 1.852 1168 1HG MET 157 HG2 MET 157 24.911 3.058 3.058 1169 2HG MET 157 HG1 MET 157 23.754 4.282 4.282 1170 1HE MET 157 HE2 MET 157 26.235 1.589 1.589 1171 2HE MET 157 HE1 MET 157 26.649 2.103 2.103 1172 3HE MET 157 HE3 MET 157 25.047 1.447 1.447 1173 H ASP 158 HN ASP 158 22.110 5.295 5.295 1174 HA ASP 158 HA ASP 158 23.425 5.994 5.994 1175 1HB ASP 158 HB1 ASP 158 22.943 7.228 7.228 1176 2HB ASP 158 HB2 ASP 158 22.246 8.279 8.279 1177 H ILE 159 HN ILE 159 20.203 6.787 6.787 1178 HA ILE 159 HA ILE 159 19.206 8.136 8.136 1179 HB ILE 159 HB ILE 159 17.081 6.499 6.499 1180 1HG1 ILE 159 HG12 ILE 159 18.702 7.757 7.757 1181 2HG1 ILE 159 HG11 ILE 159 18.639 6.028 6.028 1182 1HG2 ILE 159 HG21 ILE 159 17.870 9.342 9.342 1183 2HG2 ILE 159 HG23 ILE 159 16.639 8.871 8.871 1184 3HG2 ILE 159 HG22 ILE 159 16.382 8.566 8.566 1185 1HD1 ILE 159 HD13 ILE 159 16.158 6.166 6.166 1186 2HD1 ILE 159 HD12 ILE 159 16.414 7.810 7.810 1187 3HD1 ILE 159 HD11 ILE 159 17.151 6.447 6.447 1188 H LEU 160 HN LEU 160 19.500 4.684 4.684 1189 HA LEU 160 HA LEU 160 17.970 3.931 3.931 1190 1HB LEU 160 HB1 LEU 160 19.945 2.380 2.380 1191 2HB LEU 160 HB2 LEU 160 18.935 1.687 1.687 1192 HG LEU 160 HG LEU 160 18.318 1.868 1.868 1193 1HD1 LEU 160 HD11 LEU 160 17.430 0.425 0.425 1194 2HD1 LEU 160 HD13 LEU 160 16.182 1.662 1.662 1195 3HD1 LEU 160 HD12 LEU 160 16.374 0.755 0.755 1196 1HD2 LEU 160 HD23 LEU 160 16.817 4.005 4.005 1197 2HD2 LEU 160 HD22 LEU 160 17.838 4.203 4.203 1198 3HD2 LEU 160 HD21 LEU 160 16.312 3.326 3.326 1199 H GLN 161 HN GLN 161 21.353 4.581 4.581 1200 HA GLN 161 HA GLN 161 22.311 3.519 3.519 1201 1HB GLN 161 HB2 GLN 161 23.425 4.801 4.801 1202 2HB GLN 161 HB1 GLN 161 24.156 5.414 5.414 1203 1HG GLN 161 HG2 GLN 161 24.265 2.812 2.812 1204 2HG GLN 161 HG1 GLN 161 24.296 2.725 2.725 1205 1HE2 GLN 161 HE22 GLN 161 27.317 4.875 4.875 1206 2HE2 GLN 161 HE21 GLN 161 25.686 5.063 5.063 1207 H GLY 162 HN GLY 162 21.761 6.840 6.840 1208 1HA GLY 162 HA2 GLY 162 22.454 8.115 8.115 1209 2HA GLY 162 HA1 GLY 162 21.477 8.814 8.814 1210 H HIS 163 HN HIS 163 19.345 6.949 6.949 1211 HA HIS 163 HA HIS 163 17.720 8.095 8.095 1212 1HB HIS 163 HB1 HIS 163 17.453 5.988 5.988 1213 2HB HIS 163 HB2 HIS 163 16.403 5.781 5.781 1214 HD2 HIS 163 HD2 HIS 163 16.856 8.110 8.110 1215 HE1 HIS 163 HE1 HIS 163 13.344 9.239 9.239 1216 HE2 HIS 163 HE2 HIS 163 14.641 9.458 9.458 1217 H MET 164 HN MET 164 19.719 5.232 5.232 1218 HA MET 164 HA MET 164 18.688 3.716 3.716 1219 1HB MET 164 HB1 MET 164 21.230 4.013 4.013 1220 2HB MET 164 HB2 MET 164 21.490 3.920 3.920 1221 1HG MET 164 HG2 MET 164 20.467 1.807 1.807 1222 2HG MET 164 HG1 MET 164 19.787 1.942 1.942 1223 1HE MET 164 HE3 MET 164 20.310 0.246 0.246 1224 2HE MET 164 HE2 MET 164 21.445 0.991 0.991 1225 3HE MET 164 HE1 MET 164 21.864 -0.522 -0.522 1226 H MET 165 HN MET 165 21.453 5.752 5.752 1227 HA MET 165 HA MET 165 20.485 7.578 7.578 1228 1HB MET 165 HB2 MET 165 19.142 6.153 6.153 1229 2HB MET 165 HB1 MET 165 20.343 4.868 4.868 1230 1HG MET 165 HG2 MET 165 21.767 6.265 6.265 1231 2HG MET 165 HG1 MET 165 20.463 7.449 7.449 1232 1HE MET 165 HE2 MET 165 20.668 7.243 7.243 1233 2HE MET 165 HE1 MET 165 20.466 5.726 5.726 1234 3HE MET 165 HE3 MET 165 21.885 5.975 5.975 1235 H ILE 166 HN ILE 166 22.799 5.080 5.080 1236 HA ILE 166 HA ILE 166 24.996 4.826 4.826 1237 HB ILE 166 HB ILE 166 25.058 7.700 7.700 1238 1HG1 ILE 166 HG12 ILE 166 25.317 5.183 5.183 1239 2HG1 ILE 166 HG11 ILE 166 23.871 6.186 6.186 1240 1HG2 ILE 166 HG21 ILE 166 27.084 6.344 6.344 1241 2HG2 ILE 166 HG23 ILE 166 27.258 5.813 5.813 1242 3HG2 ILE 166 HG22 ILE 166 27.308 7.533 7.533 1243 1HD1 ILE 166 HD11 ILE 166 26.563 7.122 7.122 1244 2HD1 ILE 166 HD13 ILE 166 25.237 6.605 6.605 1245 3HD1 ILE 166 HD12 ILE 166 25.056 8.035 8.035 1246 HA PRO 167 HA PRO 167 24.879 6.675 6.675 1247 1HB PRO 167 HB2 PRO 167 26.192 4.644 4.644 1248 2HB PRO 167 HB1 PRO 167 24.468 4.568 4.568 1249 1HG PRO 167 HG1 PRO 167 26.790 3.388 3.388 1250 2HG PRO 167 HG2 PRO 167 25.209 2.669 2.669 1251 1HD PRO 167 HD1 PRO 167 25.844 3.756 3.756 1252 2HD PRO 167 HD2 PRO 167 24.192 3.726 3.726 1253 H MET 168 HN MET 168 26.497 7.567 7.567 1254 HA MET 168 HA MET 168 29.188 7.208 7.208 1255 1HB MET 168 HB2 MET 168 29.855 9.190 9.190 1256 2HB MET 168 HB1 MET 168 29.592 7.588 7.588 1257 1HG MET 168 HG1 MET 168 27.608 8.182 8.182 1258 2HG MET 168 HG2 MET 168 27.327 9.519 9.519 1259 1HE MET 168 HE1 MET 168 29.026 11.325 11.325 1260 2HE MET 168 HE3 MET 168 29.886 12.120 12.120 1261 3HE MET 168 HE2 MET 168 28.133 12.269 12.269 Start of MODEL 8 1 1H GLY 1 HT3 GLY 1 -31.856 -21.076 -21.076 2 2H GLY 1 HT2 GLY 1 -30.441 -22.000 -22.000 3 3H GLY 1 HT1 GLY 1 -31.203 -21.691 -21.691 4 1HA GLY 1 HA2 GLY 1 -30.581 -19.462 -19.462 5 2HA GLY 1 HA1 GLY 1 -29.149 -20.332 -20.332 6 H SER 2 HN SER 2 -30.168 -20.864 -20.864 7 HA SER 2 HA SER 2 -29.243 -18.542 -18.542 8 1HB SER 2 HB2 SER 2 -29.867 -21.197 -21.197 9 2HB SER 2 HB1 SER 2 -30.850 -20.157 -20.157 10 HG SER 2 HG SER 2 -28.648 -18.978 -18.978 11 H MET 3 HN MET 3 -30.726 -17.038 -17.038 12 HA MET 3 HA MET 3 -32.695 -16.048 -16.048 13 1HB MET 3 HB2 MET 3 -33.642 -18.134 -18.134 14 2HB MET 3 HB1 MET 3 -34.235 -16.664 -16.664 15 1HG MET 3 HG1 MET 3 -35.495 -16.059 -16.059 16 2HG MET 3 HG2 MET 3 -34.554 -17.063 -17.063 17 1HE MET 3 HE1 MET 3 -37.230 -16.993 -16.993 18 2HE MET 3 HE3 MET 3 -37.619 -18.702 -18.702 19 3HE MET 3 HE2 MET 3 -36.036 -18.095 -18.095 20 H LEU 4 HN LEU 4 -33.170 -13.953 -13.953 21 HA LEU 4 HA LEU 4 -33.218 -11.961 -11.961 22 1HB LEU 4 HB2 LEU 4 -33.672 -13.828 -13.828 23 2HB LEU 4 HB1 LEU 4 -32.341 -12.864 -12.864 24 HG LEU 4 HG LEU 4 -34.699 -11.421 -11.421 25 1HD1 LEU 4 HD22 LEU 4 -35.458 -13.357 -13.357 26 2HD1 LEU 4 HD21 LEU 4 -34.754 -12.399 -12.399 27 3HD1 LEU 4 HD23 LEU 4 -36.062 -11.732 -11.732 28 1HD2 LEU 4 HD13 LEU 4 -32.506 -10.967 -10.967 29 2HD2 LEU 4 HD12 LEU 4 -33.200 -9.884 -9.884 30 3HD2 LEU 4 HD11 LEU 4 -34.044 -10.165 -10.165 31 H LEU 5 HN LEU 5 -30.802 -13.255 -13.255 32 HA LEU 5 HA LEU 5 -28.831 -11.503 -11.503 33 1HB LEU 5 HB1 LEU 5 -28.007 -14.196 -14.196 34 2HB LEU 5 HB2 LEU 5 -27.166 -13.135 -13.135 35 HG LEU 5 HG LEU 5 -29.705 -14.630 -14.630 36 1HD1 LEU 5 HD12 LEU 5 -27.007 -15.549 -15.549 37 2HD1 LEU 5 HD11 LEU 5 -27.523 -15.536 -15.536 38 3HD1 LEU 5 HD13 LEU 5 -28.456 -16.429 -16.429 39 1HD2 LEU 5 HD21 LEU 5 -28.415 -12.439 -12.439 40 2HD2 LEU 5 HD23 LEU 5 -29.801 -13.366 -13.366 41 3HD2 LEU 5 HD22 LEU 5 -28.166 -13.857 -13.857 42 H GLU 6 HN GLU 6 -27.325 -10.584 -10.584 43 HA GLU 6 HA GLU 6 -27.663 -11.149 -11.149 44 1HB GLU 6 HB2 GLU 6 -28.605 -8.903 -8.903 45 2HB GLU 6 HB1 GLU 6 -26.930 -8.399 -8.399 46 1HG GLU 6 HG1 GLU 6 -27.569 -9.563 -9.563 47 2HG GLU 6 HG2 GLU 6 -28.998 -8.633 -8.633 48 H GLU 7 HN GLU 7 -25.797 -10.549 -10.549 49 HA GLU 7 HA GLU 7 -23.267 -10.512 -10.512 50 1HB GLU 7 HB1 GLU 7 -22.351 -12.046 -12.046 51 2HB GLU 7 HB2 GLU 7 -23.460 -12.778 -12.778 52 1HG GLU 7 HG2 GLU 7 -24.020 -13.591 -13.591 53 2HG GLU 7 HG1 GLU 7 -25.283 -12.462 -12.462 54 H VAL 8 HN VAL 8 -21.382 -10.063 -10.063 55 HA VAL 8 HA VAL 8 -20.391 -8.311 -8.311 56 HB VAL 8 HB VAL 8 -20.880 -9.995 -9.995 57 1HG1 VAL 8 HG11 VAL 8 -23.347 -9.840 -9.840 58 2HG1 VAL 8 HG13 VAL 8 -23.263 -8.257 -8.257 59 3HG1 VAL 8 HG12 VAL 8 -22.739 -9.695 -9.695 60 1HG2 VAL 8 HG23 VAL 8 -20.359 -7.182 -7.182 61 2HG2 VAL 8 HG22 VAL 8 -19.647 -8.568 -8.568 62 3HG2 VAL 8 HG21 VAL 8 -21.149 -7.860 -7.860 63 H CYS 9 HN CYS 9 -22.717 -7.515 -7.515 64 HA CYS 9 HA CYS 9 -24.438 -5.746 -5.746 65 1HB CYS 9 HB1 CYS 9 -23.407 -6.135 -6.135 66 2HB CYS 9 HB2 CYS 9 -23.863 -4.468 -4.468 67 HG CYS 9 HG CYS 9 -26.005 -6.570 -6.570 68 H VAL 10 HN VAL 10 -24.026 -4.081 -4.081 69 HA VAL 10 HA VAL 10 -22.903 -2.391 -2.391 70 HB VAL 10 HB VAL 10 -22.228 -0.545 -0.545 71 1HG1 VAL 10 HG23 VAL 10 -24.699 -2.041 -2.041 72 2HG1 VAL 10 HG22 VAL 10 -24.276 -0.654 -0.654 73 3HG1 VAL 10 HG21 VAL 10 -24.502 -0.449 -0.449 74 1HG2 VAL 10 HG12 VAL 10 -20.997 -2.092 -2.092 75 2HG2 VAL 10 HG11 VAL 10 -21.787 -0.659 -0.659 76 3HG2 VAL 10 HG13 VAL 10 -22.550 -2.241 -2.241 77 H GLY 11 HN GLY 11 -21.391 -4.884 -4.884 78 1HA GLY 11 HA2 GLY 11 -18.727 -4.237 -4.237 79 2HA GLY 11 HA1 GLY 11 -19.251 -5.696 -5.696 80 H ASP 12 HN ASP 12 -20.368 -4.493 -4.493 81 HA ASP 12 HA ASP 12 -17.895 -3.661 -3.661 82 1HB ASP 12 HB1 ASP 12 -19.455 -5.672 -5.672 83 2HB ASP 12 HB2 ASP 12 -20.370 -4.393 -4.393 84 H ARG 13 HN ARG 13 -19.198 -1.726 -1.726 85 HA ARG 13 HA ARG 13 -20.405 0.014 0.014 86 1HB ARG 13 HB2 ARG 13 -21.774 -0.597 -0.597 87 2HB ARG 13 HB1 ARG 13 -20.639 0.375 0.375 88 1HG ARG 13 HG1 ARG 13 -22.115 2.016 2.016 89 2HG ARG 13 HG2 ARG 13 -21.301 2.122 2.122 90 1HD ARG 13 HD1 ARG 13 -23.001 1.033 1.033 91 2HD ARG 13 HD2 ARG 13 -23.574 0.219 0.219 92 HE ARG 13 HE ARG 13 -24.491 2.689 2.689 93 1HH1 ARG 13 HH11 ARG 13 -23.691 1.105 1.105 94 2HH1 ARG 13 HH12 ARG 13 -24.787 2.056 2.056 95 1HH2 ARG 13 HH21 ARG 13 -25.937 3.949 3.949 96 2HH2 ARG 13 HH22 ARG 13 -26.064 3.673 3.673 97 H LEU 14 HN LEU 14 -18.767 0.585 0.585 98 HA LEU 14 HA LEU 14 -17.512 2.959 2.959 99 1HB LEU 14 HB1 LEU 14 -18.016 2.804 2.804 100 2HB LEU 14 HB2 LEU 14 -17.154 1.287 1.287 101 HG LEU 14 HG LEU 14 -15.037 2.578 2.578 102 1HD1 LEU 14 HD23 LEU 14 -16.927 4.878 4.878 103 2HD1 LEU 14 HD22 LEU 14 -15.172 5.018 5.018 104 3HD1 LEU 14 HD21 LEU 14 -15.935 4.552 4.552 105 1HD2 LEU 14 HD13 LEU 14 -16.608 3.111 3.111 106 2HD2 LEU 14 HD12 LEU 14 -15.394 1.863 1.863 107 3HD2 LEU 14 HD11 LEU 14 -14.913 3.558 3.558 108 H SER 15 HN SER 15 -16.616 -0.391 -0.391 109 HA SER 15 HA SER 15 -13.826 -0.154 -0.154 110 1HB SER 15 HB1 SER 15 -14.397 -2.340 -2.340 111 2HB SER 15 HB2 SER 15 -15.826 -2.255 -2.255 112 HG SER 15 HG SER 15 -14.581 -3.315 -3.315 113 H GLY 16 HN GLY 16 -16.329 -0.131 -0.131 114 1HA GLY 16 HA2 GLY 16 -14.493 -0.072 -0.072 115 2HA GLY 16 HA1 GLY 16 -16.212 0.283 0.283 116 H ALA 17 HN ALA 17 -16.141 2.397 2.397 117 HA ALA 17 HA ALA 17 -15.550 4.574 4.574 118 1HB ALA 17 HB3 ALA 17 -17.088 4.245 4.245 119 2HB ALA 17 HB2 ALA 17 -15.747 5.200 5.200 120 3HB ALA 17 HB1 ALA 17 -16.692 5.799 5.799 121 H ALA 18 HN ALA 18 -14.106 3.772 3.772 122 HA ALA 18 HA ALA 18 -11.993 5.559 5.559 123 1HB ALA 18 HB2 ALA 18 -12.660 3.173 3.173 124 2HB ALA 18 HB1 ALA 18 -10.928 3.469 3.469 125 3HB ALA 18 HB3 ALA 18 -11.982 4.715 4.715 126 H ALA 19 HN ALA 19 -12.146 2.218 2.218 127 HA ALA 19 HA ALA 19 -9.430 2.148 2.148 128 1HB ALA 19 HB1 ALA 19 -10.802 0.142 0.142 129 2HB ALA 19 HB3 ALA 19 -11.681 0.376 0.376 130 3HB ALA 19 HB2 ALA 19 -9.953 0.026 0.026 131 H ARG 20 HN ARG 20 -12.359 3.352 3.352 132 HA ARG 20 HA ARG 20 -11.571 3.229 3.229 133 1HB ARG 20 HB2 ARG 20 -13.830 4.283 4.283 134 2HB ARG 20 HB1 ARG 20 -13.418 5.264 5.264 135 1HG ARG 20 HG2 ARG 20 -13.707 3.397 3.397 136 2HG ARG 20 HG1 ARG 20 -13.928 2.300 2.300 137 1HD ARG 20 HD1 ARG 20 -15.900 3.829 3.829 138 2HD ARG 20 HD2 ARG 20 -15.770 4.435 4.435 139 HE ARG 20 HE ARG 20 -15.864 1.624 1.624 140 1HH1 ARG 20 HH11 ARG 20 -17.890 4.378 4.378 141 2HH1 ARG 20 HH12 ARG 20 -19.355 3.575 3.575 142 1HH2 ARG 20 HH21 ARG 20 -17.788 0.556 0.556 143 2HH2 ARG 20 HH22 ARG 20 -19.297 1.401 1.401 144 H GLY 21 HN GLY 21 -11.292 5.614 5.614 145 1HA GLY 21 HA2 GLY 21 -9.524 7.196 7.196 146 2HA GLY 21 HA1 GLY 21 -9.380 7.086 7.086 147 H ASP 22 HN ASP 22 -11.842 7.998 7.998 148 HA ASP 22 HA ASP 22 -12.223 10.522 10.522 149 1HB ASP 22 HB2 ASP 22 -14.744 9.278 9.278 150 2HB ASP 22 HB1 ASP 22 -13.955 8.464 8.464 151 H VAL 23 HN VAL 23 -11.299 11.608 11.608 152 HA VAL 23 HA VAL 23 -11.757 11.230 11.230 153 HB VAL 23 HB VAL 23 -10.043 12.761 12.761 154 1HG1 VAL 23 HG13 VAL 23 -11.839 13.814 13.814 155 2HG1 VAL 23 HG12 VAL 23 -12.117 14.900 14.900 156 3HG1 VAL 23 HG11 VAL 23 -10.519 14.806 14.806 157 1HG2 VAL 23 HG21 VAL 23 -11.803 13.334 13.334 158 2HG2 VAL 23 HG23 VAL 23 -10.043 13.272 13.272 159 3HG2 VAL 23 HG22 VAL 23 -10.897 14.735 14.735 160 H GLN 24 HN GLN 24 -13.870 12.529 12.529 161 HA GLN 24 HA GLN 24 -15.536 14.046 14.046 162 1HB GLN 24 HB1 GLN 24 -16.073 12.895 12.895 163 2HB GLN 24 HB2 GLN 24 -17.143 14.009 14.009 164 1HG GLN 24 HG1 GLN 24 -15.672 15.788 15.788 165 2HG GLN 24 HG2 GLN 24 -14.290 14.734 14.734 166 1HE2 GLN 24 HE22 GLN 24 -15.920 16.397 16.397 167 2HE2 GLN 24 HE21 GLN 24 -15.815 16.996 16.996 168 H GLU 25 HN GLU 25 -15.789 10.805 10.805 169 HA GLU 25 HA GLU 25 -18.257 10.165 10.165 170 1HB GLU 25 HB2 GLU 25 -16.209 8.140 8.140 171 2HB GLU 25 HB1 GLU 25 -17.961 7.979 7.979 172 1HG GLU 25 HG1 GLU 25 -17.446 8.229 8.229 173 2HG GLU 25 HG2 GLU 25 -17.984 9.832 9.832 174 H VAL 26 HN VAL 26 -14.877 9.575 9.575 175 HA VAL 26 HA VAL 26 -15.195 7.857 7.857 176 HB VAL 26 HB VAL 26 -13.151 10.033 10.033 177 1HG1 VAL 26 HG22 VAL 26 -13.692 8.533 8.533 178 2HG1 VAL 26 HG21 VAL 26 -12.119 8.074 8.074 179 3HG1 VAL 26 HG23 VAL 26 -12.463 9.764 9.764 180 1HG2 VAL 26 HG13 VAL 26 -13.480 7.277 7.277 181 2HG2 VAL 26 HG12 VAL 26 -12.460 8.566 8.566 182 3HG2 VAL 26 HG11 VAL 26 -11.904 7.599 7.599 183 H ARG 27 HN ARG 27 -15.027 11.419 11.419 184 HA ARG 27 HA ARG 27 -15.508 11.682 11.682 185 1HB ARG 27 HB2 ARG 27 -16.084 13.599 13.599 186 2HB ARG 27 HB1 ARG 27 -16.156 14.025 14.025 187 1HG ARG 27 HG1 ARG 27 -13.751 13.352 13.352 188 2HG ARG 27 HG2 ARG 27 -13.737 13.196 13.196 189 1HD ARG 27 HD2 ARG 27 -14.665 15.607 15.607 190 2HD ARG 27 HD1 ARG 27 -14.076 15.655 15.655 191 HE ARG 27 HE ARG 27 -11.909 14.807 14.807 192 1HH1 ARG 27 HH21 ARG 27 -14.124 17.412 17.412 193 2HH1 ARG 27 HH22 ARG 27 -12.932 18.399 18.399 194 1HH2 ARG 27 HH11 ARG 27 -10.334 16.096 16.096 195 2HH2 ARG 27 HH12 ARG 27 -10.778 17.651 17.651 196 H ARG 28 HN ARG 28 -17.786 12.250 12.250 197 HA ARG 28 HA ARG 28 -20.078 12.547 12.547 198 1HB ARG 28 HB2 ARG 28 -19.772 11.428 11.428 199 2HB ARG 28 HB1 ARG 28 -21.316 11.854 11.854 200 1HG ARG 28 HG1 ARG 28 -19.140 13.889 13.889 201 2HG ARG 28 HG2 ARG 28 -20.097 13.531 13.531 202 1HD ARG 28 HD1 ARG 28 -22.030 13.790 13.790 203 2HD ARG 28 HD2 ARG 28 -20.833 14.965 14.965 204 HE ARG 28 HE ARG 28 -22.598 15.287 15.287 205 1HH1 ARG 28 HH11 ARG 28 -19.243 15.765 15.765 206 2HH1 ARG 28 HH12 ARG 28 -19.031 17.078 17.078 207 1HH2 ARG 28 HH21 ARG 28 -22.333 17.016 17.016 208 2HH2 ARG 28 HH22 ARG 28 -20.789 17.790 17.790 209 H LEU 29 HN LEU 29 -18.363 9.680 9.680 210 HA LEU 29 HA LEU 29 -20.451 7.832 7.832 211 1HB LEU 29 HB1 LEU 29 -17.531 7.635 7.635 212 2HB LEU 29 HB2 LEU 29 -18.344 6.253 6.253 213 HG LEU 29 HG LEU 29 -19.236 7.584 7.584 214 1HD1 LEU 29 HD12 LEU 29 -16.912 6.124 6.124 215 2HD1 LEU 29 HD11 LEU 29 -18.070 4.947 4.947 216 3HD1 LEU 29 HD13 LEU 29 -17.742 6.423 6.423 217 1HD2 LEU 29 HD23 LEU 29 -20.447 5.687 5.687 218 2HD2 LEU 29 HD22 LEU 29 -21.008 6.263 6.263 219 3HD2 LEU 29 HD21 LEU 29 -19.963 4.846 4.846 220 H LEU 30 HN LEU 30 -17.280 8.079 8.079 221 HA LEU 30 HA LEU 30 -18.284 6.938 6.938 222 1HB LEU 30 HB1 LEU 30 -15.655 8.241 8.241 223 2HB LEU 30 HB2 LEU 30 -15.998 7.528 7.528 224 HG LEU 30 HG LEU 30 -15.837 6.105 6.105 225 1HD1 LEU 30 HD13 LEU 30 -14.078 6.397 6.397 226 2HD1 LEU 30 HD12 LEU 30 -14.163 4.801 4.801 227 3HD1 LEU 30 HD11 LEU 30 -13.671 6.198 6.198 228 1HD2 LEU 30 HD23 LEU 30 -17.006 5.272 5.272 229 2HD2 LEU 30 HD22 LEU 30 -17.510 4.880 4.880 230 3HD2 LEU 30 HD21 LEU 30 -16.103 4.084 4.084 231 H HIS 31 HN HIS 31 -17.330 10.211 10.211 232 HA HIS 31 HA HIS 31 -17.780 11.347 11.347 233 1HB HIS 31 HB2 HIS 31 -16.645 12.200 12.200 234 2HB HIS 31 HB1 HIS 31 -18.002 13.284 13.284 235 HD2 HIS 31 HD2 HIS 31 -14.399 13.070 13.070 236 HE1 HIS 31 HE1 HIS 31 -16.174 15.262 15.262 237 HE2 HIS 31 HE2 HIS 31 -13.988 14.459 14.459 238 H ARG 32 HN ARG 32 -19.884 10.299 10.299 239 HA ARG 32 HA ARG 32 -22.087 11.757 11.757 240 1HB ARG 32 HB1 ARG 32 -21.163 12.214 12.214 241 2HB ARG 32 HB2 ARG 32 -22.689 11.352 11.352 242 1HG ARG 32 HG2 ARG 32 -22.679 13.564 13.564 243 2HG ARG 32 HG1 ARG 32 -22.464 14.029 14.029 244 1HD ARG 32 HD1 ARG 32 -24.585 12.054 12.054 245 2HD ARG 32 HD2 ARG 32 -24.867 13.670 13.670 246 HE ARG 32 HE ARG 32 -24.042 13.605 13.605 247 1HH1 ARG 32 HH11 ARG 32 -26.716 13.565 13.565 248 2HH1 ARG 32 HH12 ARG 32 -27.863 14.140 14.140 249 1HH2 ARG 32 HH21 ARG 32 -25.542 14.365 14.365 250 2HH2 ARG 32 HH22 ARG 32 -27.196 14.595 14.595 251 H GLU 33 HN GLU 33 -21.997 9.556 9.556 252 HA GLU 33 HA GLU 33 -24.189 8.070 8.070 253 1HB GLU 33 HB2 GLU 33 -22.460 7.847 7.847 254 2HB GLU 33 HB1 GLU 33 -21.645 6.700 6.700 255 1HG GLU 33 HG2 GLU 33 -24.492 6.170 6.170 256 2HG GLU 33 HG1 GLU 33 -23.605 6.107 6.107 257 H LEU 34 HN LEU 34 -21.201 7.926 7.926 258 HA LEU 34 HA LEU 34 -20.607 6.866 6.866 259 1HB LEU 34 HB1 LEU 34 -23.491 7.157 7.157 260 2HB LEU 34 HB2 LEU 34 -22.944 5.735 5.735 261 HG LEU 34 HG LEU 34 -22.092 8.591 8.591 262 1HD1 LEU 34 HD11 LEU 34 -23.742 6.603 6.603 263 2HD1 LEU 34 HD13 LEU 34 -23.001 8.007 8.007 264 3HD1 LEU 34 HD12 LEU 34 -24.181 8.230 8.230 265 1HD2 LEU 34 HD23 LEU 34 -20.897 6.009 6.009 266 2HD2 LEU 34 HD22 LEU 34 -20.122 7.547 7.547 267 3HD2 LEU 34 HD21 LEU 34 -20.953 7.332 7.332 268 H VAL 35 HN VAL 35 -20.220 5.419 5.419 269 HA VAL 35 HA VAL 35 -21.343 2.784 2.784 270 HB VAL 35 HB VAL 35 -18.946 3.641 3.641 271 1HG1 VAL 35 HG11 VAL 35 -20.746 1.240 1.240 272 2HG1 VAL 35 HG13 VAL 35 -19.829 1.721 1.721 273 3HG1 VAL 35 HG12 VAL 35 -18.985 1.304 1.304 274 1HG2 VAL 35 HG21 VAL 35 -21.746 4.304 4.304 275 2HG2 VAL 35 HG23 VAL 35 -20.345 4.907 4.907 276 3HG2 VAL 35 HG22 VAL 35 -21.137 3.418 3.418 277 H HIS 36 HN HIS 36 -20.131 0.846 0.846 278 HA HIS 36 HA HIS 36 -18.364 1.108 1.108 279 1HB HIS 36 HB2 HIS 36 -20.088 -0.872 -0.872 280 2HB HIS 36 HB1 HIS 36 -18.475 -1.567 -1.567 281 HD2 HIS 36 HD2 HIS 36 -19.988 0.599 0.599 282 HE1 HIS 36 HE1 HIS 36 -18.519 -3.082 -3.082 283 HE2 HIS 36 HE2 HIS 36 -19.423 -0.796 -0.796 284 HA PRO 37 HA PRO 37 -14.601 1.090 1.090 285 1HB PRO 37 HB1 PRO 37 -12.874 0.746 0.746 286 2HB PRO 37 HB2 PRO 37 -13.735 2.267 2.267 287 1HG PRO 37 HG2 PRO 37 -14.338 0.047 0.047 288 2HG PRO 37 HG1 PRO 37 -14.384 1.798 1.798 289 1HD PRO 37 HD2 PRO 37 -16.610 0.300 0.300 290 2HD PRO 37 HD1 PRO 37 -16.471 2.012 2.012 291 H ASP 38 HN ASP 38 -15.928 -1.556 -1.556 292 HA ASP 38 HA ASP 38 -13.748 -3.351 -3.351 293 1HB ASP 38 HB2 ASP 38 -14.822 -3.332 -3.332 294 2HB ASP 38 HB1 ASP 38 -16.131 -4.221 -4.221 295 H ALA 39 HN ALA 39 -16.113 -2.071 -2.071 296 HA ALA 39 HA ALA 39 -17.857 -4.066 -4.066 297 1HB ALA 39 HB3 ALA 39 -16.871 -1.509 -1.509 298 2HB ALA 39 HB2 ALA 39 -17.764 -2.614 -2.614 299 3HB ALA 39 HB1 ALA 39 -18.509 -1.999 -1.999 300 H LEU 40 HN LEU 40 -17.620 -5.830 -5.830 301 HA LEU 40 HA LEU 40 -15.159 -6.102 -6.102 302 1HB LEU 40 HB1 LEU 40 -16.637 -8.431 -8.431 303 2HB LEU 40 HB2 LEU 40 -14.999 -8.380 -8.380 304 HG LEU 40 HG LEU 40 -15.004 -6.551 -6.551 305 1HD1 LEU 40 HD11 LEU 40 -17.227 -8.040 -8.040 306 2HD1 LEU 40 HD13 LEU 40 -16.008 -8.991 -8.991 307 3HD1 LEU 40 HD12 LEU 40 -16.257 -7.297 -7.297 308 1HD2 LEU 40 HD23 LEU 40 -14.093 -9.424 -9.424 309 2HD2 LEU 40 HD22 LEU 40 -13.175 -8.025 -8.025 310 3HD2 LEU 40 HD21 LEU 40 -13.558 -8.201 -8.201 311 H ASN 41 HN ASN 41 -15.402 -6.543 -6.543 312 HA ASN 41 HA ASN 41 -17.813 -6.357 -6.357 313 1HB ASN 41 HB2 ASN 41 -15.371 -7.872 -7.872 314 2HB ASN 41 HB1 ASN 41 -16.651 -7.218 -7.218 315 1HD2 ASN 41 HD22 ASN 41 -13.885 -4.852 -4.852 316 2HD2 ASN 41 HD21 ASN 41 -14.216 -6.481 -6.481 317 H ARG 42 HN ARG 42 -15.985 -9.353 -9.353 318 HA ARG 42 HA ARG 42 -18.210 -10.872 -10.872 319 1HB ARG 42 HB1 ARG 42 -17.997 -10.488 -10.488 320 2HB ARG 42 HB2 ARG 42 -17.632 -12.172 -12.172 321 1HG ARG 42 HG1 ARG 42 -20.027 -10.935 -10.935 322 2HG ARG 42 HG2 ARG 42 -20.089 -11.379 -11.379 323 1HD ARG 42 HD2 ARG 42 -20.250 -13.552 -13.552 324 2HD ARG 42 HD1 ARG 42 -18.921 -13.472 -13.472 325 HE ARG 42 HE ARG 42 -21.322 -12.342 -12.342 326 1HH1 ARG 42 HH11 ARG 42 -19.668 -15.344 -15.344 327 2HH1 ARG 42 HH12 ARG 42 -20.489 -16.206 -16.206 328 1HH2 ARG 42 HH21 ARG 42 -22.412 -13.467 -13.467 329 2HH2 ARG 42 HH22 ARG 42 -22.052 -15.139 -15.139 330 H PHE 43 HN PHE 43 -15.227 -11.190 -11.190 331 HA PHE 43 HA PHE 43 -14.479 -13.728 -13.728 332 1HB PHE 43 HB1 PHE 43 -13.398 -12.151 -12.151 333 2HB PHE 43 HB2 PHE 43 -12.448 -11.544 -11.544 334 HD1 PHE 43 HD2 PHE 43 -12.988 -14.800 -14.800 335 HD2 PHE 43 HD1 PHE 43 -10.836 -12.506 -12.506 336 HE1 PHE 43 HE2 PHE 43 -11.395 -16.658 -16.658 337 HE2 PHE 43 HE1 PHE 43 -9.239 -14.361 -14.361 338 HZ PHE 43 HZ PHE 43 -9.517 -16.439 -16.439 339 H GLY 44 HN GLY 44 -14.081 -10.646 -10.646 340 1HA GLY 44 HA1 GLY 44 -14.165 -10.867 -10.867 341 2HA GLY 44 HA2 GLY 44 -12.937 -12.109 -12.109 342 H LYS 45 HN LYS 45 -12.942 -9.172 -9.172 343 HA LYS 45 HA LYS 45 -10.401 -8.430 -8.430 344 1HB LYS 45 HB2 LYS 45 -11.494 -7.032 -7.032 345 2HB LYS 45 HB1 LYS 45 -9.823 -7.360 -7.360 346 1HG LYS 45 HG2 LYS 45 -9.915 -9.545 -9.545 347 2HG LYS 45 HG1 LYS 45 -11.678 -9.596 -9.596 348 1HD LYS 45 HD2 LYS 45 -11.272 -9.394 -9.394 349 2HD LYS 45 HD1 LYS 45 -11.535 -7.717 -7.717 350 1HE LYS 45 HE2 LYS 45 -9.287 -7.182 -7.182 351 2HE LYS 45 HE1 LYS 45 -8.773 -8.860 -8.860 352 1HZ LYS 45 HZ1 LYS 45 -9.734 -9.276 -9.276 353 2HZ LYS 45 HZ3 LYS 45 -10.055 -7.622 -7.622 354 3HZ LYS 45 HZ2 LYS 45 -8.458 -8.165 -8.165 355 H THR 46 HN THR 46 -9.977 -6.276 -6.276 356 HA THR 46 HA THR 46 -12.358 -4.917 -4.917 357 HB THR 46 HB THR 46 -10.522 -3.526 -3.526 358 HG1 THR 46 HG1 THR 46 -8.963 -5.822 -5.822 359 1HG2 THR 46 HG22 THR 46 -11.898 -5.761 -5.761 360 2HG2 THR 46 HG21 THR 46 -10.221 -6.219 -6.219 361 3HG2 THR 46 HG23 THR 46 -10.884 -4.767 -4.767 362 H ALA 47 HN ALA 47 -12.604 -2.620 -2.620 363 HA ALA 47 HA ALA 47 -12.302 -1.647 -1.647 364 1HB ALA 47 HB3 ALA 47 -13.907 -0.877 -0.877 365 2HB ALA 47 HB2 ALA 47 -12.586 0.157 0.157 366 3HB ALA 47 HB1 ALA 47 -13.251 0.351 0.351 367 H LEU 48 HN LEU 48 -10.155 -1.552 -1.552 368 HA LEU 48 HA LEU 48 -8.504 0.581 0.581 369 1HB LEU 48 HB1 LEU 48 -8.582 -1.245 -1.245 370 2HB LEU 48 HB2 LEU 48 -6.949 -1.081 -1.081 371 HG LEU 48 HG LEU 48 -8.741 1.114 1.114 372 1HD1 LEU 48 HD11 LEU 48 -6.326 -0.315 -0.315 373 2HD1 LEU 48 HD13 LEU 48 -6.547 1.383 1.383 374 3HD1 LEU 48 HD12 LEU 48 -7.773 0.198 0.198 375 1HD2 LEU 48 HD21 LEU 48 -6.740 1.290 1.290 376 2HD2 LEU 48 HD23 LEU 48 -7.635 2.594 2.594 377 3HD2 LEU 48 HD22 LEU 48 -6.111 2.034 2.034 378 H GLN 49 HN GLN 49 -8.346 -2.949 -2.949 379 HA GLN 49 HA GLN 49 -5.829 -3.150 -3.150 380 1HB GLN 49 HB2 GLN 49 -7.853 -4.912 -4.912 381 2HB GLN 49 HB1 GLN 49 -7.711 -5.134 -5.134 382 1HG GLN 49 HG2 GLN 49 -5.524 -5.415 -5.415 383 2HG GLN 49 HG1 GLN 49 -6.292 -6.704 -6.704 384 1HE2 GLN 49 HE22 GLN 49 -3.313 -6.351 -6.351 385 2HE2 GLN 49 HE21 GLN 49 -4.021 -7.167 -7.167 386 H VAL 50 HN VAL 50 -9.056 -3.117 -3.117 387 HA VAL 50 HA VAL 50 -8.119 -3.101 -3.101 388 HB VAL 50 HB VAL 50 -10.425 -2.196 -2.196 389 1HG1 VAL 50 HG13 VAL 50 -9.741 -4.747 -4.747 390 2HG1 VAL 50 HG12 VAL 50 -11.463 -4.377 -4.377 391 3HG1 VAL 50 HG11 VAL 50 -10.495 -4.433 -4.433 392 1HG2 VAL 50 HG22 VAL 50 -10.412 -1.397 -1.397 393 2HG2 VAL 50 HG21 VAL 50 -11.840 -1.509 -1.509 394 3HG2 VAL 50 HG23 VAL 50 -11.422 -2.843 -2.843 395 H MET 51 HN MET 51 -8.409 -0.616 -0.616 396 HA MET 51 HA MET 51 -8.801 1.713 1.713 397 1HB MET 51 HB1 MET 51 -7.978 1.232 1.232 398 2HB MET 51 HB2 MET 51 -6.376 1.493 1.493 399 1HG MET 51 HG2 MET 51 -7.065 3.720 3.720 400 2HG MET 51 HG1 MET 51 -8.657 3.455 3.455 401 1HE MET 51 HE1 MET 51 -4.873 3.103 3.103 402 2HE MET 51 HE3 MET 51 -4.915 3.295 3.295 403 3HE MET 51 HE2 MET 51 -5.665 1.887 1.887 404 H MET 52 HN MET 52 -7.468 3.274 3.274 405 HA MET 52 HA MET 52 -5.239 2.055 2.055 406 1HB MET 52 HB1 MET 52 -5.877 3.166 3.166 407 2HB MET 52 HB2 MET 52 -7.427 2.748 2.748 408 1HG MET 52 HG1 MET 52 -7.998 4.876 4.876 409 2HG MET 52 HG2 MET 52 -6.780 5.237 5.237 410 1HE MET 52 HE2 MET 52 -7.578 7.371 7.371 411 2HE MET 52 HE1 MET 52 -6.376 8.112 8.112 412 3HE MET 52 HE3 MET 52 -7.700 7.172 7.172 413 H PHE 53 HN PHE 53 -5.343 3.646 3.646 414 HA PHE 53 HA PHE 53 -4.383 5.513 5.513 415 1HB PHE 53 HB2 PHE 53 -2.091 4.662 4.662 416 2HB PHE 53 HB1 PHE 53 -1.988 5.467 5.467 417 HD1 PHE 53 HD2 PHE 53 -3.600 2.394 2.394 418 HD2 PHE 53 HD1 PHE 53 -1.309 4.147 4.147 419 HE1 PHE 53 HE2 PHE 53 -3.458 0.201 0.201 420 HE2 PHE 53 HE1 PHE 53 -1.163 1.958 1.958 421 HZ PHE 53 HZ PHE 53 -2.248 -0.018 -0.018 422 H GLY 54 HN GLY 54 -5.897 6.198 6.198 423 1HA GLY 54 HA2 GLY 54 -4.413 7.990 7.990 424 2HA GLY 54 HA1 GLY 54 -6.164 7.898 7.898 425 H SER 55 HN SER 55 -7.211 9.034 9.034 426 HA SER 55 HA SER 55 -5.893 11.562 11.562 427 1HB SER 55 HB1 SER 55 -8.692 10.611 10.611 428 2HB SER 55 HB2 SER 55 -8.095 12.254 12.254 429 HG SER 55 HG SER 55 -7.562 12.012 12.012 430 HA PRO 56 HA PRO 56 -4.145 10.247 10.247 431 1HB PRO 56 HB2 PRO 56 -4.570 13.171 13.171 432 2HB PRO 56 HB1 PRO 56 -3.152 12.171 12.171 433 1HG PRO 56 HG2 PRO 56 -3.213 13.781 13.781 434 2HG PRO 56 HG1 PRO 56 -2.450 12.183 12.183 435 1HD PRO 56 HD1 PRO 56 -5.021 13.115 13.115 436 2HD PRO 56 HD2 PRO 56 -3.926 11.838 11.838 437 H ALA 57 HN ALA 57 -6.908 12.471 12.471 438 HA ALA 57 HA ALA 57 -7.804 12.120 12.120 439 1HB ALA 57 HB2 ALA 57 -8.676 13.499 13.499 440 2HB ALA 57 HB1 ALA 57 -10.044 12.644 12.644 441 3HB ALA 57 HB3 ALA 57 -9.116 13.783 13.783 442 H VAL 58 HN VAL 58 -8.060 10.096 10.096 443 HA VAL 58 HA VAL 58 -10.380 8.661 8.661 444 HB VAL 58 HB VAL 58 -7.927 7.951 7.951 445 1HG1 VAL 58 HG11 VAL 58 -8.840 5.906 5.906 446 2HG1 VAL 58 HG13 VAL 58 -10.422 6.299 6.299 447 3HG1 VAL 58 HG12 VAL 58 -9.068 5.962 5.962 448 1HG2 VAL 58 HG22 VAL 58 -10.010 9.586 9.586 449 2HG2 VAL 58 HG21 VAL 58 -9.042 8.721 8.721 450 3HG2 VAL 58 HG23 VAL 58 -10.580 8.049 8.049 451 H ALA 59 HN ALA 59 -6.953 7.863 7.863 452 HA ALA 59 HA ALA 59 -7.460 5.541 5.541 453 1HB ALA 59 HB1 ALA 59 -5.077 7.385 7.385 454 2HB ALA 59 HB3 ALA 59 -5.120 5.836 5.836 455 3HB ALA 59 HB2 ALA 59 -5.286 5.890 5.890 456 H LEU 60 HN LEU 60 -7.291 8.925 8.925 457 HA LEU 60 HA LEU 60 -7.082 8.642 8.642 458 1HB LEU 60 HB2 LEU 60 -6.645 10.771 10.771 459 2HB LEU 60 HB1 LEU 60 -8.161 10.805 10.805 460 HG LEU 60 HG LEU 60 -9.402 11.139 11.139 461 1HD1 LEU 60 HD22 LEU 60 -7.045 10.064 10.064 462 2HD1 LEU 60 HD21 LEU 60 -7.410 11.635 11.635 463 3HD1 LEU 60 HD23 LEU 60 -8.629 10.361 10.361 464 1HD2 LEU 60 HD13 LEU 60 -8.187 13.056 13.056 465 2HD2 LEU 60 HD12 LEU 60 -8.774 13.341 13.341 466 3HD2 LEU 60 HD11 LEU 60 -7.065 13.008 13.008 467 H GLU 61 HN GLU 61 -9.896 8.833 8.833 468 HA GLU 61 HA GLU 61 -11.863 8.895 8.895 469 1HB GLU 61 HB1 GLU 61 -11.933 7.969 7.969 470 2HB GLU 61 HB2 GLU 61 -13.362 7.984 7.984 471 1HG GLU 61 HG2 GLU 61 -13.673 10.145 10.145 472 2HG GLU 61 HG1 GLU 61 -12.014 10.518 10.518 473 H LEU 62 HN LEU 62 -10.605 6.148 6.148 474 HA LEU 62 HA LEU 62 -12.134 4.172 4.172 475 1HB LEU 62 HB2 LEU 62 -9.553 4.148 4.148 476 2HB LEU 62 HB1 LEU 62 -10.205 2.680 2.680 477 HG LEU 62 HG LEU 62 -12.376 3.404 3.404 478 1HD1 LEU 62 HD23 LEU 62 -10.163 4.909 4.909 479 2HD1 LEU 62 HD22 LEU 62 -11.599 4.381 4.381 480 3HD1 LEU 62 HD21 LEU 62 -11.757 5.485 5.485 481 1HD2 LEU 62 HD11 LEU 62 -9.939 2.145 2.145 482 2HD2 LEU 62 HD13 LEU 62 -11.243 1.324 1.324 483 3HD2 LEU 62 HD12 LEU 62 -11.558 2.094 2.094 484 H LEU 63 HN LEU 63 -8.834 5.324 5.324 485 HA LEU 63 HA LEU 63 -8.277 3.513 3.513 486 1HB LEU 63 HB1 LEU 63 -6.952 5.627 5.627 487 2HB LEU 63 HB2 LEU 63 -7.001 6.068 6.068 488 HG LEU 63 HG LEU 63 -5.010 4.922 4.922 489 1HD1 LEU 63 HD21 LEU 63 -6.938 3.757 3.757 490 2HD1 LEU 63 HD23 LEU 63 -6.536 2.416 2.416 491 3HD1 LEU 63 HD22 LEU 63 -5.286 3.142 3.142 492 1HD2 LEU 63 HD13 LEU 63 -6.107 3.865 3.865 493 2HD2 LEU 63 HD12 LEU 63 -4.429 3.851 3.851 494 3HD2 LEU 63 HD11 LEU 63 -5.507 2.522 2.522 495 H LYS 64 HN LYS 64 -9.276 6.933 6.933 496 HA LYS 64 HA LYS 64 -9.636 6.968 6.968 497 1HB LYS 64 HB1 LYS 64 -9.465 8.937 8.937 498 2HB LYS 64 HB2 LYS 64 -11.193 8.710 8.710 499 1HG LYS 64 HG2 LYS 64 -11.617 9.152 9.152 500 2HG LYS 64 HG1 LYS 64 -9.887 9.221 9.221 501 1HD LYS 64 HD1 LYS 64 -10.675 11.029 11.029 502 2HD LYS 64 HD2 LYS 64 -11.517 11.363 11.363 503 1HE LYS 64 HE1 LYS 64 -9.441 11.581 11.581 504 2HE LYS 64 HE2 LYS 64 -8.531 11.042 11.042 505 1HZ LYS 64 HZ3 LYS 64 -9.988 13.178 13.178 506 2HZ LYS 64 HZ2 LYS 64 -9.476 13.653 13.653 507 3HZ LYS 64 HZ1 LYS 64 -8.338 13.179 13.179 508 H GLN 65 HN GLN 65 -11.426 5.438 5.438 509 HA GLN 65 HA GLN 65 -14.004 5.642 5.642 510 1HB GLN 65 HB1 GLN 65 -12.977 4.696 4.696 511 2HB GLN 65 HB2 GLN 65 -14.016 3.476 3.476 512 1HG GLN 65 HG2 GLN 65 -14.696 6.271 6.271 513 2HG GLN 65 HG1 GLN 65 -15.445 4.755 4.755 514 1HE2 GLN 65 HE22 GLN 65 -16.987 6.820 6.820 515 2HE2 GLN 65 HE21 GLN 65 -15.834 7.424 7.424 516 H GLY 66 HN GLY 66 -11.355 3.337 3.337 517 1HA GLY 66 HA1 GLY 66 -11.131 2.046 2.046 518 2HA GLY 66 HA2 GLY 66 -12.830 1.653 1.653 519 H ALA 67 HN ALA 67 -10.817 1.781 1.781 520 HA ALA 67 HA ALA 67 -11.292 -1.020 -1.020 521 1HB ALA 67 HB1 ALA 67 -10.961 1.204 1.204 522 2HB ALA 67 HB3 ALA 67 -9.475 0.288 0.288 523 3HB ALA 67 HB2 ALA 67 -11.038 -0.472 -0.472 524 H SER 68 HN SER 68 -9.634 -2.567 -2.567 525 HA SER 68 HA SER 68 -7.173 -2.069 -2.069 526 1HB SER 68 HB2 SER 68 -8.952 -4.404 -4.404 527 2HB SER 68 HB1 SER 68 -7.228 -4.775 -4.775 528 HG SER 68 HG SER 68 -7.029 -3.641 -3.641 529 HA PRO 69 HA PRO 69 -5.477 -2.156 -2.156 530 1HB PRO 69 HB2 PRO 69 -3.128 -0.972 -0.972 531 2HB PRO 69 HB1 PRO 69 -4.605 -0.064 -0.064 532 1HG PRO 69 HG1 PRO 69 -3.421 -0.864 -0.864 533 2HG PRO 69 HG2 PRO 69 -4.148 0.683 0.683 534 1HD PRO 69 HD1 PRO 69 -5.488 -1.161 -1.161 535 2HD PRO 69 HD2 PRO 69 -6.300 -0.095 -0.095 536 H ASN 70 HN ASN 70 -4.562 -3.635 -3.635 537 HA ASN 70 HA ASN 70 -2.176 -4.916 -4.916 538 1HB ASN 70 HB2 ASN 70 -3.576 -6.073 -6.073 539 2HB ASN 70 HB1 ASN 70 -1.879 -5.650 -5.650 540 1HD2 ASN 70 HD22 ASN 70 -2.193 -2.793 -2.793 541 2HD2 ASN 70 HD21 ASN 70 -1.242 -4.119 -4.119 542 H VAL 71 HN VAL 71 -3.806 -5.489 -5.489 543 HA VAL 71 HA VAL 71 -4.635 -8.277 -8.277 544 HB VAL 71 HB VAL 71 -6.470 -8.040 -8.040 545 1HG1 VAL 71 HG23 VAL 71 -6.326 -5.899 -5.899 546 2HG1 VAL 71 HG22 VAL 71 -7.788 -6.198 -6.198 547 3HG1 VAL 71 HG21 VAL 71 -7.121 -7.470 -7.470 548 1HG2 VAL 71 HG12 VAL 71 -5.292 -6.406 -6.406 549 2HG2 VAL 71 HG11 VAL 71 -6.993 -6.049 -6.049 550 3HG2 VAL 71 HG13 VAL 71 -5.739 -5.140 -5.140 551 H GLN 72 HN GLN 72 -4.558 -9.661 -9.661 552 HA GLN 72 HA GLN 72 -2.724 -8.715 -8.715 553 1HB GLN 72 HB2 GLN 72 -2.515 -11.333 -11.333 554 2HB GLN 72 HB1 GLN 72 -1.570 -10.915 -10.915 555 1HG GLN 72 HG1 GLN 72 -0.051 -9.987 -9.987 556 2HG GLN 72 HG2 GLN 72 -1.248 -8.808 -8.808 557 1HE2 GLN 72 HE22 GLN 72 -0.542 -10.006 -10.006 558 2HE2 GLN 72 HE21 GLN 72 -0.329 -8.730 -8.730 559 H ASP 73 HN ASP 73 -2.932 -9.730 -9.730 560 HA ASP 73 HA ASP 73 -5.252 -11.508 -11.508 561 1HB ASP 73 HB1 ASP 73 -4.698 -9.432 -9.432 562 2HB ASP 73 HB2 ASP 73 -5.563 -8.965 -8.965 563 H ALA 74 HN ALA 74 -5.071 -13.078 -13.078 564 HA ALA 74 HA ALA 74 -4.140 -14.338 -14.338 565 1HB ALA 74 HB2 ALA 74 -3.290 -11.958 -11.958 566 2HB ALA 74 HB1 ALA 74 -1.736 -12.606 -12.606 567 3HB ALA 74 HB3 ALA 74 -2.661 -13.437 -13.437 568 H SER 75 HN SER 75 -1.269 -12.931 -12.931 569 HA SER 75 HA SER 75 -0.665 -15.596 -15.596 570 1HB SER 75 HB1 SER 75 0.956 -13.878 -13.878 571 2HB SER 75 HB2 SER 75 1.816 -14.493 -14.493 572 HG SER 75 HG SER 75 2.048 -16.077 -16.077 573 H GLY 76 HN GLY 76 0.993 -12.462 -12.462 574 1HA GLY 76 HA1 GLY 76 0.083 -12.022 -12.022 575 2HA GLY 76 HA2 GLY 76 1.748 -12.578 -12.578 576 H THR 77 HN THR 77 -0.226 -10.273 -10.273 577 HA THR 77 HA THR 77 1.808 -8.221 -8.221 578 HB THR 77 HB THR 77 0.860 -7.478 -7.478 579 HG1 THR 77 HG1 THR 77 -0.196 -9.324 -9.324 580 1HG2 THR 77 HG22 THR 77 3.311 -8.364 -8.364 581 2HG2 THR 77 HG21 THR 77 3.054 -9.230 -9.230 582 3HG2 THR 77 HG23 THR 77 3.021 -7.468 -7.468 583 H SER 78 HN SER 78 0.868 -6.718 -6.718 584 HA SER 78 HA SER 78 -1.981 -6.267 -6.267 585 1HB SER 78 HB2 SER 78 -0.221 -4.430 -4.430 586 2HB SER 78 HB1 SER 78 -1.739 -5.193 -5.193 587 HG SER 78 HG SER 78 0.873 -6.173 -6.173 588 HA PRO 79 HA PRO 79 -2.448 -2.533 -2.533 589 1HB PRO 79 HB1 PRO 79 -2.441 -0.806 -0.806 590 2HB PRO 79 HB2 PRO 79 -3.636 -0.922 -0.922 591 1HG PRO 79 HG1 PRO 79 -4.108 -1.995 -1.995 592 2HG PRO 79 HG2 PRO 79 -4.630 -2.809 -2.809 593 1HD PRO 79 HD2 PRO 79 -2.325 -3.428 -3.428 594 2HD PRO 79 HD1 PRO 79 -3.386 -4.532 -4.532 595 H VAL 80 HN VAL 80 -0.300 -1.849 -1.849 596 HA VAL 80 HA VAL 80 1.171 0.211 0.211 597 HB VAL 80 HB VAL 80 2.752 -0.158 -0.158 598 1HG1 VAL 80 HG11 VAL 80 0.364 0.145 0.145 599 2HG1 VAL 80 HG13 VAL 80 0.379 -1.578 -1.578 600 3HG1 VAL 80 HG12 VAL 80 1.506 -0.487 -0.487 601 1HG2 VAL 80 HG23 VAL 80 1.979 -3.069 -3.069 602 2HG2 VAL 80 HG22 VAL 80 3.487 -2.374 -2.374 603 3HG2 VAL 80 HG21 VAL 80 3.116 -2.335 -2.335 604 H HIS 81 HN HIS 81 1.598 -3.272 -3.272 605 HA HIS 81 HA HIS 81 4.067 -3.325 -3.325 606 1HB HIS 81 HB2 HIS 81 1.621 -5.047 -5.047 607 2HB HIS 81 HB1 HIS 81 3.162 -5.386 -5.386 608 HD2 HIS 81 HD2 HIS 81 4.957 -6.743 -6.743 609 HE1 HIS 81 HE1 HIS 81 2.828 -6.514 -6.514 610 HE2 HIS 81 HE2 HIS 81 4.737 -7.645 -7.645 611 H ASP 82 HN ASP 82 0.985 -3.555 -3.555 612 HA ASP 82 HA ASP 82 1.994 -3.028 -3.028 613 1HB ASP 82 HB1 ASP 82 -0.658 -1.873 -1.873 614 2HB ASP 82 HB2 ASP 82 -0.515 -3.491 -3.491 615 H ALA 83 HN ALA 83 0.749 -0.742 -0.742 616 HA ALA 83 HA ALA 83 0.861 1.587 1.587 617 1HB ALA 83 HB2 ALA 83 0.104 1.038 1.038 618 2HB ALA 83 HB1 ALA 83 1.654 1.814 1.814 619 3HB ALA 83 HB3 ALA 83 0.410 2.675 2.675 620 H ALA 84 HN ALA 84 3.382 0.141 0.141 621 HA ALA 84 HA ALA 84 5.330 2.123 2.123 622 1HB ALA 84 HB1 ALA 84 5.133 -0.112 -0.112 623 2HB ALA 84 HB3 ALA 84 6.447 -0.507 -0.507 624 3HB ALA 84 HB2 ALA 84 6.526 0.962 0.962 625 H ARG 85 HN ARG 85 4.667 -0.994 -0.994 626 HA ARG 85 HA ARG 85 6.866 -0.823 -0.823 627 1HB ARG 85 HB1 ARG 85 5.667 -2.936 -2.936 628 2HB ARG 85 HB2 ARG 85 4.390 -2.503 -2.503 629 1HG ARG 85 HG1 ARG 85 5.540 -3.259 -3.259 630 2HG ARG 85 HG2 ARG 85 7.019 -2.444 -2.444 631 1HD ARG 85 HD1 ARG 85 7.869 -4.345 -4.345 632 2HD ARG 85 HD2 ARG 85 6.429 -4.650 -4.650 633 HE ARG 85 HE ARG 85 5.896 -5.280 -5.280 634 1HH1 ARG 85 HH21 ARG 85 7.732 -6.427 -6.427 635 2HH1 ARG 85 HH22 ARG 85 7.687 -8.085 -8.085 636 1HH2 ARG 85 HH11 ARG 85 5.831 -7.459 -7.459 637 2HH2 ARG 85 HH12 ARG 85 6.604 -8.672 -8.672 638 H THR 86 HN THR 86 3.496 0.135 0.135 639 HA THR 86 HA THR 86 3.414 0.627 0.627 640 HB THR 86 HB THR 86 1.300 1.858 1.858 641 HG1 THR 86 HG1 THR 86 0.596 1.636 1.636 642 1HG2 THR 86 HG23 THR 86 1.817 -0.951 -0.951 643 2HG2 THR 86 HG22 THR 86 0.383 -0.287 -0.287 644 3HG2 THR 86 HG21 THR 86 0.546 -0.207 -0.207 645 H GLY 87 HN GLY 87 2.813 3.077 3.077 646 1HA GLY 87 HA1 GLY 87 4.764 4.818 4.818 647 2HA GLY 87 HA2 GLY 87 4.241 5.016 5.016 648 H PHE 88 HN PHE 88 2.905 4.977 4.977 649 HA PHE 88 HA PHE 88 1.392 7.396 7.396 650 1HB PHE 88 HB2 PHE 88 0.220 4.886 4.886 651 2HB PHE 88 HB1 PHE 88 -0.594 6.447 6.447 652 HD1 PHE 88 HD2 PHE 88 -0.320 7.549 7.549 653 HD2 PHE 88 HD1 PHE 88 -0.721 3.439 3.439 654 HE1 PHE 88 HE2 PHE 88 -1.254 7.068 7.068 655 HE2 PHE 88 HE1 PHE 88 -1.654 2.950 2.950 656 HZ PHE 88 HZ PHE 88 -1.922 4.767 4.767 657 H LEU 89 HN LEU 89 3.652 7.563 7.563 658 HA LEU 89 HA LEU 89 3.712 7.119 7.119 659 1HB LEU 89 HB2 LEU 89 5.559 8.005 8.005 660 2HB LEU 89 HB1 LEU 89 4.819 9.587 9.587 661 HG LEU 89 HG LEU 89 5.236 9.608 9.608 662 1HD1 LEU 89 HD22 LEU 89 6.086 6.767 6.767 663 2HD1 LEU 89 HD21 LEU 89 6.639 7.691 7.691 664 3HD1 LEU 89 HD23 LEU 89 4.915 7.402 7.402 665 1HD2 LEU 89 HD13 LEU 89 7.670 8.719 8.719 666 2HD2 LEU 89 HD12 LEU 89 7.045 10.365 10.365 667 3HD2 LEU 89 HD11 LEU 89 7.685 9.569 9.569 668 H ASP 90 HN ASP 90 1.718 9.298 9.298 669 HA ASP 90 HA ASP 90 1.300 11.267 11.267 670 1HB ASP 90 HB1 ASP 90 -0.592 11.954 11.954 671 2HB ASP 90 HB2 ASP 90 -0.746 10.365 10.365 672 H THR 91 HN THR 91 -1.129 8.865 8.865 673 HA THR 91 HA THR 91 -2.431 8.983 8.983 674 HB THR 91 HB THR 91 -2.946 6.744 6.744 675 HG1 THR 91 HG1 THR 91 -4.048 9.257 9.257 676 1HG2 THR 91 HG22 THR 91 -4.306 7.761 7.761 677 2HG2 THR 91 HG21 THR 91 -5.179 8.408 8.408 678 3HG2 THR 91 HG23 THR 91 -4.947 6.667 6.667 679 H LEU 92 HN LEU 92 -0.051 6.917 6.917 680 HA LEU 92 HA LEU 92 -0.247 4.685 4.685 681 1HB LEU 92 HB1 LEU 92 1.096 4.526 4.526 682 2HB LEU 92 HB2 LEU 92 2.078 5.897 5.897 683 HG LEU 92 HG LEU 92 2.043 3.331 3.331 684 1HD1 LEU 92 HD11 LEU 92 2.769 3.262 3.262 685 2HD1 LEU 92 HD13 LEU 92 4.259 3.930 3.930 686 3HD1 LEU 92 HD12 LEU 92 3.651 2.380 2.380 687 1HD2 LEU 92 HD21 LEU 92 3.443 5.891 5.891 688 2HD2 LEU 92 HD23 LEU 92 3.183 4.667 4.667 689 3HD2 LEU 92 HD22 LEU 92 4.505 4.486 4.486 690 H LYS 93 HN LYS 93 1.302 7.796 7.796 691 HA LYS 93 HA LYS 93 2.786 7.161 7.161 692 1HB LYS 93 HB1 LYS 93 2.039 9.588 9.588 693 2HB LYS 93 HB2 LYS 93 2.362 9.833 9.833 694 1HG LYS 93 HG1 LYS 93 4.441 8.214 8.214 695 2HG LYS 93 HG2 LYS 93 4.197 9.393 9.393 696 1HD LYS 93 HD1 LYS 93 4.713 11.184 11.184 697 2HD LYS 93 HD2 LYS 93 4.280 10.321 10.321 698 1HE LYS 93 HE1 LYS 93 6.294 9.194 9.194 699 2HE LYS 93 HE2 LYS 93 6.590 9.376 9.376 700 1HZ LYS 93 HZ2 LYS 93 6.510 11.934 11.934 701 2HZ LYS 93 HZ1 LYS 93 7.400 11.055 11.055 702 3HZ LYS 93 HZ3 LYS 93 7.887 11.078 11.078 703 H VAL 94 HN VAL 94 -0.321 8.883 8.883 704 HA VAL 94 HA VAL 94 -0.886 9.330 9.330 705 HB VAL 94 HB VAL 94 -3.332 9.125 9.125 706 1HG1 VAL 94 HG12 VAL 94 -1.401 11.112 11.112 707 2HG1 VAL 94 HG11 VAL 94 -2.331 11.085 11.085 708 3HG1 VAL 94 HG13 VAL 94 -3.152 11.317 11.317 709 1HG2 VAL 94 HG22 VAL 94 -1.986 8.778 8.778 710 2HG2 VAL 94 HG21 VAL 94 -3.063 7.635 7.635 711 3HG2 VAL 94 HG23 VAL 94 -3.687 9.181 9.181 712 H LEU 95 HN LEU 95 -1.741 6.480 6.480 713 HA LEU 95 HA LEU 95 -2.975 5.119 5.119 714 1HB LEU 95 HB1 LEU 95 -2.889 3.144 3.144 715 2HB LEU 95 HB2 LEU 95 -3.718 4.553 4.553 716 HG LEU 95 HG LEU 95 -1.133 4.894 4.894 717 1HD1 LEU 95 HD12 LEU 95 -0.858 2.457 2.457 718 2HD1 LEU 95 HD11 LEU 95 -1.784 2.039 2.039 719 3HD1 LEU 95 HD13 LEU 95 -0.250 2.895 2.895 720 1HD2 LEU 95 HD21 LEU 95 -3.594 4.901 4.901 721 2HD2 LEU 95 HD23 LEU 95 -2.127 4.899 4.899 722 3HD2 LEU 95 HD22 LEU 95 -2.993 3.391 3.391 723 H VAL 96 HN VAL 96 0.128 4.653 4.653 724 HA VAL 96 HA VAL 96 1.029 2.583 2.583 725 HB VAL 96 HB VAL 96 2.548 4.423 4.423 726 1HG1 VAL 96 HG13 VAL 96 3.506 2.439 2.439 727 2HG1 VAL 96 HG12 VAL 96 4.198 2.316 2.316 728 3HG1 VAL 96 HG11 VAL 96 4.334 3.824 3.824 729 1HG2 VAL 96 HG22 VAL 96 1.126 1.880 1.880 730 2HG2 VAL 96 HG21 VAL 96 1.553 3.086 3.086 731 3HG2 VAL 96 HG23 VAL 96 2.745 1.892 1.892 732 H GLU 97 HN GLU 97 1.883 6.049 6.049 733 HA GLU 97 HA GLU 97 3.701 6.093 6.093 734 1HB GLU 97 HB2 GLU 97 3.452 8.409 8.409 735 2HB GLU 97 HB1 GLU 97 2.943 7.990 7.990 736 1HG GLU 97 HG1 GLU 97 1.039 8.399 8.399 737 2HG GLU 97 HG2 GLU 97 1.512 9.673 9.673 738 H HIS 98 HN HIS 98 0.219 5.894 5.894 739 HA HIS 98 HA HIS 98 -0.034 6.530 6.530 740 1HB HIS 98 HB1 HIS 98 -1.920 6.799 6.799 741 2HB HIS 98 HB2 HIS 98 -1.927 5.067 5.067 742 HD2 HIS 98 HD2 HIS 98 -4.665 5.963 5.963 743 HE1 HIS 98 HE1 HIS 98 -3.264 4.928 4.928 744 HE2 HIS 98 HE2 HIS 98 -5.319 5.252 5.252 745 H GLY 99 HN GLY 99 0.362 3.571 3.571 746 1HA GLY 99 HA2 GLY 99 1.692 1.879 1.879 747 2HA GLY 99 HA1 GLY 99 0.406 2.047 2.047 748 H ALA 100 HN ALA 100 0.798 1.368 1.368 749 HA ALA 100 HA ALA 100 -1.555 -0.349 -0.349 750 1HB ALA 100 HB1 ALA 100 0.199 0.528 0.528 751 2HB ALA 100 HB3 ALA 100 -1.234 -0.488 -0.488 752 3HB ALA 100 HB2 ALA 100 -1.388 1.170 1.170 753 H ASP 101 HN ASP 101 1.187 -0.959 -0.959 754 HA ASP 101 HA ASP 101 2.483 -2.794 -2.794 755 1HB ASP 101 HB1 ASP 101 0.533 -4.089 -4.089 756 2HB ASP 101 HB2 ASP 101 0.128 -4.054 -4.054 757 H VAL 102 HN VAL 102 3.940 -1.615 -1.615 758 HA VAL 102 HA VAL 102 4.162 -2.746 -2.746 759 HB VAL 102 HB VAL 102 5.788 -1.086 -1.086 760 1HG1 VAL 102 HG12 VAL 102 3.285 -0.382 -0.382 761 2HG1 VAL 102 HG11 VAL 102 4.480 0.872 0.872 762 3HG1 VAL 102 HG13 VAL 102 4.142 0.399 0.399 763 1HG2 VAL 102 HG22 VAL 102 6.135 -1.061 -1.061 764 2HG2 VAL 102 HG21 VAL 102 7.340 -0.984 -0.984 765 3HG2 VAL 102 HG23 VAL 102 6.407 0.452 0.452 766 H ASN 103 HN ASN 103 4.842 -4.073 -4.073 767 HA ASN 103 HA ASN 103 7.576 -4.919 -4.919 768 1HB ASN 103 HB1 ASN 103 6.268 -4.303 -4.303 769 2HB ASN 103 HB2 ASN 103 6.867 -5.958 -5.958 770 1HD2 ASN 103 HD22 ASN 103 9.547 -2.896 -2.896 771 2HD2 ASN 103 HD21 ASN 103 7.940 -2.755 -2.755 772 H ALA 104 HN ALA 104 5.406 -5.945 -5.945 773 HA ALA 104 HA ALA 104 5.597 -8.775 -8.775 774 1HB ALA 104 HB2 ALA 104 3.088 -7.246 -7.246 775 2HB ALA 104 HB1 ALA 104 3.186 -8.988 -8.988 776 3HB ALA 104 HB3 ALA 104 3.436 -8.323 -8.323 777 H LEU 105 HN LEU 105 6.109 -10.086 -10.086 778 HA LEU 105 HA LEU 105 6.295 -8.956 -8.956 779 1HB LEU 105 HB1 LEU 105 7.499 -11.532 -11.532 780 2HB LEU 105 HB2 LEU 105 8.259 -9.983 -9.983 781 HG LEU 105 HG LEU 105 9.375 -10.956 -10.956 782 1HD1 LEU 105 HD23 LEU 105 7.995 -8.533 -8.533 783 2HD1 LEU 105 HD22 LEU 105 7.894 -9.339 -9.339 784 3HD1 LEU 105 HD21 LEU 105 9.468 -9.038 -9.038 785 1HD2 LEU 105 HD13 LEU 105 6.741 -11.936 -11.936 786 2HD2 LEU 105 HD12 LEU 105 8.335 -12.574 -12.574 787 3HD2 LEU 105 HD11 LEU 105 7.619 -11.295 -11.295 788 H ASP 106 HN ASP 106 6.253 -10.994 -10.994 789 HA ASP 106 HA ASP 106 3.549 -12.045 -12.045 790 1HB ASP 106 HB2 ASP 106 3.724 -10.905 -10.905 791 2HB ASP 106 HB1 ASP 106 3.927 -12.593 -12.593 792 H SER 107 HN SER 107 5.524 -13.309 -13.309 793 HA SER 107 HA SER 107 6.032 -15.461 -15.461 794 1HB SER 107 HB2 SER 107 4.592 -16.983 -16.983 795 2HB SER 107 HB1 SER 107 4.063 -15.816 -15.816 796 HG SER 107 HG SER 107 5.408 -16.693 -16.693 797 H THR 108 HN THR 108 7.513 -13.602 -13.602 798 HA THR 108 HA THR 108 9.497 -15.615 -15.615 799 HB THR 108 HB THR 108 8.476 -14.519 -14.519 800 HG1 THR 108 HG1 THR 108 11.136 -13.783 -13.783 801 1HG2 THR 108 HG22 THR 108 7.812 -12.412 -12.412 802 2HG2 THR 108 HG21 THR 108 9.504 -11.914 -11.914 803 3HG2 THR 108 HG23 THR 108 8.655 -12.171 -12.171 804 H GLY 109 HN GLY 109 9.011 -13.630 -13.630 805 1HA GLY 109 HA1 GLY 109 10.374 -12.581 -12.581 806 2HA GLY 109 HA2 GLY 109 11.710 -13.422 -13.422 807 H SER 110 HN SER 110 9.886 -11.485 -11.485 808 HA SER 110 HA SER 110 12.065 -9.530 -9.530 809 1HB SER 110 HB1 SER 110 9.850 -10.029 -10.029 810 2HB SER 110 HB2 SER 110 11.225 -8.947 -8.947 811 HG SER 110 HG SER 110 12.111 -10.666 -10.666 812 H LEU 111 HN LEU 111 11.520 -8.164 -8.164 813 HA LEU 111 HA LEU 111 9.038 -7.171 -7.171 814 1HB LEU 111 HB1 LEU 111 11.796 -6.016 -6.016 815 2HB LEU 111 HB2 LEU 111 10.399 -5.094 -5.094 816 HG LEU 111 HG LEU 111 11.044 -7.846 -7.846 817 1HD1 LEU 111 HD13 LEU 111 12.785 -5.988 -5.988 818 2HD1 LEU 111 HD12 LEU 111 11.562 -5.306 -5.306 819 3HD1 LEU 111 HD11 LEU 111 12.193 -6.926 -6.926 820 1HD2 LEU 111 HD22 LEU 111 8.728 -6.383 -6.383 821 2HD2 LEU 111 HD21 LEU 111 9.204 -7.664 -7.664 822 3HD2 LEU 111 HD23 LEU 111 9.536 -5.978 -5.978 823 HA PRO 112 HA PRO 112 7.455 -4.619 -4.619 824 1HB PRO 112 HB1 PRO 112 7.118 -2.602 -2.602 825 2HB PRO 112 HB2 PRO 112 5.953 -3.155 -3.155 826 1HG PRO 112 HG1 PRO 112 5.823 -4.035 -4.035 827 2HG PRO 112 HG2 PRO 112 5.507 -5.126 -5.126 828 1HD PRO 112 HD2 PRO 112 7.895 -4.946 -4.946 829 2HD PRO 112 HD1 PRO 112 7.185 -6.362 -6.362 830 H ILE 113 HN ILE 113 9.621 -3.044 -3.044 831 HA ILE 113 HA ILE 113 10.328 -0.846 -0.846 832 HB ILE 113 HB ILE 113 10.848 -0.822 -0.822 833 1HG1 ILE 113 HG12 ILE 113 13.011 -0.549 -0.549 834 2HG1 ILE 113 HG11 ILE 113 12.360 0.638 0.638 835 1HG2 ILE 113 HG21 ILE 113 11.238 -3.283 -3.283 836 2HG2 ILE 113 HG23 ILE 113 12.852 -3.018 -3.018 837 3HG2 ILE 113 HG22 ILE 113 12.399 -2.293 -2.293 838 1HD1 ILE 113 HD11 ILE 113 13.633 -0.443 -0.443 839 2HD1 ILE 113 HD13 ILE 113 14.347 -1.530 -1.530 840 3HD1 ILE 113 HD12 ILE 113 14.653 0.204 0.204 841 H HIS 114 HN HIS 114 11.504 -4.141 -4.141 842 HA HIS 114 HA HIS 114 13.864 -3.735 -3.735 843 1HB HIS 114 HB2 HIS 114 12.170 -6.135 -6.135 844 2HB HIS 114 HB1 HIS 114 13.513 -6.261 -6.261 845 HD2 HIS 114 HD2 HIS 114 15.778 -4.599 -4.599 846 HE1 HIS 114 HE1 HIS 114 14.899 -7.198 -7.198 847 HE2 HIS 114 HE2 HIS 114 16.663 -5.711 -5.711 848 H LEU 115 HN LEU 115 10.515 -4.160 -4.160 849 HA LEU 115 HA LEU 115 10.989 -4.771 -4.771 850 1HB LEU 115 HB2 LEU 115 8.440 -3.489 -3.489 851 2HB LEU 115 HB1 LEU 115 8.718 -4.878 -4.878 852 HG LEU 115 HG LEU 115 8.765 -4.829 -4.829 853 1HD1 LEU 115 HD11 LEU 115 6.574 -4.858 -4.858 854 2HD1 LEU 115 HD13 LEU 115 7.014 -6.535 -6.535 855 3HD1 LEU 115 HD12 LEU 115 6.772 -5.991 -5.991 856 1HD2 LEU 115 HD23 LEU 115 10.330 -6.430 -6.430 857 2HD2 LEU 115 HD22 LEU 115 9.812 -6.798 -6.798 858 3HD2 LEU 115 HD21 LEU 115 8.899 -7.424 -7.424 859 H ALA 116 HN ALA 116 10.062 -1.812 -1.812 860 HA ALA 116 HA ALA 116 9.782 -0.101 -0.101 861 1HB ALA 116 HB2 ALA 116 9.437 0.306 0.306 862 2HB ALA 116 HB1 ALA 116 11.116 0.845 0.845 863 3HB ALA 116 HB3 ALA 116 9.908 1.654 1.654 864 H ILE 117 HN ILE 117 12.720 -0.986 -0.986 865 HA ILE 117 HA ILE 117 14.543 0.684 0.684 866 HB ILE 117 HB ILE 117 14.895 -2.129 -2.129 867 1HG1 ILE 117 HG12 ILE 117 15.848 0.493 0.493 868 2HG1 ILE 117 HG11 ILE 117 14.308 -0.244 -0.244 869 1HG2 ILE 117 HG22 ILE 117 16.841 -0.288 -0.288 870 2HG2 ILE 117 HG21 ILE 117 17.387 -1.297 -1.297 871 3HG2 ILE 117 HG23 ILE 117 16.704 -2.044 -2.044 872 1HD1 ILE 117 HD12 ILE 117 16.321 -2.210 -2.210 873 2HD1 ILE 117 HD11 ILE 117 16.870 -0.734 -0.734 874 3HD1 ILE 117 HD13 ILE 117 15.324 -1.452 -1.452 875 H ARG 118 HN ARG 118 13.241 -2.418 -2.418 876 HA ARG 118 HA ARG 118 14.927 -2.796 -2.796 877 1HB ARG 118 HB1 ARG 118 12.049 -3.682 -3.682 878 2HB ARG 118 HB2 ARG 118 13.280 -4.387 -4.387 879 1HG ARG 118 HG1 ARG 118 14.292 -4.448 -4.448 880 2HG ARG 118 HG2 ARG 118 12.626 -5.027 -5.027 881 1HD ARG 118 HD2 ARG 118 14.021 -6.125 -6.125 882 2HD ARG 118 HD1 ARG 118 14.886 -6.467 -6.467 883 HE ARG 118 HE ARG 118 12.045 -7.020 -7.020 884 1HH1 ARG 118 HH21 ARG 118 15.254 -8.257 -8.257 885 2HH1 ARG 118 HH22 ARG 118 14.802 -9.908 -9.908 886 1HH2 ARG 118 HH11 ARG 118 11.439 -9.190 -9.190 887 2HH2 ARG 118 HH12 ARG 118 12.633 -10.440 -10.440 888 H GLU 119 HN GLU 119 12.327 -0.612 -0.612 889 HA GLU 119 HA GLU 119 12.229 -0.010 -0.010 890 1HB GLU 119 HB1 GLU 119 10.174 1.017 1.017 891 2HB GLU 119 HB2 GLU 119 10.020 0.643 0.643 892 1HG GLU 119 HG1 GLU 119 9.155 -1.321 -1.321 893 2HG GLU 119 HG2 GLU 119 10.648 -1.765 -1.765 894 H GLY 120 HN GLY 120 12.403 1.463 1.463 895 1HA GLY 120 HA2 GLY 120 13.533 3.388 3.388 896 2HA GLY 120 HA1 GLY 120 13.993 3.630 3.630 897 H HIS 121 HN HIS 121 10.694 3.068 3.068 898 HA HIS 121 HA HIS 121 9.712 5.280 5.280 899 1HB HIS 121 HB2 HIS 121 8.605 3.508 3.508 900 2HB HIS 121 HB1 HIS 121 7.702 4.954 4.954 901 HD2 HIS 121 HD2 HIS 121 7.184 1.568 1.568 902 HE1 HIS 121 HE1 HIS 121 7.040 3.332 3.332 903 HE2 HIS 121 HE2 HIS 121 6.626 1.217 1.217 904 H SER 122 HN SER 122 10.488 7.278 7.278 905 HA SER 122 HA SER 122 11.220 9.123 9.123 906 1HB SER 122 HB2 SER 122 8.536 8.845 8.845 907 2HB SER 122 HB1 SER 122 9.370 10.321 10.321 908 HG SER 122 HG SER 122 7.681 8.770 8.770 909 H SER 123 HN SER 123 10.005 9.803 9.803 910 HA SER 123 HA SER 123 12.106 8.726 8.726 911 1HB SER 123 HB2 SER 123 10.112 10.829 10.829 912 2HB SER 123 HB1 SER 123 10.310 9.946 9.946 913 HG SER 123 HG SER 123 12.180 11.463 11.463 914 H VAL 124 HN VAL 124 9.588 7.055 7.055 915 HA VAL 124 HA VAL 124 8.212 6.114 6.114 916 HB VAL 124 HB VAL 124 8.973 4.663 4.663 917 1HG1 VAL 124 HG13 VAL 124 7.911 3.598 3.598 918 2HG1 VAL 124 HG12 VAL 124 6.681 3.510 3.510 919 3HG1 VAL 124 HG11 VAL 124 8.262 2.769 2.769 920 1HG2 VAL 124 HG23 VAL 124 6.832 6.500 6.500 921 2HG2 VAL 124 HG22 VAL 124 7.450 6.096 6.096 922 3HG2 VAL 124 HG21 VAL 124 6.274 5.040 5.040 923 H VAL 125 HN VAL 125 11.111 4.756 4.756 924 HA VAL 125 HA VAL 125 11.615 2.680 2.680 925 HB VAL 125 HB VAL 125 14.125 3.335 3.335 926 1HG1 VAL 125 HG21 VAL 125 11.996 2.083 2.083 927 2HG1 VAL 125 HG23 VAL 125 13.604 2.305 2.305 928 3HG1 VAL 125 HG22 VAL 125 13.399 1.346 1.346 929 1HG2 VAL 125 HG11 VAL 125 12.860 5.510 5.510 930 2HG2 VAL 125 HG13 VAL 125 14.467 4.940 4.940 931 3HG2 VAL 125 HG12 VAL 125 13.061 4.465 4.465 932 H SER 126 HN SER 126 12.522 6.091 6.091 933 HA SER 126 HA SER 126 14.077 5.850 5.850 934 1HB SER 126 HB2 SER 126 14.173 8.191 8.191 935 2HB SER 126 HB1 SER 126 13.950 7.808 7.808 936 HG SER 126 HG SER 126 12.552 9.494 9.494 937 H PHE 127 HN PHE 127 10.677 6.340 6.340 938 HA PHE 127 HA PHE 127 9.994 6.965 6.965 939 1HB PHE 127 HB2 PHE 127 8.555 7.659 7.659 940 2HB PHE 127 HB1 PHE 127 8.260 5.974 5.974 941 HD1 PHE 127 HD1 PHE 127 8.329 7.539 7.539 942 HD2 PHE 127 HD2 PHE 127 5.969 5.722 5.722 943 HE1 PHE 127 HE1 PHE 127 6.394 7.501 7.501 944 HE2 PHE 127 HE2 PHE 127 4.028 5.681 5.681 945 HZ PHE 127 HZ PHE 127 4.241 6.572 6.572 946 H LEU 128 HN LEU 128 9.731 4.043 4.043 947 HA LEU 128 HA LEU 128 8.713 2.407 2.407 948 1HB LEU 128 HB2 LEU 128 9.502 2.095 2.095 949 2HB LEU 128 HB1 LEU 128 9.985 0.719 0.719 950 HG LEU 128 HG LEU 128 7.630 0.816 0.816 951 1HD1 LEU 128 HD13 LEU 128 8.380 -0.315 -0.315 952 2HD1 LEU 128 HD12 LEU 128 6.757 -0.558 -0.558 953 3HD1 LEU 128 HD11 LEU 128 8.161 -1.137 -1.137 954 1HD2 LEU 128 HD21 LEU 128 7.291 2.964 2.964 955 2HD2 LEU 128 HD23 LEU 128 5.969 1.948 1.948 956 3HD2 LEU 128 HD22 LEU 128 6.637 1.697 1.697 957 H ALA 129 HN ALA 129 11.791 3.643 3.643 958 HA ALA 129 HA ALA 129 13.522 1.628 1.628 959 1HB ALA 129 HB1 ALA 129 13.656 4.468 4.468 960 2HB ALA 129 HB3 ALA 129 14.593 4.004 4.004 961 3HB ALA 129 HB2 ALA 129 14.929 3.256 3.256 962 HA PRO 130 HA PRO 130 13.253 2.993 2.993 963 1HB PRO 130 HB2 PRO 130 11.745 5.119 5.119 964 2HB PRO 130 HB1 PRO 130 13.401 5.289 5.289 965 1HG PRO 130 HG2 PRO 130 10.817 5.668 5.668 966 2HG PRO 130 HG1 PRO 130 12.296 6.642 6.642 967 1HD PRO 130 HD2 PRO 130 11.620 4.774 4.774 968 2HD PRO 130 HD1 PRO 130 13.293 5.235 5.235 969 H GLU 131 HN GLU 131 10.076 3.959 3.959 970 HA GLU 131 HA GLU 131 8.452 2.973 2.973 971 1HB GLU 131 HB2 GLU 131 8.099 3.911 3.911 972 2HB GLU 131 HB1 GLU 131 7.255 2.372 2.372 973 1HG GLU 131 HG1 GLU 131 6.866 4.506 4.506 974 2HG GLU 131 HG2 GLU 131 5.955 4.495 4.495 975 H SER 132 HN SER 132 10.334 1.223 1.223 976 HA SER 132 HA SER 132 8.929 -1.281 -1.281 977 1HB SER 132 HB1 SER 132 9.716 -0.651 -0.651 978 2HB SER 132 HB2 SER 132 11.366 -0.885 -0.885 979 HG SER 132 HG SER 132 9.542 -2.934 -2.934 980 H ASP 133 HN ASP 133 11.349 -2.878 -2.878 981 HA ASP 133 HA ASP 133 12.433 -2.580 -2.580 982 1HB ASP 133 HB1 ASP 133 12.829 -5.049 -5.049 983 2HB ASP 133 HB2 ASP 133 11.254 -4.746 -4.746 984 H LEU 134 HN LEU 134 13.613 -0.796 -0.796 985 HA LEU 134 HA LEU 134 15.622 -1.285 -1.285 986 1HB LEU 134 HB2 LEU 134 16.826 0.544 0.544 987 2HB LEU 134 HB1 LEU 134 15.694 0.919 0.919 988 HG LEU 134 HG LEU 134 13.905 1.194 1.194 989 1HD1 LEU 134 HD22 LEU 134 15.340 -0.697 -0.697 990 2HD1 LEU 134 HD21 LEU 134 15.038 0.732 0.732 991 3HD1 LEU 134 HD23 LEU 134 13.692 -0.108 -0.108 992 1HD2 LEU 134 HD13 LEU 134 15.540 3.038 3.038 993 2HD2 LEU 134 HD12 LEU 134 14.696 2.922 2.922 994 3HD2 LEU 134 HD11 LEU 134 16.352 2.333 2.333 995 H HIS 135 HN HIS 135 16.559 -3.316 -3.316 996 HA HIS 135 HA HIS 135 19.017 -3.568 -3.568 997 1HB HIS 135 HB1 HIS 135 18.589 -2.917 -2.917 998 2HB HIS 135 HB2 HIS 135 17.076 -3.816 -3.816 999 HD2 HIS 135 HD2 HIS 135 17.353 -6.599 -6.599 1000 HE1 HIS 135 HE1 HIS 135 21.402 -6.297 -6.297 1001 HE2 HIS 135 HE2 HIS 135 19.422 -7.858 -7.858 1002 H HIS 136 HN HIS 136 15.871 -5.060 -5.060 1003 HA HIS 136 HA HIS 136 16.689 -7.757 -7.757 1004 1HB HIS 136 HB2 HIS 136 14.295 -6.633 -6.633 1005 2HB HIS 136 HB1 HIS 136 14.326 -6.971 -6.971 1006 HD2 HIS 136 HD2 HIS 136 13.283 -9.352 -9.352 1007 HE1 HIS 136 HE1 HIS 136 14.129 -11.245 -11.245 1008 HE2 HIS 136 HE2 HIS 136 12.912 -11.453 -11.453 1009 H ARG 137 HN ARG 137 16.521 -9.320 -9.320 1010 HA ARG 137 HA ARG 137 17.381 -8.161 -8.161 1011 1HB ARG 137 HB1 ARG 137 18.690 -10.621 -10.621 1012 2HB ARG 137 HB2 ARG 137 19.222 -9.625 -9.625 1013 1HG ARG 137 HG1 ARG 137 20.430 -8.342 -8.342 1014 2HG ARG 137 HG2 ARG 137 19.054 -8.059 -8.059 1015 1HD ARG 137 HD1 ARG 137 19.997 -9.345 -9.345 1016 2HD ARG 137 HD2 ARG 137 19.919 -10.714 -10.714 1017 HE ARG 137 HE ARG 137 22.141 -9.455 -9.455 1018 1HH1 ARG 137 HH11 ARG 137 21.038 -10.415 -10.415 1019 2HH1 ARG 137 HH12 ARG 137 22.634 -10.649 -10.649 1020 1HH2 ARG 137 HH21 ARG 137 24.248 -9.762 -9.762 1021 2HH2 ARG 137 HH22 ARG 137 24.460 -10.279 -10.279 1022 H ASP 138 HN ASP 138 16.319 -8.964 -8.964 1023 HA ASP 138 HA ASP 138 14.181 -10.689 -10.689 1024 1HB ASP 138 HB2 ASP 138 15.928 -10.428 -10.428 1025 2HB ASP 138 HB1 ASP 138 14.206 -10.792 -10.792 1026 H ALA 139 HN ALA 139 13.868 -12.882 -12.882 1027 HA ALA 139 HA ALA 139 15.408 -14.787 -14.787 1028 1HB ALA 139 HB2 ALA 139 13.821 -15.014 -15.014 1029 2HB ALA 139 HB1 ALA 139 14.493 -16.396 -16.396 1030 3HB ALA 139 HB3 ALA 139 13.279 -15.375 -15.375 1031 H SER 140 HN SER 140 16.038 -13.092 -13.092 1032 HA SER 140 HA SER 140 17.992 -14.803 -14.803 1033 1HB SER 140 HB1 SER 140 17.677 -13.356 -13.356 1034 2HB SER 140 HB2 SER 140 16.808 -12.266 -12.266 1035 HG SER 140 HG SER 140 18.728 -11.279 -11.279 1036 H GLY 141 HN GLY 141 18.216 -11.872 -11.872 1037 1HA GLY 141 HA2 GLY 141 19.855 -11.924 -11.924 1038 2HA GLY 141 HA1 GLY 141 20.960 -12.699 -12.699 1039 H LEU 142 HN LEU 142 18.914 -9.773 -9.773 1040 HA LEU 142 HA LEU 142 21.297 -8.152 -8.152 1041 1HB LEU 142 HB1 LEU 142 18.918 -7.755 -7.755 1042 2HB LEU 142 HB2 LEU 142 20.551 -7.153 -7.153 1043 HG LEU 142 HG LEU 142 20.147 -10.102 -10.102 1044 1HD1 LEU 142 HD11 LEU 142 19.331 -8.220 -8.220 1045 2HD1 LEU 142 HD13 LEU 142 19.674 -9.930 -9.930 1046 3HD1 LEU 142 HD12 LEU 142 18.342 -9.443 -9.443 1047 1HD2 LEU 142 HD23 LEU 142 22.381 -9.091 -9.091 1048 2HD2 LEU 142 HD22 LEU 142 21.954 -9.990 -9.990 1049 3HD2 LEU 142 HD21 LEU 142 21.880 -8.227 -8.227 1050 H THR 143 HN THR 143 21.142 -6.888 -6.888 1051 HA THR 143 HA THR 143 18.716 -6.031 -6.031 1052 HB THR 143 HB THR 143 20.583 -4.207 -4.207 1053 HG1 THR 143 HG1 THR 143 22.501 -4.916 -4.916 1054 1HG2 THR 143 HG23 THR 143 19.191 -6.188 -6.188 1055 2HG2 THR 143 HG22 THR 143 20.827 -6.836 -6.836 1056 3HG2 THR 143 HG21 THR 143 20.455 -5.257 -5.257 1057 HA PRO 144 HA PRO 144 17.310 -2.285 -2.285 1058 1HB PRO 144 HB2 PRO 144 18.695 -0.720 -0.720 1059 2HB PRO 144 HB1 PRO 144 17.044 -0.567 -0.567 1060 1HG PRO 144 HG2 PRO 144 17.549 -1.795 -1.795 1061 2HG PRO 144 HG1 PRO 144 16.279 -2.375 -2.375 1062 1HD PRO 144 HD2 PRO 144 18.941 -3.542 -3.542 1063 2HD PRO 144 HD1 PRO 144 17.451 -4.340 -4.340 1064 H LEU 145 HN LEU 145 20.613 -1.970 -1.970 1065 HA LEU 145 HA LEU 145 21.425 -0.071 -0.071 1066 1HB LEU 145 HB1 LEU 145 22.403 -0.650 -0.650 1067 2HB LEU 145 HB2 LEU 145 23.393 -1.767 -1.767 1068 HG LEU 145 HG LEU 145 24.468 -0.031 -0.031 1069 1HD1 LEU 145 HD23 LEU 145 22.200 1.693 1.693 1070 2HD1 LEU 145 HD22 LEU 145 23.705 2.375 2.375 1071 3HD1 LEU 145 HD21 LEU 145 22.711 1.350 1.350 1072 1HD2 LEU 145 HD11 LEU 145 25.163 -0.256 -0.256 1073 2HD2 LEU 145 HD13 LEU 145 25.385 1.380 1.380 1074 3HD2 LEU 145 HD12 LEU 145 24.022 1.015 1.015 1075 H GLU 146 HN GLU 146 21.578 -3.558 -3.558 1076 HA GLU 146 HA GLU 146 23.399 -4.106 -4.106 1077 1HB GLU 146 HB1 GLU 146 21.160 -5.703 -5.703 1078 2HB GLU 146 HB2 GLU 146 22.157 -6.351 -6.351 1079 1HG GLU 146 HG2 GLU 146 23.962 -6.620 -6.620 1080 2HG GLU 146 HG1 GLU 146 23.583 -5.207 -5.207 1081 H LEU 147 HN LEU 147 19.841 -4.406 -4.406 1082 HA LEU 147 HA LEU 147 19.571 -4.822 -4.822 1083 1HB LEU 147 HB2 LEU 147 17.859 -4.288 -4.288 1084 2HB LEU 147 HB1 LEU 147 17.416 -3.169 -3.169 1085 HG LEU 147 HG LEU 147 17.551 -6.173 -6.173 1086 1HD1 LEU 147 HD13 LEU 147 15.431 -4.330 -4.330 1087 2HD1 LEU 147 HD12 LEU 147 14.970 -5.458 -5.458 1088 3HD1 LEU 147 HD11 LEU 147 15.597 -6.067 -6.067 1089 1HD2 LEU 147 HD23 LEU 147 16.792 -3.974 -3.974 1090 2HD2 LEU 147 HD22 LEU 147 18.031 -5.212 -5.212 1091 3HD2 LEU 147 HD21 LEU 147 16.325 -5.658 -5.658 1092 H ALA 148 HN ALA 148 19.949 -1.801 -1.801 1093 HA ALA 148 HA ALA 148 19.356 -0.042 -0.042 1094 1HB ALA 148 HB1 ALA 148 20.739 0.178 0.178 1095 2HB ALA 148 HB3 ALA 148 21.088 1.426 1.426 1096 3HB ALA 148 HB2 ALA 148 19.427 1.144 1.144 1097 H ARG 149 HN ARG 149 22.139 -1.962 -1.962 1098 HA ARG 149 HA ARG 149 23.983 -0.548 -0.548 1099 1HB ARG 149 HB2 ARG 149 24.563 -2.133 -2.133 1100 2HB ARG 149 HB1 ARG 149 24.187 -3.446 -3.446 1101 1HG ARG 149 HG2 ARG 149 25.907 -2.541 -2.541 1102 2HG ARG 149 HG1 ARG 149 26.345 -1.373 -1.373 1103 1HD ARG 149 HD1 ARG 149 27.218 -2.993 -2.993 1104 2HD ARG 149 HD2 ARG 149 26.275 -4.285 -4.285 1105 HE ARG 149 HE ARG 149 27.896 -3.568 -3.568 1106 1HH1 ARG 149 HH21 ARG 149 28.526 -4.266 -4.266 1107 2HH1 ARG 149 HH22 ARG 149 30.122 -4.873 -4.873 1108 1HH2 ARG 149 HH11 ARG 149 29.995 -4.370 -4.370 1109 2HH2 ARG 149 HH12 ARG 149 30.957 -4.933 -4.933 1110 H GLN 150 HN GLN 150 21.990 -3.445 -3.445 1111 HA GLN 150 HA GLN 150 22.734 -3.980 -3.980 1112 1HB GLN 150 HB1 GLN 150 21.983 -5.838 -5.838 1113 2HB GLN 150 HB2 GLN 150 20.540 -4.986 -4.986 1114 1HG GLN 150 HG1 GLN 150 19.597 -6.309 -6.309 1115 2HG GLN 150 HG2 GLN 150 20.061 -4.966 -4.966 1116 1HE2 GLN 150 HE22 GLN 150 21.873 -8.593 -8.593 1117 2HE2 GLN 150 HE21 GLN 150 20.853 -8.204 -8.204 1118 H ARG 151 HN ARG 151 19.351 -3.739 -3.739 1119 HA ARG 151 HA ARG 151 18.805 -2.115 -2.115 1120 1HB ARG 151 HB2 ARG 151 16.969 -3.003 -3.003 1121 2HB ARG 151 HB1 ARG 151 16.460 -2.275 -2.275 1122 1HG ARG 151 HG2 ARG 151 16.884 -4.169 -4.169 1123 2HG ARG 151 HG1 ARG 151 18.098 -4.759 -4.759 1124 1HD ARG 151 HD1 ARG 151 16.063 -4.909 -4.909 1125 2HD ARG 151 HD2 ARG 151 15.121 -4.926 -4.926 1126 HE ARG 151 HE ARG 151 16.579 -7.084 -7.084 1127 1HH1 ARG 151 HH11 ARG 151 15.836 -5.555 -5.555 1128 2HH1 ARG 151 HH12 ARG 151 16.029 -7.006 -7.006 1129 1HH2 ARG 151 HH21 ARG 151 16.833 -9.001 -9.001 1130 2HH2 ARG 151 HH22 ARG 151 16.594 -8.965 -8.965 1131 H GLY 152 HN GLY 152 20.528 -0.681 -0.681 1132 1HA GLY 152 HA2 GLY 152 19.470 0.965 0.965 1133 2HA GLY 152 HA1 GLY 152 20.780 1.424 1.424 1134 H ALA 153 HN ALA 153 18.734 0.927 0.927 1135 HA ALA 153 HA ALA 153 17.313 2.192 2.192 1136 1HB ALA 153 HB2 ALA 153 15.818 1.965 1.965 1137 2HB ALA 153 HB1 ALA 153 16.557 3.377 3.377 1138 3HB ALA 153 HB3 ALA 153 15.646 3.553 3.553 1139 H GLN 154 HN GLN 154 18.361 4.348 4.348 1140 HA GLN 154 HA GLN 154 19.974 5.951 5.951 1141 1HB GLN 154 HB2 GLN 154 17.972 7.544 7.544 1142 2HB GLN 154 HB1 GLN 154 18.691 7.851 7.851 1143 1HG GLN 154 HG2 GLN 154 16.435 7.457 7.457 1144 2HG GLN 154 HG1 GLN 154 17.238 5.945 5.945 1145 1HE2 GLN 154 HE22 GLN 154 15.950 5.101 5.101 1146 2HE2 GLN 154 HE21 GLN 154 17.429 5.891 5.891 1147 H ASN 155 HN ASN 155 19.482 8.156 8.156 1148 HA ASN 155 HA ASN 155 21.642 7.330 7.330 1149 1HB ASN 155 HB2 ASN 155 19.808 9.724 9.724 1150 2HB ASN 155 HB1 ASN 155 21.318 9.497 9.497 1151 1HD2 ASN 155 HD22 ASN 155 23.341 10.631 10.631 1152 2HD2 ASN 155 HD21 ASN 155 23.196 10.022 10.022 1153 H LEU 156 HN LEU 156 18.686 6.117 6.117 1154 HA LEU 156 HA LEU 156 17.550 6.521 6.521 1155 1HB LEU 156 HB2 LEU 156 16.245 4.693 4.693 1156 2HB LEU 156 HB1 LEU 156 16.829 5.029 5.029 1157 HG LEU 156 HG LEU 156 18.615 3.276 3.276 1158 1HD1 LEU 156 HD22 LEU 156 17.096 3.095 3.095 1159 2HD1 LEU 156 HD21 LEU 156 17.562 1.571 1.571 1160 3HD1 LEU 156 HD23 LEU 156 18.795 2.760 2.760 1161 1HD2 LEU 156 HD13 LEU 156 16.182 3.084 3.084 1162 2HD2 LEU 156 HD12 LEU 156 17.290 1.717 1.717 1163 3HD2 LEU 156 HD11 LEU 156 16.002 1.912 1.912 1164 H MET 157 HN MET 157 20.328 4.528 4.528 1165 HA MET 157 HA MET 157 20.538 3.002 3.002 1166 1HB MET 157 HB1 MET 157 22.710 2.572 2.572 1167 2HB MET 157 HB2 MET 157 22.013 3.132 3.132 1168 1HG MET 157 HG1 MET 157 24.020 4.260 4.260 1169 2HG MET 157 HG2 MET 157 22.875 5.447 5.447 1170 1HE MET 157 HE1 MET 157 25.333 2.656 2.656 1171 2HE MET 157 HE3 MET 157 25.820 2.993 2.993 1172 3HE MET 157 HE2 MET 157 24.221 2.328 2.328 1173 H ASP 158 HN ASP 158 21.094 6.387 6.387 1174 HA ASP 158 HA ASP 158 22.547 6.825 6.825 1175 1HB ASP 158 HB2 ASP 158 21.430 9.264 9.264 1176 2HB ASP 158 HB1 ASP 158 21.591 8.429 8.429 1177 H ILE 159 HN ILE 159 19.208 7.551 7.551 1178 HA ILE 159 HA ILE 159 18.298 8.653 8.653 1179 HB ILE 159 HB ILE 159 16.196 6.976 6.976 1180 1HG1 ILE 159 HG12 ILE 159 17.499 8.606 8.606 1181 2HG1 ILE 159 HG11 ILE 159 17.684 6.865 6.865 1182 1HG2 ILE 159 HG21 ILE 159 16.752 9.928 9.928 1183 2HG2 ILE 159 HG23 ILE 159 15.211 9.182 9.182 1184 3HG2 ILE 159 HG22 ILE 159 15.817 9.084 9.084 1185 1HD1 ILE 159 HD11 ILE 159 15.051 8.257 8.257 1186 2HD1 ILE 159 HD13 ILE 159 15.984 7.529 7.529 1187 3HD1 ILE 159 HD12 ILE 159 15.347 6.518 6.518 1188 H LEU 160 HN LEU 160 18.439 5.205 5.205 1189 HA LEU 160 HA LEU 160 17.286 4.356 4.356 1190 1HB LEU 160 HB1 LEU 160 19.008 2.503 2.503 1191 2HB LEU 160 HB2 LEU 160 17.443 2.228 2.228 1192 HG LEU 160 HG LEU 160 18.055 3.508 3.508 1193 1HD1 LEU 160 HD12 LEU 160 17.059 0.964 0.964 1194 2HD1 LEU 160 HD11 LEU 160 15.898 1.755 1.755 1195 3HD1 LEU 160 HD13 LEU 160 17.548 1.468 1.468 1196 1HD2 LEU 160 HD22 LEU 160 15.785 4.010 4.010 1197 2HD2 LEU 160 HD21 LEU 160 16.460 5.007 5.007 1198 3HD2 LEU 160 HD23 LEU 160 15.379 3.668 3.668 1199 H GLN 161 HN GLN 161 20.371 5.420 5.420 1200 HA GLN 161 HA GLN 161 21.927 3.905 3.905 1201 1HB GLN 161 HB1 GLN 161 22.481 5.583 5.583 1202 2HB GLN 161 HB2 GLN 161 22.987 6.536 6.536 1203 1HG GLN 161 HG2 GLN 161 24.059 4.088 4.088 1204 2HG GLN 161 HG1 GLN 161 24.190 4.162 4.162 1205 1HE2 GLN 161 HE22 GLN 161 27.110 5.736 5.736 1206 2HE2 GLN 161 HE21 GLN 161 26.206 4.298 4.298 1207 H GLY 162 HN GLY 162 20.836 7.305 7.305 1208 1HA GLY 162 HA2 GLY 162 21.741 7.863 7.863 1209 2HA GLY 162 HA1 GLY 162 20.536 8.786 8.786 1210 H HIS 163 HN HIS 163 18.565 6.843 6.843 1211 HA HIS 163 HA HIS 163 17.296 6.967 6.967 1212 1HB HIS 163 HB2 HIS 163 16.597 5.914 5.914 1213 2HB HIS 163 HB1 HIS 163 15.691 5.284 5.284 1214 HD2 HIS 163 HD2 HIS 163 14.347 7.276 7.276 1215 HE1 HIS 163 HE1 HIS 163 14.261 9.998 9.998 1216 HE2 HIS 163 HE2 HIS 163 13.208 9.371 9.371 1217 H MET 164 HN MET 164 19.534 4.822 4.822 1218 HA MET 164 HA MET 164 18.604 2.458 2.458 1219 1HB MET 164 HB1 MET 164 20.709 3.127 3.127 1220 2HB MET 164 HB2 MET 164 21.215 1.959 1.959 1221 1HG MET 164 HG1 MET 164 18.594 1.375 1.375 1222 2HG MET 164 HG2 MET 164 19.877 1.401 1.401 1223 1HE MET 164 HE2 MET 164 21.964 0.408 0.408 1224 2HE MET 164 HE1 MET 164 22.501 -0.825 -0.825 1225 3HE MET 164 HE3 MET 164 21.596 -1.290 -1.290 1226 H MET 165 HN MET 165 20.869 1.356 1.356 1227 HA MET 165 HA MET 165 21.681 3.239 3.239 1228 1HB MET 165 HB2 MET 165 20.156 0.832 0.832 1229 2HB MET 165 HB1 MET 165 21.710 0.605 0.605 1230 1HG MET 165 HG2 MET 165 19.609 2.662 2.662 1231 2HG MET 165 HG1 MET 165 20.257 1.418 1.418 1232 1HE MET 165 HE2 MET 165 22.971 1.272 1.272 1233 2HE MET 165 HE1 MET 165 24.011 2.664 2.664 1234 3HE MET 165 HE3 MET 165 23.064 1.967 1.967 1235 H ILE 166 HN ILE 166 22.711 1.379 1.379 1236 HA ILE 166 HA ILE 166 24.652 0.231 0.231 1237 HB ILE 166 HB ILE 166 26.672 1.805 1.805 1238 1HG1 ILE 166 HG11 ILE 166 24.330 3.711 3.711 1239 2HG1 ILE 166 HG12 ILE 166 25.090 3.102 3.102 1240 1HG2 ILE 166 HG22 ILE 166 25.957 1.389 1.389 1241 2HG2 ILE 166 HG21 ILE 166 24.613 2.513 2.513 1242 3HG2 ILE 166 HG23 ILE 166 26.273 3.107 3.107 1243 1HD1 ILE 166 HD13 ILE 166 27.238 4.022 4.022 1244 2HD1 ILE 166 HD12 ILE 166 25.980 5.165 5.165 1245 3HD1 ILE 166 HD11 ILE 166 26.362 4.923 4.923 1246 HA PRO 167 HA PRO 167 25.491 -1.150 -1.150 1247 1HB PRO 167 HB2 PRO 167 24.291 -3.568 -3.568 1248 2HB PRO 167 HB1 PRO 167 23.413 -2.098 -2.098 1249 1HG PRO 167 HG2 PRO 167 23.534 -3.520 -3.520 1250 2HG PRO 167 HG1 PRO 167 22.131 -2.823 -2.823 1251 1HD PRO 167 HD2 PRO 167 23.429 -1.562 -1.562 1252 2HD PRO 167 HD1 PRO 167 22.611 -0.690 -0.690 1253 H MET 168 HN MET 168 26.263 -1.937 -1.937 1254 HA MET 168 HA MET 168 28.315 -3.845 -3.845 1255 1HB MET 168 HB1 MET 168 28.077 -5.128 -5.128 1256 2HB MET 168 HB2 MET 168 26.494 -4.989 -4.989 1257 1HG MET 168 HG2 MET 168 25.635 -3.806 -3.806 1258 2HG MET 168 HG1 MET 168 27.130 -2.913 -2.913 1259 1HE MET 168 HE3 MET 168 26.467 -6.546 -6.546 1260 2HE MET 168 HE2 MET 168 26.715 -7.291 -7.291 1261 3HE MET 168 HE1 MET 168 28.103 -6.810 -6.810 Start of MODEL 9 1 1H GLY 1 HT2 GLY 1 -30.769 -24.313 -24.313 2 2H GLY 1 HT1 GLY 1 -29.611 -24.291 -24.291 3 3H GLY 1 HT3 GLY 1 -30.803 -23.093 -23.093 4 1HA GLY 1 HA1 GLY 1 -28.887 -22.057 -22.057 5 2HA GLY 1 HA2 GLY 1 -28.477 -23.467 -23.467 6 H SER 2 HN SER 2 -30.243 -20.522 -20.522 7 HA SER 2 HA SER 2 -31.230 -20.993 -20.993 8 1HB SER 2 HB2 SER 2 -33.016 -19.323 -19.323 9 2HB SER 2 HB1 SER 2 -33.115 -20.783 -20.783 10 HG SER 2 HG SER 2 -32.968 -18.301 -18.301 11 H MET 3 HN MET 3 -28.640 -20.095 -20.095 12 HA MET 3 HA MET 3 -27.220 -18.541 -18.541 13 1HB MET 3 HB1 MET 3 -29.725 -17.912 -17.912 14 2HB MET 3 HB2 MET 3 -28.924 -16.409 -16.409 15 1HG MET 3 HG2 MET 3 -27.571 -16.581 -16.581 16 2HG MET 3 HG1 MET 3 -27.016 -18.162 -18.162 17 1HE MET 3 HE3 MET 3 -26.796 -17.399 -17.399 18 2HE MET 3 HE2 MET 3 -27.653 -18.475 -18.475 19 3HE MET 3 HE1 MET 3 -28.280 -16.858 -16.858 20 H LEU 4 HN LEU 4 -29.873 -16.429 -16.429 21 HA LEU 4 HA LEU 4 -29.968 -14.778 -14.778 22 1HB LEU 4 HB2 LEU 4 -28.068 -16.708 -16.708 23 2HB LEU 4 HB1 LEU 4 -28.455 -15.183 -15.183 24 HG LEU 4 HG LEU 4 -30.848 -16.614 -16.614 25 1HD1 LEU 4 HD12 LEU 4 -28.779 -18.254 -18.254 26 2HD1 LEU 4 HD11 LEU 4 -29.909 -18.040 -18.040 27 3HD1 LEU 4 HD13 LEU 4 -30.480 -18.667 -18.667 28 1HD2 LEU 4 HD23 LEU 4 -30.603 -14.677 -14.677 29 2HD2 LEU 4 HD22 LEU 4 -31.597 -16.026 -16.026 30 3HD2 LEU 4 HD21 LEU 4 -29.951 -15.839 -15.839 31 H LEU 5 HN LEU 5 -28.434 -13.230 -13.230 32 HA LEU 5 HA LEU 5 -26.070 -12.592 -12.592 33 1HB LEU 5 HB2 LEU 5 -28.438 -10.909 -10.909 34 2HB LEU 5 HB1 LEU 5 -26.875 -10.120 -10.120 35 HG LEU 5 HG LEU 5 -27.985 -11.579 -11.579 36 1HD1 LEU 5 HD11 LEU 5 -29.109 -9.455 -9.455 37 2HD1 LEU 5 HD13 LEU 5 -27.547 -8.637 -8.637 38 3HD1 LEU 5 HD12 LEU 5 -28.113 -9.368 -9.368 39 1HD2 LEU 5 HD23 LEU 5 -25.307 -10.930 -10.930 40 2HD2 LEU 5 HD22 LEU 5 -25.909 -11.670 -11.670 41 3HD2 LEU 5 HD21 LEU 5 -25.795 -9.915 -9.915 42 HA GLU 6 HA GLU 6 -24.635 -11.463 -11.463 43 1HB GLU 6 HB2 GLU 6 -21.953 -11.171 -11.171 44 2HB GLU 6 HB1 GLU 6 -22.753 -12.644 -12.644 45 1HG GLU 6 HG2 GLU 6 -21.579 -12.053 -12.053 46 2HG GLU 6 HG1 GLU 6 -22.291 -13.563 -13.563 47 HE1 GLU 6 HN GLU 6 -24.528 -11.160 -11.160 48 H GLU 7 HN GLU 7 -25.758 -9.231 -9.231 49 HA GLU 7 HA GLU 7 -25.767 -6.963 -6.963 50 1HB GLU 7 HB1 GLU 7 -23.664 -7.799 -7.799 51 2HB GLU 7 HB2 GLU 7 -23.647 -6.108 -6.108 52 1HG GLU 7 HG2 GLU 7 -26.309 -6.632 -6.632 53 2HG GLU 7 HG1 GLU 7 -25.414 -7.498 -7.498 54 H VAL 8 HN VAL 8 -24.515 -8.170 -8.170 55 HA VAL 8 HA VAL 8 -22.112 -6.678 -6.678 56 HB VAL 8 HB VAL 8 -23.802 -8.434 -8.434 57 1HG1 VAL 8 HG11 VAL 8 -21.237 -6.960 -6.960 58 2HG1 VAL 8 HG13 VAL 8 -21.579 -8.459 -8.459 59 3HG1 VAL 8 HG12 VAL 8 -22.659 -7.074 -7.074 60 1HG2 VAL 8 HG21 VAL 8 -21.732 -8.980 -8.980 61 2HG2 VAL 8 HG23 VAL 8 -22.896 -10.070 -10.070 62 3HG2 VAL 8 HG22 VAL 8 -21.388 -9.679 -9.679 63 H CYS 9 HN CYS 9 -25.429 -6.077 -6.077 64 HA CYS 9 HA CYS 9 -26.055 -4.741 -4.741 65 1HB CYS 9 HB2 CYS 9 -27.454 -4.836 -4.836 66 2HB CYS 9 HB1 CYS 9 -26.468 -3.548 -3.548 67 HG CYS 9 HG CYS 9 -27.771 -2.749 -2.749 68 H VAL 10 HN VAL 10 -23.803 -3.582 -3.582 69 HA VAL 10 HA VAL 10 -23.172 -1.277 -1.277 70 HB VAL 10 HB VAL 10 -22.845 -1.690 -1.690 71 1HG1 VAL 10 HG11 VAL 10 -21.605 0.442 0.442 72 2HG1 VAL 10 HG13 VAL 10 -21.752 0.553 0.553 73 3HG1 VAL 10 HG12 VAL 10 -20.774 -0.723 -0.723 74 1HG2 VAL 10 HG21 VAL 10 -24.817 -0.478 -0.478 75 2HG2 VAL 10 HG23 VAL 10 -24.666 -0.433 -0.433 76 3HG2 VAL 10 HG22 VAL 10 -23.930 0.833 0.833 77 H GLY 11 HN GLY 11 -21.993 -4.236 -4.236 78 1HA GLY 11 HA2 GLY 11 -19.276 -3.913 -3.913 79 2HA GLY 11 HA1 GLY 11 -20.037 -5.370 -5.370 80 H ASP 12 HN ASP 12 -21.201 -3.643 -3.643 81 HA ASP 12 HA ASP 12 -18.750 -3.517 -3.517 82 1HB ASP 12 HB2 ASP 12 -20.369 -3.965 -3.965 83 2HB ASP 12 HB1 ASP 12 -20.005 -5.313 -5.313 84 H ARG 13 HN ARG 13 -19.987 -1.379 -1.379 85 HA ARG 13 HA ARG 13 -20.836 0.440 0.440 86 1HB ARG 13 HB1 ARG 13 -22.530 0.335 0.335 87 2HB ARG 13 HB2 ARG 13 -21.362 0.465 0.465 88 1HG ARG 13 HG1 ARG 13 -21.404 2.687 2.687 89 2HG ARG 13 HG2 ARG 13 -21.260 2.736 2.736 90 1HD ARG 13 HD2 ARG 13 -23.781 2.336 2.336 91 2HD ARG 13 HD1 ARG 13 -23.341 3.754 3.754 92 HE ARG 13 HE ARG 13 -23.814 2.579 2.579 93 1HH1 ARG 13 HH11 ARG 13 -24.295 0.583 0.583 94 2HH1 ARG 13 HH12 ARG 13 -25.227 -0.604 -0.604 95 1HH2 ARG 13 HH21 ARG 13 -25.039 1.015 1.015 96 2HH2 ARG 13 HH22 ARG 13 -25.648 -0.361 -0.361 97 H LEU 14 HN LEU 14 -19.381 1.003 1.003 98 HA LEU 14 HA LEU 14 -17.775 3.139 3.139 99 1HB LEU 14 HB2 LEU 14 -18.278 3.440 3.440 100 2HB LEU 14 HB1 LEU 14 -18.122 1.738 1.738 101 HG LEU 14 HG LEU 14 -16.388 3.303 3.303 102 1HD1 LEU 14 HD11 LEU 14 -16.227 0.685 0.685 103 2HD1 LEU 14 HD13 LEU 14 -14.753 1.422 1.422 104 3HD1 LEU 14 HD12 LEU 14 -15.108 1.497 1.497 105 1HD2 LEU 14 HD23 LEU 14 -16.062 3.955 3.955 106 2HD2 LEU 14 HD22 LEU 14 -15.285 4.671 4.671 107 3HD2 LEU 14 HD21 LEU 14 -14.558 3.273 3.273 108 H SER 15 HN SER 15 -17.210 -0.263 -0.263 109 HA SER 15 HA SER 15 -14.419 -0.291 -0.291 110 1HB SER 15 HB1 SER 15 -16.500 -2.210 -2.210 111 2HB SER 15 HB2 SER 15 -15.458 -2.649 -2.649 112 HG SER 15 HG SER 15 -13.862 -3.068 -3.068 113 H GLY 16 HN GLY 16 -16.810 -0.434 -0.434 114 1HA GLY 16 HA1 GLY 16 -14.892 -0.843 -0.843 115 2HA GLY 16 HA2 GLY 16 -16.573 -0.375 -0.375 116 H ALA 17 HN ALA 17 -16.538 2.000 2.000 117 HA ALA 17 HA ALA 17 -15.562 3.821 3.821 118 1HB ALA 17 HB2 ALA 17 -17.235 3.921 3.921 119 2HB ALA 17 HB1 ALA 17 -16.035 5.210 5.210 120 3HB ALA 17 HB3 ALA 17 -17.080 5.094 5.094 121 H ALA 18 HN ALA 18 -14.476 3.002 3.002 122 HA ALA 18 HA ALA 18 -12.395 4.808 4.808 123 1HB ALA 18 HB2 ALA 18 -13.099 2.224 2.224 124 2HB ALA 18 HB1 ALA 18 -11.383 2.630 2.630 125 3HB ALA 18 HB3 ALA 18 -12.579 3.728 3.728 126 H ALA 19 HN ALA 19 -12.416 1.647 1.647 127 HA ALA 19 HA ALA 19 -9.634 1.674 1.674 128 1HB ALA 19 HB3 ALA 19 -11.277 -0.329 -0.329 129 2HB ALA 19 HB2 ALA 19 -11.625 0.032 0.032 130 3HB ALA 19 HB1 ALA 19 -9.981 -0.372 -0.372 131 H ARG 20 HN ARG 20 -12.402 3.139 3.139 132 HA ARG 20 HA ARG 20 -11.477 3.296 3.296 133 1HB ARG 20 HB2 ARG 20 -13.592 4.810 4.810 134 2HB ARG 20 HB1 ARG 20 -13.244 5.113 5.113 135 1HG ARG 20 HG1 ARG 20 -13.571 2.383 2.383 136 2HG ARG 20 HG2 ARG 20 -14.773 2.978 2.978 137 1HD ARG 20 HD2 ARG 20 -14.838 4.657 4.657 138 2HD ARG 20 HD1 ARG 20 -14.870 2.985 2.985 139 HE ARG 20 HE ARG 20 -16.706 3.512 3.512 140 1HH1 ARG 20 HH21 ARG 20 -16.233 3.620 3.620 141 2HH1 ARG 20 HH22 ARG 20 -17.924 3.529 3.529 142 1HH2 ARG 20 HH11 ARG 20 -18.934 3.390 3.390 143 2HH2 ARG 20 HH12 ARG 20 -19.459 3.397 3.397 144 H GLY 21 HN GLY 21 -10.991 5.163 5.163 145 1HA GLY 21 HA1 GLY 21 -9.387 6.774 6.774 146 2HA GLY 21 HA2 GLY 21 -8.876 6.651 6.651 147 H ASP 22 HN ASP 22 -11.680 7.799 7.799 148 HA ASP 22 HA ASP 22 -11.624 10.260 10.260 149 1HB ASP 22 HB2 ASP 22 -14.265 9.153 9.153 150 2HB ASP 22 HB1 ASP 22 -13.480 8.455 8.455 151 H VAL 23 HN VAL 23 -10.696 11.427 11.427 152 HA VAL 23 HA VAL 23 -11.317 11.354 11.354 153 HB VAL 23 HB VAL 23 -9.434 12.644 12.644 154 1HG1 VAL 23 HG13 VAL 23 -11.651 14.079 14.079 155 2HG1 VAL 23 HG12 VAL 23 -10.531 15.162 15.162 156 3HG1 VAL 23 HG11 VAL 23 -9.942 14.078 14.078 157 1HG2 VAL 23 HG23 VAL 23 -10.575 12.994 12.994 158 2HG2 VAL 23 HG22 VAL 23 -9.259 14.032 14.032 159 3HG2 VAL 23 HG21 VAL 23 -10.929 14.585 14.585 160 H GLN 24 HN GLN 24 -13.187 12.554 12.554 161 HA GLN 24 HA GLN 24 -14.812 14.366 14.366 162 1HB GLN 24 HB2 GLN 24 -15.153 13.049 13.049 163 2HB GLN 24 HB1 GLN 24 -16.344 14.153 14.153 164 1HG GLN 24 HG1 GLN 24 -13.588 15.163 15.163 165 2HG GLN 24 HG2 GLN 24 -14.304 14.888 14.888 166 1HE2 GLN 24 HE22 GLN 24 -16.113 17.595 17.595 167 2HE2 GLN 24 HE21 GLN 24 -15.366 16.177 16.177 168 H GLU 25 HN GLU 25 -15.456 11.140 11.140 169 HA GLU 25 HA GLU 25 -17.929 10.852 10.852 170 1HB GLU 25 HB1 GLU 25 -18.151 8.818 8.818 171 2HB GLU 25 HB2 GLU 25 -17.141 9.734 9.734 172 1HG GLU 25 HG1 GLU 25 -16.592 7.239 7.239 173 2HG GLU 25 HG2 GLU 25 -15.342 8.414 8.414 174 H VAL 26 HN VAL 26 -14.616 9.957 9.957 175 HA VAL 26 HA VAL 26 -14.955 7.964 7.964 176 HB VAL 26 HB VAL 26 -12.772 9.004 9.004 177 1HG1 VAL 26 HG12 VAL 26 -13.258 11.258 11.258 178 2HG1 VAL 26 HG11 VAL 26 -12.942 10.564 10.564 179 3HG1 VAL 26 HG13 VAL 26 -11.663 10.613 10.613 180 1HG2 VAL 26 HG21 VAL 26 -13.378 7.453 7.453 181 2HG2 VAL 26 HG23 VAL 26 -11.977 7.356 7.356 182 3HG2 VAL 26 HG22 VAL 26 -11.957 8.447 8.447 183 H ARG 27 HN ARG 27 -15.038 11.482 11.482 184 HA ARG 27 HA ARG 27 -15.512 11.265 11.265 185 1HB ARG 27 HB2 ARG 27 -16.204 13.686 13.686 186 2HB ARG 27 HB1 ARG 27 -15.640 13.604 13.604 187 1HG ARG 27 HG1 ARG 27 -13.521 12.531 12.531 188 2HG ARG 27 HG2 ARG 27 -14.120 13.602 13.602 189 1HD ARG 27 HD2 ARG 27 -12.784 14.236 14.236 190 2HD ARG 27 HD1 ARG 27 -12.935 15.190 15.190 191 HE ARG 27 HE ARG 27 -14.533 15.406 15.406 192 1HH1 ARG 27 HH21 ARG 27 -14.545 15.809 15.809 193 2HH1 ARG 27 HH22 ARG 27 -15.814 16.988 16.988 194 1HH2 ARG 27 HH11 ARG 27 -16.205 16.958 16.958 195 2HH2 ARG 27 HH12 ARG 27 -16.756 17.645 17.645 196 H ARG 28 HN ARG 28 -17.559 11.964 11.964 197 HA ARG 28 HA ARG 28 -19.957 12.445 12.445 198 1HB ARG 28 HB2 ARG 28 -19.734 10.903 10.903 199 2HB ARG 28 HB1 ARG 28 -21.048 11.948 11.948 200 1HG ARG 28 HG1 ARG 28 -18.555 13.390 13.390 201 2HG ARG 28 HG2 ARG 28 -18.888 12.628 12.628 202 1HD ARG 28 HD2 ARG 28 -20.857 14.335 14.335 203 2HD ARG 28 HD1 ARG 28 -19.808 14.933 14.933 204 HE ARG 28 HE ARG 28 -21.181 12.760 12.760 205 1HH1 ARG 28 HH11 ARG 28 -21.927 15.914 15.914 206 2HH1 ARG 28 HH12 ARG 28 -23.351 16.110 16.110 207 1HH2 ARG 28 HH21 ARG 28 -23.054 13.007 13.007 208 2HH2 ARG 28 HH22 ARG 28 -23.992 14.457 14.457 209 H LEU 29 HN LEU 29 -18.344 9.412 9.412 210 HA LEU 29 HA LEU 29 -20.576 7.757 7.757 211 1HB LEU 29 HB2 LEU 29 -17.624 7.142 7.142 212 2HB LEU 29 HB1 LEU 29 -18.882 5.941 5.941 213 HG LEU 29 HG LEU 29 -19.013 7.730 7.730 214 1HD1 LEU 29 HD11 LEU 29 -16.658 6.905 6.905 215 2HD1 LEU 29 HD13 LEU 29 -17.291 5.263 5.263 216 3HD1 LEU 29 HD12 LEU 29 -17.513 6.373 6.373 217 1HD2 LEU 29 HD22 LEU 29 -19.778 4.882 4.882 218 2HD2 LEU 29 HD21 LEU 29 -20.854 6.253 6.253 219 3HD2 LEU 29 HD23 LEU 29 -19.888 5.611 5.611 220 H LEU 30 HN LEU 30 -17.449 7.916 7.916 221 HA LEU 30 HA LEU 30 -18.606 7.017 7.017 222 1HB LEU 30 HB1 LEU 30 -15.875 8.073 8.073 223 2HB LEU 30 HB2 LEU 30 -16.306 7.560 7.560 224 HG LEU 30 HG LEU 30 -16.817 5.615 5.615 225 1HD1 LEU 30 HD11 LEU 30 -14.653 6.518 6.518 226 2HD1 LEU 30 HD13 LEU 30 -14.033 6.255 6.255 227 3HD1 LEU 30 HD12 LEU 30 -14.490 4.878 4.878 228 1HD2 LEU 30 HD22 LEU 30 -16.282 5.659 5.659 229 2HD2 LEU 30 HD21 LEU 30 -17.231 4.527 4.527 230 3HD2 LEU 30 HD23 LEU 30 -15.478 4.356 4.356 231 H HIS 31 HN HIS 31 -17.339 10.149 10.149 232 HA HIS 31 HA HIS 31 -17.821 11.481 11.481 233 1HB HIS 31 HB1 HIS 31 -16.604 12.100 12.100 234 2HB HIS 31 HB2 HIS 31 -17.851 13.314 13.314 235 HD2 HIS 31 HD2 HIS 31 -14.311 13.187 13.187 236 HE1 HIS 31 HE1 HIS 31 -15.773 14.967 14.967 237 HE2 HIS 31 HE2 HIS 31 -13.755 14.689 14.689 238 H ARG 32 HN ARG 32 -19.929 10.460 10.460 239 HA ARG 32 HA ARG 32 -22.043 12.166 12.166 240 1HB ARG 32 HB1 ARG 32 -21.032 12.473 12.473 241 2HB ARG 32 HB2 ARG 32 -22.500 11.532 11.532 242 1HG ARG 32 HG1 ARG 32 -23.317 13.478 13.478 243 2HG ARG 32 HG2 ARG 32 -22.167 14.334 14.334 244 1HD ARG 32 HD1 ARG 32 -23.378 13.425 13.425 245 2HD ARG 32 HD2 ARG 32 -24.587 12.768 12.768 246 HE ARG 32 HE ARG 32 -24.202 15.553 15.553 247 1HH1 ARG 32 HH21 ARG 32 -25.728 13.243 13.243 248 2HH1 ARG 32 HH22 ARG 32 -26.980 14.331 14.331 249 1HH2 ARG 32 HH11 ARG 32 -25.845 16.995 16.995 250 2HH2 ARG 32 HH12 ARG 32 -27.046 16.465 16.465 251 H GLU 33 HN GLU 33 -21.998 9.704 9.704 252 HA GLU 33 HA GLU 33 -24.349 8.461 8.461 253 1HB GLU 33 HB2 GLU 33 -22.553 7.972 7.972 254 2HB GLU 33 HB1 GLU 33 -21.951 6.787 6.787 255 1HG GLU 33 HG2 GLU 33 -24.562 6.141 6.141 256 2HG GLU 33 HG1 GLU 33 -24.380 6.757 6.757 257 H LEU 34 HN LEU 34 -21.444 8.292 8.292 258 HA LEU 34 HA LEU 34 -21.065 7.446 7.446 259 1HB LEU 34 HB1 LEU 34 -23.934 7.492 7.492 260 2HB LEU 34 HB2 LEU 34 -23.428 6.051 6.051 261 HG LEU 34 HG LEU 34 -22.240 7.391 7.391 262 1HD1 LEU 34 HD22 LEU 34 -22.957 9.647 9.647 263 2HD1 LEU 34 HD21 LEU 34 -22.626 9.926 9.926 264 3HD1 LEU 34 HD23 LEU 34 -21.385 9.219 9.219 265 1HD2 LEU 34 HD13 LEU 34 -25.085 8.151 8.151 266 2HD2 LEU 34 HD12 LEU 34 -24.460 7.026 7.026 267 3HD2 LEU 34 HD11 LEU 34 -24.228 8.762 8.762 268 H VAL 35 HN VAL 35 -21.236 5.887 5.887 269 HA VAL 35 HA VAL 35 -21.756 3.236 3.236 270 HB VAL 35 HB VAL 35 -20.770 4.519 4.519 271 1HG1 VAL 35 HG22 VAL 35 -18.625 4.909 4.909 272 2HG1 VAL 35 HG21 VAL 35 -18.149 3.366 3.366 273 3HG1 VAL 35 HG23 VAL 35 -18.516 4.741 4.741 274 1HG2 VAL 35 HG13 VAL 35 -19.946 1.692 1.692 275 2HG2 VAL 35 HG12 VAL 35 -21.430 2.218 2.218 276 3HG2 VAL 35 HG11 VAL 35 -19.878 2.419 2.419 277 H HIS 36 HN HIS 36 -20.397 1.377 1.377 278 HA HIS 36 HA HIS 36 -18.715 1.814 1.814 279 1HB HIS 36 HB2 HIS 36 -19.001 -0.526 -0.526 280 2HB HIS 36 HB1 HIS 36 -20.578 0.135 0.135 281 HD2 HIS 36 HD2 HIS 36 -19.787 -0.104 -0.104 282 HE1 HIS 36 HE1 HIS 36 -20.081 -4.205 -4.205 283 HE2 HIS 36 HE2 HIS 36 -19.897 -2.534 -2.534 284 HA PRO 37 HA PRO 37 -14.975 1.171 1.171 285 1HB PRO 37 HB2 PRO 37 -13.346 0.465 0.465 286 2HB PRO 37 HB1 PRO 37 -13.898 2.123 2.123 287 1HG PRO 37 HG2 PRO 37 -14.941 0.046 0.046 288 2HG PRO 37 HG1 PRO 37 -14.649 1.772 1.772 289 1HD PRO 37 HD2 PRO 37 -17.118 0.771 0.771 290 2HD PRO 37 HD1 PRO 37 -16.627 2.402 2.402 291 H ASP 38 HN ASP 38 -16.381 -1.300 -1.300 292 HA ASP 38 HA ASP 38 -14.631 -3.379 -3.379 293 1HB ASP 38 HB1 ASP 38 -17.084 -3.699 -3.699 294 2HB ASP 38 HB2 ASP 38 -15.484 -3.334 -3.334 295 H ALA 39 HN ALA 39 -16.136 -2.024 -2.024 296 HA ALA 39 HA ALA 39 -18.403 -3.642 -3.642 297 1HB ALA 39 HB3 ALA 39 -16.910 -1.523 -1.523 298 2HB ALA 39 HB2 ALA 39 -18.416 -2.282 -2.282 299 3HB ALA 39 HB1 ALA 39 -18.381 -1.297 -1.297 300 H LEU 40 HN LEU 40 -18.395 -5.461 -5.461 301 HA LEU 40 HA LEU 40 -15.954 -6.126 -6.126 302 1HB LEU 40 HB1 LEU 40 -17.684 -7.874 -7.874 303 2HB LEU 40 HB2 LEU 40 -16.628 -8.548 -8.548 304 HG LEU 40 HG LEU 40 -14.782 -7.149 -7.149 305 1HD1 LEU 40 HD22 LEU 40 -16.920 -7.443 -7.443 306 2HD1 LEU 40 HD21 LEU 40 -15.227 -7.095 -7.095 307 3HD1 LEU 40 HD23 LEU 40 -16.188 -5.948 -5.948 308 1HD2 LEU 40 HD13 LEU 40 -15.560 -9.792 -9.792 309 2HD2 LEU 40 HD12 LEU 40 -14.052 -9.151 -9.151 310 3HD2 LEU 40 HD11 LEU 40 -15.437 -9.399 -9.399 311 H ASN 41 HN ASN 41 -16.181 -6.752 -6.752 312 HA ASN 41 HA ASN 41 -18.605 -6.354 -6.354 313 1HB ASN 41 HB2 ASN 41 -15.886 -7.249 -7.249 314 2HB ASN 41 HB1 ASN 41 -17.140 -7.902 -7.902 315 1HD2 ASN 41 HD22 ASN 41 -15.796 -4.545 -4.545 316 2HD2 ASN 41 HD21 ASN 41 -15.002 -5.952 -5.952 317 H ARG 42 HN ARG 42 -18.934 -8.425 -8.425 318 HA ARG 42 HA ARG 42 -20.474 -10.255 -10.255 319 1HB ARG 42 HB2 ARG 42 -21.181 -11.172 -11.172 320 2HB ARG 42 HB1 ARG 42 -20.941 -9.459 -9.459 321 1HG ARG 42 HG2 ARG 42 -19.981 -10.481 -10.481 322 2HG ARG 42 HG1 ARG 42 -18.594 -10.160 -10.160 323 1HD ARG 42 HD1 ARG 42 -18.172 -12.340 -12.340 324 2HD ARG 42 HD2 ARG 42 -19.880 -12.743 -12.743 325 HE ARG 42 HE ARG 42 -19.386 -12.168 -12.168 326 1HH1 ARG 42 HH21 ARG 42 -18.539 -14.554 -14.554 327 2HH1 ARG 42 HH22 ARG 42 -18.345 -15.830 -15.830 328 1HH2 ARG 42 HH11 ARG 42 -19.134 -13.842 -13.842 329 2HH2 ARG 42 HH12 ARG 42 -18.683 -15.426 -15.426 330 H PHE 43 HN PHE 43 -17.211 -10.127 -10.127 331 HA PHE 43 HA PHE 43 -16.851 -13.032 -13.032 332 1HB PHE 43 HB2 PHE 43 -15.479 -11.865 -11.865 333 2HB PHE 43 HB1 PHE 43 -14.907 -10.747 -10.747 334 HD1 PHE 43 HD2 PHE 43 -15.127 -14.467 -14.467 335 HD2 PHE 43 HD1 PHE 43 -12.703 -11.059 -11.059 336 HE1 PHE 43 HE2 PHE 43 -13.207 -15.946 -15.946 337 HE2 PHE 43 HE1 PHE 43 -10.778 -12.530 -12.530 338 HZ PHE 43 HZ PHE 43 -11.026 -14.975 -14.975 339 H GLY 44 HN GLY 44 -15.176 -10.369 -10.369 340 1HA GLY 44 HA2 GLY 44 -15.712 -10.631 -10.631 341 2HA GLY 44 HA1 GLY 44 -14.836 -12.133 -12.133 342 H LYS 45 HN LYS 45 -14.502 -8.641 -8.641 343 HA LYS 45 HA LYS 45 -11.790 -8.769 -8.769 344 1HB LYS 45 HB2 LYS 45 -12.483 -7.628 -7.628 345 2HB LYS 45 HB1 LYS 45 -10.950 -7.368 -7.368 346 1HG LYS 45 HG1 LYS 45 -10.590 -9.821 -9.821 347 2HG LYS 45 HG2 LYS 45 -12.063 -9.994 -9.994 348 1HD LYS 45 HD2 LYS 45 -10.725 -9.806 -9.806 349 2HD LYS 45 HD1 LYS 45 -10.670 -8.085 -8.085 350 1HE LYS 45 HE1 LYS 45 -8.599 -8.257 -8.257 351 2HE LYS 45 HE2 LYS 45 -8.762 -9.993 -9.993 352 1HZ LYS 45 HZ2 LYS 45 -8.657 -10.187 -10.187 353 2HZ LYS 45 HZ1 LYS 45 -8.146 -8.575 -8.575 354 3HZ LYS 45 HZ3 LYS 45 -7.220 -9.745 -9.745 355 H THR 46 HN THR 46 -11.057 -6.838 -6.838 356 HA THR 46 HA THR 46 -13.162 -4.988 -4.988 357 HB THR 46 HB THR 46 -11.244 -3.943 -3.943 358 HG1 THR 46 HG1 THR 46 -9.564 -4.952 -4.952 359 1HG2 THR 46 HG21 THR 46 -12.603 -6.492 -6.492 360 2HG2 THR 46 HG23 THR 46 -11.123 -6.274 -6.274 361 3HG2 THR 46 HG22 THR 46 -12.427 -5.093 -5.093 362 H ALA 47 HN ALA 47 -13.033 -2.708 -2.708 363 HA ALA 47 HA ALA 47 -12.420 -1.816 -1.816 364 1HB ALA 47 HB2 ALA 47 -13.916 -0.661 -0.661 365 2HB ALA 47 HB1 ALA 47 -12.490 -0.105 -0.105 366 3HB ALA 47 HB3 ALA 47 -12.764 0.420 0.420 367 H LEU 48 HN LEU 48 -10.541 -1.223 -1.223 368 HA LEU 48 HA LEU 48 -8.414 0.137 0.137 369 1HB LEU 48 HB2 LEU 48 -9.015 -0.616 -0.616 370 2HB LEU 48 HB1 LEU 48 -7.793 -1.823 -1.823 371 HG LEU 48 HG LEU 48 -6.127 -0.140 -0.140 372 1HD1 LEU 48 HD22 LEU 48 -8.433 1.559 1.559 373 2HD1 LEU 48 HD21 LEU 48 -7.262 2.291 2.291 374 3HD1 LEU 48 HD23 LEU 48 -6.760 1.780 1.780 375 1HD2 LEU 48 HD13 LEU 48 -7.176 -0.691 -0.691 376 2HD2 LEU 48 HD12 LEU 48 -5.789 0.371 0.371 377 3HD2 LEU 48 HD11 LEU 48 -7.400 1.059 1.059 378 H GLN 49 HN GLN 49 -9.140 -3.272 -3.272 379 HA GLN 49 HA GLN 49 -6.560 -4.139 -4.139 380 1HB GLN 49 HB2 GLN 49 -8.026 -5.696 -5.696 381 2HB GLN 49 HB1 GLN 49 -9.266 -5.481 -5.481 382 1HG GLN 49 HG1 GLN 49 -8.313 -6.941 -6.941 383 2HG GLN 49 HG2 GLN 49 -6.685 -6.357 -6.357 384 1HE2 GLN 49 HE22 GLN 49 -5.897 -9.041 -9.041 385 2HE2 GLN 49 HE21 GLN 49 -5.403 -7.720 -7.720 386 H VAL 50 HN VAL 50 -9.526 -3.151 -3.151 387 HA VAL 50 HA VAL 50 -8.474 -3.830 -3.830 388 HB VAL 50 HB VAL 50 -10.684 -2.856 -2.856 389 1HG1 VAL 50 HG12 VAL 50 -10.166 -5.295 -5.295 390 2HG1 VAL 50 HG11 VAL 50 -10.967 -5.146 -5.146 391 3HG1 VAL 50 HG13 VAL 50 -11.874 -4.859 -4.859 392 1HG2 VAL 50 HG22 VAL 50 -11.117 -1.490 -1.490 393 2HG2 VAL 50 HG21 VAL 50 -12.450 -2.589 -2.589 394 3HG2 VAL 50 HG23 VAL 50 -11.326 -2.967 -2.967 395 H MET 51 HN MET 51 -8.878 -1.093 -1.093 396 HA MET 51 HA MET 51 -9.024 1.104 1.104 397 1HB MET 51 HB1 MET 51 -7.761 0.457 0.457 398 2HB MET 51 HB2 MET 51 -6.767 1.613 1.613 399 1HG MET 51 HG2 MET 51 -8.772 3.052 3.052 400 2HG MET 51 HG1 MET 51 -9.659 1.925 1.925 401 1HE MET 51 HE1 MET 51 -6.075 1.971 1.971 402 2HE MET 51 HE3 MET 51 -5.998 3.556 3.556 403 3HE MET 51 HE2 MET 51 -5.814 3.414 3.414 404 H MET 52 HN MET 52 -7.856 2.214 2.214 405 HA MET 52 HA MET 52 -5.543 0.823 0.823 406 1HB MET 52 HB1 MET 52 -6.024 1.829 1.829 407 2HB MET 52 HB2 MET 52 -7.630 1.667 1.667 408 1HG MET 52 HG2 MET 52 -7.639 3.975 3.975 409 2HG MET 52 HG1 MET 52 -5.963 4.166 4.166 410 1HE MET 52 HE3 MET 52 -5.629 5.643 5.643 411 2HE MET 52 HE2 MET 52 -6.878 6.094 6.094 412 3HE MET 52 HE1 MET 52 -7.121 6.403 6.403 413 H PHE 53 HN PHE 53 -5.829 2.870 2.870 414 HA PHE 53 HA PHE 53 -4.637 4.598 4.598 415 1HB PHE 53 HB1 PHE 53 -2.539 3.075 3.075 416 2HB PHE 53 HB2 PHE 53 -2.139 4.424 4.424 417 HD1 PHE 53 HD1 PHE 53 -4.403 1.459 1.459 418 HD2 PHE 53 HD2 PHE 53 -1.244 3.732 3.732 419 HE1 PHE 53 HE1 PHE 53 -4.372 -0.071 -0.071 420 HE2 PHE 53 HE2 PHE 53 -1.205 2.207 2.207 421 HZ PHE 53 HZ PHE 53 -2.771 0.303 0.303 422 H GLY 54 HN GLY 54 -5.866 5.014 5.014 423 1HA GLY 54 HA1 GLY 54 -4.195 6.630 6.630 424 2HA GLY 54 HA2 GLY 54 -5.952 6.668 6.668 425 H SER 55 HN SER 55 -6.716 7.635 7.635 426 HA SER 55 HA SER 55 -5.534 10.314 10.314 427 1HB SER 55 HB1 SER 55 -8.227 9.224 9.224 428 2HB SER 55 HB2 SER 55 -7.756 10.459 10.459 429 HG SER 55 HG SER 55 -8.187 10.664 10.664 430 HA PRO 56 HA PRO 56 -3.751 9.594 9.594 431 1HB PRO 56 HB1 PRO 56 -3.236 12.119 12.119 432 2HB PRO 56 HB2 PRO 56 -2.382 11.356 11.356 433 1HG PRO 56 HG2 PRO 56 -4.674 13.280 13.280 434 2HG PRO 56 HG1 PRO 56 -3.232 13.230 13.230 435 1HD PRO 56 HD1 PRO 56 -5.694 12.245 12.245 436 2HD PRO 56 HD2 PRO 56 -4.152 11.683 11.683 437 H ALA 57 HN ALA 57 -6.254 12.122 12.122 438 HA ALA 57 HA ALA 57 -6.820 12.187 12.187 439 1HB ALA 57 HB3 ALA 57 -7.854 13.384 13.384 440 2HB ALA 57 HB2 ALA 57 -9.185 12.844 12.844 441 3HB ALA 57 HB1 ALA 57 -7.967 13.945 13.945 442 H VAL 58 HN VAL 58 -7.935 10.081 10.081 443 HA VAL 58 HA VAL 58 -10.187 9.000 9.000 444 HB VAL 58 HB VAL 58 -10.051 7.216 7.216 445 1HG1 VAL 58 HG21 VAL 58 -9.226 9.894 9.894 446 2HG1 VAL 58 HG23 VAL 58 -9.552 8.543 8.543 447 3HG1 VAL 58 HG22 VAL 58 -10.821 9.140 9.140 448 1HG2 VAL 58 HG11 VAL 58 -7.196 7.758 7.758 449 2HG2 VAL 58 HG13 VAL 58 -8.045 6.274 6.274 450 3HG2 VAL 58 HG12 VAL 58 -7.780 7.520 7.520 451 H ALA 59 HN ALA 59 -6.773 8.349 8.349 452 HA ALA 59 HA ALA 59 -6.907 5.843 5.843 453 1HB ALA 59 HB3 ALA 59 -4.887 7.920 7.920 454 2HB ALA 59 HB2 ALA 59 -4.659 6.980 6.980 455 3HB ALA 59 HB1 ALA 59 -4.746 6.164 6.164 456 H LEU 60 HN LEU 60 -6.910 9.141 9.141 457 HA LEU 60 HA LEU 60 -6.829 8.476 8.476 458 1HB LEU 60 HB2 LEU 60 -6.536 10.746 10.746 459 2HB LEU 60 HB1 LEU 60 -8.265 10.891 10.891 460 HG LEU 60 HG LEU 60 -7.156 12.083 12.083 461 1HD1 LEU 60 HD22 LEU 60 -9.141 10.410 10.410 462 2HD1 LEU 60 HD21 LEU 60 -7.928 9.593 9.593 463 3HD1 LEU 60 HD23 LEU 60 -8.354 11.270 11.270 464 1HD2 LEU 60 HD12 LEU 60 -5.330 9.856 9.856 465 2HD2 LEU 60 HD11 LEU 60 -5.109 11.455 11.455 466 3HD2 LEU 60 HD13 LEU 60 -5.851 10.164 10.164 467 H GLU 61 HN GLU 61 -9.483 8.743 8.743 468 HA GLU 61 HA GLU 61 -11.605 8.756 8.756 469 1HB GLU 61 HB1 GLU 61 -11.281 8.541 8.541 470 2HB GLU 61 HB2 GLU 61 -12.490 7.392 7.392 471 1HG GLU 61 HG1 GLU 61 -12.487 10.362 10.362 472 2HG GLU 61 HG2 GLU 61 -13.534 9.475 9.475 473 H LEU 62 HN LEU 62 -10.648 6.011 6.011 474 HA LEU 62 HA LEU 62 -12.040 4.086 4.086 475 1HB LEU 62 HB1 LEU 62 -9.704 3.811 3.811 476 2HB LEU 62 HB2 LEU 62 -10.580 2.446 2.446 477 HG LEU 62 HG LEU 62 -12.664 3.421 3.421 478 1HD1 LEU 62 HD21 LEU 62 -10.586 5.250 5.250 479 2HD1 LEU 62 HD23 LEU 62 -12.066 4.883 4.883 480 3HD1 LEU 62 HD22 LEU 62 -12.155 5.644 5.644 481 1HD2 LEU 62 HD12 LEU 62 -10.459 1.989 1.989 482 2HD2 LEU 62 HD11 LEU 62 -12.195 1.738 1.738 483 3HD2 LEU 62 HD13 LEU 62 -11.359 2.903 2.903 484 H LEU 63 HN LEU 63 -8.749 5.301 5.301 485 HA LEU 63 HA LEU 63 -7.718 3.331 3.331 486 1HB LEU 63 HB2 LEU 63 -6.220 4.815 4.815 487 2HB LEU 63 HB1 LEU 63 -6.980 6.222 6.222 488 HG LEU 63 HG LEU 63 -6.019 5.800 5.800 489 1HD1 LEU 63 HD23 LEU 63 -6.480 3.374 3.374 490 2HD1 LEU 63 HD22 LEU 63 -5.087 3.123 3.123 491 3HD1 LEU 63 HD21 LEU 63 -4.860 3.774 3.774 492 1HD2 LEU 63 HD11 LEU 63 -4.470 6.251 6.251 493 2HD2 LEU 63 HD13 LEU 63 -3.928 6.379 6.379 494 3HD2 LEU 63 HD12 LEU 63 -3.647 4.892 4.892 495 H LYS 64 HN LYS 64 -8.708 6.650 6.650 496 HA LYS 64 HA LYS 64 -8.719 6.187 6.187 497 1HB LYS 64 HB2 LYS 64 -8.619 8.428 8.428 498 2HB LYS 64 HB1 LYS 64 -10.323 8.259 8.259 499 1HG LYS 64 HG2 LYS 64 -10.648 7.920 7.920 500 2HG LYS 64 HG1 LYS 64 -9.044 8.644 8.644 501 1HD LYS 64 HD1 LYS 64 -11.150 9.981 9.981 502 2HD LYS 64 HD2 LYS 64 -11.163 10.157 10.157 503 1HE LYS 64 HE1 LYS 64 -8.506 10.557 10.557 504 2HE LYS 64 HE2 LYS 64 -9.624 11.585 11.585 505 1HZ LYS 64 HZ3 LYS 64 -10.318 11.728 11.728 506 2HZ LYS 64 HZ2 LYS 64 -8.642 11.933 11.933 507 3HZ LYS 64 HZ1 LYS 64 -9.666 12.949 12.949 508 H GLN 65 HN GLN 65 -10.932 5.287 5.287 509 HA GLN 65 HA GLN 65 -13.365 5.328 5.328 510 1HB GLN 65 HB1 GLN 65 -12.542 4.556 4.556 511 2HB GLN 65 HB2 GLN 65 -13.016 3.028 3.028 512 1HG GLN 65 HG1 GLN 65 -14.663 5.392 5.392 513 2HG GLN 65 HG2 GLN 65 -14.996 3.674 3.674 514 1HE2 GLN 65 HE22 GLN 65 -16.822 5.491 5.491 515 2HE2 GLN 65 HE21 GLN 65 -16.268 6.156 6.156 516 H GLY 66 HN GLY 66 -11.034 2.655 2.655 517 1HA GLY 66 HA2 GLY 66 -10.713 1.618 1.618 518 2HA GLY 66 HA1 GLY 66 -12.405 1.205 1.205 519 H ALA 67 HN ALA 67 -11.522 1.001 1.001 520 HA ALA 67 HA ALA 67 -11.433 -1.794 -1.794 521 1HB ALA 67 HB1 ALA 67 -11.173 0.420 0.420 522 2HB ALA 67 HB3 ALA 67 -10.346 -1.063 -1.063 523 3HB ALA 67 HB2 ALA 67 -12.074 -1.090 -1.090 524 H SER 68 HN SER 68 -9.835 -2.786 -2.786 525 HA SER 68 HA SER 68 -7.270 -2.073 -2.073 526 1HB SER 68 HB2 SER 68 -6.992 -4.784 -4.784 527 2HB SER 68 HB1 SER 68 -7.500 -4.066 -4.066 528 HG SER 68 HG SER 68 -9.309 -5.064 -5.064 529 HA PRO 69 HA PRO 69 -5.506 -1.787 -1.787 530 1HB PRO 69 HB1 PRO 69 -3.027 -1.034 -1.034 531 2HB PRO 69 HB2 PRO 69 -4.405 0.074 0.074 532 1HG PRO 69 HG1 PRO 69 -3.194 -1.471 -1.471 533 2HG PRO 69 HG2 PRO 69 -3.729 0.220 0.220 534 1HD PRO 69 HD1 PRO 69 -5.229 -1.769 -1.769 535 2HD PRO 69 HD2 PRO 69 -5.945 -0.346 -0.346 536 H ASN 70 HN ASN 70 -4.381 -3.771 -3.771 537 HA ASN 70 HA ASN 70 -2.416 -5.175 -5.175 538 1HB ASN 70 HB2 ASN 70 -3.559 -5.968 -5.968 539 2HB ASN 70 HB1 ASN 70 -2.050 -6.523 -6.523 540 1HD2 ASN 70 HD22 ASN 70 -0.322 -4.119 -4.119 541 2HD2 ASN 70 HD21 ASN 70 -0.506 -5.766 -5.766 542 H VAL 71 HN VAL 71 -3.663 -5.941 -5.941 543 HA VAL 71 HA VAL 71 -5.233 -8.333 -8.333 544 HB VAL 71 HB VAL 71 -6.809 -7.802 -7.802 545 1HG1 VAL 71 HG21 VAL 71 -7.191 -7.255 -7.255 546 2HG1 VAL 71 HG23 VAL 71 -6.839 -5.583 -5.583 547 3HG1 VAL 71 HG22 VAL 71 -8.205 -6.418 -6.418 548 1HG2 VAL 71 HG13 VAL 71 -5.107 -6.122 -6.122 549 2HG2 VAL 71 HG12 VAL 71 -6.834 -5.782 -5.782 550 3HG2 VAL 71 HG11 VAL 71 -5.860 -4.968 -4.968 551 H GLN 72 HN GLN 72 -4.768 -10.072 -10.072 552 HA GLN 72 HA GLN 72 -3.372 -9.703 -9.703 553 1HB GLN 72 HB1 GLN 72 -2.407 -11.664 -11.664 554 2HB GLN 72 HB2 GLN 72 -1.643 -11.271 -11.271 555 1HG GLN 72 HG2 GLN 72 -0.343 -9.991 -9.991 556 2HG GLN 72 HG1 GLN 72 -1.662 -8.839 -8.839 557 1HE2 GLN 72 HE22 GLN 72 -1.057 -8.796 -8.796 558 2HE2 GLN 72 HE21 GLN 72 -0.364 -8.224 -8.224 559 H ASP 73 HN ASP 73 -3.388 -11.616 -11.616 560 HA ASP 73 HA ASP 73 -5.522 -13.519 -13.519 561 1HB ASP 73 HB1 ASP 73 -5.041 -12.563 -12.563 562 2HB ASP 73 HB2 ASP 73 -6.134 -11.716 -11.716 563 H ALA 74 HN ALA 74 -4.267 -15.246 -15.246 564 HA ALA 74 HA ALA 74 -2.903 -17.047 -17.047 565 1HB ALA 74 HB1 ALA 74 -3.850 -16.499 -16.499 566 2HB ALA 74 HB3 ALA 74 -2.616 -17.731 -17.731 567 3HB ALA 74 HB2 ALA 74 -4.187 -17.871 -17.871 568 H SER 75 HN SER 75 -1.932 -15.441 -15.441 569 HA SER 75 HA SER 75 0.718 -15.867 -15.867 570 1HB SER 75 HB1 SER 75 -0.370 -13.141 -13.141 571 2HB SER 75 HB2 SER 75 1.026 -13.965 -13.965 572 HG SER 75 HG SER 75 -0.786 -14.118 -14.118 573 H GLY 76 HN GLY 76 -0.783 -13.005 -13.005 574 1HA GLY 76 HA1 GLY 76 -0.082 -12.440 -12.440 575 2HA GLY 76 HA2 GLY 76 1.546 -12.911 -12.911 576 H THR 77 HN THR 77 -0.606 -11.010 -11.010 577 HA THR 77 HA THR 77 1.277 -8.763 -8.763 578 HB THR 77 HB THR 77 -0.684 -8.741 -8.741 579 HG1 THR 77 HG1 THR 77 0.259 -10.369 -10.369 580 1HG2 THR 77 HG23 THR 77 1.867 -7.637 -7.637 581 2HG2 THR 77 HG22 THR 77 1.994 -8.650 -8.650 582 3HG2 THR 77 HG21 THR 77 0.806 -7.348 -7.348 583 H SER 78 HN SER 78 0.612 -6.885 -6.885 584 HA SER 78 HA SER 78 -2.271 -6.551 -6.551 585 1HB SER 78 HB2 SER 78 -0.367 -4.878 -4.878 586 2HB SER 78 HB1 SER 78 -1.817 -5.720 -5.720 587 HG SER 78 HG SER 78 0.781 -6.769 -6.769 588 HA PRO 79 HA PRO 79 -2.725 -2.769 -2.769 589 1HB PRO 79 HB1 PRO 79 -2.971 -1.246 -1.246 590 2HB PRO 79 HB2 PRO 79 -4.066 -1.306 -1.306 591 1HG PRO 79 HG1 PRO 79 -4.655 -2.597 -2.597 592 2HG PRO 79 HG2 PRO 79 -5.014 -3.315 -3.315 593 1HD PRO 79 HD2 PRO 79 -2.814 -3.952 -3.952 594 2HD PRO 79 HD1 PRO 79 -3.745 -5.037 -5.037 595 H VAL 80 HN VAL 80 -0.570 -2.596 -2.596 596 HA VAL 80 HA VAL 80 0.794 -0.243 -0.243 597 HB VAL 80 HB VAL 80 2.686 -1.436 -1.436 598 1HG1 VAL 80 HG22 VAL 80 0.108 -0.252 -0.252 599 2HG1 VAL 80 HG21 VAL 80 1.200 -0.917 -0.917 600 3HG1 VAL 80 HG23 VAL 80 1.749 0.377 0.377 601 1HG2 VAL 80 HG11 VAL 80 1.479 -3.651 -3.651 602 2HG2 VAL 80 HG13 VAL 80 2.005 -3.195 -3.195 603 3HG2 VAL 80 HG12 VAL 80 0.314 -3.011 -3.011 604 H HIS 81 HN HIS 81 1.278 -3.621 -3.621 605 HA HIS 81 HA HIS 81 3.815 -3.348 -3.348 606 1HB HIS 81 HB2 HIS 81 1.605 -5.344 -5.344 607 2HB HIS 81 HB1 HIS 81 3.244 -5.486 -5.486 608 HD2 HIS 81 HD2 HIS 81 4.309 -7.480 -7.480 609 HE1 HIS 81 HE1 HIS 81 3.076 -6.123 -6.123 610 HE2 HIS 81 HE2 HIS 81 4.543 -7.772 -7.772 611 H ASP 82 HN ASP 82 0.548 -3.283 -3.283 612 HA ASP 82 HA ASP 82 1.306 -2.937 -2.937 613 1HB ASP 82 HB1 ASP 82 -1.126 -1.528 -1.528 614 2HB ASP 82 HB2 ASP 82 -1.119 -2.937 -2.937 615 H ALA 83 HN ALA 83 0.366 -0.488 -0.488 616 HA ALA 83 HA ALA 83 0.614 1.779 1.779 617 1HB ALA 83 HB3 ALA 83 0.037 1.320 1.320 618 2HB ALA 83 HB2 ALA 83 1.642 2.031 2.031 619 3HB ALA 83 HB1 ALA 83 0.359 2.922 2.922 620 H ALA 84 HN ALA 84 3.124 -0.206 -0.206 621 HA ALA 84 HA ALA 84 5.241 1.680 1.680 622 1HB ALA 84 HB2 ALA 84 5.251 -0.254 -0.254 623 2HB ALA 84 HB1 ALA 84 5.510 -1.309 -1.309 624 3HB ALA 84 HB3 ALA 84 6.708 -0.083 -0.083 625 H ARG 85 HN ARG 85 4.699 -1.429 -1.429 626 HA ARG 85 HA ARG 85 6.475 -0.867 -0.867 627 1HB ARG 85 HB2 ARG 85 4.177 -2.826 -2.826 628 2HB ARG 85 HB1 ARG 85 5.434 -2.818 -2.818 629 1HG ARG 85 HG2 ARG 85 7.031 -2.998 -2.998 630 2HG ARG 85 HG1 ARG 85 5.583 -3.618 -3.618 631 1HD ARG 85 HD2 ARG 85 6.010 -5.607 -5.607 632 2HD ARG 85 HD1 ARG 85 5.701 -4.913 -4.913 633 HE ARG 85 HE ARG 85 8.349 -4.353 -4.353 634 1HH1 ARG 85 HH21 ARG 85 6.328 -6.984 -6.984 635 2HH1 ARG 85 HH22 ARG 85 7.633 -7.873 -7.873 636 1HH2 ARG 85 HH11 ARG 85 10.078 -5.518 -5.518 637 2HH2 ARG 85 HH12 ARG 85 9.765 -7.041 -7.041 638 H THR 86 HN THR 86 3.086 -0.165 -0.165 639 HA THR 86 HA THR 86 2.508 0.382 0.382 640 HB THR 86 HB THR 86 0.423 1.360 1.360 641 HG1 THR 86 HG1 THR 86 1.890 1.616 1.616 642 1HG2 THR 86 HG23 THR 86 1.315 -1.276 -1.276 643 2HG2 THR 86 HG22 THR 86 -0.224 -0.616 -0.616 644 3HG2 THR 86 HG21 THR 86 0.053 -0.885 -0.885 645 H GLY 87 HN GLY 87 4.531 1.964 1.964 646 1HA GLY 87 HA1 GLY 87 5.398 4.092 4.092 647 2HA GLY 87 HA2 GLY 87 4.921 4.180 4.180 648 H PHE 88 HN PHE 88 3.822 4.710 4.710 649 HA PHE 88 HA PHE 88 2.295 7.009 7.009 650 1HB PHE 88 HB2 PHE 88 1.028 4.457 4.457 651 2HB PHE 88 HB1 PHE 88 0.389 5.873 5.873 652 HD1 PHE 88 HD1 PHE 88 0.466 7.959 7.959 653 HD2 PHE 88 HD2 PHE 88 -0.493 3.829 3.829 654 HE1 PHE 88 HE1 PHE 88 -0.910 8.495 8.495 655 HE2 PHE 88 HE2 PHE 88 -1.868 4.355 4.355 656 HZ PHE 88 HZ PHE 88 -2.084 6.703 6.703 657 H LEU 89 HN LEU 89 4.395 7.412 7.412 658 HA LEU 89 HA LEU 89 4.532 6.992 6.992 659 1HB LEU 89 HB1 LEU 89 6.344 7.977 7.977 660 2HB LEU 89 HB2 LEU 89 5.404 9.439 9.439 661 HG LEU 89 HG LEU 89 7.239 9.503 9.503 662 1HD1 LEU 89 HD11 LEU 89 4.625 10.623 10.623 663 2HD1 LEU 89 HD13 LEU 89 5.079 10.325 10.325 664 3HD1 LEU 89 HD12 LEU 89 6.113 11.315 11.315 665 1HD2 LEU 89 HD23 LEU 89 6.645 7.257 7.257 666 2HD2 LEU 89 HD22 LEU 89 6.809 8.542 8.542 667 3HD2 LEU 89 HD21 LEU 89 5.206 8.003 8.003 668 H ASP 90 HN ASP 90 2.317 8.955 8.955 669 HA ASP 90 HA ASP 90 1.715 10.956 10.956 670 1HB ASP 90 HB1 ASP 90 -0.234 11.329 11.329 671 2HB ASP 90 HB2 ASP 90 -0.457 9.619 9.619 672 H THR 91 HN THR 91 -0.109 7.908 7.908 673 HA THR 91 HA THR 91 -1.485 8.257 8.257 674 HB THR 91 HB THR 91 -1.326 5.565 5.565 675 HG1 THR 91 HG1 THR 91 -2.343 7.856 7.856 676 1HG2 THR 91 HG22 THR 91 -3.536 7.284 7.284 677 2HG2 THR 91 HG21 THR 91 -3.829 5.788 5.788 678 3HG2 THR 91 HG23 THR 91 -2.932 5.751 5.751 679 H LEU 92 HN LEU 92 1.621 7.255 7.255 680 HA LEU 92 HA LEU 92 1.940 5.198 5.198 681 1HB LEU 92 HB2 LEU 92 3.631 6.700 6.700 682 2HB LEU 92 HB1 LEU 92 4.445 6.214 6.214 683 HG LEU 92 HG LEU 92 3.922 3.879 3.879 684 1HD1 LEU 92 HD22 LEU 92 2.232 5.073 5.073 685 2HD1 LEU 92 HD21 LEU 92 2.971 3.499 3.499 686 3HD1 LEU 92 HD23 LEU 92 1.898 3.727 3.727 687 1HD2 LEU 92 HD13 LEU 92 5.457 5.550 5.550 688 2HD2 LEU 92 HD12 LEU 92 5.884 4.021 4.021 689 3HD2 LEU 92 HD11 LEU 92 4.945 4.025 4.025 690 H LYS 93 HN LYS 93 3.307 8.499 8.499 691 HA LYS 93 HA LYS 93 4.103 8.513 8.513 692 1HB LYS 93 HB1 LYS 93 4.825 10.612 10.612 693 2HB LYS 93 HB2 LYS 93 4.402 10.245 10.245 694 1HG LYS 93 HG1 LYS 93 2.421 11.501 11.501 695 2HG LYS 93 HG2 LYS 93 3.613 12.462 12.462 696 1HD LYS 93 HD2 LYS 93 1.790 10.518 10.518 697 2HD LYS 93 HD1 LYS 93 1.329 12.196 12.196 698 1HE LYS 93 HE2 LYS 93 3.982 11.961 11.961 699 2HE LYS 93 HE1 LYS 93 2.738 11.239 11.239 700 1HZ LYS 93 HZ2 LYS 93 2.053 13.823 13.823 701 2HZ LYS 93 HZ1 LYS 93 3.356 13.846 13.846 702 3HZ LYS 93 HZ3 LYS 93 1.859 13.228 13.228 703 H VAL 94 HN VAL 94 1.033 8.873 8.873 704 HA VAL 94 HA VAL 94 -0.261 10.134 10.134 705 HB VAL 94 HB VAL 94 -1.302 8.790 8.790 706 1HG1 VAL 94 HG21 VAL 94 -2.776 9.668 9.668 707 2HG1 VAL 94 HG23 VAL 94 -3.515 9.922 9.922 708 3HG1 VAL 94 HG22 VAL 94 -3.073 8.294 8.294 709 1HG2 VAL 94 HG12 VAL 94 -0.232 11.109 11.109 710 2HG2 VAL 94 HG11 VAL 94 -1.831 10.951 10.951 711 3HG2 VAL 94 HG13 VAL 94 -1.664 11.639 11.639 712 H LEU 95 HN LEU 95 -1.309 7.117 7.117 713 HA LEU 95 HA LEU 95 -2.137 6.062 6.062 714 1HB LEU 95 HB1 LEU 95 -3.363 4.592 4.592 715 2HB LEU 95 HB2 LEU 95 -3.062 5.738 5.738 716 HG LEU 95 HG LEU 95 -0.985 4.197 4.197 717 1HD1 LEU 95 HD23 LEU 95 -2.146 2.818 2.818 718 2HD1 LEU 95 HD22 LEU 95 -2.556 1.888 1.888 719 3HD1 LEU 95 HD21 LEU 95 -0.870 2.247 2.247 720 1HD2 LEU 95 HD12 LEU 95 -3.683 4.312 4.312 721 2HD2 LEU 95 HD11 LEU 95 -2.206 3.945 3.945 722 3HD2 LEU 95 HD13 LEU 95 -3.096 2.651 2.651 723 H VAL 96 HN VAL 96 0.436 5.163 5.163 724 HA VAL 96 HA VAL 96 1.278 2.886 2.886 725 HB VAL 96 HB VAL 96 2.800 4.556 4.556 726 1HG1 VAL 96 HG13 VAL 96 3.460 1.955 1.955 727 2HG1 VAL 96 HG12 VAL 96 4.147 2.399 2.399 728 3HG1 VAL 96 HG11 VAL 96 4.453 3.405 3.405 729 1HG2 VAL 96 HG23 VAL 96 0.590 3.085 3.085 730 2HG2 VAL 96 HG22 VAL 96 1.882 3.311 3.311 731 3HG2 VAL 96 HG21 VAL 96 1.835 1.851 1.851 732 H GLU 97 HN GLU 97 1.472 6.049 6.049 733 HA GLU 97 HA GLU 97 4.106 6.100 6.100 734 1HB GLU 97 HB2 GLU 97 3.638 8.269 8.269 735 2HB GLU 97 HB1 GLU 97 2.076 7.941 7.941 736 1HG GLU 97 HG1 GLU 97 2.770 8.527 8.527 737 2HG GLU 97 HG2 GLU 97 1.311 8.908 8.908 738 H HIS 98 HN HIS 98 0.884 5.421 5.421 739 HA HIS 98 HA HIS 98 1.672 5.104 5.104 740 1HB HIS 98 HB1 HIS 98 -0.695 4.116 4.116 741 2HB HIS 98 HB2 HIS 98 -0.493 3.727 3.727 742 HD2 HIS 98 HD2 HIS 98 -1.154 5.697 5.697 743 HE1 HIS 98 HE1 HIS 98 -2.043 8.632 8.632 744 HE2 HIS 98 HE2 HIS 98 -2.274 7.988 7.988 745 H GLY 99 HN GLY 99 1.501 2.853 2.853 746 1HA GLY 99 HA2 GLY 99 3.467 1.164 1.164 747 2HA GLY 99 HA1 GLY 99 2.353 0.649 0.649 748 H ALA 100 HN ALA 100 -0.068 0.724 0.724 749 HA ALA 100 HA ALA 100 -1.364 -0.839 -0.839 750 1HB ALA 100 HB3 ALA 100 0.126 0.760 0.760 751 2HB ALA 100 HB2 ALA 100 -0.944 -0.535 -0.535 752 3HB ALA 100 HB1 ALA 100 -1.585 0.795 0.795 753 H ASP 101 HN ASP 101 1.132 -1.964 -1.964 754 HA ASP 101 HA ASP 101 2.174 -3.990 -3.990 755 1HB ASP 101 HB1 ASP 101 0.615 -4.607 -4.607 756 2HB ASP 101 HB2 ASP 101 -0.089 -4.745 -4.745 757 H VAL 102 HN VAL 102 3.683 -2.033 -2.033 758 HA VAL 102 HA VAL 102 4.638 -2.349 -2.349 759 HB VAL 102 HB VAL 102 6.478 -0.783 -0.783 760 1HG1 VAL 102 HG11 VAL 102 3.719 -0.306 -0.306 761 2HG1 VAL 102 HG13 VAL 102 4.296 0.904 0.904 762 3HG1 VAL 102 HG12 VAL 102 5.126 0.682 0.682 763 1HG2 VAL 102 HG23 VAL 102 5.726 -1.530 -1.530 764 2HG2 VAL 102 HG22 VAL 102 6.565 -0.021 -0.021 765 3HG2 VAL 102 HG21 VAL 102 4.812 -0.032 -0.032 766 H ASN 103 HN ASN 103 4.965 -4.274 -4.274 767 HA ASN 103 HA ASN 103 7.728 -5.036 -5.036 768 1HB ASN 103 HB2 ASN 103 6.283 -5.617 -5.617 769 2HB ASN 103 HB1 ASN 103 7.984 -5.908 -5.908 770 1HD2 ASN 103 HD22 ASN 103 8.761 -2.367 -2.367 771 2HD2 ASN 103 HD21 ASN 103 8.990 -3.739 -3.739 772 H ALA 104 HN ALA 104 5.580 -5.908 -5.908 773 HA ALA 104 HA ALA 104 5.519 -8.775 -8.775 774 1HB ALA 104 HB2 ALA 104 3.314 -7.308 -7.308 775 2HB ALA 104 HB1 ALA 104 3.313 -7.636 -7.636 776 3HB ALA 104 HB3 ALA 104 3.300 -8.973 -8.973 777 H LEU 105 HN LEU 105 5.088 -10.162 -10.162 778 HA LEU 105 HA LEU 105 5.876 -9.052 -9.052 779 1HB LEU 105 HB2 LEU 105 7.587 -11.292 -11.292 780 2HB LEU 105 HB1 LEU 105 8.021 -9.627 -9.627 781 HG LEU 105 HG LEU 105 7.406 -10.390 -10.390 782 1HD1 LEU 105 HD11 LEU 105 9.105 -11.997 -11.997 783 2HD1 LEU 105 HD13 LEU 105 10.211 -10.699 -10.699 784 3HD1 LEU 105 HD12 LEU 105 9.301 -11.556 -11.556 785 1HD2 LEU 105 HD21 LEU 105 8.389 -8.132 -8.132 786 2HD2 LEU 105 HD23 LEU 105 8.206 -8.358 -8.358 787 3HD2 LEU 105 HD22 LEU 105 9.728 -8.776 -8.776 788 H ASP 106 HN ASP 106 5.762 -10.659 -10.659 789 HA ASP 106 HA ASP 106 3.573 -12.477 -12.477 790 1HB ASP 106 HB1 ASP 106 3.888 -12.868 -12.868 791 2HB ASP 106 HB2 ASP 106 3.318 -11.289 -11.289 792 H SER 107 HN SER 107 4.762 -13.942 -13.942 793 HA SER 107 HA SER 107 5.531 -16.106 -16.106 794 1HB SER 107 HB2 SER 107 5.822 -17.437 -17.437 795 2HB SER 107 HB1 SER 107 5.049 -16.087 -16.087 796 HG SER 107 HG SER 107 6.819 -15.864 -15.864 797 H THR 108 HN THR 108 7.672 -14.151 -14.151 798 HA THR 108 HA THR 108 9.615 -13.755 -13.755 799 HB THR 108 HB THR 108 11.300 -15.224 -15.224 800 HG1 THR 108 HG1 THR 108 9.239 -17.031 -17.031 801 1HG2 THR 108 HG23 THR 108 10.039 -15.686 -15.686 802 2HG2 THR 108 HG22 THR 108 10.851 -17.052 -17.052 803 3HG2 THR 108 HG21 THR 108 11.742 -15.565 -15.565 804 H GLY 109 HN GLY 109 8.199 -12.333 -12.333 805 1HA GLY 109 HA1 GLY 109 10.063 -11.730 -11.730 806 2HA GLY 109 HA2 GLY 109 8.561 -10.882 -10.882 807 H SER 110 HN SER 110 10.070 -10.940 -10.940 808 HA SER 110 HA SER 110 11.567 -9.579 -9.579 809 1HB SER 110 HB1 SER 110 12.656 -9.429 -9.429 810 2HB SER 110 HB2 SER 110 12.015 -7.789 -7.789 811 HG SER 110 HG SER 110 13.349 -8.649 -8.649 812 H LEU 111 HN LEU 111 11.534 -7.388 -7.388 813 HA LEU 111 HA LEU 111 9.051 -6.417 -6.417 814 1HB LEU 111 HB2 LEU 111 11.767 -5.471 -5.471 815 2HB LEU 111 HB1 LEU 111 10.677 -4.136 -4.136 816 HG LEU 111 HG LEU 111 9.477 -4.480 -4.480 817 1HD1 LEU 111 HD23 LEU 111 10.315 -7.265 -7.265 818 2HD1 LEU 111 HD22 LEU 111 10.270 -6.720 -6.720 819 3HD1 LEU 111 HD21 LEU 111 8.825 -6.604 -6.604 820 1HD2 LEU 111 HD13 LEU 111 12.387 -4.683 -4.683 821 2HD2 LEU 111 HD12 LEU 111 11.265 -3.594 -3.594 822 3HD2 LEU 111 HD11 LEU 111 11.526 -5.222 -5.222 823 HA PRO 112 HA PRO 112 7.242 -4.253 -4.253 824 1HB PRO 112 HB1 PRO 112 7.119 -1.831 -1.831 825 2HB PRO 112 HB2 PRO 112 5.827 -2.651 -2.651 826 1HG PRO 112 HG1 PRO 112 6.047 -2.905 -2.905 827 2HG PRO 112 HG2 PRO 112 5.575 -4.283 -4.283 828 1HD PRO 112 HD2 PRO 112 8.199 -3.689 -3.689 829 2HD PRO 112 HD1 PRO 112 7.388 -5.249 -5.249 830 H ILE 113 HN ILE 113 9.667 -2.394 -2.394 831 HA ILE 113 HA ILE 113 10.253 -0.483 -0.483 832 HB ILE 113 HB ILE 113 11.098 -0.240 -0.240 833 1HG1 ILE 113 HG12 ILE 113 13.036 -0.356 -0.356 834 2HG1 ILE 113 HG11 ILE 113 12.436 1.040 1.040 835 1HG2 ILE 113 HG23 ILE 113 12.789 -2.664 -2.664 836 2HG2 ILE 113 HG22 ILE 113 12.933 -1.654 -1.654 837 3HG2 ILE 113 HG21 ILE 113 11.455 -2.570 -2.570 838 1HD1 ILE 113 HD11 ILE 113 13.812 -0.026 -0.026 839 2HD1 ILE 113 HD13 ILE 113 14.685 -0.788 -0.788 840 3HD1 ILE 113 HD12 ILE 113 14.588 0.971 0.971 841 H HIS 114 HN HIS 114 11.561 -3.729 -3.729 842 HA HIS 114 HA HIS 114 13.639 -3.712 -3.712 843 1HB HIS 114 HB2 HIS 114 11.751 -5.961 -5.961 844 2HB HIS 114 HB1 HIS 114 13.239 -6.178 -6.178 845 HD2 HIS 114 HD2 HIS 114 15.614 -5.437 -5.437 846 HE1 HIS 114 HE1 HIS 114 13.661 -6.200 -6.200 847 HE2 HIS 114 HE2 HIS 114 15.873 -5.635 -5.635 848 H LEU 115 HN LEU 115 10.195 -3.937 -3.937 849 HA LEU 115 HA LEU 115 10.382 -4.736 -4.736 850 1HB LEU 115 HB2 LEU 115 8.041 -3.281 -3.281 851 2HB LEU 115 HB1 LEU 115 8.046 -4.469 -4.469 852 HG LEU 115 HG LEU 115 8.557 -5.025 -5.025 853 1HD1 LEU 115 HD12 LEU 115 6.155 -4.819 -4.819 854 2HD1 LEU 115 HD11 LEU 115 6.381 -6.488 -6.488 855 3HD1 LEU 115 HD13 LEU 115 6.354 -5.187 -5.187 856 1HD2 LEU 115 HD23 LEU 115 9.802 -6.433 -6.433 857 2HD2 LEU 115 HD22 LEU 115 8.841 -7.281 -7.281 858 3HD2 LEU 115 HD21 LEU 115 8.214 -7.074 -7.074 859 H ALA 116 HN ALA 116 9.587 -1.637 -1.637 860 HA ALA 116 HA ALA 116 9.389 -0.076 -0.076 861 1HB ALA 116 HB3 ALA 116 8.986 0.483 0.483 862 2HB ALA 116 HB2 ALA 116 10.648 1.070 1.070 863 3HB ALA 116 HB1 ALA 116 9.420 1.759 1.759 864 H ILE 117 HN ILE 117 12.199 -1.217 -1.217 865 HA ILE 117 HA ILE 117 14.150 0.446 0.446 866 HB ILE 117 HB ILE 117 14.325 -2.359 -2.359 867 1HG1 ILE 117 HG11 ILE 117 15.323 0.274 0.274 868 2HG1 ILE 117 HG12 ILE 117 13.802 -0.484 -0.484 869 1HG2 ILE 117 HG22 ILE 117 16.216 -0.993 -0.993 870 2HG2 ILE 117 HG21 ILE 117 16.874 -1.154 -1.154 871 3HG2 ILE 117 HG23 ILE 117 16.340 -2.586 -2.586 872 1HD1 ILE 117 HD13 ILE 117 16.466 -1.828 -1.828 873 2HD1 ILE 117 HD12 ILE 117 15.718 -0.830 -0.830 874 3HD1 ILE 117 HD11 ILE 117 14.914 -2.300 -2.300 875 H ARG 118 HN ARG 118 12.756 -2.627 -2.627 876 HA ARG 118 HA ARG 118 14.484 -3.046 -3.046 877 1HB ARG 118 HB1 ARG 118 11.664 -3.974 -3.974 878 2HB ARG 118 HB2 ARG 118 13.154 -4.840 -4.840 879 1HG ARG 118 HG2 ARG 118 13.360 -4.476 -4.476 880 2HG ARG 118 HG1 ARG 118 11.615 -4.649 -4.649 881 1HD ARG 118 HD2 ARG 118 11.947 -6.850 -6.850 882 2HD ARG 118 HD1 ARG 118 12.678 -6.629 -6.629 883 HE ARG 118 HE ARG 118 14.718 -6.151 -6.151 884 1HH1 ARG 118 HH21 ARG 118 12.484 -8.781 -8.781 885 2HH1 ARG 118 HH22 ARG 118 13.588 -9.991 -9.991 886 1HH2 ARG 118 HH11 ARG 118 16.179 -7.737 -7.737 887 2HH2 ARG 118 HH12 ARG 118 15.689 -9.398 -9.398 888 H GLU 119 HN GLU 119 11.856 -0.897 -0.897 889 HA GLU 119 HA GLU 119 11.496 -0.429 -0.429 890 1HB GLU 119 HB1 GLU 119 10.085 1.049 1.049 891 2HB GLU 119 HB2 GLU 119 9.557 0.792 0.792 892 1HG GLU 119 HG2 GLU 119 8.237 -0.739 -0.739 893 2HG GLU 119 HG1 GLU 119 9.669 -1.749 -1.749 894 H GLY 120 HN GLY 120 12.283 1.441 1.441 895 1HA GLY 120 HA1 GLY 120 13.962 3.071 3.071 896 2HA GLY 120 HA2 GLY 120 14.106 3.076 3.076 897 H HIS 121 HN HIS 121 10.955 3.318 3.318 898 HA HIS 121 HA HIS 121 10.150 5.560 5.560 899 1HB HIS 121 HB2 HIS 121 9.302 4.664 4.664 900 2HB HIS 121 HB1 HIS 121 8.436 5.847 5.847 901 HD2 HIS 121 HD2 HIS 121 8.609 2.100 2.100 902 HE1 HIS 121 HE1 HIS 121 6.413 2.754 2.754 903 HE2 HIS 121 HE2 HIS 121 6.943 1.095 1.095 904 H SER 122 HN SER 122 12.218 5.376 5.376 905 HA SER 122 HA SER 122 13.627 7.006 7.006 906 1HB SER 122 HB1 SER 122 13.883 8.948 8.948 907 2HB SER 122 HB2 SER 122 12.733 8.252 8.252 908 HG SER 122 HG SER 122 11.658 10.006 10.006 909 H SER 123 HN SER 123 10.312 8.321 8.321 910 HA SER 123 HA SER 123 10.407 9.363 9.363 911 1HB SER 123 HB2 SER 123 8.848 9.874 9.874 912 2HB SER 123 HB1 SER 123 7.742 8.935 8.935 913 HG SER 123 HG SER 123 8.825 10.581 10.581 914 H VAL 124 HN VAL 124 8.936 6.511 6.511 915 HA VAL 124 HA VAL 124 7.593 5.604 5.604 916 HB VAL 124 HB VAL 124 8.485 4.157 4.157 917 1HG1 VAL 124 HG13 VAL 124 8.389 2.618 2.618 918 2HG1 VAL 124 HG12 VAL 124 6.696 3.065 3.065 919 3HG1 VAL 124 HG11 VAL 124 7.211 2.246 2.246 920 1HG2 VAL 124 HG21 VAL 124 6.048 5.576 5.576 921 2HG2 VAL 124 HG23 VAL 124 6.738 5.388 5.388 922 3HG2 VAL 124 HG22 VAL 124 5.804 4.075 4.075 923 H VAL 125 HN VAL 125 10.542 4.305 4.305 924 HA VAL 125 HA VAL 125 11.256 2.512 2.512 925 HB VAL 125 HB VAL 125 13.363 4.084 4.084 926 1HG1 VAL 125 HG11 VAL 125 13.067 1.321 1.321 927 2HG1 VAL 125 HG13 VAL 125 14.212 1.635 1.635 928 3HG1 VAL 125 HG12 VAL 125 14.371 2.486 2.486 929 1HG2 VAL 125 HG23 VAL 125 11.193 2.522 2.522 930 2HG2 VAL 125 HG22 VAL 125 12.278 3.701 3.701 931 3HG2 VAL 125 HG21 VAL 125 12.806 2.033 2.033 932 H SER 126 HN SER 126 12.537 5.828 5.828 933 HA SER 126 HA SER 126 14.071 5.914 5.914 934 1HB SER 126 HB1 SER 126 13.869 8.358 8.358 935 2HB SER 126 HB2 SER 126 14.110 7.670 7.670 936 HG SER 126 HG SER 126 12.203 9.273 9.273 937 H PHE 127 HN PHE 127 10.633 6.440 6.440 938 HA PHE 127 HA PHE 127 10.198 7.350 7.350 939 1HB PHE 127 HB2 PHE 127 8.547 7.965 7.965 940 2HB PHE 127 HB1 PHE 127 8.354 6.305 6.305 941 HD1 PHE 127 HD2 PHE 127 7.886 8.461 8.461 942 HD2 PHE 127 HD1 PHE 127 6.666 4.975 4.975 943 HE1 PHE 127 HE2 PHE 127 6.017 8.156 8.156 944 HE2 PHE 127 HE1 PHE 127 4.793 4.665 4.665 945 HZ PHE 127 HZ PHE 127 4.490 6.241 6.241 946 H LEU 128 HN LEU 128 9.471 4.262 4.262 947 HA LEU 128 HA LEU 128 8.654 2.900 2.900 948 1HB LEU 128 HB2 LEU 128 9.145 2.280 2.280 949 2HB LEU 128 HB1 LEU 128 9.792 1.011 1.011 950 HG LEU 128 HG LEU 128 6.965 2.010 2.010 951 1HD1 LEU 128 HD21 LEU 128 8.042 0.640 0.640 952 2HD1 LEU 128 HD23 LEU 128 7.122 -0.538 -0.538 953 3HD1 LEU 128 HD22 LEU 128 6.345 0.941 0.941 954 1HD2 LEU 128 HD13 LEU 128 7.895 0.779 0.779 955 2HD2 LEU 128 HD12 LEU 128 6.621 -0.138 -0.138 956 3HD2 LEU 128 HD11 LEU 128 8.312 -0.558 -0.558 957 H ALA 129 HN ALA 129 11.749 3.813 3.813 958 HA ALA 129 HA ALA 129 13.420 1.839 1.839 959 1HB ALA 129 HB1 ALA 129 13.678 4.667 4.667 960 2HB ALA 129 HB3 ALA 129 14.823 4.125 4.125 961 3HB ALA 129 HB2 ALA 129 14.760 3.316 3.316 962 HA PRO 130 HA PRO 130 13.701 3.913 3.913 963 1HB PRO 130 HB2 PRO 130 12.247 6.158 6.158 964 2HB PRO 130 HB1 PRO 130 13.878 6.195 6.195 965 1HG PRO 130 HG2 PRO 130 11.240 6.397 6.397 966 2HG PRO 130 HG1 PRO 130 12.718 7.342 7.342 967 1HD PRO 130 HD1 PRO 130 12.013 5.282 5.282 968 2HD PRO 130 HD2 PRO 130 13.708 5.684 5.684 969 H GLU 131 HN GLU 131 10.614 3.937 3.937 970 HA GLU 131 HA GLU 131 9.145 3.361 3.361 971 1HB GLU 131 HB2 GLU 131 8.459 4.148 4.148 972 2HB GLU 131 HB1 GLU 131 7.323 3.049 3.049 973 1HG GLU 131 HG1 GLU 131 8.083 5.201 5.201 974 2HG GLU 131 HG2 GLU 131 7.410 5.802 5.802 975 H SER 132 HN SER 132 11.120 1.459 1.459 976 HA SER 132 HA SER 132 9.594 -0.922 -0.922 977 1HB SER 132 HB2 SER 132 9.882 -0.061 -0.061 978 2HB SER 132 HB1 SER 132 11.175 -1.245 -1.245 979 HG SER 132 HG SER 132 8.437 -1.673 -1.673 980 H ASP 133 HN ASP 133 10.788 -2.488 -2.488 981 HA ASP 133 HA ASP 133 13.105 -2.135 -2.135 982 1HB ASP 133 HB1 ASP 133 13.473 -4.733 -4.733 983 2HB ASP 133 HB2 ASP 133 11.757 -4.509 -4.509 984 H LEU 134 HN LEU 134 14.713 -0.954 -0.954 985 HA LEU 134 HA LEU 134 15.716 -1.475 -1.475 986 1HB LEU 134 HB2 LEU 134 16.653 0.208 0.208 987 2HB LEU 134 HB1 LEU 134 17.584 0.062 0.062 988 HG LEU 134 HG LEU 134 15.111 0.732 0.732 989 1HD1 LEU 134 HD22 LEU 134 14.781 1.169 1.169 990 2HD1 LEU 134 HD21 LEU 134 15.389 2.741 2.741 991 3HD1 LEU 134 HD23 LEU 134 13.941 2.065 2.065 992 1HD2 LEU 134 HD11 LEU 134 17.675 2.075 2.075 993 2HD2 LEU 134 HD13 LEU 134 16.698 1.963 1.963 994 3HD2 LEU 134 HD12 LEU 134 16.301 3.158 3.158 995 H HIS 135 HN HIS 135 15.828 -3.904 -3.904 996 HA HIS 135 HA HIS 135 18.654 -4.470 -4.470 997 1HB HIS 135 HB2 HIS 135 17.124 -4.395 -4.395 998 2HB HIS 135 HB1 HIS 135 17.587 -6.063 -6.063 999 HD2 HIS 135 HD2 HIS 135 18.903 -3.744 -3.744 1000 HE1 HIS 135 HE1 HIS 135 22.377 -4.873 -4.873 1001 HE2 HIS 135 HE2 HIS 135 21.491 -3.914 -3.914 1002 H HIS 136 HN HIS 136 15.342 -5.692 -5.692 1003 HA HIS 136 HA HIS 136 15.837 -8.368 -8.368 1004 1HB HIS 136 HB2 HIS 136 13.596 -6.893 -6.893 1005 2HB HIS 136 HB1 HIS 136 13.462 -7.188 -7.188 1006 HD2 HIS 136 HD2 HIS 136 11.326 -8.924 -8.924 1007 HE1 HIS 136 HE1 HIS 136 13.638 -11.868 -11.868 1008 HE2 HIS 136 HE2 HIS 136 11.347 -11.294 -11.294 1009 H ARG 137 HN ARG 137 16.055 -9.540 -9.540 1010 HA ARG 137 HA ARG 137 16.428 -7.990 -7.990 1011 1HB ARG 137 HB2 ARG 137 18.088 -10.049 -10.049 1012 2HB ARG 137 HB1 ARG 137 18.609 -8.548 -8.548 1013 1HG ARG 137 HG1 ARG 137 18.311 -9.554 -9.554 1014 2HG ARG 137 HG2 ARG 137 17.800 -11.063 -11.063 1015 1HD ARG 137 HD2 ARG 137 19.949 -11.655 -11.655 1016 2HD ARG 137 HD1 ARG 137 20.188 -10.504 -10.504 1017 HE ARG 137 HE ARG 137 21.240 -9.083 -9.083 1018 1HH1 ARG 137 HH11 ARG 137 19.648 -11.623 -11.623 1019 2HH1 ARG 137 HH12 ARG 137 20.394 -11.212 -11.212 1020 1HH2 ARG 137 HH21 ARG 137 22.226 -8.534 -8.534 1021 2HH2 ARG 137 HH22 ARG 137 21.859 -9.457 -9.457 1022 H ASP 138 HN ASP 138 16.354 -9.434 -9.434 1023 HA ASP 138 HA ASP 138 13.899 -10.908 -10.908 1024 1HB ASP 138 HB2 ASP 138 15.891 -10.220 -10.220 1025 2HB ASP 138 HB1 ASP 138 14.212 -9.716 -9.716 1026 H ALA 139 HN ALA 139 13.752 -13.078 -13.078 1027 HA ALA 139 HA ALA 139 15.039 -15.018 -15.018 1028 1HB ALA 139 HB1 ALA 139 13.571 -15.061 -15.061 1029 2HB ALA 139 HB3 ALA 139 14.437 -16.510 -16.510 1030 3HB ALA 139 HB2 ALA 139 13.170 -15.833 -15.833 1031 H SER 140 HN SER 140 16.151 -13.234 -13.234 1032 HA SER 140 HA SER 140 18.201 -15.005 -15.005 1033 1HB SER 140 HB1 SER 140 17.907 -13.569 -13.569 1034 2HB SER 140 HB2 SER 140 17.219 -12.340 -12.340 1035 HG SER 140 HG SER 140 19.614 -12.355 -12.355 1036 H GLY 141 HN GLY 141 18.332 -11.882 -11.882 1037 1HA GLY 141 HA2 GLY 141 19.730 -12.137 -12.137 1038 2HA GLY 141 HA1 GLY 141 20.987 -12.629 -12.629 1039 H LEU 142 HN LEU 142 18.566 -10.077 -10.077 1040 HA LEU 142 HA LEU 142 20.762 -8.113 -8.113 1041 1HB LEU 142 HB2 LEU 142 18.296 -7.669 -7.669 1042 2HB LEU 142 HB1 LEU 142 19.922 -7.066 -7.066 1043 HG LEU 142 HG LEU 142 19.221 -9.971 -9.971 1044 1HD1 LEU 142 HD12 LEU 142 19.144 -7.767 -7.767 1045 2HD1 LEU 142 HD11 LEU 142 19.039 -9.493 -9.493 1046 3HD1 LEU 142 HD13 LEU 142 17.770 -8.703 -8.703 1047 1HD2 LEU 142 HD22 LEU 142 21.630 -8.994 -8.994 1048 2HD2 LEU 142 HD21 LEU 142 21.275 -10.188 -10.188 1049 3HD2 LEU 142 HD23 LEU 142 21.372 -8.477 -8.477 1050 H THR 143 HN THR 143 20.570 -6.520 -6.520 1051 HA THR 143 HA THR 143 18.007 -6.143 -6.143 1052 HB THR 143 HB THR 143 19.173 -5.528 -5.528 1053 HG1 THR 143 HG1 THR 143 21.346 -4.485 -4.485 1054 1HG2 THR 143 HG21 THR 143 20.216 -7.672 -7.672 1055 2HG2 THR 143 HG23 THR 143 21.541 -6.707 -6.707 1056 3HG2 THR 143 HG22 THR 143 21.205 -6.691 -6.691 1057 HA PRO 144 HA PRO 144 17.046 -1.970 -1.970 1058 1HB PRO 144 HB1 PRO 144 18.630 -0.809 -0.809 1059 2HB PRO 144 HB2 PRO 144 16.967 -0.474 -0.474 1060 1HG PRO 144 HG2 PRO 144 17.465 -2.001 -2.001 1061 2HG PRO 144 HG1 PRO 144 16.141 -2.395 -2.395 1062 1HD PRO 144 HD2 PRO 144 18.813 -3.684 -3.684 1063 2HD PRO 144 HD1 PRO 144 17.251 -4.407 -4.407 1064 H LEU 145 HN LEU 145 20.333 -1.701 -1.701 1065 HA LEU 145 HA LEU 145 21.193 0.176 0.176 1066 1HB LEU 145 HB2 LEU 145 22.313 0.238 0.238 1067 2HB LEU 145 HB1 LEU 145 22.624 -1.488 -1.488 1068 HG LEU 145 HG LEU 145 24.113 -1.000 -1.000 1069 1HD1 LEU 145 HD21 LEU 145 23.155 1.617 1.617 1070 2HD1 LEU 145 HD23 LEU 145 24.892 1.583 1.583 1071 3HD1 LEU 145 HD22 LEU 145 24.260 1.091 1.091 1072 1HD2 LEU 145 HD11 LEU 145 24.641 -1.288 -1.288 1073 2HD2 LEU 145 HD13 LEU 145 25.874 -1.130 -1.130 1074 3HD2 LEU 145 HD12 LEU 145 25.378 0.282 0.282 1075 H GLU 146 HN GLU 146 21.569 -3.321 -3.321 1076 HA GLU 146 HA GLU 146 23.411 -3.805 -3.805 1077 1HB GLU 146 HB2 GLU 146 22.013 -5.374 -5.374 1078 2HB GLU 146 HB1 GLU 146 21.176 -5.733 -5.733 1079 1HG GLU 146 HG1 GLU 146 24.101 -6.088 -6.088 1080 2HG GLU 146 HG2 GLU 146 22.900 -7.347 -7.347 1081 H LEU 147 HN LEU 147 19.882 -4.228 -4.228 1082 HA LEU 147 HA LEU 147 19.853 -4.474 -4.474 1083 1HB LEU 147 HB2 LEU 147 17.935 -4.129 -4.129 1084 2HB LEU 147 HB1 LEU 147 17.524 -3.032 -3.032 1085 HG LEU 147 HG LEU 147 18.033 -5.963 -5.963 1086 1HD1 LEU 147 HD12 LEU 147 16.058 -5.165 -5.165 1087 2HD1 LEU 147 HD11 LEU 147 15.259 -4.960 -4.960 1088 3HD1 LEU 147 HD13 LEU 147 15.911 -6.534 -6.534 1089 1HD2 LEU 147 HD23 LEU 147 17.920 -3.972 -3.972 1090 2HD2 LEU 147 HD22 LEU 147 17.349 -5.606 -5.606 1091 3HD2 LEU 147 HD21 LEU 147 16.202 -4.348 -4.348 1092 H ALA 148 HN ALA 148 19.793 -1.562 -1.562 1093 HA ALA 148 HA ALA 148 19.419 0.233 0.233 1094 1HB ALA 148 HB1 ALA 148 18.993 0.560 0.560 1095 2HB ALA 148 HB3 ALA 148 20.668 1.112 1.112 1096 3HB ALA 148 HB2 ALA 148 19.469 1.923 1.923 1097 H ARG 149 HN ARG 149 22.145 -1.291 -1.291 1098 HA ARG 149 HA ARG 149 24.159 0.472 0.472 1099 1HB ARG 149 HB1 ARG 149 24.345 -1.280 -1.280 1100 2HB ARG 149 HB2 ARG 149 24.550 -2.460 -2.460 1101 1HG ARG 149 HG1 ARG 149 26.314 -0.200 -0.200 1102 2HG ARG 149 HG2 ARG 149 26.535 -0.965 -0.965 1103 1HD ARG 149 HD2 ARG 149 26.263 -2.931 -2.931 1104 2HD ARG 149 HD1 ARG 149 27.582 -1.810 -1.810 1105 HE ARG 149 HE ARG 149 27.559 -2.879 -2.879 1106 1HH1 ARG 149 HH11 ARG 149 28.688 -3.277 -3.277 1107 2HH1 ARG 149 HH12 ARG 149 30.030 -4.276 -4.276 1108 1HH2 ARG 149 HH21 ARG 149 29.323 -4.196 -4.196 1109 2HH2 ARG 149 HH22 ARG 149 30.389 -4.801 -4.801 1110 H GLN 150 HN GLN 150 22.892 -2.618 -2.618 1111 HA GLN 150 HA GLN 150 24.544 -2.711 -2.711 1112 1HB GLN 150 HB1 GLN 150 22.453 -4.215 -4.215 1113 2HB GLN 150 HB2 GLN 150 23.725 -4.803 -4.803 1114 1HG GLN 150 HG1 GLN 150 22.387 -4.827 -4.827 1115 2HG GLN 150 HG2 GLN 150 21.428 -3.459 -3.459 1116 1HE2 GLN 150 HE22 GLN 150 20.332 -7.270 -7.270 1117 2HE2 GLN 150 HE21 GLN 150 21.836 -6.892 -6.892 1118 H ARG 151 HN ARG 151 21.005 -2.379 -2.379 1119 HA ARG 151 HA ARG 151 21.073 -0.958 -0.958 1120 1HB ARG 151 HB2 ARG 151 18.808 -1.475 -1.475 1121 2HB ARG 151 HB1 ARG 151 18.616 -0.745 -0.745 1122 1HG ARG 151 HG1 ARG 151 19.213 -2.742 -2.742 1123 2HG ARG 151 HG2 ARG 151 19.818 -3.469 -3.469 1124 1HD ARG 151 HD2 ARG 151 17.582 -3.569 -3.569 1125 2HD ARG 151 HD1 ARG 151 16.941 -2.718 -2.718 1126 HE ARG 151 HE ARG 151 17.568 -5.507 -5.507 1127 1HH1 ARG 151 HH21 ARG 151 17.280 -2.806 -2.806 1128 2HH1 ARG 151 HH22 ARG 151 16.967 -3.791 -3.791 1129 1HH2 ARG 151 HH11 ARG 151 17.153 -6.816 -6.816 1130 2HH2 ARG 151 HH12 ARG 151 16.893 -6.072 -6.072 1131 H GLY 152 HN GLY 152 22.672 0.529 0.529 1132 1HA GLY 152 HA1 GLY 152 21.479 2.509 2.509 1133 2HA GLY 152 HA2 GLY 152 23.083 2.582 2.582 1134 H ALA 153 HN ALA 153 19.767 2.525 2.525 1135 HA ALA 153 HA ALA 153 19.887 3.825 3.825 1136 1HB ALA 153 HB2 ALA 153 17.933 4.087 4.087 1137 2HB ALA 153 HB1 ALA 153 17.772 5.154 5.154 1138 3HB ALA 153 HB3 ALA 153 17.721 3.405 3.405 1139 H GLN 154 HN GLN 154 20.427 5.334 5.334 1140 HA GLN 154 HA GLN 154 22.113 7.311 7.311 1141 1HB GLN 154 HB2 GLN 154 20.455 9.310 9.310 1142 2HB GLN 154 HB1 GLN 154 20.562 8.491 8.491 1143 1HG GLN 154 HG1 GLN 154 18.249 9.050 9.050 1144 2HG GLN 154 HG2 GLN 154 18.481 7.643 7.643 1145 1HE2 GLN 154 HE22 GLN 154 17.732 7.232 7.232 1146 2HE2 GLN 154 HE21 GLN 154 18.067 8.774 8.774 1147 H ASN 155 HN ASN 155 19.903 8.940 8.940 1148 HA ASN 155 HA ASN 155 21.612 8.661 8.661 1149 1HB ASN 155 HB2 ASN 155 18.890 9.956 9.956 1150 2HB ASN 155 HB1 ASN 155 20.271 10.320 10.320 1151 1HD2 ASN 155 HD22 ASN 155 19.835 12.079 12.079 1152 2HD2 ASN 155 HD21 ASN 155 18.730 10.893 10.893 1153 H LEU 156 HN LEU 156 19.560 6.482 6.482 1154 HA LEU 156 HA LEU 156 17.719 5.805 5.805 1155 1HB LEU 156 HB2 LEU 156 19.018 4.520 4.520 1156 2HB LEU 156 HB1 LEU 156 18.861 3.384 3.384 1157 HG LEU 156 HG LEU 156 16.699 4.790 4.790 1158 1HD1 LEU 156 HD13 LEU 156 17.826 2.339 2.339 1159 2HD1 LEU 156 HD12 LEU 156 16.471 1.972 1.972 1160 3HD1 LEU 156 HD11 LEU 156 16.182 2.747 2.747 1161 1HD2 LEU 156 HD23 LEU 156 16.611 3.742 3.742 1162 2HD2 LEU 156 HD22 LEU 156 15.874 5.194 5.194 1163 3HD2 LEU 156 HD21 LEU 156 15.191 3.608 3.608 1164 H MET 157 HN MET 157 20.939 4.282 4.282 1165 HA MET 157 HA MET 157 20.864 2.958 2.958 1166 1HB MET 157 HB1 MET 157 23.084 2.496 2.496 1167 2HB MET 157 HB2 MET 157 22.609 2.981 2.981 1168 1HG MET 157 HG1 MET 157 23.598 5.107 5.107 1169 2HG MET 157 HG2 MET 157 23.818 4.891 4.891 1170 1HE MET 157 HE2 MET 157 25.170 2.620 2.620 1171 2HE MET 157 HE1 MET 157 24.728 1.579 1.579 1172 3HE MET 157 HE3 MET 157 26.427 1.850 1.850 1173 H ASP 158 HN ASP 158 21.463 6.309 6.309 1174 HA ASP 158 HA ASP 158 22.565 6.960 6.960 1175 1HB ASP 158 HB2 ASP 158 21.257 9.097 9.097 1176 2HB ASP 158 HB1 ASP 158 22.554 8.227 8.227 1177 H ILE 159 HN ILE 159 19.374 7.538 7.538 1178 HA ILE 159 HA ILE 159 18.177 8.850 8.850 1179 HB ILE 159 HB ILE 159 16.247 7.010 7.010 1180 1HG1 ILE 159 HG12 ILE 159 17.838 8.529 8.529 1181 2HG1 ILE 159 HG11 ILE 159 17.910 6.787 6.787 1182 1HG2 ILE 159 HG22 ILE 159 16.743 9.963 9.963 1183 2HG2 ILE 159 HG21 ILE 159 15.369 9.208 9.208 1184 3HG2 ILE 159 HG23 ILE 159 15.538 9.090 9.090 1185 1HD1 ILE 159 HD12 ILE 159 15.483 6.687 6.687 1186 2HD1 ILE 159 HD11 ILE 159 15.553 8.401 8.401 1187 3HD1 ILE 159 HD13 ILE 159 16.489 7.235 7.235 1188 H LEU 160 HN LEU 160 18.511 5.355 5.355 1189 HA LEU 160 HA LEU 160 17.049 4.709 4.709 1190 1HB LEU 160 HB1 LEU 160 18.898 2.656 2.656 1191 2HB LEU 160 HB2 LEU 160 17.155 2.598 2.598 1192 HG LEU 160 HG LEU 160 18.716 3.544 3.544 1193 1HD1 LEU 160 HD12 LEU 160 18.373 1.109 1.109 1194 2HD1 LEU 160 HD11 LEU 160 16.632 1.389 1.389 1195 3HD1 LEU 160 HD13 LEU 160 17.580 1.764 1.764 1196 1HD2 LEU 160 HD23 LEU 160 16.091 4.358 4.358 1197 2HD2 LEU 160 HD22 LEU 160 17.088 4.982 4.982 1198 3HD2 LEU 160 HD21 LEU 160 16.046 3.582 3.582 1199 H GLN 161 HN GLN 161 20.486 4.847 4.847 1200 HA GLN 161 HA GLN 161 21.583 3.880 3.880 1201 1HB GLN 161 HB2 GLN 161 22.477 5.450 5.450 1202 2HB GLN 161 HB1 GLN 161 23.273 5.948 5.948 1203 1HG GLN 161 HG2 GLN 161 23.763 3.475 3.475 1204 2HG GLN 161 HG1 GLN 161 23.298 3.260 3.260 1205 1HE2 GLN 161 HE22 GLN 161 26.999 4.269 4.269 1206 2HE2 GLN 161 HE21 GLN 161 25.869 3.532 3.532 1207 H GLY 162 HN GLY 162 20.783 7.263 7.263 1208 1HA GLY 162 HA1 GLY 162 21.587 8.355 8.355 1209 2HA GLY 162 HA2 GLY 162 20.438 9.086 9.086 1210 H HIS 163 HN HIS 163 18.419 7.187 7.187 1211 HA HIS 163 HA HIS 163 17.110 7.852 7.852 1212 1HB HIS 163 HB2 HIS 163 16.384 6.652 6.652 1213 2HB HIS 163 HB1 HIS 163 15.550 5.908 5.908 1214 HD2 HIS 163 HD2 HIS 163 14.890 8.603 8.603 1215 HE1 HIS 163 HE1 HIS 163 13.140 9.924 9.924 1216 HE2 HIS 163 HE2 HIS 163 13.414 10.403 10.403 1217 H MET 164 HN MET 164 19.312 5.473 5.473 1218 HA MET 164 HA MET 164 18.273 3.225 3.225 1219 1HB MET 164 HB1 MET 164 20.546 3.771 3.771 1220 2HB MET 164 HB2 MET 164 21.180 3.519 3.519 1221 1HG MET 164 HG2 MET 164 20.912 1.327 1.327 1222 2HG MET 164 HG1 MET 164 19.240 1.500 1.500 1223 1HE MET 164 HE2 MET 164 21.444 -0.520 -0.520 1224 2HE MET 164 HE1 MET 164 20.488 -1.070 -1.070 1225 3HE MET 164 HE3 MET 164 22.168 -0.585 -0.585 1226 H MET 165 HN MET 165 19.394 2.300 2.300 1227 HA MET 165 HA MET 165 19.020 4.182 4.182 1228 1HB MET 165 HB2 MET 165 18.464 1.602 1.602 1229 2HB MET 165 HB1 MET 165 20.112 1.440 1.440 1230 1HG MET 165 HG1 MET 165 19.246 1.638 1.638 1231 2HG MET 165 HG2 MET 165 19.051 3.350 3.350 1232 1HE MET 165 HE1 MET 165 17.054 3.993 3.993 1233 2HE MET 165 HE3 MET 165 16.835 4.553 4.553 1234 3HE MET 165 HE2 MET 165 15.476 3.857 3.857 1235 H ILE 166 HN ILE 166 20.687 5.673 5.673 1236 HA ILE 166 HA ILE 166 23.220 4.772 4.772 1237 HB ILE 166 HB ILE 166 24.313 6.365 6.365 1238 1HG1 ILE 166 HG12 ILE 166 21.895 5.172 5.172 1239 2HG1 ILE 166 HG11 ILE 166 22.267 6.885 6.885 1240 1HG2 ILE 166 HG23 ILE 166 23.918 3.496 3.496 1241 2HG2 ILE 166 HG22 ILE 166 24.257 3.993 3.993 1242 3HG2 ILE 166 HG21 ILE 166 25.382 4.410 4.410 1243 1HD1 ILE 166 HD12 ILE 166 24.479 6.035 6.035 1244 2HD1 ILE 166 HD11 ILE 166 23.269 4.932 4.932 1245 3HD1 ILE 166 HD13 ILE 166 23.043 6.675 6.675 1246 HA PRO 167 HA PRO 167 21.539 8.711 8.711 1247 1HB PRO 167 HB2 PRO 167 23.251 7.585 7.585 1248 2HB PRO 167 HB1 PRO 167 21.641 8.307 8.307 1249 1HG PRO 167 HG1 PRO 167 21.960 5.669 5.669 1250 2HG PRO 167 HG2 PRO 167 20.584 6.364 6.364 1251 1HD PRO 167 HD1 PRO 167 23.081 5.126 5.126 1252 2HD PRO 167 HD2 PRO 167 21.426 5.066 5.066 1253 H MET 168 HN MET 168 23.022 10.254 10.254 1254 HA MET 168 HA MET 168 24.627 11.874 11.874 1255 1HB MET 168 HB2 MET 168 26.782 9.915 9.915 1256 2HB MET 168 HB1 MET 168 26.576 11.124 11.124 1257 1HG MET 168 HG2 MET 168 24.919 9.639 9.639 1258 2HG MET 168 HG1 MET 168 25.280 8.413 8.413 1259 1HE MET 168 HE2 MET 168 25.679 9.059 9.059 1260 2HE MET 168 HE1 MET 168 25.522 7.405 7.405 1261 3HE MET 168 HE3 MET 168 26.940 7.875 7.875 Start of MODEL 10 1 1H GLY 1 HT2 GLY 1 -33.851 -22.546 -22.546 2 2H GLY 1 HT1 GLY 1 -34.005 -20.863 -20.863 3 3H GLY 1 HT3 GLY 1 -35.356 -21.851 -21.851 4 1HA GLY 1 HA1 GLY 1 -35.821 -21.962 -21.962 5 2HA GLY 1 HA2 GLY 1 -34.622 -20.696 -20.696 6 H SER 2 HN SER 2 -33.138 -21.134 -21.134 7 HA SER 2 HA SER 2 -32.097 -23.860 -23.860 8 1HB SER 2 HB2 SER 2 -32.158 -23.523 -23.523 9 2HB SER 2 HB1 SER 2 -33.671 -23.934 -23.934 10 HG SER 2 HG SER 2 -32.874 -21.544 -21.544 11 H MET 3 HN MET 3 -30.132 -23.254 -23.254 12 HA MET 3 HA MET 3 -27.935 -22.640 -22.640 13 1HB MET 3 HB1 MET 3 -28.479 -22.856 -22.856 14 2HB MET 3 HB2 MET 3 -28.558 -21.100 -21.100 15 1HG MET 3 HG2 MET 3 -26.306 -20.872 -20.872 16 2HG MET 3 HG1 MET 3 -26.167 -22.500 -22.500 17 1HE MET 3 HE1 MET 3 -24.310 -21.023 -21.023 18 2HE MET 3 HE3 MET 3 -23.798 -22.064 -22.064 19 3HE MET 3 HE2 MET 3 -24.847 -20.683 -20.683 20 H LEU 4 HN LEU 4 -28.089 -21.342 -21.342 21 HA LEU 4 HA LEU 4 -28.513 -18.471 -18.471 22 1HB LEU 4 HB2 LEU 4 -29.863 -20.065 -20.065 23 2HB LEU 4 HB1 LEU 4 -28.622 -19.354 -19.354 24 HG LEU 4 HG LEU 4 -30.733 -18.078 -18.078 25 1HD1 LEU 4 HD23 LEU 4 -28.422 -17.042 -17.042 26 2HD1 LEU 4 HD22 LEU 4 -28.631 -16.443 -16.443 27 3HD1 LEU 4 HD21 LEU 4 -29.755 -15.950 -15.950 28 1HD2 LEU 4 HD11 LEU 4 -31.231 -18.638 -18.638 29 2HD2 LEU 4 HD13 LEU 4 -31.636 -17.019 -17.019 30 3HD2 LEU 4 HD12 LEU 4 -30.180 -17.276 -17.276 31 H LEU 5 HN LEU 5 -26.490 -17.726 -17.726 32 HA LEU 5 HA LEU 5 -24.745 -17.297 -17.297 33 1HB LEU 5 HB1 LEU 5 -24.473 -19.862 -19.862 34 2HB LEU 5 HB2 LEU 5 -23.194 -18.978 -18.978 35 HG LEU 5 HG LEU 5 -23.556 -18.910 -18.910 36 1HD1 LEU 5 HD12 LEU 5 -22.327 -20.977 -20.977 37 2HD1 LEU 5 HD11 LEU 5 -21.450 -20.510 -20.510 38 3HD1 LEU 5 HD13 LEU 5 -23.097 -21.127 -21.127 39 1HD2 LEU 5 HD23 LEU 5 -22.160 -17.204 -17.204 40 2HD2 LEU 5 HD22 LEU 5 -21.493 -17.894 -17.894 41 3HD2 LEU 5 HD21 LEU 5 -20.995 -18.526 -18.526 42 H GLU 6 HN GLU 6 -25.370 -15.311 -15.311 43 HA GLU 6 HA GLU 6 -23.155 -14.605 -14.605 44 1HB GLU 6 HB2 GLU 6 -25.432 -15.485 -15.485 45 2HB GLU 6 HB1 GLU 6 -25.718 -13.752 -13.752 46 1HG GLU 6 HG1 GLU 6 -23.508 -15.231 -15.231 47 2HG GLU 6 HG2 GLU 6 -24.687 -14.113 -14.113 48 H GLU 7 HN GLU 7 -22.477 -13.023 -13.023 49 HA GLU 7 HA GLU 7 -24.374 -10.829 -10.829 50 1HB GLU 7 HB2 GLU 7 -23.478 -12.303 -12.303 51 2HB GLU 7 HB1 GLU 7 -22.027 -11.327 -11.327 52 1HG GLU 7 HG2 GLU 7 -24.716 -10.049 -10.049 53 2HG GLU 7 HG1 GLU 7 -23.800 -10.589 -10.589 54 H VAL 8 HN VAL 8 -23.555 -10.058 -10.058 55 HA VAL 8 HA VAL 8 -21.023 -8.591 -8.591 56 HB VAL 8 HB VAL 8 -20.746 -10.421 -10.421 57 1HG1 VAL 8 HG11 VAL 8 -23.294 -9.479 -9.479 58 2HG1 VAL 8 HG13 VAL 8 -22.131 -9.437 -9.437 59 3HG1 VAL 8 HG12 VAL 8 -22.419 -10.941 -10.941 60 1HG2 VAL 8 HG23 VAL 8 -19.933 -7.824 -7.824 61 2HG2 VAL 8 HG22 VAL 8 -19.358 -9.163 -9.163 62 3HG2 VAL 8 HG21 VAL 8 -20.661 -8.126 -8.126 63 H CYS 9 HN CYS 9 -24.137 -8.109 -8.109 64 HA CYS 9 HA CYS 9 -24.984 -6.362 -6.362 65 1HB CYS 9 HB1 CYS 9 -26.234 -5.195 -5.195 66 2HB CYS 9 HB2 CYS 9 -26.536 -6.912 -6.912 67 HG CYS 9 HG CYS 9 -24.604 -7.070 -7.070 68 H VAL 10 HN VAL 10 -23.678 -4.885 -4.885 69 HA VAL 10 HA VAL 10 -22.727 -2.820 -2.820 70 HB VAL 10 HB VAL 10 -22.923 -1.179 -1.179 71 1HG1 VAL 10 HG21 VAL 10 -25.009 -2.996 -2.996 72 2HG1 VAL 10 HG23 VAL 10 -24.770 -2.652 -2.652 73 3HG1 VAL 10 HG22 VAL 10 -25.073 -1.333 -1.333 74 1HG2 VAL 10 HG11 VAL 10 -21.860 -3.188 -3.188 75 2HG2 VAL 10 HG13 VAL 10 -21.591 -1.446 -1.446 76 3HG2 VAL 10 HG12 VAL 10 -23.029 -2.088 -2.088 77 H GLY 11 HN GLY 11 -21.538 -5.426 -5.426 78 1HA GLY 11 HA2 GLY 11 -19.123 -4.726 -4.726 79 2HA GLY 11 HA1 GLY 11 -19.387 -6.223 -6.223 80 H ASP 12 HN ASP 12 -19.938 -4.942 -4.942 81 HA ASP 12 HA ASP 12 -17.190 -4.159 -4.159 82 1HB ASP 12 HB2 ASP 12 -19.321 -5.102 -5.102 83 2HB ASP 12 HB1 ASP 12 -18.247 -6.212 -6.212 84 H ARG 13 HN ARG 13 -19.262 -2.368 -2.368 85 HA ARG 13 HA ARG 13 -19.896 -0.653 -0.653 86 1HB ARG 13 HB1 ARG 13 -21.691 -1.041 -1.041 87 2HB ARG 13 HB2 ARG 13 -20.682 -0.494 -0.494 88 1HG ARG 13 HG1 ARG 13 -21.892 1.392 1.392 89 2HG ARG 13 HG2 ARG 13 -20.566 1.703 1.703 90 1HD ARG 13 HD2 ARG 13 -23.127 0.353 0.353 91 2HD ARG 13 HD1 ARG 13 -22.898 2.100 2.100 92 HE ARG 13 HE ARG 13 -20.767 1.000 1.000 93 1HH1 ARG 13 HH21 ARG 13 -24.238 0.967 0.967 94 2HH1 ARG 13 HH22 ARG 13 -24.232 0.782 0.782 95 1HH2 ARG 13 HH11 ARG 13 -20.746 0.756 0.756 96 2HH2 ARG 13 HH12 ARG 13 -22.246 0.663 0.663 97 H LEU 14 HN LEU 14 -18.425 -0.282 -0.282 98 HA LEU 14 HA LEU 14 -17.294 2.263 2.263 99 1HB LEU 14 HB1 LEU 14 -17.877 1.616 1.616 100 2HB LEU 14 HB2 LEU 14 -16.676 0.340 0.340 101 HG LEU 14 HG LEU 14 -14.935 2.150 2.150 102 1HD1 LEU 14 HD21 LEU 14 -17.297 3.881 3.881 103 2HD1 LEU 14 HD23 LEU 14 -15.618 4.409 4.409 104 3HD1 LEU 14 HD22 LEU 14 -16.301 3.958 3.958 105 1HD2 LEU 14 HD12 LEU 14 -16.557 1.976 1.976 106 2HD2 LEU 14 HD11 LEU 14 -15.072 1.115 1.115 107 3HD2 LEU 14 HD13 LEU 14 -15.030 2.852 2.852 108 H SER 15 HN SER 15 -16.062 -1.045 -1.045 109 HA SER 15 HA SER 15 -13.346 -0.517 -0.517 110 1HB SER 15 HB1 SER 15 -13.653 -2.735 -2.735 111 2HB SER 15 HB2 SER 15 -15.130 -2.843 -2.843 112 HG SER 15 HG SER 15 -13.201 -3.951 -3.951 113 H GLY 16 HN GLY 16 -15.966 -0.658 -0.658 114 1HA GLY 16 HA2 GLY 16 -14.288 -0.625 -0.625 115 2HA GLY 16 HA1 GLY 16 -16.014 -0.296 -0.296 116 H ALA 17 HN ALA 17 -16.314 1.895 1.895 117 HA ALA 17 HA ALA 17 -15.303 3.952 3.952 118 1HB ALA 17 HB2 ALA 17 -17.154 3.803 3.803 119 2HB ALA 17 HB1 ALA 17 -16.403 5.364 5.364 120 3HB ALA 17 HB3 ALA 17 -17.362 4.566 4.566 121 H ALA 18 HN ALA 18 -14.602 2.884 2.884 122 HA ALA 18 HA ALA 18 -12.849 5.011 5.011 123 1HB ALA 18 HB2 ALA 18 -13.966 3.470 3.470 124 2HB ALA 18 HB1 ALA 18 -12.798 2.235 2.235 125 3HB ALA 18 HB3 ALA 18 -12.245 3.732 3.732 126 H ALA 19 HN ALA 19 -12.236 1.681 1.681 127 HA ALA 19 HA ALA 19 -9.417 1.988 1.988 128 1HB ALA 19 HB1 ALA 19 -10.606 -0.190 -0.190 129 2HB ALA 19 HB3 ALA 19 -11.111 -0.016 -0.016 130 3HB ALA 19 HB2 ALA 19 -9.398 -0.148 -0.148 131 H ARG 20 HN ARG 20 -11.903 3.166 3.166 132 HA ARG 20 HA ARG 20 -10.691 3.032 3.032 133 1HB ARG 20 HB2 ARG 20 -13.029 4.306 4.306 134 2HB ARG 20 HB1 ARG 20 -12.299 5.275 5.275 135 1HG ARG 20 HG2 ARG 20 -12.587 3.548 3.548 136 2HG ARG 20 HG1 ARG 20 -13.032 2.381 2.381 137 1HD ARG 20 HD1 ARG 20 -15.117 3.368 3.368 138 2HD ARG 20 HD2 ARG 20 -14.635 4.877 4.877 139 HE ARG 20 HE ARG 20 -14.497 2.869 2.869 140 1HH1 ARG 20 HH11 ARG 20 -16.903 4.453 4.453 141 2HH1 ARG 20 HH12 ARG 20 -18.177 4.221 4.221 142 1HH2 ARG 20 HH21 ARG 20 -16.169 2.560 2.560 143 2HH2 ARG 20 HH22 ARG 20 -17.761 3.143 3.143 144 H GLY 21 HN GLY 21 -10.710 5.505 5.505 145 1HA GLY 21 HA2 GLY 21 -8.731 6.814 6.814 146 2HA GLY 21 HA1 GLY 21 -8.359 6.714 6.714 147 H ASP 22 HN ASP 22 -11.108 7.796 7.796 148 HA ASP 22 HA ASP 22 -10.991 10.383 10.383 149 1HB ASP 22 HB2 ASP 22 -13.736 9.526 9.526 150 2HB ASP 22 HB1 ASP 22 -12.893 8.470 8.470 151 H VAL 23 HN VAL 23 -10.272 11.437 11.437 152 HA VAL 23 HA VAL 23 -11.084 11.078 11.078 153 HB VAL 23 HB VAL 23 -9.176 12.447 12.447 154 1HG1 VAL 23 HG12 VAL 23 -11.085 14.246 14.246 155 2HG1 VAL 23 HG11 VAL 23 -9.437 14.702 14.702 156 3HG1 VAL 23 HG13 VAL 23 -9.720 13.349 13.349 157 1HG2 VAL 23 HG21 VAL 23 -10.517 12.983 12.983 158 2HG2 VAL 23 HG23 VAL 23 -9.603 14.359 14.359 159 3HG2 VAL 23 HG22 VAL 23 -11.335 14.245 14.245 160 H GLN 24 HN GLN 24 -12.815 12.422 12.422 161 HA GLN 24 HA GLN 24 -14.568 14.109 14.109 162 1HB GLN 24 HB2 GLN 24 -14.795 12.895 12.895 163 2HB GLN 24 HB1 GLN 24 -15.961 14.031 14.031 164 1HG GLN 24 HG2 GLN 24 -14.607 15.803 15.803 165 2HG GLN 24 HG1 GLN 24 -13.148 14.889 14.889 166 1HE2 GLN 24 HE22 GLN 24 -14.516 15.145 15.145 167 2HE2 GLN 24 HE21 GLN 24 -15.537 15.531 15.531 168 H GLU 25 HN GLU 25 -15.020 10.918 10.918 169 HA GLU 25 HA GLU 25 -17.576 10.515 10.515 170 1HB GLU 25 HB1 GLU 25 -15.815 8.349 8.349 171 2HB GLU 25 HB2 GLU 25 -17.571 8.391 8.391 172 1HG GLU 25 HG1 GLU 25 -17.573 9.130 9.130 173 2HG GLU 25 HG2 GLU 25 -16.872 10.635 10.635 174 H VAL 26 HN VAL 26 -14.287 9.536 9.536 175 HA VAL 26 HA VAL 26 -14.776 7.585 7.585 176 HB VAL 26 HB VAL 26 -12.515 8.486 8.486 177 1HG1 VAL 26 HG23 VAL 26 -12.953 10.275 10.275 178 2HG1 VAL 26 HG22 VAL 26 -11.374 9.966 9.966 179 3HG1 VAL 26 HG21 VAL 26 -12.633 10.758 10.758 180 1HG2 VAL 26 HG11 VAL 26 -13.264 6.943 6.943 181 2HG2 VAL 26 HG13 VAL 26 -11.727 6.918 6.918 182 3HG2 VAL 26 HG12 VAL 26 -11.934 7.971 7.971 183 H ARG 27 HN ARG 27 -14.759 11.104 11.104 184 HA ARG 27 HA ARG 27 -15.195 11.014 11.014 185 1HB ARG 27 HB2 ARG 27 -15.813 13.279 13.279 186 2HB ARG 27 HB1 ARG 27 -15.597 13.398 13.398 187 1HG ARG 27 HG2 ARG 27 -13.291 13.008 13.008 188 2HG ARG 27 HG1 ARG 27 -13.413 12.410 12.410 189 1HD ARG 27 HD1 ARG 27 -12.533 14.820 14.820 190 2HD ARG 27 HD2 ARG 27 -13.639 14.523 14.523 191 HE ARG 27 HE ARG 27 -14.872 15.301 15.301 192 1HH1 ARG 27 HH21 ARG 27 -13.639 16.309 16.309 193 2HH1 ARG 27 HH22 ARG 27 -14.546 17.785 17.785 194 1HH2 ARG 27 HH11 ARG 27 -16.070 17.239 17.239 195 2HH2 ARG 27 HH12 ARG 27 -15.927 18.314 18.314 196 H ARG 28 HN ARG 28 -17.353 11.683 11.683 197 HA ARG 28 HA ARG 28 -19.693 11.928 11.928 198 1HB ARG 28 HB2 ARG 28 -19.642 11.108 11.108 199 2HB ARG 28 HB1 ARG 28 -20.896 11.995 11.995 200 1HG ARG 28 HG1 ARG 28 -18.801 13.665 13.665 201 2HG ARG 28 HG2 ARG 28 -18.404 12.949 12.949 202 1HD ARG 28 HD1 ARG 28 -21.207 13.676 13.676 203 2HD ARG 28 HD2 ARG 28 -20.139 15.056 15.056 204 HE ARG 28 HE ARG 28 -19.402 13.496 13.496 205 1HH1 ARG 28 HH11 ARG 28 -21.557 15.982 15.982 206 2HH1 ARG 28 HH12 ARG 28 -21.790 16.682 16.682 207 1HH2 ARG 28 HH21 ARG 28 -19.702 14.410 14.410 208 2HH2 ARG 28 HH22 ARG 28 -20.736 15.787 15.787 209 H LEU 29 HN LEU 29 -17.842 9.249 9.249 210 HA LEU 29 HA LEU 29 -19.933 7.315 7.315 211 1HB LEU 29 HB1 LEU 29 -16.971 7.258 7.258 212 2HB LEU 29 HB2 LEU 29 -17.841 5.805 5.805 213 HG LEU 29 HG LEU 29 -18.299 7.137 7.137 214 1HD1 LEU 29 HD12 LEU 29 -15.922 5.747 5.747 215 2HD1 LEU 29 HD11 LEU 29 -16.678 4.953 4.953 216 3HD1 LEU 29 HD13 LEU 29 -16.207 6.649 6.649 217 1HD2 LEU 29 HD22 LEU 29 -18.769 4.384 4.384 218 2HD2 LEU 29 HD21 LEU 29 -19.967 5.544 5.544 219 3HD2 LEU 29 HD23 LEU 29 -18.878 4.764 4.764 220 H LEU 30 HN LEU 30 -17.404 7.554 7.554 221 HA LEU 30 HA LEU 30 -18.979 6.151 6.151 222 1HB LEU 30 HB1 LEU 30 -16.567 7.799 7.799 223 2HB LEU 30 HB2 LEU 30 -17.126 6.315 6.315 224 HG LEU 30 HG LEU 30 -15.359 5.508 5.508 225 1HD1 LEU 30 HD22 LEU 30 -17.822 4.909 4.909 226 2HD1 LEU 30 HD21 LEU 30 -16.839 5.302 5.302 227 3HD1 LEU 30 HD23 LEU 30 -16.316 4.040 4.040 228 1HD2 LEU 30 HD13 LEU 30 -15.606 7.964 7.964 229 2HD2 LEU 30 HD12 LEU 30 -14.208 6.900 6.900 230 3HD2 LEU 30 HD11 LEU 30 -15.379 6.640 6.640 231 H HIS 31 HN HIS 31 -18.008 9.551 9.551 232 HA HIS 31 HA HIS 31 -19.337 10.407 10.407 233 1HB HIS 31 HB2 HIS 31 -18.455 12.070 12.070 234 2HB HIS 31 HB1 HIS 31 -18.846 12.667 12.667 235 HD2 HIS 31 HD2 HIS 31 -15.931 13.377 13.377 236 HE1 HIS 31 HE1 HIS 31 -14.694 10.029 10.029 237 HE2 HIS 31 HE2 HIS 31 -13.982 12.256 12.256 238 H ARG 32 HN ARG 32 -20.488 9.548 9.548 239 HA ARG 32 HA ARG 32 -23.062 10.818 10.818 240 1HB ARG 32 HB2 ARG 32 -21.380 11.386 11.386 241 2HB ARG 32 HB1 ARG 32 -22.876 10.650 10.650 242 1HG ARG 32 HG2 ARG 32 -23.988 12.387 12.387 243 2HG ARG 32 HG1 ARG 32 -22.448 13.232 13.232 244 1HD ARG 32 HD2 ARG 32 -22.725 13.152 13.152 245 2HD ARG 32 HD1 ARG 32 -24.295 12.384 12.384 246 HE ARG 32 HE ARG 32 -23.679 15.165 15.165 247 1HH1 ARG 32 HH21 ARG 32 -25.806 12.607 12.607 248 2HH1 ARG 32 HH22 ARG 32 -27.105 13.677 13.677 249 1HH2 ARG 32 HH11 ARG 32 -25.383 16.583 16.583 250 2HH2 ARG 32 HH12 ARG 32 -26.865 15.937 15.937 251 H GLU 33 HN GLU 33 -22.014 8.839 8.839 252 HA GLU 33 HA GLU 33 -24.151 7.245 7.245 253 1HB GLU 33 HB2 GLU 33 -21.790 7.203 7.203 254 2HB GLU 33 HB1 GLU 33 -21.473 5.904 5.904 255 1HG GLU 33 HG1 GLU 33 -23.887 5.170 5.170 256 2HG GLU 33 HG2 GLU 33 -23.100 5.927 5.927 257 H LEU 34 HN LEU 34 -21.861 7.064 7.064 258 HA LEU 34 HA LEU 34 -21.849 5.904 5.904 259 1HB LEU 34 HB2 LEU 34 -24.695 6.025 6.025 260 2HB LEU 34 HB1 LEU 34 -24.285 4.774 4.774 261 HG LEU 34 HG LEU 34 -23.689 7.715 7.715 262 1HD1 LEU 34 HD11 LEU 34 -26.144 6.703 6.703 263 2HD1 LEU 34 HD13 LEU 34 -25.616 6.266 6.266 264 3HD1 LEU 34 HD12 LEU 34 -25.594 7.954 7.954 265 1HD2 LEU 34 HD23 LEU 34 -22.647 5.397 5.397 266 2HD2 LEU 34 HD22 LEU 34 -22.324 7.095 7.095 267 3HD2 LEU 34 HD21 LEU 34 -23.663 6.270 6.270 268 H VAL 35 HN VAL 35 -20.817 4.561 4.561 269 HA VAL 35 HA VAL 35 -21.908 1.857 1.857 270 HB VAL 35 HB VAL 35 -19.575 2.960 2.960 271 1HG1 VAL 35 HG11 VAL 35 -20.979 0.304 0.304 272 2HG1 VAL 35 HG13 VAL 35 -20.023 0.880 0.880 273 3HG1 VAL 35 HG12 VAL 35 -19.259 0.635 0.635 274 1HG2 VAL 35 HG23 VAL 35 -22.344 3.359 3.359 275 2HG2 VAL 35 HG22 VAL 35 -21.033 3.797 3.797 276 3HG2 VAL 35 HG21 VAL 35 -21.823 2.227 2.227 277 H HIS 36 HN HIS 36 -21.307 0.609 0.609 278 HA HIS 36 HA HIS 36 -19.264 0.960 0.960 279 1HB HIS 36 HB2 HIS 36 -21.136 -1.065 -1.065 280 2HB HIS 36 HB1 HIS 36 -19.567 -1.862 -1.862 281 HD2 HIS 36 HD2 HIS 36 -20.864 1.009 1.009 282 HE1 HIS 36 HE1 HIS 36 -19.799 -2.405 -2.405 283 HE2 HIS 36 HE2 HIS 36 -20.770 -0.064 -0.064 284 HA PRO 37 HA PRO 37 -15.539 0.553 0.553 285 1HB PRO 37 HB1 PRO 37 -14.421 -0.135 -0.135 286 2HB PRO 37 HB2 PRO 37 -13.881 1.073 1.073 287 1HG PRO 37 HG2 PRO 37 -15.182 1.800 1.800 288 2HG PRO 37 HG1 PRO 37 -15.476 2.620 2.620 289 1HD PRO 37 HD2 PRO 37 -17.149 0.596 0.596 290 2HD PRO 37 HD1 PRO 37 -17.651 2.007 2.007 291 H ASP 38 HN ASP 38 -16.509 -1.832 -1.832 292 HA ASP 38 HA ASP 38 -14.762 -3.893 -3.893 293 1HB ASP 38 HB1 ASP 38 -17.133 -5.170 -5.170 294 2HB ASP 38 HB2 ASP 38 -17.230 -3.611 -3.611 295 H ALA 39 HN ALA 39 -17.466 -2.641 -2.641 296 HA ALA 39 HA ALA 39 -18.613 -4.547 -4.547 297 1HB ALA 39 HB2 ALA 39 -17.455 -1.952 -1.952 298 2HB ALA 39 HB1 ALA 39 -18.373 -3.010 -3.010 299 3HB ALA 39 HB3 ALA 39 -19.133 -2.344 -2.344 300 H LEU 40 HN LEU 40 -17.786 -6.418 -6.418 301 HA LEU 40 HA LEU 40 -15.160 -6.425 -6.425 302 1HB LEU 40 HB1 LEU 40 -16.814 -8.615 -8.615 303 2HB LEU 40 HB2 LEU 40 -15.393 -8.940 -8.940 304 HG LEU 40 HG LEU 40 -14.373 -7.176 -7.176 305 1HD1 LEU 40 HD22 LEU 40 -16.685 -7.296 -7.296 306 2HD1 LEU 40 HD21 LEU 40 -16.170 -8.890 -8.890 307 3HD1 LEU 40 HD23 LEU 40 -15.249 -7.458 -7.458 308 1HD2 LEU 40 HD13 LEU 40 -14.104 -9.872 -9.872 309 2HD2 LEU 40 HD12 LEU 40 -13.020 -8.901 -8.901 310 3HD2 LEU 40 HD11 LEU 40 -14.311 -9.838 -9.838 311 H ASN 41 HN ASN 41 -14.925 -6.908 -6.908 312 HA ASN 41 HA ASN 41 -17.238 -6.983 -6.983 313 1HB ASN 41 HB2 ASN 41 -15.746 -6.893 -6.893 314 2HB ASN 41 HB1 ASN 41 -14.948 -5.973 -5.973 315 1HD2 ASN 41 HD21 ASN 41 -12.959 -6.526 -6.526 316 2HD2 ASN 41 HD22 ASN 41 -12.134 -7.957 -7.957 317 H ARG 42 HN ARG 42 -17.679 -8.669 -8.669 318 HA ARG 42 HA ARG 42 -18.352 -11.077 -11.077 319 1HB ARG 42 HB1 ARG 42 -18.518 -11.861 -11.861 320 2HB ARG 42 HB2 ARG 42 -18.592 -10.115 -10.115 321 1HG ARG 42 HG1 ARG 42 -16.204 -10.093 -10.093 322 2HG ARG 42 HG2 ARG 42 -16.169 -11.852 -11.852 323 1HD ARG 42 HD2 ARG 42 -18.227 -10.674 -10.674 324 2HD ARG 42 HD1 ARG 42 -16.552 -10.606 -10.606 325 HE ARG 42 HE ARG 42 -18.220 -12.879 -12.879 326 1HH1 ARG 42 HH21 ARG 42 -14.942 -11.912 -11.912 327 2HH1 ARG 42 HH22 ARG 42 -14.270 -13.460 -13.460 328 1HH2 ARG 42 HH11 ARG 42 -17.345 -14.923 -14.923 329 2HH2 ARG 42 HH12 ARG 42 -15.635 -15.174 -15.174 330 H PHE 43 HN PHE 43 -15.125 -10.291 -10.291 331 HA PHE 43 HA PHE 43 -13.975 -12.819 -12.819 332 1HB PHE 43 HB2 PHE 43 -13.066 -10.477 -10.477 333 2HB PHE 43 HB1 PHE 43 -12.325 -10.443 -10.443 334 HD1 PHE 43 HD1 PHE 43 -12.893 -13.279 -13.279 335 HD2 PHE 43 HD2 PHE 43 -10.069 -10.820 -10.820 336 HE1 PHE 43 HE1 PHE 43 -11.061 -14.709 -14.709 337 HE2 PHE 43 HE2 PHE 43 -8.231 -12.244 -12.244 338 HZ PHE 43 HZ PHE 43 -8.726 -14.190 -14.190 339 H GLY 44 HN GLY 44 -14.063 -10.231 -10.231 340 1HA GLY 44 HA2 GLY 44 -14.561 -10.985 -10.985 341 2HA GLY 44 HA1 GLY 44 -13.418 -12.288 -12.288 342 H LYS 45 HN LYS 45 -12.986 -8.934 -8.934 343 HA LYS 45 HA LYS 45 -10.746 -8.754 -8.754 344 1HB LYS 45 HB2 LYS 45 -10.846 -8.336 -8.336 345 2HB LYS 45 HB1 LYS 45 -10.390 -6.838 -6.838 346 1HG LYS 45 HG2 LYS 45 -8.339 -7.585 -7.585 347 2HG LYS 45 HG1 LYS 45 -8.954 -9.065 -9.065 348 1HD LYS 45 HD2 LYS 45 -8.699 -10.273 -10.273 349 2HD LYS 45 HD1 LYS 45 -9.173 -8.931 -8.931 350 1HE LYS 45 HE1 LYS 45 -7.055 -8.326 -8.326 351 2HE LYS 45 HE2 LYS 45 -6.637 -8.467 -8.467 352 1HZ LYS 45 HZ1 LYS 45 -6.753 -11.002 -11.002 353 2HZ LYS 45 HZ3 LYS 45 -6.464 -10.479 -10.479 354 3HZ LYS 45 HZ2 LYS 45 -5.359 -10.112 -10.112 355 H THR 46 HN THR 46 -10.268 -6.624 -6.624 356 HA THR 46 HA THR 46 -12.706 -5.163 -5.163 357 HB THR 46 HB THR 46 -10.675 -3.839 -3.839 358 HG1 THR 46 HG1 THR 46 -9.188 -5.437 -5.437 359 1HG2 THR 46 HG23 THR 46 -12.856 -4.885 -4.885 360 2HG2 THR 46 HG22 THR 46 -11.855 -6.298 -6.298 361 3HG2 THR 46 HG21 THR 46 -11.477 -4.748 -4.748 362 H ALA 47 HN ALA 47 -13.021 -2.961 -2.961 363 HA ALA 47 HA ALA 47 -12.155 -1.949 -1.949 364 1HB ALA 47 HB3 ALA 47 -13.491 -0.706 -0.706 365 2HB ALA 47 HB2 ALA 47 -13.017 0.276 0.276 366 3HB ALA 47 HB1 ALA 47 -14.153 -1.056 -1.056 367 H LEU 48 HN LEU 48 -10.765 -1.696 -1.696 368 HA LEU 48 HA LEU 48 -9.046 0.506 0.506 369 1HB LEU 48 HB1 LEU 48 -9.428 0.132 0.132 370 2HB LEU 48 HB2 LEU 48 -9.180 -1.597 -1.597 371 HG LEU 48 HG LEU 48 -6.733 -1.086 -1.086 372 1HD1 LEU 48 HD23 LEU 48 -7.789 1.610 1.610 373 2HD1 LEU 48 HD22 LEU 48 -6.418 1.299 1.299 374 3HD1 LEU 48 HD21 LEU 48 -6.257 1.055 1.055 375 1HD2 LEU 48 HD13 LEU 48 -8.156 -1.405 -1.405 376 2HD2 LEU 48 HD12 LEU 48 -6.416 -1.590 -1.590 377 3HD2 LEU 48 HD11 LEU 48 -7.079 -0.046 -0.046 378 H GLN 49 HN GLN 49 -8.547 -3.013 -3.013 379 HA GLN 49 HA GLN 49 -5.825 -2.988 -2.988 380 1HB GLN 49 HB2 GLN 49 -7.298 -4.942 -4.942 381 2HB GLN 49 HB1 GLN 49 -7.715 -5.154 -5.154 382 1HG GLN 49 HG1 GLN 49 -5.411 -5.551 -5.551 383 2HG GLN 49 HG2 GLN 49 -4.908 -5.194 -5.194 384 1HE2 GLN 49 HE22 GLN 49 -4.872 -8.770 -8.770 385 2HE2 GLN 49 HE21 GLN 49 -3.934 -7.402 -7.402 386 H VAL 50 HN VAL 50 -8.648 -2.490 -2.490 387 HA VAL 50 HA VAL 50 -7.059 -2.671 -2.671 388 HB VAL 50 HB VAL 50 -9.326 -2.508 -2.508 389 1HG1 VAL 50 HG13 VAL 50 -8.068 -4.733 -4.733 390 2HG1 VAL 50 HG12 VAL 50 -9.809 -4.973 -4.973 391 3HG1 VAL 50 HG11 VAL 50 -8.832 -4.664 -4.664 392 1HG2 VAL 50 HG22 VAL 50 -10.208 -1.896 -1.896 393 2HG2 VAL 50 HG21 VAL 50 -11.224 -2.349 -2.349 394 3HG2 VAL 50 HG23 VAL 50 -10.713 -3.573 -3.573 395 H MET 51 HN MET 51 -8.402 -0.460 -0.460 396 HA MET 51 HA MET 51 -9.316 1.672 1.672 397 1HB MET 51 HB2 MET 51 -9.099 1.684 1.684 398 2HB MET 51 HB1 MET 51 -7.347 1.759 1.759 399 1HG MET 51 HG2 MET 51 -8.142 3.920 3.920 400 2HG MET 51 HG1 MET 51 -9.336 3.878 3.878 401 1HE MET 51 HE1 MET 51 -5.549 3.900 3.900 402 2HE MET 51 HE3 MET 51 -4.790 4.114 4.114 403 3HE MET 51 HE2 MET 51 -5.608 2.600 2.600 404 H MET 52 HN MET 52 -8.479 3.426 3.426 405 HA MET 52 HA MET 52 -5.964 2.924 2.924 406 1HB MET 52 HB1 MET 52 -8.393 4.278 4.278 407 2HB MET 52 HB2 MET 52 -7.080 5.440 5.440 408 1HG MET 52 HG1 MET 52 -6.892 2.760 2.760 409 2HG MET 52 HG2 MET 52 -7.737 4.102 4.102 410 1HE MET 52 HE2 MET 52 -6.435 6.604 6.604 411 2HE MET 52 HE1 MET 52 -5.008 6.665 6.665 412 3HE MET 52 HE3 MET 52 -6.512 5.978 5.978 413 H PHE 53 HN PHE 53 -4.094 4.014 4.014 414 HA PHE 53 HA PHE 53 -3.934 5.799 5.799 415 1HB PHE 53 HB2 PHE 53 -1.759 4.678 4.678 416 2HB PHE 53 HB1 PHE 53 -1.492 5.619 5.619 417 HD1 PHE 53 HD2 PHE 53 -3.249 2.527 2.527 418 HD2 PHE 53 HD1 PHE 53 -1.155 4.515 4.515 419 HE1 PHE 53 HE2 PHE 53 -3.305 0.461 0.461 420 HE2 PHE 53 HE1 PHE 53 -1.208 2.453 2.453 421 HZ PHE 53 HZ PHE 53 -2.311 0.416 0.416 422 H GLY 54 HN GLY 54 -4.468 6.146 6.146 423 1HA GLY 54 HA2 GLY 54 -2.906 8.250 8.250 424 2HA GLY 54 HA1 GLY 54 -4.586 8.025 8.025 425 H SER 55 HN SER 55 -5.793 8.377 8.377 426 HA SER 55 HA SER 55 -5.303 11.247 11.247 427 1HB SER 55 HB1 SER 55 -7.811 9.586 9.586 428 2HB SER 55 HB2 SER 55 -7.678 11.231 11.231 429 HG SER 55 HG SER 55 -7.210 10.506 10.506 430 HA PRO 56 HA PRO 56 -3.904 10.062 10.062 431 1HB PRO 56 HB1 PRO 56 -3.603 12.555 12.555 432 2HB PRO 56 HB2 PRO 56 -2.473 11.856 11.856 433 1HG PRO 56 HG2 PRO 56 -4.735 13.764 13.764 434 2HG PRO 56 HG1 PRO 56 -3.094 13.791 13.791 435 1HD PRO 56 HD1 PRO 56 -5.238 12.860 12.860 436 2HD PRO 56 HD2 PRO 56 -3.599 12.221 12.221 437 H ALA 57 HN ALA 57 -6.525 12.372 12.372 438 HA ALA 57 HA ALA 57 -7.510 12.404 12.404 439 1HB ALA 57 HB3 ALA 57 -8.550 13.181 13.181 440 2HB ALA 57 HB2 ALA 57 -9.730 12.947 12.947 441 3HB ALA 57 HB1 ALA 57 -8.427 14.118 14.118 442 H VAL 58 HN VAL 58 -8.074 10.231 10.231 443 HA VAL 58 HA VAL 58 -10.303 8.877 8.877 444 HB VAL 58 HB VAL 58 -9.893 7.211 7.211 445 1HG1 VAL 58 HG21 VAL 58 -8.833 9.824 9.824 446 2HG1 VAL 58 HG23 VAL 58 -9.393 8.485 8.485 447 3HG1 VAL 58 HG22 VAL 58 -10.522 9.320 9.320 448 1HG2 VAL 58 HG11 VAL 58 -7.103 7.807 7.807 449 2HG2 VAL 58 HG13 VAL 58 -7.848 6.324 6.324 450 3HG2 VAL 58 HG12 VAL 58 -7.446 7.620 7.620 451 H ALA 59 HN ALA 59 -6.874 8.583 8.583 452 HA ALA 59 HA ALA 59 -6.861 6.063 6.063 453 1HB ALA 59 HB3 ALA 59 -5.012 8.259 8.259 454 2HB ALA 59 HB2 ALA 59 -4.839 7.524 7.524 455 3HB ALA 59 HB1 ALA 59 -4.697 6.529 6.529 456 H LEU 60 HN LEU 60 -6.576 9.255 9.255 457 HA LEU 60 HA LEU 60 -7.109 8.335 8.335 458 1HB LEU 60 HB2 LEU 60 -5.957 10.436 10.436 459 2HB LEU 60 HB1 LEU 60 -7.410 11.096 11.096 460 HG LEU 60 HG LEU 60 -7.365 10.209 10.209 461 1HD1 LEU 60 HD11 LEU 60 -6.109 12.572 12.572 462 2HD1 LEU 60 HD13 LEU 60 -7.158 12.898 12.898 463 3HD1 LEU 60 HD12 LEU 60 -5.799 11.786 11.786 464 1HD2 LEU 60 HD23 LEU 60 -9.197 11.677 11.677 465 2HD2 LEU 60 HD22 LEU 60 -9.548 10.619 10.619 466 3HD2 LEU 60 HD21 LEU 60 -9.052 12.287 12.287 467 H GLU 61 HN GLU 61 -9.202 9.405 9.405 468 HA GLU 61 HA GLU 61 -11.528 9.895 9.895 469 1HB GLU 61 HB1 GLU 61 -10.917 9.316 9.316 470 2HB GLU 61 HB2 GLU 61 -12.582 9.108 9.108 471 1HG GLU 61 HG2 GLU 61 -12.205 11.499 11.499 472 2HG GLU 61 HG1 GLU 61 -10.951 11.582 11.582 473 H LEU 62 HN LEU 62 -11.052 7.066 7.066 474 HA LEU 62 HA LEU 62 -13.081 5.554 5.554 475 1HB LEU 62 HB2 LEU 62 -12.674 4.056 4.056 476 2HB LEU 62 HB1 LEU 62 -11.638 5.307 5.307 477 HG LEU 62 HG LEU 62 -9.734 4.213 4.213 478 1HD1 LEU 62 HD21 LEU 62 -11.958 2.423 2.423 479 2HD1 LEU 62 HD23 LEU 62 -10.500 1.605 1.605 480 3HD1 LEU 62 HD22 LEU 62 -10.426 2.686 2.686 481 1HD2 LEU 62 HD11 LEU 62 -10.679 3.833 3.833 482 2HD2 LEU 62 HD13 LEU 62 -9.156 3.194 3.194 483 3HD2 LEU 62 HD12 LEU 62 -10.600 2.180 2.180 484 H LEU 63 HN LEU 63 -9.625 5.764 5.764 485 HA LEU 63 HA LEU 63 -9.378 3.535 3.535 486 1HB LEU 63 HB2 LEU 63 -7.486 4.768 4.768 487 2HB LEU 63 HB1 LEU 63 -7.787 6.100 6.100 488 HG LEU 63 HG LEU 63 -7.406 4.386 4.386 489 1HD1 LEU 63 HD13 LEU 63 -7.325 2.613 2.613 490 2HD1 LEU 63 HD12 LEU 63 -5.619 2.864 2.864 491 3HD1 LEU 63 HD11 LEU 63 -6.722 2.313 2.313 492 1HD2 LEU 63 HD21 LEU 63 -5.701 6.080 6.080 493 2HD2 LEU 63 HD23 LEU 63 -5.461 5.435 5.435 494 3HD2 LEU 63 HD22 LEU 63 -4.801 4.580 4.580 495 H LYS 64 HN LYS 64 -10.285 6.884 6.884 496 HA LYS 64 HA LYS 64 -10.202 6.790 6.790 497 1HB LYS 64 HB2 LYS 64 -11.291 8.571 8.571 498 2HB LYS 64 HB1 LYS 64 -12.180 8.601 8.601 499 1HG LYS 64 HG1 LYS 64 -9.977 8.992 8.992 500 2HG LYS 64 HG2 LYS 64 -9.277 9.230 9.230 501 1HD LYS 64 HD2 LYS 64 -9.799 11.392 11.392 502 2HD LYS 64 HD1 LYS 64 -11.357 10.887 10.887 503 1HE LYS 64 HE2 LYS 64 -12.165 11.753 11.753 504 2HE LYS 64 HE1 LYS 64 -11.677 10.200 10.200 505 1HZ LYS 64 HZ1 LYS 64 -9.894 12.566 12.566 506 2HZ LYS 64 HZ3 LYS 64 -10.924 12.218 12.218 507 3HZ LYS 64 HZ2 LYS 64 -9.694 11.134 11.134 508 H GLN 65 HN GLN 65 -12.896 6.298 6.298 509 HA GLN 65 HA GLN 65 -15.044 5.983 5.983 510 1HB GLN 65 HB1 GLN 65 -14.277 5.053 5.053 511 2HB GLN 65 HB2 GLN 65 -14.929 3.659 3.659 512 1HG GLN 65 HG2 GLN 65 -16.290 6.258 6.258 513 2HG GLN 65 HG1 GLN 65 -16.733 4.636 4.636 514 1HE2 GLN 65 HE22 GLN 65 -18.893 5.852 5.852 515 2HE2 GLN 65 HE21 GLN 65 -18.386 6.568 6.568 516 H GLY 66 HN GLY 66 -12.340 3.743 3.743 517 1HA GLY 66 HA2 GLY 66 -11.931 2.650 2.650 518 2HA GLY 66 HA1 GLY 66 -13.614 2.156 2.156 519 H ALA 67 HN ALA 67 -11.157 2.167 2.167 520 HA ALA 67 HA ALA 67 -11.678 -0.693 -0.693 521 1HB ALA 67 HB1 ALA 67 -11.033 1.547 1.547 522 2HB ALA 67 HB3 ALA 67 -10.191 0.043 0.043 523 3HB ALA 67 HB2 ALA 67 -11.953 0.075 0.075 524 H SER 68 HN SER 68 -10.273 -2.033 -2.033 525 HA SER 68 HA SER 68 -7.886 -1.429 -1.429 526 1HB SER 68 HB2 SER 68 -8.275 -4.061 -4.061 527 2HB SER 68 HB1 SER 68 -7.457 -3.744 -3.744 528 HG SER 68 HG SER 68 -9.856 -4.573 -4.573 529 HA PRO 69 HA PRO 69 -5.457 -0.267 -0.267 530 1HB PRO 69 HB2 PRO 69 -3.197 0.295 0.295 531 2HB PRO 69 HB1 PRO 69 -4.533 1.428 1.428 532 1HG PRO 69 HG1 PRO 69 -3.931 -0.368 -0.368 533 2HG PRO 69 HG2 PRO 69 -4.490 1.316 1.316 534 1HD PRO 69 HD1 PRO 69 -6.169 -0.738 -0.738 535 2HD PRO 69 HD2 PRO 69 -6.686 0.718 0.718 536 H ASN 70 HN ASN 70 -4.794 -2.688 -2.688 537 HA ASN 70 HA ASN 70 -2.668 -3.854 -3.854 538 1HB ASN 70 HB2 ASN 70 -3.549 -4.836 -4.836 539 2HB ASN 70 HB1 ASN 70 -2.013 -5.116 -5.116 540 1HD2 ASN 70 HD22 ASN 70 -0.758 -2.658 -2.658 541 2HD2 ASN 70 HD21 ASN 70 -0.833 -4.340 -4.340 542 H VAL 71 HN VAL 71 -4.111 -4.580 -4.580 543 HA VAL 71 HA VAL 71 -5.735 -6.911 -6.911 544 HB VAL 71 HB VAL 71 -7.179 -6.529 -6.529 545 1HG1 VAL 71 HG21 VAL 71 -6.935 -4.760 -4.760 546 2HG1 VAL 71 HG23 VAL 71 -7.115 -3.721 -3.721 547 3HG1 VAL 71 HG22 VAL 71 -8.333 -4.947 -4.947 548 1HG2 VAL 71 HG12 VAL 71 -5.014 -4.705 -4.705 549 2HG2 VAL 71 HG11 VAL 71 -6.001 -5.827 -5.827 550 3HG2 VAL 71 HG13 VAL 71 -6.670 -4.277 -4.277 551 H GLN 72 HN GLN 72 -5.504 -8.815 -8.815 552 HA GLN 72 HA GLN 72 -3.543 -8.893 -8.893 553 1HB GLN 72 HB2 GLN 72 -3.545 -10.954 -10.954 554 2HB GLN 72 HB1 GLN 72 -2.333 -10.696 -10.696 555 1HG GLN 72 HG2 GLN 72 -2.132 -8.341 -8.341 556 2HG GLN 72 HG1 GLN 72 -2.796 -9.221 -9.221 557 1HE2 GLN 72 HE22 GLN 72 0.085 -11.563 -11.563 558 2HE2 GLN 72 HE21 GLN 72 -1.617 -11.705 -11.705 559 H ASP 73 HN ASP 73 -3.635 -10.900 -10.900 560 HA ASP 73 HA ASP 73 -6.396 -11.757 -11.757 561 1HB ASP 73 HB1 ASP 73 -3.943 -11.807 -11.807 562 2HB ASP 73 HB2 ASP 73 -5.161 -13.042 -13.042 563 H ALA 74 HN ALA 74 -3.690 -13.827 -13.827 564 HA ALA 74 HA ALA 74 -4.572 -15.725 -15.725 565 1HB ALA 74 HB2 ALA 74 -4.223 -16.127 -16.127 566 2HB ALA 74 HB1 ALA 74 -3.722 -17.438 -17.438 567 3HB ALA 74 HB3 ALA 74 -5.384 -16.849 -16.849 568 H SER 75 HN SER 75 -2.161 -13.765 -13.765 569 HA SER 75 HA SER 75 -0.167 -15.466 -15.466 570 1HB SER 75 HB1 SER 75 0.279 -14.080 -14.080 571 2HB SER 75 HB2 SER 75 1.560 -14.794 -14.794 572 HG SER 75 HG SER 75 -0.047 -15.996 -15.996 573 H GLY 76 HN GLY 76 -0.109 -12.327 -12.327 574 1HA GLY 76 HA1 GLY 76 -0.252 -10.662 -10.662 575 2HA GLY 76 HA2 GLY 76 1.443 -11.087 -11.087 576 H THR 77 HN THR 77 -1.234 -10.168 -10.168 577 HA THR 77 HA THR 77 0.626 -8.318 -8.318 578 HB THR 77 HB THR 77 -1.955 -9.357 -9.357 579 HG1 THR 77 HG1 THR 77 -0.750 -10.968 -10.968 580 1HG2 THR 77 HG21 THR 77 0.172 -7.649 -7.649 581 2HG2 THR 77 HG23 THR 77 -0.095 -9.042 -9.042 582 3HG2 THR 77 HG22 THR 77 -1.430 -7.954 -7.954 583 H SER 78 HN SER 78 0.079 -6.872 -6.872 584 HA SER 78 HA SER 78 -2.537 -5.782 -5.782 585 1HB SER 78 HB2 SER 78 -0.454 -3.964 -3.964 586 2HB SER 78 HB1 SER 78 -1.669 -4.813 -4.813 587 HG SER 78 HG SER 78 -0.231 -6.692 -6.692 588 HA PRO 79 HA PRO 79 -2.798 -2.582 -2.582 589 1HB PRO 79 HB1 PRO 79 -3.163 -0.295 -0.295 590 2HB PRO 79 HB2 PRO 79 -4.439 -1.452 -1.452 591 1HG PRO 79 HG1 PRO 79 -2.820 -1.171 -1.171 592 2HG PRO 79 HG2 PRO 79 -4.544 -1.547 -1.547 593 1HD PRO 79 HD2 PRO 79 -2.729 -3.449 -3.449 594 2HD PRO 79 HD1 PRO 79 -4.137 -3.774 -3.774 595 H VAL 80 HN VAL 80 -0.631 -1.922 -1.922 596 HA VAL 80 HA VAL 80 0.812 0.206 0.206 597 HB VAL 80 HB VAL 80 2.595 -0.457 -0.457 598 1HG1 VAL 80 HG22 VAL 80 0.485 0.621 0.621 599 2HG1 VAL 80 HG21 VAL 80 -0.042 -0.983 -0.983 600 3HG1 VAL 80 HG23 VAL 80 1.407 -0.266 -0.266 601 1HG2 VAL 80 HG12 VAL 80 1.086 -3.041 -3.041 602 2HG2 VAL 80 HG11 VAL 80 2.790 -2.775 -2.775 603 3HG2 VAL 80 HG13 VAL 80 2.195 -2.552 -2.552 604 H HIS 81 HN HIS 81 1.274 -3.285 -3.285 605 HA HIS 81 HA HIS 81 3.699 -3.289 -3.289 606 1HB HIS 81 HB1 HIS 81 1.335 -5.102 -5.102 607 2HB HIS 81 HB2 HIS 81 2.538 -5.353 -5.353 608 HD2 HIS 81 HD2 HIS 81 5.231 -5.723 -5.723 609 HE1 HIS 81 HE1 HIS 81 3.625 -7.352 -7.352 610 HE2 HIS 81 HE2 HIS 81 5.673 -7.222 -7.222 611 H ASP 82 HN ASP 82 0.549 -3.614 -3.614 612 HA ASP 82 HA ASP 82 1.466 -3.123 -3.123 613 1HB ASP 82 HB2 ASP 82 -1.253 -2.203 -2.203 614 2HB ASP 82 HB1 ASP 82 -0.860 -3.917 -3.917 615 H ALA 83 HN ALA 83 0.808 -0.906 -0.906 616 HA ALA 83 HA ALA 83 0.592 1.460 1.460 617 1HB ALA 83 HB3 ALA 83 0.022 0.945 0.945 618 2HB ALA 83 HB2 ALA 83 1.645 1.589 1.589 619 3HB ALA 83 HB1 ALA 83 0.414 2.574 2.574 620 H ALA 84 HN ALA 84 3.231 -0.526 -0.526 621 HA ALA 84 HA ALA 84 5.277 1.466 1.466 622 1HB ALA 84 HB1 ALA 84 5.451 -1.512 -1.512 623 2HB ALA 84 HB3 ALA 84 6.825 -0.439 -0.439 624 3HB ALA 84 HB2 ALA 84 5.624 -0.667 -0.667 625 H ARG 85 HN ARG 85 4.618 -1.105 -1.105 626 HA ARG 85 HA ARG 85 6.251 0.001 0.001 627 1HB ARG 85 HB2 ARG 85 3.872 -1.792 -1.792 628 2HB ARG 85 HB1 ARG 85 5.311 -1.632 -1.632 629 1HG ARG 85 HG2 ARG 85 6.659 -2.714 -2.714 630 2HG ARG 85 HG1 ARG 85 5.339 -2.695 -2.695 631 1HD ARG 85 HD1 ARG 85 5.437 -4.235 -4.235 632 2HD ARG 85 HD2 ARG 85 5.540 -4.902 -4.902 633 HE ARG 85 HE ARG 85 3.143 -3.450 -3.450 634 1HH1 ARG 85 HH11 ARG 85 4.653 -6.395 -6.395 635 2HH1 ARG 85 HH12 ARG 85 3.157 -7.246 -7.246 636 1HH2 ARG 85 HH21 ARG 85 1.165 -4.559 -4.559 637 2HH2 ARG 85 HH22 ARG 85 1.172 -6.202 -6.202 638 H THR 86 HN THR 86 2.924 0.561 0.561 639 HA THR 86 HA THR 86 2.091 1.789 1.789 640 HB THR 86 HB THR 86 0.225 2.685 2.685 641 HG1 THR 86 HG1 THR 86 1.561 2.949 2.949 642 1HG2 THR 86 HG22 THR 86 0.956 -0.191 -0.191 643 2HG2 THR 86 HG21 THR 86 -0.437 0.395 0.395 644 3HG2 THR 86 HG23 THR 86 -0.382 0.595 0.595 645 H GLY 87 HN GLY 87 4.344 2.795 2.795 646 1HA GLY 87 HA2 GLY 87 5.286 4.833 4.833 647 2HA GLY 87 HA1 GLY 87 4.955 5.199 5.199 648 H PHE 88 HN PHE 88 3.444 5.179 5.179 649 HA PHE 88 HA PHE 88 2.177 7.728 7.728 650 1HB PHE 88 HB2 PHE 88 0.738 5.172 5.172 651 2HB PHE 88 HB1 PHE 88 0.079 6.641 6.641 652 HD1 PHE 88 HD1 PHE 88 0.219 8.698 8.698 653 HD2 PHE 88 HD2 PHE 88 -0.300 4.543 4.543 654 HE1 PHE 88 HE1 PHE 88 -0.867 9.251 9.251 655 HE2 PHE 88 HE2 PHE 88 -1.386 5.088 5.088 656 HZ PHE 88 HZ PHE 88 -1.665 7.450 7.450 657 H LEU 89 HN LEU 89 4.283 7.630 7.630 658 HA LEU 89 HA LEU 89 4.055 6.973 6.973 659 1HB LEU 89 HB2 LEU 89 6.138 7.714 7.714 660 2HB LEU 89 HB1 LEU 89 5.493 9.336 9.336 661 HG LEU 89 HG LEU 89 5.260 9.235 9.235 662 1HD1 LEU 89 HD22 LEU 89 5.848 6.768 6.768 663 2HD1 LEU 89 HD21 LEU 89 7.506 7.269 7.269 664 3HD1 LEU 89 HD23 LEU 89 6.708 7.785 7.785 665 1HD2 LEU 89 HD12 LEU 89 7.006 10.415 10.415 666 2HD2 LEU 89 HD11 LEU 89 7.119 10.518 10.518 667 3HD2 LEU 89 HD13 LEU 89 8.110 9.356 9.356 668 H ASP 90 HN ASP 90 2.450 9.474 9.474 669 HA ASP 90 HA ASP 90 1.963 11.317 11.317 670 1HB ASP 90 HB2 ASP 90 -0.111 11.877 11.877 671 2HB ASP 90 HB1 ASP 90 0.375 10.580 10.580 672 H THR 91 HN THR 91 -0.510 9.125 9.125 673 HA THR 91 HA THR 91 -2.001 9.181 9.181 674 HB THR 91 HB THR 91 -2.325 7.291 7.291 675 HG1 THR 91 HG1 THR 91 -2.389 9.701 9.701 676 1HG2 THR 91 HG22 THR 91 -3.597 6.945 6.945 677 2HG2 THR 91 HG21 THR 91 -4.559 8.314 8.314 678 3HG2 THR 91 HG23 THR 91 -4.460 6.850 6.850 679 H LEU 92 HN LEU 92 0.415 7.119 7.119 680 HA LEU 92 HA LEU 92 -0.021 4.776 4.776 681 1HB LEU 92 HB2 LEU 92 1.454 4.655 4.655 682 2HB LEU 92 HB1 LEU 92 2.432 5.983 5.983 683 HG LEU 92 HG LEU 92 2.254 3.366 3.366 684 1HD1 LEU 92 HD12 LEU 92 2.998 2.953 2.953 685 2HD1 LEU 92 HD11 LEU 92 4.302 4.117 4.117 686 3HD1 LEU 92 HD13 LEU 92 4.254 2.635 2.635 687 1HD2 LEU 92 HD22 LEU 92 3.831 5.854 5.854 688 2HD2 LEU 92 HD21 LEU 92 3.290 4.747 4.747 689 3HD2 LEU 92 HD23 LEU 92 4.699 4.344 4.344 690 H LYS 93 HN LYS 93 2.420 7.306 7.306 691 HA LYS 93 HA LYS 93 3.270 6.406 6.406 692 1HB LYS 93 HB1 LYS 93 4.391 8.399 8.399 693 2HB LYS 93 HB2 LYS 93 4.080 8.393 8.393 694 1HG LYS 93 HG1 LYS 93 1.921 9.698 9.698 695 2HG LYS 93 HG2 LYS 93 2.849 10.052 10.052 696 1HD LYS 93 HD2 LYS 93 3.606 10.680 10.680 697 2HD LYS 93 HD1 LYS 93 3.209 11.827 11.827 698 1HE LYS 93 HE1 LYS 93 5.436 9.935 9.935 699 2HE LYS 93 HE2 LYS 93 5.718 11.231 11.231 700 1HZ LYS 93 HZ2 LYS 93 4.672 12.652 12.652 701 2HZ LYS 93 HZ1 LYS 93 5.262 11.386 11.386 702 3HZ LYS 93 HZ3 LYS 93 6.320 12.275 12.275 703 H VAL 94 HN VAL 94 0.370 8.172 8.172 704 HA VAL 94 HA VAL 94 -0.321 9.097 9.097 705 HB VAL 94 HB VAL 94 -1.971 8.406 8.406 706 1HG1 VAL 94 HG22 VAL 94 -2.932 9.139 9.139 707 2HG1 VAL 94 HG21 VAL 94 -3.841 9.623 9.623 708 3HG1 VAL 94 HG23 VAL 94 -3.548 7.914 7.914 709 1HG2 VAL 94 HG12 VAL 94 -0.489 10.627 10.627 710 2HG2 VAL 94 HG11 VAL 94 -1.730 10.555 10.555 711 3HG2 VAL 94 HG13 VAL 94 -2.151 11.086 11.086 712 H LEU 95 HN LEU 95 -1.694 6.277 6.277 713 HA LEU 95 HA LEU 95 -2.758 5.153 5.153 714 1HB LEU 95 HB1 LEU 95 -3.418 3.297 3.297 715 2HB LEU 95 HB2 LEU 95 -3.691 4.764 4.764 716 HG LEU 95 HG LEU 95 -1.182 4.080 4.080 717 1HD1 LEU 95 HD22 LEU 95 -1.250 1.980 1.980 718 2HD1 LEU 95 HD21 LEU 95 -2.711 1.511 1.511 719 3HD1 LEU 95 HD23 LEU 95 -1.188 1.697 1.697 720 1HD2 LEU 95 HD13 LEU 95 -3.695 4.382 4.382 721 2HD2 LEU 95 HD12 LEU 95 -2.194 4.115 4.115 722 3HD2 LEU 95 HD11 LEU 95 -3.228 2.747 2.747 723 H VAL 96 HN VAL 96 0.239 4.949 4.949 724 HA VAL 96 HA VAL 96 1.187 2.533 2.533 725 HB VAL 96 HB VAL 96 2.479 4.753 4.753 726 1HG1 VAL 96 HG22 VAL 96 3.835 2.727 2.727 727 2HG1 VAL 96 HG21 VAL 96 4.528 3.075 3.075 728 3HG1 VAL 96 HG23 VAL 96 4.321 4.373 4.373 729 1HG2 VAL 96 HG12 VAL 96 1.998 1.820 1.820 730 2HG2 VAL 96 HG11 VAL 96 1.338 3.181 3.181 731 3HG2 VAL 96 HG13 VAL 96 3.051 2.782 2.782 732 H GLU 97 HN GLU 97 2.038 5.953 5.953 733 HA GLU 97 HA GLU 97 3.766 5.657 5.657 734 1HB GLU 97 HB2 GLU 97 3.434 7.974 7.974 735 2HB GLU 97 HB1 GLU 97 3.276 7.770 7.770 736 1HG GLU 97 HG2 GLU 97 0.891 7.800 7.800 737 2HG GLU 97 HG1 GLU 97 1.602 9.282 9.282 738 H HIS 98 HN HIS 98 0.254 5.715 5.715 739 HA HIS 98 HA HIS 98 -0.147 6.002 6.002 740 1HB HIS 98 HB1 HIS 98 -1.758 5.637 5.637 741 2HB HIS 98 HB2 HIS 98 -2.139 4.285 4.285 742 HD2 HIS 98 HD2 HIS 98 -4.173 4.891 4.891 743 HE1 HIS 98 HE1 HIS 98 -3.404 9.039 9.039 744 HE2 HIS 98 HE2 HIS 98 -4.834 7.109 7.109 745 H GLY 99 HN GLY 99 0.645 3.217 3.217 746 1HA GLY 99 HA2 GLY 99 1.906 1.457 1.457 747 2HA GLY 99 HA1 GLY 99 0.717 1.594 1.594 748 H ALA 100 HN ALA 100 0.756 1.060 1.060 749 HA ALA 100 HA ALA 100 -1.479 -0.801 -0.801 750 1HB ALA 100 HB1 ALA 100 -0.319 0.713 0.713 751 2HB ALA 100 HB3 ALA 100 -1.274 -0.737 -0.737 752 3HB ALA 100 HB2 ALA 100 -1.989 0.623 0.623 753 H ASP 101 HN ASP 101 0.880 -1.759 -1.759 754 HA ASP 101 HA ASP 101 2.320 -3.523 -3.523 755 1HB ASP 101 HB2 ASP 101 1.250 -5.215 -5.215 756 2HB ASP 101 HB1 ASP 101 -0.126 -4.367 -4.367 757 H VAL 102 HN VAL 102 3.565 -1.670 -1.670 758 HA VAL 102 HA VAL 102 4.090 -2.071 -2.071 759 HB VAL 102 HB VAL 102 6.130 -0.628 -0.628 760 1HG1 VAL 102 HG13 VAL 102 3.443 0.000 0.000 761 2HG1 VAL 102 HG12 VAL 102 3.990 1.013 1.013 762 3HG1 VAL 102 HG11 VAL 102 4.811 1.092 1.092 763 1HG2 VAL 102 HG21 VAL 102 6.243 -1.309 -1.309 764 2HG2 VAL 102 HG23 VAL 102 6.351 0.426 0.426 765 3HG2 VAL 102 HG22 VAL 102 4.841 -0.277 -0.277 766 H ASN 103 HN ASN 103 5.003 -3.801 -3.801 767 HA ASN 103 HA ASN 103 7.443 -4.820 -4.820 768 1HB ASN 103 HB2 ASN 103 6.553 -4.542 -4.542 769 2HB ASN 103 HB1 ASN 103 7.482 -5.989 -5.989 770 1HD2 ASN 103 HD22 ASN 103 9.710 -3.173 -3.173 771 2HD2 ASN 103 HD21 ASN 103 8.297 -3.893 -3.893 772 H ALA 104 HN ALA 104 5.039 -5.603 -5.603 773 HA ALA 104 HA ALA 104 4.630 -8.341 -8.341 774 1HB ALA 104 HB3 ALA 104 2.897 -6.377 -6.377 775 2HB ALA 104 HB2 ALA 104 2.684 -8.066 -8.066 776 3HB ALA 104 HB1 ALA 104 2.504 -7.581 -7.581 777 H LEU 105 HN LEU 105 4.147 -9.963 -9.963 778 HA LEU 105 HA LEU 105 5.601 -9.479 -9.479 779 1HB LEU 105 HB2 LEU 105 6.251 -11.828 -11.828 780 2HB LEU 105 HB1 LEU 105 6.985 -11.450 -11.450 781 HG LEU 105 HG LEU 105 7.252 -9.811 -9.811 782 1HD1 LEU 105 HD13 LEU 105 8.497 -12.158 -12.158 783 2HD1 LEU 105 HD12 LEU 105 9.620 -10.994 -10.994 784 3HD1 LEU 105 HD11 LEU 105 9.175 -10.874 -10.874 785 1HD2 LEU 105 HD21 LEU 105 7.509 -9.011 -9.011 786 2HD2 LEU 105 HD23 LEU 105 8.051 -8.147 -8.147 787 3HD2 LEU 105 HD22 LEU 105 9.155 -9.234 -9.234 788 H ASP 106 HN ASP 106 4.719 -10.526 -10.526 789 HA ASP 106 HA ASP 106 2.297 -12.013 -12.013 790 1HB ASP 106 HB2 ASP 106 3.650 -11.128 -11.128 791 2HB ASP 106 HB1 ASP 106 2.279 -10.355 -10.355 792 H SER 107 HN SER 107 4.349 -13.452 -13.452 793 HA SER 107 HA SER 107 4.965 -15.662 -15.662 794 1HB SER 107 HB1 SER 107 2.926 -15.793 -15.793 795 2HB SER 107 HB2 SER 107 4.263 -16.225 -16.225 796 HG SER 107 HG SER 107 3.177 -17.984 -17.984 797 H THR 108 HN THR 108 5.500 -14.253 -14.253 798 HA THR 108 HA THR 108 7.833 -15.521 -15.521 799 HB THR 108 HB THR 108 8.389 -13.287 -13.287 800 HG1 THR 108 HG1 THR 108 6.845 -11.755 -11.755 801 1HG2 THR 108 HG21 THR 108 6.058 -15.042 -15.042 802 2HG2 THR 108 HG23 THR 108 6.167 -13.539 -13.539 803 3HG2 THR 108 HG22 THR 108 7.473 -14.721 -14.721 804 H GLY 109 HN GLY 109 7.413 -12.771 -12.771 805 1HA GLY 109 HA2 GLY 109 8.887 -12.455 -12.455 806 2HA GLY 109 HA1 GLY 109 10.175 -13.190 -13.190 807 H SER 110 HN SER 110 8.587 -11.189 -11.189 808 HA SER 110 HA SER 110 10.693 -9.232 -9.232 809 1HB SER 110 HB1 SER 110 9.603 -8.278 -8.278 810 2HB SER 110 HB2 SER 110 9.794 -10.024 -10.024 811 HG SER 110 HG SER 110 7.649 -8.944 -8.944 812 H LEU 111 HN LEU 111 10.568 -7.903 -7.903 813 HA LEU 111 HA LEU 111 8.262 -6.950 -6.950 814 1HB LEU 111 HB2 LEU 111 11.097 -6.016 -6.016 815 2HB LEU 111 HB1 LEU 111 9.892 -4.976 -4.976 816 HG LEU 111 HG LEU 111 10.093 -7.819 -7.819 817 1HD1 LEU 111 HD13 LEU 111 12.010 -5.606 -5.606 818 2HD1 LEU 111 HD12 LEU 111 11.696 -6.926 -6.926 819 3HD1 LEU 111 HD11 LEU 111 12.359 -7.268 -7.268 820 1HD2 LEU 111 HD23 LEU 111 8.291 -6.190 -6.190 821 2HD2 LEU 111 HD22 LEU 111 9.185 -6.990 -6.990 822 3HD2 LEU 111 HD21 LEU 111 9.559 -5.321 -5.321 823 HA PRO 112 HA PRO 112 6.316 -3.968 -3.968 824 1HB PRO 112 HB2 PRO 112 6.589 -2.134 -2.134 825 2HB PRO 112 HB1 PRO 112 5.163 -2.504 -2.504 826 1HG PRO 112 HG1 PRO 112 5.462 -3.588 -3.588 827 2HG PRO 112 HG2 PRO 112 4.798 -4.537 -4.537 828 1HD PRO 112 HD2 PRO 112 7.502 -4.651 -4.651 829 2HD PRO 112 HD1 PRO 112 6.531 -5.951 -5.951 830 H ILE 113 HN ILE 113 9.189 -3.075 -3.075 831 HA ILE 113 HA ILE 113 9.742 -0.703 -0.703 832 HB ILE 113 HB ILE 113 10.621 -1.072 -1.072 833 1HG1 ILE 113 HG11 ILE 113 11.738 0.352 0.352 834 2HG1 ILE 113 HG12 ILE 113 12.551 0.141 0.141 835 1HG2 ILE 113 HG21 ILE 113 11.753 -3.439 -3.439 836 2HG2 ILE 113 HG23 ILE 113 12.905 -2.543 -2.543 837 3HG2 ILE 113 HG22 ILE 113 11.400 -3.127 -3.127 838 1HD1 ILE 113 HD11 ILE 113 13.139 -1.838 -1.838 839 2HD1 ILE 113 HD13 ILE 113 13.783 -0.209 -0.209 840 3HD1 ILE 113 HD12 ILE 113 14.188 -1.149 -1.149 841 H HIS 114 HN HIS 114 10.498 -4.088 -4.088 842 HA HIS 114 HA HIS 114 12.659 -3.862 -3.862 843 1HB HIS 114 HB2 HIS 114 10.639 -6.015 -6.015 844 2HB HIS 114 HB1 HIS 114 11.794 -6.192 -6.192 845 HD2 HIS 114 HD2 HIS 114 14.335 -6.874 -6.874 846 HE1 HIS 114 HE1 HIS 114 13.655 -6.806 -6.806 847 HE2 HIS 114 HE2 HIS 114 15.364 -7.234 -7.234 848 H LEU 115 HN LEU 115 9.208 -3.629 -3.629 849 HA LEU 115 HA LEU 115 9.162 -3.937 -3.937 850 1HB LEU 115 HB1 LEU 115 7.186 -2.141 -2.141 851 2HB LEU 115 HB2 LEU 115 6.940 -3.429 -3.429 852 HG LEU 115 HG LEU 115 7.234 -3.638 -3.638 853 1HD1 LEU 115 HD11 LEU 115 5.112 -3.954 -3.954 854 2HD1 LEU 115 HD13 LEU 115 5.218 -5.282 -5.282 855 3HD1 LEU 115 HD12 LEU 115 5.012 -3.627 -3.627 856 1HD2 LEU 115 HD23 LEU 115 8.134 -5.534 -5.534 857 2HD2 LEU 115 HD22 LEU 115 8.436 -5.496 -5.496 858 3HD2 LEU 115 HD21 LEU 115 6.951 -6.217 -6.217 859 H ALA 116 HN ALA 116 9.010 -0.981 -0.981 860 HA ALA 116 HA ALA 116 9.133 0.872 0.872 861 1HB ALA 116 HB2 ALA 116 8.885 1.149 1.149 862 2HB ALA 116 HB1 ALA 116 10.624 1.429 1.429 863 3HB ALA 116 HB3 ALA 116 9.518 2.461 2.461 864 H ILE 117 HN ILE 117 11.706 -0.917 -0.917 865 HA ILE 117 HA ILE 117 13.919 0.425 0.425 866 HB ILE 117 HB ILE 117 13.574 -2.466 -2.466 867 1HG1 ILE 117 HG11 ILE 117 14.964 -0.150 -0.150 868 2HG1 ILE 117 HG12 ILE 117 13.376 -0.779 -0.779 869 1HG2 ILE 117 HG21 ILE 117 15.694 -1.271 -1.271 870 2HG2 ILE 117 HG23 ILE 117 16.294 -1.759 -1.759 871 3HG2 ILE 117 HG22 ILE 117 15.513 -2.941 -2.941 872 1HD1 ILE 117 HD13 ILE 117 15.836 -2.490 -2.490 873 2HD1 ILE 117 HD12 ILE 117 15.330 -1.515 -1.515 874 3HD1 ILE 117 HD11 ILE 117 14.275 -2.787 -2.787 875 H ARG 118 HN ARG 118 12.013 -2.275 -2.275 876 HA ARG 118 HA ARG 118 13.597 -2.717 -2.717 877 1HB ARG 118 HB1 ARG 118 10.639 -3.212 -3.212 878 2HB ARG 118 HB2 ARG 118 11.916 -4.169 -4.169 879 1HG ARG 118 HG1 ARG 118 12.583 -4.351 -4.351 880 2HG ARG 118 HG2 ARG 118 10.822 -4.255 -4.255 881 1HD ARG 118 HD1 ARG 118 11.645 -6.576 -6.576 882 2HD ARG 118 HD2 ARG 118 10.593 -6.129 -6.129 883 HE ARG 118 HE ARG 118 13.402 -5.778 -5.778 884 1HH1 ARG 118 HH21 ARG 118 10.706 -7.978 -7.978 885 2HH1 ARG 118 HH22 ARG 118 11.397 -8.986 -8.986 886 1HH2 ARG 118 HH11 ARG 118 14.327 -7.100 -7.100 887 2HH2 ARG 118 HH12 ARG 118 13.458 -8.487 -8.487 888 H GLU 119 HN GLU 119 11.512 -0.194 -0.194 889 HA GLU 119 HA GLU 119 10.943 0.559 0.559 890 1HB GLU 119 HB1 GLU 119 10.093 1.769 1.769 891 2HB GLU 119 HB2 GLU 119 9.644 2.416 2.416 892 1HG GLU 119 HG2 GLU 119 7.813 1.159 1.159 893 2HG GLU 119 HG1 GLU 119 8.854 -0.142 -0.142 894 H GLY 120 HN GLY 120 12.363 2.092 2.092 895 1HA GLY 120 HA1 GLY 120 14.417 3.266 3.266 896 2HA GLY 120 HA2 GLY 120 14.335 3.385 3.385 897 H HIS 121 HN HIS 121 11.539 4.121 4.121 898 HA HIS 121 HA HIS 121 11.137 6.637 6.637 899 1HB HIS 121 HB2 HIS 121 10.180 5.679 5.679 900 2HB HIS 121 HB1 HIS 121 9.457 6.955 6.955 901 HD2 HIS 121 HD2 HIS 121 8.802 3.416 3.416 902 HE1 HIS 121 HE1 HIS 121 7.366 3.986 3.986 903 HE2 HIS 121 HE2 HIS 121 7.213 2.549 2.549 904 H SER 122 HN SER 122 10.620 8.253 8.253 905 HA SER 122 HA SER 122 13.377 9.096 9.096 906 1HB SER 122 HB2 SER 122 10.757 10.594 10.594 907 2HB SER 122 HB1 SER 122 12.273 11.270 11.270 908 HG SER 122 HG SER 122 12.401 11.900 11.900 909 H SER 123 HN SER 123 10.741 10.179 10.179 910 HA SER 123 HA SER 123 12.114 9.399 9.399 911 1HB SER 123 HB1 SER 123 10.838 11.432 11.432 912 2HB SER 123 HB2 SER 123 9.373 10.587 10.587 913 HG SER 123 HG SER 123 9.382 10.962 10.962 914 H VAL 124 HN VAL 124 9.820 7.869 7.869 915 HA VAL 124 HA VAL 124 8.410 6.278 6.278 916 HB VAL 124 HB VAL 124 9.125 4.833 4.833 917 1HG1 VAL 124 HG21 VAL 124 6.640 5.721 5.721 918 2HG1 VAL 124 HG23 VAL 124 6.568 4.996 4.996 919 3HG1 VAL 124 HG22 VAL 124 7.249 4.085 4.085 920 1HG2 VAL 124 HG12 VAL 124 7.838 7.548 7.548 921 2HG2 VAL 124 HG11 VAL 124 9.400 7.064 7.064 922 3HG2 VAL 124 HG13 VAL 124 7.920 6.329 6.329 923 H VAL 125 HN VAL 125 11.107 5.065 5.065 924 HA VAL 125 HA VAL 125 11.551 2.736 2.736 925 HB VAL 125 HB VAL 125 13.756 4.350 4.350 926 1HG1 VAL 125 HG12 VAL 125 13.391 1.485 1.485 927 2HG1 VAL 125 HG11 VAL 125 14.445 1.909 1.909 928 3HG1 VAL 125 HG13 VAL 125 14.773 2.548 2.548 929 1HG2 VAL 125 HG23 VAL 125 11.386 3.225 3.225 930 2HG2 VAL 125 HG22 VAL 125 12.654 4.206 4.206 931 3HG2 VAL 125 HG21 VAL 125 12.839 2.455 2.455 932 H SER 126 HN SER 126 13.049 5.918 5.918 933 HA SER 126 HA SER 126 14.697 5.116 5.116 934 1HB SER 126 HB1 SER 126 14.680 7.653 7.653 935 2HB SER 126 HB2 SER 126 15.351 7.110 7.110 936 HG SER 126 HG SER 126 13.604 8.907 8.907 937 H PHE 127 HN PHE 127 11.405 6.228 6.228 938 HA PHE 127 HA PHE 127 11.089 6.714 6.714 939 1HB PHE 127 HB1 PHE 127 9.607 7.828 7.828 940 2HB PHE 127 HB2 PHE 127 9.062 6.288 6.288 941 HD1 PHE 127 HD2 PHE 127 9.076 8.347 8.347 942 HD2 PHE 127 HD1 PHE 127 7.235 5.169 5.169 943 HE1 PHE 127 HE2 PHE 127 7.238 8.299 8.299 944 HE2 PHE 127 HE1 PHE 127 5.393 5.115 5.115 945 HZ PHE 127 HZ PHE 127 5.404 6.673 6.673 946 H LEU 128 HN LEU 128 10.301 4.020 4.020 947 HA LEU 128 HA LEU 128 9.014 2.422 2.422 948 1HB LEU 128 HB2 LEU 128 9.996 2.119 2.119 949 2HB LEU 128 HB1 LEU 128 10.097 0.643 0.643 950 HG LEU 128 HG LEU 128 7.953 1.188 1.188 951 1HD1 LEU 128 HD12 LEU 128 8.494 -0.634 -0.634 952 2HD1 LEU 128 HD11 LEU 128 7.336 0.299 0.299 953 3HD1 LEU 128 HD13 LEU 128 6.852 -0.397 -0.397 954 1HD2 LEU 128 HD21 LEU 128 7.912 3.344 3.344 955 2HD2 LEU 128 HD23 LEU 128 6.591 2.795 2.795 956 3HD2 LEU 128 HD22 LEU 128 6.695 2.238 2.238 957 H ALA 129 HN ALA 129 12.244 3.300 3.300 958 HA ALA 129 HA ALA 129 13.533 0.924 0.924 959 1HB ALA 129 HB2 ALA 129 14.270 3.734 3.734 960 2HB ALA 129 HB1 ALA 129 15.195 2.899 2.899 961 3HB ALA 129 HB3 ALA 129 15.153 2.261 2.261 962 HA PRO 130 HA PRO 130 13.539 2.925 2.925 963 1HB PRO 130 HB2 PRO 130 11.755 4.990 4.990 964 2HB PRO 130 HB1 PRO 130 13.471 5.208 5.208 965 1HG PRO 130 HG2 PRO 130 11.126 5.269 5.269 966 2HG PRO 130 HG1 PRO 130 12.544 6.332 6.332 967 1HD PRO 130 HD2 PRO 130 12.339 4.350 4.350 968 2HD PRO 130 HD1 PRO 130 13.899 4.779 4.779 969 H GLU 131 HN GLU 131 10.354 3.472 3.472 970 HA GLU 131 HA GLU 131 8.753 2.572 2.572 971 1HB GLU 131 HB1 GLU 131 8.260 2.206 2.206 972 2HB GLU 131 HB2 GLU 131 7.037 2.148 2.148 973 1HG GLU 131 HG2 GLU 131 6.936 4.384 4.384 974 2HG GLU 131 HG1 GLU 131 8.664 4.597 4.597 975 H SER 132 HN SER 132 10.729 0.750 0.750 976 HA SER 132 HA SER 132 9.563 -1.760 -1.760 977 1HB SER 132 HB2 SER 132 11.464 -1.572 -1.572 978 2HB SER 132 HB1 SER 132 10.292 -2.838 -2.838 979 HG SER 132 HG SER 132 9.502 -1.543 -1.543 980 H ASP 133 HN ASP 133 10.781 -3.197 -3.197 981 HA ASP 133 HA ASP 133 12.815 -2.559 -2.559 982 1HB ASP 133 HB2 ASP 133 13.531 -4.942 -4.942 983 2HB ASP 133 HB1 ASP 133 12.528 -5.198 -5.198 984 H LEU 134 HN LEU 134 14.493 -1.307 -1.307 985 HA LEU 134 HA LEU 134 15.845 -1.388 -1.388 986 1HB LEU 134 HB1 LEU 134 16.347 -0.203 -0.203 987 2HB LEU 134 HB2 LEU 134 17.695 -0.295 -0.295 988 HG LEU 134 HG LEU 134 15.093 1.168 1.168 989 1HD1 LEU 134 HD12 LEU 134 17.860 1.933 1.933 990 2HD1 LEU 134 HD11 LEU 134 16.998 2.985 2.985 991 3HD1 LEU 134 HD13 LEU 134 16.321 2.654 2.654 992 1HD2 LEU 134 HD21 LEU 134 17.355 0.649 0.649 993 2HD2 LEU 134 HD23 LEU 134 15.658 0.211 0.211 994 3HD2 LEU 134 HD22 LEU 134 16.140 1.906 1.906 995 H HIS 135 HN HIS 135 17.526 -2.550 -2.550 996 HA HIS 135 HA HIS 135 19.391 -3.911 -3.911 997 1HB HIS 135 HB1 HIS 135 19.481 -3.093 -3.093 998 2HB HIS 135 HB2 HIS 135 19.015 -4.769 -4.769 999 HD2 HIS 135 HD2 HIS 135 21.427 -4.193 -4.193 1000 HE1 HIS 135 HE1 HIS 135 23.655 -5.658 -5.658 1001 HE2 HIS 135 HE2 HIS 135 23.757 -4.943 -4.943 1002 H HIS 136 HN HIS 136 16.350 -4.568 -4.568 1003 HA HIS 136 HA HIS 136 16.071 -7.250 -7.250 1004 1HB HIS 136 HB2 HIS 136 14.086 -7.244 -7.244 1005 2HB HIS 136 HB1 HIS 136 14.093 -5.957 -5.957 1006 HD2 HIS 136 HD2 HIS 136 15.143 -6.275 -6.275 1007 HE1 HIS 136 HE1 HIS 136 13.582 -2.421 -2.421 1008 HE2 HIS 136 HE2 HIS 136 14.672 -3.910 -3.910 1009 H ARG 137 HN ARG 137 15.519 -9.040 -9.040 1010 HA ARG 137 HA ARG 137 17.419 -8.991 -8.991 1011 1HB ARG 137 HB1 ARG 137 16.867 -11.210 -11.210 1012 2HB ARG 137 HB2 ARG 137 17.676 -11.483 -11.483 1013 1HG ARG 137 HG1 ARG 137 19.312 -9.660 -9.660 1014 2HG ARG 137 HG2 ARG 137 18.630 -9.934 -9.934 1015 1HD ARG 137 HD2 ARG 137 19.415 -12.120 -12.120 1016 2HD ARG 137 HD1 ARG 137 19.606 -12.233 -12.233 1017 HE ARG 137 HE ARG 137 21.324 -10.263 -10.263 1018 1HH1 ARG 137 HH11 ARG 137 20.945 -13.681 -13.681 1019 2HH1 ARG 137 HH12 ARG 137 22.646 -14.007 -14.007 1020 1HH2 ARG 137 HH21 ARG 137 23.566 -10.680 -10.680 1021 2HH2 ARG 137 HH22 ARG 137 24.136 -12.299 -12.299 1022 H ASP 138 HN ASP 138 16.928 -10.690 -10.690 1023 HA ASP 138 HA ASP 138 14.084 -11.354 -11.354 1024 1HB ASP 138 HB2 ASP 138 15.447 -9.335 -9.335 1025 2HB ASP 138 HB1 ASP 138 14.779 -10.604 -10.604 1026 H ALA 139 HN ALA 139 13.622 -13.136 -13.136 1027 HA ALA 139 HA ALA 139 15.290 -15.266 -15.266 1028 1HB ALA 139 HB3 ALA 139 12.811 -14.808 -14.808 1029 2HB ALA 139 HB2 ALA 139 13.746 -15.135 -15.135 1030 3HB ALA 139 HB1 ALA 139 13.700 -16.323 -16.323 1031 H SER 140 HN SER 140 15.377 -12.574 -12.574 1032 HA SER 140 HA SER 140 16.958 -13.605 -13.605 1033 1HB SER 140 HB2 SER 140 15.891 -11.101 -11.101 1034 2HB SER 140 HB1 SER 140 17.622 -10.858 -10.858 1035 HG SER 140 HG SER 140 16.835 -12.374 -12.374 1036 H GLY 141 HN GLY 141 17.782 -12.342 -12.342 1037 1HA GLY 141 HA2 GLY 141 19.725 -12.936 -12.936 1038 2HA GLY 141 HA1 GLY 141 20.485 -13.408 -13.408 1039 H LEU 142 HN LEU 142 18.896 -10.369 -10.369 1040 HA LEU 142 HA LEU 142 21.430 -8.974 -8.974 1041 1HB LEU 142 HB2 LEU 142 20.290 -7.280 -7.280 1042 2HB LEU 142 HB1 LEU 142 21.355 -8.575 -8.575 1043 HG LEU 142 HG LEU 142 18.857 -9.772 -9.772 1044 1HD1 LEU 142 HD13 LEU 142 18.556 -6.900 -6.900 1045 2HD1 LEU 142 HD12 LEU 142 17.926 -7.819 -7.819 1046 3HD1 LEU 142 HD11 LEU 142 17.336 -8.146 -8.146 1047 1HD2 LEU 142 HD22 LEU 142 20.716 -8.697 -8.697 1048 2HD2 LEU 142 HD21 LEU 142 20.195 -10.355 -10.355 1049 3HD2 LEU 142 HD23 LEU 142 19.116 -9.226 -9.226 1050 H THR 143 HN THR 143 21.206 -6.744 -6.744 1051 HA THR 143 HA THR 143 18.733 -6.342 -6.342 1052 HB THR 143 HB THR 143 19.959 -5.511 -5.511 1053 HG1 THR 143 HG1 THR 143 21.477 -4.017 -4.017 1054 1HG2 THR 143 HG23 THR 143 21.181 -7.669 -7.669 1055 2HG2 THR 143 HG22 THR 143 22.498 -6.505 -6.505 1056 3HG2 THR 143 HG21 THR 143 21.753 -6.798 -6.798 1057 HA PRO 144 HA PRO 144 17.355 -2.558 -2.558 1058 1HB PRO 144 HB2 PRO 144 18.621 -1.114 -1.114 1059 2HB PRO 144 HB1 PRO 144 17.013 -0.910 -0.910 1060 1HG PRO 144 HG2 PRO 144 17.373 -2.284 -2.284 1061 2HG PRO 144 HG1 PRO 144 16.161 -2.770 -2.770 1062 1HD PRO 144 HD1 PRO 144 18.734 -4.045 -4.045 1063 2HD PRO 144 HD2 PRO 144 17.285 -4.753 -4.753 1064 H LEU 145 HN LEU 145 20.533 -2.038 -2.038 1065 HA LEU 145 HA LEU 145 21.414 -0.070 -0.070 1066 1HB LEU 145 HB2 LEU 145 22.373 -1.154 -1.154 1067 2HB LEU 145 HB1 LEU 145 23.502 -1.795 -1.795 1068 HG LEU 145 HG LEU 145 22.875 1.145 1.145 1069 1HD1 LEU 145 HD13 LEU 145 24.087 -0.335 -0.335 1070 2HD1 LEU 145 HD12 LEU 145 25.420 0.404 0.404 1071 3HD1 LEU 145 HD11 LEU 145 24.139 1.414 1.414 1072 1HD2 LEU 145 HD23 LEU 145 24.279 -0.381 -0.381 1073 2HD2 LEU 145 HD22 LEU 145 24.358 1.371 1.371 1074 3HD2 LEU 145 HD21 LEU 145 25.527 0.336 0.336 1075 H GLU 146 HN GLU 146 21.877 -3.583 -3.583 1076 HA GLU 146 HA GLU 146 23.627 -3.822 -3.822 1077 1HB GLU 146 HB1 GLU 146 22.368 -5.572 -5.572 1078 2HB GLU 146 HB2 GLU 146 21.560 -5.909 -5.909 1079 1HG GLU 146 HG1 GLU 146 23.267 -7.345 -7.345 1080 2HG GLU 146 HG2 GLU 146 24.098 -5.906 -5.906 1081 H LEU 147 HN LEU 147 20.101 -4.382 -4.382 1082 HA LEU 147 HA LEU 147 19.865 -4.498 -4.498 1083 1HB LEU 147 HB2 LEU 147 18.122 -4.475 -4.475 1084 2HB LEU 147 HB1 LEU 147 17.608 -3.125 -3.125 1085 HG LEU 147 HG LEU 147 17.805 -6.016 -6.016 1086 1HD1 LEU 147 HD12 LEU 147 15.709 -4.389 -4.389 1087 2HD1 LEU 147 HD11 LEU 147 15.282 -4.926 -4.926 1088 3HD1 LEU 147 HD13 LEU 147 15.706 -6.110 -6.110 1089 1HD2 LEU 147 HD22 LEU 147 18.535 -4.498 -4.498 1090 2HD2 LEU 147 HD21 LEU 147 17.019 -5.318 -5.318 1091 3HD2 LEU 147 HD23 LEU 147 17.005 -3.631 -3.631 1092 H ALA 148 HN ALA 148 19.879 -1.683 -1.683 1093 HA ALA 148 HA ALA 148 19.236 0.206 0.206 1094 1HB ALA 148 HB2 ALA 148 20.619 0.591 0.591 1095 2HB ALA 148 HB1 ALA 148 20.004 1.887 1.887 1096 3HB ALA 148 HB3 ALA 148 18.888 0.723 0.723 1097 H ARG 149 HN ARG 149 22.164 -1.338 -1.338 1098 HA ARG 149 HA ARG 149 23.989 0.506 0.506 1099 1HB ARG 149 HB1 ARG 149 24.521 -1.199 -1.199 1100 2HB ARG 149 HB2 ARG 149 24.477 -2.424 -2.424 1101 1HG ARG 149 HG1 ARG 149 26.254 -1.115 -1.115 1102 2HG ARG 149 HG2 ARG 149 26.386 -0.118 -0.118 1103 1HD ARG 149 HD2 ARG 149 26.628 -2.453 -2.453 1104 2HD ARG 149 HD1 ARG 149 27.133 -2.971 -2.971 1105 HE ARG 149 HE ARG 149 28.473 -0.617 -0.617 1106 1HH1 ARG 149 HH11 ARG 149 28.504 -4.084 -4.084 1107 2HH1 ARG 149 HH12 ARG 149 30.213 -4.222 -4.222 1108 1HH2 ARG 149 HH21 ARG 149 30.726 -0.784 -0.784 1109 2HH2 ARG 149 HH22 ARG 149 31.477 -2.345 -2.345 1110 H GLN 150 HN GLN 150 22.853 -2.715 -2.715 1111 HA GLN 150 HA GLN 150 24.114 -2.732 -2.732 1112 1HB GLN 150 HB1 GLN 150 22.058 -4.306 -4.306 1113 2HB GLN 150 HB2 GLN 150 23.354 -4.826 -4.826 1114 1HG GLN 150 HG2 GLN 150 21.254 -3.408 -3.408 1115 2HG GLN 150 HG1 GLN 150 20.663 -4.841 -4.841 1116 1HE2 GLN 150 HE22 GLN 150 21.610 -6.784 -6.784 1117 2HE2 GLN 150 HE21 GLN 150 20.399 -6.297 -6.297 1118 H ARG 151 HN ARG 151 20.629 -2.283 -2.283 1119 HA ARG 151 HA ARG 151 20.246 -1.024 -1.024 1120 1HB ARG 151 HB1 ARG 151 18.562 -2.394 -2.394 1121 2HB ARG 151 HB2 ARG 151 18.291 -0.865 -0.865 1122 1HG ARG 151 HG2 ARG 151 17.040 -0.072 -0.072 1123 2HG ARG 151 HG1 ARG 151 18.169 -0.636 -0.636 1124 1HD ARG 151 HD1 ARG 151 17.258 -2.937 -2.937 1125 2HD ARG 151 HD2 ARG 151 16.033 -2.243 -2.243 1126 HE ARG 151 HE ARG 151 16.104 -0.984 -0.984 1127 1HH1 ARG 151 HH21 ARG 151 14.905 -3.734 -3.734 1128 2HH1 ARG 151 HH22 ARG 151 13.560 -3.993 -3.993 1129 1HH2 ARG 151 HH11 ARG 151 14.335 -1.313 -1.313 1130 2HH2 ARG 151 HH12 ARG 151 13.234 -2.616 -2.616 1131 H GLY 152 HN GLY 152 22.158 0.445 0.445 1132 1HA GLY 152 HA1 GLY 152 21.596 2.553 2.553 1133 2HA GLY 152 HA2 GLY 152 22.890 2.528 2.528 1134 H ALA 153 HN ALA 153 19.342 2.560 2.560 1135 HA ALA 153 HA ALA 153 18.944 3.927 3.927 1136 1HB ALA 153 HB2 ALA 153 17.501 3.961 3.961 1137 2HB ALA 153 HB1 ALA 153 17.032 5.137 5.137 1138 3HB ALA 153 HB3 ALA 153 16.958 3.413 3.413 1139 H GLN 154 HN GLN 154 20.180 5.211 5.211 1140 HA GLN 154 HA GLN 154 21.598 7.296 7.296 1141 1HB GLN 154 HB2 GLN 154 20.003 9.227 9.227 1142 2HB GLN 154 HB1 GLN 154 19.832 8.525 8.525 1143 1HG GLN 154 HG1 GLN 154 17.761 8.932 8.932 1144 2HG GLN 154 HG2 GLN 154 17.834 7.583 7.583 1145 1HE2 GLN 154 HE22 GLN 154 17.865 6.959 6.959 1146 2HE2 GLN 154 HE21 GLN 154 18.045 8.538 8.538 1147 H ASN 155 HN ASN 155 19.843 8.776 8.776 1148 HA ASN 155 HA ASN 155 21.942 8.247 8.247 1149 1HB ASN 155 HB1 ASN 155 20.332 9.630 9.630 1150 2HB ASN 155 HB2 ASN 155 21.185 10.423 10.423 1151 1HD2 ASN 155 HD22 ASN 155 18.328 11.368 11.368 1152 2HD2 ASN 155 HD21 ASN 155 20.053 11.364 11.364 1153 H LEU 156 HN LEU 156 19.780 6.148 6.148 1154 HA LEU 156 HA LEU 156 18.179 5.404 5.404 1155 1HB LEU 156 HB2 LEU 156 19.240 4.165 4.165 1156 2HB LEU 156 HB1 LEU 156 19.180 3.008 3.008 1157 HG LEU 156 HG LEU 156 16.877 4.573 4.573 1158 1HD1 LEU 156 HD11 LEU 156 17.850 2.418 2.418 1159 2HD1 LEU 156 HD13 LEU 156 17.055 1.604 1.604 1160 3HD1 LEU 156 HD12 LEU 156 16.106 2.571 2.571 1161 1HD2 LEU 156 HD23 LEU 156 17.172 3.849 3.849 1162 2HD2 LEU 156 HD22 LEU 156 15.664 4.245 4.245 1163 3HD2 LEU 156 HD21 LEU 156 16.183 2.565 2.565 1164 H MET 157 HN MET 157 21.324 3.862 3.862 1165 HA MET 157 HA MET 157 21.576 2.537 2.537 1166 1HB MET 157 HB2 MET 157 23.736 2.067 2.067 1167 2HB MET 157 HB1 MET 157 23.027 2.507 2.507 1168 1HG MET 157 HG2 MET 157 24.030 4.646 4.646 1169 2HG MET 157 HG1 MET 157 24.515 4.460 4.460 1170 1HE MET 157 HE2 MET 157 26.076 2.861 2.861 1171 2HE MET 157 HE1 MET 157 26.008 1.357 1.357 1172 3HE MET 157 HE3 MET 157 27.512 2.274 2.274 1173 H ASP 158 HN ASP 158 21.841 5.876 5.876 1174 HA ASP 158 HA ASP 158 23.479 6.607 6.607 1175 1HB ASP 158 HB1 ASP 158 22.363 7.906 7.906 1176 2HB ASP 158 HB2 ASP 158 21.791 8.771 8.771 1177 H ILE 159 HN ILE 159 20.021 7.290 7.290 1178 HA ILE 159 HA ILE 159 19.403 8.159 8.159 1179 HB ILE 159 HB ILE 159 17.326 6.516 6.516 1180 1HG1 ILE 159 HG11 ILE 159 17.099 8.883 8.883 1181 2HG1 ILE 159 HG12 ILE 159 18.839 8.639 8.639 1182 1HG2 ILE 159 HG22 ILE 159 17.541 9.089 9.089 1183 2HG2 ILE 159 HG21 ILE 159 16.148 8.793 8.793 1184 3HG2 ILE 159 HG23 ILE 159 16.492 7.704 7.704 1185 1HD1 ILE 159 HD11 ILE 159 18.299 6.281 6.281 1186 2HD1 ILE 159 HD13 ILE 159 16.691 6.923 6.923 1187 3HD1 ILE 159 HD12 ILE 159 18.104 7.631 7.631 1188 H LEU 160 HN LEU 160 19.899 4.929 4.929 1189 HA LEU 160 HA LEU 160 18.643 3.589 3.589 1190 1HB LEU 160 HB2 LEU 160 20.606 2.700 2.700 1191 2HB LEU 160 HB1 LEU 160 19.976 1.623 1.623 1192 HG LEU 160 HG LEU 160 18.884 1.930 1.930 1193 1HD1 LEU 160 HD12 LEU 160 18.117 0.800 0.800 1194 2HD1 LEU 160 HD11 LEU 160 16.700 1.346 1.346 1195 3HD1 LEU 160 HD13 LEU 160 17.821 0.200 0.200 1196 1HD2 LEU 160 HD21 LEU 160 18.269 4.263 4.263 1197 2HD2 LEU 160 HD23 LEU 160 16.864 3.240 3.240 1198 3HD2 LEU 160 HD22 LEU 160 17.269 3.732 3.732 1199 H GLN 161 HN GLN 161 21.957 4.551 4.551 1200 HA GLN 161 HA GLN 161 23.110 3.302 3.302 1201 1HB GLN 161 HB2 GLN 161 24.013 4.892 4.892 1202 2HB GLN 161 HB1 GLN 161 24.831 5.337 5.337 1203 1HG GLN 161 HG2 GLN 161 25.304 2.873 2.873 1204 2HG GLN 161 HG1 GLN 161 24.763 2.659 2.659 1205 1HE2 GLN 161 HE22 GLN 161 28.283 2.943 2.943 1206 2HE2 GLN 161 HE21 GLN 161 27.043 1.813 1.813 1207 H GLY 162 HN GLY 162 22.007 6.575 6.575 1208 1HA GLY 162 HA2 GLY 162 22.946 7.773 7.773 1209 2HA GLY 162 HA1 GLY 162 21.722 8.432 8.432 1210 H HIS 163 HN HIS 163 19.700 6.658 6.658 1211 HA HIS 163 HA HIS 163 18.463 7.277 7.277 1212 1HB HIS 163 HB2 HIS 163 17.772 5.412 5.412 1213 2HB HIS 163 HB1 HIS 163 16.778 5.481 5.481 1214 HD2 HIS 163 HD2 HIS 163 14.718 6.519 6.519 1215 HE1 HIS 163 HE1 HIS 163 16.601 10.286 10.286 1216 HE2 HIS 163 HE2 HIS 163 14.511 8.937 8.937 1217 H MET 164 HN MET 164 19.856 4.241 4.241 1218 HA MET 164 HA MET 164 19.287 2.794 2.794 1219 1HB MET 164 HB1 MET 164 19.471 1.490 1.490 1220 2HB MET 164 HB2 MET 164 21.000 2.233 2.233 1221 1HG MET 164 HG1 MET 164 22.209 0.869 0.869 1222 2HG MET 164 HG2 MET 164 20.974 0.809 0.809 1223 1HE MET 164 HE1 MET 164 21.540 -0.240 -0.240 1224 2HE MET 164 HE3 MET 164 20.341 -1.523 -1.523 1225 3HE MET 164 HE2 MET 164 19.822 0.139 0.139 1226 H MET 165 HN MET 165 20.186 3.630 3.630 1227 HA MET 165 HA MET 165 22.653 4.891 4.891 1228 1HB MET 165 HB2 MET 165 20.598 3.975 3.975 1229 2HB MET 165 HB1 MET 165 22.159 3.511 3.511 1230 1HG MET 165 HG2 MET 165 21.752 6.296 6.296 1231 2HG MET 165 HG1 MET 165 21.094 5.816 5.816 1232 1HE MET 165 HE3 MET 165 22.756 8.113 8.113 1233 2HE MET 165 HE2 MET 165 24.490 7.956 7.956 1234 3HE MET 165 HE1 MET 165 23.857 7.868 7.868 1235 H ILE 166 HN ILE 166 24.517 4.039 4.039 1236 HA ILE 166 HA ILE 166 25.491 1.630 1.630 1237 HB ILE 166 HB ILE 166 24.310 0.748 0.748 1238 1HG1 ILE 166 HG11 ILE 166 27.162 0.370 0.370 1239 2HG1 ILE 166 HG12 ILE 166 26.726 0.017 0.017 1240 1HG2 ILE 166 HG21 ILE 166 25.457 2.989 2.989 1241 2HG2 ILE 166 HG23 ILE 166 26.159 1.562 1.562 1242 3HG2 ILE 166 HG22 ILE 166 24.407 1.763 1.763 1243 1HD1 ILE 166 HD13 ILE 166 24.768 -1.212 -1.212 1244 2HD1 ILE 166 HD12 ILE 166 26.306 -1.546 -1.546 1245 3HD1 ILE 166 HD11 ILE 166 26.075 -1.984 -1.984 1246 HA PRO 167 HA PRO 167 28.473 5.217 5.217 1247 1HB PRO 167 HB2 PRO 167 29.159 4.421 4.421 1248 2HB PRO 167 HB1 PRO 167 29.031 6.033 6.033 1249 1HG PRO 167 HG1 PRO 167 27.120 5.106 5.106 1250 2HG PRO 167 HG2 PRO 167 26.715 6.068 6.068 1251 1HD PRO 167 HD2 PRO 167 26.500 3.119 3.119 1252 2HD PRO 167 HD1 PRO 167 25.428 4.211 4.211 1253 H MET 168 HN MET 168 30.543 4.909 4.909 1254 HA MET 168 HA MET 168 31.753 2.280 2.280 1255 1HB MET 168 HB1 MET 168 31.206 3.631 3.631 1256 2HB MET 168 HB2 MET 168 32.913 3.244 3.244 1257 1HG MET 168 HG2 MET 168 30.653 1.279 1.279 1258 2HG MET 168 HG1 MET 168 31.643 1.487 1.487 1259 1HE MET 168 HE1 MET 168 33.856 0.550 0.550 1260 2HE MET 168 HE3 MET 168 34.620 1.631 1.631 1261 3HE MET 168 HE2 MET 168 34.971 -0.097 -0.097 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 -22.843 -7.519 -7.519 2 2H GLY 1 HT3 GLY 1 -23.360 -7.279 -7.279 3 3H GLY 1 HT2 GLY 1 -23.891 -8.631 -8.631 4 1HA GLY 1 HA1 GLY 1 -25.721 -7.360 -7.360 5 2HA GLY 1 HA2 GLY 1 -24.806 -5.869 -5.869 6 H SER 2 HN SER 2 -23.276 -5.389 -5.389 7 HA SER 2 HA SER 2 -24.588 -6.110 -6.110 8 1HB SER 2 HB2 SER 2 -23.364 -3.548 -3.548 9 2HB SER 2 HB1 SER 2 -23.427 -3.889 -3.889 10 HG SER 2 HG SER 2 -25.294 -2.769 -2.769 11 H MET 3 HN MET 3 -23.400 -6.970 -6.970 12 HA MET 3 HA MET 3 -20.571 -6.650 -6.650 13 1HB MET 3 HB1 MET 3 -20.725 -8.311 -8.311 14 2HB MET 3 HB2 MET 3 -21.582 -9.396 -9.396 15 1HG MET 3 HG1 MET 3 -19.638 -10.221 -10.221 16 2HG MET 3 HG2 MET 3 -19.244 -8.658 -8.658 17 1HE MET 3 HE3 MET 3 -19.789 -9.970 -9.970 18 2HE MET 3 HE2 MET 3 -18.495 -11.088 -11.088 19 3HE MET 3 HE1 MET 3 -18.210 -9.829 -9.829 20 H LEU 4 HN LEU 4 -23.059 -9.080 -9.080 21 HA LEU 4 HA LEU 4 -22.361 -8.696 -8.696 22 1HB LEU 4 HB2 LEU 4 -21.703 -10.914 -10.914 23 2HB LEU 4 HB1 LEU 4 -23.415 -11.248 -11.248 24 HG LEU 4 HG LEU 4 -23.734 -11.419 -11.419 25 1HD1 LEU 4 HD12 LEU 4 -21.196 -9.853 -9.853 26 2HD1 LEU 4 HD11 LEU 4 -21.739 -10.841 -10.841 27 3HD1 LEU 4 HD13 LEU 4 -22.764 -9.543 -9.543 28 1HD2 LEU 4 HD21 LEU 4 -21.375 -12.747 -12.747 29 2HD2 LEU 4 HD23 LEU 4 -22.761 -13.420 -13.420 30 3HD2 LEU 4 HD22 LEU 4 -21.426 -12.704 -12.704 31 H LEU 5 HN LEU 5 -24.190 -7.011 -7.011 32 HA LEU 5 HA LEU 5 -26.770 -8.176 -8.176 33 1HB LEU 5 HB1 LEU 5 -26.043 -6.522 -6.522 34 2HB LEU 5 HB2 LEU 5 -27.322 -5.788 -5.788 35 HG LEU 5 HG LEU 5 -28.023 -7.284 -7.284 36 1HD1 LEU 5 HD21 LEU 5 -29.494 -6.537 -6.537 37 2HD1 LEU 5 HD23 LEU 5 -29.098 -8.036 -8.036 38 3HD1 LEU 5 HD22 LEU 5 -29.947 -8.091 -8.091 39 1HD2 LEU 5 HD13 LEU 5 -26.307 -9.079 -9.079 40 2HD2 LEU 5 HD12 LEU 5 -27.475 -9.441 -9.441 41 3HD2 LEU 5 HD11 LEU 5 -27.913 -9.673 -9.673 42 H GLU 6 HN GLU 6 -24.895 -7.238 -7.238 43 HA GLU 6 HA GLU 6 -26.164 -4.753 -4.753 44 1HB GLU 6 HB2 GLU 6 -24.132 -4.172 -4.172 45 2HB GLU 6 HB1 GLU 6 -23.729 -4.583 -4.583 46 1HG GLU 6 HG2 GLU 6 -23.605 -6.921 -6.921 47 2HG GLU 6 HG1 GLU 6 -22.640 -5.639 -5.639 48 H GLU 7 HN GLU 7 -25.210 -8.005 -8.005 49 HA GLU 7 HA GLU 7 -25.696 -9.379 -9.379 50 1HB GLU 7 HB2 GLU 7 -28.018 -8.422 -8.422 51 2HB GLU 7 HB1 GLU 7 -27.879 -7.489 -7.489 52 1HG GLU 7 HG2 GLU 7 -29.126 -9.723 -9.723 53 2HG GLU 7 HG1 GLU 7 -27.960 -9.374 -9.374 54 H VAL 8 HN VAL 8 -23.794 -7.232 -7.232 55 HA VAL 8 HA VAL 8 -22.486 -6.459 -6.459 56 HB VAL 8 HB VAL 8 -24.364 -8.048 -8.048 57 1HG1 VAL 8 HG13 VAL 8 -22.198 -6.201 -6.201 58 2HG1 VAL 8 HG12 VAL 8 -22.000 -7.797 -7.797 59 3HG1 VAL 8 HG11 VAL 8 -23.466 -6.865 -6.865 60 1HG2 VAL 8 HG23 VAL 8 -22.860 -9.197 -9.197 61 2HG2 VAL 8 HG22 VAL 8 -22.846 -9.803 -9.803 62 3HG2 VAL 8 HG21 VAL 8 -21.537 -8.768 -8.768 63 H CYS 9 HN CYS 9 -25.442 -5.469 -5.469 64 HA CYS 9 HA CYS 9 -26.697 -4.100 -4.100 65 1HB CYS 9 HB2 CYS 9 -26.211 -3.654 -3.654 66 2HB CYS 9 HB1 CYS 9 -26.328 -2.118 -2.118 67 HG CYS 9 HG CYS 9 -28.649 -3.663 -3.663 68 H VAL 10 HN VAL 10 -23.526 -3.217 -3.217 69 HA VAL 10 HA VAL 10 -23.227 -1.364 -1.364 70 HB VAL 10 HB VAL 10 -21.957 0.185 0.185 71 1HG1 VAL 10 HG23 VAL 10 -24.598 0.051 0.051 72 2HG1 VAL 10 HG22 VAL 10 -24.386 -0.226 -0.226 73 3HG1 VAL 10 HG21 VAL 10 -23.756 1.246 1.246 74 1HG2 VAL 10 HG12 VAL 10 -21.389 -1.854 -1.854 75 2HG2 VAL 10 HG11 VAL 10 -21.283 -0.169 -0.169 76 3HG2 VAL 10 HG13 VAL 10 -22.708 -1.126 -1.126 77 H GLY 11 HN GLY 11 -22.217 -4.168 -4.168 78 1HA GLY 11 HA2 GLY 11 -19.548 -4.296 -4.296 79 2HA GLY 11 HA1 GLY 11 -20.420 -5.485 -5.485 80 H ASP 12 HN ASP 12 -21.172 -3.564 -3.564 81 HA ASP 12 HA ASP 12 -18.529 -3.195 -3.195 82 1HB ASP 12 HB1 ASP 12 -19.768 -4.983 -4.983 83 2HB ASP 12 HB2 ASP 12 -21.158 -3.922 -3.922 84 H ARG 13 HN ARG 13 -20.095 -1.284 -1.284 85 HA ARG 13 HA ARG 13 -20.895 0.700 0.700 86 1HB ARG 13 HB1 ARG 13 -22.238 0.108 0.108 87 2HB ARG 13 HB2 ARG 13 -21.051 1.108 1.108 88 1HG ARG 13 HG1 ARG 13 -22.946 2.461 2.461 89 2HG ARG 13 HG2 ARG 13 -21.642 2.965 2.965 90 1HD ARG 13 HD2 ARG 13 -23.522 0.882 0.882 91 2HD ARG 13 HD1 ARG 13 -24.110 2.541 2.541 92 HE ARG 13 HE ARG 13 -21.745 2.777 2.777 93 1HH1 ARG 13 HH11 ARG 13 -24.590 0.828 0.828 94 2HH1 ARG 13 HH12 ARG 13 -24.411 0.764 0.764 95 1HH2 ARG 13 HH21 ARG 13 -21.499 2.699 2.699 96 2HH2 ARG 13 HH22 ARG 13 -22.652 1.826 1.826 97 H LEU 14 HN LEU 14 -19.014 0.746 0.746 98 HA LEU 14 HA LEU 14 -17.616 3.121 3.121 99 1HB LEU 14 HB1 LEU 14 -17.955 2.663 2.663 100 2HB LEU 14 HB2 LEU 14 -17.201 1.086 1.086 101 HG LEU 14 HG LEU 14 -15.842 2.926 2.926 102 1HD1 LEU 14 HD11 LEU 14 -15.094 0.726 0.726 103 2HD1 LEU 14 HD13 LEU 14 -14.224 1.967 1.967 104 3HD1 LEU 14 HD12 LEU 14 -13.967 1.796 1.796 105 1HD2 LEU 14 HD22 LEU 14 -16.512 4.554 4.554 106 2HD2 LEU 14 HD21 LEU 14 -14.878 4.622 4.622 107 3HD2 LEU 14 HD23 LEU 14 -15.177 3.808 3.808 108 H SER 15 HN SER 15 -16.806 -0.325 -0.325 109 HA SER 15 HA SER 15 -14.106 -0.133 -0.133 110 1HB SER 15 HB1 SER 15 -16.185 -2.246 -2.246 111 2HB SER 15 HB2 SER 15 -14.517 -2.435 -2.435 112 HG SER 15 HG SER 15 -14.811 -3.368 -3.368 113 H GLY 16 HN GLY 16 -16.979 0.011 0.011 114 1HA GLY 16 HA2 GLY 16 -15.656 -0.169 -0.169 115 2HA GLY 16 HA1 GLY 16 -17.263 0.487 0.487 116 H ALA 17 HN ALA 17 -16.886 2.660 2.660 117 HA ALA 17 HA ALA 17 -15.985 4.593 4.593 118 1HB ALA 17 HB3 ALA 17 -17.604 4.853 4.853 119 2HB ALA 17 HB2 ALA 17 -16.161 5.084 5.084 120 3HB ALA 17 HB1 ALA 17 -16.506 6.191 6.191 121 H ALA 18 HN ALA 18 -14.474 3.416 3.416 122 HA ALA 18 HA ALA 18 -12.172 4.971 4.971 123 1HB ALA 18 HB3 ALA 18 -13.052 3.348 3.348 124 2HB ALA 18 HB2 ALA 18 -12.079 2.143 2.143 125 3HB ALA 18 HB1 ALA 18 -11.313 3.583 3.583 126 H ALA 19 HN ALA 19 -12.675 1.697 1.697 127 HA ALA 19 HA ALA 19 -10.100 1.427 1.427 128 1HB ALA 19 HB3 ALA 19 -11.789 -0.406 -0.406 129 2HB ALA 19 HB2 ALA 19 -12.570 0.070 0.070 130 3HB ALA 19 HB1 ALA 19 -10.908 -0.518 -0.518 131 H ARG 20 HN ARG 20 -13.036 2.916 2.916 132 HA ARG 20 HA ARG 20 -12.220 3.112 3.112 133 1HB ARG 20 HB1 ARG 20 -14.344 4.584 4.584 134 2HB ARG 20 HB2 ARG 20 -14.112 4.742 4.742 135 1HG ARG 20 HG2 ARG 20 -14.325 1.970 1.970 136 2HG ARG 20 HG1 ARG 20 -15.719 2.899 2.899 137 1HD ARG 20 HD2 ARG 20 -14.716 2.492 2.492 138 2HD ARG 20 HD1 ARG 20 -16.327 2.201 2.201 139 HE ARG 20 HE ARG 20 -15.901 4.904 4.904 140 1HH1 ARG 20 HH21 ARG 20 -15.963 2.603 2.603 141 2HH1 ARG 20 HH22 ARG 20 -16.512 3.755 3.755 142 1HH2 ARG 20 HH11 ARG 20 -16.626 6.427 6.427 143 2HH2 ARG 20 HH12 ARG 20 -16.890 5.929 5.929 144 H GLY 21 HN GLY 21 -10.937 4.521 4.521 145 1HA GLY 21 HA1 GLY 21 -9.683 6.404 6.404 146 2HA GLY 21 HA2 GLY 21 -9.280 6.286 6.286 147 H ASP 22 HN ASP 22 -11.966 7.382 7.382 148 HA ASP 22 HA ASP 22 -12.114 9.806 9.806 149 1HB ASP 22 HB2 ASP 22 -14.702 8.957 8.957 150 2HB ASP 22 HB1 ASP 22 -14.019 7.799 7.799 151 H VAL 23 HN VAL 23 -11.144 11.103 11.103 152 HA VAL 23 HA VAL 23 -11.468 11.076 11.076 153 HB VAL 23 HB VAL 23 -9.772 12.448 12.448 154 1HG1 VAL 23 HG12 VAL 23 -12.150 13.958 13.958 155 2HG1 VAL 23 HG11 VAL 23 -10.555 14.704 14.704 156 3HG1 VAL 23 HG13 VAL 23 -10.793 13.279 13.279 157 1HG2 VAL 23 HG21 VAL 23 -11.234 13.131 13.131 158 2HG2 VAL 23 HG23 VAL 23 -9.685 13.824 13.824 159 3HG2 VAL 23 HG22 VAL 23 -11.188 14.629 14.629 160 H GLN 24 HN GLN 24 -13.671 12.100 12.100 161 HA GLN 24 HA GLN 24 -15.259 13.825 13.825 162 1HB GLN 24 HB1 GLN 24 -15.772 12.432 12.432 163 2HB GLN 24 HB2 GLN 24 -16.966 13.463 13.463 164 1HG GLN 24 HG2 GLN 24 -14.366 14.736 14.736 165 2HG GLN 24 HG1 GLN 24 -15.028 14.261 14.261 166 1HE2 GLN 24 HE22 GLN 24 -17.287 16.859 16.859 167 2HE2 GLN 24 HE21 GLN 24 -16.459 15.558 15.558 168 HA GLU 25 HA GLU 25 -18.130 10.145 10.145 169 1HB GLU 25 HB1 GLU 25 -16.603 7.984 7.984 170 2HB GLU 25 HB2 GLU 25 -18.301 7.995 7.995 171 1HG GLU 25 HG2 GLU 25 -17.541 8.430 8.430 172 2HG GLU 25 HG1 GLU 25 -18.916 9.278 9.278 173 HE1 GLU 25 HN GLU 25 -15.890 10.559 10.559 174 H VAL 26 HN VAL 26 -14.760 9.828 9.828 175 HA VAL 26 HA VAL 26 -14.639 7.711 7.711 176 HB VAL 26 HB VAL 26 -12.800 9.955 9.955 177 1HG1 VAL 26 HG21 VAL 26 -12.639 9.758 9.758 178 2HG1 VAL 26 HG23 VAL 26 -12.247 8.050 8.050 179 3HG1 VAL 26 HG22 VAL 26 -11.158 9.281 9.281 180 1HG2 VAL 26 HG12 VAL 26 -13.180 7.424 7.424 181 2HG2 VAL 26 HG11 VAL 26 -11.712 8.378 8.378 182 3HG2 VAL 26 HG13 VAL 26 -11.822 7.205 7.205 183 H ARG 27 HN ARG 27 -14.183 11.182 11.182 184 HA ARG 27 HA ARG 27 -14.690 10.832 10.832 185 1HB ARG 27 HB1 ARG 27 -14.468 13.260 13.260 186 2HB ARG 27 HB2 ARG 27 -13.180 12.566 12.566 187 1HG ARG 27 HG1 ARG 27 -13.907 13.537 13.537 188 2HG ARG 27 HG2 ARG 27 -15.600 13.501 13.501 189 1HD ARG 27 HD1 ARG 27 -14.768 15.235 15.235 190 2HD ARG 27 HD2 ARG 27 -13.488 15.503 15.503 191 HE ARG 27 HE ARG 27 -16.202 16.355 16.355 192 1HH1 ARG 27 HH11 ARG 27 -13.461 15.303 15.303 193 2HH1 ARG 27 HH12 ARG 27 -13.946 16.149 16.149 194 1HH2 ARG 27 HH21 ARG 27 -16.852 17.476 17.476 195 2HH2 ARG 27 HH22 ARG 27 -15.874 17.386 17.386 196 H ARG 28 HN ARG 28 -16.610 12.016 12.016 197 HA ARG 28 HA ARG 28 -18.754 13.075 13.075 198 1HB ARG 28 HB2 ARG 28 -18.509 13.591 13.591 199 2HB ARG 28 HB1 ARG 28 -18.644 11.894 11.894 200 1HG ARG 28 HG2 ARG 28 -20.975 11.945 11.945 201 2HG ARG 28 HG1 ARG 28 -20.800 13.697 13.697 202 1HD ARG 28 HD2 ARG 28 -20.014 12.703 12.703 203 2HD ARG 28 HD1 ARG 28 -21.676 12.270 12.270 204 HE ARG 28 HE ARG 28 -22.260 14.500 14.500 205 1HH1 ARG 28 HH11 ARG 28 -18.798 14.160 14.160 206 2HH1 ARG 28 HH12 ARG 28 -18.528 15.808 15.808 207 1HH2 ARG 28 HH21 ARG 28 -21.916 16.672 16.672 208 2HH2 ARG 28 HH22 ARG 28 -20.302 17.236 17.236 209 H LEU 29 HN LEU 29 -17.947 9.792 9.792 210 HA LEU 29 HA LEU 29 -20.548 8.710 8.710 211 1HB LEU 29 HB2 LEU 29 -17.816 7.625 7.625 212 2HB LEU 29 HB1 LEU 29 -19.001 6.568 6.568 213 HG LEU 29 HG LEU 29 -19.486 7.970 7.970 214 1HD1 LEU 29 HD13 LEU 29 -17.866 5.608 5.608 215 2HD1 LEU 29 HD12 LEU 29 -19.094 5.355 5.355 216 3HD1 LEU 29 HD11 LEU 29 -17.894 6.632 6.632 217 1HD2 LEU 29 HD21 LEU 29 -21.177 6.608 6.608 218 2HD2 LEU 29 HD23 LEU 29 -21.493 7.016 7.016 219 3HD2 LEU 29 HD22 LEU 29 -20.808 5.445 5.445 220 H LEU 30 HN LEU 30 -17.556 8.337 8.337 221 HA LEU 30 HA LEU 30 -18.850 7.227 7.227 222 1HB LEU 30 HB1 LEU 30 -16.197 8.650 8.650 223 2HB LEU 30 HB2 LEU 30 -16.748 7.456 7.456 224 HG LEU 30 HG LEU 30 -16.674 6.587 6.587 225 1HD1 LEU 30 HD11 LEU 30 -14.334 7.666 7.666 226 2HD1 LEU 30 HD13 LEU 30 -14.118 6.042 6.042 227 3HD1 LEU 30 HD12 LEU 30 -14.599 7.364 7.364 228 1HD2 LEU 30 HD23 LEU 30 -16.821 5.432 5.432 229 2HD2 LEU 30 HD22 LEU 30 -16.862 4.627 4.627 230 3HD2 LEU 30 HD21 LEU 30 -15.321 4.886 4.886 231 H HIS 31 HN HIS 31 -17.538 10.540 10.540 232 HA HIS 31 HA HIS 31 -18.573 11.387 11.387 233 1HB HIS 31 HB1 HIS 31 -17.658 13.491 13.491 234 2HB HIS 31 HB2 HIS 31 -16.582 12.377 12.377 235 HD2 HIS 31 HD2 HIS 31 -15.757 13.898 13.898 236 HE1 HIS 31 HE1 HIS 31 -19.587 15.037 15.037 237 HE2 HIS 31 HE2 HIS 31 -17.089 15.259 15.259 238 H ARG 32 HN ARG 32 -20.179 10.694 10.694 239 HA ARG 32 HA ARG 32 -22.422 12.394 12.394 240 1HB ARG 32 HB1 ARG 32 -20.912 12.847 12.847 241 2HB ARG 32 HB2 ARG 32 -22.396 12.087 12.087 242 1HG ARG 32 HG2 ARG 32 -23.691 13.780 13.780 243 2HG ARG 32 HG1 ARG 32 -22.175 14.566 14.566 244 1HD ARG 32 HD2 ARG 32 -22.764 15.778 15.778 245 2HD ARG 32 HD1 ARG 32 -21.758 14.523 14.523 246 HE ARG 32 HE ARG 32 -23.593 13.775 13.775 247 1HH1 ARG 32 HH11 ARG 32 -24.650 15.685 15.685 248 2HH1 ARG 32 HH12 ARG 32 -26.324 15.618 15.618 249 1HH2 ARG 32 HH21 ARG 32 -25.796 13.681 13.681 250 2HH2 ARG 32 HH22 ARG 32 -26.976 14.479 14.479 251 H GLU 33 HN GLU 33 -21.995 10.254 10.254 252 HA GLU 33 HA GLU 33 -24.397 9.015 9.015 253 1HB GLU 33 HB1 GLU 33 -22.517 8.656 8.656 254 2HB GLU 33 HB2 GLU 33 -21.815 7.526 7.526 255 1HG GLU 33 HG1 GLU 33 -24.437 6.677 6.677 256 2HG GLU 33 HG2 GLU 33 -23.950 7.142 7.142 257 H LEU 34 HN LEU 34 -21.824 8.520 8.520 258 HA LEU 34 HA LEU 34 -21.726 7.389 7.389 259 1HB LEU 34 HB1 LEU 34 -23.970 8.368 8.368 260 2HB LEU 34 HB2 LEU 34 -24.686 6.967 6.967 261 HG LEU 34 HG LEU 34 -23.695 5.550 5.550 262 1HD1 LEU 34 HD21 LEU 34 -22.239 7.846 7.846 263 2HD1 LEU 34 HD23 LEU 34 -23.406 7.725 7.725 264 3HD1 LEU 34 HD22 LEU 34 -22.321 6.378 6.378 265 1HD2 LEU 34 HD12 LEU 34 -25.925 7.348 7.348 266 2HD2 LEU 34 HD11 LEU 34 -25.772 5.716 5.716 267 3HD2 LEU 34 HD13 LEU 34 -25.267 7.100 7.100 268 H VAL 35 HN VAL 35 -20.478 5.872 5.872 269 HA VAL 35 HA VAL 35 -21.818 3.250 3.250 270 HB VAL 35 HB VAL 35 -19.679 4.332 4.332 271 1HG1 VAL 35 HG13 VAL 35 -20.871 1.575 1.575 272 2HG1 VAL 35 HG12 VAL 35 -19.974 2.144 2.144 273 3HG1 VAL 35 HG11 VAL 35 -19.176 2.036 2.036 274 1HG2 VAL 35 HG21 VAL 35 -22.591 3.689 3.689 275 2HG2 VAL 35 HG23 VAL 35 -21.748 5.200 5.200 276 3HG2 VAL 35 HG22 VAL 35 -21.478 3.790 3.790 277 H HIS 36 HN HIS 36 -20.389 1.391 1.391 278 HA HIS 36 HA HIS 36 -18.643 1.780 1.780 279 1HB HIS 36 HB1 HIS 36 -20.076 -0.376 -0.376 280 2HB HIS 36 HB2 HIS 36 -18.378 -0.837 -0.837 281 HD2 HIS 36 HD2 HIS 36 -20.810 0.602 0.602 282 HE1 HIS 36 HE1 HIS 36 -18.107 -2.176 -2.176 283 HE2 HIS 36 HE2 HIS 36 -19.958 -0.511 -0.511 284 HA PRO 37 HA PRO 37 -14.805 2.329 2.329 285 1HB PRO 37 HB2 PRO 37 -13.116 1.275 1.275 286 2HB PRO 37 HB1 PRO 37 -13.870 2.863 2.863 287 1HG PRO 37 HG1 PRO 37 -14.673 0.253 0.253 288 2HG PRO 37 HG2 PRO 37 -14.620 1.865 1.865 289 1HD PRO 37 HD2 PRO 37 -16.925 0.749 0.749 290 2HD PRO 37 HD1 PRO 37 -16.632 2.499 2.499 291 H ASP 38 HN ASP 38 -15.666 -0.830 -0.830 292 HA ASP 38 HA ASP 38 -13.656 -2.208 -2.208 293 1HB ASP 38 HB2 ASP 38 -15.411 -2.851 -2.851 294 2HB ASP 38 HB1 ASP 38 -15.599 -4.048 -4.048 295 H ALA 39 HN ALA 39 -17.201 -2.598 -2.598 296 HA ALA 39 HA ALA 39 -18.598 -3.466 -3.466 297 1HB ALA 39 HB1 ALA 39 -17.752 -0.818 -0.818 298 2HB ALA 39 HB3 ALA 39 -17.908 -1.644 -1.644 299 3HB ALA 39 HB2 ALA 39 -19.277 -1.588 -1.588 300 H LEU 40 HN LEU 40 -17.659 -5.486 -5.486 301 HA LEU 40 HA LEU 40 -15.716 -5.635 -5.635 302 1HB LEU 40 HB2 LEU 40 -16.914 -7.803 -7.803 303 2HB LEU 40 HB1 LEU 40 -15.656 -8.045 -8.045 304 HG LEU 40 HG LEU 40 -14.366 -6.256 -6.256 305 1HD1 LEU 40 HD21 LEU 40 -16.658 -7.001 -7.001 306 2HD1 LEU 40 HD23 LEU 40 -15.077 -6.979 -6.979 307 3HD1 LEU 40 HD22 LEU 40 -15.684 -5.531 -5.531 308 1HD2 LEU 40 HD11 LEU 40 -14.381 -9.040 -9.040 309 2HD2 LEU 40 HD13 LEU 40 -13.093 -8.010 -8.010 310 3HD2 LEU 40 HD12 LEU 40 -14.307 -8.669 -8.669 311 H ASN 41 HN ASN 41 -16.102 -6.505 -6.505 312 HA ASN 41 HA ASN 41 -18.757 -6.439 -6.439 313 1HB ASN 41 HB1 ASN 41 -16.520 -7.806 -7.806 314 2HB ASN 41 HB2 ASN 41 -17.829 -6.820 -6.820 315 1HD2 ASN 41 HD22 ASN 41 -14.376 -5.129 -5.129 316 2HD2 ASN 41 HD21 ASN 41 -14.740 -6.792 -6.792 317 H ARG 42 HN ARG 42 -19.953 -7.925 -7.925 318 HA ARG 42 HA ARG 42 -21.100 -9.931 -9.931 319 1HB ARG 42 HB2 ARG 42 -19.592 -10.324 -10.324 320 2HB ARG 42 HB1 ARG 42 -18.911 -11.549 -11.549 321 1HG ARG 42 HG2 ARG 42 -21.789 -11.598 -11.598 322 2HG ARG 42 HG1 ARG 42 -21.208 -11.754 -11.754 323 1HD ARG 42 HD2 ARG 42 -20.527 -13.477 -13.477 324 2HD ARG 42 HD1 ARG 42 -21.368 -13.949 -13.949 325 HE ARG 42 HE ARG 42 -18.542 -13.798 -13.798 326 1HH1 ARG 42 HH11 ARG 42 -21.077 -13.498 -13.498 327 2HH1 ARG 42 HH12 ARG 42 -20.054 -13.906 -13.906 328 1HH2 ARG 42 HH21 ARG 42 -17.185 -14.336 -14.336 329 2HH2 ARG 42 HH22 ARG 42 -17.840 -14.382 -14.382 330 H PHE 43 HN PHE 43 -18.849 -8.865 -8.865 331 HA PHE 43 HA PHE 43 -17.934 -9.427 -9.427 332 1HB PHE 43 HB2 PHE 43 -20.241 -10.626 -10.626 333 2HB PHE 43 HB1 PHE 43 -19.305 -12.097 -12.097 334 HD1 PHE 43 HD2 PHE 43 -18.704 -9.005 -9.005 335 HD2 PHE 43 HD1 PHE 43 -19.114 -13.250 -13.250 336 HE1 PHE 43 HE2 PHE 43 -18.175 -9.072 -9.072 337 HE2 PHE 43 HE1 PHE 43 -18.586 -13.325 -13.325 338 HZ PHE 43 HZ PHE 43 -18.116 -11.233 -11.233 339 H GLY 44 HN GLY 44 -16.259 -9.740 -9.740 340 1HA GLY 44 HA2 GLY 44 -14.804 -12.200 -12.200 341 2HA GLY 44 HA1 GLY 44 -15.023 -11.769 -11.769 342 H LYS 45 HN LYS 45 -14.202 -9.570 -9.570 343 HA LYS 45 HA LYS 45 -11.518 -9.274 -9.274 344 1HB LYS 45 HB1 LYS 45 -12.791 -7.654 -7.654 345 2HB LYS 45 HB2 LYS 45 -11.077 -7.902 -7.902 346 1HG LYS 45 HG2 LYS 45 -11.338 -10.277 -10.277 347 2HG LYS 45 HG1 LYS 45 -13.042 -9.987 -9.987 348 1HD LYS 45 HD2 LYS 45 -12.383 -9.584 -9.584 349 2HD LYS 45 HD1 LYS 45 -11.762 -8.051 -8.051 350 1HE LYS 45 HE1 LYS 45 -9.601 -8.745 -8.745 351 2HE LYS 45 HE2 LYS 45 -10.018 -10.423 -10.423 352 1HZ LYS 45 HZ3 LYS 45 -11.092 -10.004 -10.004 353 2HZ LYS 45 HZ2 LYS 45 -9.654 -9.114 -9.114 354 3HZ LYS 45 HZ1 LYS 45 -9.610 -10.762 -10.762 355 H THR 46 HN THR 46 -10.654 -7.356 -7.356 356 HA THR 46 HA THR 46 -12.583 -5.745 -5.745 357 HB THR 46 HB THR 46 -10.300 -4.697 -4.697 358 HG1 THR 46 HG1 THR 46 -9.403 -7.268 -7.268 359 1HG2 THR 46 HG21 THR 46 -11.376 -7.392 -7.392 360 2HG2 THR 46 HG23 THR 46 -10.004 -6.662 -6.662 361 3HG2 THR 46 HG22 THR 46 -11.572 -5.853 -5.853 362 H ALA 47 HN ALA 47 -12.679 -3.468 -3.468 363 HA ALA 47 HA ALA 47 -12.702 -2.312 -2.312 364 1HB ALA 47 HB3 ALA 47 -12.631 -1.145 -1.145 365 2HB ALA 47 HB2 ALA 47 -12.621 -0.103 -0.103 366 3HB ALA 47 HB1 ALA 47 -13.967 -1.210 -1.210 367 H LEU 48 HN LEU 48 -10.113 -2.407 -2.407 368 HA LEU 48 HA LEU 48 -8.408 -0.591 -0.591 369 1HB LEU 48 HB1 LEU 48 -8.296 -2.235 -2.235 370 2HB LEU 48 HB2 LEU 48 -6.760 -2.138 -2.138 371 HG LEU 48 HG LEU 48 -8.327 0.337 0.337 372 1HD1 LEU 48 HD12 LEU 48 -7.912 -1.081 -1.081 373 2HD1 LEU 48 HD11 LEU 48 -6.188 -0.864 -0.864 374 3HD1 LEU 48 HD13 LEU 48 -7.208 0.536 0.536 375 1HD2 LEU 48 HD21 LEU 48 -6.098 -0.052 -0.052 376 2HD2 LEU 48 HD23 LEU 48 -6.543 1.460 1.460 377 3HD2 LEU 48 HD22 LEU 48 -5.408 0.358 0.358 378 H GLN 49 HN GLN 49 -9.056 -3.991 -3.991 379 HA GLN 49 HA GLN 49 -6.665 -4.782 -4.782 380 1HB GLN 49 HB1 GLN 49 -8.281 -6.306 -6.306 381 2HB GLN 49 HB2 GLN 49 -9.368 -6.118 -6.118 382 1HG GLN 49 HG1 GLN 49 -7.481 -8.073 -8.073 383 2HG GLN 49 HG2 GLN 49 -8.264 -7.612 -7.612 384 1HE2 GLN 49 HE22 GLN 49 -4.436 -6.364 -6.364 385 2HE2 GLN 49 HE21 GLN 49 -5.521 -6.689 -6.689 386 H VAL 50 HN VAL 50 -9.769 -3.566 -3.566 387 HA VAL 50 HA VAL 50 -9.027 -3.920 -3.920 388 HB VAL 50 HB VAL 50 -11.296 -2.951 -2.951 389 1HG1 VAL 50 HG12 VAL 50 -11.140 -5.398 -5.398 390 2HG1 VAL 50 HG11 VAL 50 -12.535 -4.955 -4.955 391 3HG1 VAL 50 HG13 VAL 50 -10.997 -5.339 -5.339 392 1HG2 VAL 50 HG22 VAL 50 -11.142 -2.389 -2.389 393 2HG2 VAL 50 HG21 VAL 50 -12.325 -1.841 -1.841 394 3HG2 VAL 50 HG23 VAL 50 -12.560 -3.377 -3.377 395 H MET 51 HN MET 51 -8.965 -1.549 -1.549 396 HA MET 51 HA MET 51 -9.346 0.856 0.856 397 1HB MET 51 HB2 MET 51 -8.300 0.080 0.080 398 2HB MET 51 HB1 MET 51 -6.854 0.693 0.693 399 1HG MET 51 HG1 MET 51 -8.980 2.547 2.547 400 2HG MET 51 HG2 MET 51 -8.882 2.140 2.140 401 1HE MET 51 HE2 MET 51 -7.356 2.604 2.604 402 2HE MET 51 HE1 MET 51 -5.690 2.264 2.264 403 3HE MET 51 HE3 MET 51 -6.177 3.913 3.913 404 H MET 52 HN MET 52 -8.168 2.286 2.286 405 HA MET 52 HA MET 52 -5.963 1.069 1.069 406 1HB MET 52 HB2 MET 52 -6.709 2.112 2.112 407 2HB MET 52 HB1 MET 52 -8.238 1.940 1.940 408 1HG MET 52 HG1 MET 52 -8.472 4.112 4.112 409 2HG MET 52 HG2 MET 52 -7.407 4.340 4.340 410 1HE MET 52 HE2 MET 52 -8.249 5.420 5.420 411 2HE MET 52 HE1 MET 52 -7.522 6.751 6.751 412 3HE MET 52 HE3 MET 52 -6.817 6.233 6.233 413 H PHE 53 HN PHE 53 -6.139 2.810 2.810 414 HA PHE 53 HA PHE 53 -4.904 4.415 4.415 415 1HB PHE 53 HB2 PHE 53 -2.944 3.850 3.850 416 2HB PHE 53 HB1 PHE 53 -2.572 4.662 4.662 417 HD1 PHE 53 HD2 PHE 53 -4.028 1.446 1.446 418 HD2 PHE 53 HD1 PHE 53 -1.668 3.428 3.428 419 HE1 PHE 53 HE2 PHE 53 -3.508 -0.724 -0.724 420 HE2 PHE 53 HE1 PHE 53 -1.144 1.258 1.258 421 HZ PHE 53 HZ PHE 53 -2.082 -0.834 -0.834 422 H GLY 54 HN GLY 54 -3.749 5.153 5.153 423 1HA GLY 54 HA2 GLY 54 -3.586 7.272 7.272 424 2HA GLY 54 HA1 GLY 54 -5.327 7.038 7.038 425 H SER 55 HN SER 55 -6.623 8.149 8.149 426 HA SER 55 HA SER 55 -5.618 10.641 10.641 427 1HB SER 55 HB1 SER 55 -8.236 9.224 9.224 428 2HB SER 55 HB2 SER 55 -7.971 10.537 10.537 429 HG SER 55 HG SER 55 -7.158 11.255 11.255 430 HA PRO 56 HA PRO 56 -4.024 9.298 9.298 431 1HB PRO 56 HB2 PRO 56 -3.576 11.755 11.755 432 2HB PRO 56 HB1 PRO 56 -2.540 11.047 11.047 433 1HG PRO 56 HG2 PRO 56 -4.733 13.063 13.063 434 2HG PRO 56 HG1 PRO 56 -3.143 13.022 13.022 435 1HD PRO 56 HD1 PRO 56 -5.428 12.229 12.229 436 2HD PRO 56 HD2 PRO 56 -3.839 11.531 11.531 437 H ALA 57 HN ALA 57 -6.683 11.541 11.541 438 HA ALA 57 HA ALA 57 -7.502 11.681 11.681 439 1HB ALA 57 HB1 ALA 57 -8.590 12.425 12.425 440 2HB ALA 57 HB3 ALA 57 -9.823 11.975 11.975 441 3HB ALA 57 HB2 ALA 57 -8.678 13.264 13.264 442 H VAL 58 HN VAL 58 -8.200 9.376 9.376 443 HA VAL 58 HA VAL 58 -10.300 8.007 8.007 444 HB VAL 58 HB VAL 58 -10.146 6.464 6.464 445 1HG1 VAL 58 HG22 VAL 58 -9.938 8.994 8.994 446 2HG1 VAL 58 HG21 VAL 58 -8.438 8.393 8.393 447 3HG1 VAL 58 HG23 VAL 58 -9.980 7.672 7.672 448 1HG2 VAL 58 HG12 VAL 58 -7.162 6.863 6.863 449 2HG2 VAL 58 HG11 VAL 58 -8.049 5.444 5.444 450 3HG2 VAL 58 HG13 VAL 58 -8.028 5.854 5.854 451 H ALA 59 HN ALA 59 -6.821 7.733 7.733 452 HA ALA 59 HA ALA 59 -6.712 5.267 5.267 453 1HB ALA 59 HB1 ALA 59 -4.895 7.557 7.557 454 2HB ALA 59 HB3 ALA 59 -4.556 6.531 6.531 455 3HB ALA 59 HB2 ALA 59 -4.615 5.830 5.830 456 H LEU 60 HN LEU 60 -6.522 8.570 8.570 457 HA LEU 60 HA LEU 60 -6.705 7.785 7.785 458 1HB LEU 60 HB2 LEU 60 -5.864 9.977 9.977 459 2HB LEU 60 HB1 LEU 60 -7.495 10.419 10.419 460 HG LEU 60 HG LEU 60 -6.756 9.713 9.713 461 1HD1 LEU 60 HD13 LEU 60 -6.828 12.441 12.441 462 2HD1 LEU 60 HD12 LEU 60 -6.644 12.115 12.115 463 3HD1 LEU 60 HD11 LEU 60 -5.391 11.607 11.607 464 1HD2 LEU 60 HD22 LEU 60 -9.191 10.359 10.359 465 2HD2 LEU 60 HD21 LEU 60 -8.953 9.823 9.823 466 3HD2 LEU 60 HD23 LEU 60 -8.861 11.539 11.539 467 H GLU 61 HN GLU 61 -9.126 8.494 8.494 468 HA GLU 61 HA GLU 61 -11.357 8.769 8.769 469 1HB GLU 61 HB1 GLU 61 -10.988 8.049 8.049 470 2HB GLU 61 HB2 GLU 61 -12.575 7.886 7.886 471 1HG GLU 61 HG2 GLU 61 -12.846 10.148 10.148 472 2HG GLU 61 HG1 GLU 61 -11.113 10.460 10.460 473 H LEU 62 HN LEU 62 -10.397 5.936 5.936 474 HA LEU 62 HA LEU 62 -12.226 4.165 4.165 475 1HB LEU 62 HB2 LEU 62 -9.671 3.824 3.824 476 2HB LEU 62 HB1 LEU 62 -10.534 2.439 2.439 477 HG LEU 62 HG LEU 62 -12.567 3.545 3.545 478 1HD1 LEU 62 HD21 LEU 62 -11.275 5.543 5.543 479 2HD1 LEU 62 HD23 LEU 62 -10.200 4.517 4.517 480 3HD1 LEU 62 HD22 LEU 62 -11.901 4.660 4.660 481 1HD2 LEU 62 HD13 LEU 62 -11.209 1.334 1.334 482 2HD2 LEU 62 HD12 LEU 62 -12.303 1.936 1.936 483 3HD2 LEU 62 HD11 LEU 62 -10.567 2.208 2.208 484 H LEU 63 HN LEU 63 -8.791 4.742 4.742 485 HA LEU 63 HA LEU 63 -8.508 2.789 2.789 486 1HB LEU 63 HB2 LEU 63 -6.993 5.221 5.221 487 2HB LEU 63 HB1 LEU 63 -6.608 4.481 4.481 488 HG LEU 63 HG LEU 63 -6.630 2.333 2.333 489 1HD1 LEU 63 HD11 LEU 63 -5.381 4.712 4.712 490 2HD1 LEU 63 HD13 LEU 63 -5.159 3.030 3.030 491 3HD1 LEU 63 HD12 LEU 63 -6.758 3.769 3.769 492 1HD2 LEU 63 HD22 LEU 63 -4.385 4.044 4.044 493 2HD2 LEU 63 HD21 LEU 63 -5.027 2.556 2.556 494 3HD2 LEU 63 HD23 LEU 63 -4.133 2.506 2.506 495 H LYS 64 HN LYS 64 -8.842 6.326 6.326 496 HA LYS 64 HA LYS 64 -9.155 6.251 6.251 497 1HB LYS 64 HB1 LYS 64 -8.565 8.266 8.266 498 2HB LYS 64 HB2 LYS 64 -10.252 8.356 8.356 499 1HG LYS 64 HG2 LYS 64 -9.832 8.219 8.219 500 2HG LYS 64 HG1 LYS 64 -9.172 9.661 9.661 501 1HD LYS 64 HD1 LYS 64 -11.568 9.581 9.581 502 2HD LYS 64 HD2 LYS 64 -11.982 8.795 8.795 503 1HE LYS 64 HE2 LYS 64 -11.137 10.688 10.688 504 2HE LYS 64 HE1 LYS 64 -10.596 11.461 11.461 505 1HZ LYS 64 HZ1 LYS 64 -13.427 10.816 10.816 506 2HZ LYS 64 HZ3 LYS 64 -12.722 12.338 12.338 507 3HZ LYS 64 HZ2 LYS 64 -12.856 11.689 11.689 508 H GLN 65 HN GLN 65 -11.371 5.640 5.640 509 HA GLN 65 HA GLN 65 -13.767 6.114 6.114 510 1HB GLN 65 HB2 GLN 65 -13.858 6.239 6.239 511 2HB GLN 65 HB1 GLN 65 -13.235 4.604 4.604 512 1HG GLN 65 HG2 GLN 65 -15.482 4.317 4.317 513 2HG GLN 65 HG1 GLN 65 -15.356 3.927 3.927 514 1HE2 GLN 65 HE22 GLN 65 -18.252 6.039 6.039 515 2HE2 GLN 65 HE21 GLN 65 -17.753 4.419 4.419 516 H GLY 66 HN GLY 66 -11.506 3.541 3.541 517 1HA GLY 66 HA1 GLY 66 -11.705 1.960 1.960 518 2HA GLY 66 HA2 GLY 66 -13.397 1.803 1.803 519 H ALA 67 HN ALA 67 -10.387 1.739 1.739 520 HA ALA 67 HA ALA 67 -11.226 -0.887 -0.887 521 1HB ALA 67 HB1 ALA 67 -11.310 0.912 0.912 522 2HB ALA 67 HB3 ALA 67 -9.590 1.209 1.209 523 3HB ALA 67 HB2 ALA 67 -10.130 -0.334 -0.334 524 H SER 68 HN SER 68 -9.468 -2.331 -2.331 525 HA SER 68 HA SER 68 -6.996 -1.872 -1.872 526 1HB SER 68 HB2 SER 68 -8.328 -4.564 -4.564 527 2HB SER 68 HB1 SER 68 -6.953 -4.170 -4.170 528 HG SER 68 HG SER 68 -8.305 -2.969 -2.969 529 HA PRO 69 HA PRO 69 -5.278 -2.639 -2.639 530 1HB PRO 69 HB1 PRO 69 -2.710 -2.121 -2.121 531 2HB PRO 69 HB2 PRO 69 -3.910 -0.837 -0.837 532 1HG PRO 69 HG1 PRO 69 -2.867 -2.101 -2.101 533 2HG PRO 69 HG2 PRO 69 -3.177 -0.390 -0.390 534 1HD PRO 69 HD1 PRO 69 -4.896 -1.971 -1.971 535 2HD PRO 69 HD2 PRO 69 -5.422 -0.581 -0.581 536 H ASN 70 HN ASN 70 -4.552 -4.260 -4.260 537 HA ASN 70 HA ASN 70 -2.634 -6.110 -6.110 538 1HB ASN 70 HB1 ASN 70 -4.605 -6.741 -6.741 539 2HB ASN 70 HB2 ASN 70 -2.919 -7.233 -7.233 540 1HD2 ASN 70 HD22 ASN 70 -1.877 -4.684 -4.684 541 2HD2 ASN 70 HD21 ASN 70 -1.733 -6.312 -6.312 542 H VAL 71 HN VAL 71 -4.038 -6.248 -6.248 543 HA VAL 71 HA VAL 71 -5.510 -8.785 -8.785 544 HB VAL 71 HB VAL 71 -7.233 -8.066 -8.066 545 1HG1 VAL 71 HG21 VAL 71 -6.622 -6.238 -6.238 546 2HG1 VAL 71 HG23 VAL 71 -7.982 -5.856 -5.856 547 3HG1 VAL 71 HG22 VAL 71 -7.940 -7.395 -7.395 548 1HG2 VAL 71 HG12 VAL 71 -5.337 -5.919 -5.919 549 2HG2 VAL 71 HG11 VAL 71 -6.542 -6.716 -6.716 550 3HG2 VAL 71 HG13 VAL 71 -7.028 -5.420 -5.420 551 H GLN 72 HN GLN 72 -4.773 -10.260 -10.260 552 HA GLN 72 HA GLN 72 -3.351 -9.346 -9.346 553 1HB GLN 72 HB1 GLN 72 -2.477 -11.907 -11.907 554 2HB GLN 72 HB2 GLN 72 -1.532 -10.641 -10.641 555 1HG GLN 72 HG1 GLN 72 -1.681 -9.290 -9.290 556 2HG GLN 72 HG2 GLN 72 -2.630 -10.559 -10.559 557 1HE2 GLN 72 HE22 GLN 72 0.967 -10.805 -10.805 558 2HE2 GLN 72 HE21 GLN 72 -0.198 -9.529 -9.529 559 H ASP 73 HN ASP 73 -3.922 -10.307 -10.307 560 HA ASP 73 HA ASP 73 -5.628 -12.703 -12.703 561 1HB ASP 73 HB2 ASP 73 -6.066 -10.915 -10.915 562 2HB ASP 73 HB1 ASP 73 -6.543 -10.247 -10.247 563 H ALA 74 HN ALA 74 -3.268 -10.858 -10.858 564 HA ALA 74 HA ALA 74 -3.002 -12.792 -12.792 565 1HB ALA 74 HB2 ALA 74 -1.797 -10.220 -10.220 566 2HB ALA 74 HB1 ALA 74 -0.692 -11.341 -11.341 567 3HB ALA 74 HB3 ALA 74 -2.208 -10.890 -10.890 568 H SER 75 HN SER 75 -2.823 -14.593 -14.593 569 HA SER 75 HA SER 75 -1.608 -16.211 -16.211 570 1HB SER 75 HB1 SER 75 0.360 -16.893 -16.893 571 2HB SER 75 HB2 SER 75 -0.509 -16.021 -16.021 572 HG SER 75 HG SER 75 1.869 -15.430 -15.430 573 H GLY 76 HN GLY 76 -1.568 -13.337 -13.337 574 1HA GLY 76 HA1 GLY 76 -0.844 -12.892 -12.892 575 2HA GLY 76 HA2 GLY 76 0.643 -13.755 -13.755 576 H THR 77 HN THR 77 -1.145 -11.069 -11.069 577 HA THR 77 HA THR 77 1.244 -9.398 -9.398 578 HB THR 77 HB THR 77 -0.226 -9.971 -9.971 579 HG1 THR 77 HG1 THR 77 1.663 -10.742 -10.742 580 1HG2 THR 77 HG23 THR 77 1.697 -7.717 -7.717 581 2HG2 THR 77 HG22 THR 77 1.144 -8.246 -8.246 582 3HG2 THR 77 HG21 THR 77 -0.005 -7.570 -7.570 583 H SER 78 HN SER 78 0.402 -7.969 -7.969 584 HA SER 78 HA SER 78 -2.270 -7.010 -7.010 585 1HB SER 78 HB2 SER 78 -0.286 -5.299 -5.299 586 2HB SER 78 HB1 SER 78 -1.777 -6.011 -6.011 587 HG SER 78 HG SER 78 0.784 -7.183 -7.183 588 HA PRO 79 HA PRO 79 -2.220 -3.500 -3.500 589 1HB PRO 79 HB1 PRO 79 -2.718 -1.609 -1.609 590 2HB PRO 79 HB2 PRO 79 -3.715 -1.973 -1.973 591 1HG PRO 79 HG2 PRO 79 -4.411 -2.808 -2.808 592 2HG PRO 79 HG1 PRO 79 -4.707 -3.805 -3.805 593 1HD PRO 79 HD1 PRO 79 -2.548 -4.043 -4.043 594 2HD PRO 79 HD2 PRO 79 -3.492 -5.320 -5.320 595 H VAL 80 HN VAL 80 -0.453 -2.993 -2.993 596 HA VAL 80 HA VAL 80 1.040 -0.764 -0.764 597 HB VAL 80 HB VAL 80 2.801 -1.914 -1.914 598 1HG1 VAL 80 HG21 VAL 80 0.770 -0.237 -0.237 599 2HG1 VAL 80 HG23 VAL 80 0.261 -1.600 -1.600 600 3HG1 VAL 80 HG22 VAL 80 1.831 -0.845 -0.845 601 1HG2 VAL 80 HG13 VAL 80 1.041 -4.061 -4.061 602 2HG2 VAL 80 HG12 VAL 80 2.426 -3.994 -3.994 603 3HG2 VAL 80 HG11 VAL 80 0.822 -3.551 -3.551 604 H HIS 81 HN HIS 81 1.596 -4.156 -4.156 605 HA HIS 81 HA HIS 81 4.198 -3.930 -3.930 606 1HB HIS 81 HB1 HIS 81 1.942 -5.833 -5.833 607 2HB HIS 81 HB2 HIS 81 3.490 -5.969 -5.969 608 HD2 HIS 81 HD2 HIS 81 5.650 -6.764 -6.764 609 HE1 HIS 81 HE1 HIS 81 3.213 -7.848 -7.848 610 HE2 HIS 81 HE2 HIS 81 5.578 -7.817 -7.817 611 H ASP 82 HN ASP 82 1.229 -4.208 -4.208 612 HA ASP 82 HA ASP 82 2.394 -3.455 -3.455 613 1HB ASP 82 HB2 ASP 82 0.068 -2.989 -2.989 614 2HB ASP 82 HB1 ASP 82 -0.472 -3.159 -3.159 615 H ALA 83 HN ALA 83 0.941 -1.494 -1.494 616 HA ALA 83 HA ALA 83 0.691 0.935 0.935 617 1HB ALA 83 HB3 ALA 83 0.224 0.139 0.139 618 2HB ALA 83 HB2 ALA 83 1.737 1.001 1.001 619 3HB ALA 83 HB1 ALA 83 0.361 1.841 1.841 620 H ALA 84 HN ALA 84 3.564 -0.461 -0.461 621 HA ALA 84 HA ALA 84 5.226 1.802 1.802 622 1HB ALA 84 HB1 ALA 84 5.657 0.095 0.095 623 2HB ALA 84 HB3 ALA 84 6.067 -1.054 -1.054 624 3HB ALA 84 HB2 ALA 84 7.050 0.391 0.391 625 H ARG 85 HN ARG 85 5.127 -1.398 -1.398 626 HA ARG 85 HA ARG 85 6.977 -0.789 -0.789 627 1HB ARG 85 HB1 ARG 85 6.493 -3.076 -3.076 628 2HB ARG 85 HB2 ARG 85 4.768 -2.831 -2.831 629 1HG ARG 85 HG1 ARG 85 4.981 -3.379 -3.379 630 2HG ARG 85 HG2 ARG 85 6.102 -2.037 -2.037 631 1HD ARG 85 HD1 ARG 85 7.974 -3.373 -3.373 632 2HD ARG 85 HD2 ARG 85 7.023 -4.629 -4.629 633 HE ARG 85 HE ARG 85 6.034 -4.702 -4.702 634 1HH1 ARG 85 HH21 ARG 85 9.319 -4.604 -4.604 635 2HH1 ARG 85 HH22 ARG 85 9.954 -5.493 -5.493 636 1HH2 ARG 85 HH11 ARG 85 6.859 -5.876 -5.876 637 2HH2 ARG 85 HH12 ARG 85 8.556 -6.215 -6.215 638 H THR 86 HN THR 86 3.584 -0.101 -0.101 639 HA THR 86 HA THR 86 3.077 0.420 0.420 640 HB THR 86 HB THR 86 1.067 1.674 1.674 641 HG1 THR 86 HG1 THR 86 0.692 1.408 1.408 642 1HG2 THR 86 HG21 THR 86 1.637 -1.174 -1.174 643 2HG2 THR 86 HG23 THR 86 0.364 -0.606 -0.606 644 3HG2 THR 86 HG22 THR 86 0.227 -0.343 -0.343 645 H GLY 87 HN GLY 87 3.038 2.778 2.778 646 1HA GLY 87 HA2 GLY 87 4.819 4.586 4.586 647 2HA GLY 87 HA1 GLY 87 4.124 4.767 4.767 648 H PHE 88 HN PHE 88 3.042 4.642 4.642 649 HA PHE 88 HA PHE 88 1.488 7.083 7.083 650 1HB PHE 88 HB2 PHE 88 0.463 4.535 4.535 651 2HB PHE 88 HB1 PHE 88 -0.350 6.089 6.089 652 HD1 PHE 88 HD2 PHE 88 0.011 7.170 7.170 653 HD2 PHE 88 HD1 PHE 88 -1.039 3.261 3.261 654 HE1 PHE 88 HE2 PHE 88 -1.180 6.766 6.766 655 HE2 PHE 88 HE1 PHE 88 -2.230 2.849 2.849 656 HZ PHE 88 HZ PHE 88 -2.303 4.603 4.603 657 H LEU 89 HN LEU 89 3.897 7.182 7.182 658 HA LEU 89 HA LEU 89 4.212 6.710 6.710 659 1HB LEU 89 HB1 LEU 89 6.033 7.462 7.462 660 2HB LEU 89 HB2 LEU 89 5.252 9.012 9.012 661 HG LEU 89 HG LEU 89 7.168 9.022 9.022 662 1HD1 LEU 89 HD13 LEU 89 5.071 10.589 10.589 663 2HD1 LEU 89 HD12 LEU 89 4.706 9.806 9.806 664 3HD1 LEU 89 HD11 LEU 89 6.225 10.677 10.677 665 1HD2 LEU 89 HD21 LEU 89 5.938 6.781 6.781 666 2HD2 LEU 89 HD23 LEU 89 7.238 7.696 7.696 667 3HD2 LEU 89 HD22 LEU 89 5.559 8.033 8.033 668 H ASP 90 HN ASP 90 2.784 9.587 9.587 669 HA ASP 90 HA ASP 90 2.412 11.152 11.152 670 1HB ASP 90 HB2 ASP 90 0.336 12.011 12.011 671 2HB ASP 90 HB1 ASP 90 0.777 10.854 10.854 672 H THR 91 HN THR 91 -0.156 9.147 9.147 673 HA THR 91 HA THR 91 -1.805 9.263 9.263 674 HB THR 91 HB THR 91 -1.775 7.438 7.438 675 HG1 THR 91 HG1 THR 91 -2.525 9.823 9.823 676 1HG2 THR 91 HG23 THR 91 -3.503 7.308 7.308 677 2HG2 THR 91 HG22 THR 91 -4.231 7.041 7.041 678 3HG2 THR 91 HG21 THR 91 -2.904 6.014 6.014 679 H LEU 92 HN LEU 92 0.458 6.806 6.806 680 HA LEU 92 HA LEU 92 -0.005 4.821 4.821 681 1HB LEU 92 HB1 LEU 92 1.532 4.688 4.688 682 2HB LEU 92 HB2 LEU 92 2.708 5.606 5.606 683 HG LEU 92 HG LEU 92 2.893 3.819 3.819 684 1HD1 LEU 92 HD21 LEU 92 0.675 2.571 2.571 685 2HD1 LEU 92 HD23 LEU 92 1.721 1.630 1.630 686 3HD1 LEU 92 HD22 LEU 92 0.722 2.924 2.924 687 1HD2 LEU 92 HD12 LEU 92 4.293 3.716 3.716 688 2HD2 LEU 92 HD11 LEU 92 3.905 2.110 2.110 689 3HD2 LEU 92 HD13 LEU 92 3.062 2.738 2.738 690 H LYS 93 HN LYS 93 2.215 7.587 7.587 691 HA LYS 93 HA LYS 93 3.334 7.115 7.115 692 1HB LYS 93 HB1 LYS 93 3.804 8.999 8.999 693 2HB LYS 93 HB2 LYS 93 2.541 9.884 9.884 694 1HG LYS 93 HG2 LYS 93 4.075 10.586 10.586 695 2HG LYS 93 HG1 LYS 93 4.252 8.923 8.923 696 1HD LYS 93 HD1 LYS 93 6.418 9.431 9.431 697 2HD LYS 93 HD2 LYS 93 5.809 8.688 8.688 698 1HE LYS 93 HE1 LYS 93 7.019 10.684 10.684 699 2HE LYS 93 HE2 LYS 93 5.302 10.946 10.946 700 1HZ LYS 93 HZ2 LYS 93 6.375 11.732 11.732 701 2HZ LYS 93 HZ1 LYS 93 6.745 12.704 12.704 702 3HZ LYS 93 HZ3 LYS 93 5.130 12.429 12.429 703 H VAL 94 HN VAL 94 0.161 8.354 8.354 704 HA VAL 94 HA VAL 94 -0.455 9.225 9.225 705 HB VAL 94 HB VAL 94 -1.581 9.689 9.689 706 1HG1 VAL 94 HG11 VAL 94 -3.444 7.870 7.870 707 2HG1 VAL 94 HG13 VAL 94 -3.967 8.971 8.971 708 3HG1 VAL 94 HG12 VAL 94 -2.840 7.669 7.669 709 1HG2 VAL 94 HG23 VAL 94 -1.665 10.794 10.794 710 2HG2 VAL 94 HG22 VAL 94 -2.661 11.330 11.330 711 3HG2 VAL 94 HG21 VAL 94 -3.331 10.234 10.234 712 H LEU 95 HN LEU 95 -1.596 6.448 6.448 713 HA LEU 95 HA LEU 95 -2.912 5.244 5.244 714 1HB LEU 95 HB1 LEU 95 -3.433 3.442 3.442 715 2HB LEU 95 HB2 LEU 95 -3.601 4.932 4.932 716 HG LEU 95 HG LEU 95 -1.151 4.402 4.402 717 1HD1 LEU 95 HD21 LEU 95 -1.680 2.166 2.166 718 2HD1 LEU 95 HD23 LEU 95 -1.737 1.597 1.597 719 3HD1 LEU 95 HD22 LEU 95 -0.300 2.426 2.426 720 1HD2 LEU 95 HD11 LEU 95 -3.778 3.507 3.507 721 2HD2 LEU 95 HD13 LEU 95 -2.510 4.412 4.412 722 3HD2 LEU 95 HD12 LEU 95 -2.395 2.656 2.656 723 H VAL 96 HN VAL 96 0.086 4.501 4.501 724 HA VAL 96 HA VAL 96 0.782 2.226 2.226 725 HB VAL 96 HB VAL 96 1.914 3.687 3.687 726 1HG1 VAL 96 HG13 VAL 96 3.288 4.843 4.843 727 2HG1 VAL 96 HG12 VAL 96 4.058 3.281 3.281 728 3HG1 VAL 96 HG11 VAL 96 4.191 4.055 4.055 729 1HG2 VAL 96 HG21 VAL 96 2.291 1.087 1.087 730 2HG2 VAL 96 HG23 VAL 96 1.999 1.482 1.482 731 3HG2 VAL 96 HG22 VAL 96 3.624 1.632 1.632 732 H GLU 97 HN GLU 97 1.349 5.636 5.636 733 HA GLU 97 HA GLU 97 3.133 5.146 5.146 734 1HB GLU 97 HB2 GLU 97 3.041 7.473 7.473 735 2HB GLU 97 HB1 GLU 97 2.946 7.303 7.303 736 1HG GLU 97 HG1 GLU 97 1.173 8.632 8.632 737 2HG GLU 97 HG2 GLU 97 1.089 8.502 8.502 738 H HIS 98 HN HIS 98 -0.316 5.320 5.320 739 HA HIS 98 HA HIS 98 -1.120 5.857 5.857 740 1HB HIS 98 HB1 HIS 98 -2.407 5.266 5.266 741 2HB HIS 98 HB2 HIS 98 -2.717 3.813 3.813 742 HD2 HIS 98 HD2 HIS 98 -5.186 4.125 4.125 743 HE1 HIS 98 HE1 HIS 98 -4.775 8.145 8.145 744 HE2 HIS 98 HE2 HIS 98 -6.237 6.075 6.075 745 H GLY 99 HN GLY 99 -0.060 2.829 2.829 746 1HA GLY 99 HA1 GLY 99 1.021 1.644 1.644 747 2HA GLY 99 HA2 GLY 99 -0.688 1.286 1.286 748 H ALA 100 HN ALA 100 -0.803 1.293 1.293 749 HA ALA 100 HA ALA 100 -1.065 -1.280 -1.280 750 1HB ALA 100 HB2 ALA 100 -0.841 0.990 0.990 751 2HB ALA 100 HB1 ALA 100 0.518 0.028 0.028 752 3HB ALA 100 HB3 ALA 100 -1.117 -0.629 -0.629 753 H ASP 101 HN ASP 101 0.104 -3.020 -3.020 754 HA ASP 101 HA ASP 101 2.720 -3.139 -3.139 755 1HB ASP 101 HB1 ASP 101 1.792 -5.429 -5.429 756 2HB ASP 101 HB2 ASP 101 0.772 -4.975 -4.975 757 H VAL 102 HN VAL 102 4.494 -2.464 -2.464 758 HA VAL 102 HA VAL 102 4.683 -2.721 -2.721 759 HB VAL 102 HB VAL 102 6.301 -0.970 -0.970 760 1HG1 VAL 102 HG12 VAL 102 3.826 -0.425 -0.425 761 2HG1 VAL 102 HG11 VAL 102 4.283 -0.039 -0.039 762 3HG1 VAL 102 HG13 VAL 102 4.997 0.854 0.854 763 1HG2 VAL 102 HG21 VAL 102 7.444 -1.756 -1.756 764 2HG2 VAL 102 HG23 VAL 102 7.276 -0.007 -0.007 765 3HG2 VAL 102 HG22 VAL 102 6.198 -0.907 -0.907 766 H ASN 103 HN ASN 103 5.203 -4.861 -4.861 767 HA ASN 103 HA ASN 103 8.012 -5.394 -5.394 768 1HB ASN 103 HB1 ASN 103 6.866 -6.738 -6.738 769 2HB ASN 103 HB2 ASN 103 8.505 -6.166 -6.166 770 1HD2 ASN 103 HD22 ASN 103 7.606 -2.748 -2.748 771 2HD2 ASN 103 HD21 ASN 103 8.357 -3.600 -3.600 772 H ALA 104 HN ALA 104 4.785 -6.703 -6.703 773 HA ALA 104 HA ALA 104 5.083 -9.375 -9.375 774 1HB ALA 104 HB2 ALA 104 2.998 -7.457 -7.457 775 2HB ALA 104 HB1 ALA 104 2.922 -9.109 -9.109 776 3HB ALA 104 HB3 ALA 104 2.886 -8.812 -8.812 777 H LEU 105 HN LEU 105 5.307 -10.828 -10.828 778 HA LEU 105 HA LEU 105 6.186 -9.681 -9.681 779 1HB LEU 105 HB1 LEU 105 7.281 -12.301 -12.301 780 2HB LEU 105 HB2 LEU 105 8.029 -11.020 -11.020 781 HG LEU 105 HG LEU 105 7.526 -10.468 -10.468 782 1HD1 LEU 105 HD13 LEU 105 8.457 -12.870 -12.870 783 2HD1 LEU 105 HD12 LEU 105 9.955 -12.041 -12.041 784 3HD1 LEU 105 HD11 LEU 105 9.224 -11.783 -11.783 785 1HD2 LEU 105 HD22 LEU 105 9.493 -9.730 -9.730 786 2HD2 LEU 105 HD21 LEU 105 8.579 -8.700 -8.700 787 3HD2 LEU 105 HD23 LEU 105 9.967 -9.611 -9.611 788 H ASP 106 HN ASP 106 6.615 -12.403 -12.403 789 HA ASP 106 HA ASP 106 3.912 -13.480 -13.480 790 1HB ASP 106 HB2 ASP 106 3.961 -11.958 -11.958 791 2HB ASP 106 HB1 ASP 106 5.485 -12.642 -12.642 792 H SER 107 HN SER 107 6.763 -14.054 -14.054 793 HA SER 107 HA SER 107 6.996 -16.731 -16.731 794 1HB SER 107 HB2 SER 107 6.190 -17.468 -17.468 795 2HB SER 107 HB1 SER 107 6.606 -15.973 -15.973 796 HG SER 107 HG SER 107 7.899 -18.268 -18.268 797 H THR 108 HN THR 108 8.690 -14.511 -14.511 798 HA THR 108 HA THR 108 11.266 -15.510 -15.510 799 HB THR 108 HB THR 108 11.606 -12.839 -12.839 800 HG1 THR 108 HG1 THR 108 9.666 -12.295 -12.295 801 1HG2 THR 108 HG21 THR 108 12.366 -15.200 -15.200 802 2HG2 THR 108 HG23 THR 108 11.152 -14.729 -14.729 803 3HG2 THR 108 HG22 THR 108 12.520 -13.667 -13.667 804 H GLY 109 HN GLY 109 9.178 -13.677 -13.677 805 1HA GLY 109 HA2 GLY 109 9.453 -12.838 -12.838 806 2HA GLY 109 HA1 GLY 109 11.106 -13.433 -13.433 807 H SER 110 HN SER 110 10.207 -11.413 -11.413 808 HA SER 110 HA SER 110 12.092 -9.406 -9.406 809 1HB SER 110 HB1 SER 110 11.450 -10.266 -10.266 810 2HB SER 110 HB2 SER 110 10.224 -9.002 -9.002 811 HG SER 110 HG SER 110 12.306 -8.364 -8.364 812 H LEU 111 HN LEU 111 11.687 -7.671 -7.671 813 HA LEU 111 HA LEU 111 9.063 -7.046 -7.046 814 1HB LEU 111 HB1 LEU 111 11.706 -6.424 -6.424 815 2HB LEU 111 HB2 LEU 111 10.925 -4.891 -4.891 816 HG LEU 111 HG LEU 111 9.028 -5.971 -5.971 817 1HD1 LEU 111 HD22 LEU 111 11.372 -7.648 -7.648 818 2HD1 LEU 111 HD21 LEU 111 10.784 -6.930 -6.930 819 3HD1 LEU 111 HD23 LEU 111 9.700 -7.901 -7.901 820 1HD2 LEU 111 HD13 LEU 111 10.533 -3.857 -3.857 821 2HD2 LEU 111 HD12 LEU 111 9.704 -4.501 -4.501 822 3HD2 LEU 111 HD11 LEU 111 11.416 -4.843 -4.843 823 HA PRO 112 HA PRO 112 7.359 -4.165 -4.165 824 1HB PRO 112 HB2 PRO 112 7.410 -2.171 -2.171 825 2HB PRO 112 HB1 PRO 112 6.078 -2.630 -2.630 826 1HG PRO 112 HG1 PRO 112 6.175 -3.531 -3.531 827 2HG PRO 112 HG2 PRO 112 5.631 -4.581 -4.581 828 1HD PRO 112 HD2 PRO 112 8.218 -4.577 -4.577 829 2HD PRO 112 HD1 PRO 112 7.317 -5.937 -5.937 830 H ILE 113 HN ILE 113 9.885 -2.867 -2.867 831 HA ILE 113 HA ILE 113 10.614 -0.720 -0.720 832 HB ILE 113 HB ILE 113 11.131 -0.764 -0.764 833 1HG1 ILE 113 HG11 ILE 113 13.274 -0.339 -0.339 834 2HG1 ILE 113 HG12 ILE 113 12.371 0.856 0.856 835 1HG2 ILE 113 HG22 ILE 113 11.800 -3.203 -3.203 836 2HG2 ILE 113 HG21 ILE 113 13.352 -2.672 -2.672 837 3HG2 ILE 113 HG23 ILE 113 12.828 -2.128 -2.128 838 1HD1 ILE 113 HD13 ILE 113 13.614 -0.056 -0.056 839 2HD1 ILE 113 HD12 ILE 113 14.687 -0.828 -0.828 840 3HD1 ILE 113 HD11 ILE 113 14.519 0.928 0.928 841 H HIS 114 HN HIS 114 11.840 -4.005 -4.005 842 HA HIS 114 HA HIS 114 14.136 -3.900 -3.900 843 1HB HIS 114 HB1 HIS 114 12.166 -6.110 -6.110 844 2HB HIS 114 HB2 HIS 114 13.562 -6.375 -6.375 845 HD2 HIS 114 HD2 HIS 114 16.037 -5.408 -5.408 846 HE1 HIS 114 HE1 HIS 114 14.400 -7.106 -7.106 847 HE2 HIS 114 HE2 HIS 114 16.464 -6.064 -6.064 848 H LEU 115 HN LEU 115 10.785 -4.255 -4.255 849 HA LEU 115 HA LEU 115 11.390 -4.746 -4.746 850 1HB LEU 115 HB1 LEU 115 8.793 -3.593 -3.593 851 2HB LEU 115 HB2 LEU 115 9.079 -4.686 -4.686 852 HG LEU 115 HG LEU 115 9.345 -5.444 -5.444 853 1HD1 LEU 115 HD11 LEU 115 7.006 -4.947 -4.947 854 2HD1 LEU 115 HD13 LEU 115 7.217 -6.688 -6.688 855 3HD1 LEU 115 HD12 LEU 115 7.181 -5.978 -5.978 856 1HD2 LEU 115 HD21 LEU 115 10.440 -6.644 -6.644 857 2HD2 LEU 115 HD23 LEU 115 10.143 -7.414 -7.414 858 3HD2 LEU 115 HD22 LEU 115 8.951 -7.552 -7.552 859 H ALA 116 HN ALA 116 10.237 -1.896 -1.896 860 HA ALA 116 HA ALA 116 10.078 -0.099 -0.099 861 1HB ALA 116 HB3 ALA 116 10.916 0.429 0.429 862 2HB ALA 116 HB2 ALA 116 10.427 1.663 1.663 863 3HB ALA 116 HB1 ALA 116 9.269 0.441 0.441 864 H ILE 117 HN ILE 117 12.887 -1.168 -1.168 865 HA ILE 117 HA ILE 117 14.737 0.716 0.716 866 HB ILE 117 HB ILE 117 15.154 -2.104 -2.104 867 1HG1 ILE 117 HG11 ILE 117 15.790 0.518 0.518 868 2HG1 ILE 117 HG12 ILE 117 14.258 -0.324 -0.324 869 1HG2 ILE 117 HG21 ILE 117 17.004 -0.262 -0.262 870 2HG2 ILE 117 HG23 ILE 117 17.537 -0.760 -0.760 871 3HG2 ILE 117 HG22 ILE 117 17.189 -1.976 -1.976 872 1HD1 ILE 117 HD11 ILE 117 16.525 -2.067 -2.067 873 2HD1 ILE 117 HD13 ILE 117 16.541 -0.657 -0.657 874 3HD1 ILE 117 HD12 ILE 117 15.137 -1.724 -1.724 875 H ARG 118 HN ARG 118 13.820 -2.505 -2.505 876 HA ARG 118 HA ARG 118 15.659 -2.463 -2.463 877 1HB ARG 118 HB1 ARG 118 14.648 -4.508 -4.508 878 2HB ARG 118 HB2 ARG 118 14.715 -4.538 -4.538 879 1HG ARG 118 HG1 ARG 118 12.488 -4.588 -4.588 880 2HG ARG 118 HG2 ARG 118 12.235 -3.441 -3.441 881 1HD ARG 118 HD1 ARG 118 11.616 -5.125 -5.125 882 2HD ARG 118 HD2 ARG 118 13.244 -5.789 -5.789 883 HE ARG 118 HE ARG 118 10.888 -6.815 -6.815 884 1HH1 ARG 118 HH21 ARG 118 14.302 -6.383 -6.383 885 2HH1 ARG 118 HH22 ARG 118 14.440 -7.732 -7.732 886 1HH2 ARG 118 HH11 ARG 118 11.055 -8.589 -8.589 887 2HH2 ARG 118 HH12 ARG 118 12.591 -8.986 -8.986 888 H GLU 119 HN GLU 119 12.781 -0.856 -0.856 889 HA GLU 119 HA GLU 119 11.961 -0.760 -0.760 890 1HB GLU 119 HB1 GLU 119 10.542 -0.658 -0.658 891 2HB GLU 119 HB2 GLU 119 10.593 1.032 1.032 892 1HG GLU 119 HG1 GLU 119 8.771 0.515 0.515 893 2HG GLU 119 HG2 GLU 119 9.921 -0.150 -0.150 894 H GLY 120 HN GLY 120 12.737 1.617 1.617 895 1HA GLY 120 HA2 GLY 120 14.293 3.389 3.389 896 2HA GLY 120 HA1 GLY 120 14.111 3.230 3.230 897 H HIS 121 HN HIS 121 11.577 3.534 3.534 898 HA HIS 121 HA HIS 121 10.358 5.669 5.669 899 1HB HIS 121 HB2 HIS 121 9.577 3.949 3.949 900 2HB HIS 121 HB1 HIS 121 8.840 5.547 5.547 901 HD2 HIS 121 HD2 HIS 121 7.897 2.201 2.201 902 HE1 HIS 121 HE1 HIS 121 6.448 4.670 4.670 903 HE2 HIS 121 HE2 HIS 121 6.464 2.323 2.323 904 H SER 122 HN SER 122 12.839 5.593 5.593 905 HA SER 122 HA SER 122 13.946 7.192 7.192 906 1HB SER 122 HB2 SER 122 12.120 8.777 8.777 907 2HB SER 122 HB1 SER 122 12.799 9.614 9.614 908 HG SER 122 HG SER 122 14.082 8.559 8.559 909 H SER 123 HN SER 123 10.793 8.770 8.770 910 HA SER 123 HA SER 123 10.865 9.224 9.224 911 1HB SER 123 HB2 SER 123 8.199 8.772 8.772 912 2HB SER 123 HB1 SER 123 8.767 10.112 10.112 913 HG SER 123 HG SER 123 9.205 11.157 11.157 914 H VAL 124 HN VAL 124 9.130 6.634 6.634 915 HA VAL 124 HA VAL 124 8.070 5.329 5.329 916 HB VAL 124 HB VAL 124 8.948 4.226 4.226 917 1HG1 VAL 124 HG13 VAL 124 8.984 2.472 2.472 918 2HG1 VAL 124 HG12 VAL 124 7.285 2.816 2.816 919 3HG1 VAL 124 HG11 VAL 124 7.773 2.191 2.191 920 1HG2 VAL 124 HG21 VAL 124 6.355 5.182 5.182 921 2HG2 VAL 124 HG23 VAL 124 7.140 5.652 5.652 922 3HG2 VAL 124 HG22 VAL 124 6.386 4.065 4.065 923 H VAL 125 HN VAL 125 11.034 4.388 4.388 924 HA VAL 125 HA VAL 125 11.898 2.399 2.399 925 HB VAL 125 HB VAL 125 13.834 4.305 4.305 926 1HG1 VAL 125 HG11 VAL 125 14.665 2.451 2.451 927 2HG1 VAL 125 HG13 VAL 125 13.917 1.309 1.309 928 3HG1 VAL 125 HG12 VAL 125 15.219 2.361 2.361 929 1HG2 VAL 125 HG22 VAL 125 11.845 2.543 2.543 930 2HG2 VAL 125 HG21 VAL 125 12.621 4.009 4.009 931 3HG2 VAL 125 HG23 VAL 125 13.485 2.472 2.472 932 H SER 126 HN SER 126 13.075 5.771 5.771 933 HA SER 126 HA SER 126 14.509 5.534 5.534 934 1HB SER 126 HB2 SER 126 15.202 7.434 7.434 935 2HB SER 126 HB1 SER 126 13.618 7.739 7.739 936 HG SER 126 HG SER 126 13.075 8.920 8.920 937 H PHE 127 HN PHE 127 11.154 6.095 6.095 938 HA PHE 127 HA PHE 127 10.513 7.125 7.125 939 1HB PHE 127 HB2 PHE 127 9.038 7.625 7.625 940 2HB PHE 127 HB1 PHE 127 8.791 5.913 5.913 941 HD1 PHE 127 HD1 PHE 127 8.763 7.666 7.666 942 HD2 PHE 127 HD2 PHE 127 6.505 5.614 5.614 943 HE1 PHE 127 HE1 PHE 127 6.804 7.663 7.663 944 HE2 PHE 127 HE2 PHE 127 4.540 5.608 5.608 945 HZ PHE 127 HZ PHE 127 4.693 6.630 6.630 946 H LEU 128 HN LEU 128 10.050 3.955 3.955 947 HA LEU 128 HA LEU 128 9.011 2.690 2.690 948 1HB LEU 128 HB2 LEU 128 9.337 2.031 2.031 949 2HB LEU 128 HB1 LEU 128 10.419 0.923 0.923 950 HG LEU 128 HG LEU 128 8.008 0.157 0.157 951 1HD1 LEU 128 HD12 LEU 128 9.645 -0.127 -0.127 952 2HD1 LEU 128 HD11 LEU 128 7.972 -0.673 -0.673 953 3HD1 LEU 128 HD13 LEU 128 9.034 -1.352 -1.352 954 1HD2 LEU 128 HD23 LEU 128 7.351 2.488 2.488 955 2HD2 LEU 128 HD22 LEU 128 6.274 1.106 1.106 956 3HD2 LEU 128 HD21 LEU 128 7.173 1.311 1.311 957 H ALA 129 HN ALA 129 12.093 3.797 3.797 958 HA ALA 129 HA ALA 129 13.760 1.786 1.786 959 1HB ALA 129 HB1 ALA 129 13.980 4.597 4.597 960 2HB ALA 129 HB3 ALA 129 14.896 4.184 4.184 961 3HB ALA 129 HB2 ALA 129 15.210 3.334 3.334 962 HA PRO 130 HA PRO 130 13.485 3.577 3.577 963 1HB PRO 130 HB2 PRO 130 11.940 5.760 5.760 964 2HB PRO 130 HB1 PRO 130 13.630 5.870 5.870 965 1HG PRO 130 HG2 PRO 130 11.139 6.116 6.116 966 2HG PRO 130 HG1 PRO 130 12.614 7.100 7.100 967 1HD PRO 130 HD2 PRO 130 12.114 5.128 5.128 968 2HD PRO 130 HD1 PRO 130 13.757 5.551 5.551 969 H GLU 131 HN GLU 131 10.548 3.752 3.752 970 HA GLU 131 HA GLU 131 8.724 3.224 3.224 971 1HB GLU 131 HB1 GLU 131 8.535 2.896 2.896 972 2HB GLU 131 HB2 GLU 131 7.198 2.522 2.522 973 1HG GLU 131 HG2 GLU 131 8.191 5.114 5.114 974 2HG GLU 131 HG1 GLU 131 7.917 5.013 5.013 975 H SER 132 HN SER 132 10.940 1.260 1.260 976 HA SER 132 HA SER 132 9.614 -1.171 -1.171 977 1HB SER 132 HB2 SER 132 11.180 -0.651 -0.651 978 2HB SER 132 HB1 SER 132 11.183 -2.269 -2.269 979 HG SER 132 HG SER 132 9.198 -2.542 -2.542 980 H ASP 133 HN ASP 133 11.034 -2.887 -2.887 981 HA ASP 133 HA ASP 133 12.807 -2.195 -2.195 982 1HB ASP 133 HB1 ASP 133 13.261 -4.673 -4.673 983 2HB ASP 133 HB2 ASP 133 11.859 -4.516 -4.516 984 H LEU 134 HN LEU 134 14.586 -0.995 -0.995 985 HA LEU 134 HA LEU 134 16.143 -0.844 -0.844 986 1HB LEU 134 HB1 LEU 134 15.978 0.661 0.661 987 2HB LEU 134 HB2 LEU 134 17.515 0.683 0.683 988 HG LEU 134 HG LEU 134 14.876 1.789 1.789 989 1HD1 LEU 134 HD11 LEU 134 17.484 2.815 2.815 990 2HD1 LEU 134 HD13 LEU 134 16.872 3.533 3.533 991 3HD1 LEU 134 HD12 LEU 134 15.907 3.602 3.602 992 1HD2 LEU 134 HD23 LEU 134 17.172 0.899 0.899 993 2HD2 LEU 134 HD22 LEU 134 15.442 0.656 0.656 994 3HD2 LEU 134 HD21 LEU 134 16.151 2.253 2.253 995 H HIS 135 HN HIS 135 16.249 -3.397 -3.397 996 HA HIS 135 HA HIS 135 19.032 -3.833 -3.833 997 1HB HIS 135 HB1 HIS 135 17.813 -3.220 -3.220 998 2HB HIS 135 HB2 HIS 135 18.132 -4.952 -4.952 999 HD2 HIS 135 HD2 HIS 135 21.002 -5.243 -5.243 1000 HE1 HIS 135 HE1 HIS 135 22.121 -2.076 -2.076 1001 HE2 HIS 135 HE2 HIS 135 22.966 -3.882 -3.882 1002 H HIS 136 HN HIS 136 16.633 -4.759 -4.759 1003 HA HIS 136 HA HIS 136 17.037 -7.634 -7.634 1004 1HB HIS 136 HB2 HIS 136 14.810 -6.553 -6.553 1005 2HB HIS 136 HB1 HIS 136 14.277 -6.735 -6.735 1006 HD2 HIS 136 HD2 HIS 136 13.144 -9.099 -9.099 1007 HE1 HIS 136 HE1 HIS 136 15.042 -11.259 -11.259 1008 HE2 HIS 136 HE2 HIS 136 13.226 -11.320 -11.320 1009 H ARG 137 HN ARG 137 16.527 -8.930 -8.930 1010 HA ARG 137 HA ARG 137 16.346 -7.399 -7.399 1011 1HB ARG 137 HB2 ARG 137 17.890 -9.754 -9.754 1012 2HB ARG 137 HB1 ARG 137 18.366 -8.075 -8.075 1013 1HG ARG 137 HG2 ARG 137 19.952 -8.746 -8.746 1014 2HG ARG 137 HG1 ARG 137 18.708 -8.205 -8.205 1015 1HD ARG 137 HD1 ARG 137 19.201 -10.254 -10.254 1016 2HD ARG 137 HD2 ARG 137 17.896 -10.695 -10.695 1017 HE ARG 137 HE ARG 137 20.270 -10.929 -10.929 1018 1HH1 ARG 137 HH11 ARG 137 18.754 -12.383 -12.383 1019 2HH1 ARG 137 HH12 ARG 137 19.534 -13.915 -13.915 1020 1HH2 ARG 137 HH21 ARG 137 21.305 -12.941 -12.941 1021 2HH2 ARG 137 HH22 ARG 137 20.984 -14.231 -14.231 1022 H ASP 138 HN ASP 138 16.281 -9.351 -9.351 1023 HA ASP 138 HA ASP 138 13.700 -10.556 -10.556 1024 1HB ASP 138 HB2 ASP 138 13.500 -10.676 -10.676 1025 2HB ASP 138 HB1 ASP 138 15.160 -11.222 -11.222 1026 H ALA 139 HN ALA 139 13.639 -12.879 -12.879 1027 HA ALA 139 HA ALA 139 15.017 -14.647 -14.647 1028 1HB ALA 139 HB3 ALA 139 12.650 -14.925 -14.925 1029 2HB ALA 139 HB2 ALA 139 13.437 -15.520 -15.520 1030 3HB ALA 139 HB1 ALA 139 13.676 -16.358 -16.358 1031 H SER 140 HN SER 140 15.943 -13.129 -13.129 1032 HA SER 140 HA SER 140 17.581 -15.344 -15.344 1033 1HB SER 140 HB2 SER 140 16.199 -13.469 -13.469 1034 2HB SER 140 HB1 SER 140 17.780 -12.691 -12.691 1035 HG SER 140 HG SER 140 18.660 -14.315 -14.315 1036 H GLY 141 HN GLY 141 17.924 -12.006 -12.006 1037 1HA GLY 141 HA2 GLY 141 19.761 -11.755 -11.755 1038 2HA GLY 141 HA1 GLY 141 20.773 -12.596 -12.596 1039 H LEU 142 HN LEU 142 18.926 -9.640 -9.640 1040 HA LEU 142 HA LEU 142 20.951 -8.068 -8.068 1041 1HB LEU 142 HB2 LEU 142 18.278 -8.458 -8.458 1042 2HB LEU 142 HB1 LEU 142 19.236 -7.016 -7.016 1043 HG LEU 142 HG LEU 142 20.013 -9.853 -9.853 1044 1HD1 LEU 142 HD12 LEU 142 18.361 -8.603 -8.603 1045 2HD1 LEU 142 HD11 LEU 142 19.689 -7.507 -7.507 1046 3HD1 LEU 142 HD13 LEU 142 19.811 -9.218 -9.218 1047 1HD2 LEU 142 HD22 LEU 142 21.627 -7.448 -7.448 1048 2HD2 LEU 142 HD21 LEU 142 22.110 -9.143 -9.143 1049 3HD2 LEU 142 HD23 LEU 142 21.864 -8.230 -8.230 1050 H THR 143 HN THR 143 21.149 -6.602 -6.602 1051 HA THR 143 HA THR 143 18.910 -5.693 -5.693 1052 HB THR 143 HB THR 143 20.598 -4.183 -4.183 1053 HG1 THR 143 HG1 THR 143 22.842 -4.856 -4.856 1054 1HG2 THR 143 HG22 THR 143 20.295 -6.484 -6.484 1055 2HG2 THR 143 HG21 THR 143 21.597 -7.010 -7.010 1056 3HG2 THR 143 HG23 THR 143 21.930 -5.861 -5.861 1057 HA PRO 144 HA PRO 144 17.334 -2.242 -2.242 1058 1HB PRO 144 HB2 PRO 144 18.013 -0.687 -0.687 1059 2HB PRO 144 HB1 PRO 144 16.512 -0.714 -0.714 1060 1HG PRO 144 HG1 PRO 144 16.706 -2.053 -2.053 1061 2HG PRO 144 HG2 PRO 144 15.826 -2.736 -2.736 1062 1HD PRO 144 HD2 PRO 144 18.488 -3.475 -3.475 1063 2HD PRO 144 HD1 PRO 144 17.286 -4.484 -4.484 1064 H LEU 145 HN LEU 145 20.365 -1.888 -1.888 1065 HA LEU 145 HA LEU 145 21.228 0.447 0.447 1066 1HB LEU 145 HB1 LEU 145 22.031 -0.855 -0.855 1067 2HB LEU 145 HB2 LEU 145 23.303 -1.289 -1.289 1068 HG LEU 145 HG LEU 145 22.482 1.500 1.500 1069 1HD1 LEU 145 HD11 LEU 145 24.026 -0.169 -0.169 1070 2HD1 LEU 145 HD13 LEU 145 25.240 0.478 0.478 1071 3HD1 LEU 145 HD12 LEU 145 24.315 1.569 1.569 1072 1HD2 LEU 145 HD21 LEU 145 23.105 1.282 1.282 1073 2HD2 LEU 145 HD23 LEU 145 24.148 2.345 2.345 1074 3HD2 LEU 145 HD22 LEU 145 24.691 0.719 0.719 1075 H GLU 146 HN GLU 146 22.029 -3.005 -3.005 1076 HA GLU 146 HA GLU 146 23.864 -2.743 -2.743 1077 1HB GLU 146 HB2 GLU 146 22.243 -5.068 -5.068 1078 2HB GLU 146 HB1 GLU 146 23.348 -5.226 -5.226 1079 1HG GLU 146 HG2 GLU 146 24.012 -5.647 -5.647 1080 2HG GLU 146 HG1 GLU 146 25.154 -5.235 -5.235 1081 H LEU 147 HN LEU 147 20.430 -3.712 -3.712 1082 HA LEU 147 HA LEU 147 20.106 -4.135 -4.135 1083 1HB LEU 147 HB2 LEU 147 18.441 -3.999 -3.999 1084 2HB LEU 147 HB1 LEU 147 17.819 -2.759 -2.759 1085 HG LEU 147 HG LEU 147 18.038 -5.719 -5.719 1086 1HD1 LEU 147 HD11 LEU 147 15.985 -4.066 -4.066 1087 2HD1 LEU 147 HD13 LEU 147 15.604 -4.390 -4.390 1088 3HD1 LEU 147 HD12 LEU 147 15.843 -5.729 -5.729 1089 1HD2 LEU 147 HD23 LEU 147 18.559 -3.729 -3.729 1090 2HD2 LEU 147 HD22 LEU 147 18.261 -5.444 -5.444 1091 3HD2 LEU 147 HD21 LEU 147 16.920 -4.299 -4.299 1092 H ALA 148 HN ALA 148 20.464 -1.156 -1.156 1093 HA ALA 148 HA ALA 148 19.449 0.549 0.549 1094 1HB ALA 148 HB1 ALA 148 19.604 1.152 1.152 1095 2HB ALA 148 HB3 ALA 148 21.348 1.306 1.306 1096 3HB ALA 148 HB2 ALA 148 20.252 2.362 2.362 1097 H ARG 149 HN ARG 149 22.455 -1.029 -1.029 1098 HA ARG 149 HA ARG 149 24.106 0.697 0.697 1099 1HB ARG 149 HB2 ARG 149 24.935 -0.858 -0.858 1100 2HB ARG 149 HB1 ARG 149 24.594 -2.202 -2.202 1101 1HG ARG 149 HG1 ARG 149 26.425 -1.832 -1.832 1102 2HG ARG 149 HG2 ARG 149 26.260 -0.077 -0.077 1103 1HD ARG 149 HD1 ARG 149 26.885 -0.830 -0.830 1104 2HD ARG 149 HD2 ARG 149 27.889 -1.877 -1.877 1105 HE ARG 149 HE ARG 149 28.166 0.667 0.667 1106 1HH1 ARG 149 HH21 ARG 149 28.776 -0.934 -0.934 1107 2HH1 ARG 149 HH22 ARG 149 30.101 0.095 0.095 1108 1HH2 ARG 149 HH11 ARG 149 29.910 2.033 2.033 1109 2HH2 ARG 149 HH12 ARG 149 30.745 1.781 1.781 1110 H GLN 150 HN GLN 150 22.603 -2.466 -2.466 1111 HA GLN 150 HA GLN 150 23.522 -2.747 -2.747 1112 1HB GLN 150 HB1 GLN 150 21.235 -4.123 -4.123 1113 2HB GLN 150 HB2 GLN 150 22.667 -4.744 -4.744 1114 1HG GLN 150 HG2 GLN 150 20.932 -3.123 -3.123 1115 2HG GLN 150 HG1 GLN 150 20.186 -4.600 -4.600 1116 1HE2 GLN 150 HE22 GLN 150 23.676 -5.220 -5.220 1117 2HE2 GLN 150 HE21 GLN 150 23.584 -4.069 -4.069 1118 H ARG 151 HN ARG 151 20.138 -2.097 -2.097 1119 HA ARG 151 HA ARG 151 19.624 -0.850 -0.850 1120 1HB ARG 151 HB2 ARG 151 18.040 -1.268 -1.268 1121 2HB ARG 151 HB1 ARG 151 17.437 -0.201 -0.201 1122 1HG ARG 151 HG2 ARG 151 16.438 -2.101 -2.101 1123 2HG ARG 151 HG1 ARG 151 17.990 -2.338 -2.338 1124 1HD ARG 151 HD2 ARG 151 18.239 -3.315 -3.315 1125 2HD ARG 151 HD1 ARG 151 16.739 -3.960 -3.960 1126 HE ARG 151 HE ARG 151 19.396 -4.689 -4.689 1127 1HH1 ARG 151 HH21 ARG 151 16.145 -4.346 -4.346 1128 2HH1 ARG 151 HH22 ARG 151 16.349 -5.521 -5.521 1129 1HH2 ARG 151 HH11 ARG 151 19.674 -6.236 -6.236 1130 2HH2 ARG 151 HH12 ARG 151 18.354 -6.594 -6.594 1131 H GLY 152 HN GLY 152 21.637 0.544 0.544 1132 1HA GLY 152 HA1 GLY 152 21.276 2.708 2.708 1133 2HA GLY 152 HA2 GLY 152 22.527 2.578 2.578 1134 H ALA 153 HN ALA 153 18.982 2.730 2.730 1135 HA ALA 153 HA ALA 153 18.662 4.131 4.131 1136 1HB ALA 153 HB1 ALA 153 16.802 3.419 3.419 1137 2HB ALA 153 HB3 ALA 153 17.172 4.743 4.743 1138 3HB ALA 153 HB2 ALA 153 16.618 5.091 5.091 1139 H GLN 154 HN GLN 154 19.032 5.681 5.681 1140 HA GLN 154 HA GLN 154 20.607 7.834 7.834 1141 1HB GLN 154 HB2 GLN 154 18.580 8.800 8.800 1142 2HB GLN 154 HB1 GLN 154 19.147 9.527 9.527 1143 1HG GLN 154 HG2 GLN 154 16.989 9.090 9.090 1144 2HG GLN 154 HG1 GLN 154 17.743 7.587 7.587 1145 1HE2 GLN 154 HE22 GLN 154 16.565 6.302 6.302 1146 2HE2 GLN 154 HE21 GLN 154 18.111 6.894 6.894 1147 H ASN 155 HN ASN 155 20.174 9.312 9.312 1148 HA ASN 155 HA ASN 155 22.268 7.989 7.989 1149 1HB ASN 155 HB1 ASN 155 21.782 9.791 9.791 1150 2HB ASN 155 HB2 ASN 155 22.247 10.368 10.368 1151 1HD2 ASN 155 HD22 ASN 155 19.543 12.554 12.554 1152 2HD2 ASN 155 HD21 ASN 155 21.257 12.364 12.364 1153 H LEU 156 HN LEU 156 20.469 6.067 6.067 1154 HA LEU 156 HA LEU 156 18.452 5.957 5.957 1155 1HB LEU 156 HB1 LEU 156 19.754 4.091 4.091 1156 2HB LEU 156 HB2 LEU 156 19.107 3.342 3.342 1157 HG LEU 156 HG LEU 156 17.615 4.875 4.875 1158 1HD1 LEU 156 HD12 LEU 156 17.862 2.063 2.063 1159 2HD1 LEU 156 HD11 LEU 156 16.236 2.615 2.615 1160 3HD1 LEU 156 HD13 LEU 156 17.531 2.749 2.749 1161 1HD2 LEU 156 HD22 LEU 156 16.950 4.451 4.451 1162 2HD2 LEU 156 HD21 LEU 156 16.419 5.707 5.707 1163 3HD2 LEU 156 HD23 LEU 156 15.668 4.112 4.112 1164 H MET 157 HN MET 157 21.495 4.087 4.087 1165 HA MET 157 HA MET 157 21.379 3.186 3.186 1166 1HB MET 157 HB2 MET 157 23.561 2.501 2.501 1167 2HB MET 157 HB1 MET 157 23.062 2.723 2.723 1168 1HG MET 157 HG2 MET 157 25.108 3.755 3.755 1169 2HG MET 157 HG1 MET 157 24.014 5.110 5.110 1170 1HE MET 157 HE3 MET 157 25.787 2.279 2.279 1171 2HE MET 157 HE2 MET 157 27.230 3.277 3.277 1172 3HE MET 157 HE1 MET 157 26.539 2.997 2.997 1173 H ASP 158 HN ASP 158 21.971 6.361 6.361 1174 HA ASP 158 HA ASP 158 23.375 7.329 7.329 1175 1HB ASP 158 HB2 ASP 158 22.060 9.488 9.488 1176 2HB ASP 158 HB1 ASP 158 22.515 8.370 8.370 1177 H ILE 159 HN ILE 159 19.982 7.362 7.362 1178 HA ILE 159 HA ILE 159 19.076 8.887 8.887 1179 HB ILE 159 HB ILE 159 17.258 7.029 7.029 1180 1HG1 ILE 159 HG12 ILE 159 17.467 9.606 9.606 1181 2HG1 ILE 159 HG11 ILE 159 19.002 8.753 8.753 1182 1HG2 ILE 159 HG21 ILE 159 17.071 9.747 9.747 1183 2HG2 ILE 159 HG23 ILE 159 15.819 9.117 9.117 1184 3HG2 ILE 159 HG22 ILE 159 16.203 8.277 8.277 1185 1HD1 ILE 159 HD12 ILE 159 17.401 6.760 6.760 1186 2HD1 ILE 159 HD11 ILE 159 16.416 8.118 8.118 1187 3HD1 ILE 159 HD13 ILE 159 18.059 7.925 7.925 1188 H LEU 160 HN LEU 160 19.249 5.436 5.436 1189 HA LEU 160 HA LEU 160 17.878 4.612 4.612 1190 1HB LEU 160 HB2 LEU 160 19.681 3.073 3.073 1191 2HB LEU 160 HB1 LEU 160 18.718 2.354 2.354 1192 HG LEU 160 HG LEU 160 16.702 3.441 3.441 1193 1HD1 LEU 160 HD21 LEU 160 18.848 3.567 3.567 1194 2HD1 LEU 160 HD23 LEU 160 17.128 3.524 3.524 1195 3HD1 LEU 160 HD22 LEU 160 17.785 4.861 4.861 1196 1HD2 LEU 160 HD11 LEU 160 17.676 0.951 0.951 1197 2HD2 LEU 160 HD13 LEU 160 16.255 1.410 1.410 1198 3HD2 LEU 160 HD12 LEU 160 17.828 1.284 1.284 1199 H GLN 161 HN GLN 161 21.272 4.959 4.959 1200 HA GLN 161 HA GLN 161 22.382 3.785 3.785 1201 1HB GLN 161 HB2 GLN 161 23.806 4.081 4.081 1202 2HB GLN 161 HB1 GLN 161 23.433 5.793 5.793 1203 1HG GLN 161 HG1 GLN 161 24.621 6.184 6.184 1204 2HG GLN 161 HG2 GLN 161 24.984 4.462 4.462 1205 1HE2 GLN 161 HE22 GLN 161 26.816 6.610 6.610 1206 2HE2 GLN 161 HE21 GLN 161 25.188 6.965 6.965 1207 H GLY 162 HN GLY 162 21.648 7.173 7.173 1208 1HA GLY 162 HA2 GLY 162 22.585 8.237 8.237 1209 2HA GLY 162 HA1 GLY 162 21.470 9.029 9.029 1210 H HIS 163 HN HIS 163 19.342 7.253 7.253 1211 HA HIS 163 HA HIS 163 18.088 8.008 8.008 1212 1HB HIS 163 HB2 HIS 163 17.284 6.646 6.646 1213 2HB HIS 163 HB1 HIS 163 16.343 6.238 6.238 1214 HD2 HIS 163 HD2 HIS 163 14.972 7.952 7.952 1215 HE1 HIS 163 HE1 HIS 163 15.335 11.175 11.175 1216 HE2 HIS 163 HE2 HIS 163 14.058 10.268 10.268 1217 H MET 164 HN MET 164 20.062 5.421 5.421 1218 HA MET 164 HA MET 164 18.891 3.381 3.381 1219 1HB MET 164 HB1 MET 164 21.262 3.701 3.701 1220 2HB MET 164 HB2 MET 164 21.576 2.747 2.747 1221 1HG MET 164 HG1 MET 164 19.907 1.163 1.163 1222 2HG MET 164 HG2 MET 164 19.299 2.190 2.190 1223 1HE MET 164 HE1 MET 164 22.365 0.812 0.812 1224 2HE MET 164 HE3 MET 164 22.833 -0.462 -0.462 1225 3HE MET 164 HE2 MET 164 23.531 1.151 1.151 1226 H MET 165 HN MET 165 21.752 5.463 5.463 1227 HA MET 165 HA MET 165 22.665 6.363 6.363 1228 1HB MET 165 HB1 MET 165 20.063 6.161 6.161 1229 2HB MET 165 HB2 MET 165 20.788 5.065 5.065 1230 1HG MET 165 HG1 MET 165 22.427 7.001 7.001 1231 2HG MET 165 HG2 MET 165 21.223 8.001 8.001 1232 1HE MET 165 HE2 MET 165 21.601 5.198 5.198 1233 2HE MET 165 HE1 MET 165 22.328 6.614 6.614 1234 3HE MET 165 HE3 MET 165 20.842 5.928 5.928 1235 H ILE 166 HN ILE 166 23.493 3.890 3.890 1236 HA ILE 166 HA ILE 166 23.830 1.681 1.681 1237 HB ILE 166 HB ILE 166 26.311 1.712 1.712 1238 1HG1 ILE 166 HG12 ILE 166 25.710 3.795 3.795 1239 2HG1 ILE 166 HG11 ILE 166 25.811 4.405 4.405 1240 1HG2 ILE 166 HG21 ILE 166 24.108 1.990 1.990 1241 2HG2 ILE 166 HG23 ILE 166 25.704 1.309 1.309 1242 3HG2 ILE 166 HG22 ILE 166 24.612 0.509 0.509 1243 1HD1 ILE 166 HD13 ILE 166 28.022 2.967 2.967 1244 2HD1 ILE 166 HD12 ILE 166 27.915 3.238 3.238 1245 3HD1 ILE 166 HD11 ILE 166 27.981 4.612 4.612 1246 HA PRO 167 HA PRO 167 25.072 3.650 3.650 1247 1HB PRO 167 HB1 PRO 167 24.465 0.882 0.882 1248 2HB PRO 167 HB2 PRO 167 23.918 2.422 2.422 1249 1HG PRO 167 HG1 PRO 167 22.263 0.877 0.877 1250 2HG PRO 167 HG2 PRO 167 22.213 2.644 2.644 1251 1HD PRO 167 HD2 PRO 167 23.394 0.622 0.622 1252 2HD PRO 167 HD1 PRO 167 22.512 2.118 2.118 1253 H MET 168 HN MET 168 27.233 3.540 3.540 1254 HA MET 168 HA MET 168 28.825 1.185 1.185 1255 1HB MET 168 HB2 MET 168 28.951 3.308 3.308 1256 2HB MET 168 HB1 MET 168 30.474 3.206 3.206 1257 1HG MET 168 HG1 MET 168 30.158 0.625 0.625 1258 2HG MET 168 HG2 MET 168 29.202 1.262 1.262 1259 1HE MET 168 HE2 MET 168 31.032 -0.179 -0.179 1260 2HE MET 168 HE1 MET 168 30.299 1.249 1.249 1261 3HE MET 168 HE3 MET 168 32.027 0.951 0.951 Start of MODEL 12 1 1H GLY 1 HT3 GLY 1 -27.477 -13.114 -13.114 2 2H GLY 1 HT2 GLY 1 -25.899 -13.084 -13.084 3 3H GLY 1 HT1 GLY 1 -27.181 -12.510 -12.510 4 1HA GLY 1 HA1 GLY 1 -27.993 -14.598 -14.598 5 2HA GLY 1 HA2 GLY 1 -26.252 -14.831 -14.831 6 H SER 2 HN SER 2 -25.229 -15.877 -15.877 7 HA SER 2 HA SER 2 -26.891 -17.882 -17.882 8 1HB SER 2 HB1 SER 2 -24.646 -18.431 -18.431 9 2HB SER 2 HB2 SER 2 -23.925 -17.363 -17.363 10 HG SER 2 HG SER 2 -25.461 -18.936 -18.936 11 H MET 3 HN MET 3 -25.871 -14.776 -14.776 12 HA MET 3 HA MET 3 -25.784 -15.198 -15.198 13 1HB MET 3 HB2 MET 3 -24.571 -13.378 -13.378 14 2HB MET 3 HB1 MET 3 -26.058 -12.481 -12.481 15 1HG MET 3 HG1 MET 3 -25.545 -13.197 -13.197 16 2HG MET 3 HG2 MET 3 -23.899 -13.217 -13.217 17 1HE MET 3 HE2 MET 3 -22.550 -11.687 -11.687 18 2HE MET 3 HE1 MET 3 -22.894 -10.132 -10.132 19 3HE MET 3 HE3 MET 3 -22.654 -10.231 -10.231 20 H LEU 4 HN LEU 4 -27.322 -14.595 -14.595 21 HA LEU 4 HA LEU 4 -29.900 -13.640 -13.640 22 1HB LEU 4 HB2 LEU 4 -30.072 -15.568 -15.568 23 2HB LEU 4 HB1 LEU 4 -31.094 -15.381 -15.381 24 HG LEU 4 HG LEU 4 -28.925 -16.400 -16.400 25 1HD1 LEU 4 HD11 LEU 4 -28.718 -17.140 -17.140 26 2HD1 LEU 4 HD13 LEU 4 -28.306 -18.344 -18.344 27 3HD1 LEU 4 HD12 LEU 4 -27.448 -16.804 -16.804 28 1HD2 LEU 4 HD21 LEU 4 -31.311 -17.643 -17.643 29 2HD2 LEU 4 HD23 LEU 4 -30.869 -17.512 -17.512 30 3HD2 LEU 4 HD22 LEU 4 -30.070 -18.701 -18.701 31 H LEU 5 HN LEU 5 -28.174 -14.437 -14.437 32 HA LEU 5 HA LEU 5 -29.610 -12.420 -12.420 33 1HB LEU 5 HB2 LEU 5 -27.788 -14.610 -14.610 34 2HB LEU 5 HB1 LEU 5 -27.440 -13.179 -13.179 35 HG LEU 5 HG LEU 5 -28.987 -14.816 -14.816 36 1HD1 LEU 5 HD23 LEU 5 -29.696 -11.960 -11.960 37 2HD1 LEU 5 HD22 LEU 5 -30.770 -12.973 -12.973 38 3HD1 LEU 5 HD21 LEU 5 -29.097 -12.735 -12.735 39 1HD2 LEU 5 HD13 LEU 5 -30.273 -14.714 -14.714 40 2HD2 LEU 5 HD12 LEU 5 -30.769 -15.605 -15.605 41 3HD2 LEU 5 HD11 LEU 5 -31.374 -13.973 -13.973 42 H GLU 6 HN GLU 6 -27.923 -11.152 -11.152 43 HA GLU 6 HA GLU 6 -25.664 -10.044 -10.044 44 1HB GLU 6 HB2 GLU 6 -27.718 -8.901 -8.901 45 2HB GLU 6 HB1 GLU 6 -27.938 -8.149 -8.149 46 1HG GLU 6 HG1 GLU 6 -25.581 -7.844 -7.844 47 2HG GLU 6 HG2 GLU 6 -26.792 -6.625 -6.625 48 H GLU 7 HN GLU 7 -25.728 -11.332 -11.332 49 HA GLU 7 HA GLU 7 -26.195 -9.978 -9.978 50 1HB GLU 7 HB1 GLU 7 -23.712 -11.627 -11.627 51 2HB GLU 7 HB2 GLU 7 -24.586 -11.391 -11.391 52 1HG GLU 7 HG2 GLU 7 -26.428 -12.461 -12.461 53 2HG GLU 7 HG1 GLU 7 -24.941 -13.393 -13.393 54 H VAL 8 HN VAL 8 -23.753 -9.361 -9.361 55 HA VAL 8 HA VAL 8 -21.805 -8.015 -8.015 56 HB VAL 8 HB VAL 8 -22.957 -7.382 -7.382 57 1HG1 VAL 8 HG12 VAL 8 -20.743 -6.094 -6.094 58 2HG1 VAL 8 HG11 VAL 8 -20.589 -6.278 -6.278 59 3HG1 VAL 8 HG13 VAL 8 -21.944 -5.373 -5.373 60 1HG2 VAL 8 HG21 VAL 8 -21.419 -9.507 -9.507 61 2HG2 VAL 8 HG23 VAL 8 -21.630 -8.989 -8.989 62 3HG2 VAL 8 HG22 VAL 8 -20.250 -8.413 -8.413 63 H CYS 9 HN CYS 9 -24.472 -6.322 -6.322 64 HA CYS 9 HA CYS 9 -25.224 -4.161 -4.161 65 1HB CYS 9 HB1 CYS 9 -26.197 -6.004 -6.004 66 2HB CYS 9 HB2 CYS 9 -25.776 -4.598 -4.598 67 HG CYS 9 HG CYS 9 -27.498 -3.875 -3.875 68 H VAL 10 HN VAL 10 -23.416 -2.877 -2.877 69 HA VAL 10 HA VAL 10 -22.422 -0.946 -0.946 70 HB VAL 10 HB VAL 10 -22.052 -2.645 -2.645 71 1HG1 VAL 10 HG13 VAL 10 -20.801 -0.208 -0.208 72 2HG1 VAL 10 HG12 VAL 10 -21.651 0.028 0.028 73 3HG1 VAL 10 HG11 VAL 10 -20.418 -1.227 -1.227 74 1HG2 VAL 10 HG21 VAL 10 -24.284 -1.125 -1.125 75 2HG2 VAL 10 HG23 VAL 10 -24.083 -1.993 -1.993 76 3HG2 VAL 10 HG22 VAL 10 -23.575 -0.308 -0.308 77 H GLY 11 HN GLY 11 -21.273 -4.247 -4.247 78 1HA GLY 11 HA2 GLY 11 -18.509 -3.658 -3.658 79 2HA GLY 11 HA1 GLY 11 -19.233 -5.223 -5.223 80 H ASP 12 HN ASP 12 -20.797 -3.441 -3.441 81 HA ASP 12 HA ASP 12 -18.703 -3.693 -3.693 82 1HB ASP 12 HB1 ASP 12 -20.541 -5.361 -5.361 83 2HB ASP 12 HB2 ASP 12 -20.417 -4.296 -4.296 84 H ARG 13 HN ARG 13 -19.734 -1.394 -1.394 85 HA ARG 13 HA ARG 13 -20.239 0.478 0.478 86 1HB ARG 13 HB1 ARG 13 -22.066 -0.021 -0.021 87 2HB ARG 13 HB2 ARG 13 -21.125 1.178 1.178 88 1HG ARG 13 HG2 ARG 13 -22.647 2.536 2.536 89 2HG ARG 13 HG1 ARG 13 -21.392 2.531 2.531 90 1HD ARG 13 HD2 ARG 13 -22.612 0.645 0.645 91 2HD ARG 13 HD1 ARG 13 -23.915 0.885 0.885 92 HE ARG 13 HE ARG 13 -24.607 2.680 2.680 93 1HH1 ARG 13 HH21 ARG 13 -21.301 1.971 1.971 94 2HH1 ARG 13 HH22 ARG 13 -21.235 3.137 3.137 95 1HH2 ARG 13 HH11 ARG 13 -24.533 4.221 4.221 96 2HH2 ARG 13 HH12 ARG 13 -23.073 4.415 4.415 97 H LEU 14 HN LEU 14 -19.031 0.310 0.310 98 HA LEU 14 HA LEU 14 -17.529 2.715 2.715 99 1HB LEU 14 HB2 LEU 14 -17.931 2.305 2.305 100 2HB LEU 14 HB1 LEU 14 -17.899 0.567 0.567 101 HG LEU 14 HG LEU 14 -15.366 0.771 0.771 102 1HD1 LEU 14 HD22 LEU 14 -15.527 3.287 3.287 103 2HD1 LEU 14 HD21 LEU 14 -15.785 3.420 3.420 104 3HD1 LEU 14 HD23 LEU 14 -14.290 2.720 2.720 105 1HD2 LEU 14 HD13 LEU 14 -16.807 1.465 1.465 106 2HD2 LEU 14 HD12 LEU 14 -16.374 -0.141 -0.141 107 3HD2 LEU 14 HD11 LEU 14 -15.112 0.984 0.984 108 H SER 15 HN SER 15 -16.691 -0.720 -0.720 109 HA SER 15 HA SER 15 -13.928 -0.482 -0.482 110 1HB SER 15 HB2 SER 15 -14.362 -2.600 -2.600 111 2HB SER 15 HB1 SER 15 -14.494 -2.691 -2.691 112 HG SER 15 HG SER 15 -16.686 -2.076 -2.076 113 H GLY 16 HN GLY 16 -16.441 0.099 0.099 114 1HA GLY 16 HA1 GLY 16 -14.716 0.168 0.168 115 2HA GLY 16 HA2 GLY 16 -16.361 0.780 0.780 116 H ALA 17 HN ALA 17 -16.316 2.755 2.755 117 HA ALA 17 HA ALA 17 -15.182 4.905 4.905 118 1HB ALA 17 HB2 ALA 17 -17.063 4.848 4.848 119 2HB ALA 17 HB1 ALA 17 -15.748 5.063 5.063 120 3HB ALA 17 HB3 ALA 17 -16.022 6.267 6.267 121 H ALA 18 HN ALA 18 -14.149 3.564 3.564 122 HA ALA 18 HA ALA 18 -11.844 5.070 5.070 123 1HB ALA 18 HB3 ALA 18 -12.806 3.664 3.664 124 2HB ALA 18 HB2 ALA 18 -12.281 2.222 2.222 125 3HB ALA 18 HB1 ALA 18 -11.085 3.347 3.347 126 H ALA 19 HN ALA 19 -12.315 2.021 2.021 127 HA ALA 19 HA ALA 19 -9.558 1.674 1.674 128 1HB ALA 19 HB1 ALA 19 -11.228 -0.171 -0.171 129 2HB ALA 19 HB3 ALA 19 -11.933 0.420 0.420 130 3HB ALA 19 HB2 ALA 19 -10.271 -0.171 -0.171 131 H ARG 20 HN ARG 20 -12.239 3.344 3.344 132 HA ARG 20 HA ARG 20 -11.052 3.577 3.577 133 1HB ARG 20 HB2 ARG 20 -12.994 4.558 4.558 134 2HB ARG 20 HB1 ARG 20 -13.569 3.925 3.925 135 1HG ARG 20 HG1 ARG 20 -13.305 6.040 6.040 136 2HG ARG 20 HG2 ARG 20 -12.457 6.699 6.699 137 1HD ARG 20 HD2 ARG 20 -14.793 5.847 5.847 138 2HD ARG 20 HD1 ARG 20 -15.329 6.364 6.364 139 HE ARG 20 HE ARG 20 -14.868 8.544 8.544 140 1HH1 ARG 20 HH21 ARG 20 -13.553 6.387 6.387 141 2HH1 ARG 20 HH22 ARG 20 -13.183 7.651 7.651 142 1HH2 ARG 20 HH11 ARG 20 -14.382 10.220 10.220 143 2HH2 ARG 20 HH12 ARG 20 -13.655 9.832 9.832 144 H GLY 21 HN GLY 21 -10.047 4.821 4.821 145 1HA GLY 21 HA1 GLY 21 -8.751 6.612 6.612 146 2HA GLY 21 HA2 GLY 21 -8.148 6.533 6.533 147 H ASP 22 HN ASP 22 -10.704 7.892 7.892 148 HA ASP 22 HA ASP 22 -10.585 10.364 10.364 149 1HB ASP 22 HB1 ASP 22 -13.367 9.510 9.510 150 2HB ASP 22 HB2 ASP 22 -12.475 8.524 8.524 151 H VAL 23 HN VAL 23 -9.957 11.463 11.463 152 HA VAL 23 HA VAL 23 -10.849 11.128 11.128 153 HB VAL 23 HB VAL 23 -8.971 12.524 12.524 154 1HG1 VAL 23 HG13 VAL 23 -10.741 14.172 14.172 155 2HG1 VAL 23 HG12 VAL 23 -9.172 14.725 14.725 156 3HG1 VAL 23 HG11 VAL 23 -9.276 13.291 13.291 157 1HG2 VAL 23 HG22 VAL 23 -10.914 13.226 13.226 158 2HG2 VAL 23 HG21 VAL 23 -9.429 14.164 14.164 159 3HG2 VAL 23 HG23 VAL 23 -10.893 14.678 14.678 160 H GLN 24 HN GLN 24 -12.441 12.605 12.605 161 HA GLN 24 HA GLN 24 -14.336 14.123 14.123 162 1HB GLN 24 HB2 GLN 24 -13.748 13.601 13.601 163 2HB GLN 24 HB1 GLN 24 -15.479 13.603 13.603 164 1HG GLN 24 HG2 GLN 24 -15.378 15.808 15.808 165 2HG GLN 24 HG1 GLN 24 -14.586 15.818 15.818 166 1HE2 GLN 24 HE22 GLN 24 -12.662 17.341 17.341 167 2HE2 GLN 24 HE21 GLN 24 -14.373 17.192 17.192 168 H GLU 25 HN GLU 25 -14.499 11.035 11.035 169 HA GLU 25 HA GLU 25 -17.169 10.476 10.476 170 1HB GLU 25 HB2 GLU 25 -15.214 9.312 9.312 171 2HB GLU 25 HB1 GLU 25 -15.909 8.062 8.062 172 1HG GLU 25 HG1 GLU 25 -18.064 9.623 9.623 173 2HG GLU 25 HG2 GLU 25 -17.032 9.403 9.403 174 H VAL 26 HN VAL 26 -13.968 9.471 9.471 175 HA VAL 26 HA VAL 26 -14.665 7.449 7.449 176 HB VAL 26 HB VAL 26 -12.321 8.209 8.209 177 1HG1 VAL 26 HG11 VAL 26 -12.959 10.277 10.277 178 2HG1 VAL 26 HG13 VAL 26 -11.340 9.910 9.910 179 3HG1 VAL 26 HG12 VAL 26 -12.552 10.573 10.573 180 1HG2 VAL 26 HG22 VAL 26 -13.390 7.120 7.120 181 2HG2 VAL 26 HG21 VAL 26 -11.874 6.740 6.740 182 3HG2 VAL 26 HG23 VAL 26 -11.937 8.054 8.054 183 H ARG 27 HN ARG 27 -14.708 10.945 10.945 184 HA ARG 27 HA ARG 27 -15.484 10.748 10.748 185 1HB ARG 27 HB2 ARG 27 -15.504 13.021 13.021 186 2HB ARG 27 HB1 ARG 27 -16.045 13.209 13.209 187 1HG ARG 27 HG2 ARG 27 -13.889 12.764 12.764 188 2HG ARG 27 HG1 ARG 27 -13.312 12.189 12.189 189 1HD ARG 27 HD1 ARG 27 -12.437 14.378 14.378 190 2HD ARG 27 HD2 ARG 27 -13.717 14.490 14.490 191 HE ARG 27 HE ARG 27 -14.917 15.810 15.810 192 1HH1 ARG 27 HH11 ARG 27 -12.342 14.249 14.249 193 2HH1 ARG 27 HH12 ARG 27 -12.591 15.167 15.167 194 1HH2 ARG 27 HH21 ARG 27 -15.255 17.025 17.025 195 2HH2 ARG 27 HH22 ARG 27 -14.247 16.746 16.746 196 H ARG 28 HN ARG 28 -17.241 11.598 11.598 197 HA ARG 28 HA ARG 28 -19.748 12.029 12.029 198 1HB ARG 28 HB2 ARG 28 -19.126 10.710 10.710 199 2HB ARG 28 HB1 ARG 28 -20.646 11.477 11.477 200 1HG ARG 28 HG1 ARG 28 -18.516 13.331 13.331 201 2HG ARG 28 HG2 ARG 28 -18.389 12.645 12.645 202 1HD ARG 28 HD1 ARG 28 -19.831 14.744 14.744 203 2HD ARG 28 HD2 ARG 28 -20.498 13.409 13.409 204 HE ARG 28 HE ARG 28 -21.178 13.377 13.377 205 1HH1 ARG 28 HH11 ARG 28 -22.073 14.443 14.443 206 2HH1 ARG 28 HH12 ARG 28 -23.751 14.620 14.620 207 1HH2 ARG 28 HH21 ARG 28 -23.386 13.605 13.605 208 2HH2 ARG 28 HH22 ARG 28 -24.498 14.146 14.146 209 H LEU 29 HN LEU 29 -18.075 9.032 9.032 210 HA LEU 29 HA LEU 29 -20.359 7.348 7.348 211 1HB LEU 29 HB2 LEU 29 -17.394 6.860 6.860 212 2HB LEU 29 HB1 LEU 29 -18.542 5.574 5.574 213 HG LEU 29 HG LEU 29 -17.527 6.268 6.268 214 1HD1 LEU 29 HD22 LEU 29 -19.193 4.342 4.342 215 2HD1 LEU 29 HD21 LEU 29 -20.107 5.002 5.002 216 3HD1 LEU 29 HD23 LEU 29 -18.495 4.337 4.337 217 1HD2 LEU 29 HD12 LEU 29 -18.923 8.307 8.307 218 2HD2 LEU 29 HD11 LEU 29 -19.322 7.186 7.186 219 3HD2 LEU 29 HD13 LEU 29 -20.359 7.290 7.290 220 H LEU 30 HN LEU 30 -17.472 7.372 7.372 221 HA LEU 30 HA LEU 30 -18.953 6.397 6.397 222 1HB LEU 30 HB1 LEU 30 -16.164 7.534 7.534 223 2HB LEU 30 HB2 LEU 30 -16.875 6.437 6.437 224 HG LEU 30 HG LEU 30 -16.708 5.516 5.516 225 1HD1 LEU 30 HD11 LEU 30 -14.337 5.625 5.625 226 2HD1 LEU 30 HD13 LEU 30 -14.404 4.760 4.760 227 3HD1 LEU 30 HD12 LEU 30 -14.519 6.520 6.520 228 1HD2 LEU 30 HD22 LEU 30 -17.336 4.410 4.410 229 2HD2 LEU 30 HD21 LEU 30 -17.205 3.577 3.577 230 3HD2 LEU 30 HD23 LEU 30 -15.801 3.694 3.694 231 H HIS 31 HN HIS 31 -17.522 9.536 9.536 232 HA HIS 31 HA HIS 31 -18.122 10.783 10.783 233 1HB HIS 31 HB2 HIS 31 -16.734 11.474 11.474 234 2HB HIS 31 HB1 HIS 31 -18.064 12.627 12.627 235 HD2 HIS 31 HD2 HIS 31 -14.627 12.117 12.117 236 HE1 HIS 31 HE1 HIS 31 -16.582 14.971 14.971 237 HE2 HIS 31 HE2 HIS 31 -14.338 14.009 14.009 238 H ARG 32 HN ARG 32 -20.233 9.689 9.689 239 HA ARG 32 HA ARG 32 -22.364 11.326 11.326 240 1HB ARG 32 HB1 ARG 32 -21.820 12.691 12.691 241 2HB ARG 32 HB2 ARG 32 -21.657 11.303 11.303 242 1HG ARG 32 HG2 ARG 32 -23.693 12.102 12.102 243 2HG ARG 32 HG1 ARG 32 -24.183 10.942 10.942 244 1HD ARG 32 HD1 ARG 32 -24.731 12.581 12.581 245 2HD ARG 32 HD2 ARG 32 -23.627 13.756 13.756 246 HE ARG 32 HE ARG 32 -25.558 13.305 13.305 247 1HH1 ARG 32 HH21 ARG 32 -25.478 14.434 14.434 248 2HH1 ARG 32 HH22 ARG 32 -26.870 15.449 15.449 249 1HH2 ARG 32 HH11 ARG 32 -27.396 14.635 14.635 250 2HH2 ARG 32 HH12 ARG 32 -27.962 15.561 15.561 251 H GLU 33 HN GLU 33 -22.241 9.317 9.317 252 HA GLU 33 HA GLU 33 -24.581 7.986 7.986 253 1HB GLU 33 HB2 GLU 33 -23.441 7.505 7.505 254 2HB GLU 33 HB1 GLU 33 -21.945 7.124 7.124 255 1HG GLU 33 HG1 GLU 33 -23.794 5.233 5.233 256 2HG GLU 33 HG2 GLU 33 -24.065 5.383 5.383 257 H LEU 34 HN LEU 34 -21.720 7.518 7.518 258 HA LEU 34 HA LEU 34 -21.339 6.331 6.331 259 1HB LEU 34 HB1 LEU 34 -24.017 6.973 6.973 260 2HB LEU 34 HB2 LEU 34 -24.028 5.234 5.234 261 HG LEU 34 HG LEU 34 -22.627 5.396 5.396 262 1HD1 LEU 34 HD22 LEU 34 -21.915 7.929 7.929 263 2HD1 LEU 34 HD21 LEU 34 -22.433 8.139 8.139 264 3HD1 LEU 34 HD23 LEU 34 -21.124 7.021 7.021 265 1HD2 LEU 34 HD13 LEU 34 -25.198 6.273 6.273 266 2HD2 LEU 34 HD12 LEU 34 -24.282 6.033 6.033 267 3HD2 LEU 34 HD11 LEU 34 -24.393 7.641 7.641 268 H VAL 35 HN VAL 35 -20.091 4.855 4.855 269 HA VAL 35 HA VAL 35 -21.430 2.288 2.288 270 HB VAL 35 HB VAL 35 -18.878 2.230 2.230 271 1HG1 VAL 35 HG22 VAL 35 -21.428 1.546 1.546 272 2HG1 VAL 35 HG21 VAL 35 -21.121 2.866 2.866 273 3HG1 VAL 35 HG23 VAL 35 -20.054 1.461 1.461 274 1HG2 VAL 35 HG12 VAL 35 -18.921 4.726 4.726 275 2HG2 VAL 35 HG11 VAL 35 -18.740 4.144 4.144 276 3HG2 VAL 35 HG13 VAL 35 -20.301 4.744 4.744 277 H HIS 36 HN HIS 36 -20.753 0.480 0.480 278 HA HIS 36 HA HIS 36 -19.044 0.707 0.707 279 1HB HIS 36 HB2 HIS 36 -21.022 -1.047 -1.047 280 2HB HIS 36 HB1 HIS 36 -19.559 -2.020 -2.020 281 HD2 HIS 36 HD2 HIS 36 -21.213 0.248 0.248 282 HE1 HIS 36 HE1 HIS 36 -19.242 -3.057 -3.057 283 HE2 HIS 36 HE2 HIS 36 -20.504 -0.905 -0.905 284 HA PRO 37 HA PRO 37 -15.199 0.010 0.010 285 1HB PRO 37 HB2 PRO 37 -13.664 -0.382 -0.382 286 2HB PRO 37 HB1 PRO 37 -14.213 1.215 1.215 287 1HG PRO 37 HG1 PRO 37 -15.333 -0.578 -0.578 288 2HG PRO 37 HG2 PRO 37 -15.074 1.176 1.176 289 1HD PRO 37 HD1 PRO 37 -17.504 0.071 0.071 290 2HD PRO 37 HD2 PRO 37 -17.004 1.614 1.614 291 H ASP 38 HN ASP 38 -16.822 -2.228 -2.228 292 HA ASP 38 HA ASP 38 -14.923 -4.375 -4.375 293 1HB ASP 38 HB2 ASP 38 -16.581 -3.944 -3.944 294 2HB ASP 38 HB1 ASP 38 -17.705 -4.842 -4.842 295 H ALA 39 HN ALA 39 -17.848 -3.204 -3.204 296 HA ALA 39 HA ALA 39 -18.905 -5.340 -5.340 297 1HB ALA 39 HB3 ALA 39 -19.449 -2.790 -2.790 298 2HB ALA 39 HB2 ALA 39 -18.434 -2.855 -2.855 299 3HB ALA 39 HB1 ALA 39 -19.876 -3.864 -3.864 300 H LEU 40 HN LEU 40 -18.633 -6.195 -6.195 301 HA LEU 40 HA LEU 40 -15.977 -5.879 -5.879 302 1HB LEU 40 HB2 LEU 40 -17.114 -8.599 -8.599 303 2HB LEU 40 HB1 LEU 40 -15.541 -8.237 -8.237 304 HG LEU 40 HG LEU 40 -15.184 -6.948 -6.948 305 1HD1 LEU 40 HD22 LEU 40 -17.505 -7.236 -7.236 306 2HD1 LEU 40 HD21 LEU 40 -17.263 -8.984 -8.984 307 3HD1 LEU 40 HD23 LEU 40 -16.342 -7.948 -7.948 308 1HD2 LEU 40 HD13 LEU 40 -14.107 -9.101 -9.101 309 2HD2 LEU 40 HD12 LEU 40 -13.984 -8.767 -8.767 310 3HD2 LEU 40 HD11 LEU 40 -15.168 -9.933 -9.933 311 H ASN 41 HN ASN 41 -15.878 -6.228 -6.228 312 HA ASN 41 HA ASN 41 -18.332 -6.089 -6.089 313 1HB ASN 41 HB2 ASN 41 -16.800 -6.244 -6.244 314 2HB ASN 41 HB1 ASN 41 -16.475 -4.912 -4.912 315 1HD2 ASN 41 HD22 ASN 41 -13.166 -6.050 -6.050 316 2HD2 ASN 41 HD21 ASN 41 -14.394 -5.002 -5.002 317 H ARG 42 HN ARG 42 -18.682 -7.560 -7.560 318 HA ARG 42 HA ARG 42 -19.482 -10.037 -10.037 319 1HB ARG 42 HB1 ARG 42 -19.653 -8.787 -8.787 320 2HB ARG 42 HB2 ARG 42 -18.192 -9.674 -9.674 321 1HG ARG 42 HG1 ARG 42 -20.389 -11.285 -11.285 322 2HG ARG 42 HG2 ARG 42 -20.682 -10.570 -10.570 323 1HD ARG 42 HD2 ARG 42 -18.656 -11.584 -11.584 324 2HD ARG 42 HD1 ARG 42 -18.279 -12.238 -12.238 325 HE ARG 42 HE ARG 42 -20.695 -13.300 -13.300 326 1HH1 ARG 42 HH21 ARG 42 -17.796 -13.117 -13.117 327 2HH1 ARG 42 HH22 ARG 42 -18.107 -14.597 -14.597 328 1HH2 ARG 42 HH11 ARG 42 -21.116 -15.247 -15.247 329 2HH2 ARG 42 HH12 ARG 42 -19.995 -15.808 -15.808 330 H PHE 43 HN PHE 43 -16.208 -9.099 -9.099 331 HA PHE 43 HA PHE 43 -15.088 -11.661 -11.661 332 1HB PHE 43 HB2 PHE 43 -13.689 -9.191 -9.191 333 2HB PHE 43 HB1 PHE 43 -12.947 -10.584 -10.584 334 HD1 PHE 43 HD2 PHE 43 -15.394 -10.680 -10.680 335 HD2 PHE 43 HD1 PHE 43 -12.557 -7.733 -7.733 336 HE1 PHE 43 HE2 PHE 43 -15.621 -9.574 -9.574 337 HE2 PHE 43 HE1 PHE 43 -12.779 -6.621 -6.621 338 HZ PHE 43 HZ PHE 43 -14.308 -7.539 -7.539 339 H GLY 44 HN GLY 44 -15.149 -9.468 -9.468 340 1HA GLY 44 HA1 GLY 44 -15.777 -10.502 -10.502 341 2HA GLY 44 HA2 GLY 44 -14.739 -11.848 -11.848 342 H LYS 45 HN LYS 45 -13.934 -8.467 -8.467 343 HA LYS 45 HA LYS 45 -11.733 -8.786 -8.786 344 1HB LYS 45 HB2 LYS 45 -11.948 -7.013 -7.013 345 2HB LYS 45 HB1 LYS 45 -10.607 -6.979 -6.979 346 1HG LYS 45 HG2 LYS 45 -9.817 -9.050 -9.050 347 2HG LYS 45 HG1 LYS 45 -11.369 -9.531 -9.531 348 1HD LYS 45 HD2 LYS 45 -10.572 -8.921 -8.921 349 2HD LYS 45 HD1 LYS 45 -10.645 -7.251 -7.251 350 1HE LYS 45 HE2 LYS 45 -8.412 -7.113 -7.113 351 2HE LYS 45 HE1 LYS 45 -8.277 -8.781 -8.781 352 1HZ LYS 45 HZ3 LYS 45 -8.619 -9.451 -9.451 353 2HZ LYS 45 HZ2 LYS 45 -8.451 -7.824 -7.824 354 3HZ LYS 45 HZ1 LYS 45 -7.165 -8.641 -8.641 355 H THR 46 HN THR 46 -10.958 -6.603 -6.603 356 HA THR 46 HA THR 46 -13.311 -5.219 -5.219 357 HB THR 46 HB THR 46 -11.429 -4.253 -4.253 358 HG1 THR 46 HG1 THR 46 -10.245 -6.672 -6.672 359 1HG2 THR 46 HG23 THR 46 -12.374 -7.102 -7.102 360 2HG2 THR 46 HG22 THR 46 -11.577 -6.217 -6.217 361 3HG2 THR 46 HG21 THR 46 -13.144 -5.677 -5.677 362 H ALA 47 HN ALA 47 -13.014 -2.846 -2.846 363 HA ALA 47 HA ALA 47 -12.633 -1.433 -1.433 364 1HB ALA 47 HB3 ALA 47 -14.002 -0.691 -0.691 365 2HB ALA 47 HB2 ALA 47 -12.502 -0.271 -0.271 366 3HB ALA 47 HB1 ALA 47 -12.950 0.559 0.559 367 H LEU 48 HN LEU 48 -10.500 -1.747 -1.747 368 HA LEU 48 HA LEU 48 -8.454 -0.064 -0.064 369 1HB LEU 48 HB1 LEU 48 -8.931 -1.200 -1.200 370 2HB LEU 48 HB2 LEU 48 -7.764 -2.356 -2.356 371 HG LEU 48 HG LEU 48 -6.356 -0.932 -0.932 372 1HD1 LEU 48 HD22 LEU 48 -5.774 -0.961 -0.961 373 2HD1 LEU 48 HD21 LEU 48 -6.630 0.570 0.570 374 3HD1 LEU 48 HD23 LEU 48 -5.206 0.472 0.472 375 1HD2 LEU 48 HD11 LEU 48 -8.256 0.567 0.567 376 2HD2 LEU 48 HD13 LEU 48 -6.711 1.379 1.379 377 3HD2 LEU 48 HD12 LEU 48 -7.970 1.470 1.470 378 H GLN 49 HN GLN 49 -9.144 -3.473 -3.473 379 HA GLN 49 HA GLN 49 -6.633 -4.122 -4.122 380 1HB GLN 49 HB2 GLN 49 -8.199 -5.753 -5.753 381 2HB GLN 49 HB1 GLN 49 -9.238 -5.620 -5.620 382 1HG GLN 49 HG1 GLN 49 -8.078 -7.248 -7.248 383 2HG GLN 49 HG2 GLN 49 -6.686 -6.167 -6.167 384 1HE2 GLN 49 HE22 GLN 49 -4.883 -8.319 -8.319 385 2HE2 GLN 49 HE21 GLN 49 -4.988 -7.315 -7.315 386 H VAL 50 HN VAL 50 -9.874 -3.433 -3.433 387 HA VAL 50 HA VAL 50 -9.129 -3.745 -3.745 388 HB VAL 50 HB VAL 50 -11.319 -2.610 -2.610 389 1HG1 VAL 50 HG11 VAL 50 -11.028 -5.077 -5.077 390 2HG1 VAL 50 HG13 VAL 50 -11.537 -4.872 -4.872 391 3HG1 VAL 50 HG12 VAL 50 -12.647 -4.478 -4.478 392 1HG2 VAL 50 HG21 VAL 50 -11.086 -2.062 -2.062 393 2HG2 VAL 50 HG23 VAL 50 -12.036 -1.244 -1.244 394 3HG2 VAL 50 HG22 VAL 50 -12.653 -2.712 -2.712 395 H MET 51 HN MET 51 -9.444 -0.974 -0.974 396 HA MET 51 HA MET 51 -9.423 1.197 1.197 397 1HB MET 51 HB2 MET 51 -8.039 2.342 2.342 398 2HB MET 51 HB1 MET 51 -9.114 1.228 1.228 399 1HG MET 51 HG1 MET 51 -7.307 0.517 0.517 400 2HG MET 51 HG2 MET 51 -6.873 -0.293 -0.293 401 1HE MET 51 HE3 MET 51 -7.229 3.246 3.246 402 2HE MET 51 HE2 MET 51 -5.845 3.224 3.224 403 3HE MET 51 HE1 MET 51 -5.724 4.039 4.039 404 H MET 52 HN MET 52 -7.966 2.449 2.449 405 HA MET 52 HA MET 52 -5.644 0.959 0.959 406 1HB MET 52 HB2 MET 52 -5.951 1.999 1.999 407 2HB MET 52 HB1 MET 52 -7.568 1.554 1.554 408 1HG MET 52 HG2 MET 52 -8.174 3.744 3.744 409 2HG MET 52 HG1 MET 52 -6.505 4.286 4.286 410 1HE MET 52 HE2 MET 52 -5.053 5.095 5.095 411 2HE MET 52 HE1 MET 52 -5.801 5.824 5.824 412 3HE MET 52 HE3 MET 52 -6.337 6.290 6.290 413 H PHE 53 HN PHE 53 -5.851 2.836 2.836 414 HA PHE 53 HA PHE 53 -4.712 4.579 4.579 415 1HB PHE 53 HB2 PHE 53 -2.670 3.521 3.521 416 2HB PHE 53 HB1 PHE 53 -2.300 4.774 4.774 417 HD1 PHE 53 HD2 PHE 53 -3.491 1.280 1.280 418 HD2 PHE 53 HD1 PHE 53 -1.710 4.215 4.215 419 HE1 PHE 53 HE2 PHE 53 -3.019 -0.461 -0.461 420 HE2 PHE 53 HE1 PHE 53 -1.238 2.474 2.474 421 HZ PHE 53 HZ PHE 53 -1.893 0.135 0.135 422 H GLY 54 HN GLY 54 -3.114 5.019 5.019 423 1HA GLY 54 HA2 GLY 54 -2.848 7.021 7.021 424 2HA GLY 54 HA1 GLY 54 -4.569 6.758 6.758 425 H SER 55 HN SER 55 -6.056 7.994 7.994 426 HA SER 55 HA SER 55 -5.365 10.598 10.598 427 1HB SER 55 HB2 SER 55 -7.613 10.575 10.575 428 2HB SER 55 HB1 SER 55 -7.756 8.906 8.906 429 HG SER 55 HG SER 55 -8.679 10.658 10.658 430 HA PRO 56 HA PRO 56 -3.874 10.242 10.242 431 1HB PRO 56 HB1 PRO 56 -4.032 12.799 12.799 432 2HB PRO 56 HB2 PRO 56 -2.938 12.289 12.289 433 1HG PRO 56 HG2 PRO 56 -5.513 13.753 13.753 434 2HG PRO 56 HG1 PRO 56 -4.100 13.831 13.831 435 1HD PRO 56 HD2 PRO 56 -6.492 12.367 12.367 436 2HD PRO 56 HD1 PRO 56 -5.005 12.295 12.295 437 H ALA 57 HN ALA 57 -6.754 12.362 12.362 438 HA ALA 57 HA ALA 57 -7.498 11.951 11.951 439 1HB ALA 57 HB2 ALA 57 -8.281 13.711 13.711 440 2HB ALA 57 HB1 ALA 57 -9.584 12.546 12.546 441 3HB ALA 57 HB3 ALA 57 -9.315 13.263 13.263 442 H VAL 58 HN VAL 58 -7.931 10.022 10.022 443 HA VAL 58 HA VAL 58 -10.200 8.552 8.552 444 HB VAL 58 HB VAL 58 -9.336 8.454 8.454 445 1HG1 VAL 58 HG22 VAL 58 -6.889 8.579 8.579 446 2HG1 VAL 58 HG21 VAL 58 -6.978 6.825 6.825 447 3HG1 VAL 58 HG23 VAL 58 -7.211 7.857 7.857 448 1HG2 VAL 58 HG12 VAL 58 -9.387 5.927 5.927 449 2HG2 VAL 58 HG11 VAL 58 -10.529 6.531 6.531 450 3HG2 VAL 58 HG13 VAL 58 -8.975 5.879 5.879 451 H ALA 59 HN ALA 59 -6.748 7.982 7.982 452 HA ALA 59 HA ALA 59 -7.028 5.501 5.501 453 1HB ALA 59 HB2 ALA 59 -4.895 7.594 7.594 454 2HB ALA 59 HB1 ALA 59 -4.764 6.235 6.235 455 3HB ALA 59 HB3 ALA 59 -4.864 5.944 5.944 456 H LEU 60 HN LEU 60 -6.753 8.790 8.790 457 HA LEU 60 HA LEU 60 -6.903 8.073 8.073 458 1HB LEU 60 HB1 LEU 60 -6.123 10.256 10.256 459 2HB LEU 60 HB2 LEU 60 -7.743 10.640 10.640 460 HG LEU 60 HG LEU 60 -8.237 11.508 11.508 461 1HD1 LEU 60 HD23 LEU 60 -7.514 8.780 8.780 462 2HD1 LEU 60 HD22 LEU 60 -7.793 10.067 10.067 463 3HD1 LEU 60 HD21 LEU 60 -9.067 9.616 9.616 464 1HD2 LEU 60 HD13 LEU 60 -5.575 11.697 11.697 465 2HD2 LEU 60 HD12 LEU 60 -6.520 12.335 12.335 466 3HD2 LEU 60 HD11 LEU 60 -5.722 10.769 10.769 467 H GLU 61 HN GLU 61 -9.448 9.165 9.165 468 HA GLU 61 HA GLU 61 -11.557 9.070 9.070 469 1HB GLU 61 HB1 GLU 61 -11.232 9.519 9.519 470 2HB GLU 61 HB2 GLU 61 -12.617 8.470 8.470 471 1HG GLU 61 HG2 GLU 61 -13.271 10.809 10.809 472 2HG GLU 61 HG1 GLU 61 -13.573 10.101 10.101 473 H LEU 62 HN LEU 62 -10.767 6.704 6.704 474 HA LEU 62 HA LEU 62 -12.648 4.798 4.798 475 1HB LEU 62 HB2 LEU 62 -12.015 3.728 3.728 476 2HB LEU 62 HB1 LEU 62 -10.946 5.084 5.084 477 HG LEU 62 HG LEU 62 -9.156 3.807 3.807 478 1HD1 LEU 62 HD21 LEU 62 -11.382 1.992 1.992 479 2HD1 LEU 62 HD23 LEU 62 -9.997 1.198 1.198 480 3HD1 LEU 62 HD22 LEU 62 -9.813 2.017 2.017 481 1HD2 LEU 62 HD11 LEU 62 -10.299 2.641 2.641 482 2HD2 LEU 62 HD13 LEU 62 -9.127 3.952 3.952 483 3HD2 LEU 62 HD12 LEU 62 -8.680 2.319 2.319 484 H LEU 63 HN LEU 63 -9.139 4.973 4.973 485 HA LEU 63 HA LEU 63 -9.015 2.641 2.641 486 1HB LEU 63 HB2 LEU 63 -6.833 3.199 3.199 487 2HB LEU 63 HB1 LEU 63 -7.116 4.072 4.072 488 HG LEU 63 HG LEU 63 -7.656 6.090 6.090 489 1HD1 LEU 63 HD11 LEU 63 -7.189 4.130 4.130 490 2HD1 LEU 63 HD13 LEU 63 -5.863 5.289 5.289 491 3HD1 LEU 63 HD12 LEU 63 -7.531 5.846 5.846 492 1HD2 LEU 63 HD22 LEU 63 -5.027 4.904 4.904 493 2HD2 LEU 63 HD21 LEU 63 -5.737 6.442 6.442 494 3HD2 LEU 63 HD23 LEU 63 -5.037 6.269 6.269 495 H LYS 64 HN LYS 64 -9.470 6.042 6.042 496 HA LYS 64 HA LYS 64 -9.451 5.646 5.646 497 1HB LYS 64 HB1 LYS 64 -9.241 7.858 7.858 498 2HB LYS 64 HB2 LYS 64 -10.936 7.768 7.768 499 1HG LYS 64 HG2 LYS 64 -11.549 7.693 7.693 500 2HG LYS 64 HG1 LYS 64 -9.844 7.873 7.873 501 1HD LYS 64 HD1 LYS 64 -10.632 10.052 10.052 502 2HD LYS 64 HD2 LYS 64 -9.945 9.983 9.983 503 1HE LYS 64 HE2 LYS 64 -12.314 11.014 11.014 504 2HE LYS 64 HE1 LYS 64 -12.000 10.004 10.004 505 1HZ LYS 64 HZ3 LYS 64 -13.144 8.958 8.958 506 2HZ LYS 64 HZ2 LYS 64 -14.089 9.484 9.484 507 3HZ LYS 64 HZ1 LYS 64 -13.047 8.167 8.167 508 H GLN 65 HN GLN 65 -11.938 5.248 5.248 509 HA GLN 65 HA GLN 65 -14.265 5.318 5.318 510 1HB GLN 65 HB2 GLN 65 -13.900 4.731 4.731 511 2HB GLN 65 HB1 GLN 65 -13.662 3.075 3.075 512 1HG GLN 65 HG2 GLN 65 -15.928 3.375 3.375 513 2HG GLN 65 HG1 GLN 65 -15.905 3.092 3.092 514 1HE2 GLN 65 HE22 GLN 65 -18.258 5.746 5.746 515 2HE2 GLN 65 HE21 GLN 65 -18.101 4.029 4.029 516 H GLY 66 HN GLY 66 -11.723 2.941 2.941 517 1HA GLY 66 HA1 GLY 66 -11.893 1.975 1.975 518 2HA GLY 66 HA2 GLY 66 -13.373 1.276 1.276 519 H ALA 67 HN ALA 67 -11.867 1.088 1.088 520 HA ALA 67 HA ALA 67 -11.235 -1.618 -1.618 521 1HB ALA 67 HB2 ALA 67 -11.713 -0.236 -0.236 522 2HB ALA 67 HB1 ALA 67 -10.038 0.308 0.308 523 3HB ALA 67 HB3 ALA 67 -10.400 -1.403 -1.403 524 H SER 68 HN SER 68 -9.230 -2.734 -2.734 525 HA SER 68 HA SER 68 -7.067 -1.330 -1.330 526 1HB SER 68 HB2 SER 68 -7.456 -4.318 -4.318 527 2HB SER 68 HB1 SER 68 -6.348 -3.474 -3.474 528 HG SER 68 HG SER 68 -8.490 -2.461 -2.461 529 HA PRO 69 HA PRO 69 -4.751 -1.539 -1.539 530 1HB PRO 69 HB2 PRO 69 -2.374 -0.711 -0.711 531 2HB PRO 69 HB1 PRO 69 -3.709 0.390 0.390 532 1HG PRO 69 HG1 PRO 69 -2.885 -0.814 -0.814 533 2HG PRO 69 HG2 PRO 69 -3.390 0.847 0.847 534 1HD PRO 69 HD1 PRO 69 -5.058 -0.969 -0.969 535 2HD PRO 69 HD2 PRO 69 -5.632 0.300 0.300 536 H ASN 70 HN ASN 70 -4.441 -3.513 -3.513 537 HA ASN 70 HA ASN 70 -2.154 -4.989 -4.989 538 1HB ASN 70 HB2 ASN 70 -3.584 -5.040 -5.040 539 2HB ASN 70 HB1 ASN 70 -2.484 -6.332 -6.332 540 1HD2 ASN 70 HD22 ASN 70 -0.991 -2.581 -2.581 541 2HD2 ASN 70 HD21 ASN 70 -2.611 -2.791 -2.791 542 H VAL 71 HN VAL 71 -3.802 -5.453 -5.453 543 HA VAL 71 HA VAL 71 -5.298 -7.900 -7.900 544 HB VAL 71 HB VAL 71 -6.708 -7.437 -7.437 545 1HG1 VAL 71 HG21 VAL 71 -6.615 -5.809 -5.809 546 2HG1 VAL 71 HG23 VAL 71 -7.572 -5.119 -5.119 547 3HG1 VAL 71 HG22 VAL 71 -7.945 -6.731 -6.731 548 1HG2 VAL 71 HG13 VAL 71 -5.102 -4.891 -4.891 549 2HG2 VAL 71 HG12 VAL 71 -5.284 -6.096 -6.096 550 3HG2 VAL 71 HG11 VAL 71 -6.653 -5.084 -5.084 551 H GLN 72 HN GLN 72 -4.607 -9.727 -9.727 552 HA GLN 72 HA GLN 72 -2.685 -9.567 -9.567 553 1HB GLN 72 HB2 GLN 72 -3.165 -12.038 -12.038 554 2HB GLN 72 HB1 GLN 72 -1.719 -11.553 -11.553 555 1HG GLN 72 HG1 GLN 72 -1.362 -9.759 -9.759 556 2HG GLN 72 HG2 GLN 72 -2.759 -10.352 -10.352 557 1HE2 GLN 72 HE22 GLN 72 0.572 -12.736 -12.736 558 2HE2 GLN 72 HE21 GLN 72 0.118 -11.775 -11.775 559 H ASP 73 HN ASP 73 -2.937 -10.792 -10.792 560 HA ASP 73 HA ASP 73 -5.533 -12.153 -12.153 561 1HB ASP 73 HB2 ASP 73 -4.089 -10.531 -10.531 562 2HB ASP 73 HB1 ASP 73 -5.495 -9.988 -9.988 563 H ALA 74 HN ALA 74 -5.354 -14.233 -14.233 564 HA ALA 74 HA ALA 74 -4.416 -16.251 -16.251 565 1HB ALA 74 HB3 ALA 74 -3.821 -14.493 -14.493 566 2HB ALA 74 HB2 ALA 74 -3.182 -16.137 -16.137 567 3HB ALA 74 HB1 ALA 74 -4.923 -15.865 -15.865 568 H SER 75 HN SER 75 -1.790 -14.633 -14.633 569 HA SER 75 HA SER 75 0.159 -16.064 -16.064 570 1HB SER 75 HB1 SER 75 1.575 -14.129 -14.129 571 2HB SER 75 HB2 SER 75 1.138 -15.706 -15.706 572 HG SER 75 HG SER 75 -0.279 -13.268 -13.268 573 H GLY 76 HN GLY 76 0.537 -12.624 -12.624 574 1HA GLY 76 HA2 GLY 76 0.103 -11.725 -11.725 575 2HA GLY 76 HA1 GLY 76 1.809 -12.082 -12.082 576 H THR 77 HN THR 77 -0.561 -10.685 -10.685 577 HA THR 77 HA THR 77 1.234 -8.373 -8.373 578 HB THR 77 HB THR 77 -0.875 -8.686 -8.686 579 HG1 THR 77 HG1 THR 77 0.084 -10.488 -10.488 580 1HG2 THR 77 HG21 THR 77 1.227 -7.224 -7.224 581 2HG2 THR 77 HG23 THR 77 2.073 -8.719 -8.719 582 3HG2 THR 77 HG22 THR 77 0.772 -8.131 -8.131 583 H SER 78 HN SER 78 0.340 -7.316 -7.316 584 HA SER 78 HA SER 78 -2.463 -6.594 -6.594 585 1HB SER 78 HB2 SER 78 -0.411 -5.434 -5.434 586 2HB SER 78 HB1 SER 78 -2.129 -5.715 -5.715 587 HG SER 78 HG SER 78 -0.254 -7.798 -7.798 588 HA PRO 79 HA PRO 79 -2.563 -2.620 -2.620 589 1HB PRO 79 HB1 PRO 79 -2.936 -1.404 -1.404 590 2HB PRO 79 HB2 PRO 79 -3.864 -1.151 -1.151 591 1HG PRO 79 HG2 PRO 79 -4.822 -2.690 -2.690 592 2HG PRO 79 HG1 PRO 79 -5.047 -3.132 -3.132 593 1HD PRO 79 HD2 PRO 79 -3.204 -4.287 -4.287 594 2HD PRO 79 HD1 PRO 79 -4.022 -5.077 -5.077 595 H VAL 80 HN VAL 80 -0.668 -2.831 -2.831 596 HA VAL 80 HA VAL 80 0.877 -0.544 -0.544 597 HB VAL 80 HB VAL 80 0.870 -2.847 -2.847 598 1HG1 VAL 80 HG13 VAL 80 2.810 -3.592 -3.592 599 2HG1 VAL 80 HG12 VAL 80 3.701 -2.213 -2.213 600 3HG1 VAL 80 HG11 VAL 80 3.128 -3.476 -3.476 601 1HG2 VAL 80 HG21 VAL 80 2.315 -0.216 -0.216 602 2HG2 VAL 80 HG23 VAL 80 0.799 -0.666 -0.666 603 3HG2 VAL 80 HG22 VAL 80 2.317 -1.379 -1.379 604 H HIS 81 HN HIS 81 1.370 -3.738 -3.738 605 HA HIS 81 HA HIS 81 3.879 -3.114 -3.114 606 1HB HIS 81 HB2 HIS 81 1.868 -5.252 -5.252 607 2HB HIS 81 HB1 HIS 81 3.531 -5.178 -5.178 608 HD2 HIS 81 HD2 HIS 81 5.060 -6.868 -6.868 609 HE1 HIS 81 HE1 HIS 81 3.018 -6.611 -6.611 610 HE2 HIS 81 HE2 HIS 81 5.045 -7.554 -7.554 611 H ASP 82 HN ASP 82 0.568 -3.256 -3.256 612 HA ASP 82 HA ASP 82 1.117 -2.618 -2.618 613 1HB ASP 82 HB1 ASP 82 -1.331 -1.349 -1.349 614 2HB ASP 82 HB2 ASP 82 -1.185 -2.922 -2.922 615 H ALA 83 HN ALA 83 0.290 -0.409 -0.409 616 HA ALA 83 HA ALA 83 0.331 1.982 1.982 617 1HB ALA 83 HB2 ALA 83 -0.020 1.291 1.291 618 2HB ALA 83 HB1 ALA 83 1.550 2.088 2.088 619 3HB ALA 83 HB3 ALA 83 0.158 2.952 2.952 620 H ALA 84 HN ALA 84 3.058 0.347 0.347 621 HA ALA 84 HA ALA 84 5.003 2.270 2.270 622 1HB ALA 84 HB1 ALA 84 5.276 0.561 0.561 623 2HB ALA 84 HB3 ALA 84 5.427 -0.671 -0.671 624 3HB ALA 84 HB2 ALA 84 6.633 0.610 0.610 625 H ARG 85 HN ARG 85 4.166 -0.832 -0.832 626 HA ARG 85 HA ARG 85 6.032 -0.595 -0.595 627 1HB ARG 85 HB1 ARG 85 4.716 -2.671 -2.671 628 2HB ARG 85 HB2 ARG 85 3.465 -2.129 -2.129 629 1HG ARG 85 HG1 ARG 85 4.535 -2.991 -2.991 630 2HG ARG 85 HG2 ARG 85 6.031 -2.161 -2.161 631 1HD ARG 85 HD2 ARG 85 6.838 -4.215 -4.215 632 2HD ARG 85 HD1 ARG 85 5.924 -4.136 -4.136 633 HE ARG 85 HE ARG 85 4.163 -5.086 -5.086 634 1HH1 ARG 85 HH21 ARG 85 7.242 -6.070 -6.070 635 2HH1 ARG 85 HH22 ARG 85 6.947 -7.761 -7.761 636 1HH2 ARG 85 HH11 ARG 85 3.762 -7.311 -7.311 637 2HH2 ARG 85 HH12 ARG 85 4.969 -8.466 -8.466 638 H THR 86 HN THR 86 2.660 0.374 0.374 639 HA THR 86 HA THR 86 2.249 1.072 1.072 640 HB THR 86 HB THR 86 0.292 2.349 2.349 641 HG1 THR 86 HG1 THR 86 0.895 1.367 1.367 642 1HG2 THR 86 HG21 THR 86 0.771 -0.491 -0.491 643 2HG2 THR 86 HG23 THR 86 -0.574 0.264 0.264 644 3HG2 THR 86 HG22 THR 86 -0.530 0.282 0.282 645 H GLY 87 HN GLY 87 3.711 2.708 2.708 646 1HA GLY 87 HA1 GLY 87 5.075 4.587 4.587 647 2HA GLY 87 HA2 GLY 87 4.663 4.798 4.798 648 H PHE 88 HN PHE 88 3.318 5.139 5.139 649 HA PHE 88 HA PHE 88 2.222 7.719 7.719 650 1HB PHE 88 HB2 PHE 88 0.506 5.326 5.326 651 2HB PHE 88 HB1 PHE 88 -0.049 6.937 6.937 652 HD1 PHE 88 HD1 PHE 88 1.044 8.504 8.504 653 HD2 PHE 88 HD2 PHE 88 -0.960 4.743 4.743 654 HE1 PHE 88 HE1 PHE 88 0.236 8.868 8.868 655 HE2 PHE 88 HE2 PHE 88 -1.771 5.099 5.099 656 HZ PHE 88 HZ PHE 88 -1.175 7.160 7.160 657 H LEU 89 HN LEU 89 4.181 7.600 7.600 658 HA LEU 89 HA LEU 89 3.849 6.909 6.909 659 1HB LEU 89 HB2 LEU 89 5.990 7.580 7.580 660 2HB LEU 89 HB1 LEU 89 5.399 9.203 9.203 661 HG LEU 89 HG LEU 89 5.166 9.562 9.562 662 1HD1 LEU 89 HD22 LEU 89 4.869 7.051 7.051 663 2HD1 LEU 89 HD21 LEU 89 6.632 6.984 6.984 664 3HD1 LEU 89 HD23 LEU 89 5.786 7.992 7.992 665 1HD2 LEU 89 HD11 LEU 89 7.248 10.153 10.153 666 2HD2 LEU 89 HD13 LEU 89 7.511 9.759 9.759 667 3HD2 LEU 89 HD12 LEU 89 7.915 8.582 8.582 668 H ASP 90 HN ASP 90 2.237 9.383 9.383 669 HA ASP 90 HA ASP 90 1.813 11.289 11.289 670 1HB ASP 90 HB2 ASP 90 -0.123 12.002 12.002 671 2HB ASP 90 HB1 ASP 90 -0.132 10.475 10.475 672 H THR 91 HN THR 91 -0.712 9.043 9.043 673 HA THR 91 HA THR 91 -2.053 9.196 9.196 674 HB THR 91 HB THR 91 -2.945 8.681 8.681 675 HG1 THR 91 HG1 THR 91 -4.816 8.331 8.331 676 1HG2 THR 91 HG22 THR 91 -2.475 5.962 5.962 677 2HG2 THR 91 HG21 THR 91 -3.746 6.287 6.287 678 3HG2 THR 91 HG23 THR 91 -2.058 6.553 6.553 679 H LEU 92 HN LEU 92 0.150 6.949 6.949 680 HA LEU 92 HA LEU 92 -0.193 4.699 4.699 681 1HB LEU 92 HB2 LEU 92 1.287 4.584 4.584 682 2HB LEU 92 HB1 LEU 92 2.274 5.898 5.898 683 HG LEU 92 HG LEU 92 2.056 3.260 3.260 684 1HD1 LEU 92 HD13 LEU 92 2.984 3.350 3.350 685 2HD1 LEU 92 HD12 LEU 92 4.442 3.844 3.844 686 3HD1 LEU 92 HD11 LEU 92 3.671 2.304 2.304 687 1HD2 LEU 92 HD22 LEU 92 3.580 5.754 5.754 688 2HD2 LEU 92 HD21 LEU 92 3.086 4.557 4.557 689 3HD2 LEU 92 HD23 LEU 92 4.506 4.265 4.265 690 H LYS 93 HN LYS 93 2.106 7.357 7.357 691 HA LYS 93 HA LYS 93 3.007 6.519 6.519 692 1HB LYS 93 HB1 LYS 93 3.962 8.649 8.649 693 2HB LYS 93 HB2 LYS 93 3.910 8.392 8.392 694 1HG LYS 93 HG1 LYS 93 2.154 9.898 9.898 695 2HG LYS 93 HG2 LYS 93 1.722 9.863 9.863 696 1HD LYS 93 HD1 LYS 93 2.819 11.872 11.872 697 2HD LYS 93 HD2 LYS 93 4.160 10.798 10.798 698 1HE LYS 93 HE2 LYS 93 5.192 11.184 11.184 699 2HE LYS 93 HE1 LYS 93 3.703 10.984 10.984 700 1HZ LYS 93 HZ3 LYS 93 3.750 13.422 13.422 701 2HZ LYS 93 HZ2 LYS 93 5.029 13.324 13.324 702 3HZ LYS 93 HZ1 LYS 93 3.433 13.171 13.171 703 H VAL 94 HN VAL 94 0.123 8.327 8.327 704 HA VAL 94 HA VAL 94 -0.615 9.299 9.299 705 HB VAL 94 HB VAL 94 -2.339 8.375 8.375 706 1HG1 VAL 94 HG22 VAL 94 -3.141 9.752 9.752 707 2HG1 VAL 94 HG21 VAL 94 -4.159 9.669 9.669 708 3HG1 VAL 94 HG23 VAL 94 -3.697 8.188 8.188 709 1HG2 VAL 94 HG13 VAL 94 -0.762 10.405 10.405 710 2HG2 VAL 94 HG12 VAL 94 -2.444 10.609 10.609 711 3HG2 VAL 94 HG11 VAL 94 -1.910 11.195 11.195 712 H LEU 95 HN LEU 95 -1.872 6.341 6.341 713 HA LEU 95 HA LEU 95 -2.954 5.349 5.349 714 1HB LEU 95 HB1 LEU 95 -3.592 3.413 3.413 715 2HB LEU 95 HB2 LEU 95 -3.891 4.829 4.829 716 HG LEU 95 HG LEU 95 -1.292 3.967 3.967 717 1HD1 LEU 95 HD23 LEU 95 -2.136 1.821 1.821 718 2HD1 LEU 95 HD22 LEU 95 -3.163 1.646 1.646 719 3HD1 LEU 95 HD21 LEU 95 -1.410 1.692 1.692 720 1HD2 LEU 95 HD13 LEU 95 -3.552 4.823 4.823 721 2HD2 LEU 95 HD12 LEU 95 -2.091 4.243 4.243 722 3HD2 LEU 95 HD11 LEU 95 -3.443 3.143 3.143 723 H VAL 96 HN VAL 96 0.015 4.892 4.892 724 HA VAL 96 HA VAL 96 0.914 2.597 2.597 725 HB VAL 96 HB VAL 96 2.293 4.604 4.604 726 1HG1 VAL 96 HG11 VAL 96 3.533 2.478 2.478 727 2HG1 VAL 96 HG13 VAL 96 4.244 2.902 2.902 728 3HG1 VAL 96 HG12 VAL 96 4.077 4.128 4.128 729 1HG2 VAL 96 HG21 VAL 96 1.274 1.826 1.826 730 2HG2 VAL 96 HG23 VAL 96 1.208 3.162 3.162 731 3HG2 VAL 96 HG22 VAL 96 2.709 2.263 2.263 732 H GLU 97 HN GLU 97 1.634 6.069 6.069 733 HA GLU 97 HA GLU 97 3.526 5.924 5.924 734 1HB GLU 97 HB2 GLU 97 3.068 8.240 8.240 735 2HB GLU 97 HB1 GLU 97 2.925 7.972 7.972 736 1HG GLU 97 HG1 GLU 97 0.590 8.051 8.051 737 2HG GLU 97 HG2 GLU 97 1.173 9.440 9.440 738 H HIS 98 HN HIS 98 0.038 5.718 5.718 739 HA HIS 98 HA HIS 98 -0.234 6.090 6.090 740 1HB HIS 98 HB2 HIS 98 -1.945 5.485 5.485 741 2HB HIS 98 HB1 HIS 98 -2.305 4.384 4.384 742 HD2 HIS 98 HD2 HIS 98 -4.613 6.425 6.425 743 HE1 HIS 98 HE1 HIS 98 -2.997 8.729 8.729 744 HE2 HIS 98 HE2 HIS 98 -5.086 8.212 8.212 745 H GLY 99 HN GLY 99 1.040 3.538 3.538 746 1HA GLY 99 HA2 GLY 99 2.165 1.977 1.977 747 2HA GLY 99 HA1 GLY 99 0.491 1.549 1.549 748 H ALA 100 HN ALA 100 -0.772 0.924 0.924 749 HA ALA 100 HA ALA 100 -1.065 -0.790 -0.790 750 1HB ALA 100 HB2 ALA 100 -0.153 1.218 1.218 751 2HB ALA 100 HB1 ALA 100 1.356 0.309 0.309 752 3HB ALA 100 HB3 ALA 100 -0.117 -0.360 -0.360 753 H ASP 101 HN ASP 101 0.637 -2.235 -2.235 754 HA ASP 101 HA ASP 101 2.224 -3.721 -3.721 755 1HB ASP 101 HB2 ASP 101 1.250 -4.939 -4.939 756 2HB ASP 101 HB1 ASP 101 0.149 -4.768 -4.768 757 H VAL 102 HN VAL 102 3.799 -1.915 -1.915 758 HA VAL 102 HA VAL 102 5.074 -2.287 -2.287 759 HB VAL 102 HB VAL 102 6.782 -0.673 -0.673 760 1HG1 VAL 102 HG13 VAL 102 4.554 -0.181 -0.181 761 2HG1 VAL 102 HG12 VAL 102 4.072 0.542 0.542 762 3HG1 VAL 102 HG11 VAL 102 5.504 1.134 1.134 763 1HG2 VAL 102 HG21 VAL 102 6.084 -1.343 -1.343 764 2HG2 VAL 102 HG23 VAL 102 6.477 0.343 0.343 765 3HG2 VAL 102 HG22 VAL 102 4.792 -0.166 -0.166 766 H ASN 103 HN ASN 103 5.072 -4.220 -4.220 767 HA ASN 103 HA ASN 103 7.908 -4.953 -4.953 768 1HB ASN 103 HB1 ASN 103 6.522 -5.867 -5.867 769 2HB ASN 103 HB2 ASN 103 8.164 -5.264 -5.264 770 1HD2 ASN 103 HD22 ASN 103 7.405 -1.948 -1.948 771 2HD2 ASN 103 HD21 ASN 103 8.550 -3.051 -3.051 772 H ALA 104 HN ALA 104 5.453 -5.819 -5.819 773 HA ALA 104 HA ALA 104 5.629 -8.702 -8.702 774 1HB ALA 104 HB2 ALA 104 3.289 -7.039 -7.039 775 2HB ALA 104 HB1 ALA 104 3.332 -8.779 -8.779 776 3HB ALA 104 HB3 ALA 104 3.418 -8.149 -8.149 777 H LEU 105 HN LEU 105 6.385 -9.966 -9.966 778 HA LEU 105 HA LEU 105 7.076 -8.778 -8.778 779 1HB LEU 105 HB2 LEU 105 7.514 -11.660 -11.660 780 2HB LEU 105 HB1 LEU 105 8.476 -10.601 -10.601 781 HG LEU 105 HG LEU 105 8.303 -10.361 -10.361 782 1HD1 LEU 105 HD12 LEU 105 9.488 -12.421 -12.421 783 2HD1 LEU 105 HD11 LEU 105 10.812 -11.262 -11.262 784 3HD1 LEU 105 HD13 LEU 105 9.989 -11.815 -11.815 785 1HD2 LEU 105 HD22 LEU 105 9.677 -8.866 -8.866 786 2HD2 LEU 105 HD21 LEU 105 9.044 -8.307 -8.307 787 3HD2 LEU 105 HD23 LEU 105 10.585 -9.162 -9.162 788 H ASP 106 HN ASP 106 6.650 -9.957 -9.957 789 HA ASP 106 HA ASP 106 3.867 -10.734 -10.734 790 1HB ASP 106 HB1 ASP 106 5.902 -10.239 -10.239 791 2HB ASP 106 HB2 ASP 106 4.638 -9.133 -9.133 792 H SER 107 HN SER 107 6.420 -12.028 -12.028 793 HA SER 107 HA SER 107 5.844 -14.723 -14.723 794 1HB SER 107 HB2 SER 107 4.589 -14.699 -14.699 795 2HB SER 107 HB1 SER 107 5.826 -13.788 -13.788 796 HG SER 107 HG SER 107 5.870 -16.503 -16.503 797 H THR 108 HN THR 108 8.029 -12.726 -12.726 798 HA THR 108 HA THR 108 10.195 -14.613 -14.613 799 HB THR 108 HB THR 108 10.821 -11.865 -11.865 800 HG1 THR 108 HG1 THR 108 9.310 -13.389 -13.389 801 1HG2 THR 108 HG22 THR 108 11.883 -14.395 -14.395 802 2HG2 THR 108 HG21 THR 108 11.170 -13.938 -13.938 803 3HG2 THR 108 HG23 THR 108 12.367 -12.891 -12.891 804 H GLY 109 HN GLY 109 8.844 -12.786 -12.786 805 1HA GLY 109 HA2 GLY 109 9.567 -12.101 -12.101 806 2HA GLY 109 HA1 GLY 109 11.150 -12.750 -12.750 807 H SER 110 HN SER 110 10.058 -10.582 -10.582 808 HA SER 110 HA SER 110 12.060 -8.656 -8.656 809 1HB SER 110 HB1 SER 110 11.350 -7.485 -7.485 810 2HB SER 110 HB2 SER 110 11.726 -9.184 -9.184 811 HG SER 110 HG SER 110 9.166 -9.049 -9.049 812 H LEU 111 HN LEU 111 11.406 -7.689 -7.689 813 HA LEU 111 HA LEU 111 9.037 -6.835 -6.835 814 1HB LEU 111 HB2 LEU 111 11.740 -6.071 -6.071 815 2HB LEU 111 HB1 LEU 111 10.798 -4.598 -4.598 816 HG LEU 111 HG LEU 111 9.503 -6.521 -6.521 817 1HD1 LEU 111 HD13 LEU 111 12.355 -6.394 -6.394 818 2HD1 LEU 111 HD12 LEU 111 11.628 -5.674 -5.674 819 3HD1 LEU 111 HD11 LEU 111 11.211 -7.323 -7.323 820 1HD2 LEU 111 HD23 LEU 111 10.052 -3.691 -3.691 821 2HD2 LEU 111 HD22 LEU 111 8.733 -4.533 -4.533 822 3HD2 LEU 111 HD21 LEU 111 10.270 -4.289 -4.289 823 HA PRO 112 HA PRO 112 6.859 -4.159 -4.159 824 1HB PRO 112 HB2 PRO 112 6.824 -2.312 -2.312 825 2HB PRO 112 HB1 PRO 112 5.503 -2.777 -2.777 826 1HG PRO 112 HG1 PRO 112 5.731 -3.886 -3.886 827 2HG PRO 112 HG2 PRO 112 5.234 -4.853 -4.853 828 1HD PRO 112 HD1 PRO 112 7.826 -4.821 -4.821 829 2HD PRO 112 HD2 PRO 112 7.041 -6.144 -6.144 830 H ILE 113 HN ILE 113 9.532 -2.946 -2.946 831 HA ILE 113 HA ILE 113 9.905 -0.543 -0.543 832 HB ILE 113 HB ILE 113 10.767 -0.509 -0.509 833 1HG1 ILE 113 HG11 ILE 113 13.112 0.043 0.043 834 2HG1 ILE 113 HG12 ILE 113 13.156 -0.889 -0.889 835 1HG2 ILE 113 HG21 ILE 113 11.713 -3.201 -3.201 836 2HG2 ILE 113 HG23 ILE 113 12.830 -2.249 -2.249 837 3HG2 ILE 113 HG22 ILE 113 11.186 -2.535 -2.535 838 1HD1 ILE 113 HD11 ILE 113 11.245 0.768 0.768 839 2HD1 ILE 113 HD13 ILE 113 11.984 1.783 1.783 840 3HD1 ILE 113 HD12 ILE 113 12.945 1.219 1.219 841 H HIS 114 HN HIS 114 11.175 -3.815 -3.815 842 HA HIS 114 HA HIS 114 13.319 -3.402 -3.402 843 1HB HIS 114 HB1 HIS 114 11.508 -5.754 -5.754 844 2HB HIS 114 HB2 HIS 114 12.783 -5.827 -5.827 845 HD2 HIS 114 HD2 HIS 114 15.250 -6.397 -6.397 846 HE1 HIS 114 HE1 HIS 114 14.319 -5.996 -5.996 847 HE2 HIS 114 HE2 HIS 114 16.148 -6.513 -6.513 848 H LEU 115 HN LEU 115 9.897 -4.004 -4.004 849 HA LEU 115 HA LEU 115 10.089 -4.177 -4.177 850 1HB LEU 115 HB2 LEU 115 7.717 -2.841 -2.841 851 2HB LEU 115 HB1 LEU 115 7.793 -4.079 -4.079 852 HG LEU 115 HG LEU 115 8.076 -4.452 -4.452 853 1HD1 LEU 115 HD12 LEU 115 5.817 -4.296 -4.296 854 2HD1 LEU 115 HD11 LEU 115 6.192 -5.996 -5.996 855 3HD1 LEU 115 HD13 LEU 115 6.013 -5.391 -5.391 856 1HD2 LEU 115 HD21 LEU 115 9.609 -5.826 -5.826 857 2HD2 LEU 115 HD23 LEU 115 8.861 -6.569 -6.569 858 3HD2 LEU 115 HD22 LEU 115 8.127 -6.765 -6.765 859 H ALA 116 HN ALA 116 9.667 -1.373 -1.373 860 HA ALA 116 HA ALA 116 9.256 0.590 0.590 861 1HB ALA 116 HB1 ALA 116 9.155 0.825 0.825 862 2HB ALA 116 HB3 ALA 116 10.907 1.017 1.017 863 3HB ALA 116 HB2 ALA 116 9.872 2.173 2.173 864 H ILE 117 HN ILE 117 12.320 -0.601 -0.601 865 HA ILE 117 HA ILE 117 14.065 1.045 1.045 866 HB ILE 117 HB ILE 117 14.447 -1.801 -1.801 867 1HG1 ILE 117 HG11 ILE 117 15.526 0.762 0.762 868 2HG1 ILE 117 HG12 ILE 117 14.004 0.040 0.040 869 1HG2 ILE 117 HG22 ILE 117 16.395 0.147 0.147 870 2HG2 ILE 117 HG21 ILE 117 16.909 -1.189 -1.189 871 3HG2 ILE 117 HG23 ILE 117 16.065 -1.518 -1.518 872 1HD1 ILE 117 HD11 ILE 117 16.548 -1.528 -1.528 873 2HD1 ILE 117 HD13 ILE 117 16.108 -0.446 -0.446 874 3HD1 ILE 117 HD12 ILE 117 15.056 -1.798 -1.798 875 H ARG 118 HN ARG 118 12.577 -2.032 -2.032 876 HA ARG 118 HA ARG 118 13.986 -2.409 -2.409 877 1HB ARG 118 HB1 ARG 118 11.138 -3.272 -3.272 878 2HB ARG 118 HB2 ARG 118 12.326 -4.030 -4.030 879 1HG ARG 118 HG1 ARG 118 13.369 -3.956 -3.956 880 2HG ARG 118 HG2 ARG 118 11.734 -4.618 -4.618 881 1HD ARG 118 HD1 ARG 118 12.309 -6.281 -6.281 882 2HD ARG 118 HD2 ARG 118 13.906 -5.567 -5.567 883 HE ARG 118 HE ARG 118 14.598 -6.551 -6.551 884 1HH1 ARG 118 HH11 ARG 118 11.171 -6.974 -6.974 885 2HH1 ARG 118 HH12 ARG 118 11.022 -8.149 -8.149 886 1HH2 ARG 118 HH21 ARG 118 14.416 -8.096 -8.096 887 2HH2 ARG 118 HH22 ARG 118 12.869 -8.787 -8.787 888 H GLU 119 HN GLU 119 11.480 -0.242 -0.242 889 HA GLU 119 HA GLU 119 10.696 0.279 0.279 890 1HB GLU 119 HB1 GLU 119 9.796 1.554 1.554 891 2HB GLU 119 HB2 GLU 119 9.120 1.900 1.900 892 1HG GLU 119 HG2 GLU 119 9.134 -0.866 -0.866 893 2HG GLU 119 HG1 GLU 119 7.845 0.290 0.290 894 H GLY 120 HN GLY 120 12.014 2.161 2.161 895 1HA GLY 120 HA2 GLY 120 14.040 3.489 3.489 896 2HA GLY 120 HA1 GLY 120 13.328 3.897 3.897 897 H HIS 121 HN HIS 121 10.758 3.941 3.941 898 HA HIS 121 HA HIS 121 10.338 6.664 6.664 899 1HB HIS 121 HB2 HIS 121 9.275 4.636 4.636 900 2HB HIS 121 HB1 HIS 121 8.616 6.252 6.252 901 HD2 HIS 121 HD2 HIS 121 8.327 2.732 2.732 902 HE1 HIS 121 HE1 HIS 121 6.241 5.344 5.344 903 HE2 HIS 121 HE2 HIS 121 6.818 2.925 2.925 904 H SER 122 HN SER 122 12.294 7.678 7.678 905 HA SER 122 HA SER 122 13.825 7.418 7.418 906 1HB SER 122 HB1 SER 122 14.053 9.947 9.947 907 2HB SER 122 HB2 SER 122 14.338 9.159 9.159 908 HG SER 122 HG SER 122 12.017 9.639 9.639 909 H SER 123 HN SER 123 10.607 8.862 8.862 910 HA SER 123 HA SER 123 10.651 9.696 9.696 911 1HB SER 123 HB1 SER 123 8.552 10.545 10.545 912 2HB SER 123 HB2 SER 123 9.111 10.415 10.415 913 HG SER 123 HG SER 123 7.268 9.348 9.348 914 H VAL 124 HN VAL 124 8.675 7.182 7.182 915 HA VAL 124 HA VAL 124 7.762 5.959 5.959 916 HB VAL 124 HB VAL 124 8.203 4.852 4.852 917 1HG1 VAL 124 HG13 VAL 124 8.386 3.002 3.002 918 2HG1 VAL 124 HG12 VAL 124 6.855 3.474 3.474 919 3HG1 VAL 124 HG11 VAL 124 6.890 2.899 2.899 920 1HG2 VAL 124 HG23 VAL 124 6.471 6.562 6.562 921 2HG2 VAL 124 HG22 VAL 124 5.778 4.992 4.992 922 3HG2 VAL 124 HG21 VAL 124 5.700 5.585 5.585 923 H VAL 125 HN VAL 125 10.464 4.848 4.848 924 HA VAL 125 HA VAL 125 11.322 2.740 2.740 925 HB VAL 125 HB VAL 125 13.283 4.552 4.552 926 1HG1 VAL 125 HG13 VAL 125 13.980 2.503 2.503 927 2HG1 VAL 125 HG12 VAL 125 13.203 1.550 1.550 928 3HG1 VAL 125 HG11 VAL 125 14.560 2.604 2.604 929 1HG2 VAL 125 HG22 VAL 125 10.997 3.193 3.193 930 2HG2 VAL 125 HG21 VAL 125 12.089 4.382 4.382 931 3HG2 VAL 125 HG23 VAL 125 12.525 2.674 2.674 932 H SER 126 HN SER 126 12.546 6.093 6.093 933 HA SER 126 HA SER 126 14.242 5.679 5.679 934 1HB SER 126 HB1 SER 126 14.529 7.598 7.598 935 2HB SER 126 HB2 SER 126 12.955 8.230 8.230 936 HG SER 126 HG SER 126 13.803 8.981 8.981 937 H PHE 127 HN PHE 127 10.864 6.446 6.446 938 HA PHE 127 HA PHE 127 10.522 7.218 7.218 939 1HB PHE 127 HB1 PHE 127 8.930 7.991 7.991 940 2HB PHE 127 HB2 PHE 127 8.528 6.337 6.337 941 HD1 PHE 127 HD2 PHE 127 8.164 8.926 8.926 942 HD2 PHE 127 HD1 PHE 127 7.041 5.009 5.009 943 HE1 PHE 127 HE2 PHE 127 6.362 8.907 8.907 944 HE2 PHE 127 HE1 PHE 127 5.237 4.982 4.982 945 HZ PHE 127 HZ PHE 127 4.897 6.933 6.933 946 H LEU 128 HN LEU 128 9.851 4.235 4.235 947 HA LEU 128 HA LEU 128 8.877 2.791 2.791 948 1HB LEU 128 HB2 LEU 128 9.418 2.290 2.290 949 2HB LEU 128 HB1 LEU 128 9.931 0.936 0.936 950 HG LEU 128 HG LEU 128 7.314 1.797 1.797 951 1HD1 LEU 128 HD21 LEU 128 7.543 2.473 2.473 952 2HD1 LEU 128 HD23 LEU 128 7.182 0.759 0.759 953 3HD1 LEU 128 HD22 LEU 128 6.059 1.796 1.796 954 1HD2 LEU 128 HD11 LEU 128 8.805 -0.566 -0.566 955 2HD2 LEU 128 HD13 LEU 128 7.230 -0.383 -0.383 956 3HD2 LEU 128 HD12 LEU 128 7.331 -0.718 -0.718 957 H ALA 129 HN ALA 129 11.963 3.849 3.849 958 HA ALA 129 HA ALA 129 13.539 1.657 1.657 959 1HB ALA 129 HB1 ALA 129 14.012 4.575 4.575 960 2HB ALA 129 HB3 ALA 129 15.210 3.621 3.621 961 3HB ALA 129 HB2 ALA 129 14.784 3.197 3.197 962 HA PRO 130 HA PRO 130 13.782 3.788 3.788 963 1HB PRO 130 HB2 PRO 130 12.161 5.930 5.930 964 2HB PRO 130 HB1 PRO 130 13.805 6.076 6.076 965 1HG PRO 130 HG2 PRO 130 11.199 6.106 6.106 966 2HG PRO 130 HG1 PRO 130 12.618 7.147 7.147 967 1HD PRO 130 HD2 PRO 130 12.103 5.059 5.059 968 2HD PRO 130 HD1 PRO 130 13.758 5.550 5.550 969 H GLU 131 HN GLU 131 10.525 4.240 4.240 970 HA GLU 131 HA GLU 131 9.004 3.605 3.605 971 1HB GLU 131 HB1 GLU 131 8.467 2.999 2.999 972 2HB GLU 131 HB2 GLU 131 7.263 2.850 2.850 973 1HG GLU 131 HG2 GLU 131 8.656 5.367 5.367 974 2HG GLU 131 HG1 GLU 131 6.967 4.935 4.935 975 H SER 132 HN SER 132 10.322 1.392 1.392 976 HA SER 132 HA SER 132 9.309 -0.942 -0.942 977 1HB SER 132 HB2 SER 132 11.176 -0.524 -0.524 978 2HB SER 132 HB1 SER 132 10.841 -2.129 -2.129 979 HG SER 132 HG SER 132 9.347 -1.845 -1.845 980 H ASP 133 HN ASP 133 10.280 -2.189 -2.189 981 HA ASP 133 HA ASP 133 12.195 -1.440 -1.440 982 1HB ASP 133 HB2 ASP 133 11.237 -4.065 -4.065 983 2HB ASP 133 HB1 ASP 133 12.825 -4.097 -4.097 984 H LEU 134 HN LEU 134 13.935 -0.308 -0.308 985 HA LEU 134 HA LEU 134 15.519 -0.934 -0.934 986 1HB LEU 134 HB1 LEU 134 15.852 0.698 0.698 987 2HB LEU 134 HB2 LEU 134 17.296 0.320 0.320 988 HG LEU 134 HG LEU 134 14.928 1.956 1.956 989 1HD1 LEU 134 HD13 LEU 134 17.831 2.372 2.372 990 2HD1 LEU 134 HD12 LEU 134 17.048 3.304 3.304 991 3HD1 LEU 134 HD11 LEU 134 16.463 3.417 3.417 992 1HD2 LEU 134 HD22 LEU 134 16.944 0.606 0.606 993 2HD2 LEU 134 HD21 LEU 134 15.184 0.505 0.505 994 3HD2 LEU 134 HD23 LEU 134 16.000 2.010 2.010 995 H HIS 135 HN HIS 135 17.479 -1.997 -1.997 996 HA HIS 135 HA HIS 135 19.263 -3.362 -3.362 997 1HB HIS 135 HB2 HIS 135 18.966 -2.493 -2.493 998 2HB HIS 135 HB1 HIS 135 17.981 -3.924 -3.924 999 HD2 HIS 135 HD2 HIS 135 21.379 -3.959 -3.959 1000 HE1 HIS 135 HE1 HIS 135 21.725 -6.283 -6.283 1001 HE2 HIS 135 HE2 HIS 135 22.806 -5.690 -5.690 1002 H HIS 136 HN HIS 136 15.934 -4.126 -4.126 1003 HA HIS 136 HA HIS 136 15.769 -6.806 -6.806 1004 1HB HIS 136 HB2 HIS 136 13.811 -6.797 -6.797 1005 2HB HIS 136 HB1 HIS 136 13.813 -5.406 -5.406 1006 HD2 HIS 136 HD2 HIS 136 15.470 -5.774 -5.774 1007 HE1 HIS 136 HE1 HIS 136 12.949 -2.376 -2.376 1008 HE2 HIS 136 HE2 HIS 136 14.442 -3.808 -3.808 1009 H ARG 137 HN ARG 137 15.371 -8.536 -8.536 1010 HA ARG 137 HA ARG 137 17.361 -8.326 -8.326 1011 1HB ARG 137 HB1 ARG 137 16.866 -10.502 -10.502 1012 2HB ARG 137 HB2 ARG 137 17.441 -10.933 -10.933 1013 1HG ARG 137 HG2 ARG 137 19.468 -9.853 -9.853 1014 2HG ARG 137 HG1 ARG 137 18.851 -8.840 -8.840 1015 1HD ARG 137 HD2 ARG 137 18.555 -11.051 -11.051 1016 2HD ARG 137 HD1 ARG 137 19.637 -11.731 -11.731 1017 HE ARG 137 HE ARG 137 21.060 -9.645 -9.645 1018 1HH1 ARG 137 HH11 ARG 137 19.276 -11.983 -11.983 1019 2HH1 ARG 137 HH12 ARG 137 20.317 -11.868 -11.868 1020 1HH2 ARG 137 HH21 ARG 137 22.436 -9.487 -9.487 1021 2HH2 ARG 137 HH22 ARG 137 22.116 -10.449 -10.449 1022 H ASP 138 HN ASP 138 16.920 -10.581 -10.581 1023 HA ASP 138 HA ASP 138 14.055 -10.559 -10.559 1024 1HB ASP 138 HB2 ASP 138 16.107 -9.476 -9.476 1025 2HB ASP 138 HB1 ASP 138 15.700 -11.016 -11.016 1026 H ALA 139 HN ALA 139 13.336 -12.467 -12.467 1027 HA ALA 139 HA ALA 139 14.262 -14.857 -14.857 1028 1HB ALA 139 HB3 ALA 139 12.357 -14.272 -14.272 1029 2HB ALA 139 HB2 ALA 139 12.764 -15.926 -15.926 1030 3HB ALA 139 HB1 ALA 139 12.006 -14.848 -14.848 1031 H SER 140 HN SER 140 15.507 -13.061 -13.061 1032 HA SER 140 HA SER 140 16.832 -15.405 -15.405 1033 1HB SER 140 HB1 SER 140 16.930 -14.310 -14.310 1034 2HB SER 140 HB2 SER 140 15.443 -13.622 -13.622 1035 HG SER 140 HG SER 140 17.110 -12.002 -12.002 1036 H GLY 141 HN GLY 141 17.309 -12.478 -12.478 1037 1HA GLY 141 HA2 GLY 141 19.329 -12.329 -12.329 1038 2HA GLY 141 HA1 GLY 141 20.213 -12.999 -12.999 1039 H LEU 142 HN LEU 142 17.764 -10.545 -10.545 1040 HA LEU 142 HA LEU 142 19.866 -8.695 -8.695 1041 1HB LEU 142 HB2 LEU 142 16.918 -8.824 -8.824 1042 2HB LEU 142 HB1 LEU 142 17.947 -7.495 -7.495 1043 HG LEU 142 HG LEU 142 18.104 -10.366 -10.366 1044 1HD1 LEU 142 HD12 LEU 142 16.600 -8.278 -8.278 1045 2HD1 LEU 142 HD11 LEU 142 18.034 -8.216 -8.216 1046 3HD1 LEU 142 HD13 LEU 142 17.082 -9.697 -9.697 1047 1HD2 LEU 142 HD23 LEU 142 20.361 -9.452 -9.452 1048 2HD2 LEU 142 HD22 LEU 142 20.031 -9.756 -9.756 1049 3HD2 LEU 142 HD21 LEU 142 19.978 -8.109 -8.109 1050 H THR 143 HN THR 143 18.909 -6.283 -6.283 1051 HA THR 143 HA THR 143 17.431 -5.660 -5.660 1052 HB THR 143 HB THR 143 19.857 -4.461 -4.461 1053 HG1 THR 143 HG1 THR 143 20.285 -7.234 -7.234 1054 1HG2 THR 143 HG22 THR 143 17.915 -6.196 -6.196 1055 2HG2 THR 143 HG21 THR 143 19.533 -6.746 -6.746 1056 3HG2 THR 143 HG23 THR 143 19.041 -5.091 -5.091 1057 HA PRO 144 HA PRO 144 17.076 -1.535 -1.535 1058 1HB PRO 144 HB1 PRO 144 18.891 -0.502 -0.502 1059 2HB PRO 144 HB2 PRO 144 17.282 0.055 0.055 1060 1HG PRO 144 HG2 PRO 144 17.609 -1.397 -1.397 1061 2HG PRO 144 HG1 PRO 144 16.207 -1.654 -1.654 1062 1HD PRO 144 HD2 PRO 144 18.672 -3.305 -3.305 1063 2HD PRO 144 HD1 PRO 144 17.004 -3.816 -3.816 1064 H LEU 145 HN LEU 145 20.388 -1.659 -1.659 1065 HA LEU 145 HA LEU 145 21.493 -0.106 -0.106 1066 1HB LEU 145 HB2 LEU 145 22.403 -1.351 -1.351 1067 2HB LEU 145 HB1 LEU 145 23.551 -1.645 -1.645 1068 HG LEU 145 HG LEU 145 22.606 1.036 1.036 1069 1HD1 LEU 145 HD13 LEU 145 24.730 -0.674 -0.674 1070 2HD1 LEU 145 HD12 LEU 145 25.429 0.713 0.713 1071 3HD1 LEU 145 HD11 LEU 145 24.385 0.962 0.962 1072 1HD2 LEU 145 HD21 LEU 145 23.946 0.249 0.249 1073 2HD2 LEU 145 HD23 LEU 145 22.885 1.615 1.615 1074 3HD2 LEU 145 HD22 LEU 145 24.578 1.669 1.669 1075 H GLU 146 HN GLU 146 21.437 -3.590 -3.590 1076 HA GLU 146 HA GLU 146 23.054 -4.464 -4.464 1077 1HB GLU 146 HB2 GLU 146 21.688 -5.708 -5.708 1078 2HB GLU 146 HB1 GLU 146 20.639 -6.081 -6.081 1079 1HG GLU 146 HG1 GLU 146 23.260 -6.586 -6.586 1080 2HG GLU 146 HG2 GLU 146 23.128 -7.269 -7.269 1081 H LEU 147 HN LEU 147 19.486 -4.311 -4.311 1082 HA LEU 147 HA LEU 147 19.078 -4.904 -4.904 1083 1HB LEU 147 HB2 LEU 147 17.528 -3.932 -3.932 1084 2HB LEU 147 HB1 LEU 147 17.207 -2.891 -2.891 1085 HG LEU 147 HG LEU 147 16.818 -5.879 -5.879 1086 1HD1 LEU 147 HD13 LEU 147 15.071 -4.545 -4.545 1087 2HD1 LEU 147 HD12 LEU 147 14.883 -3.605 -3.605 1088 3HD1 LEU 147 HD11 LEU 147 14.479 -5.322 -5.322 1089 1HD2 LEU 147 HD23 LEU 147 17.665 -4.599 -4.599 1090 2HD2 LEU 147 HD22 LEU 147 16.639 -6.033 -6.033 1091 3HD2 LEU 147 HD21 LEU 147 15.917 -4.431 -4.431 1092 H ALA 148 HN ALA 148 19.410 -1.682 -1.682 1093 HA ALA 148 HA ALA 148 19.205 -0.141 -0.141 1094 1HB ALA 148 HB1 ALA 148 19.582 0.450 0.450 1095 2HB ALA 148 HB3 ALA 148 21.229 0.697 0.697 1096 3HB ALA 148 HB2 ALA 148 19.897 1.605 1.605 1097 H ARG 149 HN ARG 149 21.940 -1.946 -1.946 1098 HA ARG 149 HA ARG 149 23.915 -0.914 -0.914 1099 1HB ARG 149 HB1 ARG 149 24.049 -2.528 -2.528 1100 2HB ARG 149 HB2 ARG 149 24.036 -3.767 -3.767 1101 1HG ARG 149 HG2 ARG 149 26.044 -2.997 -2.997 1102 2HG ARG 149 HG1 ARG 149 25.963 -1.469 -1.469 1103 1HD ARG 149 HD2 ARG 149 25.909 -3.493 -3.493 1104 2HD ARG 149 HD1 ARG 149 27.150 -3.965 -3.965 1105 HE ARG 149 HE ARG 149 28.412 -2.131 -2.131 1106 1HH1 ARG 149 HH11 ARG 149 25.266 -2.014 -2.014 1107 2HH1 ARG 149 HH12 ARG 149 25.693 -0.753 -0.753 1108 1HH2 ARG 149 HH21 ARG 149 28.986 -0.467 -0.467 1109 2HH2 ARG 149 HH22 ARG 149 27.807 0.128 0.128 1110 H GLN 150 HN GLN 150 21.443 -3.331 -3.331 1111 HA GLN 150 HA GLN 150 22.385 -4.577 -4.577 1112 1HB GLN 150 HB1 GLN 150 20.201 -4.876 -4.876 1113 2HB GLN 150 HB2 GLN 150 19.492 -4.497 -4.497 1114 1HG GLN 150 HG2 GLN 150 20.176 -6.432 -6.432 1115 2HG GLN 150 HG1 GLN 150 21.617 -6.552 -6.552 1116 1HE2 GLN 150 HE22 GLN 150 20.081 -9.068 -9.068 1117 2HE2 GLN 150 HE21 GLN 150 21.423 -8.523 -8.523 1118 H ARG 151 HN ARG 151 19.409 -2.658 -2.658 1119 HA ARG 151 HA ARG 151 19.771 -1.711 -1.711 1120 1HB ARG 151 HB2 ARG 151 17.732 -1.252 -1.252 1121 2HB ARG 151 HB1 ARG 151 17.759 -0.208 -0.208 1122 1HG ARG 151 HG2 ARG 151 16.975 -1.819 -1.819 1123 2HG ARG 151 HG1 ARG 151 17.790 -3.118 -3.118 1124 1HD ARG 151 HD2 ARG 151 16.021 -3.501 -3.501 1125 2HD ARG 151 HD1 ARG 151 15.694 -1.782 -1.782 1126 HE ARG 151 HE ARG 151 14.204 -1.864 -1.864 1127 1HH1 ARG 151 HH11 ARG 151 16.052 -4.814 -4.814 1128 2HH1 ARG 151 HH12 ARG 151 15.050 -5.637 -5.637 1129 1HH2 ARG 151 HH21 ARG 151 12.879 -2.939 -2.939 1130 2HH2 ARG 151 HH22 ARG 151 13.246 -4.571 -4.571 1131 H GLY 152 HN GLY 152 21.906 -0.794 -0.794 1132 1HA GLY 152 HA1 GLY 152 22.403 1.296 1.296 1133 2HA GLY 152 HA2 GLY 152 23.332 0.955 0.955 1134 H ALA 153 HN ALA 153 20.058 2.188 2.188 1135 HA ALA 153 HA ALA 153 19.985 3.906 3.906 1136 1HB ALA 153 HB3 ALA 153 18.343 3.419 3.419 1137 2HB ALA 153 HB2 ALA 153 18.338 5.112 5.112 1138 3HB ALA 153 HB1 ALA 153 17.869 3.859 3.859 1139 H GLN 154 HN GLN 154 21.631 4.127 4.127 1140 HA GLN 154 HA GLN 154 23.418 5.599 5.599 1141 1HB GLN 154 HB2 GLN 154 23.043 6.684 6.684 1142 2HB GLN 154 HB1 GLN 154 21.820 7.700 7.700 1143 1HG GLN 154 HG1 GLN 154 24.037 8.781 8.781 1144 2HG GLN 154 HG2 GLN 154 23.428 8.753 8.753 1145 1HE2 GLN 154 HE21 GLN 154 24.746 5.949 5.949 1146 2HE2 GLN 154 HE22 GLN 154 26.186 5.840 5.840 1147 H ASN 155 HN ASN 155 20.800 7.973 7.973 1148 HA ASN 155 HA ASN 155 21.298 8.906 8.906 1149 1HB ASN 155 HB1 ASN 155 19.546 9.535 9.535 1150 2HB ASN 155 HB2 ASN 155 18.483 9.119 9.119 1151 1HD2 ASN 155 HD22 ASN 155 19.433 11.847 11.847 1152 2HD2 ASN 155 HD21 ASN 155 18.837 10.227 10.227 1153 H LEU 156 HN LEU 156 18.957 6.413 6.413 1154 HA LEU 156 HA LEU 156 17.593 6.115 6.115 1155 1HB LEU 156 HB2 LEU 156 17.053 3.872 3.872 1156 2HB LEU 156 HB1 LEU 156 17.018 4.954 4.954 1157 HG LEU 156 HG LEU 156 19.281 3.080 3.080 1158 1HD1 LEU 156 HD12 LEU 156 16.872 2.816 2.816 1159 2HD1 LEU 156 HD11 LEU 156 18.384 2.090 2.090 1160 3HD1 LEU 156 HD13 LEU 156 17.680 1.614 1.614 1161 1HD2 LEU 156 HD21 LEU 156 18.806 5.023 5.023 1162 2HD2 LEU 156 HD23 LEU 156 20.214 4.870 4.870 1163 3HD2 LEU 156 HD22 LEU 156 19.894 3.648 3.648 1164 H MET 157 HN MET 157 20.543 4.296 4.296 1165 HA MET 157 HA MET 157 20.770 2.900 2.900 1166 1HB MET 157 HB2 MET 157 22.762 2.125 2.125 1167 2HB MET 157 HB1 MET 157 22.015 2.675 2.675 1168 1HG MET 157 HG2 MET 157 23.321 4.652 4.652 1169 2HG MET 157 HG1 MET 157 23.911 4.358 4.358 1170 1HE MET 157 HE3 MET 157 24.953 2.274 2.274 1171 2HE MET 157 HE2 MET 157 25.015 0.909 0.909 1172 3HE MET 157 HE1 MET 157 26.476 1.838 1.838 1173 H ASP 158 HN ASP 158 21.899 6.090 6.090 1174 HA ASP 158 HA ASP 158 23.478 6.491 6.491 1175 1HB ASP 158 HB1 ASP 158 22.385 8.804 8.804 1176 2HB ASP 158 HB2 ASP 158 23.508 7.719 7.719 1177 H ILE 159 HN ILE 159 20.144 6.853 6.853 1178 HA ILE 159 HA ILE 159 19.453 8.676 8.676 1179 HB ILE 159 HB ILE 159 17.813 6.767 6.767 1180 1HG1 ILE 159 HG12 ILE 159 17.602 9.739 9.739 1181 2HG1 ILE 159 HG11 ILE 159 19.015 8.973 8.973 1182 1HG2 ILE 159 HG23 ILE 159 17.115 8.168 8.168 1183 2HG2 ILE 159 HG22 ILE 159 16.141 8.731 8.731 1184 3HG2 ILE 159 HG21 ILE 159 16.173 7.017 7.017 1185 1HD1 ILE 159 HD11 ILE 159 16.703 7.542 7.542 1186 2HD1 ILE 159 HD13 ILE 159 16.435 9.264 9.264 1187 3HD1 ILE 159 HD12 ILE 159 17.842 8.467 8.467 1188 H LEU 160 HN LEU 160 19.368 5.152 5.152 1189 HA LEU 160 HA LEU 160 18.137 4.695 4.695 1190 1HB LEU 160 HB1 LEU 160 19.743 2.543 2.543 1191 2HB LEU 160 HB2 LEU 160 18.119 2.502 2.502 1192 HG LEU 160 HG LEU 160 19.004 3.357 3.357 1193 1HD1 LEU 160 HD11 LEU 160 17.921 1.009 1.009 1194 2HD1 LEU 160 HD13 LEU 160 16.611 1.783 1.783 1195 3HD1 LEU 160 HD12 LEU 160 18.134 1.421 1.421 1196 1HD2 LEU 160 HD21 LEU 160 16.675 4.299 4.299 1197 2HD2 LEU 160 HD23 LEU 160 17.568 5.080 5.080 1198 3HD2 LEU 160 HD22 LEU 160 16.382 3.826 3.826 1199 H GLN 161 HN GLN 161 21.469 4.176 4.176 1200 HA GLN 161 HA GLN 161 22.599 3.292 3.292 1201 1HB GLN 161 HB2 GLN 161 24.678 3.782 3.782 1202 2HB GLN 161 HB1 GLN 161 23.628 3.507 3.507 1203 1HG GLN 161 HG1 GLN 161 24.034 5.525 5.525 1204 2HG GLN 161 HG2 GLN 161 23.598 6.282 6.282 1205 1HE2 GLN 161 HE22 GLN 161 26.906 7.426 7.426 1206 2HE2 GLN 161 HE21 GLN 161 25.249 7.818 7.818 1207 H GLY 162 HN GLY 162 21.537 6.474 6.474 1208 1HA GLY 162 HA2 GLY 162 23.068 7.886 7.886 1209 2HA GLY 162 HA1 GLY 162 21.672 8.502 8.502 1210 H HIS 163 HN HIS 163 19.613 7.009 7.009 1211 HA HIS 163 HA HIS 163 19.130 7.801 7.801 1212 1HB HIS 163 HB1 HIS 163 17.475 6.133 6.133 1213 2HB HIS 163 HB2 HIS 163 16.914 6.717 6.717 1214 HD2 HIS 163 HD2 HIS 163 14.988 7.963 7.963 1215 HE1 HIS 163 HE1 HIS 163 17.686 11.143 11.143 1216 HE2 HIS 163 HE2 HIS 163 15.256 10.424 10.424 1217 H MET 164 HN MET 164 19.388 4.648 4.648 1218 HA MET 164 HA MET 164 18.872 2.872 2.872 1219 1HB MET 164 HB2 MET 164 19.940 2.570 2.570 1220 2HB MET 164 HB1 MET 164 21.448 2.508 2.508 1221 1HG MET 164 HG2 MET 164 19.488 0.801 0.801 1222 2HG MET 164 HG1 MET 164 19.663 0.419 0.419 1223 1HE MET 164 HE3 MET 164 21.884 0.585 0.585 1224 2HE MET 164 HE2 MET 164 23.443 0.197 0.197 1225 3HE MET 164 HE1 MET 164 22.333 -1.098 -1.098 1226 H MET 165 HN MET 165 22.199 4.086 4.086 1227 HA MET 165 HA MET 165 23.921 4.364 4.364 1228 1HB MET 165 HB2 MET 165 21.626 5.549 5.549 1229 2HB MET 165 HB1 MET 165 22.512 4.738 4.738 1230 1HG MET 165 HG2 MET 165 24.569 5.937 5.937 1231 2HG MET 165 HG1 MET 165 23.495 6.892 6.892 1232 1HE MET 165 HE1 MET 165 21.310 7.726 7.726 1233 2HE MET 165 HE3 MET 165 21.116 8.491 8.491 1234 3HE MET 165 HE2 MET 165 22.106 9.263 9.263 1235 H ILE 166 HN ILE 166 24.222 3.746 3.746 1236 HA ILE 166 HA ILE 166 23.570 0.892 0.892 1237 HB ILE 166 HB ILE 166 26.310 1.827 1.827 1238 1HG1 ILE 166 HG11 ILE 166 25.870 2.426 2.426 1239 2HG1 ILE 166 HG12 ILE 166 27.180 1.275 1.275 1240 1HG2 ILE 166 HG22 ILE 166 24.973 -0.789 -0.789 1241 2HG2 ILE 166 HG21 ILE 166 26.727 -0.637 -0.637 1242 3HG2 ILE 166 HG23 ILE 166 25.894 -0.288 -0.288 1243 1HD1 ILE 166 HD11 ILE 166 24.889 -0.277 -0.277 1244 2HD1 ILE 166 HD13 ILE 166 24.774 1.010 1.010 1245 3HD1 ILE 166 HD12 ILE 166 26.200 -0.027 -0.027 1246 HA PRO 167 HA PRO 167 22.490 2.594 2.594 1247 1HB PRO 167 HB1 PRO 167 21.114 0.399 0.399 1248 2HB PRO 167 HB2 PRO 167 20.425 1.619 1.619 1249 1HG PRO 167 HG2 PRO 167 21.615 -1.047 -1.047 1250 2HG PRO 167 HG1 PRO 167 20.156 -0.278 -0.278 1251 1HD PRO 167 HD1 PRO 167 22.516 -0.296 -0.296 1252 2HD PRO 167 HD2 PRO 167 21.352 1.036 1.036 1253 H MET 168 HN MET 168 22.549 1.502 1.502 1254 HA MET 168 HA MET 168 24.005 -0.659 -0.659 1255 1HB MET 168 HB1 MET 168 26.300 0.353 0.353 1256 2HB MET 168 HB2 MET 168 25.922 -0.047 -0.047 1257 1HG MET 168 HG2 MET 168 25.184 2.417 2.417 1258 2HG MET 168 HG1 MET 168 26.114 2.637 2.637 1259 1HE MET 168 HE3 MET 168 28.017 3.875 3.875 1260 2HE MET 168 HE2 MET 168 29.154 3.865 3.865 1261 3HE MET 168 HE1 MET 168 27.535 4.530 4.530 Start of MODEL 13 1 1H GLY 1 HT2 GLY 1 -29.350 -18.572 -18.572 2 2H GLY 1 HT1 GLY 1 -30.549 -18.563 -18.563 3 3H GLY 1 HT3 GLY 1 -29.034 -17.880 -17.880 4 1HA GLY 1 HA1 GLY 1 -29.668 -15.923 -15.923 5 2HA GLY 1 HA2 GLY 1 -31.284 -16.589 -16.589 6 H SER 2 HN SER 2 -31.431 -15.059 -15.059 7 HA SER 2 HA SER 2 -31.575 -14.643 -14.643 8 1HB SER 2 HB1 SER 2 -30.605 -17.503 -17.503 9 2HB SER 2 HB2 SER 2 -31.054 -16.553 -16.553 10 HG SER 2 HG SER 2 -33.014 -17.144 -17.144 11 H MET 3 HN MET 3 -28.768 -16.795 -16.795 12 HA MET 3 HA MET 3 -26.714 -16.440 -16.440 13 1HB MET 3 HB1 MET 3 -26.985 -15.000 -15.000 14 2HB MET 3 HB2 MET 3 -26.163 -13.911 -13.911 15 1HG MET 3 HG1 MET 3 -25.286 -16.717 -16.717 16 2HG MET 3 HG2 MET 3 -24.613 -15.250 -15.250 17 1HE MET 3 HE2 MET 3 -24.043 -17.873 -17.873 18 2HE MET 3 HE1 MET 3 -22.377 -17.333 -17.333 19 3HE MET 3 HE3 MET 3 -23.428 -17.522 -17.522 20 H LEU 4 HN LEU 4 -27.944 -15.942 -15.942 21 HA LEU 4 HA LEU 4 -27.715 -13.132 -13.132 22 1HB LEU 4 HB2 LEU 4 -29.240 -15.481 -15.481 23 2HB LEU 4 HB1 LEU 4 -28.915 -14.106 -14.106 24 HG LEU 4 HG LEU 4 -30.150 -13.582 -13.582 25 1HD1 LEU 4 HD13 LEU 4 -31.457 -15.018 -15.018 26 2HD1 LEU 4 HD12 LEU 4 -32.390 -13.874 -13.874 27 3HD1 LEU 4 HD11 LEU 4 -31.631 -15.263 -15.263 28 1HD2 LEU 4 HD22 LEU 4 -30.157 -12.361 -12.361 29 2HD2 LEU 4 HD21 LEU 4 -29.744 -11.631 -11.631 30 3HD2 LEU 4 HD23 LEU 4 -31.429 -11.975 -11.975 31 H LEU 5 HN LEU 5 -25.827 -12.590 -12.590 32 HA LEU 5 HA LEU 5 -24.813 -13.956 -13.956 33 1HB LEU 5 HB2 LEU 5 -23.987 -15.257 -15.257 34 2HB LEU 5 HB1 LEU 5 -22.923 -13.886 -13.886 35 HG LEU 5 HG LEU 5 -22.191 -14.331 -14.331 36 1HD1 LEU 5 HD21 LEU 5 -24.047 -16.445 -16.445 37 2HD1 LEU 5 HD23 LEU 5 -22.435 -17.140 -17.140 38 3HD1 LEU 5 HD22 LEU 5 -23.077 -16.087 -16.087 39 1HD2 LEU 5 HD11 LEU 5 -21.223 -15.080 -15.080 40 2HD2 LEU 5 HD13 LEU 5 -20.323 -15.012 -15.012 41 3HD2 LEU 5 HD12 LEU 5 -21.076 -16.522 -16.522 42 H GLU 6 HN GLU 6 -25.681 -11.415 -11.415 43 HA GLU 6 HA GLU 6 -23.242 -9.774 -9.774 44 1HB GLU 6 HB1 GLU 6 -26.103 -9.227 -9.227 45 2HB GLU 6 HB2 GLU 6 -25.158 -7.915 -7.915 46 1HG GLU 6 HG1 GLU 6 -25.262 -8.811 -8.811 47 2HG GLU 6 HG2 GLU 6 -24.363 -7.456 -7.456 48 H GLU 7 HN GLU 7 -22.612 -10.478 -10.478 49 HA GLU 7 HA GLU 7 -24.306 -9.630 -9.630 50 1HB GLU 7 HB2 GLU 7 -23.105 -11.858 -11.858 51 2HB GLU 7 HB1 GLU 7 -21.603 -10.963 -10.963 52 1HG GLU 7 HG2 GLU 7 -23.872 -11.210 -11.210 53 2HG GLU 7 HG1 GLU 7 -22.182 -11.666 -11.666 54 H VAL 8 HN VAL 8 -22.549 -7.939 -7.939 55 HA VAL 8 HA VAL 8 -21.200 -6.363 -6.363 56 HB VAL 8 HB VAL 8 -19.652 -5.548 -5.548 57 1HG1 VAL 8 HG22 VAL 8 -19.961 -8.533 -8.533 58 2HG1 VAL 8 HG21 VAL 8 -18.598 -7.768 -7.768 59 3HG1 VAL 8 HG23 VAL 8 -18.860 -7.497 -7.497 60 1HG2 VAL 8 HG13 VAL 8 -21.628 -6.599 -6.599 61 2HG2 VAL 8 HG12 VAL 8 -20.332 -5.439 -5.439 62 3HG2 VAL 8 HG11 VAL 8 -20.008 -7.168 -7.168 63 H CYS 9 HN CYS 9 -23.976 -6.122 -6.122 64 HA CYS 9 HA CYS 9 -24.879 -4.344 -4.344 65 1HB CYS 9 HB2 CYS 9 -26.239 -3.324 -3.324 66 2HB CYS 9 HB1 CYS 9 -26.500 -4.995 -4.995 67 HG CYS 9 HG CYS 9 -24.735 -5.514 -5.514 68 H VAL 10 HN VAL 10 -22.995 -3.480 -3.480 69 HA VAL 10 HA VAL 10 -22.702 -0.760 -0.760 70 HB VAL 10 HB VAL 10 -22.242 0.034 0.034 71 1HG1 VAL 10 HG22 VAL 10 -24.685 -1.735 -1.735 72 2HG1 VAL 10 HG21 VAL 10 -24.404 -0.420 -0.420 73 3HG1 VAL 10 HG23 VAL 10 -24.578 -0.072 -0.072 74 1HG2 VAL 10 HG12 VAL 10 -21.663 -2.709 -2.709 75 2HG2 VAL 10 HG11 VAL 10 -21.363 -1.304 -1.304 76 3HG2 VAL 10 HG13 VAL 10 -22.898 -2.165 -2.165 77 H GLY 11 HN GLY 11 -21.113 -3.672 -3.672 78 1HA GLY 11 HA1 GLY 11 -18.549 -2.991 -2.991 79 2HA GLY 11 HA2 GLY 11 -18.928 -4.304 -4.304 80 H ASP 12 HN ASP 12 -19.342 -3.603 -3.603 81 HA ASP 12 HA ASP 12 -17.095 -2.466 -2.466 82 1HB ASP 12 HB1 ASP 12 -18.574 -3.748 -3.748 83 2HB ASP 12 HB2 ASP 12 -18.499 -2.125 -2.125 84 H ARG 13 HN ARG 13 -19.790 -0.887 -0.887 85 HA ARG 13 HA ARG 13 -19.660 1.617 1.617 86 1HB ARG 13 HB2 ARG 13 -21.370 0.597 0.597 87 2HB ARG 13 HB1 ARG 13 -20.344 1.417 1.417 88 1HG ARG 13 HG1 ARG 13 -21.900 3.035 3.035 89 2HG ARG 13 HG2 ARG 13 -20.682 3.461 3.461 90 1HD ARG 13 HD2 ARG 13 -22.356 1.555 1.555 91 2HD ARG 13 HD1 ARG 13 -23.419 2.692 2.692 92 HE ARG 13 HE ARG 13 -21.434 4.072 4.072 93 1HH1 ARG 13 HH11 ARG 13 -24.390 2.270 2.270 94 2HH1 ARG 13 HH12 ARG 13 -24.849 3.076 3.076 95 1HH2 ARG 13 HH21 ARG 13 -22.029 5.140 5.140 96 2HH2 ARG 13 HH22 ARG 13 -23.507 4.707 4.707 97 H LEU 14 HN LEU 14 -18.440 0.809 0.809 98 HA LEU 14 HA LEU 14 -16.782 3.125 3.125 99 1HB LEU 14 HB1 LEU 14 -17.824 1.640 1.640 100 2HB LEU 14 HB2 LEU 14 -16.327 0.742 0.742 101 HG LEU 14 HG LEU 14 -16.741 3.554 3.554 102 1HD1 LEU 14 HD12 LEU 14 -15.346 1.099 1.099 103 2HD1 LEU 14 HD11 LEU 14 -15.092 2.700 2.700 104 3HD1 LEU 14 HD13 LEU 14 -16.700 1.975 1.975 105 1HD2 LEU 14 HD22 LEU 14 -14.307 2.412 2.412 106 2HD2 LEU 14 HD21 LEU 14 -15.058 3.991 3.991 107 3HD2 LEU 14 HD23 LEU 14 -14.164 3.641 3.641 108 H SER 15 HN SER 15 -16.155 -0.327 -0.327 109 HA SER 15 HA SER 15 -13.361 -0.173 -0.173 110 1HB SER 15 HB2 SER 15 -15.204 -2.200 -2.200 111 2HB SER 15 HB1 SER 15 -14.598 -2.168 -2.168 112 HG SER 15 HG SER 15 -13.123 -2.516 -2.516 113 H GLY 16 HN GLY 16 -15.862 0.349 0.349 114 1HA GLY 16 HA1 GLY 16 -14.100 0.447 0.447 115 2HA GLY 16 HA2 GLY 16 -15.752 1.043 1.043 116 H ALA 17 HN ALA 17 -15.675 3.000 3.000 117 HA ALA 17 HA ALA 17 -14.676 5.196 5.196 118 1HB ALA 17 HB2 ALA 17 -16.126 4.748 4.748 119 2HB ALA 17 HB1 ALA 17 -14.771 5.793 5.793 120 3HB ALA 17 HB3 ALA 17 -15.888 6.271 6.271 121 H ALA 18 HN ALA 18 -13.247 3.397 3.397 122 HA ALA 18 HA ALA 18 -10.944 5.068 5.068 123 1HB ALA 18 HB3 ALA 18 -11.803 2.474 2.474 124 2HB ALA 18 HB2 ALA 18 -10.098 2.915 2.915 125 3HB ALA 18 HB1 ALA 18 -11.317 3.971 3.971 126 H ALA 19 HN ALA 19 -11.475 1.809 1.809 127 HA ALA 19 HA ALA 19 -8.869 1.394 1.394 128 1HB ALA 19 HB2 ALA 19 -10.829 -0.265 -0.265 129 2HB ALA 19 HB1 ALA 19 -11.269 0.273 0.273 130 3HB ALA 19 HB3 ALA 19 -9.698 -0.474 -0.474 131 H ARG 20 HN ARG 20 -11.649 2.972 2.972 132 HA ARG 20 HA ARG 20 -10.484 3.258 3.258 133 1HB ARG 20 HB1 ARG 20 -12.800 4.608 4.608 134 2HB ARG 20 HB2 ARG 20 -12.310 5.025 5.025 135 1HG ARG 20 HG2 ARG 20 -13.095 3.089 3.089 136 2HG ARG 20 HG1 ARG 20 -12.765 2.159 2.159 137 1HD ARG 20 HD1 ARG 20 -14.912 2.313 2.313 138 2HD ARG 20 HD2 ARG 20 -14.717 4.059 4.059 139 HE ARG 20 HE ARG 20 -16.033 4.232 4.232 140 1HH1 ARG 20 HH21 ARG 20 -14.248 1.251 1.251 141 2HH1 ARG 20 HH22 ARG 20 -14.946 0.795 0.795 142 1HH2 ARG 20 HH11 ARG 20 -16.956 3.645 3.645 143 2HH2 ARG 20 HH12 ARG 20 -16.483 2.158 2.158 144 H GLY 21 HN GLY 21 -10.086 4.913 4.913 145 1HA GLY 21 HA1 GLY 21 -8.678 6.640 6.640 146 2HA GLY 21 HA2 GLY 21 -8.035 6.576 6.576 147 H ASP 22 HN ASP 22 -11.106 7.491 7.491 148 HA ASP 22 HA ASP 22 -11.025 9.994 9.994 149 1HB ASP 22 HB1 ASP 22 -13.718 9.149 9.149 150 2HB ASP 22 HB2 ASP 22 -12.898 7.953 7.953 151 H VAL 23 HN VAL 23 -10.223 11.227 11.227 152 HA VAL 23 HA VAL 23 -10.947 11.160 11.160 153 HB VAL 23 HB VAL 23 -9.076 12.505 12.505 154 1HG1 VAL 23 HG13 VAL 23 -11.274 13.957 13.957 155 2HG1 VAL 23 HG12 VAL 23 -9.893 14.895 14.895 156 3HG1 VAL 23 HG11 VAL 23 -9.649 13.567 13.567 157 1HG2 VAL 23 HG22 VAL 23 -10.273 12.970 12.970 158 2HG2 VAL 23 HG21 VAL 23 -9.240 14.249 14.249 159 3HG2 VAL 23 HG23 VAL 23 -10.991 14.358 14.358 160 H GLN 24 HN GLN 24 -12.765 12.232 12.232 161 HA GLN 24 HA GLN 24 -14.524 13.997 13.997 162 1HB GLN 24 HB2 GLN 24 -14.140 13.100 13.100 163 2HB GLN 24 HB1 GLN 24 -15.843 13.007 13.007 164 1HG GLN 24 HG1 GLN 24 -14.928 15.478 15.478 165 2HG GLN 24 HG2 GLN 24 -14.260 15.294 15.294 166 1HE2 GLN 24 HE22 GLN 24 -17.828 16.708 16.708 167 2HE2 GLN 24 HE21 GLN 24 -16.494 16.936 16.936 168 H GLU 25 HN GLU 25 -14.925 10.702 10.702 169 HA GLU 25 HA GLU 25 -17.471 10.331 10.331 170 1HB GLU 25 HB2 GLU 25 -15.583 8.268 8.268 171 2HB GLU 25 HB1 GLU 25 -17.284 8.020 8.020 172 1HG GLU 25 HG2 GLU 25 -16.125 8.932 8.932 173 2HG GLU 25 HG1 GLU 25 -17.833 8.717 8.717 174 H VAL 26 HN VAL 26 -14.169 9.550 9.550 175 HA VAL 26 HA VAL 26 -14.602 7.665 7.665 176 HB VAL 26 HB VAL 26 -12.376 8.662 8.662 177 1HG1 VAL 26 HG22 VAL 26 -12.800 10.965 10.965 178 2HG1 VAL 26 HG21 VAL 26 -12.855 10.453 10.453 179 3HG1 VAL 26 HG23 VAL 26 -11.352 10.321 10.321 180 1HG2 VAL 26 HG12 VAL 26 -13.029 7.043 7.043 181 2HG2 VAL 26 HG11 VAL 26 -11.392 7.350 7.350 182 3HG2 VAL 26 HG13 VAL 26 -12.037 8.278 8.278 183 H ARG 27 HN ARG 27 -14.565 11.208 11.208 184 HA ARG 27 HA ARG 27 -15.314 11.091 11.091 185 1HB ARG 27 HB1 ARG 27 -15.841 13.604 13.604 186 2HB ARG 27 HB2 ARG 27 -14.175 13.042 13.042 187 1HG ARG 27 HG1 ARG 27 -13.889 13.598 13.598 188 2HG ARG 27 HG2 ARG 27 -15.399 12.829 12.829 189 1HD ARG 27 HD1 ARG 27 -16.125 15.126 15.126 190 2HD ARG 27 HD2 ARG 27 -14.809 15.614 15.614 191 HE ARG 27 HE ARG 27 -16.950 14.075 14.075 192 1HH1 ARG 27 HH11 ARG 27 -15.588 17.216 17.216 193 2HH1 ARG 27 HH12 ARG 27 -16.448 17.995 17.995 194 1HH2 ARG 27 HH21 ARG 27 -18.083 15.093 15.093 195 2HH2 ARG 27 HH22 ARG 27 -17.866 16.789 16.789 196 H ARG 28 HN ARG 28 -17.065 11.994 11.994 197 HA ARG 28 HA ARG 28 -19.531 12.548 12.548 198 1HB ARG 28 HB2 ARG 28 -19.162 13.144 13.144 199 2HB ARG 28 HB1 ARG 28 -18.817 11.480 11.480 200 1HG ARG 28 HG2 ARG 28 -21.193 10.932 10.932 201 2HG ARG 28 HG1 ARG 28 -21.473 12.667 12.667 202 1HD ARG 28 HD1 ARG 28 -21.522 12.973 12.973 203 2HD ARG 28 HD2 ARG 28 -20.135 11.919 11.919 204 HE ARG 28 HE ARG 28 -22.381 10.357 10.357 205 1HH1 ARG 28 HH21 ARG 28 -21.128 12.341 12.341 206 2HH1 ARG 28 HH22 ARG 28 -21.966 11.479 11.479 207 1HH2 ARG 28 HH11 ARG 28 -23.490 9.217 9.217 208 2HH2 ARG 28 HH12 ARG 28 -23.308 9.702 9.702 209 H LEU 29 HN LEU 29 -17.981 9.513 9.513 210 HA LEU 29 HA LEU 29 -20.298 7.876 7.876 211 1HB LEU 29 HB1 LEU 29 -17.362 7.400 7.400 212 2HB LEU 29 HB2 LEU 29 -18.492 6.120 6.120 213 HG LEU 29 HG LEU 29 -17.402 6.708 6.708 214 1HD1 LEU 29 HD23 LEU 29 -19.635 4.935 4.935 215 2HD1 LEU 29 HD22 LEU 29 -19.070 4.932 4.932 216 3HD1 LEU 29 HD21 LEU 29 -17.964 4.506 4.506 217 1HD2 LEU 29 HD12 LEU 29 -19.298 8.495 8.495 218 2HD2 LEU 29 HD11 LEU 29 -19.044 7.493 7.493 219 3HD2 LEU 29 HD13 LEU 29 -20.346 7.108 7.108 220 H LEU 30 HN LEU 30 -17.695 7.996 7.996 221 HA LEU 30 HA LEU 30 -19.416 7.007 7.007 222 1HB LEU 30 HB1 LEU 30 -16.739 8.309 8.309 223 2HB LEU 30 HB2 LEU 30 -17.529 7.110 7.110 224 HG LEU 30 HG LEU 30 -16.818 6.374 6.374 225 1HD1 LEU 30 HD13 LEU 30 -14.869 6.526 6.526 226 2HD1 LEU 30 HD12 LEU 30 -14.585 5.653 5.653 227 3HD1 LEU 30 HD11 LEU 30 -14.785 7.406 7.406 228 1HD2 LEU 30 HD22 LEU 30 -17.441 5.038 5.038 229 2HD2 LEU 30 HD21 LEU 30 -17.823 4.565 4.565 230 3HD2 LEU 30 HD23 LEU 30 -16.212 4.270 4.270 231 H HIS 31 HN HIS 31 -18.091 10.178 10.178 232 HA HIS 31 HA HIS 31 -19.118 11.476 11.476 233 1HB HIS 31 HB2 HIS 31 -18.436 12.876 12.876 234 2HB HIS 31 HB1 HIS 31 -18.305 13.483 13.483 235 HD2 HIS 31 HD2 HIS 31 -15.611 13.898 13.898 236 HE1 HIS 31 HE1 HIS 31 -14.456 10.070 10.070 237 HE2 HIS 31 HE2 HIS 31 -13.631 12.341 12.341 238 H ARG 32 HN ARG 32 -20.724 10.152 10.152 239 HA ARG 32 HA ARG 32 -23.059 11.826 11.826 240 1HB ARG 32 HB2 ARG 32 -21.567 12.211 12.211 241 2HB ARG 32 HB1 ARG 32 -22.833 11.114 11.114 242 1HG ARG 32 HG1 ARG 32 -23.574 13.338 13.338 243 2HG ARG 32 HG2 ARG 32 -24.508 12.690 12.690 244 1HD ARG 32 HD1 ARG 32 -22.136 13.947 13.947 245 2HD ARG 32 HD2 ARG 32 -22.987 15.059 15.059 246 HE ARG 32 HE ARG 32 -24.877 13.943 13.943 247 1HH1 ARG 32 HH21 ARG 32 -22.060 15.977 15.977 248 2HH1 ARG 32 HH22 ARG 32 -22.617 16.828 16.828 249 1HH2 ARG 32 HH11 ARG 32 -25.623 15.055 15.055 250 2HH2 ARG 32 HH12 ARG 32 -24.642 16.302 16.302 251 H GLU 33 HN GLU 33 -22.212 9.261 9.261 252 HA GLU 33 HA GLU 33 -24.638 7.876 7.876 253 1HB GLU 33 HB1 GLU 33 -23.178 7.592 7.592 254 2HB GLU 33 HB2 GLU 33 -21.948 6.852 6.852 255 1HG GLU 33 HG1 GLU 33 -24.316 5.399 5.399 256 2HG GLU 33 HG2 GLU 33 -24.174 5.644 5.644 257 H LEU 34 HN LEU 34 -21.955 8.072 8.072 258 HA LEU 34 HA LEU 34 -21.255 6.905 6.905 259 1HB LEU 34 HB1 LEU 34 -23.832 7.668 7.668 260 2HB LEU 34 HB2 LEU 34 -23.979 5.940 5.940 261 HG LEU 34 HG LEU 34 -21.863 6.453 6.453 262 1HD1 LEU 34 HD23 LEU 34 -23.343 9.003 9.003 263 2HD1 LEU 34 HD22 LEU 34 -22.792 8.570 8.570 264 3HD1 LEU 34 HD21 LEU 34 -21.628 8.720 8.720 265 1HD2 LEU 34 HD12 LEU 34 -24.655 5.932 5.932 266 2HD2 LEU 34 HD11 LEU 34 -23.316 5.473 5.473 267 3HD2 LEU 34 HD13 LEU 34 -24.121 7.026 7.026 268 H VAL 35 HN VAL 35 -20.208 5.315 5.315 269 HA VAL 35 HA VAL 35 -21.581 2.727 2.727 270 HB VAL 35 HB VAL 35 -18.912 3.385 3.385 271 1HG1 VAL 35 HG23 VAL 35 -20.884 1.167 1.167 272 2HG1 VAL 35 HG22 VAL 35 -19.949 1.588 1.588 273 3HG1 VAL 35 HG21 VAL 35 -19.122 1.113 1.113 274 1HG2 VAL 35 HG11 VAL 35 -20.962 4.885 4.885 275 2HG2 VAL 35 HG13 VAL 35 -19.876 4.252 4.252 276 3HG2 VAL 35 HG12 VAL 35 -21.427 3.467 3.467 277 H HIS 36 HN HIS 36 -20.355 0.781 0.781 278 HA HIS 36 HA HIS 36 -18.903 1.168 1.168 279 1HB HIS 36 HB1 HIS 36 -20.727 -0.719 -0.719 280 2HB HIS 36 HB2 HIS 36 -19.198 -1.586 -1.586 281 HD2 HIS 36 HD2 HIS 36 -20.643 0.783 0.783 282 HE1 HIS 36 HE1 HIS 36 -19.195 -2.823 -2.823 283 HE2 HIS 36 HE2 HIS 36 -20.417 -0.651 -0.651 284 HA PRO 37 HA PRO 37 -14.813 0.794 0.794 285 1HB PRO 37 HB1 PRO 37 -13.762 -0.754 -0.754 286 2HB PRO 37 HB2 PRO 37 -13.876 1.008 1.008 287 1HG PRO 37 HG1 PRO 37 -15.684 -1.007 -1.007 288 2HG PRO 37 HG2 PRO 37 -15.166 0.576 0.576 289 1HD PRO 37 HD1 PRO 37 -17.605 0.228 0.228 290 2HD PRO 37 HD2 PRO 37 -16.692 1.724 1.724 291 H ASP 38 HN ASP 38 -16.323 -2.140 -2.140 292 HA ASP 38 HA ASP 38 -14.634 -3.915 -3.915 293 1HB ASP 38 HB1 ASP 38 -15.460 -4.910 -4.910 294 2HB ASP 38 HB2 ASP 38 -16.516 -5.587 -5.587 295 H ALA 39 HN ALA 39 -15.288 -2.394 -2.394 296 HA ALA 39 HA ALA 39 -17.607 -3.579 -3.579 297 1HB ALA 39 HB2 ALA 39 -16.638 -0.893 -0.893 298 2HB ALA 39 HB1 ALA 39 -16.641 -1.394 -1.394 299 3HB ALA 39 HB3 ALA 39 -18.124 -1.486 -1.486 300 H LEU 40 HN LEU 40 -17.213 -5.028 -5.028 301 HA LEU 40 HA LEU 40 -14.639 -4.917 -4.917 302 1HB LEU 40 HB2 LEU 40 -16.119 -7.484 -7.484 303 2HB LEU 40 HB1 LEU 40 -14.423 -7.237 -7.237 304 HG LEU 40 HG LEU 40 -14.151 -6.279 -6.279 305 1HD1 LEU 40 HD23 LEU 40 -17.032 -6.783 -6.783 306 2HD1 LEU 40 HD22 LEU 40 -16.187 -7.397 -7.397 307 3HD1 LEU 40 HD21 LEU 40 -16.068 -5.690 -5.690 308 1HD2 LEU 40 HD11 LEU 40 -14.668 -9.061 -9.061 309 2HD2 LEU 40 HD13 LEU 40 -13.308 -8.349 -8.349 310 3HD2 LEU 40 HD12 LEU 40 -14.799 -8.734 -8.734 311 H ASN 41 HN ASN 41 -14.760 -6.231 -6.231 312 HA ASN 41 HA ASN 41 -17.366 -5.773 -5.773 313 1HB ASN 41 HB2 ASN 41 -16.226 -5.064 -5.064 314 2HB ASN 41 HB1 ASN 41 -15.687 -4.071 -4.071 315 1HD2 ASN 41 HD22 ASN 41 -12.357 -4.886 -4.886 316 2HD2 ASN 41 HD21 ASN 41 -13.584 -3.930 -3.930 317 H ARG 42 HN ARG 42 -16.919 -6.855 -6.855 318 HA ARG 42 HA ARG 42 -17.461 -9.481 -9.481 319 1HB ARG 42 HB2 ARG 42 -16.040 -7.898 -7.898 320 2HB ARG 42 HB1 ARG 42 -16.087 -9.647 -9.647 321 1HG ARG 42 HG2 ARG 42 -18.077 -9.436 -9.436 322 2HG ARG 42 HG1 ARG 42 -18.705 -8.891 -8.891 323 1HD ARG 42 HD1 ARG 42 -19.193 -6.964 -6.964 324 2HD ARG 42 HD2 ARG 42 -17.459 -6.650 -6.650 325 HE ARG 42 HE ARG 42 -17.541 -6.911 -6.911 326 1HH1 ARG 42 HH21 ARG 42 -20.282 -8.543 -8.543 327 2HH1 ARG 42 HH22 ARG 42 -20.973 -8.967 -8.967 328 1HH2 ARG 42 HH11 ARG 42 -18.441 -7.466 -7.466 329 2HH2 ARG 42 HH12 ARG 42 -19.927 -8.355 -8.355 330 H PHE 43 HN PHE 43 -14.307 -8.031 -8.031 331 HA PHE 43 HA PHE 43 -12.787 -10.419 -10.419 332 1HB PHE 43 HB1 PHE 43 -12.284 -7.643 -7.643 333 2HB PHE 43 HB2 PHE 43 -11.462 -8.560 -8.560 334 HD1 PHE 43 HD1 PHE 43 -9.729 -10.194 -10.194 335 HD2 PHE 43 HD2 PHE 43 -11.583 -7.753 -7.753 336 HE1 PHE 43 HE1 PHE 43 -7.911 -10.732 -10.732 337 HE2 PHE 43 HE2 PHE 43 -9.769 -8.287 -8.287 338 HZ PHE 43 HZ PHE 43 -7.924 -9.770 -9.770 339 H GLY 44 HN GLY 44 -13.886 -8.521 -8.521 340 1HA GLY 44 HA1 GLY 44 -14.832 -9.661 -9.661 341 2HA GLY 44 HA2 GLY 44 -13.747 -11.003 -11.003 342 H LYS 45 HN LYS 45 -12.408 -7.869 -7.869 343 HA LYS 45 HA LYS 45 -10.893 -8.287 -8.287 344 1HB LYS 45 HB1 LYS 45 -10.300 -6.589 -6.589 345 2HB LYS 45 HB2 LYS 45 -9.292 -6.642 -6.642 346 1HG LYS 45 HG2 LYS 45 -8.502 -8.738 -8.738 347 2HG LYS 45 HG1 LYS 45 -9.937 -9.198 -9.198 348 1HD LYS 45 HD2 LYS 45 -9.162 -8.285 -8.285 349 2HD LYS 45 HD1 LYS 45 -8.283 -7.001 -7.001 350 1HE LYS 45 HE2 LYS 45 -6.853 -8.717 -8.717 351 2HE LYS 45 HE1 LYS 45 -6.496 -8.456 -8.456 352 1HZ LYS 45 HZ2 LYS 45 -8.237 -10.649 -10.649 353 2HZ LYS 45 HZ1 LYS 45 -6.575 -10.830 -10.830 354 3HZ LYS 45 HZ3 LYS 45 -7.598 -10.453 -10.453 355 H THR 46 HN THR 46 -10.194 -6.225 -6.225 356 HA THR 46 HA THR 46 -12.568 -4.661 -4.661 357 HB THR 46 HB THR 46 -11.089 -3.642 -3.642 358 HG1 THR 46 HG1 THR 46 -9.309 -5.721 -5.721 359 1HG2 THR 46 HG21 THR 46 -12.516 -5.834 -5.834 360 2HG2 THR 46 HG23 THR 46 -10.928 -6.584 -6.584 361 3HG2 THR 46 HG22 THR 46 -11.425 -5.331 -5.331 362 H ALA 47 HN ALA 47 -12.410 -2.283 -2.283 363 HA ALA 47 HA ALA 47 -11.729 -1.038 -1.038 364 1HB ALA 47 HB3 ALA 47 -13.315 -0.122 -0.122 365 2HB ALA 47 HB2 ALA 47 -11.964 0.269 0.269 366 3HB ALA 47 HB1 ALA 47 -12.112 1.066 1.066 367 H LEU 48 HN LEU 48 -9.908 -1.192 -1.192 368 HA LEU 48 HA LEU 48 -7.776 0.464 0.464 369 1HB LEU 48 HB1 LEU 48 -8.504 -0.717 -0.717 370 2HB LEU 48 HB2 LEU 48 -7.163 -1.746 -1.746 371 HG LEU 48 HG LEU 48 -5.732 0.295 0.295 372 1HD1 LEU 48 HD22 LEU 48 -7.893 1.754 1.754 373 2HD1 LEU 48 HD21 LEU 48 -7.795 1.788 1.788 374 3HD1 LEU 48 HD23 LEU 48 -6.453 2.396 2.396 375 1HD2 LEU 48 HD11 LEU 48 -6.382 -1.182 -1.182 376 2HD2 LEU 48 HD13 LEU 48 -5.114 0.042 0.042 377 3HD2 LEU 48 HD12 LEU 48 -6.714 0.453 0.453 378 H GLN 49 HN GLN 49 -8.061 -3.086 -3.086 379 HA GLN 49 HA GLN 49 -5.564 -3.718 -3.718 380 1HB GLN 49 HB2 GLN 49 -7.115 -5.387 -5.387 381 2HB GLN 49 HB1 GLN 49 -8.185 -5.146 -5.146 382 1HG GLN 49 HG1 GLN 49 -6.923 -6.397 -6.397 383 2HG GLN 49 HG2 GLN 49 -5.408 -5.861 -5.861 384 1HE2 GLN 49 HE22 GLN 49 -5.080 -9.040 -9.040 385 2HE2 GLN 49 HE21 GLN 49 -4.467 -7.814 -7.814 386 H VAL 50 HN VAL 50 -8.537 -3.853 -3.853 387 HA VAL 50 HA VAL 50 -7.272 -3.880 -3.880 388 HB VAL 50 HB VAL 50 -9.625 -4.471 -4.471 389 1HG1 VAL 50 HG22 VAL 50 -9.868 -2.297 -2.297 390 2HG1 VAL 50 HG21 VAL 50 -10.535 -1.664 -1.664 391 3HG1 VAL 50 HG23 VAL 50 -11.239 -3.102 -3.102 392 1HG2 VAL 50 HG13 VAL 50 -8.520 -2.921 -2.921 393 2HG2 VAL 50 HG12 VAL 50 -9.870 -4.051 -4.051 394 3HG2 VAL 50 HG11 VAL 50 -10.169 -2.345 -2.345 395 H MET 51 HN MET 51 -7.880 -1.249 -1.249 396 HA MET 51 HA MET 51 -8.090 0.995 0.995 397 1HB MET 51 HB1 MET 51 -7.386 0.537 0.537 398 2HB MET 51 HB2 MET 51 -5.820 1.037 1.037 399 1HG MET 51 HG2 MET 51 -7.755 2.871 2.871 400 2HG MET 51 HG1 MET 51 -8.024 2.644 2.644 401 1HE MET 51 HE2 MET 51 -5.554 1.749 1.749 402 2HE MET 51 HE1 MET 51 -4.037 2.393 2.393 403 3HE MET 51 HE3 MET 51 -4.862 3.212 3.212 404 H MET 52 HN MET 52 -7.024 2.103 2.103 405 HA MET 52 HA MET 52 -4.563 0.937 0.937 406 1HB MET 52 HB1 MET 52 -5.024 2.033 2.033 407 2HB MET 52 HB2 MET 52 -6.611 1.559 1.559 408 1HG MET 52 HG2 MET 52 -7.001 3.806 3.806 409 2HG MET 52 HG1 MET 52 -5.388 4.293 4.293 410 1HE MET 52 HE1 MET 52 -6.394 6.327 6.327 411 2HE MET 52 HE3 MET 52 -5.057 5.568 5.568 412 3HE MET 52 HE2 MET 52 -6.491 6.092 6.092 413 H PHE 53 HN PHE 53 -4.992 2.843 2.843 414 HA PHE 53 HA PHE 53 -3.996 4.679 4.679 415 1HB PHE 53 HB1 PHE 53 -1.608 3.669 3.669 416 2HB PHE 53 HB2 PHE 53 -1.581 4.610 4.610 417 HD1 PHE 53 HD2 PHE 53 -3.188 1.451 1.451 418 HD2 PHE 53 HD1 PHE 53 -1.023 3.440 3.440 419 HE1 PHE 53 HE2 PHE 53 -3.162 -0.631 -0.631 420 HE2 PHE 53 HE1 PHE 53 -0.995 1.360 1.360 421 HZ PHE 53 HZ PHE 53 -2.071 -0.682 -0.682 422 H GLY 54 HN GLY 54 -5.216 5.083 5.083 423 1HA GLY 54 HA1 GLY 54 -3.659 6.777 6.777 424 2HA GLY 54 HA2 GLY 54 -5.415 6.779 6.779 425 H SER 55 HN SER 55 -6.310 7.860 7.860 426 HA SER 55 HA SER 55 -5.016 10.468 10.468 427 1HB SER 55 HB1 SER 55 -7.772 9.448 9.448 428 2HB SER 55 HB2 SER 55 -7.331 10.715 10.715 429 HG SER 55 HG SER 55 -7.168 12.122 12.122 430 HA PRO 56 HA PRO 56 -3.391 9.627 9.627 431 1HB PRO 56 HB1 PRO 56 -3.177 12.171 12.171 432 2HB PRO 56 HB2 PRO 56 -2.079 11.493 11.493 433 1HG PRO 56 HG1 PRO 56 -4.471 13.253 13.253 434 2HG PRO 56 HG2 PRO 56 -2.874 13.355 13.355 435 1HD PRO 56 HD1 PRO 56 -5.003 12.268 12.268 436 2HD PRO 56 HD2 PRO 56 -3.350 11.669 11.669 437 H ALA 57 HN ALA 57 -6.025 12.012 12.012 438 HA ALA 57 HA ALA 57 -6.831 11.805 11.805 439 1HB ALA 57 HB1 ALA 57 -7.453 13.565 13.565 440 2HB ALA 57 HB3 ALA 57 -8.762 12.452 12.452 441 3HB ALA 57 HB2 ALA 57 -8.644 13.134 13.134 442 H VAL 58 HN VAL 58 -7.596 9.919 9.919 443 HA VAL 58 HA VAL 58 -9.839 8.551 8.551 444 HB VAL 58 HB VAL 58 -7.802 7.996 7.996 445 1HG1 VAL 58 HG13 VAL 58 -8.253 5.826 5.826 446 2HG1 VAL 58 HG12 VAL 58 -9.982 6.075 6.075 447 3HG1 VAL 58 HG11 VAL 58 -8.911 5.927 5.927 448 1HG2 VAL 58 HG22 VAL 58 -10.085 9.440 9.440 449 2HG2 VAL 58 HG21 VAL 58 -9.394 8.678 8.678 450 3HG2 VAL 58 HG23 VAL 58 -10.688 7.874 7.874 451 H ALA 59 HN ALA 59 -6.406 8.150 8.150 452 HA ALA 59 HA ALA 59 -6.378 5.543 5.543 453 1HB ALA 59 HB2 ALA 59 -4.522 7.814 7.814 454 2HB ALA 59 HB1 ALA 59 -4.252 6.710 6.710 455 3HB ALA 59 HB3 ALA 59 -4.246 6.099 6.099 456 H LEU 60 HN LEU 60 -6.007 8.603 8.603 457 HA LEU 60 HA LEU 60 -6.407 7.464 7.464 458 1HB LEU 60 HB2 LEU 60 -5.289 9.606 9.606 459 2HB LEU 60 HB1 LEU 60 -6.778 10.314 10.314 460 HG LEU 60 HG LEU 60 -7.808 10.070 10.070 461 1HD1 LEU 60 HD22 LEU 60 -5.860 8.119 8.119 462 2HD1 LEU 60 HD21 LEU 60 -5.447 9.414 9.414 463 3HD1 LEU 60 HD23 LEU 60 -7.053 8.685 8.685 464 1HD2 LEU 60 HD11 LEU 60 -5.339 11.594 11.594 465 2HD2 LEU 60 HD13 LEU 60 -6.930 12.133 12.133 466 3HD2 LEU 60 HD12 LEU 60 -5.809 11.405 11.405 467 H GLU 61 HN GLU 61 -8.639 8.643 8.643 468 HA GLU 61 HA GLU 61 -10.887 9.028 9.028 469 1HB GLU 61 HB2 GLU 61 -10.345 8.839 8.839 470 2HB GLU 61 HB1 GLU 61 -11.915 8.180 8.180 471 1HG GLU 61 HG1 GLU 61 -12.547 10.320 10.320 472 2HG GLU 61 HG2 GLU 61 -12.031 10.456 10.456 473 H LEU 62 HN LEU 62 -10.495 6.340 6.340 474 HA LEU 62 HA LEU 62 -12.404 4.707 4.707 475 1HB LEU 62 HB2 LEU 62 -12.085 3.317 3.317 476 2HB LEU 62 HB1 LEU 62 -11.149 4.644 4.644 477 HG LEU 62 HG LEU 62 -9.121 3.522 3.522 478 1HD1 LEU 62 HD23 LEU 62 -11.250 1.628 1.628 479 2HD1 LEU 62 HD22 LEU 62 -9.857 0.887 0.887 480 3HD1 LEU 62 HD21 LEU 62 -9.642 1.798 1.798 481 1HD2 LEU 62 HD13 LEU 62 -10.593 2.483 2.483 482 2HD2 LEU 62 HD12 LEU 62 -9.162 3.512 3.512 483 3HD2 LEU 62 HD11 LEU 62 -9.040 1.802 1.802 484 H LEU 63 HN LEU 63 -9.009 5.174 5.174 485 HA LEU 63 HA LEU 63 -8.432 2.783 2.783 486 1HB LEU 63 HB2 LEU 63 -6.680 4.263 4.263 487 2HB LEU 63 HB1 LEU 63 -7.229 5.534 5.534 488 HG LEU 63 HG LEU 63 -6.664 3.214 3.214 489 1HD1 LEU 63 HD23 LEU 63 -5.136 3.118 3.118 490 2HD1 LEU 63 HD22 LEU 63 -4.097 3.990 3.990 491 3HD1 LEU 63 HD21 LEU 63 -4.715 2.394 2.394 492 1HD2 LEU 63 HD11 LEU 63 -6.293 5.998 5.998 493 2HD2 LEU 63 HD13 LEU 63 -5.991 4.841 4.841 494 3HD2 LEU 63 HD12 LEU 63 -4.694 5.277 5.277 495 H LYS 64 HN LYS 64 -9.013 6.005 6.005 496 HA LYS 64 HA LYS 64 -9.304 5.055 5.055 497 1HB LYS 64 HB1 LYS 64 -9.649 7.236 7.236 498 2HB LYS 64 HB2 LYS 64 -8.974 7.484 7.484 499 1HG LYS 64 HG2 LYS 64 -11.213 7.718 7.718 500 2HG LYS 64 HG1 LYS 64 -11.909 7.442 7.442 501 1HD LYS 64 HD1 LYS 64 -11.427 9.528 9.528 502 2HD LYS 64 HD2 LYS 64 -9.890 9.580 9.580 503 1HE LYS 64 HE2 LYS 64 -12.418 9.641 9.641 504 2HE LYS 64 HE1 LYS 64 -11.920 11.101 11.101 505 1HZ LYS 64 HZ3 LYS 64 -10.181 9.618 9.618 506 2HZ LYS 64 HZ2 LYS 64 -11.117 10.960 10.960 507 3HZ LYS 64 HZ1 LYS 64 -9.872 11.126 11.126 508 H GLN 65 HN GLN 65 -11.433 4.996 4.996 509 HA GLN 65 HA GLN 65 -13.952 5.197 5.197 510 1HB GLN 65 HB2 GLN 65 -12.817 4.186 4.186 511 2HB GLN 65 HB1 GLN 65 -13.844 2.902 2.902 512 1HG GLN 65 HG1 GLN 65 -14.917 5.675 5.675 513 2HG GLN 65 HG2 GLN 65 -14.795 4.716 4.716 514 1HE2 GLN 65 HE22 GLN 65 -17.385 2.506 2.506 515 2HE2 GLN 65 HE21 GLN 65 -15.979 2.766 2.766 516 H GLY 66 HN GLY 66 -11.590 2.745 2.745 517 1HA GLY 66 HA1 GLY 66 -12.094 1.613 1.613 518 2HA GLY 66 HA2 GLY 66 -13.604 1.144 1.144 519 H ALA 67 HN ALA 67 -11.351 1.123 1.123 520 HA ALA 67 HA ALA 67 -11.304 -1.712 -1.712 521 1HB ALA 67 HB3 ALA 67 -11.056 0.220 0.220 522 2HB ALA 67 HB2 ALA 67 -9.348 -0.132 -0.132 523 3HB ALA 67 HB1 ALA 67 -10.443 -1.414 -1.414 524 H SER 68 HN SER 68 -8.876 -2.537 -2.537 525 HA SER 68 HA SER 68 -6.951 -1.762 -1.762 526 1HB SER 68 HB2 SER 68 -8.577 -4.119 -4.119 527 2HB SER 68 HB1 SER 68 -6.895 -4.595 -4.595 528 HG SER 68 HG SER 68 -6.654 -2.771 -2.771 529 HA PRO 69 HA PRO 69 -4.318 -2.345 -2.345 530 1HB PRO 69 HB1 PRO 69 -1.945 -2.008 -2.008 531 2HB PRO 69 HB2 PRO 69 -3.023 -0.663 -0.663 532 1HG PRO 69 HG2 PRO 69 -2.676 -2.122 -2.122 533 2HG PRO 69 HG1 PRO 69 -2.830 -0.381 -0.381 534 1HD PRO 69 HD2 PRO 69 -4.902 -1.903 -1.903 535 2HD PRO 69 HD1 PRO 69 -5.124 -0.490 -0.490 536 H ASN 70 HN ASN 70 -4.393 -4.317 -4.317 537 HA ASN 70 HA ASN 70 -2.360 -6.167 -6.167 538 1HB ASN 70 HB1 ASN 70 -4.405 -6.546 -6.546 539 2HB ASN 70 HB2 ASN 70 -2.904 -7.441 -7.441 540 1HD2 ASN 70 HD22 ASN 70 -0.838 -4.770 -4.770 541 2HD2 ASN 70 HD21 ASN 70 -0.910 -6.023 -6.023 542 H VAL 71 HN VAL 71 -3.394 -6.489 -6.489 543 HA VAL 71 HA VAL 71 -5.385 -8.652 -8.652 544 HB VAL 71 HB VAL 71 -6.359 -7.849 -7.849 545 1HG1 VAL 71 HG21 VAL 71 -6.642 -6.671 -6.671 546 2HG1 VAL 71 HG23 VAL 71 -7.014 -5.490 -5.490 547 3HG1 VAL 71 HG22 VAL 71 -7.876 -7.027 -7.027 548 1HG2 VAL 71 HG11 VAL 71 -4.175 -5.933 -5.933 549 2HG2 VAL 71 HG13 VAL 71 -5.105 -6.426 -6.426 550 3HG2 VAL 71 HG12 VAL 71 -5.732 -5.177 -5.177 551 H GLN 72 HN GLN 72 -5.017 -10.396 -10.396 552 HA GLN 72 HA GLN 72 -2.970 -10.250 -10.250 553 1HB GLN 72 HB2 GLN 72 -2.819 -12.495 -12.495 554 2HB GLN 72 HB1 GLN 72 -1.585 -11.912 -11.912 555 1HG GLN 72 HG2 GLN 72 -1.655 -9.759 -9.759 556 2HG GLN 72 HG1 GLN 72 -2.446 -10.780 -10.780 557 1HE2 GLN 72 HE22 GLN 72 0.488 -12.919 -12.919 558 2HE2 GLN 72 HE21 GLN 72 -1.202 -13.082 -13.082 559 H ASP 73 HN ASP 73 -2.967 -12.106 -12.106 560 HA ASP 73 HA ASP 73 -5.272 -13.886 -13.886 561 1HB ASP 73 HB2 ASP 73 -5.521 -13.315 -13.315 562 2HB ASP 73 HB1 ASP 73 -6.398 -12.429 -12.429 563 H ALA 74 HN ALA 74 -3.141 -13.061 -13.061 564 HA ALA 74 HA ALA 74 -2.475 -15.847 -15.847 565 1HB ALA 74 HB2 ALA 74 -2.310 -13.403 -13.403 566 2HB ALA 74 HB1 ALA 74 -0.890 -14.434 -14.434 567 3HB ALA 74 HB3 ALA 74 -2.494 -15.077 -15.077 568 H SER 75 HN SER 75 -1.318 -16.284 -16.284 569 HA SER 75 HA SER 75 0.650 -16.725 -16.725 570 1HB SER 75 HB2 SER 75 1.504 -16.165 -16.165 571 2HB SER 75 HB1 SER 75 2.385 -14.971 -14.971 572 HG SER 75 HG SER 75 2.675 -17.700 -17.700 573 H GLY 76 HN GLY 76 0.696 -13.359 -13.359 574 1HA GLY 76 HA1 GLY 76 0.165 -12.133 -12.133 575 2HA GLY 76 HA2 GLY 76 1.910 -12.323 -12.323 576 H THR 77 HN THR 77 -0.656 -11.381 -11.381 577 HA THR 77 HA THR 77 1.070 -9.185 -9.185 578 HB THR 77 HB THR 77 -1.462 -10.139 -10.139 579 HG1 THR 77 HG1 THR 77 -0.317 -11.615 -11.615 580 1HG2 THR 77 HG22 THR 77 0.499 -8.133 -8.133 581 2HG2 THR 77 HG21 THR 77 0.426 -9.360 -9.360 582 3HG2 THR 77 HG23 THR 77 -1.036 -8.494 -8.494 583 H SER 78 HN SER 78 0.428 -8.157 -8.157 584 HA SER 78 HA SER 78 -2.238 -7.178 -7.178 585 1HB SER 78 HB2 SER 78 -0.249 -5.622 -5.622 586 2HB SER 78 HB1 SER 78 -1.526 -6.657 -6.657 587 HG SER 78 HG SER 78 0.861 -7.200 -7.200 588 HA PRO 79 HA PRO 79 -2.435 -3.364 -3.364 589 1HB PRO 79 HB1 PRO 79 -2.507 -1.441 -1.441 590 2HB PRO 79 HB2 PRO 79 -3.902 -2.290 -2.290 591 1HG PRO 79 HG2 PRO 79 -2.357 -2.844 -2.844 592 2HG PRO 79 HG1 PRO 79 -4.098 -2.995 -2.995 593 1HD PRO 79 HD1 PRO 79 -2.512 -5.147 -5.147 594 2HD PRO 79 HD2 PRO 79 -3.863 -5.049 -5.049 595 H VAL 80 HN VAL 80 -0.196 -3.185 -3.185 596 HA VAL 80 HA VAL 80 1.375 -1.065 -1.065 597 HB VAL 80 HB VAL 80 3.231 -2.463 -2.463 598 1HG1 VAL 80 HG23 VAL 80 1.802 -0.389 -0.389 599 2HG1 VAL 80 HG22 VAL 80 0.956 -1.551 -1.551 600 3HG1 VAL 80 HG21 VAL 80 2.688 -1.289 -1.289 601 1HG2 VAL 80 HG11 VAL 80 1.451 -4.430 -4.430 602 2HG2 VAL 80 HG13 VAL 80 2.575 -4.246 -4.246 603 3HG2 VAL 80 HG12 VAL 80 0.915 -3.669 -3.669 604 H HIS 81 HN HIS 81 1.229 -4.331 -4.331 605 HA HIS 81 HA HIS 81 3.792 -4.413 -4.413 606 1HB HIS 81 HB1 HIS 81 1.624 -6.195 -6.195 607 2HB HIS 81 HB2 HIS 81 1.911 -6.105 -6.105 608 HD2 HIS 81 HD2 HIS 81 4.284 -7.203 -7.203 609 HE1 HIS 81 HE1 HIS 81 5.447 -8.713 -8.713 610 HE2 HIS 81 HE2 HIS 81 6.041 -8.583 -8.583 611 H ASP 82 HN ASP 82 0.586 -4.356 -4.356 612 HA ASP 82 HA ASP 82 1.545 -3.560 -3.560 613 1HB ASP 82 HB1 ASP 82 -1.142 -2.608 -2.608 614 2HB ASP 82 HB2 ASP 82 -0.951 -4.217 -4.217 615 H ALA 83 HN ALA 83 0.808 -1.738 -1.738 616 HA ALA 83 HA ALA 83 0.327 0.789 0.789 617 1HB ALA 83 HB2 ALA 83 0.282 -0.030 -0.030 618 2HB ALA 83 HB1 ALA 83 1.990 0.408 0.408 619 3HB ALA 83 HB3 ALA 83 0.769 1.634 1.634 620 H ALA 84 HN ALA 84 3.456 -0.619 -0.619 621 HA ALA 84 HA ALA 84 5.036 1.555 1.555 622 1HB ALA 84 HB2 ALA 84 5.652 -0.459 -0.459 623 2HB ALA 84 HB1 ALA 84 6.028 -1.272 -1.272 624 3HB ALA 84 HB3 ALA 84 6.886 0.202 0.202 625 H ARG 85 HN ARG 85 4.130 -1.426 -1.426 626 HA ARG 85 HA ARG 85 5.592 -0.772 -0.772 627 1HB ARG 85 HB1 ARG 85 4.641 -3.078 -3.078 628 2HB ARG 85 HB2 ARG 85 3.270 -2.639 -2.639 629 1HG ARG 85 HG1 ARG 85 4.336 -3.395 -3.395 630 2HG ARG 85 HG2 ARG 85 5.627 -2.221 -2.221 631 1HD ARG 85 HD2 ARG 85 6.422 -3.960 -3.960 632 2HD ARG 85 HD1 ARG 85 5.462 -5.082 -5.082 633 HE ARG 85 HE ARG 85 8.016 -4.073 -4.073 634 1HH1 ARG 85 HH11 ARG 85 4.944 -4.845 -4.845 635 2HH1 ARG 85 HH12 ARG 85 5.620 -5.187 -5.187 636 1HH2 ARG 85 HH21 ARG 85 8.915 -4.520 -4.520 637 2HH2 ARG 85 HH22 ARG 85 7.876 -5.001 -5.001 638 H THR 86 HN THR 86 2.379 -0.118 -0.118 639 HA THR 86 HA THR 86 1.218 0.578 0.578 640 HB THR 86 HB THR 86 -0.436 1.832 1.832 641 HG1 THR 86 HG1 THR 86 0.758 2.135 2.135 642 1HG2 THR 86 HG23 THR 86 -0.050 -0.989 -0.989 643 2HG2 THR 86 HG22 THR 86 -0.779 -0.651 -0.651 644 3HG2 THR 86 HG21 THR 86 -1.546 -0.060 -0.060 645 H GLY 87 HN GLY 87 3.650 2.046 2.046 646 1HA GLY 87 HA1 GLY 87 4.636 4.118 4.118 647 2HA GLY 87 HA2 GLY 87 3.880 4.256 4.256 648 H PHE 88 HN PHE 88 3.233 4.651 4.651 649 HA PHE 88 HA PHE 88 1.938 7.167 7.167 650 1HB PHE 88 HB2 PHE 88 0.341 4.725 4.725 651 2HB PHE 88 HB1 PHE 88 -0.169 6.305 6.305 652 HD1 PHE 88 HD2 PHE 88 0.422 8.067 8.067 653 HD2 PHE 88 HD1 PHE 88 -1.155 4.105 4.105 654 HE1 PHE 88 HE2 PHE 88 -0.684 8.509 8.509 655 HE2 PHE 88 HE1 PHE 88 -2.263 4.539 4.539 656 HZ PHE 88 HZ PHE 88 -2.028 6.744 6.744 657 H LEU 89 HN LEU 89 4.090 7.054 7.054 658 HA LEU 89 HA LEU 89 4.095 6.240 6.240 659 1HB LEU 89 HB2 LEU 89 6.108 7.013 7.013 660 2HB LEU 89 HB1 LEU 89 5.429 8.614 8.614 661 HG LEU 89 HG LEU 89 7.140 8.298 8.298 662 1HD1 LEU 89 HD11 LEU 89 5.084 10.052 10.052 663 2HD1 LEU 89 HD13 LEU 89 4.780 9.452 9.452 664 3HD1 LEU 89 HD12 LEU 89 6.334 10.186 10.186 665 1HD2 LEU 89 HD21 LEU 89 4.815 6.755 6.755 666 2HD2 LEU 89 HD23 LEU 89 6.539 6.403 6.403 667 3HD2 LEU 89 HD22 LEU 89 5.832 7.664 7.664 668 H ASP 90 HN ASP 90 2.540 8.987 8.987 669 HA ASP 90 HA ASP 90 2.128 10.593 10.593 670 1HB ASP 90 HB2 ASP 90 0.124 11.448 11.448 671 2HB ASP 90 HB1 ASP 90 0.442 10.205 10.205 672 H THR 91 HN THR 91 -0.337 8.499 8.499 673 HA THR 91 HA THR 91 -1.960 8.487 8.487 674 HB THR 91 HB THR 91 -2.085 6.555 6.555 675 HG1 THR 91 HG1 THR 91 -2.248 8.492 8.492 676 1HG2 THR 91 HG22 THR 91 -4.142 7.490 7.490 677 2HG2 THR 91 HG21 THR 91 -4.534 6.649 6.649 678 3HG2 THR 91 HG23 THR 91 -3.561 5.847 5.847 679 H LEU 92 HN LEU 92 0.684 6.573 6.573 680 HA LEU 92 HA LEU 92 0.122 4.250 4.250 681 1HB LEU 92 HB1 LEU 92 1.549 3.939 3.939 682 2HB LEU 92 HB2 LEU 92 2.578 5.279 5.279 683 HG LEU 92 HG LEU 92 2.364 2.784 2.784 684 1HD1 LEU 92 HD11 LEU 92 3.622 3.118 3.118 685 2HD1 LEU 92 HD13 LEU 92 4.784 2.678 2.678 686 3HD1 LEU 92 HD12 LEU 92 3.375 1.659 1.659 687 1HD2 LEU 92 HD22 LEU 92 3.674 5.286 5.286 688 2HD2 LEU 92 HD21 LEU 92 3.722 3.890 3.890 689 3HD2 LEU 92 HD23 LEU 92 4.902 4.042 4.042 690 H LYS 93 HN LYS 93 2.128 7.122 7.122 691 HA LYS 93 HA LYS 93 3.251 6.324 6.324 692 1HB LYS 93 HB1 LYS 93 4.118 8.529 8.529 693 2HB LYS 93 HB2 LYS 93 4.144 8.097 8.097 694 1HG LYS 93 HG2 LYS 93 2.642 9.675 9.675 695 2HG LYS 93 HG1 LYS 93 1.726 9.491 9.491 696 1HD LYS 93 HD1 LYS 93 2.638 11.579 11.579 697 2HD LYS 93 HD2 LYS 93 3.851 10.564 10.564 698 1HE LYS 93 HE2 LYS 93 5.288 10.678 10.678 699 2HE LYS 93 HE1 LYS 93 4.030 11.409 11.409 700 1HZ LYS 93 HZ1 LYS 93 4.321 13.080 13.080 701 2HZ LYS 93 HZ3 LYS 93 5.901 12.663 12.663 702 3HZ LYS 93 HZ2 LYS 93 4.863 13.361 13.361 703 H VAL 94 HN VAL 94 0.274 7.998 7.998 704 HA VAL 94 HA VAL 94 -0.292 9.011 9.011 705 HB VAL 94 HB VAL 94 -2.732 8.891 8.891 706 1HG1 VAL 94 HG12 VAL 94 -0.537 10.652 10.652 707 2HG1 VAL 94 HG11 VAL 94 -1.751 10.699 10.699 708 3HG1 VAL 94 HG13 VAL 94 -2.214 11.037 11.037 709 1HG2 VAL 94 HG23 VAL 94 -1.272 8.254 8.254 710 2HG2 VAL 94 HG22 VAL 94 -2.494 7.270 7.270 711 3HG2 VAL 94 HG21 VAL 94 -2.935 8.820 8.820 712 H LEU 95 HN LEU 95 -1.532 6.073 6.073 713 HA LEU 95 HA LEU 95 -2.819 5.148 5.148 714 1HB LEU 95 HB1 LEU 95 -3.454 3.250 3.250 715 2HB LEU 95 HB2 LEU 95 -3.505 4.596 4.596 716 HG LEU 95 HG LEU 95 -0.950 3.618 3.618 717 1HD1 LEU 95 HD22 LEU 95 -2.253 1.611 1.611 718 2HD1 LEU 95 HD21 LEU 95 -2.414 1.129 1.129 719 3HD1 LEU 95 HD23 LEU 95 -0.816 1.423 1.423 720 1HD2 LEU 95 HD11 LEU 95 -3.163 4.137 4.137 721 2HD2 LEU 95 HD13 LEU 95 -1.628 3.517 3.517 722 3HD2 LEU 95 HD12 LEU 95 -2.943 2.404 2.404 723 H VAL 96 HN VAL 96 0.275 4.623 4.623 724 HA VAL 96 HA VAL 96 1.036 2.384 2.384 725 HB VAL 96 HB VAL 96 2.615 4.274 4.274 726 1HG1 VAL 96 HG13 VAL 96 3.581 2.489 2.489 727 2HG1 VAL 96 HG12 VAL 96 4.190 2.031 2.031 728 3HG1 VAL 96 HG11 VAL 96 4.463 3.663 3.663 729 1HG2 VAL 96 HG23 VAL 96 1.086 2.656 2.656 730 2HG2 VAL 96 HG22 VAL 96 2.782 2.393 2.393 731 3HG2 VAL 96 HG21 VAL 96 1.982 1.344 1.344 732 H GLU 97 HN GLU 97 2.013 5.815 5.815 733 HA GLU 97 HA GLU 97 3.701 5.745 5.745 734 1HB GLU 97 HB2 GLU 97 3.427 8.098 8.098 735 2HB GLU 97 HB1 GLU 97 3.260 7.701 7.701 736 1HG GLU 97 HG2 GLU 97 0.830 7.893 7.893 737 2HG GLU 97 HG1 GLU 97 1.611 9.361 9.361 738 H HIS 98 HN HIS 98 0.208 5.737 5.737 739 HA HIS 98 HA HIS 98 -0.373 6.461 6.461 740 1HB HIS 98 HB1 HIS 98 -1.852 5.709 5.709 741 2HB HIS 98 HB2 HIS 98 -2.060 4.319 4.319 742 HD2 HIS 98 HD2 HIS 98 -4.195 6.991 6.991 743 HE1 HIS 98 HE1 HIS 98 -4.158 7.099 7.099 744 HE2 HIS 98 HE2 HIS 98 -5.264 8.004 8.004 745 H GLY 99 HN GLY 99 1.134 3.641 3.641 746 1HA GLY 99 HA2 GLY 99 2.327 2.407 2.407 747 2HA GLY 99 HA1 GLY 99 0.746 2.286 2.286 748 H ALA 100 HN ALA 100 0.410 2.060 2.060 749 HA ALA 100 HA ALA 100 -0.611 -0.492 -0.492 750 1HB ALA 100 HB2 ALA 100 -0.519 1.418 1.418 751 2HB ALA 100 HB1 ALA 100 0.836 0.466 0.466 752 3HB ALA 100 HB3 ALA 100 -0.761 -0.268 -0.268 753 H ASP 101 HN ASP 101 0.184 -2.507 -2.507 754 HA ASP 101 HA ASP 101 2.676 -3.213 -3.213 755 1HB ASP 101 HB1 ASP 101 1.727 -5.107 -5.107 756 2HB ASP 101 HB2 ASP 101 0.434 -4.578 -4.578 757 H VAL 102 HN VAL 102 4.372 -2.083 -2.083 758 HA VAL 102 HA VAL 102 4.826 -2.291 -2.291 759 HB VAL 102 HB VAL 102 6.855 -0.748 -0.748 760 1HG1 VAL 102 HG12 VAL 102 4.098 -0.254 -0.254 761 2HG1 VAL 102 HG11 VAL 102 4.846 1.122 1.122 762 3HG1 VAL 102 HG13 VAL 102 5.602 0.427 0.427 763 1HG2 VAL 102 HG21 VAL 102 6.199 -1.060 -1.060 764 2HG2 VAL 102 HG23 VAL 102 6.446 0.602 0.602 765 3HG2 VAL 102 HG22 VAL 102 4.811 -0.028 -0.028 766 H ASN 103 HN ASN 103 5.233 -4.463 -4.463 767 HA ASN 103 HA ASN 103 8.026 -5.064 -5.064 768 1HB ASN 103 HB2 ASN 103 7.114 -6.350 -6.350 769 2HB ASN 103 HB1 ASN 103 8.615 -5.493 -5.493 770 1HD2 ASN 103 HD22 ASN 103 7.471 -2.378 -2.378 771 2HD2 ASN 103 HD21 ASN 103 8.563 -3.156 -3.156 772 H ALA 104 HN ALA 104 5.150 -5.799 -5.799 773 HA ALA 104 HA ALA 104 5.190 -8.687 -8.687 774 1HB ALA 104 HB3 ALA 104 3.185 -6.730 -6.730 775 2HB ALA 104 HB2 ALA 104 3.169 -7.927 -7.927 776 3HB ALA 104 HB1 ALA 104 2.989 -8.441 -8.441 777 H LEU 105 HN LEU 105 4.939 -10.104 -10.104 778 HA LEU 105 HA LEU 105 6.090 -9.051 -9.051 779 1HB LEU 105 HB2 LEU 105 7.170 -11.668 -11.668 780 2HB LEU 105 HB1 LEU 105 7.963 -10.306 -10.306 781 HG LEU 105 HG LEU 105 7.285 -10.223 -10.223 782 1HD1 LEU 105 HD12 LEU 105 8.635 -12.309 -12.309 783 2HD1 LEU 105 HD11 LEU 105 9.948 -11.165 -11.165 784 3HD1 LEU 105 HD13 LEU 105 9.236 -11.310 -11.310 785 1HD2 LEU 105 HD21 LEU 105 8.129 -8.266 -8.266 786 2HD2 LEU 105 HD23 LEU 105 8.726 -8.453 -8.453 787 3HD2 LEU 105 HD22 LEU 105 9.696 -9.021 -9.021 788 H ASP 106 HN ASP 106 6.237 -11.093 -11.093 789 HA ASP 106 HA ASP 106 3.668 -12.487 -12.487 790 1HB ASP 106 HB1 ASP 106 3.903 -10.615 -10.615 791 2HB ASP 106 HB2 ASP 106 3.235 -12.161 -12.161 792 H SER 107 HN SER 107 4.143 -13.966 -13.966 793 HA SER 107 HA SER 107 5.232 -16.297 -16.297 794 1HB SER 107 HB1 SER 107 5.778 -16.536 -16.536 795 2HB SER 107 HB2 SER 107 4.192 -16.814 -16.814 796 HG SER 107 HG SER 107 5.086 -14.725 -14.725 797 H THR 108 HN THR 108 6.878 -14.021 -14.021 798 HA THR 108 HA THR 108 9.383 -15.273 -15.273 799 HB THR 108 HB THR 108 9.611 -12.408 -12.408 800 HG1 THR 108 HG1 THR 108 8.111 -12.095 -12.095 801 1HG2 THR 108 HG21 THR 108 10.626 -14.715 -14.715 802 2HG2 THR 108 HG23 THR 108 9.679 -13.924 -13.924 803 3HG2 THR 108 HG22 THR 108 10.970 -13.043 -13.043 804 H GLY 109 HN GLY 109 7.878 -12.891 -12.891 805 1HA GLY 109 HA2 GLY 109 8.468 -12.642 -12.642 806 2HA GLY 109 HA1 GLY 109 10.061 -13.285 -13.285 807 H SER 110 HN SER 110 9.704 -11.264 -11.264 808 HA SER 110 HA SER 110 11.454 -9.313 -9.313 809 1HB SER 110 HB1 SER 110 9.809 -8.415 -8.415 810 2HB SER 110 HB2 SER 110 11.556 -8.634 -8.634 811 HG SER 110 HG SER 110 10.488 -10.070 -10.070 812 H LEU 111 HN LEU 111 11.017 -7.842 -7.842 813 HA LEU 111 HA LEU 111 8.457 -7.091 -7.091 814 1HB LEU 111 HB1 LEU 111 11.074 -6.633 -6.633 815 2HB LEU 111 HB2 LEU 111 10.455 -5.033 -5.033 816 HG LEU 111 HG LEU 111 8.532 -6.528 -6.528 817 1HD1 LEU 111 HD23 LEU 111 10.583 -7.693 -7.693 818 2HD1 LEU 111 HD22 LEU 111 11.219 -6.135 -6.135 819 3HD1 LEU 111 HD21 LEU 111 9.757 -6.785 -6.785 820 1HD2 LEU 111 HD12 LEU 111 9.505 -3.899 -3.899 821 2HD2 LEU 111 HD11 LEU 111 8.128 -4.452 -4.452 822 3HD2 LEU 111 HD13 LEU 111 9.726 -4.346 -4.346 823 HA PRO 112 HA PRO 112 6.718 -4.158 -4.158 824 1HB PRO 112 HB2 PRO 112 6.767 -2.325 -2.325 825 2HB PRO 112 HB1 PRO 112 5.455 -2.650 -2.650 826 1HG PRO 112 HG1 PRO 112 5.477 -3.779 -3.779 827 2HG PRO 112 HG2 PRO 112 4.917 -4.675 -4.675 828 1HD PRO 112 HD2 PRO 112 7.427 -4.968 -4.968 829 2HD PRO 112 HD1 PRO 112 6.542 -6.170 -6.170 830 H ILE 113 HN ILE 113 9.357 -3.128 -3.128 831 HA ILE 113 HA ILE 113 10.028 -0.808 -0.808 832 HB ILE 113 HB ILE 113 10.710 -0.860 -0.860 833 1HG1 ILE 113 HG11 ILE 113 13.074 -0.334 -0.334 834 2HG1 ILE 113 HG12 ILE 113 13.187 -1.231 -1.231 835 1HG2 ILE 113 HG23 ILE 113 12.081 -3.429 -3.429 836 2HG2 ILE 113 HG22 ILE 113 12.492 -2.522 -2.522 837 3HG2 ILE 113 HG21 ILE 113 10.858 -3.152 -3.152 838 1HD1 ILE 113 HD12 ILE 113 11.379 0.457 0.457 839 2HD1 ILE 113 HD11 ILE 113 11.971 1.432 1.432 840 3HD1 ILE 113 HD13 ILE 113 13.075 0.932 0.932 841 H HIS 114 HN HIS 114 11.168 -4.146 -4.146 842 HA HIS 114 HA HIS 114 13.377 -3.833 -3.833 843 1HB HIS 114 HB1 HIS 114 11.601 -6.261 -6.261 844 2HB HIS 114 HB2 HIS 114 13.224 -6.255 -6.255 845 HD2 HIS 114 HD2 HIS 114 15.081 -4.986 -4.986 846 HE1 HIS 114 HE1 HIS 114 12.990 -7.146 -7.146 847 HE2 HIS 114 HE2 HIS 114 15.142 -5.927 -5.927 848 H LEU 115 HN LEU 115 9.958 -4.281 -4.281 849 HA LEU 115 HA LEU 115 10.237 -4.784 -4.784 850 1HB LEU 115 HB1 LEU 115 7.892 -3.702 -3.702 851 2HB LEU 115 HB2 LEU 115 7.822 -4.232 -4.232 852 HG LEU 115 HG LEU 115 8.625 -6.509 -6.509 853 1HD1 LEU 115 HD21 LEU 115 8.063 -5.048 -5.048 854 2HD1 LEU 115 HD23 LEU 115 7.700 -6.771 -6.771 855 3HD1 LEU 115 HD22 LEU 115 9.345 -6.198 -6.198 856 1HD2 LEU 115 HD12 LEU 115 6.175 -5.530 -5.530 857 2HD2 LEU 115 HD11 LEU 115 6.481 -7.198 -7.198 858 3HD2 LEU 115 HD13 LEU 115 5.954 -6.018 -6.018 859 H ALA 116 HN ALA 116 9.391 -1.857 -1.857 860 HA ALA 116 HA ALA 116 9.099 -0.104 -0.104 861 1HB ALA 116 HB2 ALA 116 8.760 0.216 0.216 862 2HB ALA 116 HB1 ALA 116 10.407 0.843 0.843 863 3HB ALA 116 HB3 ALA 116 9.136 1.598 1.598 864 H ILE 117 HN ILE 117 12.017 -1.218 -1.218 865 HA ILE 117 HA ILE 117 13.837 0.575 0.575 866 HB ILE 117 HB ILE 117 14.265 -2.246 -2.246 867 1HG1 ILE 117 HG12 ILE 117 14.954 0.414 0.414 868 2HG1 ILE 117 HG11 ILE 117 13.535 -0.545 -0.545 869 1HG2 ILE 117 HG22 ILE 117 16.153 -0.239 -0.239 870 2HG2 ILE 117 HG21 ILE 117 16.704 -1.309 -1.309 871 3HG2 ILE 117 HG23 ILE 117 16.097 -1.988 -1.988 872 1HD1 ILE 117 HD12 ILE 117 15.189 -2.413 -2.413 873 2HD1 ILE 117 HD11 ILE 117 16.415 -1.145 -1.145 874 3HD1 ILE 117 HD13 ILE 117 15.071 -1.053 -1.053 875 H ARG 118 HN ARG 118 12.673 -2.622 -2.622 876 HA ARG 118 HA ARG 118 14.301 -2.912 -2.912 877 1HB ARG 118 HB2 ARG 118 11.496 -3.985 -3.985 878 2HB ARG 118 HB1 ARG 118 12.779 -4.639 -4.639 879 1HG ARG 118 HG1 ARG 118 14.003 -4.791 -4.791 880 2HG ARG 118 HG2 ARG 118 12.328 -4.904 -4.904 881 1HD ARG 118 HD2 ARG 118 12.846 -7.119 -7.119 882 2HD ARG 118 HD1 ARG 118 12.114 -6.667 -6.667 883 HE ARG 118 HE ARG 118 14.754 -6.205 -6.205 884 1HH1 ARG 118 HH11 ARG 118 12.933 -8.949 -8.949 885 2HH1 ARG 118 HH12 ARG 118 14.056 -10.113 -10.113 886 1HH2 ARG 118 HH21 ARG 118 16.240 -7.728 -7.728 887 2HH2 ARG 118 HH22 ARG 118 15.937 -9.419 -9.419 888 H GLU 119 HN GLU 119 11.715 -0.823 -0.823 889 HA GLU 119 HA GLU 119 11.226 -0.344 -0.344 890 1HB GLU 119 HB1 GLU 119 9.642 0.608 0.608 891 2HB GLU 119 HB2 GLU 119 9.207 0.839 0.839 892 1HG GLU 119 HG1 GLU 119 8.294 -1.181 -1.181 893 2HG GLU 119 HG2 GLU 119 9.667 -1.950 -1.950 894 H GLY 120 HN GLY 120 11.811 1.411 1.411 895 1HA GLY 120 HA1 GLY 120 13.158 3.274 3.274 896 2HA GLY 120 HA2 GLY 120 13.507 3.292 3.292 897 H HIS 121 HN HIS 121 10.252 3.220 3.220 898 HA HIS 121 HA HIS 121 9.291 5.305 5.305 899 1HB HIS 121 HB2 HIS 121 8.368 4.099 4.099 900 2HB HIS 121 HB1 HIS 121 7.490 5.437 5.437 901 HD2 HIS 121 HD2 HIS 121 8.122 1.655 1.655 902 HE1 HIS 121 HE1 HIS 121 5.279 2.984 2.984 903 HE2 HIS 121 HE2 HIS 121 6.553 0.980 0.980 904 H SER 122 HN SER 122 8.025 7.164 7.164 905 HA SER 122 HA SER 122 9.970 9.126 9.126 906 1HB SER 122 HB1 SER 122 8.197 10.472 10.472 907 2HB SER 122 HB2 SER 122 7.566 9.585 9.585 908 HG SER 122 HG SER 122 6.869 7.982 7.982 909 H SER 123 HN SER 123 8.478 9.755 9.755 910 HA SER 123 HA SER 123 10.744 9.049 9.049 911 1HB SER 123 HB2 SER 123 8.305 9.866 9.866 912 2HB SER 123 HB1 SER 123 9.932 10.547 10.547 913 HG SER 123 HG SER 123 8.127 11.831 11.831 914 H VAL 124 HN VAL 124 8.346 7.131 7.131 915 HA VAL 124 HA VAL 124 7.333 5.791 5.791 916 HB VAL 124 HB VAL 124 7.893 3.817 3.817 917 1HG1 VAL 124 HG21 VAL 124 5.972 3.905 3.905 918 2HG1 VAL 124 HG23 VAL 124 5.336 5.276 5.276 919 3HG1 VAL 124 HG22 VAL 124 5.488 3.700 3.700 920 1HG2 VAL 124 HG11 VAL 124 6.866 6.425 6.425 921 2HG2 VAL 124 HG13 VAL 124 8.310 5.546 5.546 922 3HG2 VAL 124 HG12 VAL 124 6.711 4.870 4.870 923 H VAL 125 HN VAL 125 10.019 4.532 4.532 924 HA VAL 125 HA VAL 125 10.878 2.591 2.591 925 HB VAL 125 HB VAL 125 12.875 4.158 4.158 926 1HG1 VAL 125 HG11 VAL 125 13.132 1.934 1.934 927 2HG1 VAL 125 HG13 VAL 125 12.786 1.220 1.220 928 3HG1 VAL 125 HG12 VAL 125 14.157 2.312 2.312 929 1HG2 VAL 125 HG22 VAL 125 10.704 2.373 2.373 930 2HG2 VAL 125 HG21 VAL 125 11.148 3.996 3.996 931 3HG2 VAL 125 HG23 VAL 125 12.212 2.634 2.634 932 H SER 126 HN SER 126 11.505 6.025 6.025 933 HA SER 126 HA SER 126 13.580 5.982 5.982 934 1HB SER 126 HB1 SER 126 13.219 7.803 7.803 935 2HB SER 126 HB2 SER 126 11.811 8.308 8.308 936 HG SER 126 HG SER 126 13.159 9.387 9.387 937 H PHE 127 HN PHE 127 10.217 7.082 7.082 938 HA PHE 127 HA PHE 127 10.242 7.451 7.451 939 1HB PHE 127 HB1 PHE 127 8.611 8.679 8.679 940 2HB PHE 127 HB2 PHE 127 8.024 7.251 7.251 941 HD1 PHE 127 HD2 PHE 127 6.809 5.475 5.475 942 HD2 PHE 127 HD1 PHE 127 7.659 9.352 9.352 943 HE1 PHE 127 HE2 PHE 127 5.075 5.158 5.158 944 HE2 PHE 127 HE1 PHE 127 5.926 9.042 9.042 945 HZ PHE 127 HZ PHE 127 4.631 6.943 6.943 946 H LEU 128 HN LEU 128 8.948 4.829 4.829 947 HA LEU 128 HA LEU 128 7.950 3.313 3.313 948 1HB LEU 128 HB2 LEU 128 7.001 2.283 2.283 949 2HB LEU 128 HB1 LEU 128 8.073 3.097 3.097 950 HG LEU 128 HG LEU 128 9.753 1.199 1.199 951 1HD1 LEU 128 HD12 LEU 128 7.306 0.380 0.380 952 2HD1 LEU 128 HD11 LEU 128 7.901 -0.839 -0.839 953 3HD1 LEU 128 HD13 LEU 128 8.947 -0.247 -0.247 954 1HD2 LEU 128 HD21 LEU 128 7.855 1.578 1.578 955 2HD2 LEU 128 HD23 LEU 128 9.349 0.643 0.643 956 3HD2 LEU 128 HD22 LEU 128 7.838 -0.138 -0.138 957 H ALA 129 HN ALA 129 11.093 4.011 4.011 958 HA ALA 129 HA ALA 129 12.345 1.517 1.517 959 1HB ALA 129 HB2 ALA 129 13.156 3.946 3.946 960 2HB ALA 129 HB1 ALA 129 14.036 3.816 3.816 961 3HB ALA 129 HB3 ALA 129 14.173 2.539 2.539 962 HA PRO 130 HA PRO 130 13.425 3.639 3.639 963 1HB PRO 130 HB1 PRO 130 11.737 5.731 5.731 964 2HB PRO 130 HB2 PRO 130 13.365 5.915 5.915 965 1HG PRO 130 HG1 PRO 130 10.726 6.011 6.011 966 2HG PRO 130 HG2 PRO 130 12.166 7.018 7.018 967 1HD PRO 130 HD2 PRO 130 11.553 5.014 5.014 968 2HD PRO 130 HD1 PRO 130 13.239 5.393 5.393 969 H GLU 131 HN GLU 131 9.992 4.476 4.476 970 HA GLU 131 HA GLU 131 8.942 3.495 3.495 971 1HB GLU 131 HB2 GLU 131 7.468 2.929 2.929 972 2HB GLU 131 HB1 GLU 131 6.850 3.526 3.526 973 1HG GLU 131 HG2 GLU 131 7.106 5.644 5.644 974 2HG GLU 131 HG1 GLU 131 8.743 5.361 5.361 975 H SER 132 HN SER 132 10.186 1.674 1.674 976 HA SER 132 HA SER 132 9.068 -0.831 -0.831 977 1HB SER 132 HB1 SER 132 9.360 -0.201 -0.201 978 2HB SER 132 HB2 SER 132 11.076 -0.530 -0.530 979 HG SER 132 HG SER 132 10.455 -2.642 -2.642 980 H ASP 133 HN ASP 133 10.138 -2.327 -2.327 981 HA ASP 133 HA ASP 133 12.200 -1.841 -1.841 982 1HB ASP 133 HB1 ASP 133 12.372 -4.539 -4.539 983 2HB ASP 133 HB2 ASP 133 10.773 -4.076 -4.076 984 H LEU 134 HN LEU 134 13.838 -0.578 -0.578 985 HA LEU 134 HA LEU 134 15.254 -1.098 -1.098 986 1HB LEU 134 HB2 LEU 134 15.554 0.655 0.655 987 2HB LEU 134 HB1 LEU 134 17.039 0.283 0.283 988 HG LEU 134 HG LEU 134 14.609 1.707 1.707 989 1HD1 LEU 134 HD13 LEU 134 17.212 2.473 2.473 990 2HD1 LEU 134 HD12 LEU 134 16.993 2.969 2.969 991 3HD1 LEU 134 HD11 LEU 134 15.838 3.485 3.485 992 1HD2 LEU 134 HD21 LEU 134 16.835 0.399 0.399 993 2HD2 LEU 134 HD23 LEU 134 15.095 0.233 0.233 994 3HD2 LEU 134 HD22 LEU 134 15.901 1.744 1.744 995 H HIS 135 HN HIS 135 15.418 -3.499 -3.499 996 HA HIS 135 HA HIS 135 18.073 -4.214 -4.214 997 1HB HIS 135 HB1 HIS 135 16.857 -3.723 -3.723 998 2HB HIS 135 HB2 HIS 135 16.756 -5.473 -5.473 999 HD2 HIS 135 HD2 HIS 135 19.592 -6.251 -6.251 1000 HE1 HIS 135 HE1 HIS 135 21.172 -3.848 -3.848 1001 HE2 HIS 135 HE2 HIS 135 21.722 -5.539 -5.539 1002 H HIS 136 HN HIS 136 14.728 -5.308 -5.308 1003 HA HIS 136 HA HIS 136 15.070 -8.023 -8.023 1004 1HB HIS 136 HB1 HIS 136 12.926 -6.504 -6.504 1005 2HB HIS 136 HB2 HIS 136 12.708 -6.719 -6.719 1006 HD2 HIS 136 HD2 HIS 136 10.453 -8.303 -8.303 1007 HE1 HIS 136 HE1 HIS 136 12.713 -11.520 -11.520 1008 HE2 HIS 136 HE2 HIS 136 10.395 -10.734 -10.734 1009 H ARG 137 HN ARG 137 14.759 -9.343 -9.343 1010 HA ARG 137 HA ARG 137 15.141 -8.032 -8.032 1011 1HB ARG 137 HB1 ARG 137 17.295 -9.030 -9.030 1012 2HB ARG 137 HB2 ARG 137 16.792 -10.442 -10.442 1013 1HG ARG 137 HG1 ARG 137 18.096 -7.990 -7.990 1014 2HG ARG 137 HG2 ARG 137 18.080 -9.598 -9.598 1015 1HD ARG 137 HD2 ARG 137 15.711 -9.064 -9.064 1016 2HD ARG 137 HD1 ARG 137 16.063 -7.396 -7.396 1017 HE ARG 137 HE ARG 137 18.123 -8.147 -8.147 1018 1HH1 ARG 137 HH11 ARG 137 14.656 -7.994 -7.994 1019 2HH1 ARG 137 HH12 ARG 137 14.667 -7.709 -7.709 1020 1HH2 ARG 137 HH21 ARG 137 18.150 -7.772 -7.772 1021 2HH2 ARG 137 HH22 ARG 137 16.653 -7.584 -7.584 1022 H ASP 138 HN ASP 138 15.804 -10.721 -10.721 1023 HA ASP 138 HA ASP 138 13.542 -12.396 -12.396 1024 1HB ASP 138 HB2 ASP 138 12.745 -10.420 -10.420 1025 2HB ASP 138 HB1 ASP 138 12.271 -12.064 -12.064 1026 H ALA 139 HN ALA 139 13.480 -13.742 -13.742 1027 HA ALA 139 HA ALA 139 15.486 -15.597 -15.597 1028 1HB ALA 139 HB2 ALA 139 13.355 -15.202 -15.202 1029 2HB ALA 139 HB1 ALA 139 14.767 -15.267 -15.267 1030 3HB ALA 139 HB3 ALA 139 14.427 -16.603 -16.603 1031 H SER 140 HN SER 140 15.647 -12.466 -12.466 1032 HA SER 140 HA SER 140 17.840 -12.707 -12.707 1033 1HB SER 140 HB2 SER 140 16.265 -10.598 -10.598 1034 2HB SER 140 HB1 SER 140 17.971 -10.151 -10.151 1035 HG SER 140 HG SER 140 17.953 -10.530 -10.530 1036 H GLY 141 HN GLY 141 17.689 -11.656 -11.656 1037 1HA GLY 141 HA1 GLY 141 19.231 -12.085 -12.085 1038 2HA GLY 141 HA2 GLY 141 20.286 -12.840 -12.840 1039 H LEU 142 HN LEU 142 19.051 -9.710 -9.710 1040 HA LEU 142 HA LEU 142 21.718 -8.588 -8.588 1041 1HB LEU 142 HB2 LEU 142 19.581 -7.706 -7.706 1042 2HB LEU 142 HB1 LEU 142 21.097 -6.868 -6.868 1043 HG LEU 142 HG LEU 142 21.533 -9.666 -9.666 1044 1HD1 LEU 142 HD13 LEU 142 19.358 -9.250 -9.250 1045 2HD1 LEU 142 HD12 LEU 142 20.208 -8.039 -8.039 1046 3HD1 LEU 142 HD11 LEU 142 20.711 -9.729 -9.729 1047 1HD2 LEU 142 HD22 LEU 142 23.023 -7.506 -7.506 1048 2HD2 LEU 142 HD21 LEU 142 23.244 -8.828 -8.828 1049 3HD2 LEU 142 HD23 LEU 142 22.337 -7.390 -7.390 1050 H THR 143 HN THR 143 19.202 -6.363 -6.363 1051 HA THR 143 HA THR 143 17.918 -5.787 -5.787 1052 HB THR 143 HB THR 143 19.720 -3.904 -3.904 1053 HG1 THR 143 HG1 THR 143 21.733 -4.931 -4.931 1054 1HG2 THR 143 HG23 THR 143 18.613 -6.211 -6.211 1055 2HG2 THR 143 HG22 THR 143 20.352 -6.340 -6.340 1056 3HG2 THR 143 HG21 THR 143 19.475 -4.921 -4.921 1057 HA PRO 144 HA PRO 144 16.382 -2.202 -2.202 1058 1HB PRO 144 HB2 PRO 144 17.114 -0.166 -0.166 1059 2HB PRO 144 HB1 PRO 144 15.572 -1.019 -1.019 1060 1HG PRO 144 HG2 PRO 144 17.899 -1.479 -1.479 1061 2HG PRO 144 HG1 PRO 144 16.174 -1.760 -1.760 1062 1HD PRO 144 HD2 PRO 144 17.879 -3.787 -3.787 1063 2HD PRO 144 HD1 PRO 144 16.203 -3.830 -3.830 1064 H LEU 145 HN LEU 145 19.366 -1.154 -1.154 1065 HA LEU 145 HA LEU 145 20.142 0.613 0.613 1066 1HB LEU 145 HB1 LEU 145 21.148 1.173 1.173 1067 2HB LEU 145 HB2 LEU 145 21.412 -0.496 -0.496 1068 HG LEU 145 HG LEU 145 23.361 -0.673 -0.673 1069 1HD1 LEU 145 HD22 LEU 145 22.100 1.436 1.436 1070 2HD1 LEU 145 HD21 LEU 145 23.807 1.759 1.759 1071 3HD1 LEU 145 HD23 LEU 145 23.320 0.258 0.258 1072 1HD2 LEU 145 HD12 LEU 145 23.175 1.946 1.946 1073 2HD2 LEU 145 HD11 LEU 145 23.933 0.443 0.443 1074 3HD2 LEU 145 HD13 LEU 145 24.675 1.407 1.407 1075 H GLU 146 HN GLU 146 21.122 -2.697 -2.697 1076 HA GLU 146 HA GLU 146 23.119 -3.035 -3.035 1077 1HB GLU 146 HB1 GLU 146 21.196 -4.961 -4.961 1078 2HB GLU 146 HB2 GLU 146 22.371 -5.505 -5.505 1079 1HG GLU 146 HG2 GLU 146 23.618 -5.860 -5.860 1080 2HG GLU 146 HG1 GLU 146 24.004 -4.153 -4.153 1081 H LEU 147 HN LEU 147 19.641 -3.765 -3.765 1082 HA LEU 147 HA LEU 147 19.614 -4.689 -4.689 1083 1HB LEU 147 HB2 LEU 147 17.708 -4.059 -4.059 1084 2HB LEU 147 HB1 LEU 147 17.347 -2.956 -2.956 1085 HG LEU 147 HG LEU 147 17.497 -5.965 -5.965 1086 1HD1 LEU 147 HD12 LEU 147 15.368 -4.128 -4.128 1087 2HD1 LEU 147 HD11 LEU 147 14.985 -5.075 -5.075 1088 3HD1 LEU 147 HD13 LEU 147 15.405 -5.890 -5.890 1089 1HD2 LEU 147 HD22 LEU 147 17.379 -3.804 -3.804 1090 2HD2 LEU 147 HD21 LEU 147 18.038 -5.436 -5.436 1091 3HD2 LEU 147 HD23 LEU 147 16.298 -5.174 -5.174 1092 H ALA 148 HN ALA 148 19.451 -1.369 -1.369 1093 HA ALA 148 HA ALA 148 18.991 -0.021 -0.021 1094 1HB ALA 148 HB2 ALA 148 19.778 0.659 0.659 1095 2HB ALA 148 HB1 ALA 148 20.895 1.457 1.457 1096 3HB ALA 148 HB3 ALA 148 19.159 1.723 1.723 1097 H ARG 149 HN ARG 149 21.962 -1.392 -1.392 1098 HA ARG 149 HA ARG 149 23.763 -0.256 -0.256 1099 1HB ARG 149 HB2 ARG 149 23.932 -2.023 -2.023 1100 2HB ARG 149 HB1 ARG 149 24.450 -2.981 -2.981 1101 1HG ARG 149 HG1 ARG 149 25.678 -0.384 -0.384 1102 2HG ARG 149 HG2 ARG 149 25.969 -1.168 -1.168 1103 1HD ARG 149 HD1 ARG 149 27.714 -1.684 -1.684 1104 2HD ARG 149 HD2 ARG 149 26.856 -3.123 -3.123 1105 HE ARG 149 HE ARG 149 25.500 -2.486 -2.486 1106 1HH1 ARG 149 HH21 ARG 149 28.911 -2.783 -2.783 1107 2HH1 ARG 149 HH22 ARG 149 29.298 -3.285 -3.285 1108 1HH2 ARG 149 HH11 ARG 149 25.998 -3.148 -3.148 1109 2HH2 ARG 149 HH12 ARG 149 27.642 -3.492 -3.492 1110 H GLN 150 HN GLN 150 21.655 -3.046 -3.046 1111 HA GLN 150 HA GLN 150 22.663 -4.196 -4.196 1112 1HB GLN 150 HB2 GLN 150 20.754 -4.884 -4.884 1113 2HB GLN 150 HB1 GLN 150 19.782 -4.513 -4.513 1114 1HG GLN 150 HG2 GLN 150 20.293 -6.445 -6.445 1115 2HG GLN 150 HG1 GLN 150 22.020 -6.135 -6.135 1116 1HE2 GLN 150 HE22 GLN 150 22.386 -8.610 -8.610 1117 2HE2 GLN 150 HE21 GLN 150 23.026 -7.671 -7.671 1118 H ARG 151 HN ARG 151 19.479 -2.666 -2.666 1119 HA ARG 151 HA ARG 151 19.413 -1.869 -1.869 1120 1HB ARG 151 HB2 ARG 151 17.580 -0.721 -0.721 1121 2HB ARG 151 HB1 ARG 151 17.226 -1.187 -1.187 1122 1HG ARG 151 HG1 ARG 151 17.651 -3.026 -3.026 1123 2HG ARG 151 HG2 ARG 151 16.131 -2.694 -2.694 1124 1HD ARG 151 HD1 ARG 151 18.551 -3.977 -3.977 1125 2HD ARG 151 HD2 ARG 151 17.138 -4.847 -4.847 1126 HE ARG 151 HE ARG 151 16.458 -2.830 -2.830 1127 1HH1 ARG 151 HH21 ARG 151 17.616 -6.094 -6.094 1128 2HH1 ARG 151 HH22 ARG 151 17.037 -6.613 -6.613 1129 1HH2 ARG 151 HH11 ARG 151 15.691 -3.505 -3.505 1130 2HH2 ARG 151 HH12 ARG 151 15.944 -5.142 -5.142 1131 H GLY 152 HN GLY 152 21.538 -0.724 -0.724 1132 1HA GLY 152 HA1 GLY 152 21.828 1.604 1.604 1133 2HA GLY 152 HA2 GLY 152 22.782 1.187 1.187 1134 H ALA 153 HN ALA 153 19.363 2.059 2.059 1135 HA ALA 153 HA ALA 153 19.109 3.489 3.489 1136 1HB ALA 153 HB3 ALA 153 17.403 2.753 2.753 1137 2HB ALA 153 HB2 ALA 153 17.476 4.503 4.503 1138 3HB ALA 153 HB1 ALA 153 16.990 3.821 3.821 1139 H GLN 154 HN GLN 154 20.751 4.274 4.274 1140 HA GLN 154 HA GLN 154 22.313 6.025 6.025 1141 1HB GLN 154 HB1 GLN 154 21.682 6.794 6.794 1142 2HB GLN 154 HB2 GLN 154 20.381 7.723 7.723 1143 1HG GLN 154 HG2 GLN 154 22.504 8.976 8.976 1144 2HG GLN 154 HG1 GLN 154 21.875 9.149 9.149 1145 1HE2 GLN 154 HE22 GLN 154 24.990 6.535 6.535 1146 2HE2 GLN 154 HE21 GLN 154 23.603 6.377 6.377 1147 H ASN 155 HN ASN 155 18.931 7.181 7.181 1148 HA ASN 155 HA ASN 155 19.326 8.769 8.769 1149 1HB ASN 155 HB1 ASN 155 16.621 7.878 7.878 1150 2HB ASN 155 HB2 ASN 155 17.091 9.412 9.412 1151 1HD2 ASN 155 HD22 ASN 155 16.852 9.112 9.112 1152 2HD2 ASN 155 HD21 ASN 155 16.143 8.027 8.027 1153 H LEU 156 HN LEU 156 17.448 5.791 5.791 1154 HA LEU 156 HA LEU 156 16.602 5.352 5.352 1155 1HB LEU 156 HB1 LEU 156 16.636 2.883 2.883 1156 2HB LEU 156 HB2 LEU 156 15.642 3.981 3.981 1157 HG LEU 156 HG LEU 156 16.968 3.811 3.811 1158 1HD1 LEU 156 HD22 LEU 156 19.215 3.079 3.079 1159 2HD1 LEU 156 HD21 LEU 156 19.330 2.930 2.930 1160 3HD1 LEU 156 HD23 LEU 156 19.060 4.511 4.511 1161 1HD2 LEU 156 HD11 LEU 156 15.993 1.581 1.581 1162 2HD2 LEU 156 HD13 LEU 156 17.267 1.534 1.534 1163 3HD2 LEU 156 HD12 LEU 156 17.641 1.155 1.155 1164 H MET 157 HN MET 157 19.807 5.184 5.184 1165 HA MET 157 HA MET 157 20.786 3.256 3.256 1166 1HB MET 157 HB2 MET 157 22.005 5.196 5.196 1167 2HB MET 157 HB1 MET 157 23.018 4.428 4.428 1168 1HG MET 157 HG1 MET 157 22.423 2.242 2.242 1169 2HG MET 157 HG2 MET 157 21.294 2.957 2.957 1170 1HE MET 157 HE1 MET 157 24.344 1.622 1.622 1171 2HE MET 157 HE3 MET 157 24.880 1.259 1.259 1172 3HE MET 157 HE2 MET 157 25.668 2.538 2.538 1173 H ASP 158 HN ASP 158 21.325 6.773 6.773 1174 HA ASP 158 HA ASP 158 22.406 6.899 6.899 1175 1HB ASP 158 HB2 ASP 158 21.399 9.353 9.353 1176 2HB ASP 158 HB1 ASP 158 22.733 8.475 8.475 1177 H ILE 159 HN ILE 159 19.212 7.352 7.352 1178 HA ILE 159 HA ILE 159 18.001 8.864 8.864 1179 HB ILE 159 HB ILE 159 16.893 6.554 6.554 1180 1HG1 ILE 159 HG12 ILE 159 16.349 9.483 9.483 1181 2HG1 ILE 159 HG11 ILE 159 17.781 8.729 8.729 1182 1HG2 ILE 159 HG23 ILE 159 15.759 7.749 7.749 1183 2HG2 ILE 159 HG22 ILE 159 14.944 8.476 8.476 1184 3HG2 ILE 159 HG21 ILE 159 14.957 6.723 6.723 1185 1HD1 ILE 159 HD11 ILE 159 15.772 7.022 7.022 1186 2HD1 ILE 159 HD13 ILE 159 15.008 8.608 8.608 1187 3HD1 ILE 159 HD12 ILE 159 16.488 8.284 8.284 1188 H LEU 160 HN LEU 160 18.181 5.296 5.296 1189 HA LEU 160 HA LEU 160 17.095 5.016 5.016 1190 1HB LEU 160 HB2 LEU 160 18.671 2.862 2.862 1191 2HB LEU 160 HB1 LEU 160 17.247 2.731 2.731 1192 HG LEU 160 HG LEU 160 17.457 3.326 3.326 1193 1HD1 LEU 160 HD12 LEU 160 16.511 1.226 1.226 1194 2HD1 LEU 160 HD11 LEU 160 15.083 1.986 1.986 1195 3HD1 LEU 160 HD13 LEU 160 16.374 1.397 1.397 1196 1HD2 LEU 160 HD22 LEU 160 15.560 4.615 4.615 1197 2HD2 LEU 160 HD21 LEU 160 16.228 5.195 5.195 1198 3HD2 LEU 160 HD23 LEU 160 14.921 4.009 4.009 1199 H GLN 161 HN GLN 161 20.317 5.232 5.232 1200 HA GLN 161 HA GLN 161 21.751 4.209 4.209 1201 1HB GLN 161 HB2 GLN 161 22.331 5.675 5.675 1202 2HB GLN 161 HB1 GLN 161 23.373 6.161 6.161 1203 1HG GLN 161 HG1 GLN 161 22.953 3.282 3.282 1204 2HG GLN 161 HG2 GLN 161 24.175 4.274 4.274 1205 1HE2 GLN 161 HE22 GLN 161 26.395 3.229 3.229 1206 2HE2 GLN 161 HE21 GLN 161 25.951 3.248 3.248 1207 H GLY 162 HN GLY 162 20.661 7.492 7.492 1208 1HA GLY 162 HA2 GLY 162 21.909 8.684 8.684 1209 2HA GLY 162 HA1 GLY 162 20.691 9.428 9.428 1210 H HIS 163 HN HIS 163 18.699 7.389 7.389 1211 HA HIS 163 HA HIS 163 17.506 8.366 8.366 1212 1HB HIS 163 HB2 HIS 163 16.756 6.399 6.399 1213 2HB HIS 163 HB1 HIS 163 15.892 6.334 6.334 1214 HD2 HIS 163 HD2 HIS 163 14.974 7.588 7.588 1215 HE1 HIS 163 HE1 HIS 163 14.085 10.867 10.867 1216 HE2 HIS 163 HE2 HIS 163 13.849 9.919 9.919 1217 H MET 164 HN MET 164 19.314 5.494 5.494 1218 HA MET 164 HA MET 164 18.634 3.886 3.886 1219 1HB MET 164 HB1 MET 164 20.030 3.380 3.380 1220 2HB MET 164 HB2 MET 164 21.394 3.825 3.825 1221 1HG MET 164 HG2 MET 164 20.077 2.095 2.095 1222 2HG MET 164 HG1 MET 164 19.715 1.425 1.425 1223 1HE MET 164 HE2 MET 164 21.098 0.160 0.160 1224 2HE MET 164 HE1 MET 164 22.652 -0.530 -0.530 1225 3HE MET 164 HE3 MET 164 21.207 -0.895 -0.895 1226 H MET 165 HN MET 165 18.573 5.202 5.202 1227 HA MET 165 HA MET 165 20.773 6.753 6.753 1228 1HB MET 165 HB1 MET 165 19.559 6.800 6.800 1229 2HB MET 165 HB2 MET 165 18.555 7.254 7.254 1230 1HG MET 165 HG2 MET 165 18.087 4.587 4.587 1231 2HG MET 165 HG1 MET 165 18.335 4.980 4.980 1232 1HE MET 165 HE1 MET 165 16.446 4.924 4.924 1233 2HE MET 165 HE3 MET 165 14.827 5.509 5.509 1234 3HE MET 165 HE2 MET 165 15.447 4.055 4.055 1235 H ILE 166 HN ILE 166 21.819 6.329 6.329 1236 HA ILE 166 HA ILE 166 22.382 3.478 3.478 1237 HB ILE 166 HB ILE 166 24.803 4.863 4.863 1238 1HG1 ILE 166 HG12 ILE 166 23.849 6.567 6.567 1239 2HG1 ILE 166 HG11 ILE 166 25.366 5.839 5.839 1240 1HG2 ILE 166 HG23 ILE 166 23.853 2.517 2.517 1241 2HG2 ILE 166 HG22 ILE 166 24.940 3.324 3.324 1242 3HG2 ILE 166 HG21 ILE 166 25.502 2.908 2.908 1243 1HD1 ILE 166 HD11 ILE 166 23.434 4.207 4.207 1244 2HD1 ILE 166 HD13 ILE 166 22.777 5.835 5.835 1245 3HD1 ILE 166 HD12 ILE 166 24.367 5.455 5.455 1246 HA PRO 167 HA PRO 167 21.239 5.004 5.004 1247 1HB PRO 167 HB1 PRO 167 22.071 2.197 2.197 1248 2HB PRO 167 HB2 PRO 167 20.624 3.069 3.069 1249 1HG PRO 167 HG2 PRO 167 20.492 1.260 1.260 1250 2HG PRO 167 HG1 PRO 167 19.551 2.761 2.761 1251 1HD PRO 167 HD1 PRO 167 22.038 1.995 1.995 1252 2HD PRO 167 HD2 PRO 167 20.663 2.973 2.973 1253 H MET 168 HN MET 168 22.810 6.348 6.348 1254 HA MET 168 HA MET 168 25.200 5.108 5.108 1255 1HB MET 168 HB2 MET 168 25.122 7.250 7.250 1256 2HB MET 168 HB1 MET 168 26.376 7.320 7.320 1257 1HG MET 168 HG1 MET 168 27.024 5.001 5.001 1258 2HG MET 168 HG2 MET 168 25.868 5.089 5.089 1259 1HE MET 168 HE3 MET 168 28.955 4.656 4.656 1260 2HE MET 168 HE2 MET 168 29.229 4.709 4.709 1261 3HE MET 168 HE1 MET 168 30.055 5.853 5.853 Start of MODEL 14 1 1H GLY 1 HT3 GLY 1 -34.775 -12.860 -12.860 2 2H GLY 1 HT2 GLY 1 -35.153 -14.154 -14.154 3 3H GLY 1 HT1 GLY 1 -33.546 -13.868 -13.868 4 1HA GLY 1 HA1 GLY 1 -34.275 -15.693 -15.693 5 2HA GLY 1 HA2 GLY 1 -35.755 -14.847 -14.847 6 H SER 2 HN SER 2 -32.271 -14.080 -14.080 7 HA SER 2 HA SER 2 -32.609 -13.380 -13.380 8 1HB SER 2 HB1 SER 2 -31.156 -11.485 -11.485 9 2HB SER 2 HB2 SER 2 -32.384 -11.369 -11.369 10 HG SER 2 HG SER 2 -30.459 -12.748 -12.748 11 H MET 3 HN MET 3 -31.638 -15.020 -15.020 12 HA MET 3 HA MET 3 -28.813 -15.501 -15.501 13 1HB MET 3 HB2 MET 3 -29.294 -18.000 -18.000 14 2HB MET 3 HB1 MET 3 -29.700 -17.302 -17.302 15 1HG MET 3 HG2 MET 3 -31.783 -17.996 -17.996 16 2HG MET 3 HG1 MET 3 -31.960 -17.030 -17.030 17 1HE MET 3 HE1 MET 3 -31.069 -20.224 -20.224 18 2HE MET 3 HE3 MET 3 -32.672 -20.659 -20.659 19 3HE MET 3 HE2 MET 3 -31.246 -21.484 -21.484 20 H LEU 4 HN LEU 4 -29.370 -13.994 -13.994 21 HA LEU 4 HA LEU 4 -29.830 -15.567 -15.567 22 1HB LEU 4 HB1 LEU 4 -29.260 -12.629 -12.629 23 2HB LEU 4 HB2 LEU 4 -29.581 -13.379 -13.379 24 HG LEU 4 HG LEU 4 -31.576 -13.602 -13.602 25 1HD1 LEU 4 HD23 LEU 4 -31.237 -11.288 -11.288 26 2HD1 LEU 4 HD22 LEU 4 -32.694 -11.597 -11.597 27 3HD1 LEU 4 HD21 LEU 4 -31.172 -11.244 -11.244 28 1HD2 LEU 4 HD12 LEU 4 -31.703 -14.961 -14.961 29 2HD2 LEU 4 HD11 LEU 4 -33.126 -13.994 -13.994 30 3HD2 LEU 4 HD13 LEU 4 -31.993 -13.441 -13.441 31 H LEU 5 HN LEU 5 -27.232 -13.505 -13.505 32 HA LEU 5 HA LEU 5 -24.974 -13.550 -13.550 33 1HB LEU 5 HB2 LEU 5 -25.794 -16.250 -16.250 34 2HB LEU 5 HB1 LEU 5 -24.639 -16.025 -16.025 35 HG LEU 5 HG LEU 5 -22.948 -15.282 -15.282 36 1HD1 LEU 5 HD22 LEU 5 -25.217 -15.278 -15.278 37 2HD1 LEU 5 HD21 LEU 5 -23.556 -15.483 -15.483 38 3HD1 LEU 5 HD23 LEU 5 -24.017 -14.025 -14.025 39 1HD2 LEU 5 HD13 LEU 5 -23.933 -17.835 -17.835 40 2HD2 LEU 5 HD12 LEU 5 -22.410 -17.362 -17.362 41 3HD2 LEU 5 HD11 LEU 5 -23.861 -17.544 -17.544 42 H GLU 6 HN GLU 6 -23.264 -13.594 -13.594 43 HA GLU 6 HA GLU 6 -22.486 -12.950 -12.950 44 1HB GLU 6 HB2 GLU 6 -23.629 -15.097 -15.097 45 2HB GLU 6 HB1 GLU 6 -25.022 -14.131 -14.131 46 1HG GLU 6 HG1 GLU 6 -22.637 -14.699 -14.699 47 2HG GLU 6 HG2 GLU 6 -24.119 -13.905 -13.905 48 H GLU 7 HN GLU 7 -22.659 -11.265 -11.265 49 HA GLU 7 HA GLU 7 -24.900 -9.823 -9.823 50 1HB GLU 7 HB2 GLU 7 -24.000 -9.262 -9.262 51 2HB GLU 7 HB1 GLU 7 -24.067 -7.821 -7.821 52 1HG GLU 7 HG2 GLU 7 -26.437 -9.178 -9.178 53 2HG GLU 7 HG1 GLU 7 -26.204 -9.326 -9.326 54 H VAL 8 HN VAL 8 -23.924 -9.373 -9.373 55 HA VAL 8 HA VAL 8 -21.451 -7.768 -7.768 56 HB VAL 8 HB VAL 8 -20.790 -8.674 -8.674 57 1HG1 VAL 8 HG21 VAL 8 -20.331 -9.953 -9.953 58 2HG1 VAL 8 HG23 VAL 8 -21.663 -11.016 -11.016 59 3HG1 VAL 8 HG22 VAL 8 -20.245 -10.890 -10.890 60 1HG2 VAL 8 HG12 VAL 8 -23.565 -9.410 -9.410 61 2HG2 VAL 8 HG11 VAL 8 -22.345 -9.340 -9.340 62 3HG2 VAL 8 HG13 VAL 8 -22.535 -10.807 -10.807 63 H CYS 9 HN CYS 9 -24.716 -7.803 -7.803 64 HA CYS 9 HA CYS 9 -25.143 -6.464 -6.464 65 1HB CYS 9 HB2 CYS 9 -27.054 -5.394 -5.394 66 2HB CYS 9 HB1 CYS 9 -26.872 -6.983 -6.983 67 HG CYS 9 HG CYS 9 -27.357 -5.165 -5.165 68 H VAL 10 HN VAL 10 -23.745 -5.075 -5.075 69 HA VAL 10 HA VAL 10 -23.270 -2.557 -2.557 70 HB VAL 10 HB VAL 10 -24.481 -2.334 -2.334 71 1HG1 VAL 10 HG22 VAL 10 -22.509 -4.186 -4.186 72 2HG1 VAL 10 HG21 VAL 10 -22.382 -2.716 -2.716 73 3HG1 VAL 10 HG23 VAL 10 -23.920 -3.574 -3.574 74 1HG2 VAL 10 HG11 VAL 10 -22.900 -0.582 -0.582 75 2HG2 VAL 10 HG13 VAL 10 -23.229 -0.508 -0.508 76 3HG2 VAL 10 HG12 VAL 10 -21.710 -1.191 -1.191 77 H GLY 11 HN GLY 11 -21.766 -5.358 -5.358 78 1HA GLY 11 HA1 GLY 11 -19.256 -4.614 -4.614 79 2HA GLY 11 HA2 GLY 11 -19.579 -6.063 -6.063 80 H ASP 12 HN ASP 12 -20.134 -5.338 -5.338 81 HA ASP 12 HA ASP 12 -17.666 -4.151 -4.151 82 1HB ASP 12 HB2 ASP 12 -19.961 -5.128 -5.128 83 2HB ASP 12 HB1 ASP 12 -18.764 -6.216 -6.216 84 H ARG 13 HN ARG 13 -18.813 -2.157 -2.157 85 HA ARG 13 HA ARG 13 -19.920 -0.471 -0.471 86 1HB ARG 13 HB1 ARG 13 -21.666 -1.094 -1.094 87 2HB ARG 13 HB2 ARG 13 -20.696 -0.351 -0.351 88 1HG ARG 13 HG1 ARG 13 -21.786 1.535 1.535 89 2HG ARG 13 HG2 ARG 13 -20.933 1.618 1.618 90 1HD ARG 13 HD2 ARG 13 -23.268 1.832 1.832 91 2HD ARG 13 HD1 ARG 13 -22.755 0.239 0.239 92 HE ARG 13 HE ARG 13 -24.219 -0.674 -0.674 93 1HH1 ARG 13 HH21 ARG 13 -23.452 2.556 2.556 94 2HH1 ARG 13 HH22 ARG 13 -24.578 2.535 2.535 95 1HH2 ARG 13 HH11 ARG 13 -25.709 -0.712 -0.712 96 2HH2 ARG 13 HH12 ARG 13 -25.861 0.675 0.675 97 H LEU 14 HN LEU 14 -18.726 -0.062 -0.062 98 HA LEU 14 HA LEU 14 -17.543 2.454 2.454 99 1HB LEU 14 HB1 LEU 14 -18.180 1.955 1.955 100 2HB LEU 14 HB2 LEU 14 -17.232 0.481 0.481 101 HG LEU 14 HG LEU 14 -15.170 1.939 1.939 102 1HD1 LEU 14 HD22 LEU 14 -17.286 4.014 4.014 103 2HD1 LEU 14 HD21 LEU 14 -15.753 4.298 4.298 104 3HD1 LEU 14 HD23 LEU 14 -15.780 4.018 4.018 105 1HD2 LEU 14 HD12 LEU 14 -16.980 1.892 1.892 106 2HD2 LEU 14 HD11 LEU 14 -15.467 1.028 1.028 107 3HD2 LEU 14 HD13 LEU 14 -15.444 2.757 2.757 108 H SER 15 HN SER 15 -16.341 -0.838 -0.838 109 HA SER 15 HA SER 15 -13.591 -0.284 -0.284 110 1HB SER 15 HB1 SER 15 -13.761 -2.524 -2.524 111 2HB SER 15 HB2 SER 15 -15.324 -2.582 -2.582 112 HG SER 15 HG SER 15 -14.247 -2.540 -2.540 113 H GLY 16 HN GLY 16 -16.020 -0.440 -0.440 114 1HA GLY 16 HA1 GLY 16 -14.200 -0.224 -0.224 115 2HA GLY 16 HA2 GLY 16 -15.924 0.112 0.112 116 H ALA 17 HN ALA 17 -15.776 2.151 2.151 117 HA ALA 17 HA ALA 17 -15.202 4.388 4.388 118 1HB ALA 17 HB3 ALA 17 -17.028 4.375 4.375 119 2HB ALA 17 HB2 ALA 17 -15.823 4.363 4.363 120 3HB ALA 17 HB1 ALA 17 -15.933 5.745 5.745 121 H ALA 18 HN ALA 18 -13.855 3.416 3.416 122 HA ALA 18 HA ALA 18 -11.776 5.246 5.246 123 1HB ALA 18 HB3 ALA 18 -12.509 2.818 2.818 124 2HB ALA 18 HB2 ALA 18 -10.761 2.979 2.979 125 3HB ALA 18 HB1 ALA 18 -11.700 4.263 4.263 126 H ALA 19 HN ALA 19 -11.733 1.932 1.932 127 HA ALA 19 HA ALA 19 -9.030 1.949 1.949 128 1HB ALA 19 HB2 ALA 19 -11.403 0.268 0.268 129 2HB ALA 19 HB1 ALA 19 -9.987 0.128 0.128 130 3HB ALA 19 HB3 ALA 19 -9.842 -0.183 -0.183 131 H ARG 20 HN ARG 20 -11.921 3.196 3.196 132 HA ARG 20 HA ARG 20 -10.867 3.434 3.434 133 1HB ARG 20 HB2 ARG 20 -13.307 4.305 4.305 134 2HB ARG 20 HB1 ARG 20 -12.839 5.283 5.283 135 1HG ARG 20 HG2 ARG 20 -13.026 3.456 3.456 136 2HG ARG 20 HG1 ARG 20 -13.114 2.296 2.296 137 1HD ARG 20 HD2 ARG 20 -15.228 3.757 3.757 138 2HD ARG 20 HD1 ARG 20 -15.201 4.111 4.111 139 HE ARG 20 HE ARG 20 -16.078 1.715 1.715 140 1HH1 ARG 20 HH11 ARG 20 -14.289 2.883 2.883 141 2HH1 ARG 20 HH12 ARG 20 -14.689 1.528 1.528 142 1HH2 ARG 20 HH21 ARG 20 -16.611 -0.076 -0.076 143 2HH2 ARG 20 HH22 ARG 20 -16.009 -0.156 -0.156 144 H GLY 21 HN GLY 21 -11.029 5.550 5.550 145 1HA GLY 21 HA2 GLY 21 -9.365 7.195 7.195 146 2HA GLY 21 HA1 GLY 21 -9.052 7.290 7.290 147 H ASP 22 HN ASP 22 -11.542 8.003 8.003 148 HA ASP 22 HA ASP 22 -12.115 10.488 10.488 149 1HB ASP 22 HB1 ASP 22 -13.808 8.338 8.338 150 2HB ASP 22 HB2 ASP 22 -14.509 9.219 9.219 151 H VAL 23 HN VAL 23 -10.906 11.462 11.462 152 HA VAL 23 HA VAL 23 -11.306 11.172 11.172 153 HB VAL 23 HB VAL 23 -9.478 12.509 12.509 154 1HG1 VAL 23 HG13 VAL 23 -10.627 13.533 13.533 155 2HG1 VAL 23 HG12 VAL 23 -11.604 14.500 14.500 156 3HG1 VAL 23 HG11 VAL 23 -9.863 14.765 14.765 157 1HG2 VAL 23 HG21 VAL 23 -10.415 12.905 12.905 158 2HG2 VAL 23 HG23 VAL 23 -9.457 14.221 14.221 159 3HG2 VAL 23 HG22 VAL 23 -11.217 14.327 14.327 160 H GLN 24 HN GLN 24 -13.350 12.626 12.626 161 HA GLN 24 HA GLN 24 -14.852 14.270 14.270 162 1HB GLN 24 HB2 GLN 24 -14.999 13.489 13.489 163 2HB GLN 24 HB1 GLN 24 -16.540 13.874 13.874 164 1HG GLN 24 HG2 GLN 24 -15.936 16.070 16.070 165 2HG GLN 24 HG1 GLN 24 -14.213 15.727 15.727 166 1HE2 GLN 24 HE22 GLN 24 -16.195 17.111 17.111 167 2HE2 GLN 24 HE21 GLN 24 -16.758 17.144 17.144 168 H GLU 25 HN GLU 25 -15.451 11.125 11.125 169 HA GLU 25 HA GLU 25 -17.920 10.697 10.697 170 1HB GLU 25 HB2 GLU 25 -16.133 8.816 8.816 171 2HB GLU 25 HB1 GLU 25 -17.713 8.376 8.376 172 1HG GLU 25 HG1 GLU 25 -17.149 10.523 10.523 173 2HG GLU 25 HG2 GLU 25 -17.838 8.932 8.932 174 H VAL 26 HN VAL 26 -14.589 9.983 9.983 175 HA VAL 26 HA VAL 26 -14.817 7.862 7.862 176 HB VAL 26 HB VAL 26 -12.716 9.243 9.243 177 1HG1 VAL 26 HG12 VAL 26 -13.205 10.368 10.368 178 2HG1 VAL 26 HG11 VAL 26 -11.705 10.526 10.526 179 3HG1 VAL 26 HG13 VAL 26 -13.187 11.270 11.270 180 1HG2 VAL 26 HG21 VAL 26 -13.182 7.366 7.366 181 2HG2 VAL 26 HG23 VAL 26 -11.990 7.325 7.325 182 3HG2 VAL 26 HG22 VAL 26 -11.682 8.280 8.280 183 H ARG 27 HN ARG 27 -15.007 11.327 11.327 184 HA ARG 27 HA ARG 27 -15.634 10.833 10.833 185 1HB ARG 27 HB1 ARG 27 -16.423 13.436 13.436 186 2HB ARG 27 HB2 ARG 27 -15.424 13.061 13.061 187 1HG ARG 27 HG1 ARG 27 -13.578 12.482 12.482 188 2HG ARG 27 HG2 ARG 27 -14.587 13.155 13.155 189 1HD ARG 27 HD2 ARG 27 -14.132 14.805 14.805 190 2HD ARG 27 HD1 ARG 27 -12.794 14.618 14.618 191 HE ARG 27 HE ARG 27 -15.179 15.331 15.331 192 1HH1 ARG 27 HH21 ARG 27 -12.651 16.631 16.631 193 2HH1 ARG 27 HH22 ARG 27 -12.803 18.238 18.238 194 1HH2 ARG 27 HH11 ARG 27 -15.389 17.444 17.444 195 2HH2 ARG 27 HH12 ARG 27 -14.360 18.703 18.703 196 H ARG 28 HN ARG 28 -17.544 11.715 11.715 197 HA ARG 28 HA ARG 28 -20.002 12.050 12.050 198 1HB ARG 28 HB2 ARG 28 -19.498 11.191 11.191 199 2HB ARG 28 HB1 ARG 28 -21.020 11.802 11.802 200 1HG ARG 28 HG2 ARG 28 -18.687 13.541 13.541 201 2HG ARG 28 HG1 ARG 28 -19.188 13.319 13.319 202 1HD ARG 28 HD1 ARG 28 -21.497 13.937 13.937 203 2HD ARG 28 HD2 ARG 28 -20.898 14.284 14.284 204 HE ARG 28 HE ARG 28 -19.349 15.765 15.765 205 1HH1 ARG 28 HH11 ARG 28 -22.701 15.547 15.547 206 2HH1 ARG 28 HH12 ARG 28 -23.033 17.215 17.215 207 1HH2 ARG 28 HH21 ARG 28 -19.773 17.965 17.965 208 2HH2 ARG 28 HH22 ARG 28 -21.367 18.590 18.590 209 H LEU 29 HN LEU 29 -18.386 9.210 9.210 210 HA LEU 29 HA LEU 29 -20.474 7.401 7.401 211 1HB LEU 29 HB2 LEU 29 -17.555 7.085 7.085 212 2HB LEU 29 HB1 LEU 29 -18.636 5.707 5.707 213 HG LEU 29 HG LEU 29 -17.282 6.839 6.839 214 1HD1 LEU 29 HD21 LEU 29 -18.674 4.466 4.466 215 2HD1 LEU 29 HD23 LEU 29 -19.161 4.936 4.936 216 3HD1 LEU 29 HD22 LEU 29 -17.455 4.692 4.692 217 1HD2 LEU 29 HD11 LEU 29 -19.278 8.361 8.361 218 2HD2 LEU 29 HD13 LEU 29 -18.988 7.373 7.373 219 3HD2 LEU 29 HD12 LEU 29 -20.260 6.926 6.926 220 H LEU 30 HN LEU 30 -18.119 7.462 7.462 221 HA LEU 30 HA LEU 30 -19.872 6.105 6.105 222 1HB LEU 30 HB1 LEU 30 -17.585 7.717 7.717 223 2HB LEU 30 HB2 LEU 30 -18.141 6.131 6.131 224 HG LEU 30 HG LEU 30 -16.219 5.534 5.534 225 1HD1 LEU 30 HD21 LEU 30 -18.439 4.853 4.853 226 2HD1 LEU 30 HD23 LEU 30 -17.556 5.688 5.688 227 3HD1 LEU 30 HD22 LEU 30 -16.823 4.312 4.312 228 1HD2 LEU 30 HD12 LEU 30 -16.557 8.098 8.098 229 2HD2 LEU 30 HD11 LEU 30 -15.104 7.335 7.335 230 3HD2 LEU 30 HD13 LEU 30 -15.733 6.844 6.844 231 H HIS 31 HN HIS 31 -18.782 9.500 9.500 232 HA HIS 31 HA HIS 31 -20.306 10.306 10.306 233 1HB HIS 31 HB1 HIS 31 -19.178 12.221 12.221 234 2HB HIS 31 HB2 HIS 31 -18.361 11.464 11.464 235 HD2 HIS 31 HD2 HIS 31 -18.324 13.187 13.187 236 HE1 HIS 31 HE1 HIS 31 -22.163 14.865 14.865 237 HE2 HIS 31 HE2 HIS 31 -20.019 15.006 15.006 238 H ARG 32 HN ARG 32 -21.158 9.888 9.888 239 HA ARG 32 HA ARG 32 -23.802 11.041 11.041 240 1HB ARG 32 HB1 ARG 32 -22.001 11.676 11.676 241 2HB ARG 32 HB2 ARG 32 -23.421 10.916 10.916 242 1HG ARG 32 HG1 ARG 32 -23.738 13.097 13.097 243 2HG ARG 32 HG2 ARG 32 -23.368 13.477 13.477 244 1HD ARG 32 HD2 ARG 32 -25.635 13.487 13.487 245 2HD ARG 32 HD1 ARG 32 -25.362 11.767 11.767 246 HE ARG 32 HE ARG 32 -25.706 12.441 12.441 247 1HH1 ARG 32 HH11 ARG 32 -27.349 11.682 11.682 248 2HH1 ARG 32 HH12 ARG 32 -28.781 11.105 11.105 249 1HH2 ARG 32 HH21 ARG 32 -27.584 11.682 11.682 250 2HH2 ARG 32 HH22 ARG 32 -28.915 11.106 11.106 251 H GLU 33 HN GLU 33 -22.268 8.767 8.767 252 HA GLU 33 HA GLU 33 -24.658 7.329 7.329 253 1HB GLU 33 HB2 GLU 33 -22.429 7.444 7.444 254 2HB GLU 33 HB1 GLU 33 -21.950 6.092 6.092 255 1HG GLU 33 HG2 GLU 33 -22.853 5.300 5.300 256 2HG GLU 33 HG1 GLU 33 -23.900 4.831 4.831 257 H LEU 34 HN LEU 34 -22.749 7.441 7.441 258 HA LEU 34 HA LEU 34 -22.387 6.047 6.047 259 1HB LEU 34 HB2 LEU 34 -25.077 4.866 4.866 260 2HB LEU 34 HB1 LEU 34 -24.334 5.636 5.636 261 HG LEU 34 HG LEU 34 -25.356 7.174 7.174 262 1HD1 LEU 34 HD11 LEU 34 -27.113 5.816 5.816 263 2HD1 LEU 34 HD13 LEU 34 -26.791 6.860 6.860 264 3HD1 LEU 34 HD12 LEU 34 -27.389 7.554 7.554 265 1HD2 LEU 34 HD21 LEU 34 -24.322 7.892 7.892 266 2HD2 LEU 34 HD23 LEU 34 -23.872 8.545 8.545 267 3HD2 LEU 34 HD22 LEU 34 -25.428 8.965 8.965 268 H VAL 35 HN VAL 35 -21.742 4.912 4.912 269 HA VAL 35 HA VAL 35 -22.535 2.199 2.199 270 HB VAL 35 HB VAL 35 -21.619 3.393 3.393 271 1HG1 VAL 35 HG12 VAL 35 -19.129 3.429 3.429 272 2HG1 VAL 35 HG11 VAL 35 -19.064 3.549 3.549 273 3HG1 VAL 35 HG13 VAL 35 -19.930 4.768 4.768 274 1HG2 VAL 35 HG22 VAL 35 -21.535 0.890 0.890 275 2HG2 VAL 35 HG21 VAL 35 -20.371 1.583 1.583 276 3HG2 VAL 35 HG23 VAL 35 -19.844 1.064 1.064 277 H HIS 36 HN HIS 36 -21.402 0.317 0.317 278 HA HIS 36 HA HIS 36 -20.035 0.418 0.418 279 1HB HIS 36 HB2 HIS 36 -20.991 -1.647 -1.647 280 2HB HIS 36 HB1 HIS 36 -19.508 -2.094 -2.094 281 HD2 HIS 36 HD2 HIS 36 -23.252 -1.351 -1.351 282 HE1 HIS 36 HE1 HIS 36 -21.401 -2.963 -2.963 283 HE2 HIS 36 HE2 HIS 36 -23.613 -2.407 -2.407 284 HA PRO 37 HA PRO 37 -15.933 1.182 1.182 285 1HB PRO 37 HB1 PRO 37 -14.606 0.703 0.703 286 2HB PRO 37 HB2 PRO 37 -15.551 2.171 2.171 287 1HG PRO 37 HG1 PRO 37 -16.305 -0.323 -0.323 288 2HG PRO 37 HG2 PRO 37 -16.572 1.370 1.370 289 1HD PRO 37 HD2 PRO 37 -18.511 -0.175 -0.175 290 2HD PRO 37 HD1 PRO 37 -18.416 1.576 1.576 291 H ASP 38 HN ASP 38 -16.972 -1.795 -1.795 292 HA ASP 38 HA ASP 38 -14.561 -3.183 -3.183 293 1HB ASP 38 HB1 ASP 38 -16.583 -4.813 -4.813 294 2HB ASP 38 HB2 ASP 38 -16.046 -3.446 -3.446 295 H ALA 39 HN ALA 39 -16.940 -2.171 -2.171 296 HA ALA 39 HA ALA 39 -18.404 -4.365 -4.365 297 1HB ALA 39 HB2 ALA 39 -18.372 -1.642 -1.642 298 2HB ALA 39 HB1 ALA 39 -17.904 -2.333 -2.333 299 3HB ALA 39 HB3 ALA 39 -19.417 -2.821 -2.821 300 H LEU 40 HN LEU 40 -17.462 -6.147 -6.147 301 HA LEU 40 HA LEU 40 -15.024 -5.962 -5.962 302 1HB LEU 40 HB2 LEU 40 -16.587 -8.408 -8.408 303 2HB LEU 40 HB1 LEU 40 -14.977 -8.390 -8.390 304 HG LEU 40 HG LEU 40 -14.872 -6.757 -6.757 305 1HD1 LEU 40 HD11 LEU 40 -16.566 -9.187 -9.187 306 2HD1 LEU 40 HD13 LEU 40 -15.472 -8.713 -8.713 307 3HD1 LEU 40 HD12 LEU 40 -16.720 -7.597 -7.597 308 1HD2 LEU 40 HD22 LEU 40 -13.784 -9.402 -9.402 309 2HD2 LEU 40 HD21 LEU 40 -12.941 -7.879 -7.879 310 3HD2 LEU 40 HD23 LEU 40 -13.521 -8.836 -8.836 311 H ASN 41 HN ASN 41 -14.819 -6.628 -6.628 312 HA ASN 41 HA ASN 41 -17.199 -6.358 -6.358 313 1HB ASN 41 HB1 ASN 41 -15.654 -6.491 -6.491 314 2HB ASN 41 HB2 ASN 41 -15.111 -5.309 -5.309 315 1HD2 ASN 41 HD22 ASN 41 -12.029 -6.912 -6.912 316 2HD2 ASN 41 HD21 ASN 41 -13.078 -5.638 -5.638 317 H ARG 42 HN ARG 42 -16.855 -7.976 -7.976 318 HA ARG 42 HA ARG 42 -17.837 -10.470 -10.470 319 1HB ARG 42 HB1 ARG 42 -18.086 -9.098 -9.098 320 2HB ARG 42 HB2 ARG 42 -16.928 -10.335 -10.335 321 1HG ARG 42 HG1 ARG 42 -19.581 -10.903 -10.903 322 2HG ARG 42 HG2 ARG 42 -19.289 -10.943 -10.943 323 1HD ARG 42 HD2 ARG 42 -17.276 -12.498 -12.498 324 2HD ARG 42 HD1 ARG 42 -18.824 -12.979 -12.979 325 HE ARG 42 HE ARG 42 -18.798 -12.803 -12.803 326 1HH1 ARG 42 HH11 ARG 42 -18.276 -14.833 -14.833 327 2HH1 ARG 42 HH12 ARG 42 -18.530 -16.311 -16.311 328 1HH2 ARG 42 HH21 ARG 42 -19.135 -14.742 -14.742 329 2HH2 ARG 42 HH22 ARG 42 -19.018 -16.258 -16.258 330 H PHE 43 HN PHE 43 -15.620 -10.512 -10.512 331 HA PHE 43 HA PHE 43 -14.216 -12.771 -12.771 332 1HB PHE 43 HB2 PHE 43 -13.158 -10.166 -10.166 333 2HB PHE 43 HB1 PHE 43 -11.998 -11.103 -11.103 334 HD1 PHE 43 HD1 PHE 43 -11.781 -13.634 -13.634 335 HD2 PHE 43 HD2 PHE 43 -13.187 -10.440 -10.440 336 HE1 PHE 43 HE1 PHE 43 -11.198 -14.929 -14.929 337 HE2 PHE 43 HE2 PHE 43 -12.606 -11.729 -11.729 338 HZ PHE 43 HZ PHE 43 -11.608 -13.977 -13.977 339 H GLY 44 HN GLY 44 -14.040 -9.901 -9.901 340 1HA GLY 44 HA1 GLY 44 -14.245 -10.302 -10.302 341 2HA GLY 44 HA2 GLY 44 -13.170 -11.676 -11.676 342 H LYS 45 HN LYS 45 -13.159 -8.196 -8.196 343 HA LYS 45 HA LYS 45 -10.606 -7.946 -7.946 344 1HB LYS 45 HB2 LYS 45 -10.954 -6.701 -6.701 345 2HB LYS 45 HB1 LYS 45 -9.472 -6.928 -6.928 346 1HG LYS 45 HG2 LYS 45 -9.541 -9.304 -9.304 347 2HG LYS 45 HG1 LYS 45 -11.108 -9.161 -9.161 348 1HD LYS 45 HD2 LYS 45 -9.553 -9.310 -9.310 349 2HD LYS 45 HD1 LYS 45 -9.937 -7.590 -7.590 350 1HE LYS 45 HE2 LYS 45 -7.882 -7.050 -7.050 351 2HE LYS 45 HE1 LYS 45 -7.630 -8.656 -8.656 352 1HZ LYS 45 HZ3 LYS 45 -7.623 -9.281 -9.281 353 2HZ LYS 45 HZ2 LYS 45 -7.096 -7.680 -7.680 354 3HZ LYS 45 HZ1 LYS 45 -6.220 -8.773 -8.773 355 H THR 46 HN THR 46 -10.194 -5.911 -5.911 356 HA THR 46 HA THR 46 -12.536 -4.232 -4.232 357 HB THR 46 HB THR 46 -10.990 -2.955 -2.955 358 HG1 THR 46 HG1 THR 46 -8.977 -3.471 -3.471 359 1HG2 THR 46 HG23 THR 46 -12.139 -5.576 -5.576 360 2HG2 THR 46 HG22 THR 46 -10.723 -5.336 -5.336 361 3HG2 THR 46 HG21 THR 46 -12.075 -4.206 -4.206 362 H ALA 47 HN ALA 47 -12.490 -1.927 -1.927 363 HA ALA 47 HA ALA 47 -11.631 -1.129 -1.129 364 1HB ALA 47 HB2 ALA 47 -13.370 -0.065 -0.065 365 2HB ALA 47 HB1 ALA 47 -12.005 0.850 0.850 366 3HB ALA 47 HB3 ALA 47 -12.442 0.989 0.989 367 H LEU 48 HN LEU 48 -9.911 -1.228 -1.228 368 HA LEU 48 HA LEU 48 -7.878 0.651 0.651 369 1HB LEU 48 HB1 LEU 48 -8.485 -1.156 -1.156 370 2HB LEU 48 HB2 LEU 48 -6.770 -1.072 -1.072 371 HG LEU 48 HG LEU 48 -8.504 1.344 1.344 372 1HD1 LEU 48 HD11 LEU 48 -7.482 -0.594 -0.594 373 2HD1 LEU 48 HD13 LEU 48 -6.640 0.937 0.937 374 3HD1 LEU 48 HD12 LEU 48 -8.400 0.873 0.873 375 1HD2 LEU 48 HD22 LEU 48 -6.391 1.599 1.599 376 2HD2 LEU 48 HD21 LEU 48 -6.496 2.580 2.580 377 3HD2 LEU 48 HD23 LEU 48 -5.508 1.119 1.119 378 H GLN 49 HN GLN 49 -8.017 -2.904 -2.904 379 HA GLN 49 HA GLN 49 -5.417 -3.313 -3.313 380 1HB GLN 49 HB1 GLN 49 -6.261 -5.231 -5.231 381 2HB GLN 49 HB2 GLN 49 -7.874 -4.973 -4.973 382 1HG GLN 49 HG2 GLN 49 -6.910 -6.903 -6.903 383 2HG GLN 49 HG1 GLN 49 -7.038 -5.616 -5.616 384 1HE2 GLN 49 HE21 GLN 49 -4.780 -7.113 -7.113 385 2HE2 GLN 49 HE22 GLN 49 -3.366 -6.845 -6.845 386 H VAL 50 HN VAL 50 -8.445 -2.564 -2.564 387 HA VAL 50 HA VAL 50 -7.351 -3.106 -3.106 388 HB VAL 50 HB VAL 50 -9.613 -2.583 -2.583 389 1HG1 VAL 50 HG12 VAL 50 -9.409 -4.622 -4.622 390 2HG1 VAL 50 HG11 VAL 50 -10.777 -4.516 -4.516 391 3HG1 VAL 50 HG13 VAL 50 -9.165 -4.871 -4.871 392 1HG2 VAL 50 HG23 VAL 50 -9.959 -1.700 -1.700 393 2HG2 VAL 50 HG22 VAL 50 -10.737 -1.132 -1.132 394 3HG2 VAL 50 HG21 VAL 50 -11.309 -2.602 -2.602 395 H MET 51 HN MET 51 -7.696 -0.556 -0.556 396 HA MET 51 HA MET 51 -8.274 1.689 1.689 397 1HB MET 51 HB2 MET 51 -7.181 1.188 1.188 398 2HB MET 51 HB1 MET 51 -5.862 2.012 2.012 399 1HG MET 51 HG1 MET 51 -7.418 3.854 3.854 400 2HG MET 51 HG2 MET 51 -8.659 3.042 3.042 401 1HE MET 51 HE3 MET 51 -4.904 3.654 3.654 402 2HE MET 51 HE2 MET 51 -4.659 4.273 4.273 403 3HE MET 51 HE1 MET 51 -5.074 2.576 2.576 404 H MET 52 HN MET 52 -7.000 3.274 3.274 405 HA MET 52 HA MET 52 -4.771 2.068 2.068 406 1HB MET 52 HB1 MET 52 -5.384 3.316 3.316 407 2HB MET 52 HB2 MET 52 -6.927 2.831 2.831 408 1HG MET 52 HG1 MET 52 -7.493 4.971 4.971 409 2HG MET 52 HG2 MET 52 -6.445 5.226 5.226 410 1HE MET 52 HE1 MET 52 -7.529 6.810 6.810 411 2HE MET 52 HE3 MET 52 -6.743 7.917 7.917 412 3HE MET 52 HE2 MET 52 -6.194 7.823 7.823 413 H PHE 53 HN PHE 53 -4.726 3.529 3.529 414 HA PHE 53 HA PHE 53 -3.688 5.325 5.325 415 1HB PHE 53 HB2 PHE 53 -1.625 4.168 4.168 416 2HB PHE 53 HB1 PHE 53 -1.232 5.371 5.371 417 HD1 PHE 53 HD1 PHE 53 -3.215 2.202 2.202 418 HD2 PHE 53 HD2 PHE 53 -0.229 4.509 4.509 419 HE1 PHE 53 HE1 PHE 53 -2.946 0.409 0.409 420 HE2 PHE 53 HE2 PHE 53 0.044 2.719 2.719 421 HZ PHE 53 HZ PHE 53 -1.315 0.667 0.667 422 H GLY 54 HN GLY 54 -5.243 6.123 6.123 423 1HA GLY 54 HA1 GLY 54 -3.736 8.010 8.010 424 2HA GLY 54 HA2 GLY 54 -5.487 7.890 7.890 425 H SER 55 HN SER 55 -6.619 8.994 8.994 426 HA SER 55 HA SER 55 -5.399 11.502 11.502 427 1HB SER 55 HB1 SER 55 -8.114 10.371 10.371 428 2HB SER 55 HB2 SER 55 -7.599 12.036 12.036 429 HG SER 55 HG SER 55 -7.439 12.312 12.312 430 HA PRO 56 HA PRO 56 -3.551 10.073 10.073 431 1HB PRO 56 HB2 PRO 56 -3.772 12.990 12.990 432 2HB PRO 56 HB1 PRO 56 -2.380 11.914 11.914 433 1HG PRO 56 HG2 PRO 56 -2.543 13.631 13.631 434 2HG PRO 56 HG1 PRO 56 -1.892 11.999 11.999 435 1HD PRO 56 HD1 PRO 56 -4.551 13.114 13.114 436 2HD PRO 56 HD2 PRO 56 -3.545 11.916 11.916 437 H ALA 57 HN ALA 57 -6.117 12.535 12.535 438 HA ALA 57 HA ALA 57 -6.947 12.118 12.118 439 1HB ALA 57 HB2 ALA 57 -7.742 13.736 13.736 440 2HB ALA 57 HB1 ALA 57 -9.174 12.978 12.978 441 3HB ALA 57 HB3 ALA 57 -8.105 13.944 13.944 442 H VAL 58 HN VAL 58 -7.686 10.411 10.411 443 HA VAL 58 HA VAL 58 -10.051 9.149 9.149 444 HB VAL 58 HB VAL 58 -7.953 8.526 8.526 445 1HG1 VAL 58 HG11 VAL 58 -8.545 6.358 6.358 446 2HG1 VAL 58 HG13 VAL 58 -10.254 6.708 6.708 447 3HG1 VAL 58 HG12 VAL 58 -9.175 6.545 6.545 448 1HG2 VAL 58 HG22 VAL 58 -9.758 10.210 10.210 449 2HG2 VAL 58 HG21 VAL 58 -9.718 8.901 8.901 450 3HG2 VAL 58 HG23 VAL 58 -10.927 8.893 8.893 451 H ALA 59 HN ALA 59 -6.641 8.302 8.302 452 HA ALA 59 HA ALA 59 -7.023 5.768 5.768 453 1HB ALA 59 HB2 ALA 59 -4.735 7.715 7.715 454 2HB ALA 59 HB1 ALA 59 -4.694 6.076 6.076 455 3HB ALA 59 HB3 ALA 59 -4.875 6.333 6.333 456 H LEU 60 HN LEU 60 -6.450 8.955 8.955 457 HA LEU 60 HA LEU 60 -6.610 8.111 8.111 458 1HB LEU 60 HB2 LEU 60 -5.665 10.279 10.279 459 2HB LEU 60 HB1 LEU 60 -7.300 10.829 10.829 460 HG LEU 60 HG LEU 60 -7.775 11.131 11.131 461 1HD1 LEU 60 HD22 LEU 60 -5.661 9.087 9.087 462 2HD1 LEU 60 HD21 LEU 60 -6.642 9.955 9.955 463 3HD1 LEU 60 HD23 LEU 60 -7.408 8.847 8.847 464 1HD2 LEU 60 HD13 LEU 60 -5.127 11.897 11.897 465 2HD2 LEU 60 HD12 LEU 60 -6.273 12.738 12.738 466 3HD2 LEU 60 HD11 LEU 60 -5.171 11.545 11.545 467 H GLU 61 HN GLU 61 -9.050 9.277 9.277 468 HA GLU 61 HA GLU 61 -11.187 9.477 9.477 469 1HB GLU 61 HB1 GLU 61 -10.806 9.668 9.668 470 2HB GLU 61 HB2 GLU 61 -12.249 8.724 8.724 471 1HG GLU 61 HG1 GLU 61 -12.453 11.273 11.273 472 2HG GLU 61 HG2 GLU 61 -13.317 10.483 10.483 473 H LEU 62 HN LEU 62 -10.073 6.804 6.804 474 HA LEU 62 HA LEU 62 -12.159 5.016 5.016 475 1HB LEU 62 HB1 LEU 62 -9.476 4.850 4.850 476 2HB LEU 62 HB2 LEU 62 -10.043 3.366 3.366 477 HG LEU 62 HG LEU 62 -11.242 4.874 4.874 478 1HD1 LEU 62 HD12 LEU 62 -9.429 3.115 3.115 479 2HD1 LEU 62 HD11 LEU 62 -10.634 1.944 1.944 480 3HD1 LEU 62 HD13 LEU 62 -10.910 2.887 2.887 481 1HD2 LEU 62 HD22 LEU 62 -12.546 2.920 2.920 482 2HD2 LEU 62 HD21 LEU 62 -13.177 4.432 4.432 483 3HD2 LEU 62 HD23 LEU 62 -13.027 3.018 3.018 484 H LEU 63 HN LEU 63 -8.852 5.156 5.156 485 HA LEU 63 HA LEU 63 -9.285 3.227 3.227 486 1HB LEU 63 HB2 LEU 63 -7.257 5.409 5.409 487 2HB LEU 63 HB1 LEU 63 -7.268 4.433 4.433 488 HG LEU 63 HG LEU 63 -7.254 2.992 2.992 489 1HD1 LEU 63 HD12 LEU 63 -5.147 4.853 4.853 490 2HD1 LEU 63 HD11 LEU 63 -4.604 3.246 3.246 491 3HD1 LEU 63 HD13 LEU 63 -5.525 4.241 4.241 492 1HD2 LEU 63 HD23 LEU 63 -6.900 2.384 2.384 493 2HD2 LEU 63 HD22 LEU 63 -6.766 1.298 1.298 494 3HD2 LEU 63 HD21 LEU 63 -5.338 2.142 2.142 495 H LYS 64 HN LYS 64 -9.876 6.667 6.667 496 HA LYS 64 HA LYS 64 -10.157 7.170 7.170 497 1HB LYS 64 HB2 LYS 64 -10.936 8.515 8.515 498 2HB LYS 64 HB1 LYS 64 -11.830 8.979 8.979 499 1HG LYS 64 HG2 LYS 64 -8.908 8.892 8.892 500 2HG LYS 64 HG1 LYS 64 -9.525 10.128 10.128 501 1HD LYS 64 HD2 LYS 64 -11.230 10.386 10.386 502 2HD LYS 64 HD1 LYS 64 -9.736 9.922 9.922 503 1HE LYS 64 HE1 LYS 64 -8.569 11.776 11.776 504 2HE LYS 64 HE2 LYS 64 -9.800 12.098 12.098 505 1HZ LYS 64 HZ2 LYS 64 -11.220 12.332 12.332 506 2HZ LYS 64 HZ1 LYS 64 -9.712 12.877 12.877 507 3HZ LYS 64 HZ3 LYS 64 -10.465 13.632 13.632 508 H GLN 65 HN GLN 65 -12.541 6.277 6.277 509 HA GLN 65 HA GLN 65 -14.835 6.394 6.394 510 1HB GLN 65 HB2 GLN 65 -15.100 6.139 6.139 511 2HB GLN 65 HB1 GLN 65 -14.112 4.686 4.686 512 1HG GLN 65 HG1 GLN 65 -16.528 4.255 4.255 513 2HG GLN 65 HG2 GLN 65 -15.815 3.424 3.424 514 1HE2 GLN 65 HE22 GLN 65 -18.116 6.707 6.707 515 2HE2 GLN 65 HE21 GLN 65 -16.999 6.732 6.732 516 H GLY 66 HN GLY 66 -12.292 4.032 4.032 517 1HA GLY 66 HA2 GLY 66 -12.060 2.727 2.727 518 2HA GLY 66 HA1 GLY 66 -13.787 2.424 2.424 519 H ALA 67 HN ALA 67 -11.204 2.246 2.246 520 HA ALA 67 HA ALA 67 -12.055 -0.519 -0.519 521 1HB ALA 67 HB1 ALA 67 -12.208 1.306 1.306 522 2HB ALA 67 HB3 ALA 67 -10.453 1.156 1.156 523 3HB ALA 67 HB2 ALA 67 -11.478 -0.239 -0.239 524 H SER 68 HN SER 68 -10.711 -2.102 -2.102 525 HA SER 68 HA SER 68 -8.213 -1.670 -1.670 526 1HB SER 68 HB1 SER 68 -8.397 -4.325 -4.325 527 2HB SER 68 HB2 SER 68 -8.461 -3.826 -3.826 528 HG SER 68 HG SER 68 -10.630 -3.664 -3.664 529 HA PRO 69 HA PRO 69 -5.773 -1.064 -1.064 530 1HB PRO 69 HB1 PRO 69 -3.372 -0.863 -0.863 531 2HB PRO 69 HB2 PRO 69 -4.566 0.439 0.439 532 1HG PRO 69 HG2 PRO 69 -3.947 -1.611 -1.611 533 2HG PRO 69 HG1 PRO 69 -4.256 0.125 0.125 534 1HD PRO 69 HD2 PRO 69 -6.140 -1.778 -1.778 535 2HD PRO 69 HD1 PRO 69 -6.538 -0.146 -0.146 536 H ASN 70 HN ASN 70 -4.833 -3.394 -3.394 537 HA ASN 70 HA ASN 70 -3.089 -4.884 -4.884 538 1HB ASN 70 HB2 ASN 70 -3.251 -4.797 -4.797 539 2HB ASN 70 HB1 ASN 70 -4.430 -6.088 -6.088 540 1HD2 ASN 70 HD22 ASN 70 -0.476 -6.780 -6.780 541 2HD2 ASN 70 HD21 ASN 70 -1.116 -5.205 -5.205 542 H VAL 71 HN VAL 71 -3.961 -5.685 -5.685 543 HA VAL 71 HA VAL 71 -6.094 -7.671 -7.671 544 HB VAL 71 HB VAL 71 -7.087 -6.868 -6.868 545 1HG1 VAL 71 HG21 VAL 71 -7.601 -6.127 -6.127 546 2HG1 VAL 71 HG23 VAL 71 -7.540 -4.584 -4.584 547 3HG1 VAL 71 HG22 VAL 71 -8.655 -5.842 -5.842 548 1HG2 VAL 71 HG13 VAL 71 -5.392 -4.449 -4.449 549 2HG2 VAL 71 HG12 VAL 71 -5.250 -5.511 -5.511 550 3HG2 VAL 71 HG11 VAL 71 -6.685 -4.505 -4.505 551 H GLN 72 HN GLN 72 -5.738 -9.499 -9.499 552 HA GLN 72 HA GLN 72 -3.938 -9.485 -9.485 553 1HB GLN 72 HB2 GLN 72 -3.514 -11.339 -11.339 554 2HB GLN 72 HB1 GLN 72 -2.565 -11.289 -11.289 555 1HG GLN 72 HG2 GLN 72 -1.529 -9.299 -9.299 556 2HG GLN 72 HG1 GLN 72 -2.785 -8.868 -8.868 557 1HE2 GLN 72 HE22 GLN 72 0.355 -10.048 -10.048 558 2HE2 GLN 72 HE21 GLN 72 0.050 -8.910 -8.910 559 H ASP 73 HN ASP 73 -4.595 -10.836 -10.836 560 HA ASP 73 HA ASP 73 -6.366 -13.065 -13.065 561 1HB ASP 73 HB1 ASP 73 -7.012 -11.316 -11.316 562 2HB ASP 73 HB2 ASP 73 -8.049 -12.469 -12.469 563 H ALA 74 HN ALA 74 -4.483 -11.446 -11.446 564 HA ALA 74 HA ALA 74 -4.079 -14.046 -14.046 565 1HB ALA 74 HB2 ALA 74 -3.770 -11.228 -11.228 566 2HB ALA 74 HB1 ALA 74 -3.203 -12.637 -12.637 567 3HB ALA 74 HB3 ALA 74 -4.919 -12.454 -12.454 568 H SER 75 HN SER 75 -2.284 -15.079 -15.079 569 HA SER 75 HA SER 75 -0.214 -15.440 -15.440 570 1HB SER 75 HB1 SER 75 0.975 -13.479 -13.479 571 2HB SER 75 HB2 SER 75 1.349 -15.187 -15.187 572 HG SER 75 HG SER 75 0.366 -15.111 -15.111 573 H GLY 76 HN GLY 76 -1.110 -14.042 -14.042 574 1HA GLY 76 HA2 GLY 76 -0.859 -12.268 -12.268 575 2HA GLY 76 HA1 GLY 76 0.819 -12.759 -12.759 576 H THR 77 HN THR 77 -1.599 -10.784 -10.784 577 HA THR 77 HA THR 77 0.518 -8.778 -8.778 578 HB THR 77 HB THR 77 -1.665 -9.623 -9.623 579 HG1 THR 77 HG1 THR 77 0.476 -10.744 -10.744 580 1HG2 THR 77 HG22 THR 77 -0.067 -7.145 -7.145 581 2HG2 THR 77 HG21 THR 77 -0.216 -7.948 -7.948 582 3HG2 THR 77 HG23 THR 77 -1.663 -7.451 -7.451 583 H SER 78 HN SER 78 -0.042 -6.629 -6.629 584 HA SER 78 HA SER 78 -2.801 -5.956 -5.956 585 1HB SER 78 HB2 SER 78 -0.878 -4.718 -4.718 586 2HB SER 78 HB1 SER 78 -2.457 -5.433 -5.433 587 HG SER 78 HG SER 78 0.067 -6.669 -6.669 588 HA PRO 79 HA PRO 79 -2.335 -1.953 -1.953 589 1HB PRO 79 HB1 PRO 79 -2.052 -0.672 -0.672 590 2HB PRO 79 HB2 PRO 79 -3.132 -0.257 -0.257 591 1HG PRO 79 HG1 PRO 79 -4.050 -1.548 -1.548 592 2HG PRO 79 HG2 PRO 79 -4.636 -1.944 -1.944 593 1HD PRO 79 HD1 PRO 79 -2.753 -3.442 -3.442 594 2HD PRO 79 HD2 PRO 79 -3.933 -4.055 -4.055 595 H VAL 80 HN VAL 80 -0.237 -2.147 -2.147 596 HA VAL 80 HA VAL 80 1.731 -0.380 -0.380 597 HB VAL 80 HB VAL 80 1.357 -2.160 -2.160 598 1HG1 VAL 80 HG11 VAL 80 3.951 -2.806 -2.806 599 2HG1 VAL 80 HG13 VAL 80 3.586 -3.218 -3.218 600 3HG1 VAL 80 HG12 VAL 80 2.630 -3.916 -3.916 601 1HG2 VAL 80 HG23 VAL 80 2.220 0.203 0.203 602 2HG2 VAL 80 HG22 VAL 80 2.985 -0.871 -0.871 603 3HG2 VAL 80 HG21 VAL 80 3.811 -0.479 -0.479 604 H HIS 81 HN HIS 81 1.343 -3.776 -3.776 605 HA HIS 81 HA HIS 81 3.815 -4.196 -4.196 606 1HB HIS 81 HB2 HIS 81 1.221 -5.526 -5.526 607 2HB HIS 81 HB1 HIS 81 2.030 -5.731 -5.731 608 HD2 HIS 81 HD2 HIS 81 4.508 -7.078 -7.078 609 HE1 HIS 81 HE1 HIS 81 3.843 -8.535 -8.535 610 HE2 HIS 81 HE2 HIS 81 5.412 -8.560 -8.560 611 H ASP 82 HN ASP 82 0.752 -3.781 -3.781 612 HA ASP 82 HA ASP 82 1.919 -3.201 -3.201 613 1HB ASP 82 HB2 ASP 82 -0.703 -3.372 -3.372 614 2HB ASP 82 HB1 ASP 82 -0.588 -1.834 -1.834 615 H ALA 83 HN ALA 83 1.122 -1.096 -1.096 616 HA ALA 83 HA ALA 83 1.189 1.386 1.386 617 1HB ALA 83 HB1 ALA 83 0.690 0.821 0.821 618 2HB ALA 83 HB3 ALA 83 2.434 0.869 0.869 619 3HB ALA 83 HB2 ALA 83 1.585 2.311 2.311 620 H ALA 84 HN ALA 84 3.952 -0.381 -0.381 621 HA ALA 84 HA ALA 84 5.899 1.516 1.516 622 1HB ALA 84 HB3 ALA 84 5.882 -0.730 -0.730 623 2HB ALA 84 HB2 ALA 84 6.845 -1.244 -1.244 624 3HB ALA 84 HB1 ALA 84 7.322 0.179 0.179 625 H ARG 85 HN ARG 85 4.852 -1.512 -1.512 626 HA ARG 85 HA ARG 85 6.662 -1.290 -1.290 627 1HB ARG 85 HB2 ARG 85 5.859 -3.464 -3.464 628 2HB ARG 85 HB1 ARG 85 4.185 -2.961 -2.961 629 1HG ARG 85 HG1 ARG 85 4.288 -3.827 -3.827 630 2HG ARG 85 HG2 ARG 85 5.327 -2.469 -2.469 631 1HD ARG 85 HD1 ARG 85 7.243 -3.710 -3.710 632 2HD ARG 85 HD2 ARG 85 6.570 -4.825 -4.825 633 HE ARG 85 HE ARG 85 6.501 -5.098 -5.098 634 1HH1 ARG 85 HH11 ARG 85 4.821 -5.864 -5.864 635 2HH1 ARG 85 HH12 ARG 85 4.031 -7.258 -7.258 636 1HH2 ARG 85 HH21 ARG 85 5.466 -6.930 -6.930 637 2HH2 ARG 85 HH22 ARG 85 4.397 -7.863 -7.863 638 H THR 86 HN THR 86 3.518 -0.006 -0.006 639 HA THR 86 HA THR 86 2.754 0.470 0.470 640 HB THR 86 HB THR 86 1.127 2.110 2.110 641 HG1 THR 86 HG1 THR 86 1.529 2.486 2.486 642 1HG2 THR 86 HG22 THR 86 1.185 -0.830 -0.830 643 2HG2 THR 86 HG21 THR 86 -0.038 0.126 0.126 644 3HG2 THR 86 HG23 THR 86 0.059 0.164 0.164 645 H GLY 87 HN GLY 87 3.323 2.926 2.926 646 1HA GLY 87 HA1 GLY 87 5.257 4.476 4.476 647 2HA GLY 87 HA2 GLY 87 4.625 4.577 4.577 648 H PHE 88 HN PHE 88 3.448 4.933 4.933 649 HA PHE 88 HA PHE 88 2.401 7.564 7.564 650 1HB PHE 88 HB2 PHE 88 0.675 5.245 5.245 651 2HB PHE 88 HB1 PHE 88 0.181 6.920 6.920 652 HD1 PHE 88 HD2 PHE 88 -0.187 8.382 8.382 653 HD2 PHE 88 HD1 PHE 88 0.555 4.200 4.200 654 HE1 PHE 88 HE2 PHE 88 -1.069 8.441 8.441 655 HE2 PHE 88 HE1 PHE 88 -0.325 4.252 4.252 656 HZ PHE 88 HZ PHE 88 -1.137 6.374 6.374 657 H LEU 89 HN LEU 89 4.481 7.403 7.403 658 HA LEU 89 HA LEU 89 4.329 6.747 6.747 659 1HB LEU 89 HB2 LEU 89 6.378 7.470 7.470 660 2HB LEU 89 HB1 LEU 89 5.767 9.113 9.113 661 HG LEU 89 HG LEU 89 7.491 8.416 8.416 662 1HD1 LEU 89 HD12 LEU 89 5.751 10.464 10.464 663 2HD1 LEU 89 HD11 LEU 89 5.233 9.776 9.776 664 3HD1 LEU 89 HD13 LEU 89 6.905 10.296 10.296 665 1HD2 LEU 89 HD23 LEU 89 4.920 7.325 7.325 666 2HD2 LEU 89 HD22 LEU 89 6.422 6.449 6.449 667 3HD2 LEU 89 HD21 LEU 89 6.352 7.679 7.679 668 H ASP 90 HN ASP 90 2.676 9.249 9.249 669 HA ASP 90 HA ASP 90 2.327 11.131 11.131 670 1HB ASP 90 HB1 ASP 90 0.203 10.484 10.484 671 2HB ASP 90 HB2 ASP 90 0.584 12.042 12.042 672 H THR 91 HN THR 91 -0.193 8.872 8.872 673 HA THR 91 HA THR 91 -1.606 9.060 9.060 674 HB THR 91 HB THR 91 -2.061 6.908 6.908 675 HG1 THR 91 HG1 THR 91 -2.342 9.648 9.648 676 1HG2 THR 91 HG22 THR 91 -3.454 7.667 7.667 677 2HG2 THR 91 HG21 THR 91 -4.375 8.338 8.338 678 3HG2 THR 91 HG23 THR 91 -4.018 6.612 6.612 679 H LEU 92 HN LEU 92 0.796 6.933 6.933 680 HA LEU 92 HA LEU 92 0.415 4.647 4.647 681 1HB LEU 92 HB2 LEU 92 1.968 4.609 4.609 682 2HB LEU 92 HB1 LEU 92 2.911 5.912 5.912 683 HG LEU 92 HG LEU 92 2.646 3.236 3.236 684 1HD1 LEU 92 HD11 LEU 92 3.738 3.499 3.499 685 2HD1 LEU 92 HD13 LEU 92 5.134 3.807 3.807 686 3HD1 LEU 92 HD12 LEU 92 4.233 2.299 2.299 687 1HD2 LEU 92 HD21 LEU 92 4.226 5.710 5.710 688 2HD2 LEU 92 HD23 LEU 92 3.548 4.594 4.594 689 3HD2 LEU 92 HD22 LEU 92 5.028 4.173 4.173 690 H LYS 93 HN LYS 93 2.638 7.356 7.356 691 HA LYS 93 HA LYS 93 3.488 6.526 6.526 692 1HB LYS 93 HB1 LYS 93 4.253 8.741 8.741 693 2HB LYS 93 HB2 LYS 93 4.380 8.451 8.451 694 1HG LYS 93 HG2 LYS 93 2.306 9.684 9.684 695 2HG LYS 93 HG1 LYS 93 2.175 9.973 9.973 696 1HD LYS 93 HD1 LYS 93 3.309 11.859 11.859 697 2HD LYS 93 HD2 LYS 93 4.725 10.826 10.826 698 1HE LYS 93 HE1 LYS 93 4.895 11.541 11.541 699 2HE LYS 93 HE2 LYS 93 3.346 10.777 10.777 700 1HZ LYS 93 HZ2 LYS 93 3.560 13.504 13.504 701 2HZ LYS 93 HZ1 LYS 93 3.516 13.211 13.211 702 3HZ LYS 93 HZ3 LYS 93 2.202 12.771 12.771 703 H VAL 94 HN VAL 94 0.502 8.132 8.132 704 HA VAL 94 HA VAL 94 -0.334 9.026 9.026 705 HB VAL 94 HB VAL 94 -1.883 8.113 8.113 706 1HG1 VAL 94 HG22 VAL 94 -3.247 7.596 7.596 707 2HG1 VAL 94 HG21 VAL 94 -3.047 9.251 9.251 708 3HG1 VAL 94 HG23 VAL 94 -3.926 8.936 8.936 709 1HG2 VAL 94 HG13 VAL 94 -0.973 10.691 10.691 710 2HG2 VAL 94 HG12 VAL 94 -1.082 10.172 10.172 711 3HG2 VAL 94 HG11 VAL 94 -2.536 10.671 10.671 712 H LEU 95 HN LEU 95 -1.491 6.056 6.056 713 HA LEU 95 HA LEU 95 -2.504 4.951 4.951 714 1HB LEU 95 HB1 LEU 95 -2.761 2.873 2.873 715 2HB LEU 95 HB2 LEU 95 -3.532 4.292 4.292 716 HG LEU 95 HG LEU 95 -1.065 4.342 4.342 717 1HD1 LEU 95 HD12 LEU 95 -1.756 1.550 1.550 718 2HD1 LEU 95 HD11 LEU 95 -1.144 1.851 1.851 719 3HD1 LEU 95 HD13 LEU 95 -0.179 2.307 2.307 720 1HD2 LEU 95 HD21 LEU 95 -3.813 3.711 3.711 721 2HD2 LEU 95 HD23 LEU 95 -2.613 4.683 4.683 722 3HD2 LEU 95 HD22 LEU 95 -2.631 2.931 2.931 723 H VAL 96 HN VAL 96 0.525 4.795 4.795 724 HA VAL 96 HA VAL 96 1.563 2.506 2.506 725 HB VAL 96 HB VAL 96 2.823 4.683 4.683 726 1HG1 VAL 96 HG13 VAL 96 4.165 2.603 2.603 727 2HG1 VAL 96 HG12 VAL 96 4.875 3.070 3.070 728 3HG1 VAL 96 HG11 VAL 96 4.623 4.281 4.281 729 1HG2 VAL 96 HG23 VAL 96 1.818 1.974 1.974 730 2HG2 VAL 96 HG22 VAL 96 2.068 3.290 3.290 731 3HG2 VAL 96 HG21 VAL 96 3.419 2.257 2.257 732 H GLU 97 HN GLU 97 1.785 5.997 5.997 733 HA GLU 97 HA GLU 97 3.644 5.826 5.826 734 1HB GLU 97 HB2 GLU 97 3.317 8.170 8.170 735 2HB GLU 97 HB1 GLU 97 3.273 7.844 7.844 736 1HG GLU 97 HG2 GLU 97 0.860 8.212 8.212 737 2HG GLU 97 HG1 GLU 97 1.558 9.446 9.446 738 H HIS 98 HN HIS 98 0.204 5.588 5.588 739 HA HIS 98 HA HIS 98 -0.567 6.266 6.266 740 1HB HIS 98 HB1 HIS 98 -2.081 5.889 5.889 741 2HB HIS 98 HB2 HIS 98 -1.890 4.161 4.161 742 HD2 HIS 98 HD2 HIS 98 -4.310 6.807 6.807 743 HE1 HIS 98 HE1 HIS 98 -4.487 4.074 4.074 744 HE2 HIS 98 HE2 HIS 98 -5.523 6.146 6.146 745 H GLY 99 HN GLY 99 -0.204 2.975 2.975 746 1HA GLY 99 HA1 GLY 99 1.311 2.002 2.002 747 2HA GLY 99 HA2 GLY 99 -0.385 1.631 1.631 748 H ALA 100 HN ALA 100 -0.906 1.329 1.329 749 HA ALA 100 HA ALA 100 -0.963 -1.282 -1.282 750 1HB ALA 100 HB1 ALA 100 -0.481 0.971 0.971 751 2HB ALA 100 HB3 ALA 100 -0.244 -0.660 -0.660 752 3HB ALA 100 HB2 ALA 100 -1.803 -0.196 -0.196 753 H ASP 101 HN ASP 101 0.419 -2.898 -2.898 754 HA ASP 101 HA ASP 101 3.069 -2.832 -2.832 755 1HB ASP 101 HB2 ASP 101 1.200 -4.839 -4.839 756 2HB ASP 101 HB1 ASP 101 2.665 -5.105 -5.105 757 H VAL 102 HN VAL 102 4.776 -2.052 -2.052 758 HA VAL 102 HA VAL 102 4.740 -1.954 -1.954 759 HB VAL 102 HB VAL 102 4.899 0.226 0.226 760 1HG1 VAL 102 HG21 VAL 102 6.628 -0.841 -0.841 761 2HG1 VAL 102 HG23 VAL 102 7.794 -0.476 -0.476 762 3HG1 VAL 102 HG22 VAL 102 6.878 0.827 0.827 763 1HG2 VAL 102 HG12 VAL 102 5.569 -0.226 -0.226 764 2HG2 VAL 102 HG11 VAL 102 6.190 1.234 1.234 765 3HG2 VAL 102 HG13 VAL 102 7.230 -0.180 -0.180 766 H ASN 103 HN ASN 103 5.648 -4.136 -4.136 767 HA ASN 103 HA ASN 103 8.270 -4.538 -4.538 768 1HB ASN 103 HB1 ASN 103 8.189 -5.691 -5.691 769 2HB ASN 103 HB2 ASN 103 9.401 -4.644 -4.644 770 1HD2 ASN 103 HD22 ASN 103 6.301 -2.934 -2.934 771 2HD2 ASN 103 HD21 ASN 103 6.070 -4.419 -4.419 772 H ALA 104 HN ALA 104 5.553 -5.577 -5.577 773 HA ALA 104 HA ALA 104 5.975 -8.426 -8.426 774 1HB ALA 104 HB2 ALA 104 3.462 -6.918 -6.918 775 2HB ALA 104 HB1 ALA 104 3.555 -8.676 -8.676 776 3HB ALA 104 HB3 ALA 104 3.865 -7.680 -7.680 777 H LEU 105 HN LEU 105 6.381 -9.817 -9.817 778 HA LEU 105 HA LEU 105 6.521 -8.821 -8.821 779 1HB LEU 105 HB2 LEU 105 7.503 -11.525 -11.525 780 2HB LEU 105 HB1 LEU 105 8.275 -10.197 -10.197 781 HG LEU 105 HG LEU 105 9.661 -10.553 -10.553 782 1HD1 LEU 105 HD23 LEU 105 8.239 -8.191 -8.191 783 2HD1 LEU 105 HD22 LEU 105 8.218 -8.662 -8.662 784 3HD1 LEU 105 HD21 LEU 105 9.754 -8.483 -8.483 785 1HD2 LEU 105 HD11 LEU 105 7.515 -11.851 -11.851 786 2HD2 LEU 105 HD13 LEU 105 9.098 -11.654 -11.654 787 3HD2 LEU 105 HD12 LEU 105 7.799 -10.521 -10.521 788 H ASP 106 HN ASP 106 5.912 -10.320 -10.320 789 HA ASP 106 HA ASP 106 3.304 -11.430 -11.430 790 1HB ASP 106 HB1 ASP 106 3.095 -11.613 -11.613 791 2HB ASP 106 HB2 ASP 106 3.721 -10.020 -10.020 792 H SER 107 HN SER 107 4.927 -12.957 -12.957 793 HA SER 107 HA SER 107 5.248 -15.193 -15.193 794 1HB SER 107 HB1 SER 107 3.408 -15.546 -15.546 795 2HB SER 107 HB2 SER 107 4.691 -15.725 -15.725 796 HG SER 107 HG SER 107 5.508 -17.454 -17.454 797 H THR 108 HN THR 108 6.378 -14.538 -14.538 798 HA THR 108 HA THR 108 8.651 -16.017 -16.017 799 HB THR 108 HB THR 108 9.571 -14.456 -14.456 800 HG1 THR 108 HG1 THR 108 7.610 -12.599 -12.599 801 1HG2 THR 108 HG21 THR 108 7.005 -15.486 -15.486 802 2HG2 THR 108 HG23 THR 108 6.877 -13.807 -13.807 803 3HG2 THR 108 HG22 THR 108 8.042 -14.882 -14.882 804 H GLY 109 HN GLY 109 8.049 -13.145 -13.145 805 1HA GLY 109 HA1 GLY 109 9.199 -12.508 -12.508 806 2HA GLY 109 HA2 GLY 109 10.505 -13.591 -13.591 807 H SER 110 HN SER 110 9.137 -11.212 -11.212 808 HA SER 110 HA SER 110 11.729 -9.838 -9.838 809 1HB SER 110 HB1 SER 110 10.314 -8.802 -8.802 810 2HB SER 110 HB2 SER 110 11.417 -10.173 -10.173 811 HG SER 110 HG SER 110 9.234 -10.499 -10.499 812 H LEU 111 HN LEU 111 11.606 -8.373 -8.373 813 HA LEU 111 HA LEU 111 9.616 -6.966 -6.966 814 1HB LEU 111 HB1 LEU 111 12.225 -6.755 -6.755 815 2HB LEU 111 HB2 LEU 111 12.009 -5.379 -5.379 816 HG LEU 111 HG LEU 111 10.376 -4.445 -4.445 817 1HD1 LEU 111 HD22 LEU 111 9.869 -6.650 -6.650 818 2HD1 LEU 111 HD21 LEU 111 11.452 -6.573 -6.573 819 3HD1 LEU 111 HD23 LEU 111 10.231 -5.352 -5.352 820 1HD2 LEU 111 HD11 LEU 111 13.190 -4.496 -4.496 821 2HD2 LEU 111 HD13 LEU 111 12.107 -3.262 -3.262 822 3HD2 LEU 111 HD12 LEU 111 12.634 -4.596 -4.596 823 HA PRO 112 HA PRO 112 7.248 -4.787 -4.787 824 1HB PRO 112 HB2 PRO 112 7.298 -2.676 -2.676 825 2HB PRO 112 HB1 PRO 112 5.929 -3.310 -3.310 826 1HG PRO 112 HG1 PRO 112 6.346 -4.086 -4.086 827 2HG PRO 112 HG2 PRO 112 5.790 -5.239 -5.239 828 1HD PRO 112 HD2 PRO 112 8.477 -4.945 -4.945 829 2HD PRO 112 HD1 PRO 112 7.668 -6.401 -6.401 830 H ILE 113 HN ILE 113 9.984 -3.304 -3.304 831 HA ILE 113 HA ILE 113 10.208 -1.078 -1.078 832 HB ILE 113 HB ILE 113 11.163 -0.878 -0.878 833 1HG1 ILE 113 HG11 ILE 113 13.627 -1.100 -1.100 834 2HG1 ILE 113 HG12 ILE 113 12.362 0.014 0.014 835 1HG2 ILE 113 HG22 ILE 113 12.795 -3.284 -3.284 836 2HG2 ILE 113 HG21 ILE 113 13.185 -2.250 -2.250 837 3HG2 ILE 113 HG23 ILE 113 11.655 -3.126 -3.126 838 1HD1 ILE 113 HD13 ILE 113 13.135 0.206 0.206 839 2HD1 ILE 113 HD12 ILE 113 14.377 0.662 0.662 840 3HD1 ILE 113 HD11 ILE 113 12.810 1.471 1.471 841 H HIS 114 HN HIS 114 11.587 -4.310 -4.310 842 HA HIS 114 HA HIS 114 13.646 -4.076 -4.076 843 1HB HIS 114 HB1 HIS 114 11.760 -6.405 -6.405 844 2HB HIS 114 HB2 HIS 114 13.276 -6.493 -6.493 845 HD2 HIS 114 HD2 HIS 114 14.809 -4.581 -4.581 846 HE1 HIS 114 HE1 HIS 114 14.128 -8.141 -8.141 847 HE2 HIS 114 HE2 HIS 114 15.558 -6.055 -6.055 848 H LEU 115 HN LEU 115 10.189 -4.425 -4.425 849 HA LEU 115 HA LEU 115 10.375 -4.802 -4.802 850 1HB LEU 115 HB1 LEU 115 7.960 -3.495 -3.495 851 2HB LEU 115 HB2 LEU 115 8.100 -4.862 -4.862 852 HG LEU 115 HG LEU 115 8.199 -4.834 -4.834 853 1HD1 LEU 115 HD12 LEU 115 6.479 -5.946 -5.946 854 2HD1 LEU 115 HD11 LEU 115 6.741 -6.964 -6.964 855 3HD1 LEU 115 HD13 LEU 115 6.061 -5.348 -5.348 856 1HD2 LEU 115 HD23 LEU 115 9.839 -6.442 -6.442 857 2HD2 LEU 115 HD22 LEU 115 9.774 -6.395 -6.395 858 3HD2 LEU 115 HD21 LEU 115 8.683 -7.453 -7.453 859 H ALA 116 HN ALA 116 9.764 -1.953 -1.953 860 HA ALA 116 HA ALA 116 9.378 -0.084 -0.084 861 1HB ALA 116 HB3 ALA 116 8.986 0.329 0.329 862 2HB ALA 116 HB2 ALA 116 10.732 0.411 0.411 863 3HB ALA 116 HB1 ALA 116 9.922 1.604 1.604 864 H ILE 117 HN ILE 117 12.347 -1.266 -1.266 865 HA ILE 117 HA ILE 117 14.179 0.461 0.461 866 HB ILE 117 HB ILE 117 14.473 -2.410 -2.410 867 1HG1 ILE 117 HG11 ILE 117 15.495 0.156 0.156 868 2HG1 ILE 117 HG12 ILE 117 14.019 -0.665 -0.665 869 1HG2 ILE 117 HG22 ILE 117 16.579 -0.505 -0.505 870 2HG2 ILE 117 HG21 ILE 117 16.930 -1.983 -1.983 871 3HG2 ILE 117 HG23 ILE 117 16.136 -2.073 -2.073 872 1HD1 ILE 117 HD12 ILE 117 15.463 -2.682 -2.682 873 2HD1 ILE 117 HD11 ILE 117 16.850 -1.610 -1.610 874 3HD1 ILE 117 HD13 ILE 117 15.668 -1.294 -1.294 875 H ARG 118 HN ARG 118 12.690 -2.512 -2.512 876 HA ARG 118 HA ARG 118 14.281 -2.791 -2.791 877 1HB ARG 118 HB1 ARG 118 11.427 -3.718 -3.718 878 2HB ARG 118 HB2 ARG 118 12.752 -4.453 -4.453 879 1HG ARG 118 HG1 ARG 118 13.664 -4.517 -4.517 880 2HG ARG 118 HG2 ARG 118 11.933 -4.813 -4.813 881 1HD ARG 118 HD2 ARG 118 13.077 -6.917 -6.917 882 2HD ARG 118 HD1 ARG 118 12.094 -6.602 -6.602 883 HE ARG 118 HE ARG 118 14.447 -5.655 -5.655 884 1HH1 ARG 118 HH21 ARG 118 13.642 -8.615 -8.615 885 2HH1 ARG 118 HH22 ARG 118 14.957 -9.507 -9.507 886 1HH2 ARG 118 HH11 ARG 118 16.182 -6.819 -6.819 887 2HH2 ARG 118 HH12 ARG 118 16.402 -8.487 -8.487 888 H GLU 119 HN GLU 119 11.802 -0.616 -0.616 889 HA GLU 119 HA GLU 119 11.206 0.008 0.008 890 1HB GLU 119 HB1 GLU 119 9.927 0.945 0.945 891 2HB GLU 119 HB2 GLU 119 9.454 1.504 1.504 892 1HG GLU 119 HG2 GLU 119 9.453 -1.413 -1.413 893 2HG GLU 119 HG1 GLU 119 8.107 -0.380 -0.380 894 H GLY 120 HN GLY 120 12.199 1.656 1.656 895 1HA GLY 120 HA2 GLY 120 13.844 3.303 3.303 896 2HA GLY 120 HA1 GLY 120 13.933 3.396 3.396 897 H HIS 121 HN HIS 121 11.077 3.710 3.710 898 HA HIS 121 HA HIS 121 10.239 6.072 6.072 899 1HB HIS 121 HB2 HIS 121 9.200 4.410 4.410 900 2HB HIS 121 HB1 HIS 121 8.596 6.057 6.057 901 HD2 HIS 121 HD2 HIS 121 7.813 2.637 2.637 902 HE1 HIS 121 HE1 HIS 121 6.141 5.362 5.362 903 HE2 HIS 121 HE2 HIS 121 6.349 2.921 2.921 904 H SER 122 HN SER 122 12.585 5.631 5.631 905 HA SER 122 HA SER 122 13.777 7.030 7.030 906 1HB SER 122 HB1 SER 122 12.351 9.488 9.488 907 2HB SER 122 HB2 SER 122 14.079 9.139 9.139 908 HG SER 122 HG SER 122 12.480 9.174 9.174 909 H SER 123 HN SER 123 10.667 8.755 8.755 910 HA SER 123 HA SER 123 10.556 9.433 9.433 911 1HB SER 123 HB1 SER 123 8.389 9.075 9.075 912 2HB SER 123 HB2 SER 123 8.039 9.626 9.626 913 HG SER 123 HG SER 123 9.115 10.987 10.987 914 H VAL 124 HN VAL 124 9.291 6.577 6.577 915 HA VAL 124 HA VAL 124 8.032 5.495 5.495 916 HB VAL 124 HB VAL 124 8.770 4.261 4.261 917 1HG1 VAL 124 HG11 VAL 124 8.833 2.549 2.549 918 2HG1 VAL 124 HG13 VAL 124 7.194 2.997 2.997 919 3HG1 VAL 124 HG12 VAL 124 7.492 2.302 2.302 920 1HG2 VAL 124 HG21 VAL 124 6.777 5.995 5.995 921 2HG2 VAL 124 HG23 VAL 124 6.698 4.789 4.789 922 3HG2 VAL 124 HG22 VAL 124 5.971 4.453 4.453 923 H VAL 125 HN VAL 125 10.861 4.354 4.354 924 HA VAL 125 HA VAL 125 11.760 2.457 2.457 925 HB VAL 125 HB VAL 125 14.109 3.156 3.156 926 1HG1 VAL 125 HG21 VAL 125 11.819 1.837 1.837 927 2HG1 VAL 125 HG23 VAL 125 13.306 2.102 2.102 928 3HG1 VAL 125 HG22 VAL 125 13.337 1.148 1.148 929 1HG2 VAL 125 HG13 VAL 125 12.505 5.221 5.221 930 2HG2 VAL 125 HG12 VAL 125 14.194 4.878 4.878 931 3HG2 VAL 125 HG11 VAL 125 12.912 4.182 4.182 932 H SER 126 HN SER 126 12.755 5.866 5.866 933 HA SER 126 HA SER 126 14.512 5.914 5.914 934 1HB SER 126 HB2 SER 126 14.262 8.306 8.306 935 2HB SER 126 HB1 SER 126 14.208 7.722 7.722 936 HG SER 126 HG SER 126 12.460 8.935 8.935 937 H PHE 127 HN PHE 127 11.040 6.443 6.443 938 HA PHE 127 HA PHE 127 10.806 7.057 7.057 939 1HB PHE 127 HB2 PHE 127 9.127 7.921 7.921 940 2HB PHE 127 HB1 PHE 127 8.777 6.321 6.321 941 HD1 PHE 127 HD1 PHE 127 8.575 8.376 8.376 942 HD2 PHE 127 HD2 PHE 127 7.131 4.973 4.973 943 HE1 PHE 127 HE1 PHE 127 6.791 8.091 8.091 944 HE2 PHE 127 HE2 PHE 127 5.344 4.682 4.682 945 HZ PHE 127 HZ PHE 127 5.172 6.248 6.248 946 H LEU 128 HN LEU 128 10.440 4.141 4.141 947 HA LEU 128 HA LEU 128 9.389 2.540 2.540 948 1HB LEU 128 HB1 LEU 128 10.150 2.195 2.195 949 2HB LEU 128 HB2 LEU 128 10.610 0.815 0.815 950 HG LEU 128 HG LEU 128 8.343 0.687 0.687 951 1HD1 LEU 128 HD13 LEU 128 9.169 -0.565 -0.565 952 2HD1 LEU 128 HD12 LEU 128 8.070 0.504 0.504 953 3HD1 LEU 128 HD11 LEU 128 7.446 -0.574 -0.574 954 1HD2 LEU 128 HD21 LEU 128 7.864 3.139 3.139 955 2HD2 LEU 128 HD23 LEU 128 6.551 1.964 1.964 956 3HD2 LEU 128 HD22 LEU 128 7.391 2.478 2.478 957 H ALA 129 HN ALA 129 12.372 3.893 3.893 958 HA ALA 129 HA ALA 129 14.076 1.738 1.738 959 1HB ALA 129 HB3 ALA 129 14.322 4.650 4.650 960 2HB ALA 129 HB2 ALA 129 15.419 3.911 3.911 961 3HB ALA 129 HB1 ALA 129 15.415 3.364 3.364 962 HA PRO 130 HA PRO 130 13.981 3.322 3.322 963 1HB PRO 130 HB2 PRO 130 12.386 5.460 5.460 964 2HB PRO 130 HB1 PRO 130 14.085 5.606 5.606 965 1HG PRO 130 HG2 PRO 130 11.630 5.969 5.969 966 2HG PRO 130 HG1 PRO 130 13.122 6.929 6.929 967 1HD PRO 130 HD1 PRO 130 12.616 5.083 5.083 968 2HD PRO 130 HD2 PRO 130 14.257 5.428 5.428 969 H GLU 131 HN GLU 131 10.787 4.337 4.337 970 HA GLU 131 HA GLU 131 9.130 3.430 3.430 971 1HB GLU 131 HB1 GLU 131 8.711 3.065 3.065 972 2HB GLU 131 HB2 GLU 131 7.444 2.992 2.992 973 1HG GLU 131 HG1 GLU 131 9.172 5.414 5.414 974 2HG GLU 131 HG2 GLU 131 7.659 5.155 5.155 975 H SER 132 HN SER 132 10.779 1.437 1.437 976 HA SER 132 HA SER 132 9.574 -0.981 -0.981 977 1HB SER 132 HB1 SER 132 11.492 -0.780 -0.780 978 2HB SER 132 HB2 SER 132 10.450 -2.140 -2.140 979 HG SER 132 HG SER 132 9.893 -0.058 -0.058 980 H ASP 133 HN ASP 133 10.653 -2.388 -2.388 981 HA ASP 133 HA ASP 133 12.746 -1.812 -1.812 982 1HB ASP 133 HB2 ASP 133 13.303 -4.340 -4.340 983 2HB ASP 133 HB1 ASP 133 11.949 -4.454 -4.454 984 H LEU 134 HN LEU 134 14.601 -0.870 -0.870 985 HA LEU 134 HA LEU 134 15.898 -1.349 -1.349 986 1HB LEU 134 HB1 LEU 134 16.550 0.208 0.208 987 2HB LEU 134 HB2 LEU 134 17.758 -0.015 -0.015 988 HG LEU 134 HG LEU 134 15.053 1.242 1.242 989 1HD1 LEU 134 HD11 LEU 134 16.493 2.593 2.593 990 2HD1 LEU 134 HD13 LEU 134 17.746 2.574 2.574 991 3HD1 LEU 134 HD12 LEU 134 16.201 3.362 3.362 992 1HD2 LEU 134 HD21 LEU 134 16.368 0.055 0.055 993 2HD2 LEU 134 HD23 LEU 134 15.693 1.660 1.660 994 3HD2 LEU 134 HD22 LEU 134 17.410 1.475 1.475 995 H HIS 135 HN HIS 135 15.715 -3.259 -3.259 996 HA HIS 135 HA HIS 135 18.433 -4.330 -4.330 997 1HB HIS 135 HB2 HIS 135 17.529 -5.545 -5.545 998 2HB HIS 135 HB1 HIS 135 18.494 -4.073 -4.073 999 HD2 HIS 135 HD2 HIS 135 16.931 -1.661 -1.661 1000 HE1 HIS 135 HE1 HIS 135 13.719 -3.717 -3.717 1001 HE2 HIS 135 HE2 HIS 135 14.819 -1.458 -1.458 1002 H HIS 136 HN HIS 136 15.943 -4.839 -4.839 1003 HA HIS 136 HA HIS 136 15.629 -7.719 -7.719 1004 1HB HIS 136 HB1 HIS 136 13.644 -5.960 -5.960 1005 2HB HIS 136 HB2 HIS 136 13.877 -6.281 -6.281 1006 HD2 HIS 136 HD2 HIS 136 12.970 -8.698 -8.698 1007 HE1 HIS 136 HE1 HIS 136 11.567 -10.062 -10.062 1008 HE2 HIS 136 HE2 HIS 136 11.773 -10.607 -10.607 1009 H ARG 137 HN ARG 137 15.199 -8.990 -8.990 1010 HA ARG 137 HA ARG 137 16.522 -8.040 -8.040 1011 1HB ARG 137 HB1 ARG 137 17.794 -10.214 -10.214 1012 2HB ARG 137 HB2 ARG 137 18.217 -9.889 -9.889 1013 1HG ARG 137 HG2 ARG 137 19.842 -8.694 -8.694 1014 2HG ARG 137 HG1 ARG 137 18.593 -7.450 -7.450 1015 1HD ARG 137 HD2 ARG 137 18.921 -7.229 -7.229 1016 2HD ARG 137 HD1 ARG 137 17.973 -8.709 -8.709 1017 HE ARG 137 HE ARG 137 20.589 -9.499 -9.499 1018 1HH1 ARG 137 HH21 ARG 137 18.804 -7.667 -7.667 1019 2HH1 ARG 137 HH22 ARG 137 19.847 -8.100 -8.100 1020 1HH2 ARG 137 HH11 ARG 137 21.970 -10.073 -10.073 1021 2HH2 ARG 137 HH12 ARG 137 21.647 -9.469 -9.469 1022 H ASP 138 HN ASP 138 16.381 -9.559 -9.559 1023 HA ASP 138 HA ASP 138 13.956 -11.099 -11.099 1024 1HB ASP 138 HB2 ASP 138 15.064 -9.716 -9.716 1025 2HB ASP 138 HB1 ASP 138 15.814 -11.273 -11.273 1026 H ALA 139 HN ALA 139 13.814 -13.363 -13.363 1027 HA ALA 139 HA ALA 139 15.259 -15.104 -15.104 1028 1HB ALA 139 HB2 ALA 139 13.225 -15.444 -15.444 1029 2HB ALA 139 HB1 ALA 139 14.515 -16.088 -16.088 1030 3HB ALA 139 HB3 ALA 139 14.206 -16.795 -16.795 1031 H SER 140 HN SER 140 16.149 -13.593 -13.593 1032 HA SER 140 HA SER 140 18.374 -15.256 -15.256 1033 1HB SER 140 HB1 SER 140 17.975 -14.159 -14.159 1034 2HB SER 140 HB2 SER 140 17.044 -12.919 -12.919 1035 HG SER 140 HG SER 140 19.789 -12.998 -12.998 1036 H GLY 141 HN GLY 141 17.925 -12.188 -12.188 1037 1HA GLY 141 HA1 GLY 141 19.375 -11.757 -11.757 1038 2HA GLY 141 HA2 GLY 141 20.703 -12.409 -12.409 1039 H LEU 142 HN LEU 142 18.234 -10.194 -10.194 1040 HA LEU 142 HA LEU 142 20.341 -8.306 -8.306 1041 1HB LEU 142 HB1 LEU 142 17.416 -8.273 -8.273 1042 2HB LEU 142 HB2 LEU 142 18.669 -7.250 -7.250 1043 HG LEU 142 HG LEU 142 18.523 -10.251 -10.251 1044 1HD1 LEU 142 HD21 LEU 142 16.980 -8.347 -8.347 1045 2HD1 LEU 142 HD23 LEU 142 18.306 -8.614 -8.614 1046 3HD1 LEU 142 HD22 LEU 142 17.319 -9.973 -9.973 1047 1HD2 LEU 142 HD12 LEU 142 20.812 -9.316 -9.316 1048 2HD2 LEU 142 HD11 LEU 142 20.339 -10.002 -10.002 1049 3HD2 LEU 142 HD13 LEU 142 20.343 -8.253 -8.253 1050 H THR 143 HN THR 143 18.958 -5.940 -5.940 1051 HA THR 143 HA THR 143 17.493 -5.254 -5.254 1052 HB THR 143 HB THR 143 19.986 -3.935 -3.935 1053 HG1 THR 143 HG1 THR 143 21.308 -5.519 -5.519 1054 1HG2 THR 143 HG22 THR 143 17.852 -5.179 -5.179 1055 2HG2 THR 143 HG21 THR 143 19.393 -5.776 -5.776 1056 3HG2 THR 143 HG23 THR 143 19.067 -4.043 -4.043 1057 HA PRO 144 HA PRO 144 16.743 -1.359 -1.359 1058 1HB PRO 144 HB1 PRO 144 18.227 -0.093 -0.093 1059 2HB PRO 144 HB2 PRO 144 16.671 0.356 0.356 1060 1HG PRO 144 HG1 PRO 144 16.776 -1.000 -1.000 1061 2HG PRO 144 HG2 PRO 144 15.536 -1.356 -1.356 1062 1HD PRO 144 HD2 PRO 144 17.943 -2.920 -2.920 1063 2HD PRO 144 HD1 PRO 144 16.394 -3.476 -3.476 1064 H LEU 145 HN LEU 145 19.915 -1.129 -1.129 1065 HA LEU 145 HA LEU 145 21.069 0.399 0.399 1066 1HB LEU 145 HB2 LEU 145 21.910 -0.696 -0.696 1067 2HB LEU 145 HB1 LEU 145 23.191 -0.615 -0.615 1068 HG LEU 145 HG LEU 145 21.490 1.714 1.714 1069 1HD1 LEU 145 HD11 LEU 145 23.582 0.501 0.501 1070 2HD1 LEU 145 HD13 LEU 145 24.343 1.853 1.853 1071 3HD1 LEU 145 HD12 LEU 145 22.988 2.143 2.143 1072 1HD2 LEU 145 HD22 LEU 145 23.025 1.343 1.343 1073 2HD2 LEU 145 HD21 LEU 145 22.226 2.808 2.808 1074 3HD2 LEU 145 HD23 LEU 145 23.894 2.475 2.475 1075 H GLU 146 HN GLU 146 21.237 -2.996 -2.996 1076 HA GLU 146 HA GLU 146 23.180 -3.896 -3.896 1077 1HB GLU 146 HB2 GLU 146 22.367 -5.322 -5.322 1078 2HB GLU 146 HB1 GLU 146 20.745 -5.315 -5.315 1079 1HG GLU 146 HG1 GLU 146 21.960 -7.407 -7.407 1080 2HG GLU 146 HG2 GLU 146 21.482 -6.575 -6.575 1081 H LEU 147 HN LEU 147 19.685 -4.453 -4.453 1082 HA LEU 147 HA LEU 147 19.798 -5.119 -5.119 1083 1HB LEU 147 HB2 LEU 147 17.819 -5.288 -5.288 1084 2HB LEU 147 HB1 LEU 147 17.533 -3.588 -3.588 1085 HG LEU 147 HG LEU 147 17.251 -4.114 -4.114 1086 1HD1 LEU 147 HD23 LEU 147 18.157 -6.716 -6.716 1087 2HD1 LEU 147 HD22 LEU 147 16.670 -6.808 -6.808 1088 3HD1 LEU 147 HD21 LEU 147 18.104 -6.048 -6.048 1089 1HD2 LEU 147 HD11 LEU 147 15.324 -3.923 -3.923 1090 2HD2 LEU 147 HD13 LEU 147 15.044 -5.110 -5.110 1091 3HD2 LEU 147 HD12 LEU 147 15.436 -5.646 -5.646 1092 H ALA 148 HN ALA 148 19.604 -1.958 -1.958 1093 HA ALA 148 HA ALA 148 19.087 -0.358 -0.358 1094 1HB ALA 148 HB2 ALA 148 20.638 0.115 0.115 1095 2HB ALA 148 HB1 ALA 148 20.497 1.363 1.363 1096 3HB ALA 148 HB3 ALA 148 19.049 0.727 0.727 1097 H ARG 149 HN ARG 149 22.169 -1.606 -1.606 1098 HA ARG 149 HA ARG 149 23.872 -0.346 -0.346 1099 1HB ARG 149 HB1 ARG 149 24.776 -1.456 -1.456 1100 2HB ARG 149 HB2 ARG 149 24.127 -3.004 -3.004 1101 1HG ARG 149 HG2 ARG 149 26.171 -3.366 -3.366 1102 2HG ARG 149 HG1 ARG 149 25.679 -2.298 -2.298 1103 1HD ARG 149 HD2 ARG 149 26.851 -1.159 -1.159 1104 2HD ARG 149 HD1 ARG 149 27.903 -1.842 -1.842 1105 HE ARG 149 HE ARG 149 26.406 0.619 0.619 1106 1HH1 ARG 149 HH21 ARG 149 28.062 -1.878 -1.878 1107 2HH1 ARG 149 HH22 ARG 149 28.343 -0.886 -0.886 1108 1HH2 ARG 149 HH11 ARG 149 26.773 1.937 1.937 1109 2HH2 ARG 149 HH12 ARG 149 27.611 1.284 1.284 1110 H GLN 150 HN GLN 150 21.663 -2.945 -2.945 1111 HA GLN 150 HA GLN 150 22.783 -4.146 -4.146 1112 1HB GLN 150 HB2 GLN 150 20.694 -4.723 -4.723 1113 2HB GLN 150 HB1 GLN 150 19.902 -4.429 -4.429 1114 1HG GLN 150 HG2 GLN 150 21.473 -6.076 -6.076 1115 2HG GLN 150 HG1 GLN 150 22.034 -6.458 -6.458 1116 1HE2 GLN 150 HE22 GLN 150 19.301 -8.433 -8.433 1117 2HE2 GLN 150 HE21 GLN 150 20.748 -7.643 -7.643 1118 H ARG 151 HN ARG 151 19.631 -2.534 -2.534 1119 HA ARG 151 HA ARG 151 19.738 -1.669 -1.669 1120 1HB ARG 151 HB2 ARG 151 17.809 -0.609 -0.609 1121 2HB ARG 151 HB1 ARG 151 17.557 -0.848 -0.848 1122 1HG ARG 151 HG1 ARG 151 17.655 -2.927 -2.927 1123 2HG ARG 151 HG2 ARG 151 16.306 -2.514 -2.514 1124 1HD ARG 151 HD1 ARG 151 18.788 -3.361 -3.361 1125 2HD ARG 151 HD2 ARG 151 17.958 -4.605 -4.605 1126 HE ARG 151 HE ARG 151 15.953 -3.578 -3.578 1127 1HH1 ARG 151 HH21 ARG 151 19.153 -4.615 -4.615 1128 2HH1 ARG 151 HH22 ARG 151 18.693 -5.089 -5.089 1129 1HH2 ARG 151 HH11 ARG 151 15.335 -4.199 -4.199 1130 2HH2 ARG 151 HH12 ARG 151 16.521 -4.853 -4.853 1131 H GLY 152 HN GLY 152 21.814 -0.552 -0.552 1132 1HA GLY 152 HA1 GLY 152 22.195 1.687 1.687 1133 2HA GLY 152 HA2 GLY 152 23.097 1.330 1.330 1134 H ALA 153 HN ALA 153 19.756 2.300 2.300 1135 HA ALA 153 HA ALA 153 19.542 3.918 3.918 1136 1HB ALA 153 HB2 ALA 153 17.740 2.838 2.838 1137 2HB ALA 153 HB1 ALA 153 17.711 4.534 4.534 1138 3HB ALA 153 HB3 ALA 153 17.365 4.089 4.089 1139 H GLN 154 HN GLN 154 21.023 4.396 4.396 1140 HA GLN 154 HA GLN 154 22.338 6.189 6.189 1141 1HB GLN 154 HB2 GLN 154 22.123 7.030 7.030 1142 2HB GLN 154 HB1 GLN 154 20.730 7.955 7.955 1143 1HG GLN 154 HG2 GLN 154 22.884 9.218 9.218 1144 2HG GLN 154 HG1 GLN 154 22.047 9.266 9.266 1145 1HE2 GLN 154 HE22 GLN 154 25.220 6.698 6.698 1146 2HE2 GLN 154 HE21 GLN 154 24.009 6.674 6.674 1147 H ASN 155 HN ASN 155 18.872 6.585 6.585 1148 HA ASN 155 HA ASN 155 18.563 8.520 8.520 1149 1HB ASN 155 HB1 ASN 155 16.088 7.679 7.679 1150 2HB ASN 155 HB2 ASN 155 16.805 8.593 8.593 1151 1HD2 ASN 155 HD21 ASN 155 17.406 7.515 7.515 1152 2HD2 ASN 155 HD22 ASN 155 16.765 5.960 5.960 1153 H LEU 156 HN LEU 156 17.395 5.146 5.146 1154 HA LEU 156 HA LEU 156 16.732 4.887 4.887 1155 1HB LEU 156 HB1 LEU 156 17.512 2.377 2.377 1156 2HB LEU 156 HB2 LEU 156 16.007 3.054 3.054 1157 HG LEU 156 HG LEU 156 18.297 3.480 3.480 1158 1HD1 LEU 156 HD13 LEU 156 17.843 0.868 0.868 1159 2HD1 LEU 156 HD12 LEU 156 17.540 0.869 0.869 1160 3HD1 LEU 156 HD11 LEU 156 19.099 1.410 1.410 1161 1HD2 LEU 156 HD23 LEU 156 15.595 3.640 3.640 1162 2HD2 LEU 156 HD22 LEU 156 16.688 3.483 3.483 1163 3HD2 LEU 156 HD21 LEU 156 15.897 2.055 2.055 1164 H MET 157 HN MET 157 19.834 3.894 3.894 1165 HA MET 157 HA MET 157 21.111 3.053 3.053 1166 1HB MET 157 HB2 MET 157 21.986 4.185 4.185 1167 2HB MET 157 HB1 MET 157 23.174 4.159 4.159 1168 1HG MET 157 HG2 MET 157 21.638 1.767 1.767 1169 2HG MET 157 HG1 MET 157 23.279 2.183 2.183 1170 1HE MET 157 HE1 MET 157 25.243 2.348 2.348 1171 2HE MET 157 HE3 MET 157 24.611 3.144 3.144 1172 3HE MET 157 HE2 MET 157 25.421 1.584 1.584 1173 H ASP 158 HN ASP 158 20.344 6.259 6.259 1174 HA ASP 158 HA ASP 158 22.099 7.602 7.602 1175 1HB ASP 158 HB1 ASP 158 21.096 8.510 8.510 1176 2HB ASP 158 HB2 ASP 158 19.654 8.836 8.836 1177 H ILE 159 HN ILE 159 18.551 7.756 7.756 1178 HA ILE 159 HA ILE 159 18.163 8.736 8.736 1179 HB ILE 159 HB ILE 159 15.911 7.428 7.428 1180 1HG1 ILE 159 HG11 ILE 159 17.259 6.293 6.293 1181 2HG1 ILE 159 HG12 ILE 159 15.521 6.244 6.244 1182 1HG2 ILE 159 HG23 ILE 159 16.894 9.789 9.789 1183 2HG2 ILE 159 HG22 ILE 159 15.256 9.205 9.205 1184 3HG2 ILE 159 HG21 ILE 159 15.744 9.699 9.699 1185 1HD1 ILE 159 HD11 ILE 159 16.942 8.333 8.333 1186 2HD1 ILE 159 HD13 ILE 159 16.141 6.905 6.905 1187 3HD1 ILE 159 HD12 ILE 159 15.198 8.136 8.136 1188 H LEU 160 HN LEU 160 18.406 5.355 5.355 1189 HA LEU 160 HA LEU 160 17.778 4.321 4.321 1190 1HB LEU 160 HB1 LEU 160 18.992 3.055 3.055 1191 2HB LEU 160 HB2 LEU 160 18.634 2.167 2.167 1192 HG LEU 160 HG LEU 160 16.228 3.049 3.049 1193 1HD1 LEU 160 HD21 LEU 160 16.837 4.700 4.700 1194 2HD1 LEU 160 HD23 LEU 160 17.155 3.349 3.349 1195 3HD1 LEU 160 HD22 LEU 160 15.532 3.609 3.609 1196 1HD2 LEU 160 HD12 LEU 160 17.091 0.703 0.703 1197 2HD2 LEU 160 HD11 LEU 160 15.624 1.139 1.139 1198 3HD2 LEU 160 HD13 LEU 160 17.173 1.103 1.103 1199 H GLN 161 HN GLN 161 20.567 5.704 5.704 1200 HA GLN 161 HA GLN 161 22.514 4.232 4.232 1201 1HB GLN 161 HB1 GLN 161 22.537 6.223 6.223 1202 2HB GLN 161 HB2 GLN 161 23.411 6.884 6.884 1203 1HG GLN 161 HG1 GLN 161 23.984 4.238 4.238 1204 2HG GLN 161 HG2 GLN 161 24.874 5.733 5.733 1205 1HE2 GLN 161 HE22 GLN 161 27.104 4.917 4.917 1206 2HE2 GLN 161 HE21 GLN 161 26.797 5.478 5.478 1207 H GLY 162 HN GLY 162 21.377 7.599 7.599 1208 1HA GLY 162 HA2 GLY 162 22.495 7.953 7.953 1209 2HA GLY 162 HA1 GLY 162 21.320 9.008 9.008 1210 H HIS 163 HN HIS 163 19.150 7.400 7.400 1211 HA HIS 163 HA HIS 163 17.899 7.481 7.481 1212 1HB HIS 163 HB1 HIS 163 17.284 5.959 5.959 1213 2HB HIS 163 HB2 HIS 163 16.258 5.818 5.818 1214 HD2 HIS 163 HD2 HIS 163 15.640 7.405 7.405 1215 HE1 HIS 163 HE1 HIS 163 15.040 10.603 10.603 1216 HE2 HIS 163 HE2 HIS 163 14.781 9.833 9.833 1217 H MET 164 HN MET 164 20.100 5.180 5.180 1218 HA MET 164 HA MET 164 19.289 3.115 3.115 1219 1HB MET 164 HB2 MET 164 21.137 3.210 3.210 1220 2HB MET 164 HB1 MET 164 21.364 1.964 1.964 1221 1HG MET 164 HG2 MET 164 18.612 2.290 2.290 1222 2HG MET 164 HG1 MET 164 19.781 1.704 1.704 1223 1HE MET 164 HE2 MET 164 21.761 0.331 0.331 1224 2HE MET 164 HE1 MET 164 21.428 -1.083 -1.083 1225 3HE MET 164 HE3 MET 164 21.053 -1.112 -1.112 1226 H MET 165 HN MET 165 20.359 2.673 2.673 1227 HA MET 165 HA MET 165 22.362 4.526 4.526 1228 1HB MET 165 HB2 MET 165 20.786 3.826 3.826 1229 2HB MET 165 HB1 MET 165 21.037 2.128 2.128 1230 1HG MET 165 HG1 MET 165 23.535 3.195 3.195 1231 2HG MET 165 HG2 MET 165 22.339 3.738 3.738 1232 1HE MET 165 HE2 MET 165 20.295 1.949 1.949 1233 2HE MET 165 HE1 MET 165 20.537 0.417 0.417 1234 3HE MET 165 HE3 MET 165 20.658 0.489 0.489 1235 H ILE 166 HN ILE 166 23.897 3.925 3.925 1236 HA ILE 166 HA ILE 166 25.136 1.641 1.641 1237 HB ILE 166 HB ILE 166 27.383 3.045 3.045 1238 1HG1 ILE 166 HG12 ILE 166 27.000 5.428 5.428 1239 2HG1 ILE 166 HG11 ILE 166 25.255 5.193 5.193 1240 1HG2 ILE 166 HG22 ILE 166 25.532 2.540 2.540 1241 2HG2 ILE 166 HG21 ILE 166 25.791 4.283 4.283 1242 3HG2 ILE 166 HG23 ILE 166 27.162 3.182 3.182 1243 1HD1 ILE 166 HD12 ILE 166 25.465 4.255 4.255 1244 2HD1 ILE 166 HD11 ILE 166 27.196 4.589 4.589 1245 3HD1 ILE 166 HD13 ILE 166 26.039 5.919 5.919 1246 HA PRO 167 HA PRO 167 25.951 0.174 0.174 1247 1HB PRO 167 HB2 PRO 167 26.623 -2.205 -2.205 1248 2HB PRO 167 HB1 PRO 167 25.644 -2.096 -2.096 1249 1HG PRO 167 HG2 PRO 167 24.492 -2.407 -2.407 1250 2HG PRO 167 HG1 PRO 167 23.769 -1.354 -1.354 1251 1HD PRO 167 HD1 PRO 167 25.310 -0.625 -0.625 1252 2HD PRO 167 HD2 PRO 167 23.916 0.188 0.188 1253 H MET 168 HN MET 168 27.829 0.962 0.962 1254 HA MET 168 HA MET 168 30.312 -0.121 -0.121 1255 1HB MET 168 HB1 MET 168 29.457 2.665 2.665 1256 2HB MET 168 HB2 MET 168 31.010 2.464 2.464 1257 1HG MET 168 HG2 MET 168 31.925 1.372 1.372 1258 2HG MET 168 HG1 MET 168 30.352 1.377 1.377 1259 1HE MET 168 HE2 MET 168 32.900 2.101 2.101 1260 2HE MET 168 HE1 MET 168 31.881 2.991 2.991 1261 3HE MET 168 HE3 MET 168 33.227 3.803 3.803 Start of MODEL 15 1 1H GLY 1 HT2 GLY 1 -32.207 -15.950 -15.950 2 2H GLY 1 HT1 GLY 1 -33.824 -16.369 -16.369 3 3H GLY 1 HT3 GLY 1 -32.673 -16.629 -16.629 4 1HA GLY 1 HA2 GLY 1 -33.171 -14.663 -14.663 5 2HA GLY 1 HA1 GLY 1 -34.226 -14.327 -14.327 6 H SER 2 HN SER 2 -30.705 -14.669 -14.669 7 HA SER 2 HA SER 2 -30.080 -11.981 -11.981 8 1HB SER 2 HB2 SER 2 -30.540 -13.561 -13.561 9 2HB SER 2 HB1 SER 2 -28.964 -12.770 -12.770 10 HG SER 2 HG SER 2 -30.122 -11.141 -11.141 11 H MET 3 HN MET 3 -27.901 -11.576 -11.576 12 HA MET 3 HA MET 3 -26.203 -13.951 -13.951 13 1HB MET 3 HB2 MET 3 -26.230 -11.343 -11.343 14 2HB MET 3 HB1 MET 3 -24.987 -12.573 -12.573 15 1HG MET 3 HG2 MET 3 -27.856 -13.294 -13.294 16 2HG MET 3 HG1 MET 3 -26.973 -12.468 -12.468 17 1HE MET 3 HE3 MET 3 -26.589 -13.618 -13.618 18 2HE MET 3 HE2 MET 3 -24.879 -13.995 -13.995 19 3HE MET 3 HE1 MET 3 -26.020 -15.274 -15.274 20 H LEU 4 HN LEU 4 -26.673 -11.209 -11.209 21 HA LEU 4 HA LEU 4 -23.815 -11.049 -11.049 22 1HB LEU 4 HB1 LEU 4 -25.981 -8.974 -8.974 23 2HB LEU 4 HB2 LEU 4 -24.330 -8.798 -8.798 24 HG LEU 4 HG LEU 4 -23.789 -9.267 -9.267 25 1HD1 LEU 4 HD11 LEU 4 -26.658 -8.513 -8.513 26 2HD1 LEU 4 HD13 LEU 4 -25.647 -7.811 -7.811 27 3HD1 LEU 4 HD12 LEU 4 -25.789 -9.563 -9.563 28 1HD2 LEU 4 HD21 LEU 4 -24.608 -6.699 -6.699 29 2HD2 LEU 4 HD23 LEU 4 -22.985 -7.314 -7.314 30 3HD2 LEU 4 HD22 LEU 4 -23.983 -6.742 -6.742 31 H LEU 5 HN LEU 5 -23.283 -10.764 -10.764 32 HA LEU 5 HA LEU 5 -25.243 -12.065 -12.065 33 1HB LEU 5 HB2 LEU 5 -22.296 -11.770 -11.770 34 2HB LEU 5 HB1 LEU 5 -23.429 -12.860 -12.860 35 HG LEU 5 HG LEU 5 -22.415 -13.049 -13.049 36 1HD1 LEU 5 HD11 LEU 5 -21.212 -13.856 -13.856 37 2HD1 LEU 5 HD13 LEU 5 -22.067 -15.308 -15.308 38 3HD1 LEU 5 HD12 LEU 5 -20.912 -14.532 -14.532 39 1HD2 LEU 5 HD21 LEU 5 -24.811 -14.084 -14.084 40 2HD2 LEU 5 HD23 LEU 5 -24.266 -14.179 -14.179 41 3HD2 LEU 5 HD22 LEU 5 -23.747 -15.395 -15.395 42 H GLU 6 HN GLU 6 -23.921 -11.378 -11.378 43 HA GLU 6 HA GLU 6 -23.397 -8.709 -8.709 44 1HB GLU 6 HB2 GLU 6 -25.991 -8.890 -8.890 45 2HB GLU 6 HB1 GLU 6 -26.186 -8.930 -8.930 46 1HG GLU 6 HG2 GLU 6 -25.555 -6.785 -6.785 47 2HG GLU 6 HG1 GLU 6 -24.369 -6.862 -6.862 48 H GLU 7 HN GLU 7 -22.371 -10.876 -10.876 49 HA GLU 7 HA GLU 7 -23.612 -11.162 -11.162 50 1HB GLU 7 HB2 GLU 7 -21.249 -12.793 -12.793 51 2HB GLU 7 HB1 GLU 7 -22.658 -13.238 -13.238 52 1HG GLU 7 HG2 GLU 7 -22.166 -14.021 -14.021 53 2HG GLU 7 HG1 GLU 7 -23.742 -14.035 -14.035 54 H VAL 8 HN VAL 8 -21.810 -8.947 -8.947 55 HA VAL 8 HA VAL 8 -19.650 -9.061 -9.061 56 HB VAL 8 HB VAL 8 -18.600 -7.236 -7.236 57 1HG1 VAL 8 HG22 VAL 8 -18.097 -9.545 -9.545 58 2HG1 VAL 8 HG21 VAL 8 -19.432 -9.530 -9.530 59 3HG1 VAL 8 HG23 VAL 8 -18.037 -8.480 -8.480 60 1HG2 VAL 8 HG11 VAL 8 -20.807 -6.280 -6.280 61 2HG2 VAL 8 HG13 VAL 8 -19.501 -6.305 -6.305 62 3HG2 VAL 8 HG12 VAL 8 -20.783 -7.513 -7.513 63 H CYS 9 HN CYS 9 -22.479 -7.257 -7.257 64 HA CYS 9 HA CYS 9 -23.644 -5.564 -5.564 65 1HB CYS 9 HB1 CYS 9 -22.271 -5.958 -5.958 66 2HB CYS 9 HB2 CYS 9 -23.981 -5.735 -5.735 67 HG CYS 9 HG CYS 9 -23.383 -8.395 -8.395 68 H VAL 10 HN VAL 10 -23.393 -3.418 -3.418 69 HA VAL 10 HA VAL 10 -22.359 -1.393 -1.393 70 HB VAL 10 HB VAL 10 -20.351 -1.736 -1.736 71 1HG1 VAL 10 HG12 VAL 10 -21.380 0.389 0.389 72 2HG1 VAL 10 HG11 VAL 10 -22.885 -0.106 -0.106 73 3HG1 VAL 10 HG13 VAL 10 -21.439 0.168 0.168 74 1HG2 VAL 10 HG23 VAL 10 -23.075 -2.840 -2.840 75 2HG2 VAL 10 HG22 VAL 10 -21.509 -3.394 -3.394 76 3HG2 VAL 10 HG21 VAL 10 -22.261 -1.960 -1.960 77 H GLY 11 HN GLY 11 -21.115 -3.871 -3.871 78 1HA GLY 11 HA1 GLY 11 -18.291 -3.267 -3.267 79 2HA GLY 11 HA2 GLY 11 -19.125 -4.507 -4.507 80 H ASP 12 HN ASP 12 -20.795 -3.413 -3.413 81 HA ASP 12 HA ASP 12 -19.229 -2.078 -2.078 82 1HB ASP 12 HB1 ASP 12 -21.190 -3.515 -3.515 83 2HB ASP 12 HB2 ASP 12 -21.257 -1.942 -1.942 84 H ARG 13 HN ARG 13 -20.737 -0.907 -0.907 85 HA ARG 13 HA ARG 13 -21.104 1.783 1.783 86 1HB ARG 13 HB1 ARG 13 -22.921 0.837 0.837 87 2HB ARG 13 HB2 ARG 13 -21.809 0.686 0.686 88 1HG ARG 13 HG2 ARG 13 -21.945 2.863 2.863 89 2HG ARG 13 HG1 ARG 13 -21.992 3.375 3.375 90 1HD ARG 13 HD2 ARG 13 -24.268 2.296 2.296 91 2HD ARG 13 HD1 ARG 13 -24.091 3.928 3.928 92 HE ARG 13 HE ARG 13 -24.985 1.583 1.583 93 1HH1 ARG 13 HH21 ARG 13 -23.689 4.806 4.806 94 2HH1 ARG 13 HH22 ARG 13 -24.270 5.058 5.058 95 1HH2 ARG 13 HH11 ARG 13 -25.757 1.905 1.905 96 2HH2 ARG 13 HH12 ARG 13 -25.446 3.410 3.410 97 H LEU 14 HN LEU 14 -19.871 0.562 0.562 98 HA LEU 14 HA LEU 14 -18.123 2.791 2.791 99 1HB LEU 14 HB1 LEU 14 -19.008 1.769 1.769 100 2HB LEU 14 HB2 LEU 14 -18.434 0.185 0.185 101 HG LEU 14 HG LEU 14 -17.187 1.561 1.561 102 1HD1 LEU 14 HD13 LEU 14 -16.583 -0.617 -0.617 103 2HD1 LEU 14 HD12 LEU 14 -15.253 0.447 0.447 104 3HD1 LEU 14 HD11 LEU 14 -15.529 0.054 0.054 105 1HD2 LEU 14 HD21 LEU 14 -16.943 3.483 3.483 106 2HD2 LEU 14 HD23 LEU 14 -15.566 3.065 3.065 107 3HD2 LEU 14 HD22 LEU 14 -15.623 2.514 2.514 108 H SER 15 HN SER 15 -17.399 -0.692 -0.692 109 HA SER 15 HA SER 15 -14.657 -0.437 -0.437 110 1HB SER 15 HB2 SER 15 -16.072 -2.563 -2.563 111 2HB SER 15 HB1 SER 15 -16.270 -2.574 -2.574 112 HG SER 15 HG SER 15 -13.793 -2.309 -2.309 113 H GLY 16 HN GLY 16 -17.261 0.133 0.133 114 1HA GLY 16 HA2 GLY 16 -15.727 -0.065 -0.065 115 2HA GLY 16 HA1 GLY 16 -17.310 0.678 0.678 116 H ALA 17 HN ALA 17 -16.913 2.729 2.729 117 HA ALA 17 HA ALA 17 -15.569 4.628 4.628 118 1HB ALA 17 HB1 ALA 17 -16.902 4.835 4.835 119 2HB ALA 17 HB3 ALA 17 -16.143 6.212 6.212 120 3HB ALA 17 HB2 ALA 17 -17.502 5.389 5.389 121 H ALA 18 HN ALA 18 -14.924 3.313 3.313 122 HA ALA 18 HA ALA 18 -12.678 4.781 4.781 123 1HB ALA 18 HB1 ALA 18 -14.041 2.719 2.719 124 2HB ALA 18 HB3 ALA 18 -12.498 1.960 1.960 125 3HB ALA 18 HB2 ALA 18 -12.540 3.409 3.409 126 H ALA 19 HN ALA 19 -12.929 1.885 1.885 127 HA ALA 19 HA ALA 19 -10.113 1.575 1.575 128 1HB ALA 19 HB3 ALA 19 -11.883 -0.223 -0.223 129 2HB ALA 19 HB2 ALA 19 -12.223 0.471 0.471 130 3HB ALA 19 HB1 ALA 19 -10.622 -0.181 -0.181 131 H ARG 20 HN ARG 20 -12.698 3.049 3.049 132 HA ARG 20 HA ARG 20 -11.157 3.629 3.629 133 1HB ARG 20 HB2 ARG 20 -12.978 4.822 4.822 134 2HB ARG 20 HB1 ARG 20 -13.740 3.766 3.766 135 1HG ARG 20 HG1 ARG 20 -14.617 5.575 5.575 136 2HG ARG 20 HG2 ARG 20 -12.993 6.016 6.016 137 1HD ARG 20 HD1 ARG 20 -13.050 7.798 7.798 138 2HD ARG 20 HD2 ARG 20 -13.237 6.749 6.749 139 HE ARG 20 HE ARG 20 -15.714 7.150 7.150 140 1HH1 ARG 20 HH11 ARG 20 -13.447 8.649 8.649 141 2HH1 ARG 20 HH12 ARG 20 -14.640 9.643 9.643 142 1HH2 ARG 20 HH21 ARG 20 -17.295 8.457 8.457 143 2HH2 ARG 20 HH22 ARG 20 -16.829 9.535 9.535 144 H GLY 21 HN GLY 21 -11.263 5.070 5.070 145 1HA GLY 21 HA1 GLY 21 -9.870 6.663 6.663 146 2HA GLY 21 HA2 GLY 21 -9.068 6.797 6.797 147 H ASP 22 HN ASP 22 -12.304 7.534 7.534 148 HA ASP 22 HA ASP 22 -12.196 10.094 10.094 149 1HB ASP 22 HB2 ASP 22 -14.149 9.245 9.245 150 2HB ASP 22 HB1 ASP 22 -14.786 9.862 9.862 151 H VAL 23 HN VAL 23 -11.082 11.269 11.269 152 HA VAL 23 HA VAL 23 -11.512 11.256 11.256 153 HB VAL 23 HB VAL 23 -9.663 12.497 12.497 154 1HG1 VAL 23 HG13 VAL 23 -10.813 13.173 13.173 155 2HG1 VAL 23 HG12 VAL 23 -11.637 14.437 14.437 156 3HG1 VAL 23 HG11 VAL 23 -9.881 14.466 14.466 157 1HG2 VAL 23 HG21 VAL 23 -11.004 13.302 13.302 158 2HG2 VAL 23 HG23 VAL 23 -9.684 14.275 14.275 159 3HG2 VAL 23 HG22 VAL 23 -11.355 14.700 14.700 160 H GLN 24 HN GLN 24 -13.487 12.483 12.483 161 HA GLN 24 HA GLN 24 -15.055 14.263 14.263 162 1HB GLN 24 HB1 GLN 24 -15.647 13.019 13.019 163 2HB GLN 24 HB2 GLN 24 -16.570 14.318 14.318 164 1HG GLN 24 HG1 GLN 24 -14.809 15.851 15.851 165 2HG GLN 24 HG2 GLN 24 -13.637 14.576 14.576 166 1HE2 GLN 24 HE22 GLN 24 -16.155 15.885 15.885 167 2HE2 GLN 24 HE21 GLN 24 -16.547 16.117 16.117 168 H GLU 25 HN GLU 25 -15.815 11.153 11.153 169 HA GLU 25 HA GLU 25 -18.203 10.788 10.788 170 1HB GLU 25 HB2 GLU 25 -16.767 8.594 8.594 171 2HB GLU 25 HB1 GLU 25 -18.493 8.790 8.790 172 1HG GLU 25 HG2 GLU 25 -16.785 10.505 10.505 173 2HG GLU 25 HG1 GLU 25 -17.875 9.222 9.222 174 H VAL 26 HN VAL 26 -14.869 9.838 9.838 175 HA VAL 26 HA VAL 26 -15.113 7.658 7.658 176 HB VAL 26 HB VAL 26 -12.969 8.775 8.775 177 1HG1 VAL 26 HG13 VAL 26 -13.351 10.969 10.969 178 2HG1 VAL 26 HG12 VAL 26 -13.214 10.242 10.242 179 3HG1 VAL 26 HG11 VAL 26 -11.822 10.261 10.261 180 1HG2 VAL 26 HG23 VAL 26 -13.447 6.922 6.922 181 2HG2 VAL 26 HG22 VAL 26 -11.882 7.270 7.270 182 3HG2 VAL 26 HG21 VAL 26 -12.339 8.053 8.053 183 H ARG 27 HN ARG 27 -15.021 11.096 11.096 184 HA ARG 27 HA ARG 27 -15.572 10.522 10.522 185 1HB ARG 27 HB2 ARG 27 -16.066 13.214 13.214 186 2HB ARG 27 HB1 ARG 27 -15.407 12.806 12.806 187 1HG ARG 27 HG1 ARG 27 -13.338 12.029 12.029 188 2HG ARG 27 HG2 ARG 27 -14.003 12.593 12.593 189 1HD ARG 27 HD2 ARG 27 -12.763 14.419 14.419 190 2HD ARG 27 HD1 ARG 27 -14.316 14.835 14.835 191 HE ARG 27 HE ARG 27 -12.577 13.396 13.396 192 1HH1 ARG 27 HH11 ARG 27 -13.420 16.535 16.535 193 2HH1 ARG 27 HH12 ARG 27 -12.810 17.390 17.390 194 1HH2 ARG 27 HH21 ARG 27 -11.772 14.512 14.512 195 2HH2 ARG 27 HH22 ARG 27 -11.875 16.240 16.240 196 H ARG 28 HN ARG 28 -17.449 11.954 11.954 197 HA ARG 28 HA ARG 28 -19.846 12.372 12.372 198 1HB ARG 28 HB2 ARG 28 -18.918 12.364 12.364 199 2HB ARG 28 HB1 ARG 28 -20.398 11.416 11.416 200 1HG ARG 28 HG1 ARG 28 -21.539 13.303 13.303 201 2HG ARG 28 HG2 ARG 28 -20.918 13.697 13.697 202 1HD ARG 28 HD2 ARG 28 -19.025 14.838 14.838 203 2HD ARG 28 HD1 ARG 28 -19.513 14.345 14.345 204 HE ARG 28 HE ARG 28 -21.644 15.747 15.747 205 1HH1 ARG 28 HH11 ARG 28 -18.307 16.364 16.364 206 2HH1 ARG 28 HH12 ARG 28 -18.560 18.043 18.043 207 1HH2 ARG 28 HH21 ARG 28 -21.991 17.956 17.956 208 2HH2 ARG 28 HH22 ARG 28 -20.657 18.949 18.949 209 H LEU 29 HN LEU 29 -18.562 9.409 9.409 210 HA LEU 29 HA LEU 29 -20.970 7.923 7.923 211 1HB LEU 29 HB1 LEU 29 -18.141 7.254 7.254 212 2HB LEU 29 HB2 LEU 29 -19.224 5.964 5.964 213 HG LEU 29 HG LEU 29 -20.034 7.834 7.834 214 1HD1 LEU 29 HD12 LEU 29 -17.670 6.815 6.815 215 2HD1 LEU 29 HD11 LEU 29 -18.552 5.312 5.312 216 3HD1 LEU 29 HD13 LEU 29 -18.851 6.712 6.712 217 1HD2 LEU 29 HD23 LEU 29 -20.908 5.280 5.280 218 2HD2 LEU 29 HD22 LEU 29 -21.817 6.501 6.501 219 3HD2 LEU 29 HD21 LEU 29 -20.847 5.314 5.314 220 H LEU 30 HN LEU 30 -17.851 7.208 7.208 221 HA LEU 30 HA LEU 30 -19.184 5.909 5.909 222 1HB LEU 30 HB2 LEU 30 -17.207 4.908 4.908 223 2HB LEU 30 HB1 LEU 30 -16.529 6.119 6.119 224 HG LEU 30 HG LEU 30 -16.234 7.543 7.543 225 1HD1 LEU 30 HD21 LEU 30 -17.621 5.469 5.469 226 2HD1 LEU 30 HD23 LEU 30 -15.949 5.139 5.139 227 3HD1 LEU 30 HD22 LEU 30 -16.680 6.693 6.693 228 1HD2 LEU 30 HD13 LEU 30 -14.394 6.510 6.510 229 2HD2 LEU 30 HD12 LEU 30 -14.090 6.505 6.505 230 3HD2 LEU 30 HD11 LEU 30 -14.605 5.025 5.025 231 H HIS 31 HN HIS 31 -17.537 9.037 9.037 232 HA HIS 31 HA HIS 31 -17.829 9.710 9.710 233 1HB HIS 31 HB2 HIS 31 -16.350 10.710 10.710 234 2HB HIS 31 HB1 HIS 31 -17.561 11.965 11.965 235 HD2 HIS 31 HD2 HIS 31 -14.586 12.770 12.770 236 HE1 HIS 31 HE1 HIS 31 -15.763 12.061 12.061 237 HE2 HIS 31 HE2 HIS 31 -14.130 13.287 13.287 238 H ARG 32 HN ARG 32 -20.141 9.389 9.389 239 HA ARG 32 HA ARG 32 -21.913 11.244 11.244 240 1HB ARG 32 HB2 ARG 32 -21.011 11.734 11.734 241 2HB ARG 32 HB1 ARG 32 -22.600 11.022 11.022 242 1HG ARG 32 HG2 ARG 32 -22.416 13.129 13.129 243 2HG ARG 32 HG1 ARG 32 -22.194 13.638 13.638 244 1HD ARG 32 HD1 ARG 32 -24.347 12.075 12.075 245 2HD ARG 32 HD2 ARG 32 -24.598 12.586 12.586 246 HE ARG 32 HE ARG 32 -24.010 14.852 14.852 247 1HH1 ARG 32 HH21 ARG 32 -26.515 12.454 12.454 248 2HH1 ARG 32 HH22 ARG 32 -27.779 13.518 13.518 249 1HH2 ARG 32 HH11 ARG 32 -25.668 16.263 16.263 250 2HH2 ARG 32 HH12 ARG 32 -27.298 15.683 15.683 251 H GLU 33 HN GLU 33 -22.123 8.879 8.879 252 HA GLU 33 HA GLU 33 -24.687 7.966 7.966 253 1HB GLU 33 HB1 GLU 33 -23.845 7.604 7.604 254 2HB GLU 33 HB2 GLU 33 -22.524 6.628 6.628 255 1HG GLU 33 HG1 GLU 33 -24.788 5.381 5.381 256 2HG GLU 33 HG2 GLU 33 -25.220 5.863 5.863 257 H LEU 34 HN LEU 34 -21.723 7.484 7.484 258 HA LEU 34 HA LEU 34 -20.974 6.108 6.108 259 1HB LEU 34 HB1 LEU 34 -23.466 6.944 6.944 260 2HB LEU 34 HB2 LEU 34 -23.667 5.203 5.203 261 HG LEU 34 HG LEU 34 -21.524 5.249 5.249 262 1HD1 LEU 34 HD22 LEU 34 -22.027 8.073 8.073 263 2HD1 LEU 34 HD21 LEU 34 -21.967 7.654 7.654 264 3HD1 LEU 34 HD23 LEU 34 -20.606 7.265 7.265 265 1HD2 LEU 34 HD11 LEU 34 -24.247 5.299 5.299 266 2HD2 LEU 34 HD13 LEU 34 -22.950 4.824 4.824 267 3HD2 LEU 34 HD12 LEU 34 -23.544 6.486 6.486 268 H VAL 35 HN VAL 35 -20.252 4.701 4.701 269 HA VAL 35 HA VAL 35 -21.762 2.213 2.213 270 HB VAL 35 HB VAL 35 -19.962 1.758 1.758 271 1HG1 VAL 35 HG12 VAL 35 -22.199 3.734 3.734 272 2HG1 VAL 35 HG11 VAL 35 -21.240 3.276 3.276 273 3HG1 VAL 35 HG13 VAL 35 -22.151 2.053 2.053 274 1HG2 VAL 35 HG23 VAL 35 -18.858 4.044 4.044 275 2HG2 VAL 35 HG22 VAL 35 -18.542 3.368 3.368 276 3HG2 VAL 35 HG21 VAL 35 -19.748 4.641 4.641 277 H HIS 36 HN HIS 36 -20.693 0.179 0.179 278 HA HIS 36 HA HIS 36 -18.875 0.119 0.119 279 1HB HIS 36 HB1 HIS 36 -20.747 -1.618 -1.618 280 2HB HIS 36 HB2 HIS 36 -19.252 -2.378 -2.378 281 HD2 HIS 36 HD2 HIS 36 -21.399 -2.054 -2.054 282 HE1 HIS 36 HE1 HIS 36 -17.689 -3.706 -3.706 283 HE2 HIS 36 HE2 HIS 36 -20.115 -3.359 -3.359 284 HA PRO 37 HA PRO 37 -15.190 0.248 0.248 285 1HB PRO 37 HB1 PRO 37 -13.409 -0.022 -0.022 286 2HB PRO 37 HB2 PRO 37 -14.306 1.477 1.477 287 1HG PRO 37 HG1 PRO 37 -14.825 -0.719 -0.719 288 2HG PRO 37 HG2 PRO 37 -14.890 1.037 1.037 289 1HD PRO 37 HD2 PRO 37 -17.105 -0.500 -0.500 290 2HD PRO 37 HD1 PRO 37 -17.001 1.204 1.204 291 H ASP 38 HN ASP 38 -16.545 -2.396 -2.396 292 HA ASP 38 HA ASP 38 -14.315 -4.160 -4.160 293 1HB ASP 38 HB1 ASP 38 -16.522 -5.293 -5.293 294 2HB ASP 38 HB2 ASP 38 -15.556 -4.063 -4.063 295 H ALA 39 HN ALA 39 -15.641 -3.346 -3.346 296 HA ALA 39 HA ALA 39 -17.695 -5.360 -5.360 297 1HB ALA 39 HB3 ALA 39 -17.295 -2.598 -2.598 298 2HB ALA 39 HB2 ALA 39 -17.562 -3.649 -3.649 299 3HB ALA 39 HB1 ALA 39 -18.746 -3.598 -3.598 300 H LEU 40 HN LEU 40 -17.645 -5.914 -5.914 301 HA LEU 40 HA LEU 40 -14.910 -6.392 -6.392 302 1HB LEU 40 HB1 LEU 40 -16.941 -8.496 -8.496 303 2HB LEU 40 HB2 LEU 40 -15.749 -8.781 -8.781 304 HG LEU 40 HG LEU 40 -14.108 -7.996 -7.996 305 1HD1 LEU 40 HD22 LEU 40 -16.643 -8.518 -8.518 306 2HD1 LEU 40 HD21 LEU 40 -15.384 -9.602 -9.602 307 3HD1 LEU 40 HD23 LEU 40 -15.155 -7.856 -7.856 308 1HD2 LEU 40 HD12 LEU 40 -14.713 -10.347 -10.347 309 2HD2 LEU 40 HD11 LEU 40 -13.329 -10.062 -10.062 310 3HD2 LEU 40 HD13 LEU 40 -14.801 -10.781 -10.781 311 H ASN 41 HN ASN 41 -15.282 -7.870 -7.870 312 HA ASN 41 HA ASN 41 -17.513 -6.846 -6.846 313 1HB ASN 41 HB2 ASN 41 -16.018 -5.941 -5.941 314 2HB ASN 41 HB1 ASN 41 -15.927 -5.039 -5.039 315 1HD2 ASN 41 HD22 ASN 41 -12.536 -5.808 -5.808 316 2HD2 ASN 41 HD21 ASN 41 -13.998 -5.217 -5.217 317 H ARG 42 HN ARG 42 -17.464 -7.744 -7.744 318 HA ARG 42 HA ARG 42 -17.594 -10.403 -10.403 319 1HB ARG 42 HB2 ARG 42 -16.758 -10.153 -10.153 320 2HB ARG 42 HB1 ARG 42 -18.239 -9.347 -9.347 321 1HG ARG 42 HG1 ARG 42 -17.054 -7.775 -7.775 322 2HG ARG 42 HG2 ARG 42 -16.824 -7.290 -7.290 323 1HD ARG 42 HD2 ARG 42 -14.614 -7.647 -7.647 324 2HD ARG 42 HD1 ARG 42 -14.794 -9.149 -9.149 325 HE ARG 42 HE ARG 42 -15.337 -6.953 -6.953 326 1HH1 ARG 42 HH11 ARG 42 -12.697 -8.558 -8.558 327 2HH1 ARG 42 HH12 ARG 42 -11.516 -8.062 -8.062 328 1HH2 ARG 42 HH21 ARG 42 -13.791 -6.292 -6.292 329 2HH2 ARG 42 HH22 ARG 42 -12.138 -6.773 -6.773 330 H PHE 43 HN PHE 43 -14.617 -8.572 -8.572 331 HA PHE 43 HA PHE 43 -12.900 -10.683 -10.683 332 1HB PHE 43 HB2 PHE 43 -12.592 -7.993 -7.993 333 2HB PHE 43 HB1 PHE 43 -11.739 -8.675 -8.675 334 HD1 PHE 43 HD1 PHE 43 -10.629 -11.144 -11.144 335 HD2 PHE 43 HD2 PHE 43 -10.896 -7.190 -7.190 336 HE1 PHE 43 HE1 PHE 43 -8.666 -11.582 -11.582 337 HE2 PHE 43 HE2 PHE 43 -8.934 -7.621 -7.621 338 HZ PHE 43 HZ PHE 43 -7.817 -9.825 -9.825 339 H GLY 44 HN GLY 44 -13.800 -9.387 -9.387 340 1HA GLY 44 HA2 GLY 44 -14.220 -10.955 -10.955 341 2HA GLY 44 HA1 GLY 44 -12.931 -11.957 -11.957 342 H LYS 45 HN LYS 45 -12.295 -8.607 -8.607 343 HA LYS 45 HA LYS 45 -10.429 -8.956 -8.956 344 1HB LYS 45 HB1 LYS 45 -10.458 -6.708 -6.708 345 2HB LYS 45 HB2 LYS 45 -9.156 -7.151 -7.151 346 1HG LYS 45 HG2 LYS 45 -8.561 -9.010 -9.010 347 2HG LYS 45 HG1 LYS 45 -10.124 -9.079 -9.079 348 1HD LYS 45 HD2 LYS 45 -9.108 -8.043 -8.043 349 2HD LYS 45 HD1 LYS 45 -9.170 -6.594 -6.594 350 1HE LYS 45 HE1 LYS 45 -6.961 -6.869 -6.869 351 2HE LYS 45 HE2 LYS 45 -6.906 -8.552 -8.552 352 1HZ LYS 45 HZ3 LYS 45 -7.407 -7.233 -7.233 353 2HZ LYS 45 HZ2 LYS 45 -6.392 -6.145 -6.145 354 3HZ LYS 45 HZ1 LYS 45 -5.874 -7.729 -7.729 355 H THR 46 HN THR 46 -10.005 -6.895 -6.895 356 HA THR 46 HA THR 46 -12.553 -5.958 -5.958 357 HB THR 46 HB THR 46 -10.321 -4.712 -4.712 358 HG1 THR 46 HG1 THR 46 -9.330 -6.709 -6.709 359 1HG2 THR 46 HG21 THR 46 -12.553 -6.468 -6.468 360 2HG2 THR 46 HG23 THR 46 -11.122 -6.633 -6.633 361 3HG2 THR 46 HG22 THR 46 -11.897 -5.060 -5.060 362 H ALA 47 HN ALA 47 -12.689 -3.590 -3.590 363 HA ALA 47 HA ALA 47 -12.641 -1.990 -1.990 364 1HB ALA 47 HB2 ALA 47 -14.102 -1.676 -1.676 365 2HB ALA 47 HB1 ALA 47 -12.707 -0.964 -0.964 366 3HB ALA 47 HB3 ALA 47 -13.373 -0.201 -0.201 367 H LEU 48 HN LEU 48 -10.589 -1.792 -1.792 368 HA LEU 48 HA LEU 48 -8.866 0.190 0.190 369 1HB LEU 48 HB2 LEU 48 -9.211 -1.132 -1.132 370 2HB LEU 48 HB1 LEU 48 -7.591 -1.568 -1.568 371 HG LEU 48 HG LEU 48 -8.667 1.216 1.216 372 1HD1 LEU 48 HD11 LEU 48 -6.548 -0.411 -0.411 373 2HD1 LEU 48 HD13 LEU 48 -6.878 1.294 1.294 374 3HD1 LEU 48 HD12 LEU 48 -8.110 0.080 0.080 375 1HD2 LEU 48 HD21 LEU 48 -7.055 0.847 0.847 376 2HD2 LEU 48 HD23 LEU 48 -6.701 2.126 2.126 377 3HD2 LEU 48 HD22 LEU 48 -5.836 0.593 0.593 378 H GLN 49 HN GLN 49 -8.788 -3.325 -3.325 379 HA GLN 49 HA GLN 49 -6.188 -3.780 -3.780 380 1HB GLN 49 HB2 GLN 49 -7.670 -5.607 -5.607 381 2HB GLN 49 HB1 GLN 49 -8.720 -5.226 -5.226 382 1HG GLN 49 HG2 GLN 49 -7.490 -7.068 -7.068 383 2HG GLN 49 HG1 GLN 49 -6.704 -5.690 -5.690 384 1HE2 GLN 49 HE22 GLN 49 -4.804 -7.705 -7.705 385 2HE2 GLN 49 HE21 GLN 49 -6.526 -7.734 -7.734 386 H VAL 50 HN VAL 50 -8.979 -3.701 -3.701 387 HA VAL 50 HA VAL 50 -7.348 -3.352 -3.352 388 HB VAL 50 HB VAL 50 -9.538 -4.408 -4.408 389 1HG1 VAL 50 HG21 VAL 50 -10.463 -2.660 -2.660 390 2HG1 VAL 50 HG23 VAL 50 -10.953 -1.810 -1.810 391 3HG1 VAL 50 HG22 VAL 50 -11.526 -3.451 -3.451 392 1HG2 VAL 50 HG11 VAL 50 -8.515 -3.132 -3.132 393 2HG2 VAL 50 HG13 VAL 50 -10.257 -3.389 -3.389 394 3HG2 VAL 50 HG12 VAL 50 -9.623 -1.817 -1.817 395 H MET 51 HN MET 51 -8.802 -1.186 -1.186 396 HA MET 51 HA MET 51 -9.266 1.147 1.147 397 1HB MET 51 HB2 MET 51 -9.268 0.912 0.912 398 2HB MET 51 HB1 MET 51 -7.513 0.800 0.800 399 1HG MET 51 HG1 MET 51 -8.102 3.178 3.178 400 2HG MET 51 HG2 MET 51 -9.196 3.122 3.122 401 1HE MET 51 HE3 MET 51 -5.731 1.381 1.381 402 2HE MET 51 HE2 MET 51 -5.384 2.838 2.838 403 3HE MET 51 HE1 MET 51 -4.643 2.607 2.607 404 H MET 52 HN MET 52 -8.283 1.934 1.934 405 HA MET 52 HA MET 52 -5.538 1.598 1.598 406 1HB MET 52 HB1 MET 52 -5.965 2.729 2.729 407 2HB MET 52 HB2 MET 52 -7.568 2.137 2.137 408 1HG MET 52 HG1 MET 52 -8.133 4.312 4.312 409 2HG MET 52 HG2 MET 52 -6.523 4.905 4.905 410 1HE MET 52 HE1 MET 52 -7.397 6.847 6.847 411 2HE MET 52 HE3 MET 52 -6.304 6.412 6.412 412 3HE MET 52 HE2 MET 52 -7.947 6.942 6.942 413 H PHE 53 HN PHE 53 -3.792 2.882 2.882 414 HA PHE 53 HA PHE 53 -4.046 4.941 4.941 415 1HB PHE 53 HB2 PHE 53 -1.617 3.857 3.857 416 2HB PHE 53 HB1 PHE 53 -1.564 5.013 5.013 417 HD1 PHE 53 HD1 PHE 53 -2.954 1.642 1.642 418 HD2 PHE 53 HD2 PHE 53 -1.244 4.217 4.217 419 HE1 PHE 53 HE1 PHE 53 -2.938 -0.219 -0.219 420 HE2 PHE 53 HE2 PHE 53 -1.226 2.357 2.357 421 HZ PHE 53 HZ PHE 53 -2.074 0.139 0.139 422 H GLY 54 HN GLY 54 -5.409 5.801 5.801 423 1HA GLY 54 HA1 GLY 54 -3.702 7.498 7.498 424 2HA GLY 54 HA2 GLY 54 -5.448 7.345 7.345 425 H SER 55 HN SER 55 -6.605 8.168 8.168 426 HA SER 55 HA SER 55 -5.575 10.869 10.869 427 1HB SER 55 HB1 SER 55 -8.316 9.841 9.841 428 2HB SER 55 HB2 SER 55 -7.792 11.516 11.516 429 HG SER 55 HG SER 55 -8.883 9.996 9.996 430 HA PRO 56 HA PRO 56 -4.031 9.391 9.391 431 1HB PRO 56 HB1 PRO 56 -4.026 12.352 12.352 432 2HB PRO 56 HB2 PRO 56 -2.760 11.171 11.171 433 1HG PRO 56 HG1 PRO 56 -2.611 12.751 12.751 434 2HG PRO 56 HG2 PRO 56 -2.086 11.059 11.059 435 1HD PRO 56 HD1 PRO 56 -4.552 12.324 12.324 436 2HD PRO 56 HD2 PRO 56 -3.602 10.960 10.960 437 H ALA 57 HN ALA 57 -6.680 11.548 11.548 438 HA ALA 57 HA ALA 57 -7.661 11.859 11.859 439 1HB ALA 57 HB1 ALA 57 -8.309 12.911 12.911 440 2HB ALA 57 HB3 ALA 57 -9.673 11.830 11.830 441 3HB ALA 57 HB2 ALA 57 -9.283 13.079 13.079 442 H VAL 58 HN VAL 58 -8.428 9.432 9.432 443 HA VAL 58 HA VAL 58 -10.499 8.189 8.189 444 HB VAL 58 HB VAL 58 -10.323 7.650 7.650 445 1HG1 VAL 58 HG21 VAL 58 -7.461 7.255 7.255 446 2HG1 VAL 58 HG23 VAL 58 -8.157 6.206 6.206 447 3HG1 VAL 58 HG22 VAL 58 -8.229 7.958 7.958 448 1HG2 VAL 58 HG12 VAL 58 -10.862 5.791 5.791 449 2HG2 VAL 58 HG11 VAL 58 -10.440 5.316 5.316 450 3HG2 VAL 58 HG13 VAL 58 -9.247 5.177 5.177 451 H ALA 59 HN ALA 59 -7.008 7.766 7.766 452 HA ALA 59 HA ALA 59 -6.956 5.418 5.418 453 1HB ALA 59 HB1 ALA 59 -4.998 7.550 7.550 454 2HB ALA 59 HB3 ALA 59 -4.628 6.479 6.479 455 3HB ALA 59 HB2 ALA 59 -4.904 5.809 5.809 456 H LEU 60 HN LEU 60 -6.648 8.835 8.835 457 HA LEU 60 HA LEU 60 -6.504 8.414 8.414 458 1HB LEU 60 HB1 LEU 60 -5.941 10.521 10.521 459 2HB LEU 60 HB2 LEU 60 -7.659 10.861 10.861 460 HG LEU 60 HG LEU 60 -6.252 10.366 10.366 461 1HD1 LEU 60 HD12 LEU 60 -5.553 12.444 12.444 462 2HD1 LEU 60 HD11 LEU 60 -6.330 13.143 13.143 463 3HD1 LEU 60 HD13 LEU 60 -4.909 12.115 12.115 464 1HD2 LEU 60 HD23 LEU 60 -8.843 11.110 11.110 465 2HD2 LEU 60 HD22 LEU 60 -8.217 10.977 10.977 466 3HD2 LEU 60 HD21 LEU 60 -8.127 12.516 12.516 467 H GLU 61 HN GLU 61 -9.245 9.181 9.181 468 HA GLU 61 HA GLU 61 -11.198 9.348 9.348 469 1HB GLU 61 HB2 GLU 61 -11.147 9.745 9.745 470 2HB GLU 61 HB1 GLU 61 -12.127 8.292 8.292 471 1HG GLU 61 HG1 GLU 61 -12.666 10.799 10.799 472 2HG GLU 61 HG2 GLU 61 -13.388 10.453 10.453 473 H LEU 62 HN LEU 62 -10.237 6.610 6.610 474 HA LEU 62 HA LEU 62 -12.113 4.781 4.781 475 1HB LEU 62 HB1 LEU 62 -9.570 4.583 4.583 476 2HB LEU 62 HB2 LEU 62 -10.165 3.125 3.125 477 HG LEU 62 HG LEU 62 -11.632 4.793 4.793 478 1HD1 LEU 62 HD11 LEU 62 -9.675 2.882 2.882 479 2HD1 LEU 62 HD13 LEU 62 -11.179 1.984 1.984 480 3HD1 LEU 62 HD12 LEU 62 -10.859 3.408 3.408 481 1HD2 LEU 62 HD21 LEU 62 -12.485 2.464 2.464 482 2HD2 LEU 62 HD23 LEU 62 -13.330 3.980 3.980 483 3HD2 LEU 62 HD22 LEU 62 -13.205 2.763 2.763 484 H LEU 63 HN LEU 63 -8.626 5.030 5.030 485 HA LEU 63 HA LEU 63 -8.687 3.205 3.205 486 1HB LEU 63 HB2 LEU 63 -6.755 4.766 4.766 487 2HB LEU 63 HB1 LEU 63 -6.626 5.169 5.169 488 HG LEU 63 HG LEU 63 -6.777 2.284 2.284 489 1HD1 LEU 63 HD12 LEU 63 -4.445 3.954 3.954 490 2HD1 LEU 63 HD11 LEU 63 -4.366 2.213 2.213 491 3HD1 LEU 63 HD13 LEU 63 -5.434 2.865 2.865 492 1HD2 LEU 63 HD23 LEU 63 -6.205 3.728 3.728 493 2HD2 LEU 63 HD22 LEU 63 -5.553 2.114 2.114 494 3HD2 LEU 63 HD21 LEU 63 -4.576 3.535 3.535 495 H LYS 64 HN LYS 64 -9.416 6.606 6.606 496 HA LYS 64 HA LYS 64 -9.124 7.263 7.263 497 1HB LYS 64 HB2 LYS 64 -9.332 9.056 9.056 498 2HB LYS 64 HB1 LYS 64 -10.830 8.419 8.419 499 1HG LYS 64 HG1 LYS 64 -12.099 9.271 9.271 500 2HG LYS 64 HG2 LYS 64 -10.818 9.112 9.112 501 1HD LYS 64 HD2 LYS 64 -10.926 11.400 11.400 502 2HD LYS 64 HD1 LYS 64 -9.652 10.975 10.975 503 1HE LYS 64 HE2 LYS 64 -11.384 10.919 10.919 504 2HE LYS 64 HE1 LYS 64 -12.549 11.534 11.534 505 1HZ LYS 64 HZ1 LYS 64 -10.185 13.117 13.117 506 2HZ LYS 64 HZ3 LYS 64 -10.876 13.024 13.024 507 3HZ LYS 64 HZ2 LYS 64 -11.793 13.586 13.586 508 H GLN 65 HN GLN 65 -11.427 5.317 5.317 509 HA GLN 65 HA GLN 65 -13.572 5.708 5.708 510 1HB GLN 65 HB1 GLN 65 -13.387 4.620 4.620 511 2HB GLN 65 HB2 GLN 65 -13.564 3.191 3.191 512 1HG GLN 65 HG2 GLN 65 -15.454 5.475 5.475 513 2HG GLN 65 HG1 GLN 65 -15.742 3.745 3.745 514 1HE2 GLN 65 HE22 GLN 65 -15.988 3.190 3.190 515 2HE2 GLN 65 HE21 GLN 65 -15.244 2.516 2.516 516 H GLY 66 HN GLY 66 -11.695 2.760 2.760 517 1HA GLY 66 HA2 GLY 66 -10.604 2.157 2.157 518 2HA GLY 66 HA1 GLY 66 -12.283 1.697 1.697 519 H ALA 67 HN ALA 67 -10.418 1.424 1.424 520 HA ALA 67 HA ALA 67 -11.149 -1.351 -1.351 521 1HB ALA 67 HB3 ALA 67 -11.039 0.244 0.244 522 2HB ALA 67 HB2 ALA 67 -9.282 0.213 0.213 523 3HB ALA 67 HB1 ALA 67 -10.160 -1.265 -1.265 524 H SER 68 HN SER 68 -8.840 -2.336 -2.336 525 HA SER 68 HA SER 68 -6.911 -2.476 -2.476 526 1HB SER 68 HB2 SER 68 -8.025 -4.699 -4.699 527 2HB SER 68 HB1 SER 68 -6.527 -4.878 -4.878 528 HG SER 68 HG SER 68 -8.793 -5.414 -5.414 529 HA PRO 69 HA PRO 69 -4.123 -1.219 -1.219 530 1HB PRO 69 HB1 PRO 69 -1.899 -1.058 -1.058 531 2HB PRO 69 HB2 PRO 69 -3.194 0.142 0.142 532 1HG PRO 69 HG1 PRO 69 -2.618 -2.192 -2.192 533 2HG PRO 69 HG2 PRO 69 -3.072 -0.534 -0.534 534 1HD PRO 69 HD1 PRO 69 -4.845 -2.607 -2.607 535 2HD PRO 69 HD2 PRO 69 -5.309 -0.922 -0.922 536 H ASN 70 HN ASN 70 -3.933 -4.080 -4.080 537 HA ASN 70 HA ASN 70 -1.942 -5.217 -5.217 538 1HB ASN 70 HB1 ASN 70 -2.575 -6.508 -6.508 539 2HB ASN 70 HB2 ASN 70 -1.075 -6.526 -6.526 540 1HD2 ASN 70 HD22 ASN 70 -0.638 -4.412 -4.412 541 2HD2 ASN 70 HD21 ASN 70 -1.094 -6.052 -6.052 542 H VAL 71 HN VAL 71 -3.755 -5.575 -5.575 543 HA VAL 71 HA VAL 71 -5.339 -7.947 -7.947 544 HB VAL 71 HB VAL 71 -7.104 -7.244 -7.244 545 1HG1 VAL 71 HG12 VAL 71 -7.067 -6.165 -6.165 546 2HG1 VAL 71 HG11 VAL 71 -6.100 -4.845 -4.845 547 3HG1 VAL 71 HG13 VAL 71 -7.754 -5.091 -5.091 548 1HG2 VAL 71 HG22 VAL 71 -5.057 -5.866 -5.866 549 2HG2 VAL 71 HG21 VAL 71 -6.742 -6.087 -6.087 550 3HG2 VAL 71 HG23 VAL 71 -6.270 -4.678 -4.678 551 H GLN 72 HN GLN 72 -5.684 -9.544 -9.544 552 HA GLN 72 HA GLN 72 -3.930 -9.381 -9.381 553 1HB GLN 72 HB2 GLN 72 -4.169 -11.936 -11.936 554 2HB GLN 72 HB1 GLN 72 -2.950 -11.475 -11.475 555 1HG GLN 72 HG2 GLN 72 -1.978 -9.908 -9.908 556 2HG GLN 72 HG1 GLN 72 -3.254 -10.234 -10.234 557 1HE2 GLN 72 HE22 GLN 72 0.006 -12.242 -12.242 558 2HE2 GLN 72 HE21 GLN 72 -0.217 -10.628 -10.628 559 H ASP 73 HN ASP 73 -4.473 -10.956 -10.956 560 HA ASP 73 HA ASP 73 -7.334 -11.661 -11.661 561 1HB ASP 73 HB2 ASP 73 -5.633 -10.811 -10.811 562 2HB ASP 73 HB1 ASP 73 -6.908 -9.866 -9.866 563 H ALA 74 HN ALA 74 -6.289 -13.649 -13.649 564 HA ALA 74 HA ALA 74 -5.382 -15.769 -15.769 565 1HB ALA 74 HB2 ALA 74 -7.626 -15.518 -15.518 566 2HB ALA 74 HB1 ALA 74 -6.681 -17.006 -17.006 567 3HB ALA 74 HB3 ALA 74 -7.485 -16.504 -16.504 568 H SER 75 HN SER 75 -3.640 -13.979 -13.979 569 HA SER 75 HA SER 75 -2.349 -15.774 -15.774 570 1HB SER 75 HB1 SER 75 -3.098 -12.943 -12.943 571 2HB SER 75 HB2 SER 75 -2.008 -13.979 -13.979 572 HG SER 75 HG SER 75 -3.847 -14.472 -14.472 573 H GLY 76 HN GLY 76 -2.266 -12.644 -12.644 574 1HA GLY 76 HA1 GLY 76 -0.457 -12.268 -12.268 575 2HA GLY 76 HA2 GLY 76 0.614 -13.100 -13.100 576 H THR 77 HN THR 77 -1.557 -10.276 -10.276 577 HA THR 77 HA THR 77 0.526 -8.517 -8.517 578 HB THR 77 HB THR 77 -1.188 -7.910 -7.910 579 HG1 THR 77 HG1 THR 77 -2.243 -9.996 -9.996 580 1HG2 THR 77 HG22 THR 77 1.350 -9.409 -9.409 581 2HG2 THR 77 HG21 THR 77 0.444 -9.506 -9.506 582 3HG2 THR 77 HG23 THR 77 0.946 -7.937 -7.937 583 H SER 78 HN SER 78 0.086 -7.002 -7.002 584 HA SER 78 HA SER 78 -2.692 -6.158 -6.158 585 1HB SER 78 HB2 SER 78 -0.750 -4.849 -4.849 586 2HB SER 78 HB1 SER 78 -2.144 -5.837 -5.837 587 HG SER 78 HG SER 78 0.522 -6.581 -6.581 588 HA PRO 79 HA PRO 79 -2.564 -2.160 -2.160 589 1HB PRO 79 HB1 PRO 79 -2.440 -0.911 -0.911 590 2HB PRO 79 HB2 PRO 79 -3.534 -0.571 -0.571 591 1HG PRO 79 HG1 PRO 79 -4.362 -1.987 -1.987 592 2HG PRO 79 HG2 PRO 79 -4.871 -2.415 -2.415 593 1HD PRO 79 HD2 PRO 79 -2.872 -3.738 -3.738 594 2HD PRO 79 HD1 PRO 79 -3.971 -4.453 -4.453 595 H VAL 80 HN VAL 80 -0.401 -2.413 -2.413 596 HA VAL 80 HA VAL 80 1.376 -0.379 -0.379 597 HB VAL 80 HB VAL 80 2.901 -1.371 -1.371 598 1HG1 VAL 80 HG23 VAL 80 0.294 -0.784 -0.784 599 2HG1 VAL 80 HG22 VAL 80 0.558 -2.347 -2.347 600 3HG1 VAL 80 HG21 VAL 80 1.620 -0.990 -0.990 601 1HG2 VAL 80 HG11 VAL 80 2.733 -3.669 -3.669 602 2HG2 VAL 80 HG13 VAL 80 2.843 -3.622 -3.622 603 3HG2 VAL 80 HG12 VAL 80 1.287 -3.906 -3.906 604 H HIS 81 HN HIS 81 1.170 -3.713 -3.713 605 HA HIS 81 HA HIS 81 3.724 -3.814 -3.814 606 1HB HIS 81 HB2 HIS 81 1.221 -5.468 -5.468 607 2HB HIS 81 HB1 HIS 81 2.635 -5.773 -5.773 608 HD2 HIS 81 HD2 HIS 81 4.559 -7.285 -7.285 609 HE1 HIS 81 HE1 HIS 81 2.979 -7.231 -7.231 610 HE2 HIS 81 HE2 HIS 81 4.653 -8.330 -8.330 611 H ASP 82 HN ASP 82 0.479 -3.690 -3.690 612 HA ASP 82 HA ASP 82 1.285 -3.189 -3.189 613 1HB ASP 82 HB1 ASP 82 -1.169 -3.186 -3.186 614 2HB ASP 82 HB2 ASP 82 -1.113 -1.713 -1.713 615 H ALA 83 HN ALA 83 0.486 -0.827 -0.827 616 HA ALA 83 HA ALA 83 0.776 1.510 1.510 617 1HB ALA 83 HB3 ALA 83 0.272 0.928 0.928 618 2HB ALA 83 HB2 ALA 83 1.896 1.605 1.605 619 3HB ALA 83 HB1 ALA 83 0.599 2.551 2.551 620 H ALA 84 HN ALA 84 3.225 -0.676 -0.676 621 HA ALA 84 HA ALA 84 5.430 1.114 1.114 622 1HB ALA 84 HB3 ALA 84 5.399 -0.981 -0.981 623 2HB ALA 84 HB2 ALA 84 5.515 -1.893 -1.893 624 3HB ALA 84 HB1 ALA 84 6.816 -0.799 -0.799 625 H ARG 85 HN ARG 85 4.565 -1.701 -1.701 626 HA ARG 85 HA ARG 85 6.313 -0.900 -0.900 627 1HB ARG 85 HB2 ARG 85 4.058 -2.852 -2.852 628 2HB ARG 85 HB1 ARG 85 5.636 -2.844 -2.844 629 1HG ARG 85 HG2 ARG 85 6.601 -3.284 -3.284 630 2HG ARG 85 HG1 ARG 85 4.945 -3.634 -3.634 631 1HD ARG 85 HD2 ARG 85 5.537 -5.735 -5.735 632 2HD ARG 85 HD1 ARG 85 5.050 -5.153 -5.153 633 HE ARG 85 HE ARG 85 7.844 -4.785 -4.785 634 1HH1 ARG 85 HH21 ARG 85 5.441 -6.764 -6.764 635 2HH1 ARG 85 HH22 ARG 85 6.582 -7.575 -7.575 636 1HH2 ARG 85 HH11 ARG 85 9.356 -5.845 -5.845 637 2HH2 ARG 85 HH12 ARG 85 8.809 -7.052 -7.052 638 H THR 86 HN THR 86 2.951 -0.340 -0.340 639 HA THR 86 HA THR 86 2.143 0.404 0.404 640 HB THR 86 HB THR 86 0.175 1.391 1.391 641 HG1 THR 86 HG1 THR 86 1.585 1.964 1.964 642 1HG2 THR 86 HG23 THR 86 1.061 -1.349 -1.349 643 2HG2 THR 86 HG22 THR 86 -0.422 -0.691 -0.691 644 3HG2 THR 86 HG21 THR 86 -0.255 -0.836 -0.836 645 H GLY 87 HN GLY 87 4.273 1.868 1.868 646 1HA GLY 87 HA1 GLY 87 5.154 3.986 3.986 647 2HA GLY 87 HA2 GLY 87 4.757 4.098 4.098 648 H PHE 88 HN PHE 88 3.417 4.541 4.541 649 HA PHE 88 HA PHE 88 2.037 6.925 6.925 650 1HB PHE 88 HB2 PHE 88 0.647 4.420 4.420 651 2HB PHE 88 HB1 PHE 88 -0.031 5.947 5.947 652 HD1 PHE 88 HD2 PHE 88 -0.394 7.764 7.764 653 HD2 PHE 88 HD1 PHE 88 0.051 3.598 3.598 654 HE1 PHE 88 HE2 PHE 88 -1.508 8.066 8.066 655 HE2 PHE 88 HE1 PHE 88 -1.061 3.892 3.892 656 HZ PHE 88 HZ PHE 88 -1.842 6.128 6.128 657 H LEU 89 HN LEU 89 4.118 7.140 7.140 658 HA LEU 89 HA LEU 89 4.002 6.746 6.746 659 1HB LEU 89 HB1 LEU 89 5.779 7.886 7.886 660 2HB LEU 89 HB2 LEU 89 5.159 9.318 9.318 661 HG LEU 89 HG LEU 89 7.269 8.172 8.172 662 1HD1 LEU 89 HD11 LEU 89 5.966 9.988 9.988 663 2HD1 LEU 89 HD13 LEU 89 4.991 8.759 8.759 664 3HD1 LEU 89 HD12 LEU 89 6.716 8.879 8.879 665 1HD2 LEU 89 HD22 LEU 89 5.904 5.924 5.924 666 2HD2 LEU 89 HD21 LEU 89 7.086 6.264 6.264 667 3HD2 LEU 89 HD23 LEU 89 5.367 6.499 6.499 668 H ASP 90 HN ASP 90 2.215 8.987 8.987 669 HA ASP 90 HA ASP 90 1.628 10.933 10.933 670 1HB ASP 90 HB1 ASP 90 0.930 11.702 11.702 671 2HB ASP 90 HB2 ASP 90 -0.600 11.043 11.043 672 H THR 91 HN THR 91 -0.736 8.575 8.575 673 HA THR 91 HA THR 91 -2.289 8.718 8.718 674 HB THR 91 HB THR 91 -2.403 6.667 6.667 675 HG1 THR 91 HG1 THR 91 -2.777 8.614 8.614 676 1HG2 THR 91 HG22 THR 91 -3.654 5.989 5.989 677 2HG2 THR 91 HG21 THR 91 -4.548 7.507 7.507 678 3HG2 THR 91 HG23 THR 91 -4.707 6.335 6.335 679 H LEU 92 HN LEU 92 0.431 6.896 6.896 680 HA LEU 92 HA LEU 92 0.040 4.596 4.596 681 1HB LEU 92 HB2 LEU 92 1.604 4.460 4.460 682 2HB LEU 92 HB1 LEU 92 2.485 5.863 5.863 683 HG LEU 92 HG LEU 92 2.334 3.320 3.320 684 1HD1 LEU 92 HD12 LEU 92 3.253 2.914 2.914 685 2HD1 LEU 92 HD11 LEU 92 4.537 4.060 4.060 686 3HD1 LEU 92 HD13 LEU 92 4.368 2.575 2.575 687 1HD2 LEU 92 HD22 LEU 92 3.739 5.902 5.902 688 2HD2 LEU 92 HD21 LEU 92 3.227 4.790 4.790 689 3HD2 LEU 92 HD23 LEU 92 4.705 4.471 4.471 690 H LYS 93 HN LYS 93 2.086 7.480 7.480 691 HA LYS 93 HA LYS 93 2.969 6.889 6.889 692 1HB LYS 93 HB1 LYS 93 3.868 8.998 8.998 693 2HB LYS 93 HB2 LYS 93 3.601 8.809 8.809 694 1HG LYS 93 HG1 LYS 93 1.224 9.877 9.877 695 2HG LYS 93 HG2 LYS 93 2.455 10.710 10.710 696 1HD LYS 93 HD1 LYS 93 2.232 10.557 10.557 697 2HD LYS 93 HD2 LYS 93 2.094 11.990 11.990 698 1HE LYS 93 HE2 LYS 93 4.609 10.379 10.379 699 2HE LYS 93 HE1 LYS 93 4.314 11.500 11.500 700 1HZ LYS 93 HZ2 LYS 93 4.140 12.323 12.323 701 2HZ LYS 93 HZ1 LYS 93 5.584 12.398 12.398 702 3HZ LYS 93 HZ3 LYS 93 4.247 13.312 13.312 703 H VAL 94 HN VAL 94 -0.073 8.216 8.216 704 HA VAL 94 HA VAL 94 -0.977 9.331 9.331 705 HB VAL 94 HB VAL 94 -2.625 7.995 7.995 706 1HG1 VAL 94 HG22 VAL 94 -3.382 9.830 9.830 707 2HG1 VAL 94 HG21 VAL 94 -4.423 9.519 9.519 708 3HG1 VAL 94 HG23 VAL 94 -3.970 8.198 8.198 709 1HG2 VAL 94 HG11 VAL 94 -1.246 10.572 10.572 710 2HG2 VAL 94 HG13 VAL 94 -1.840 9.689 9.689 711 3HG2 VAL 94 HG12 VAL 94 -2.944 10.689 10.689 712 H LEU 95 HN LEU 95 -1.878 6.152 6.152 713 HA LEU 95 HA LEU 95 -2.935 5.237 5.237 714 1HB LEU 95 HB1 LEU 95 -3.135 3.061 3.061 715 2HB LEU 95 HB2 LEU 95 -3.839 4.376 4.376 716 HG LEU 95 HG LEU 95 -1.184 4.155 4.155 717 1HD1 LEU 95 HD21 LEU 95 -1.845 1.730 1.730 718 2HD1 LEU 95 HD23 LEU 95 -2.200 1.497 1.497 719 3HD1 LEU 95 HD22 LEU 95 -0.590 2.011 2.011 720 1HD2 LEU 95 HD13 LEU 95 -3.640 4.501 4.501 721 2HD2 LEU 95 HD12 LEU 95 -2.191 4.157 4.157 722 3HD2 LEU 95 HD11 LEU 95 -3.292 2.850 2.850 723 H VAL 96 HN VAL 96 0.132 5.106 5.106 724 HA VAL 96 HA VAL 96 1.263 3.012 3.012 725 HB VAL 96 HB VAL 96 2.421 5.071 5.071 726 1HG1 VAL 96 HG13 VAL 96 3.820 3.590 3.590 727 2HG1 VAL 96 HG12 VAL 96 4.495 3.344 3.344 728 3HG1 VAL 96 HG11 VAL 96 4.348 4.976 4.976 729 1HG2 VAL 96 HG21 VAL 96 2.007 2.103 2.103 730 2HG2 VAL 96 HG23 VAL 96 1.466 3.319 3.319 731 3HG2 VAL 96 HG22 VAL 96 3.171 2.880 2.880 732 H GLU 97 HN GLU 97 1.431 6.557 6.557 733 HA GLU 97 HA GLU 97 3.208 6.691 6.691 734 1HB GLU 97 HB2 GLU 97 2.791 9.024 9.024 735 2HB GLU 97 HB1 GLU 97 2.721 8.535 8.535 736 1HG GLU 97 HG1 GLU 97 0.877 10.070 10.070 737 2HG GLU 97 HG2 GLU 97 0.587 9.148 9.148 738 H HIS 98 HN HIS 98 -0.241 6.335 6.335 739 HA HIS 98 HA HIS 98 -1.026 7.186 7.186 740 1HB HIS 98 HB2 HIS 98 -2.175 5.268 5.268 741 2HB HIS 98 HB1 HIS 98 -2.905 5.411 5.411 742 HD2 HIS 98 HD2 HIS 98 -3.922 6.594 6.594 743 HE1 HIS 98 HE1 HIS 98 -4.145 10.105 10.105 744 HE2 HIS 98 HE2 HIS 98 -4.715 9.061 9.061 745 H GLY 99 HN GLY 99 0.486 4.233 4.233 746 1HA GLY 99 HA2 GLY 99 1.805 3.165 3.165 747 2HA GLY 99 HA1 GLY 99 0.299 3.184 3.184 748 H ALA 100 HN ALA 100 1.007 2.303 2.303 749 HA ALA 100 HA ALA 100 -0.459 -0.193 -0.193 750 1HB ALA 100 HB2 ALA 100 0.346 1.364 1.364 751 2HB ALA 100 HB1 ALA 100 -0.155 -0.323 -0.323 752 3HB ALA 100 HB3 ALA 100 -1.265 0.878 0.878 753 H ASP 101 HN ASP 101 0.412 -2.210 -2.210 754 HA ASP 101 HA ASP 101 3.079 -2.645 -2.645 755 1HB ASP 101 HB2 ASP 101 2.546 -4.960 -4.960 756 2HB ASP 101 HB1 ASP 101 0.902 -4.329 -4.329 757 H VAL 102 HN VAL 102 4.322 -1.257 -1.257 758 HA VAL 102 HA VAL 102 4.402 -1.802 -1.802 759 HB VAL 102 HB VAL 102 5.924 0.040 0.040 760 1HG1 VAL 102 HG12 VAL 102 3.389 0.351 0.351 761 2HG1 VAL 102 HG11 VAL 102 4.080 1.079 1.079 762 3HG1 VAL 102 HG13 VAL 102 4.471 1.736 1.736 763 1HG2 VAL 102 HG22 VAL 102 6.198 -0.298 -0.298 764 2HG2 VAL 102 HG21 VAL 102 7.451 -0.139 -0.139 765 3HG2 VAL 102 HG23 VAL 102 6.508 1.270 1.270 766 H ASN 103 HN ASN 103 5.461 -3.553 -3.553 767 HA ASN 103 HA ASN 103 8.038 -4.171 -4.171 768 1HB ASN 103 HB1 ASN 103 7.712 -4.953 -4.953 769 2HB ASN 103 HB2 ASN 103 9.122 -4.312 -4.312 770 1HD2 ASN 103 HD22 ASN 103 7.548 -1.914 -1.914 771 2HD2 ASN 103 HD21 ASN 103 7.821 -3.618 -3.618 772 H ALA 104 HN ALA 104 5.550 -5.288 -5.288 773 HA ALA 104 HA ALA 104 5.717 -8.021 -8.021 774 1HB ALA 104 HB2 ALA 104 3.461 -6.608 -6.608 775 2HB ALA 104 HB1 ALA 104 3.444 -8.314 -8.314 776 3HB ALA 104 HB3 ALA 104 3.532 -7.077 -7.077 777 H LEU 105 HN LEU 105 5.893 -9.781 -9.781 778 HA LEU 105 HA LEU 105 6.516 -9.157 -9.157 779 1HB LEU 105 HB1 LEU 105 7.746 -11.577 -11.577 780 2HB LEU 105 HB2 LEU 105 8.432 -10.336 -10.336 781 HG LEU 105 HG LEU 105 8.183 -10.294 -10.294 782 1HD1 LEU 105 HD11 LEU 105 10.403 -10.587 -10.587 783 2HD1 LEU 105 HD13 LEU 105 10.720 -9.765 -9.765 784 3HD1 LEU 105 HD12 LEU 105 10.124 -11.425 -11.425 785 1HD2 LEU 105 HD22 LEU 105 8.144 -8.090 -8.090 786 2HD2 LEU 105 HD21 LEU 105 8.071 -8.080 -8.080 787 3HD2 LEU 105 HD23 LEU 105 9.634 -8.061 -8.061 788 H ASP 106 HN ASP 106 5.848 -10.625 -10.625 789 HA ASP 106 HA ASP 106 4.452 -13.024 -13.024 790 1HB ASP 106 HB1 ASP 106 2.338 -12.375 -12.375 791 2HB ASP 106 HB2 ASP 106 2.966 -10.742 -10.742 792 H SER 107 HN SER 107 4.885 -10.717 -10.717 793 HA SER 107 HA SER 107 4.602 -12.399 -12.399 794 1HB SER 107 HB2 SER 107 6.775 -10.759 -10.759 795 2HB SER 107 HB1 SER 107 5.067 -10.436 -10.436 796 HG SER 107 HG SER 107 6.381 -9.790 -9.790 797 H THR 108 HN THR 108 7.644 -11.716 -11.716 798 HA THR 108 HA THR 108 8.554 -14.410 -14.410 799 HB THR 108 HB THR 108 10.729 -13.291 -13.291 800 HG1 THR 108 HG1 THR 108 9.973 -11.923 -11.923 801 1HG2 THR 108 HG22 THR 108 8.651 -15.024 -15.024 802 2HG2 THR 108 HG21 THR 108 9.019 -13.916 -13.916 803 3HG2 THR 108 HG23 THR 108 10.300 -14.897 -14.897 804 H GLY 109 HN GLY 109 8.218 -13.360 -13.360 805 1HA GLY 109 HA2 GLY 109 9.182 -12.456 -12.456 806 2HA GLY 109 HA1 GLY 109 10.454 -13.584 -13.584 807 H SER 110 HN SER 110 9.360 -10.449 -10.449 808 HA SER 110 HA SER 110 12.048 -9.383 -9.383 809 1HB SER 110 HB2 SER 110 10.521 -9.062 -9.062 810 2HB SER 110 HB1 SER 110 12.069 -8.311 -8.311 811 HG SER 110 HG SER 110 12.312 -10.904 -10.904 812 H LEU 111 HN LEU 111 11.749 -7.778 -7.778 813 HA LEU 111 HA LEU 111 9.575 -6.471 -6.471 814 1HB LEU 111 HB2 LEU 111 12.163 -6.101 -6.101 815 2HB LEU 111 HB1 LEU 111 11.911 -4.720 -4.720 816 HG LEU 111 HG LEU 111 10.282 -3.786 -3.786 817 1HD1 LEU 111 HD22 LEU 111 10.572 -6.381 -6.381 818 2HD1 LEU 111 HD21 LEU 111 9.829 -4.940 -4.940 819 3HD1 LEU 111 HD23 LEU 111 9.115 -5.703 -5.703 820 1HD2 LEU 111 HD12 LEU 111 12.929 -3.939 -3.939 821 2HD2 LEU 111 HD11 LEU 111 11.785 -2.987 -2.987 822 3HD2 LEU 111 HD13 LEU 111 12.260 -4.594 -4.594 823 HA PRO 112 HA PRO 112 7.440 -4.384 -4.384 824 1HB PRO 112 HB2 PRO 112 7.337 -2.162 -2.162 825 2HB PRO 112 HB1 PRO 112 6.035 -2.863 -2.863 826 1HG PRO 112 HG1 PRO 112 6.293 -3.484 -3.484 827 2HG PRO 112 HG2 PRO 112 5.818 -4.711 -4.711 828 1HD PRO 112 HD2 PRO 112 8.422 -4.325 -4.325 829 2HD PRO 112 HD1 PRO 112 7.654 -5.820 -5.820 830 H ILE 113 HN ILE 113 9.997 -2.741 -2.741 831 HA ILE 113 HA ILE 113 10.377 -0.606 -0.606 832 HB ILE 113 HB ILE 113 11.289 -0.298 -0.298 833 1HG1 ILE 113 HG11 ILE 113 13.846 -0.947 -0.947 834 2HG1 ILE 113 HG12 ILE 113 12.763 0.204 0.204 835 1HG2 ILE 113 HG22 ILE 113 12.483 -3.005 -3.005 836 2HG2 ILE 113 HG21 ILE 113 13.203 -1.887 -1.887 837 3HG2 ILE 113 HG23 ILE 113 11.525 -2.396 -2.396 838 1HD1 ILE 113 HD13 ILE 113 13.609 0.517 0.517 839 2HD1 ILE 113 HD12 ILE 113 14.577 1.130 1.130 840 3HD1 ILE 113 HD11 ILE 113 12.936 1.726 1.726 841 H HIS 114 HN HIS 114 11.731 -3.850 -3.850 842 HA HIS 114 HA HIS 114 13.794 -3.592 -3.592 843 1HB HIS 114 HB1 HIS 114 12.130 -5.960 -5.960 844 2HB HIS 114 HB2 HIS 114 13.451 -6.105 -6.105 845 HD2 HIS 114 HD2 HIS 114 15.966 -6.146 -6.146 846 HE1 HIS 114 HE1 HIS 114 14.770 -5.589 -5.589 847 HE2 HIS 114 HE2 HIS 114 16.673 -6.277 -6.277 848 H LEU 115 HN LEU 115 10.356 -4.185 -4.185 849 HA LEU 115 HA LEU 115 10.427 -4.894 -4.894 850 1HB LEU 115 HB2 LEU 115 8.080 -3.384 -3.384 851 2HB LEU 115 HB1 LEU 115 8.153 -4.891 -4.891 852 HG LEU 115 HG LEU 115 8.550 -4.513 -4.513 853 1HD1 LEU 115 HD11 LEU 115 6.260 -4.913 -4.913 854 2HD1 LEU 115 HD13 LEU 115 6.619 -6.476 -6.476 855 3HD1 LEU 115 HD12 LEU 115 6.409 -5.051 -5.051 856 1HD2 LEU 115 HD23 LEU 115 9.724 -6.458 -6.458 857 2HD2 LEU 115 HD22 LEU 115 9.673 -6.421 -6.421 858 3HD2 LEU 115 HD21 LEU 115 8.405 -7.250 -7.250 859 H ALA 116 HN ALA 116 9.724 -1.770 -1.770 860 HA ALA 116 HA ALA 116 9.404 -0.234 -0.234 861 1HB ALA 116 HB1 ALA 116 9.260 0.340 0.340 862 2HB ALA 116 HB3 ALA 116 10.881 0.969 0.969 863 3HB ALA 116 HB2 ALA 116 9.508 1.594 1.594 864 H ILE 117 HN ILE 117 12.354 -1.176 -1.176 865 HA ILE 117 HA ILE 117 14.230 0.344 0.344 866 HB ILE 117 HB ILE 117 14.443 -2.464 -2.464 867 1HG1 ILE 117 HG11 ILE 117 15.541 0.149 0.149 868 2HG1 ILE 117 HG12 ILE 117 14.029 -0.576 -0.576 869 1HG2 ILE 117 HG21 ILE 117 16.387 -0.837 -0.837 870 2HG2 ILE 117 HG23 ILE 117 16.995 -1.646 -1.646 871 3HG2 ILE 117 HG22 ILE 117 16.246 -2.588 -2.588 872 1HD1 ILE 117 HD11 ILE 117 15.747 -2.639 -2.639 873 2HD1 ILE 117 HD13 ILE 117 16.791 -1.257 -1.257 874 3HD1 ILE 117 HD12 ILE 117 15.304 -1.479 -1.479 875 H ARG 118 HN ARG 118 12.762 -2.748 -2.748 876 HA ARG 118 HA ARG 118 14.289 -3.015 -3.015 877 1HB ARG 118 HB2 ARG 118 11.682 -4.392 -4.392 878 2HB ARG 118 HB1 ARG 118 13.274 -5.035 -5.035 879 1HG ARG 118 HG1 ARG 118 13.624 -4.543 -4.543 880 2HG ARG 118 HG2 ARG 118 11.880 -4.820 -4.820 881 1HD ARG 118 HD2 ARG 118 13.396 -6.766 -6.766 882 2HD ARG 118 HD1 ARG 118 13.803 -6.766 -6.766 883 HE ARG 118 HE ARG 118 11.132 -6.822 -6.822 884 1HH1 ARG 118 HH11 ARG 118 13.423 -8.676 -8.676 885 2HH1 ARG 118 HH12 ARG 118 12.418 -10.085 -10.085 886 1HH2 ARG 118 HH21 ARG 118 9.800 -8.672 -8.672 887 2HH2 ARG 118 HH22 ARG 118 10.357 -10.082 -10.082 888 H GLU 119 HN GLU 119 11.605 -1.168 -1.168 889 HA GLU 119 HA GLU 119 10.474 -0.942 -0.942 890 1HB GLU 119 HB2 GLU 119 9.756 -0.070 -0.070 891 2HB GLU 119 HB1 GLU 119 9.260 1.004 1.004 892 1HG GLU 119 HG2 GLU 119 8.512 -1.875 -1.875 893 2HG GLU 119 HG1 GLU 119 7.455 -0.464 -0.464 894 H GLY 120 HN GLY 120 11.844 1.377 1.377 895 1HA GLY 120 HA1 GLY 120 13.716 2.775 2.775 896 2HA GLY 120 HA2 GLY 120 12.809 2.943 2.943 897 H HIS 121 HN HIS 121 10.566 2.992 2.992 898 HA HIS 121 HA HIS 121 9.941 5.709 5.709 899 1HB HIS 121 HB2 HIS 121 9.101 3.949 3.949 900 2HB HIS 121 HB1 HIS 121 8.266 5.374 5.374 901 HD2 HIS 121 HD2 HIS 121 8.177 1.640 1.640 902 HE1 HIS 121 HE1 HIS 121 6.219 3.230 3.230 903 HE2 HIS 121 HE2 HIS 121 6.524 1.175 1.175 904 H SER 122 HN SER 122 12.164 6.536 6.536 905 HA SER 122 HA SER 122 13.669 6.547 6.547 906 1HB SER 122 HB2 SER 122 12.864 8.751 8.751 907 2HB SER 122 HB1 SER 122 13.734 9.193 9.193 908 HG SER 122 HG SER 122 15.201 8.792 8.792 909 H SER 123 HN SER 123 10.478 7.969 7.969 910 HA SER 123 HA SER 123 10.581 9.291 9.291 911 1HB SER 123 HB2 SER 123 7.895 8.879 8.879 912 2HB SER 123 HB1 SER 123 8.847 10.285 10.285 913 HG SER 123 HG SER 123 7.818 9.353 9.353 914 H VAL 124 HN VAL 124 9.080 6.271 6.271 915 HA VAL 124 HA VAL 124 8.130 5.532 5.532 916 HB VAL 124 HB VAL 124 8.566 3.661 3.661 917 1HG1 VAL 124 HG11 VAL 124 7.898 2.944 2.944 918 2HG1 VAL 124 HG13 VAL 124 6.304 3.514 3.514 919 3HG1 VAL 124 HG12 VAL 124 7.100 2.226 2.226 920 1HG2 VAL 124 HG21 VAL 124 6.970 5.978 5.978 921 2HG2 VAL 124 HG23 VAL 124 6.987 4.676 4.676 922 3HG2 VAL 124 HG22 VAL 124 5.871 4.609 4.609 923 H VAL 125 HN VAL 125 10.810 4.346 4.346 924 HA VAL 125 HA VAL 125 11.813 2.408 2.408 925 HB VAL 125 HB VAL 125 14.114 3.205 3.205 926 1HG1 VAL 125 HG22 VAL 125 11.811 1.970 1.970 927 2HG1 VAL 125 HG21 VAL 125 13.446 2.050 2.050 928 3HG1 VAL 125 HG23 VAL 125 13.137 1.156 1.156 929 1HG2 VAL 125 HG12 VAL 125 12.504 5.285 5.285 930 2HG2 VAL 125 HG11 VAL 125 14.090 4.868 4.868 931 3HG2 VAL 125 HG13 VAL 125 12.630 4.256 4.256 932 H SER 126 HN SER 126 12.794 5.839 5.839 933 HA SER 126 HA SER 126 14.535 5.635 5.635 934 1HB SER 126 HB2 SER 126 15.064 7.449 7.449 935 2HB SER 126 HB1 SER 126 13.377 7.878 7.878 936 HG SER 126 HG SER 126 14.007 9.369 9.369 937 H PHE 127 HN PHE 127 11.163 6.447 6.447 938 HA PHE 127 HA PHE 127 10.804 7.397 7.397 939 1HB PHE 127 HB2 PHE 127 9.261 8.136 8.136 940 2HB PHE 127 HB1 PHE 127 8.847 6.479 6.479 941 HD1 PHE 127 HD1 PHE 127 8.451 9.119 9.119 942 HD2 PHE 127 HD2 PHE 127 7.259 5.225 5.225 943 HE1 PHE 127 HE1 PHE 127 6.580 9.176 9.176 944 HE2 PHE 127 HE2 PHE 127 5.386 5.273 5.273 945 HZ PHE 127 HZ PHE 127 5.046 7.251 7.251 946 H LEU 128 HN LEU 128 10.465 4.282 4.282 947 HA LEU 128 HA LEU 128 9.202 2.988 2.988 948 1HB LEU 128 HB1 LEU 128 9.716 2.362 2.362 949 2HB LEU 128 HB2 LEU 128 10.685 1.215 1.215 950 HG LEU 128 HG LEU 128 8.630 0.131 0.131 951 1HD1 LEU 128 HD13 LEU 128 9.534 0.265 0.265 952 2HD1 LEU 128 HD12 LEU 128 8.114 1.266 1.266 953 3HD1 LEU 128 HD11 LEU 128 7.920 -0.389 -0.389 954 1HD2 LEU 128 HD22 LEU 128 7.387 2.766 2.766 955 2HD2 LEU 128 HD21 LEU 128 7.212 1.830 1.830 956 3HD2 LEU 128 HD23 LEU 128 6.462 1.265 1.265 957 H ALA 129 HN ALA 129 12.220 4.222 4.222 958 HA ALA 129 HA ALA 129 13.860 2.142 2.142 959 1HB ALA 129 HB1 ALA 129 14.083 5.078 5.078 960 2HB ALA 129 HB3 ALA 129 15.154 4.301 4.301 961 3HB ALA 129 HB2 ALA 129 15.178 3.801 3.801 962 HA PRO 130 HA PRO 130 13.332 3.931 3.931 963 1HB PRO 130 HB2 PRO 130 11.668 6.058 6.058 964 2HB PRO 130 HB1 PRO 130 13.391 6.220 6.220 965 1HG PRO 130 HG2 PRO 130 11.050 6.438 6.438 966 2HG PRO 130 HG1 PRO 130 12.516 7.431 7.431 967 1HD PRO 130 HD1 PRO 130 12.170 5.464 5.464 968 2HD PRO 130 HD2 PRO 130 13.764 5.899 5.899 969 H GLU 131 HN GLU 131 10.230 4.794 4.794 970 HA GLU 131 HA GLU 131 8.442 3.969 3.969 971 1HB GLU 131 HB1 GLU 131 8.171 3.253 3.253 972 2HB GLU 131 HB2 GLU 131 6.870 3.531 3.531 973 1HG GLU 131 HG2 GLU 131 8.728 5.519 5.519 974 2HG GLU 131 HG1 GLU 131 6.965 5.478 5.478 975 H SER 132 HN SER 132 10.462 1.887 1.887 976 HA SER 132 HA SER 132 9.210 -0.468 -0.468 977 1HB SER 132 HB2 SER 132 9.492 -0.143 -0.143 978 2HB SER 132 HB1 SER 132 11.130 -0.711 -0.711 979 HG SER 132 HG SER 132 8.976 -2.172 -2.172 980 H ASP 133 HN ASP 133 10.369 -1.810 -1.810 981 HA ASP 133 HA ASP 133 12.445 -1.099 -1.099 982 1HB ASP 133 HB1 ASP 133 12.677 -3.888 -3.888 983 2HB ASP 133 HB2 ASP 133 11.118 -3.424 -3.424 984 H LEU 134 HN LEU 134 14.161 0.019 0.019 985 HA LEU 134 HA LEU 134 15.515 -0.568 -0.568 986 1HB LEU 134 HB1 LEU 134 15.907 1.278 1.278 987 2HB LEU 134 HB2 LEU 134 17.284 0.961 0.961 988 HG LEU 134 HG LEU 134 14.629 2.093 2.093 989 1HD1 LEU 134 HD13 LEU 134 17.278 3.288 3.288 990 2HD1 LEU 134 HD12 LEU 134 16.299 4.012 4.012 991 3HD1 LEU 134 HD11 LEU 134 15.654 3.874 3.874 992 1HD2 LEU 134 HD22 LEU 134 16.944 1.009 1.009 993 2HD2 LEU 134 HD21 LEU 134 15.242 1.101 1.101 994 3HD2 LEU 134 HD23 LEU 134 16.269 2.529 2.529 995 H HIS 135 HN HIS 135 15.845 -2.895 -2.895 996 HA HIS 135 HA HIS 135 18.480 -3.533 -3.533 997 1HB HIS 135 HB1 HIS 135 17.331 -2.912 -2.912 998 2HB HIS 135 HB2 HIS 135 17.131 -4.660 -4.660 999 HD2 HIS 135 HD2 HIS 135 20.283 -2.531 -2.531 1000 HE1 HIS 135 HE1 HIS 135 21.371 -5.448 -5.448 1001 HE2 HIS 135 HE2 HIS 135 22.236 -3.719 -3.719 1002 H HIS 136 HN HIS 136 15.137 -4.561 -4.561 1003 HA HIS 136 HA HIS 136 15.178 -7.248 -7.248 1004 1HB HIS 136 HB1 HIS 136 13.271 -5.489 -5.489 1005 2HB HIS 136 HB2 HIS 136 13.614 -6.048 -6.048 1006 HD2 HIS 136 HD2 HIS 136 11.760 -7.862 -7.862 1007 HE1 HIS 136 HE1 HIS 136 11.665 -9.843 -9.843 1008 HE2 HIS 136 HE2 HIS 136 10.879 -9.909 -9.909 1009 H ARG 137 HN ARG 137 15.097 -8.884 -8.884 1010 HA ARG 137 HA ARG 137 16.700 -8.231 -8.231 1011 1HB ARG 137 HB1 ARG 137 17.517 -9.960 -9.960 1012 2HB ARG 137 HB2 ARG 137 17.702 -10.692 -10.692 1013 1HG ARG 137 HG2 ARG 137 19.176 -8.993 -8.993 1014 2HG ARG 137 HG1 ARG 137 18.794 -7.976 -7.976 1015 1HD ARG 137 HD2 ARG 137 19.792 -9.687 -9.687 1016 2HD ARG 137 HD1 ARG 137 20.244 -10.619 -10.619 1017 HE ARG 137 HE ARG 137 21.240 -7.939 -7.939 1018 1HH1 ARG 137 HH21 ARG 137 21.813 -11.133 -11.133 1019 2HH1 ARG 137 HH22 ARG 137 23.523 -10.905 -10.905 1020 1HH2 ARG 137 HH11 ARG 137 23.491 -7.630 -7.630 1021 2HH2 ARG 137 HH12 ARG 137 24.477 -8.915 -8.915 1022 H ASP 138 HN ASP 138 16.363 -9.581 -9.581 1023 HA ASP 138 HA ASP 138 13.832 -10.993 -10.993 1024 1HB ASP 138 HB2 ASP 138 13.841 -10.827 -10.827 1025 2HB ASP 138 HB1 ASP 138 15.596 -10.907 -10.907 1026 H ALA 139 HN ALA 139 13.617 -13.155 -13.155 1027 HA ALA 139 HA ALA 139 15.016 -15.112 -15.112 1028 1HB ALA 139 HB1 ALA 139 13.159 -15.009 -15.009 1029 2HB ALA 139 HB3 ALA 139 14.448 -16.126 -16.126 1030 3HB ALA 139 HB2 ALA 139 13.549 -16.373 -16.373 1031 H SER 140 HN SER 140 15.960 -13.269 -13.269 1032 HA SER 140 HA SER 140 18.116 -14.898 -14.898 1033 1HB SER 140 HB1 SER 140 17.748 -13.504 -13.504 1034 2HB SER 140 HB2 SER 140 16.932 -12.335 -12.335 1035 HG SER 140 HG SER 140 19.573 -12.449 -12.449 1036 H GLY 141 HN GLY 141 18.035 -11.800 -11.800 1037 1HA GLY 141 HA1 GLY 141 19.430 -11.809 -11.809 1038 2HA GLY 141 HA2 GLY 141 20.705 -12.464 -12.464 1039 H LEU 142 HN LEU 142 18.783 -10.178 -10.178 1040 HA LEU 142 HA LEU 142 20.906 -8.171 -8.171 1041 1HB LEU 142 HB2 LEU 142 18.824 -8.085 -8.085 1042 2HB LEU 142 HB1 LEU 142 20.436 -7.395 -7.395 1043 HG LEU 142 HG LEU 142 20.078 -10.369 -10.369 1044 1HD1 LEU 142 HD12 LEU 142 19.875 -8.550 -8.550 1045 2HD1 LEU 142 HD11 LEU 142 20.278 -10.263 -10.263 1046 3HD1 LEU 142 HD13 LEU 142 18.719 -9.767 -9.767 1047 1HD2 LEU 142 HD21 LEU 142 22.219 -8.451 -8.451 1048 2HD2 LEU 142 HD23 LEU 142 22.301 -9.716 -9.716 1049 3HD2 LEU 142 HD22 LEU 142 22.225 -10.146 -10.146 1050 H THR 143 HN THR 143 20.433 -6.611 -6.611 1051 HA THR 143 HA THR 143 17.749 -6.002 -6.002 1052 HB THR 143 HB THR 143 18.676 -4.800 -4.800 1053 HG1 THR 143 HG1 THR 143 20.706 -3.604 -3.604 1054 1HG2 THR 143 HG23 THR 143 20.077 -6.995 -6.995 1055 2HG2 THR 143 HG22 THR 143 21.368 -5.827 -5.827 1056 3HG2 THR 143 HG21 THR 143 20.505 -5.831 -5.831 1057 HA PRO 144 HA PRO 144 16.450 -2.433 -2.433 1058 1HB PRO 144 HB2 PRO 144 17.491 -0.576 -0.576 1059 2HB PRO 144 HB1 PRO 144 15.894 -0.638 -0.638 1060 1HG PRO 144 HG1 PRO 144 16.256 -1.575 -1.575 1061 2HG PRO 144 HG2 PRO 144 15.199 -2.424 -2.424 1062 1HD PRO 144 HD1 PRO 144 17.953 -3.116 -3.116 1063 2HD PRO 144 HD2 PRO 144 16.598 -4.184 -4.184 1064 H LEU 145 HN LEU 145 19.501 -1.567 -1.567 1065 HA LEU 145 HA LEU 145 20.407 0.133 0.133 1066 1HB LEU 145 HB2 LEU 145 21.140 -0.049 -0.049 1067 2HB LEU 145 HB1 LEU 145 22.261 -1.257 -1.257 1068 HG LEU 145 HG LEU 145 22.156 1.670 1.670 1069 1HD1 LEU 145 HD12 LEU 145 23.896 -0.090 -0.090 1070 2HD1 LEU 145 HD11 LEU 145 24.700 1.139 1.139 1071 3HD1 LEU 145 HD13 LEU 145 23.489 1.612 1.612 1072 1HD2 LEU 145 HD23 LEU 145 23.598 -0.580 -0.580 1073 2HD2 LEU 145 HD22 LEU 145 22.557 0.655 0.655 1074 3HD2 LEU 145 HD21 LEU 145 24.149 1.093 1.093 1075 H GLU 146 HN GLU 146 21.044 -3.241 -3.241 1076 HA GLU 146 HA GLU 146 23.062 -3.824 -3.824 1077 1HB GLU 146 HB1 GLU 146 21.626 -5.268 -5.268 1078 2HB GLU 146 HB2 GLU 146 20.982 -5.901 -5.901 1079 1HG GLU 146 HG2 GLU 146 23.829 -5.936 -5.936 1080 2HG GLU 146 HG1 GLU 146 22.769 -7.308 -7.308 1081 H LEU 147 HN LEU 147 19.576 -4.405 -4.405 1082 HA LEU 147 HA LEU 147 19.747 -5.136 -5.136 1083 1HB LEU 147 HB2 LEU 147 17.705 -4.694 -4.694 1084 2HB LEU 147 HB1 LEU 147 17.418 -3.468 -3.468 1085 HG LEU 147 HG LEU 147 17.583 -6.450 -6.450 1086 1HD1 LEU 147 HD11 LEU 147 15.443 -4.711 -4.711 1087 2HD1 LEU 147 HD13 LEU 147 15.185 -5.289 -5.289 1088 3HD1 LEU 147 HD12 LEU 147 15.400 -6.443 -6.443 1089 1HD2 LEU 147 HD22 LEU 147 18.578 -5.150 -5.150 1090 2HD2 LEU 147 HD21 LEU 147 17.106 -6.005 -6.005 1091 3HD2 LEU 147 HD23 LEU 147 17.058 -4.269 -4.269 1092 H ALA 148 HN ALA 148 19.915 -1.971 -1.971 1093 HA ALA 148 HA ALA 148 19.508 -0.498 -0.498 1094 1HB ALA 148 HB3 ALA 148 20.715 0.289 0.289 1095 2HB ALA 148 HB2 ALA 148 20.424 1.410 1.410 1096 3HB ALA 148 HB1 ALA 148 19.068 0.585 0.585 1097 H ARG 149 HN ARG 149 22.187 -2.110 -2.110 1098 HA ARG 149 HA ARG 149 24.301 -0.692 -0.692 1099 1HB ARG 149 HB1 ARG 149 24.707 -2.150 -2.150 1100 2HB ARG 149 HB2 ARG 149 24.155 -3.547 -3.547 1101 1HG ARG 149 HG2 ARG 149 26.241 -2.285 -2.285 1102 2HG ARG 149 HG1 ARG 149 26.770 -2.499 -2.499 1103 1HD ARG 149 HD2 ARG 149 25.415 -4.760 -4.760 1104 2HD ARG 149 HD1 ARG 149 27.100 -4.405 -4.405 1105 HE ARG 149 HE ARG 149 26.981 -4.491 -4.491 1106 1HH1 ARG 149 HH21 ARG 149 26.242 -6.673 -6.673 1107 2HH1 ARG 149 HH22 ARG 149 26.605 -8.098 -8.098 1108 1HH2 ARG 149 HH11 ARG 149 27.463 -6.359 -6.359 1109 2HH2 ARG 149 HH12 ARG 149 27.299 -7.919 -7.919 1110 H GLN 150 HN GLN 150 22.667 -3.724 -3.724 1111 HA GLN 150 HA GLN 150 24.073 -4.098 -4.098 1112 1HB GLN 150 HB1 GLN 150 21.781 -5.420 -5.420 1113 2HB GLN 150 HB2 GLN 150 23.086 -6.078 -6.078 1114 1HG GLN 150 HG2 GLN 150 21.077 -4.444 -4.444 1115 2HG GLN 150 HG1 GLN 150 20.541 -6.009 -6.009 1116 1HE2 GLN 150 HE22 GLN 150 22.070 -7.830 -7.830 1117 2HE2 GLN 150 HE21 GLN 150 21.018 -7.777 -7.777 1118 H ARG 151 HN ARG 151 20.606 -3.359 -3.359 1119 HA ARG 151 HA ARG 151 20.550 -2.153 -2.153 1120 1HB ARG 151 HB2 ARG 151 18.432 -1.987 -1.987 1121 2HB ARG 151 HB1 ARG 151 18.214 -1.770 -1.770 1122 1HG ARG 151 HG2 ARG 151 18.810 -4.139 -4.139 1123 2HG ARG 151 HG1 ARG 151 18.918 -4.335 -4.335 1124 1HD ARG 151 HD1 ARG 151 16.753 -5.087 -5.087 1125 2HD ARG 151 HD2 ARG 151 16.584 -3.765 -3.765 1126 HE ARG 151 HE ARG 151 15.851 -2.390 -2.390 1127 1HH1 ARG 151 HH21 ARG 151 17.000 -5.413 -5.413 1128 2HH1 ARG 151 HH22 ARG 151 16.356 -5.133 -5.133 1129 1HH2 ARG 151 HH11 ARG 151 15.003 -2.007 -2.007 1130 2HH2 ARG 151 HH12 ARG 151 15.219 -3.195 -3.195 1131 H GLY 152 HN GLY 152 22.464 -0.775 -0.775 1132 1HA GLY 152 HA1 GLY 152 21.757 1.456 1.456 1133 2HA GLY 152 HA2 GLY 152 23.237 1.275 1.275 1134 H ALA 153 HN ALA 153 19.806 1.492 1.492 1135 HA ALA 153 HA ALA 153 19.807 2.642 2.642 1136 1HB ALA 153 HB3 ALA 153 18.115 3.186 3.186 1137 2HB ALA 153 HB2 ALA 153 17.925 4.227 4.227 1138 3HB ALA 153 HB1 ALA 153 17.684 2.487 2.487 1139 H GLN 154 HN GLN 154 20.362 4.509 4.509 1140 HA GLN 154 HA GLN 154 22.288 6.186 6.186 1141 1HB GLN 154 HB2 GLN 154 20.669 8.306 8.306 1142 2HB GLN 154 HB1 GLN 154 20.879 7.487 7.487 1143 1HG GLN 154 HG2 GLN 154 18.546 7.886 7.886 1144 2HG GLN 154 HG1 GLN 154 18.866 6.155 6.155 1145 1HE2 GLN 154 HE22 GLN 154 17.682 5.726 5.726 1146 2HE2 GLN 154 HE21 GLN 154 18.351 5.034 5.034 1147 H ASN 155 HN ASN 155 20.212 8.047 8.047 1148 HA ASN 155 HA ASN 155 22.085 7.948 7.948 1149 1HB ASN 155 HB2 ASN 155 19.708 9.530 9.530 1150 2HB ASN 155 HB1 ASN 155 19.941 9.297 9.297 1151 1HD2 ASN 155 HD22 ASN 155 22.907 11.208 11.208 1152 2HD2 ASN 155 HD21 ASN 155 22.037 9.900 9.900 1153 H LEU 156 HN LEU 156 19.927 5.709 5.709 1154 HA LEU 156 HA LEU 156 18.284 5.151 5.151 1155 1HB LEU 156 HB1 LEU 156 19.344 3.740 3.740 1156 2HB LEU 156 HB2 LEU 156 19.332 2.678 2.678 1157 HG LEU 156 HG LEU 156 16.995 4.067 4.067 1158 1HD1 LEU 156 HD11 LEU 156 18.017 1.771 1.771 1159 2HD1 LEU 156 HD13 LEU 156 17.160 1.172 1.172 1160 3HD1 LEU 156 HD12 LEU 156 16.270 1.971 1.971 1161 1HD2 LEU 156 HD23 LEU 156 17.347 3.162 3.162 1162 2HD2 LEU 156 HD22 LEU 156 16.198 4.312 4.312 1163 3HD2 LEU 156 HD21 LEU 156 15.887 2.580 2.580 1164 H MET 157 HN MET 157 21.541 3.752 3.752 1165 HA MET 157 HA MET 157 21.736 2.445 2.445 1166 1HB MET 157 HB1 MET 157 24.081 3.854 3.854 1167 2HB MET 157 HB2 MET 157 24.053 2.329 2.329 1168 1HG MET 157 HG2 MET 157 23.838 1.228 1.228 1169 2HG MET 157 HG1 MET 157 22.339 2.087 2.087 1170 1HE MET 157 HE1 MET 157 25.175 0.889 0.889 1171 2HE MET 157 HE3 MET 157 25.545 1.822 1.822 1172 3HE MET 157 HE2 MET 157 26.396 2.161 2.161 1173 H ASP 158 HN ASP 158 22.142 5.838 5.838 1174 HA ASP 158 HA ASP 158 23.310 6.535 6.535 1175 1HB ASP 158 HB1 ASP 158 23.472 7.837 7.837 1176 2HB ASP 158 HB2 ASP 158 21.856 8.432 8.432 1177 H ILE 159 HN ILE 159 20.088 7.196 7.196 1178 HA ILE 159 HA ILE 159 18.940 8.327 8.327 1179 HB ILE 159 HB ILE 159 16.916 6.712 6.712 1180 1HG1 ILE 159 HG12 ILE 159 18.545 8.082 8.082 1181 2HG1 ILE 159 HG11 ILE 159 18.603 6.348 6.348 1182 1HG2 ILE 159 HG21 ILE 159 17.650 9.550 9.550 1183 2HG2 ILE 159 HG23 ILE 159 16.529 9.136 9.136 1184 3HG2 ILE 159 HG22 ILE 159 16.132 8.734 8.734 1185 1HD1 ILE 159 HD13 ILE 159 15.940 7.543 7.543 1186 2HD1 ILE 159 HD12 ILE 159 17.019 7.435 7.435 1187 3HD1 ILE 159 HD11 ILE 159 16.582 5.979 5.979 1188 H LEU 160 HN LEU 160 19.510 4.953 4.953 1189 HA LEU 160 HA LEU 160 17.870 3.939 3.939 1190 1HB LEU 160 HB2 LEU 160 20.064 2.712 2.712 1191 2HB LEU 160 HB1 LEU 160 19.166 1.822 1.822 1192 HG LEU 160 HG LEU 160 18.502 1.944 1.944 1193 1HD1 LEU 160 HD11 LEU 160 17.558 0.737 0.737 1194 2HD1 LEU 160 HD13 LEU 160 16.170 1.700 1.700 1195 3HD1 LEU 160 HD12 LEU 160 16.886 0.531 0.531 1196 1HD2 LEU 160 HD22 LEU 160 17.933 4.313 4.313 1197 2HD2 LEU 160 HD21 LEU 160 16.517 3.324 3.324 1198 3HD2 LEU 160 HD23 LEU 160 16.756 3.970 3.970 1199 H GLN 161 HN GLN 161 21.422 4.014 4.014 1200 HA GLN 161 HA GLN 161 21.947 3.310 3.310 1201 1HB GLN 161 HB1 GLN 161 24.231 3.861 3.861 1202 2HB GLN 161 HB2 GLN 161 23.537 3.062 3.062 1203 1HG GLN 161 HG1 GLN 161 23.058 5.562 5.562 1204 2HG GLN 161 HG2 GLN 161 24.430 5.865 5.865 1205 1HE2 GLN 161 HE22 GLN 161 26.230 5.440 5.440 1206 2HE2 GLN 161 HE21 GLN 161 25.486 6.596 6.596 1207 H GLY 162 HN GLY 162 20.885 6.216 6.216 1208 1HA GLY 162 HA2 GLY 162 22.123 8.049 8.049 1209 2HA GLY 162 HA1 GLY 162 20.757 8.387 8.387 1210 H HIS 163 HN HIS 163 18.769 6.861 6.861 1211 HA HIS 163 HA HIS 163 18.023 8.023 8.023 1212 1HB HIS 163 HB2 HIS 163 16.697 6.135 6.135 1213 2HB HIS 163 HB1 HIS 163 15.982 6.448 6.448 1214 HD2 HIS 163 HD2 HIS 163 17.354 8.875 8.875 1215 HE1 HIS 163 HE1 HIS 163 13.611 10.228 10.228 1216 HE2 HIS 163 HE2 HIS 163 15.429 10.587 10.587 1217 H MET 164 HN MET 164 19.698 5.202 5.202 1218 HA MET 164 HA MET 164 18.934 3.235 3.235 1219 1HB MET 164 HB1 MET 164 21.390 3.997 3.997 1220 2HB MET 164 HB2 MET 164 21.737 3.373 3.373 1221 1HG MET 164 HG1 MET 164 19.914 1.569 1.569 1222 2HG MET 164 HG2 MET 164 20.873 1.983 1.983 1223 1HE MET 164 HE3 MET 164 21.451 -0.233 -0.233 1224 2HE MET 164 HE2 MET 164 23.158 0.206 0.206 1225 3HE MET 164 HE1 MET 164 22.650 -1.185 -1.185 1226 H MET 165 HN MET 165 21.732 5.099 5.099 1227 HA MET 165 HA MET 165 20.730 6.362 6.362 1228 1HB MET 165 HB1 MET 165 20.834 3.485 3.485 1229 2HB MET 165 HB2 MET 165 21.826 4.320 4.320 1230 1HG MET 165 HG1 MET 165 19.641 5.819 5.819 1231 2HG MET 165 HG2 MET 165 18.891 4.324 4.324 1232 1HE MET 165 HE3 MET 165 21.462 5.795 5.795 1233 2HE MET 165 HE2 MET 165 21.396 4.765 4.765 1234 3HE MET 165 HE1 MET 165 22.194 4.191 4.191 1235 H ILE 166 HN ILE 166 23.335 4.391 4.391 1236 HA ILE 166 HA ILE 166 25.621 4.467 4.467 1237 HB ILE 166 HB ILE 166 25.124 7.345 7.345 1238 1HG1 ILE 166 HG12 ILE 166 23.915 5.999 5.999 1239 2HG1 ILE 166 HG11 ILE 166 25.412 6.501 6.501 1240 1HG2 ILE 166 HG23 ILE 166 27.483 5.833 5.833 1241 2HG2 ILE 166 HG22 ILE 166 27.402 6.216 6.216 1242 3HG2 ILE 166 HG21 ILE 166 27.335 7.511 7.511 1243 1HD1 ILE 166 HD11 ILE 166 26.292 4.207 4.207 1244 2HD1 ILE 166 HD13 ILE 166 24.575 3.808 3.808 1245 3HD1 ILE 166 HD12 ILE 166 25.312 4.296 4.296 1246 HA PRO 167 HA PRO 167 25.488 5.998 5.998 1247 1HB PRO 167 HB1 PRO 167 27.808 4.135 4.135 1248 2HB PRO 167 HB2 PRO 167 26.465 4.277 4.277 1249 1HG PRO 167 HG2 PRO 167 26.569 2.261 2.261 1250 2HG PRO 167 HG1 PRO 167 25.028 3.042 3.042 1251 1HD PRO 167 HD2 PRO 167 26.722 3.330 3.330 1252 2HD PRO 167 HD1 PRO 167 24.953 3.315 3.315 1253 H MET 168 HN MET 168 28.179 5.848 5.848 1254 HA MET 168 HA MET 168 29.854 7.368 7.368 1255 1HB MET 168 HB2 MET 168 30.267 7.078 7.078 1256 2HB MET 168 HB1 MET 168 31.480 7.463 7.463 1257 1HG MET 168 HG1 MET 168 30.604 5.098 5.098 1258 2HG MET 168 HG2 MET 168 30.342 4.870 4.870 1259 1HE MET 168 HE2 MET 168 32.535 5.989 5.989 1260 2HE MET 168 HE1 MET 168 34.035 5.096 5.096 1261 3HE MET 168 HE3 MET 168 33.843 6.708 6.708 Start of MODEL 16 1 1H GLY 1 HT3 GLY 1 -36.145 -3.769 -3.769 2 2H GLY 1 HT2 GLY 1 -37.283 -3.006 -3.006 3 3H GLY 1 HT1 GLY 1 -36.702 -4.539 -4.539 4 1HA GLY 1 HA1 GLY 1 -35.502 -3.198 -3.198 5 2HA GLY 1 HA2 GLY 1 -35.368 -1.927 -1.927 6 H SER 2 HN SER 2 -33.133 -1.767 -1.767 7 HA SER 2 HA SER 2 -31.344 -3.933 -3.933 8 1HB SER 2 HB2 SER 2 -29.636 -2.195 -2.195 9 2HB SER 2 HB1 SER 2 -30.614 -1.785 -1.785 10 HG SER 2 HG SER 2 -30.991 -0.005 -0.005 11 H MET 3 HN MET 3 -32.487 -5.105 -5.105 12 HA MET 3 HA MET 3 -31.878 -4.102 -4.102 13 1HB MET 3 HB1 MET 3 -33.612 -6.350 -6.350 14 2HB MET 3 HB2 MET 3 -33.221 -6.164 -6.164 15 1HG MET 3 HG2 MET 3 -34.096 -3.653 -3.653 16 2HG MET 3 HG1 MET 3 -35.161 -4.764 -4.764 17 1HE MET 3 HE1 MET 3 -35.471 -7.039 -7.039 18 2HE MET 3 HE3 MET 3 -35.298 -7.210 -7.210 19 3HE MET 3 HE2 MET 3 -36.872 -6.825 -6.825 20 H LEU 4 HN LEU 4 -29.969 -5.350 -5.350 21 HA LEU 4 HA LEU 4 -28.994 -7.607 -7.607 22 1HB LEU 4 HB1 LEU 4 -29.170 -7.148 -7.148 23 2HB LEU 4 HB2 LEU 4 -27.462 -7.141 -7.141 24 HG LEU 4 HG LEU 4 -27.698 -9.361 -9.361 25 1HD1 LEU 4 HD22 LEU 4 -30.511 -8.744 -8.744 26 2HD1 LEU 4 HD21 LEU 4 -30.102 -10.317 -10.317 27 3HD1 LEU 4 HD23 LEU 4 -29.721 -9.962 -9.962 28 1HD2 LEU 4 HD13 LEU 4 -27.096 -9.121 -9.121 29 2HD2 LEU 4 HD12 LEU 4 -27.956 -10.623 -10.623 30 3HD2 LEU 4 HD11 LEU 4 -28.802 -9.277 -9.277 31 H LEU 5 HN LEU 5 -28.609 -5.263 -5.263 32 HA LEU 5 HA LEU 5 -25.854 -4.435 -4.435 33 1HB LEU 5 HB2 LEU 5 -28.176 -3.056 -3.056 34 2HB LEU 5 HB1 LEU 5 -27.022 -2.994 -2.994 35 HG LEU 5 HG LEU 5 -25.330 -2.141 -2.141 36 1HD1 LEU 5 HD22 LEU 5 -27.601 -2.582 -2.582 37 2HD1 LEU 5 HD21 LEU 5 -27.039 -0.912 -0.912 38 3HD1 LEU 5 HD23 LEU 5 -25.921 -2.234 -2.234 39 1HD2 LEU 5 HD12 LEU 5 -27.065 -0.838 -0.838 40 2HD2 LEU 5 HD11 LEU 5 -25.815 -0.046 -0.046 41 3HD2 LEU 5 HD13 LEU 5 -27.471 -0.130 -0.130 42 H GLU 6 HN GLU 6 -24.508 -3.961 -3.961 43 HA GLU 6 HA GLU 6 -23.843 -6.241 -6.241 44 1HB GLU 6 HB1 GLU 6 -23.566 -3.367 -3.367 45 2HB GLU 6 HB2 GLU 6 -22.840 -4.708 -4.708 46 1HG GLU 6 HG2 GLU 6 -22.132 -4.977 -4.977 47 2HG GLU 6 HG1 GLU 6 -21.842 -3.304 -3.304 48 H GLU 7 HN GLU 7 -24.605 -7.400 -7.400 49 HA GLU 7 HA GLU 7 -26.918 -6.321 -6.321 50 1HB GLU 7 HB2 GLU 7 -26.277 -8.970 -8.970 51 2HB GLU 7 HB1 GLU 7 -26.954 -9.002 -9.002 52 1HG GLU 7 HG2 GLU 7 -28.969 -8.800 -8.800 53 2HG GLU 7 HG1 GLU 7 -28.523 -7.201 -7.201 54 H VAL 8 HN VAL 8 -24.381 -5.565 -5.565 55 HA VAL 8 HA VAL 8 -23.923 -7.209 -7.209 56 HB VAL 8 HB VAL 8 -21.906 -7.024 -7.024 57 1HG1 VAL 8 HG13 VAL 8 -22.609 -4.116 -4.116 58 2HG1 VAL 8 HG12 VAL 8 -20.954 -4.678 -4.678 59 3HG1 VAL 8 HG11 VAL 8 -22.241 -5.255 -5.255 60 1HG2 VAL 8 HG21 VAL 8 -21.948 -6.542 -6.542 61 2HG2 VAL 8 HG23 VAL 8 -20.466 -6.248 -6.248 62 3HG2 VAL 8 HG22 VAL 8 -21.518 -4.899 -4.899 63 H CYS 9 HN CYS 9 -25.119 -4.219 -4.219 64 HA CYS 9 HA CYS 9 -26.053 -2.447 -2.447 65 1HB CYS 9 HB1 CYS 9 -25.744 -4.341 -4.341 66 2HB CYS 9 HB2 CYS 9 -26.362 -2.710 -2.710 67 HG CYS 9 HG CYS 9 -27.955 -5.028 -5.028 68 H VAL 10 HN VAL 10 -24.241 -3.083 -3.083 69 HA VAL 10 HA VAL 10 -22.964 -0.542 -0.542 70 HB VAL 10 HB VAL 10 -22.818 -2.853 -2.853 71 1HG1 VAL 10 HG13 VAL 10 -20.857 -0.669 -0.669 72 2HG1 VAL 10 HG12 VAL 10 -21.415 -0.999 -0.999 73 3HG1 VAL 10 HG11 VAL 10 -20.667 -2.283 -2.283 74 1HG2 VAL 10 HG21 VAL 10 -24.711 -1.196 -1.196 75 2HG2 VAL 10 HG23 VAL 10 -23.852 -1.365 -1.365 76 3HG2 VAL 10 HG22 VAL 10 -23.538 0.025 0.025 77 H GLY 11 HN GLY 11 -21.605 -3.847 -3.847 78 1HA GLY 11 HA2 GLY 11 -18.985 -3.506 -3.506 79 2HA GLY 11 HA1 GLY 11 -19.820 -4.676 -4.676 80 H ASP 12 HN ASP 12 -21.051 -3.333 -3.333 81 HA ASP 12 HA ASP 12 -18.904 -2.382 -2.382 82 1HB ASP 12 HB2 ASP 12 -21.866 -2.686 -2.686 83 2HB ASP 12 HB1 ASP 12 -20.550 -3.582 -3.582 84 H ARG 13 HN ARG 13 -21.265 -0.874 -0.874 85 HA ARG 13 HA ARG 13 -21.205 1.697 1.697 86 1HB ARG 13 HB2 ARG 13 -22.736 0.484 0.484 87 2HB ARG 13 HB1 ARG 13 -21.833 1.705 1.705 88 1HG ARG 13 HG2 ARG 13 -23.609 2.967 2.967 89 2HG ARG 13 HG1 ARG 13 -22.624 3.207 3.207 90 1HD ARG 13 HD2 ARG 13 -23.835 1.466 1.466 91 2HD ARG 13 HD1 ARG 13 -24.762 1.103 1.103 92 HE ARG 13 HE ARG 13 -26.087 2.936 2.936 93 1HH1 ARG 13 HH21 ARG 13 -23.294 3.008 3.008 94 2HH1 ARG 13 HH22 ARG 13 -23.890 4.307 4.307 95 1HH2 ARG 13 HH11 ARG 13 -26.882 4.653 4.653 96 2HH2 ARG 13 HH12 ARG 13 -25.931 5.244 5.244 97 H LEU 14 HN LEU 14 -20.035 0.784 0.784 98 HA LEU 14 HA LEU 14 -18.321 3.030 3.030 99 1HB LEU 14 HB1 LEU 14 -19.242 1.924 1.924 100 2HB LEU 14 HB2 LEU 14 -18.365 0.457 0.457 101 HG LEU 14 HG LEU 14 -17.371 1.852 1.852 102 1HD1 LEU 14 HD12 LEU 14 -16.174 0.331 0.331 103 2HD1 LEU 14 HD11 LEU 14 -15.257 1.835 1.835 104 3HD1 LEU 14 HD13 LEU 14 -15.374 0.971 0.971 105 1HD2 LEU 14 HD22 LEU 14 -17.820 4.048 4.048 106 2HD2 LEU 14 HD21 LEU 14 -16.103 3.835 3.835 107 3HD2 LEU 14 HD23 LEU 14 -16.695 3.699 3.699 108 H SER 15 HN SER 15 -17.580 -0.440 -0.440 109 HA SER 15 HA SER 15 -14.814 -0.118 -0.118 110 1HB SER 15 HB1 SER 15 -16.329 -2.272 -2.272 111 2HB SER 15 HB2 SER 15 -16.215 -2.328 -2.328 112 HG SER 15 HG SER 15 -14.443 -3.184 -3.184 113 H GLY 16 HN GLY 16 -17.456 -0.068 -0.068 114 1HA GLY 16 HA1 GLY 16 -15.899 -0.104 -0.104 115 2HA GLY 16 HA2 GLY 16 -17.522 0.555 0.555 116 H ALA 17 HN ALA 17 -17.468 2.731 2.731 117 HA ALA 17 HA ALA 17 -16.228 4.644 4.644 118 1HB ALA 17 HB1 ALA 17 -17.736 4.643 4.643 119 2HB ALA 17 HB3 ALA 17 -16.641 6.010 6.010 120 3HB ALA 17 HB2 ALA 17 -17.883 5.686 5.686 121 H ALA 18 HN ALA 18 -15.210 3.256 3.256 122 HA ALA 18 HA ALA 18 -13.047 4.909 4.909 123 1HB ALA 18 HB3 ALA 18 -13.964 2.278 2.278 124 2HB ALA 18 HB2 ALA 18 -12.207 2.438 2.438 125 3HB ALA 18 HB1 ALA 18 -13.214 3.569 3.569 126 H ALA 19 HN ALA 19 -13.123 1.901 1.901 127 HA ALA 19 HA ALA 19 -10.354 2.009 2.009 128 1HB ALA 19 HB2 ALA 19 -11.656 -0.090 -0.090 129 2HB ALA 19 HB1 ALA 19 -12.555 0.442 0.442 130 3HB ALA 19 HB3 ALA 19 -10.822 0.140 0.140 131 H ARG 20 HN ARG 20 -13.167 3.531 3.531 132 HA ARG 20 HA ARG 20 -12.369 3.886 3.886 133 1HB ARG 20 HB2 ARG 20 -14.368 5.226 5.226 134 2HB ARG 20 HB1 ARG 20 -14.025 5.886 5.886 135 1HG ARG 20 HG1 ARG 20 -14.437 3.184 3.184 136 2HG ARG 20 HG2 ARG 20 -15.645 3.615 3.615 137 1HD ARG 20 HD2 ARG 20 -16.660 3.991 3.991 138 2HD ARG 20 HD1 ARG 20 -16.238 5.581 5.581 139 HE ARG 20 HE ARG 20 -14.787 5.854 5.854 140 1HH1 ARG 20 HH11 ARG 20 -15.649 2.491 2.491 141 2HH1 ARG 20 HH12 ARG 20 -14.877 2.045 2.045 142 1HH2 ARG 20 HH21 ARG 20 -13.764 5.280 5.280 143 2HH2 ARG 20 HH22 ARG 20 -13.802 3.631 3.631 144 H GLY 21 HN GLY 21 -11.685 5.589 5.589 145 1HA GLY 21 HA1 GLY 21 -9.906 7.043 7.043 146 2HA GLY 21 HA2 GLY 21 -9.604 7.096 7.096 147 H ASP 22 HN ASP 22 -12.727 7.729 7.729 148 HA ASP 22 HA ASP 22 -12.558 10.480 10.480 149 1HB ASP 22 HB2 ASP 22 -15.197 9.590 9.590 150 2HB ASP 22 HB1 ASP 22 -14.507 8.542 8.542 151 H VAL 23 HN VAL 23 -11.722 11.676 11.676 152 HA VAL 23 HA VAL 23 -12.045 11.310 11.310 153 HB VAL 23 HB VAL 23 -10.373 12.828 12.828 154 1HG1 VAL 23 HG11 VAL 23 -12.717 14.609 14.609 155 2HG1 VAL 23 HG13 VAL 23 -11.018 15.061 15.061 156 3HG1 VAL 23 HG12 VAL 23 -11.677 13.782 13.782 157 1HG2 VAL 23 HG23 VAL 23 -11.646 13.124 13.124 158 2HG2 VAL 23 HG22 VAL 23 -10.314 14.160 14.160 159 3HG2 VAL 23 HG21 VAL 23 -11.980 14.701 14.701 160 H GLN 24 HN GLN 24 -14.314 12.413 12.413 161 HA GLN 24 HA GLN 24 -15.909 14.010 14.010 162 1HB GLN 24 HB1 GLN 24 -16.222 12.892 12.892 163 2HB GLN 24 HB2 GLN 24 -17.658 13.453 13.453 164 1HG GLN 24 HG2 GLN 24 -16.175 15.585 15.585 165 2HG GLN 24 HG1 GLN 24 -15.329 14.991 14.991 166 1HE2 GLN 24 HE22 GLN 24 -17.880 17.298 17.298 167 2HE2 GLN 24 HE21 GLN 24 -16.432 17.359 17.359 168 H GLU 25 HN GLU 25 -16.336 10.747 10.747 169 HA GLU 25 HA GLU 25 -18.640 10.183 10.183 170 1HB GLU 25 HB1 GLU 25 -16.907 8.107 8.107 171 2HB GLU 25 HB2 GLU 25 -18.638 8.054 8.054 172 1HG GLU 25 HG2 GLU 25 -17.255 8.938 8.938 173 2HG GLU 25 HG1 GLU 25 -18.991 8.785 8.785 174 H VAL 26 HN VAL 26 -15.199 9.521 9.521 175 HA VAL 26 HA VAL 26 -15.243 7.556 7.556 176 HB VAL 26 HB VAL 26 -13.191 8.517 8.517 177 1HG1 VAL 26 HG13 VAL 26 -13.768 10.888 10.888 178 2HG1 VAL 26 HG12 VAL 26 -13.294 10.533 10.533 179 3HG1 VAL 26 HG11 VAL 26 -12.108 10.418 10.418 180 1HG2 VAL 26 HG21 VAL 26 -13.479 7.139 7.139 181 2HG2 VAL 26 HG23 VAL 26 -11.935 7.480 7.480 182 3HG2 VAL 26 HG22 VAL 26 -12.510 8.514 8.514 183 H ARG 27 HN ARG 27 -15.290 11.082 11.082 184 HA ARG 27 HA ARG 27 -15.555 10.810 10.810 185 1HB ARG 27 HB2 ARG 27 -16.444 13.332 13.332 186 2HB ARG 27 HB1 ARG 27 -14.754 12.896 12.896 187 1HG ARG 27 HG1 ARG 27 -14.331 13.119 13.119 188 2HG ARG 27 HG2 ARG 27 -16.001 12.784 12.784 189 1HD ARG 27 HD1 ARG 27 -15.983 15.132 15.132 190 2HD ARG 27 HD2 ARG 27 -14.729 15.299 15.299 191 HE ARG 27 HE ARG 27 -17.257 14.379 14.379 192 1HH1 ARG 27 HH11 ARG 27 -15.315 17.158 17.158 193 2HH1 ARG 27 HH12 ARG 27 -16.157 18.219 18.219 194 1HH2 ARG 27 HH21 ARG 27 -18.373 15.769 15.769 195 2HH2 ARG 27 HH22 ARG 27 -17.896 17.429 17.429 196 H ARG 28 HN ARG 28 -17.828 11.646 11.646 197 HA ARG 28 HA ARG 28 -20.094 12.015 12.015 198 1HB ARG 28 HB1 ARG 28 -20.359 12.749 12.749 199 2HB ARG 28 HB2 ARG 28 -19.643 11.299 11.299 200 1HG ARG 28 HG2 ARG 28 -22.090 10.712 10.712 201 2HG ARG 28 HG1 ARG 28 -22.335 11.905 11.905 202 1HD ARG 28 HD1 ARG 28 -21.759 10.448 10.448 203 2HD ARG 28 HD2 ARG 28 -20.720 9.485 9.485 204 HE ARG 28 HE ARG 28 -22.519 8.170 8.170 205 1HH1 ARG 28 HH21 ARG 28 -23.655 11.157 11.157 206 2HH1 ARG 28 HH22 ARG 28 -25.306 10.641 10.641 207 1HH2 ARG 28 HH11 ARG 28 -24.692 7.479 7.479 208 2HH2 ARG 28 HH12 ARG 28 -25.895 8.549 8.549 209 H LEU 29 HN LEU 29 -18.506 9.124 9.124 210 HA LEU 29 HA LEU 29 -20.695 7.357 7.357 211 1HB LEU 29 HB2 LEU 29 -17.770 7.008 7.008 212 2HB LEU 29 HB1 LEU 29 -18.735 5.641 5.641 213 HG LEU 29 HG LEU 29 -19.415 7.288 7.288 214 1HD1 LEU 29 HD12 LEU 29 -17.228 5.522 5.522 215 2HD1 LEU 29 HD11 LEU 29 -18.422 4.715 4.715 216 3HD1 LEU 29 HD13 LEU 29 -17.796 6.298 6.298 217 1HD2 LEU 29 HD22 LEU 29 -20.537 4.917 4.917 218 2HD2 LEU 29 HD21 LEU 29 -21.325 6.141 6.141 219 3HD2 LEU 29 HD23 LEU 29 -20.424 4.830 4.830 220 H LEU 30 HN LEU 30 -17.548 7.357 7.357 221 HA LEU 30 HA LEU 30 -18.469 5.952 5.952 222 1HB LEU 30 HB1 LEU 30 -16.022 7.638 7.638 223 2HB LEU 30 HB2 LEU 30 -16.308 6.770 6.770 224 HG LEU 30 HG LEU 30 -16.150 5.452 5.452 225 1HD1 LEU 30 HD12 LEU 30 -14.025 6.561 6.561 226 2HD1 LEU 30 HD11 LEU 30 -14.041 5.449 5.449 227 3HD1 LEU 30 HD13 LEU 30 -13.926 4.821 4.821 228 1HD2 LEU 30 HD21 LEU 30 -16.967 4.560 4.560 229 2HD2 LEU 30 HD23 LEU 30 -17.009 3.706 3.706 230 3HD2 LEU 30 HD22 LEU 30 -15.552 3.665 3.665 231 H HIS 31 HN HIS 31 -17.310 9.332 9.332 232 HA HIS 31 HA HIS 31 -18.384 9.844 9.844 233 1HB HIS 31 HB1 HIS 31 -17.480 11.940 11.940 234 2HB HIS 31 HB2 HIS 31 -16.545 11.094 11.094 235 HD2 HIS 31 HD2 HIS 31 -16.291 12.642 12.642 236 HE1 HIS 31 HE1 HIS 31 -20.086 14.505 14.505 237 HE2 HIS 31 HE2 HIS 31 -17.834 14.476 14.476 238 H ARG 32 HN ARG 32 -20.096 9.441 9.441 239 HA ARG 32 HA ARG 32 -22.313 11.023 11.023 240 1HB ARG 32 HB1 ARG 32 -21.033 11.405 11.405 241 2HB ARG 32 HB2 ARG 32 -22.653 10.796 10.796 242 1HG ARG 32 HG1 ARG 32 -23.049 12.713 12.713 243 2HG ARG 32 HG2 ARG 32 -21.793 13.408 13.408 244 1HD ARG 32 HD1 ARG 32 -23.911 12.152 12.152 245 2HD ARG 32 HD2 ARG 32 -24.516 13.432 13.432 246 HE ARG 32 HE ARG 32 -22.413 14.617 14.617 247 1HH1 ARG 32 HH11 ARG 32 -25.064 12.772 12.772 248 2HH1 ARG 32 HH12 ARG 32 -25.079 13.617 13.617 249 1HH2 ARG 32 HH21 ARG 32 -22.424 15.737 15.737 250 2HH2 ARG 32 HH22 ARG 32 -23.578 15.302 15.302 251 H GLU 33 HN GLU 33 -21.931 8.744 8.744 252 HA GLU 33 HA GLU 33 -24.412 7.559 7.559 253 1HB GLU 33 HB1 GLU 33 -22.579 7.265 7.265 254 2HB GLU 33 HB2 GLU 33 -21.991 5.958 5.958 255 1HG GLU 33 HG1 GLU 33 -24.524 5.206 5.206 256 2HG GLU 33 HG2 GLU 33 -24.450 6.125 6.125 257 H LEU 34 HN LEU 34 -21.703 7.215 7.215 258 HA LEU 34 HA LEU 34 -21.321 6.001 6.001 259 1HB LEU 34 HB1 LEU 34 -24.147 6.490 6.490 260 2HB LEU 34 HB2 LEU 34 -23.854 4.918 4.918 261 HG LEU 34 HG LEU 34 -22.960 7.615 7.615 262 1HD1 LEU 34 HD11 LEU 34 -25.180 6.586 6.586 263 2HD1 LEU 34 HD13 LEU 34 -24.255 5.353 5.353 264 3HD1 LEU 34 HD12 LEU 34 -24.121 7.045 7.045 265 1HD2 LEU 34 HD21 LEU 34 -21.661 4.986 4.986 266 2HD2 LEU 34 HD23 LEU 34 -20.973 6.610 6.610 267 3HD2 LEU 34 HD22 LEU 34 -21.863 6.004 6.004 268 H VAL 35 HN VAL 35 -20.565 4.634 4.634 269 HA VAL 35 HA VAL 35 -21.836 2.030 2.030 270 HB VAL 35 HB VAL 35 -19.308 2.973 2.973 271 1HG1 VAL 35 HG13 VAL 35 -20.505 0.398 0.398 272 2HG1 VAL 35 HG12 VAL 35 -20.626 0.924 0.924 273 3HG1 VAL 35 HG11 VAL 35 -19.052 0.863 0.863 274 1HG2 VAL 35 HG22 VAL 35 -22.191 3.052 3.052 275 2HG2 VAL 35 HG21 VAL 35 -20.990 4.343 4.343 276 3HG2 VAL 35 HG23 VAL 35 -20.893 3.010 3.010 277 H HIS 36 HN HIS 36 -21.094 0.180 0.180 278 HA HIS 36 HA HIS 36 -19.496 0.227 0.227 279 1HB HIS 36 HB2 HIS 36 -21.110 -1.618 -1.618 280 2HB HIS 36 HB1 HIS 36 -19.543 -2.308 -2.308 281 HD2 HIS 36 HD2 HIS 36 -21.783 -1.636 -1.636 282 HE1 HIS 36 HE1 HIS 36 -18.439 -3.947 -3.947 283 HE2 HIS 36 HE2 HIS 36 -20.752 -3.148 -3.148 284 HA PRO 37 HA PRO 37 -15.340 0.412 0.412 285 1HB PRO 37 HB1 PRO 37 -14.091 -0.908 -0.908 286 2HB PRO 37 HB2 PRO 37 -14.659 0.760 0.760 287 1HG PRO 37 HG1 PRO 37 -15.962 -1.761 -1.761 288 2HG PRO 37 HG2 PRO 37 -15.818 -0.194 -0.194 289 1HD PRO 37 HD2 PRO 37 -18.091 -0.949 -0.949 290 2HD PRO 37 HD1 PRO 37 -17.551 0.744 0.744 291 H ASP 38 HN ASP 38 -16.643 -2.687 -2.687 292 HA ASP 38 HA ASP 38 -14.692 -4.125 -4.125 293 1HB ASP 38 HB2 ASP 38 -16.053 -4.697 -4.697 294 2HB ASP 38 HB1 ASP 38 -16.550 -5.895 -5.895 295 H ALA 39 HN ALA 39 -16.772 -2.516 -2.516 296 HA ALA 39 HA ALA 39 -18.785 -4.313 -4.313 297 1HB ALA 39 HB3 ALA 39 -18.214 -1.455 -1.455 298 2HB ALA 39 HB2 ALA 39 -18.829 -2.117 -2.117 299 3HB ALA 39 HB1 ALA 39 -19.759 -2.306 -2.306 300 H LEU 40 HN LEU 40 -16.790 -5.744 -5.744 301 HA LEU 40 HA LEU 40 -15.239 -5.237 -5.237 302 1HB LEU 40 HB1 LEU 40 -16.402 -7.880 -7.880 303 2HB LEU 40 HB2 LEU 40 -15.046 -7.683 -7.683 304 HG LEU 40 HG LEU 40 -14.013 -6.378 -6.378 305 1HD1 LEU 40 HD22 LEU 40 -16.421 -7.444 -7.444 306 2HD1 LEU 40 HD21 LEU 40 -15.044 -8.233 -8.233 307 3HD1 LEU 40 HD23 LEU 40 -15.180 -6.474 -6.474 308 1HD2 LEU 40 HD13 LEU 40 -14.110 -9.268 -9.268 309 2HD2 LEU 40 HD12 LEU 40 -12.750 -8.145 -8.145 310 3HD2 LEU 40 HD11 LEU 40 -13.337 -8.791 -8.791 311 H ASN 41 HN ASN 41 -15.948 -7.417 -7.417 312 HA ASN 41 HA ASN 41 -18.084 -6.103 -6.103 313 1HB ASN 41 HB1 ASN 41 -17.172 -8.616 -8.616 314 2HB ASN 41 HB2 ASN 41 -17.132 -6.992 -6.992 315 1HD2 ASN 41 HD22 ASN 41 -13.870 -6.297 -6.297 316 2HD2 ASN 41 HD21 ASN 41 -15.438 -5.579 -5.579 317 H ARG 42 HN ARG 42 -19.025 -7.039 -7.039 318 HA ARG 42 HA ARG 42 -20.951 -8.046 -8.046 319 1HB ARG 42 HB1 ARG 42 -21.371 -8.322 -8.322 320 2HB ARG 42 HB2 ARG 42 -20.919 -9.993 -9.993 321 1HG ARG 42 HG1 ARG 42 -22.831 -9.098 -9.098 322 2HG ARG 42 HG2 ARG 42 -23.432 -8.825 -8.825 323 1HD ARG 42 HD1 ARG 42 -22.901 -11.178 -11.178 324 2HD ARG 42 HD2 ARG 42 -22.418 -11.429 -11.429 325 HE ARG 42 HE ARG 42 -24.992 -10.411 -10.411 326 1HH1 ARG 42 HH11 ARG 42 -23.367 -13.238 -13.238 327 2HH1 ARG 42 HH12 ARG 42 -24.752 -14.265 -14.265 328 1HH2 ARG 42 HH21 ARG 42 -26.821 -11.755 -11.755 329 2HH2 ARG 42 HH22 ARG 42 -26.716 -13.422 -13.422 330 H PHE 43 HN PHE 43 -17.985 -9.441 -9.441 331 HA PHE 43 HA PHE 43 -17.499 -10.855 -10.855 332 1HB PHE 43 HB2 PHE 43 -19.552 -12.256 -12.256 333 2HB PHE 43 HB1 PHE 43 -18.162 -13.270 -13.270 334 HD1 PHE 43 HD1 PHE 43 -17.367 -12.268 -12.268 335 HD2 PHE 43 HD2 PHE 43 -21.247 -12.988 -12.988 336 HE1 PHE 43 HE1 PHE 43 -18.243 -12.629 -12.629 337 HE2 PHE 43 HE2 PHE 43 -22.131 -13.349 -13.349 338 HZ PHE 43 HZ PHE 43 -20.629 -13.164 -13.164 339 H GLY 44 HN GLY 44 -15.931 -9.628 -9.628 340 1HA GLY 44 HA2 GLY 44 -14.225 -11.833 -11.833 341 2HA GLY 44 HA1 GLY 44 -14.684 -10.599 -10.599 342 H LYS 45 HN LYS 45 -13.561 -8.726 -8.726 343 HA LYS 45 HA LYS 45 -11.225 -8.533 -8.533 344 1HB LYS 45 HB2 LYS 45 -11.961 -7.369 -7.369 345 2HB LYS 45 HB1 LYS 45 -10.696 -6.617 -6.617 346 1HG LYS 45 HG2 LYS 45 -9.340 -8.541 -8.541 347 2HG LYS 45 HG1 LYS 45 -10.663 -9.534 -9.534 348 1HD LYS 45 HD2 LYS 45 -10.289 -8.911 -8.911 349 2HD LYS 45 HD1 LYS 45 -10.097 -7.213 -7.213 350 1HE LYS 45 HE1 LYS 45 -7.807 -8.109 -8.109 351 2HE LYS 45 HE2 LYS 45 -8.058 -9.364 -9.364 352 1HZ LYS 45 HZ3 LYS 45 -8.250 -7.634 -7.634 353 2HZ LYS 45 HZ2 LYS 45 -7.981 -6.441 -6.441 354 3HZ LYS 45 HZ1 LYS 45 -6.758 -7.547 -7.547 355 H THR 46 HN THR 46 -10.611 -6.524 -6.524 356 HA THR 46 HA THR 46 -12.892 -5.099 -5.099 357 HB THR 46 HB THR 46 -10.865 -3.859 -3.859 358 HG1 THR 46 HG1 THR 46 -9.709 -6.369 -6.369 359 1HG2 THR 46 HG23 THR 46 -12.553 -5.414 -5.414 360 2HG2 THR 46 HG22 THR 46 -11.393 -6.710 -6.710 361 3HG2 THR 46 HG21 THR 46 -10.961 -5.357 -5.357 362 H ALA 47 HN ALA 47 -13.349 -2.944 -2.944 363 HA ALA 47 HA ALA 47 -12.891 -1.730 -1.730 364 1HB ALA 47 HB2 ALA 47 -14.076 -0.962 -0.962 365 2HB ALA 47 HB1 ALA 47 -13.336 0.399 0.399 366 3HB ALA 47 HB3 ALA 47 -14.572 -0.570 -0.570 367 H LEU 48 HN LEU 48 -10.853 -1.859 -1.859 368 HA LEU 48 HA LEU 48 -9.275 0.446 0.446 369 1HB LEU 48 HB1 LEU 48 -9.466 -1.450 -1.450 370 2HB LEU 48 HB2 LEU 48 -7.819 -1.529 -1.529 371 HG LEU 48 HG LEU 48 -9.179 1.019 1.019 372 1HD1 LEU 48 HD11 LEU 48 -7.264 -0.770 -0.770 373 2HD1 LEU 48 HD13 LEU 48 -7.772 0.837 0.837 374 3HD1 LEU 48 HD12 LEU 48 -8.953 -0.467 -0.467 375 1HD2 LEU 48 HD23 LEU 48 -7.130 0.886 0.886 376 2HD2 LEU 48 HD22 LEU 48 -7.222 2.113 2.113 377 3HD2 LEU 48 HD21 LEU 48 -6.236 0.671 0.671 378 H GLN 49 HN GLN 49 -8.328 -2.992 -2.992 379 HA GLN 49 HA GLN 49 -5.997 -2.701 -2.701 380 1HB GLN 49 HB2 GLN 49 -7.150 -4.785 -4.785 381 2HB GLN 49 HB1 GLN 49 -7.677 -5.119 -5.119 382 1HG GLN 49 HG1 GLN 49 -5.294 -5.003 -5.003 383 2HG GLN 49 HG2 GLN 49 -4.848 -4.863 -4.863 384 1HE2 GLN 49 HE22 GLN 49 -4.410 -8.359 -8.359 385 2HE2 GLN 49 HE21 GLN 49 -3.620 -6.834 -6.834 386 H VAL 50 HN VAL 50 -9.306 -3.038 -3.038 387 HA VAL 50 HA VAL 50 -8.535 -3.221 -3.221 388 HB VAL 50 HB VAL 50 -10.954 -2.972 -2.972 389 1HG1 VAL 50 HG12 VAL 50 -9.646 -5.080 -5.080 390 2HG1 VAL 50 HG11 VAL 50 -11.280 -4.962 -4.962 391 3HG1 VAL 50 HG13 VAL 50 -11.039 -5.172 -5.172 392 1HG2 VAL 50 HG21 VAL 50 -10.946 -1.941 -1.941 393 2HG2 VAL 50 HG23 VAL 50 -12.212 -1.868 -1.868 394 3HG2 VAL 50 HG22 VAL 50 -12.097 -3.268 -3.268 395 H MET 51 HN MET 51 -9.043 -0.675 -0.675 396 HA MET 51 HA MET 51 -9.945 1.369 1.369 397 1HB MET 51 HB1 MET 51 -9.767 2.644 2.644 398 2HB MET 51 HB2 MET 51 -9.293 1.168 1.168 399 1HG MET 51 HG2 MET 51 -6.899 1.818 1.818 400 2HG MET 51 HG1 MET 51 -7.597 3.423 3.423 401 1HE MET 51 HE1 MET 51 -5.383 1.890 1.890 402 2HE MET 51 HE3 MET 51 -5.260 3.532 3.532 403 3HE MET 51 HE2 MET 51 -5.558 2.185 2.185 404 H MET 52 HN MET 52 -8.919 2.896 2.896 405 HA MET 52 HA MET 52 -6.418 2.081 2.081 406 1HB MET 52 HB1 MET 52 -6.751 3.875 3.875 407 2HB MET 52 HB2 MET 52 -8.292 3.062 3.062 408 1HG MET 52 HG1 MET 52 -9.063 5.155 5.155 409 2HG MET 52 HG2 MET 52 -8.491 4.988 4.988 410 1HE MET 52 HE3 MET 52 -7.938 5.976 5.976 411 2HE MET 52 HE2 MET 52 -7.359 7.636 7.636 412 3HE MET 52 HE1 MET 52 -6.208 6.314 6.314 413 H PHE 53 HN PHE 53 -4.508 2.569 2.569 414 HA PHE 53 HA PHE 53 -4.183 4.507 4.507 415 1HB PHE 53 HB2 PHE 53 -2.146 2.969 2.969 416 2HB PHE 53 HB1 PHE 53 -1.747 3.985 3.985 417 HD1 PHE 53 HD2 PHE 53 -3.828 1.059 1.059 418 HD2 PHE 53 HD1 PHE 53 -1.731 3.086 3.086 419 HE1 PHE 53 HE2 PHE 53 -4.237 -0.845 -0.845 420 HE2 PHE 53 HE1 PHE 53 -2.138 1.184 1.184 421 HZ PHE 53 HZ PHE 53 -3.392 -0.782 -0.782 422 H GLY 54 HN GLY 54 -5.288 6.072 6.072 423 1HA GLY 54 HA2 GLY 54 -3.084 7.607 7.607 424 2HA GLY 54 HA1 GLY 54 -4.667 7.463 7.463 425 H SER 55 HN SER 55 -6.400 7.901 7.901 426 HA SER 55 HA SER 55 -6.056 10.728 10.728 427 1HB SER 55 HB1 SER 55 -8.329 8.876 8.876 428 2HB SER 55 HB2 SER 55 -8.357 10.636 10.636 429 HG SER 55 HG SER 55 -8.406 10.784 10.784 430 HA PRO 56 HA PRO 56 -4.316 10.099 10.099 431 1HB PRO 56 HB2 PRO 56 -4.357 12.697 12.697 432 2HB PRO 56 HB1 PRO 56 -3.167 12.058 12.058 433 1HG PRO 56 HG2 PRO 56 -5.681 13.591 13.591 434 2HG PRO 56 HG1 PRO 56 -4.080 13.770 13.770 435 1HD PRO 56 HD1 PRO 56 -6.109 12.441 12.441 436 2HD PRO 56 HD2 PRO 56 -4.405 11.997 11.997 437 H ALA 57 HN ALA 57 -7.227 12.060 12.060 438 HA ALA 57 HA ALA 57 -8.086 12.088 12.088 439 1HB ALA 57 HB3 ALA 57 -9.181 12.827 12.827 440 2HB ALA 57 HB2 ALA 57 -10.405 12.220 12.220 441 3HB ALA 57 HB1 ALA 57 -9.392 13.586 13.586 442 H VAL 58 HN VAL 58 -8.682 9.811 9.811 443 HA VAL 58 HA VAL 58 -10.648 8.275 8.275 444 HB VAL 58 HB VAL 58 -10.294 6.644 6.644 445 1HG1 VAL 58 HG21 VAL 58 -9.597 9.336 9.336 446 2HG1 VAL 58 HG23 VAL 58 -10.181 7.955 7.955 447 3HG1 VAL 58 HG22 VAL 58 -11.217 8.703 8.703 448 1HG2 VAL 58 HG13 VAL 58 -7.529 7.422 7.422 449 2HG2 VAL 58 HG12 VAL 58 -8.224 5.933 5.933 450 3HG2 VAL 58 HG11 VAL 58 -8.024 7.332 7.332 451 H ALA 59 HN ALA 59 -7.161 8.271 8.271 452 HA ALA 59 HA ALA 59 -6.818 5.751 5.751 453 1HB ALA 59 HB1 ALA 59 -5.190 8.015 8.015 454 2HB ALA 59 HB3 ALA 59 -4.841 7.482 7.482 455 3HB ALA 59 HB2 ALA 59 -4.704 6.346 6.346 456 H LEU 60 HN LEU 60 -6.810 8.972 8.972 457 HA LEU 60 HA LEU 60 -6.899 8.004 8.004 458 1HB LEU 60 HB2 LEU 60 -6.168 10.261 10.261 459 2HB LEU 60 HB1 LEU 60 -7.764 10.666 10.666 460 HG LEU 60 HG LEU 60 -7.341 9.819 9.819 461 1HD1 LEU 60 HD12 LEU 60 -6.496 12.291 12.291 462 2HD1 LEU 60 HD11 LEU 60 -7.613 12.552 12.552 463 3HD1 LEU 60 HD13 LEU 60 -6.117 11.656 11.656 464 1HD2 LEU 60 HD21 LEU 60 -9.521 11.016 11.016 465 2HD2 LEU 60 HD23 LEU 60 -9.593 9.822 9.822 466 3HD2 LEU 60 HD22 LEU 60 -9.365 11.527 11.527 467 H GLU 61 HN GLU 61 -9.436 8.892 8.892 468 HA GLU 61 HA GLU 61 -11.601 8.838 8.838 469 1HB GLU 61 HB2 GLU 61 -11.387 8.441 8.441 470 2HB GLU 61 HB1 GLU 61 -12.931 8.315 8.315 471 1HG GLU 61 HG2 GLU 61 -13.141 10.500 10.500 472 2HG GLU 61 HG1 GLU 61 -11.853 10.695 10.695 473 H LEU 62 HN LEU 62 -10.707 6.343 6.343 474 HA LEU 62 HA LEU 62 -12.396 4.362 4.362 475 1HB LEU 62 HB2 LEU 62 -10.360 4.570 4.570 476 2HB LEU 62 HB1 LEU 62 -10.275 3.029 3.029 477 HG LEU 62 HG LEU 62 -12.717 4.156 4.156 478 1HD1 LEU 62 HD11 LEU 62 -10.609 2.206 2.206 479 2HD1 LEU 62 HD13 LEU 62 -12.259 2.001 2.001 480 3HD1 LEU 62 HD12 LEU 62 -11.377 3.487 3.487 481 1HD2 LEU 62 HD21 LEU 62 -13.259 2.776 2.776 482 2HD2 LEU 62 HD23 LEU 62 -13.744 2.008 2.008 483 3HD2 LEU 62 HD22 LEU 62 -12.291 1.463 1.463 484 H LEU 63 HN LEU 63 -8.946 5.005 5.005 485 HA LEU 63 HA LEU 63 -8.426 2.790 2.790 486 1HB LEU 63 HB2 LEU 63 -6.722 4.235 4.235 487 2HB LEU 63 HB1 LEU 63 -7.040 5.467 5.467 488 HG LEU 63 HG LEU 63 -6.473 3.416 3.416 489 1HD1 LEU 63 HD23 LEU 63 -4.990 2.864 2.864 490 2HD1 LEU 63 HD22 LEU 63 -4.479 2.253 2.253 491 3HD1 LEU 63 HD21 LEU 63 -6.038 1.771 1.771 492 1HD2 LEU 63 HD13 LEU 63 -5.434 5.660 5.660 493 2HD2 LEU 63 HD12 LEU 63 -4.275 4.366 4.366 494 3HD2 LEU 63 HD11 LEU 63 -4.374 5.102 5.102 495 H LYS 64 HN LYS 64 -9.152 6.175 6.175 496 HA LYS 64 HA LYS 64 -9.112 5.793 5.793 497 1HB LYS 64 HB1 LYS 64 -9.016 8.003 8.003 498 2HB LYS 64 HB2 LYS 64 -10.720 7.833 7.833 499 1HG LYS 64 HG1 LYS 64 -11.320 7.867 7.867 500 2HG LYS 64 HG2 LYS 64 -9.619 7.874 7.874 501 1HD LYS 64 HD1 LYS 64 -9.955 10.105 10.105 502 2HD LYS 64 HD2 LYS 64 -9.657 10.026 10.026 503 1HE LYS 64 HE2 LYS 64 -11.666 10.901 10.901 504 2HE LYS 64 HE1 LYS 64 -12.382 9.451 9.451 505 1HZ LYS 64 HZ2 LYS 64 -12.087 10.553 10.553 506 2HZ LYS 64 HZ1 LYS 64 -11.681 11.975 11.975 507 3HZ LYS 64 HZ3 LYS 64 -13.218 11.293 11.293 508 H GLN 65 HN GLN 65 -11.674 5.451 5.451 509 HA GLN 65 HA GLN 65 -13.969 5.376 5.376 510 1HB GLN 65 HB2 GLN 65 -13.292 4.522 4.522 511 2HB GLN 65 HB1 GLN 65 -13.504 2.961 2.961 512 1HG GLN 65 HG2 GLN 65 -15.493 4.996 4.996 513 2HG GLN 65 HG1 GLN 65 -15.623 3.238 3.238 514 1HE2 GLN 65 HE22 GLN 65 -17.095 3.106 3.106 515 2HE2 GLN 65 HE21 GLN 65 -16.478 2.261 2.261 516 H GLY 66 HN GLY 66 -11.906 2.472 2.472 517 1HA GLY 66 HA1 GLY 66 -11.740 1.742 1.742 518 2HA GLY 66 HA2 GLY 66 -13.314 1.141 1.141 519 H ALA 67 HN ALA 67 -12.203 0.733 0.733 520 HA ALA 67 HA ALA 67 -11.678 -1.984 -1.984 521 1HB ALA 67 HB3 ALA 67 -10.893 -0.005 -0.005 522 2HB ALA 67 HB2 ALA 67 -10.806 -1.757 -1.757 523 3HB ALA 67 HB1 ALA 67 -12.366 -0.974 -0.974 524 H SER 68 HN SER 68 -9.816 -3.236 -3.236 525 HA SER 68 HA SER 68 -7.426 -1.921 -1.921 526 1HB SER 68 HB1 SER 68 -8.722 -4.345 -4.345 527 2HB SER 68 HB2 SER 68 -7.201 -4.793 -4.793 528 HG SER 68 HG SER 68 -6.313 -4.349 -4.349 529 HA PRO 69 HA PRO 69 -5.655 -2.236 -2.236 530 1HB PRO 69 HB2 PRO 69 -3.237 -1.182 -1.182 531 2HB PRO 69 HB1 PRO 69 -4.683 -0.194 -0.194 532 1HG PRO 69 HG1 PRO 69 -3.442 -1.150 -1.150 533 2HG PRO 69 HG2 PRO 69 -4.101 0.449 0.449 534 1HD PRO 69 HD1 PRO 69 -5.484 -1.380 -1.380 535 2HD PRO 69 HD2 PRO 69 -6.279 -0.223 -0.223 536 H ASN 70 HN ASN 70 -4.483 -3.648 -3.648 537 HA ASN 70 HA ASN 70 -2.287 -5.079 -5.079 538 1HB ASN 70 HB2 ASN 70 -3.713 -6.130 -6.130 539 2HB ASN 70 HB1 ASN 70 -1.985 -5.953 -5.953 540 1HD2 ASN 70 HD22 ASN 70 -1.727 -2.897 -2.897 541 2HD2 ASN 70 HD21 ASN 70 -0.961 -4.230 -4.230 542 H VAL 71 HN VAL 71 -3.586 -5.765 -5.765 543 HA VAL 71 HA VAL 71 -4.889 -8.351 -8.351 544 HB VAL 71 HB VAL 71 -6.246 -7.988 -7.988 545 1HG1 VAL 71 HG21 VAL 71 -6.533 -6.032 -6.032 546 2HG1 VAL 71 HG23 VAL 71 -7.764 -6.270 -6.270 547 3HG1 VAL 71 HG22 VAL 71 -7.310 -7.604 -7.604 548 1HG2 VAL 71 HG12 VAL 71 -4.672 -6.280 -6.280 549 2HG2 VAL 71 HG11 VAL 71 -6.382 -5.861 -5.861 550 3HG2 VAL 71 HG13 VAL 71 -5.353 -5.119 -5.119 551 H GLN 72 HN GLN 72 -4.429 -10.053 -10.053 552 HA GLN 72 HA GLN 72 -2.413 -9.563 -9.563 553 1HB GLN 72 HB1 GLN 72 -2.277 -11.791 -11.791 554 2HB GLN 72 HB2 GLN 72 -1.152 -11.536 -11.536 555 1HG GLN 72 HG1 GLN 72 -0.314 -9.547 -9.547 556 2HG GLN 72 HG2 GLN 72 -1.609 -9.511 -9.511 557 1HE2 GLN 72 HE22 GLN 72 0.705 -10.872 -10.872 558 2HE2 GLN 72 HE21 GLN 72 -0.244 -9.503 -9.503 559 H ASP 73 HN ASP 73 -2.749 -10.631 -10.631 560 HA ASP 73 HA ASP 73 -5.037 -12.460 -12.460 561 1HB ASP 73 HB2 ASP 73 -4.950 -12.045 -12.045 562 2HB ASP 73 HB1 ASP 73 -3.600 -10.946 -10.946 563 H ALA 74 HN ALA 74 -4.549 -13.862 -13.862 564 HA ALA 74 HA ALA 74 -3.270 -16.107 -16.107 565 1HB ALA 74 HB3 ALA 74 -3.614 -14.768 -14.768 566 2HB ALA 74 HB2 ALA 74 -2.557 -16.179 -16.179 567 3HB ALA 74 HB1 ALA 74 -4.245 -16.311 -16.311 568 H SER 75 HN SER 75 -1.525 -13.829 -13.829 569 HA SER 75 HA SER 75 1.010 -14.894 -14.894 570 1HB SER 75 HB1 SER 75 1.002 -12.022 -12.022 571 2HB SER 75 HB2 SER 75 1.708 -13.362 -13.362 572 HG SER 75 HG SER 75 -0.365 -12.027 -12.027 573 H GLY 76 HN GLY 76 -0.821 -12.396 -12.396 574 1HA GLY 76 HA2 GLY 76 -0.541 -11.835 -11.835 575 2HA GLY 76 HA1 GLY 76 1.062 -12.553 -12.553 576 H THR 77 HN THR 77 -0.460 -10.032 -10.032 577 HA THR 77 HA THR 77 1.795 -8.271 -8.271 578 HB THR 77 HB THR 77 0.403 -7.335 -7.335 579 HG1 THR 77 HG1 THR 77 -0.282 -9.367 -9.367 580 1HG2 THR 77 HG23 THR 77 3.063 -7.742 -7.742 581 2HG2 THR 77 HG22 THR 77 2.863 -8.562 -8.562 582 3HG2 THR 77 HG21 THR 77 2.479 -6.847 -6.847 583 H SER 78 HN SER 78 0.506 -7.712 -7.712 584 HA SER 78 HA SER 78 -1.974 -6.618 -6.618 585 1HB SER 78 HB2 SER 78 -0.134 -4.974 -4.974 586 2HB SER 78 HB1 SER 78 -1.354 -6.115 -6.115 587 HG SER 78 HG SER 78 0.925 -6.601 -6.601 588 HA PRO 79 HA PRO 79 -2.475 -2.754 -2.754 589 1HB PRO 79 HB1 PRO 79 -2.606 -0.933 -0.933 590 2HB PRO 79 HB2 PRO 79 -3.966 -1.785 -1.785 591 1HG PRO 79 HG1 PRO 79 -2.431 -2.431 -2.431 592 2HG PRO 79 HG2 PRO 79 -4.157 -2.651 -2.651 593 1HD PRO 79 HD1 PRO 79 -2.471 -4.724 -4.724 594 2HD PRO 79 HD2 PRO 79 -3.794 -4.617 -4.617 595 H VAL 80 HN VAL 80 -0.098 -2.753 -2.753 596 HA VAL 80 HA VAL 80 1.292 -0.433 -0.433 597 HB VAL 80 HB VAL 80 1.574 -2.470 -2.470 598 1HG1 VAL 80 HG13 VAL 80 4.131 -1.831 -1.831 599 2HG1 VAL 80 HG12 VAL 80 4.063 -2.491 -2.491 600 3HG1 VAL 80 HG11 VAL 80 3.422 -3.421 -3.421 601 1HG2 VAL 80 HG23 VAL 80 1.440 0.117 0.117 602 2HG2 VAL 80 HG22 VAL 80 2.397 -0.741 -0.741 603 3HG2 VAL 80 HG21 VAL 80 3.196 0.036 0.036 604 H HIS 81 HN HIS 81 2.009 -3.864 -3.864 605 HA HIS 81 HA HIS 81 4.278 -3.542 -3.542 606 1HB HIS 81 HB1 HIS 81 2.092 -5.612 -5.612 607 2HB HIS 81 HB2 HIS 81 3.492 -5.709 -5.709 608 HD2 HIS 81 HD2 HIS 81 6.014 -5.719 -5.719 609 HE1 HIS 81 HE1 HIS 81 4.080 -7.678 -7.678 610 HE2 HIS 81 HE2 HIS 81 6.311 -6.918 -6.918 611 H ASP 82 HN ASP 82 0.919 -3.787 -3.787 612 HA ASP 82 HA ASP 82 1.507 -3.344 -3.344 613 1HB ASP 82 HB1 ASP 82 -1.028 -2.735 -2.735 614 2HB ASP 82 HB2 ASP 82 -0.639 -4.249 -4.249 615 H ALA 83 HN ALA 83 0.397 -1.048 -1.048 616 HA ALA 83 HA ALA 83 0.286 1.245 1.245 617 1HB ALA 83 HB2 ALA 83 -0.248 0.782 0.782 618 2HB ALA 83 HB1 ALA 83 1.362 1.462 1.462 619 3HB ALA 83 HB3 ALA 83 0.111 2.409 2.409 620 H ALA 84 HN ALA 84 3.072 -0.420 -0.420 621 HA ALA 84 HA ALA 84 4.931 1.706 1.706 622 1HB ALA 84 HB3 ALA 84 5.299 -1.263 -1.263 623 2HB ALA 84 HB2 ALA 84 6.638 -0.121 -0.121 624 3HB ALA 84 HB1 ALA 84 5.488 -0.005 -0.005 625 H ARG 85 HN ARG 85 4.811 -1.408 -1.408 626 HA ARG 85 HA ARG 85 6.384 -0.562 -0.562 627 1HB ARG 85 HB2 ARG 85 6.207 -2.876 -2.876 628 2HB ARG 85 HB1 ARG 85 4.455 -2.825 -2.825 629 1HG ARG 85 HG1 ARG 85 4.138 -2.857 -2.857 630 2HG ARG 85 HG2 ARG 85 5.585 -1.902 -1.902 631 1HD ARG 85 HD1 ARG 85 6.811 -3.723 -3.723 632 2HD ARG 85 HD2 ARG 85 6.243 -4.488 -4.488 633 HE ARG 85 HE ARG 85 4.678 -5.647 -5.647 634 1HH1 ARG 85 HH11 ARG 85 6.097 -3.151 -3.151 635 2HH1 ARG 85 HH12 ARG 85 5.383 -3.727 -3.727 636 1HH2 ARG 85 HH21 ARG 85 3.731 -6.413 -6.413 637 2HH2 ARG 85 HH22 ARG 85 4.036 -5.580 -5.580 638 H THR 86 HN THR 86 3.100 0.089 0.089 639 HA THR 86 HA THR 86 2.190 0.481 0.481 640 HB THR 86 HB THR 86 0.351 1.818 1.818 641 HG1 THR 86 HG1 THR 86 1.129 2.260 2.260 642 1HG2 THR 86 HG21 THR 86 0.787 -0.996 -0.996 643 2HG2 THR 86 HG23 THR 86 -0.053 -0.631 -0.631 644 3HG2 THR 86 HG22 THR 86 -0.727 -0.092 -0.092 645 H GLY 87 HN GLY 87 3.854 2.436 2.436 646 1HA GLY 87 HA2 GLY 87 4.934 4.456 4.456 647 2HA GLY 87 HA1 GLY 87 4.420 4.437 4.437 648 H PHE 88 HN PHE 88 3.270 5.048 5.048 649 HA PHE 88 HA PHE 88 1.842 7.385 7.385 650 1HB PHE 88 HB2 PHE 88 0.393 4.951 4.951 651 2HB PHE 88 HB1 PHE 88 -0.304 6.564 6.564 652 HD1 PHE 88 HD1 PHE 88 0.788 3.907 3.907 653 HD2 PHE 88 HD2 PHE 88 -1.176 7.674 7.674 654 HE1 PHE 88 HE1 PHE 88 -0.054 3.690 3.690 655 HE2 PHE 88 HE2 PHE 88 -2.023 7.464 7.464 656 HZ PHE 88 HZ PHE 88 -1.462 5.471 5.471 657 H LEU 89 HN LEU 89 3.843 7.726 7.726 658 HA LEU 89 HA LEU 89 3.827 7.257 7.257 659 1HB LEU 89 HB1 LEU 89 5.095 9.188 9.188 660 2HB LEU 89 HB2 LEU 89 4.926 9.762 9.762 661 HG LEU 89 HG LEU 89 6.406 7.308 7.308 662 1HD1 LEU 89 HD12 LEU 89 7.348 9.750 9.750 663 2HD1 LEU 89 HD11 LEU 89 7.543 9.495 9.495 664 3HD1 LEU 89 HD13 LEU 89 8.342 8.418 8.418 665 1HD2 LEU 89 HD21 LEU 89 5.051 7.652 7.652 666 2HD2 LEU 89 HD23 LEU 89 6.199 6.387 6.387 667 3HD2 LEU 89 HD22 LEU 89 6.768 7.866 7.866 668 H ASP 90 HN ASP 90 1.720 9.288 9.288 669 HA ASP 90 HA ASP 90 1.096 11.262 11.262 670 1HB ASP 90 HB2 ASP 90 -0.954 11.584 11.584 671 2HB ASP 90 HB1 ASP 90 -0.889 9.948 9.948 672 H THR 91 HN THR 91 -0.986 8.448 8.448 673 HA THR 91 HA THR 91 -2.333 8.643 8.643 674 HB THR 91 HB THR 91 -3.042 7.449 7.449 675 HG1 THR 91 HG1 THR 91 -4.576 6.465 6.465 676 1HG2 THR 91 HG23 THR 91 -1.685 5.180 5.180 677 2HG2 THR 91 HG22 THR 91 -2.784 5.026 5.026 678 3HG2 THR 91 HG21 THR 91 -1.234 5.844 5.844 679 H LEU 92 HN LEU 92 0.453 6.829 6.829 680 HA LEU 92 HA LEU 92 0.778 5.019 5.019 681 1HB LEU 92 HB1 LEU 92 2.230 5.735 5.735 682 2HB LEU 92 HB2 LEU 92 3.251 6.334 6.334 683 HG LEU 92 HG LEU 92 2.384 3.645 3.645 684 1HD1 LEU 92 HD11 LEU 92 3.475 4.188 4.188 685 2HD1 LEU 92 HD13 LEU 92 3.899 2.699 2.699 686 3HD1 LEU 92 HD12 LEU 92 2.209 3.067 3.067 687 1HD2 LEU 92 HD21 LEU 92 4.581 5.285 5.285 688 2HD2 LEU 92 HD23 LEU 92 4.416 3.600 3.600 689 3HD2 LEU 92 HD22 LEU 92 5.181 4.000 4.000 690 H LYS 93 HN LYS 93 2.048 8.325 8.325 691 HA LYS 93 HA LYS 93 3.309 8.522 8.522 692 1HB LYS 93 HB2 LYS 93 2.355 10.337 10.337 693 2HB LYS 93 HB1 LYS 93 2.112 11.022 11.022 694 1HG LYS 93 HG2 LYS 93 4.209 11.779 11.779 695 2HG LYS 93 HG1 LYS 93 4.605 10.237 10.237 696 1HD LYS 93 HD1 LYS 93 4.465 9.349 9.349 697 2HD LYS 93 HD2 LYS 93 4.766 11.042 11.042 698 1HE LYS 93 HE2 LYS 93 6.519 9.075 9.075 699 2HE LYS 93 HE1 LYS 93 6.909 10.207 10.207 700 1HZ LYS 93 HZ1 LYS 93 6.538 12.005 12.005 701 2HZ LYS 93 HZ3 LYS 93 6.561 10.782 10.782 702 3HZ LYS 93 HZ2 LYS 93 7.923 11.057 11.057 703 H VAL 94 HN VAL 94 -0.094 8.904 8.904 704 HA VAL 94 HA VAL 94 -0.866 9.794 9.794 705 HB VAL 94 HB VAL 94 -2.564 8.690 8.690 706 1HG1 VAL 94 HG23 VAL 94 -3.244 9.105 9.105 707 2HG1 VAL 94 HG22 VAL 94 -3.894 10.496 10.496 708 3HG1 VAL 94 HG21 VAL 94 -4.346 8.862 8.862 709 1HG2 VAL 94 HG13 VAL 94 -1.257 11.231 11.231 710 2HG2 VAL 94 HG12 VAL 94 -2.143 10.628 10.628 711 3HG2 VAL 94 HG11 VAL 94 -3.008 11.425 11.425 712 H LEU 95 HN LEU 95 -1.747 6.796 6.796 713 HA LEU 95 HA LEU 95 -2.599 5.520 5.520 714 1HB LEU 95 HB1 LEU 95 -2.954 3.560 3.560 715 2HB LEU 95 HB2 LEU 95 -3.614 4.999 4.999 716 HG LEU 95 HG LEU 95 -1.269 5.013 5.013 717 1HD1 LEU 95 HD22 LEU 95 -0.894 2.780 2.780 718 2HD1 LEU 95 HD21 LEU 95 -1.547 2.089 2.089 719 3HD1 LEU 95 HD23 LEU 95 -0.100 3.096 3.096 720 1HD2 LEU 95 HD11 LEU 95 -3.792 3.549 3.549 721 2HD2 LEU 95 HD13 LEU 95 -3.081 4.947 4.947 722 3HD2 LEU 95 HD12 LEU 95 -2.417 3.337 3.337 723 H VAL 96 HN VAL 96 0.176 4.904 4.904 724 HA VAL 96 HA VAL 96 1.292 2.802 2.802 725 HB VAL 96 HB VAL 96 2.046 4.324 4.324 726 1HG1 VAL 96 HG23 VAL 96 4.185 4.521 4.521 727 2HG1 VAL 96 HG22 VAL 96 4.470 4.754 4.754 728 3HG1 VAL 96 HG21 VAL 96 3.396 5.848 5.848 729 1HG2 VAL 96 HG12 VAL 96 2.740 1.825 1.825 730 2HG2 VAL 96 HG11 VAL 96 2.592 2.225 2.225 731 3HG2 VAL 96 HG13 VAL 96 4.110 2.523 2.523 732 H GLU 97 HN GLU 97 1.289 6.169 6.169 733 HA GLU 97 HA GLU 97 3.465 6.040 6.040 734 1HB GLU 97 HB2 GLU 97 2.811 8.234 8.234 735 2HB GLU 97 HB1 GLU 97 2.591 8.143 8.143 736 1HG GLU 97 HG1 GLU 97 0.431 7.909 7.909 737 2HG GLU 97 HG2 GLU 97 0.752 9.311 9.311 738 H HIS 98 HN HIS 98 0.049 5.367 5.367 739 HA HIS 98 HA HIS 98 -0.259 5.455 5.455 740 1HB HIS 98 HB2 HIS 98 -1.848 4.731 4.731 741 2HB HIS 98 HB1 HIS 98 -1.960 3.438 3.438 742 HD2 HIS 98 HD2 HIS 98 -2.286 7.379 7.379 743 HE1 HIS 98 HE1 HIS 98 -5.196 5.518 5.518 744 HE2 HIS 98 HE2 HIS 98 -4.391 7.719 7.719 745 H GLY 99 HN GLY 99 -0.120 2.520 2.520 746 1HA GLY 99 HA2 GLY 99 1.949 1.164 1.164 747 2HA GLY 99 HA1 GLY 99 0.684 0.938 0.938 748 H ALA 100 HN ALA 100 0.255 1.133 1.133 749 HA ALA 100 HA ALA 100 -1.365 -1.189 -1.189 750 1HB ALA 100 HB2 ALA 100 -0.116 0.511 0.511 751 2HB ALA 100 HB1 ALA 100 -1.063 -0.927 -0.927 752 3HB ALA 100 HB3 ALA 100 -1.809 0.414 0.414 753 H ASP 101 HN ASP 101 0.478 -2.387 -2.387 754 HA ASP 101 HA ASP 101 2.224 -3.882 -3.882 755 1HB ASP 101 HB2 ASP 101 1.819 -5.582 -5.582 756 2HB ASP 101 HB1 ASP 101 0.294 -4.705 -4.705 757 H VAL 102 HN VAL 102 3.663 -2.004 -2.004 758 HA VAL 102 HA VAL 102 4.687 -2.142 -2.142 759 HB VAL 102 HB VAL 102 6.204 -0.433 -0.433 760 1HG1 VAL 102 HG13 VAL 102 5.421 -0.534 -0.534 761 2HG1 VAL 102 HG12 VAL 102 4.676 0.924 0.924 762 3HG1 VAL 102 HG11 VAL 102 6.420 0.693 0.693 763 1HG2 VAL 102 HG23 VAL 102 3.220 -0.164 -0.164 764 2HG2 VAL 102 HG22 VAL 102 4.326 -0.052 -0.052 765 3HG2 VAL 102 HG21 VAL 102 4.254 1.253 1.253 766 H ASN 103 HN ASN 103 5.049 -4.297 -4.297 767 HA ASN 103 HA ASN 103 7.920 -4.638 -4.638 768 1HB ASN 103 HB2 ASN 103 7.092 -5.587 -5.587 769 2HB ASN 103 HB1 ASN 103 8.520 -4.670 -4.670 770 1HD2 ASN 103 HD22 ASN 103 7.013 -1.500 -1.500 771 2HD2 ASN 103 HD21 ASN 103 8.125 -2.342 -2.342 772 H ALA 104 HN ALA 104 5.642 -5.817 -5.817 773 HA ALA 104 HA ALA 104 5.926 -8.612 -8.612 774 1HB ALA 104 HB2 ALA 104 3.549 -7.281 -7.281 775 2HB ALA 104 HB1 ALA 104 3.688 -9.014 -9.014 776 3HB ALA 104 HB3 ALA 104 3.663 -7.884 -7.884 777 H LEU 105 HN LEU 105 5.098 -10.071 -10.071 778 HA LEU 105 HA LEU 105 6.145 -9.118 -9.118 779 1HB LEU 105 HB1 LEU 105 7.256 -11.737 -11.737 780 2HB LEU 105 HB2 LEU 105 7.994 -10.403 -10.403 781 HG LEU 105 HG LEU 105 7.584 -10.165 -10.165 782 1HD1 LEU 105 HD11 LEU 105 8.706 -12.410 -12.410 783 2HD1 LEU 105 HD13 LEU 105 10.099 -11.376 -11.376 784 3HD1 LEU 105 HD12 LEU 105 9.403 -11.444 -11.444 785 1HD2 LEU 105 HD21 LEU 105 8.930 -8.732 -8.732 786 2HD2 LEU 105 HD23 LEU 105 8.657 -8.267 -8.267 787 3HD2 LEU 105 HD22 LEU 105 10.078 -9.216 -9.216 788 H ASP 106 HN ASP 106 5.837 -10.779 -10.779 789 HA ASP 106 HA ASP 106 3.228 -11.966 -11.966 790 1HB ASP 106 HB1 ASP 106 3.355 -10.934 -10.934 791 2HB ASP 106 HB2 ASP 106 3.738 -12.598 -12.598 792 H SER 107 HN SER 107 6.168 -13.248 -13.248 793 HA SER 107 HA SER 107 6.037 -15.654 -15.654 794 1HB SER 107 HB2 SER 107 6.246 -16.711 -16.711 795 2HB SER 107 HB1 SER 107 4.866 -16.853 -16.853 796 HG SER 107 HG SER 107 3.978 -15.904 -15.904 797 H THR 108 HN THR 108 7.517 -14.011 -14.011 798 HA THR 108 HA THR 108 9.895 -15.451 -15.451 799 HB THR 108 HB THR 108 10.452 -12.705 -12.705 800 HG1 THR 108 HG1 THR 108 8.160 -13.454 -13.454 801 1HG2 THR 108 HG23 THR 108 10.263 -15.222 -15.222 802 2HG2 THR 108 HG22 THR 108 9.926 -13.774 -13.774 803 3HG2 THR 108 HG21 THR 108 11.460 -13.929 -13.929 804 H GLY 109 HN GLY 109 8.776 -13.347 -13.347 805 1HA GLY 109 HA2 GLY 109 9.719 -12.789 -12.789 806 2HA GLY 109 HA1 GLY 109 11.101 -13.784 -13.784 807 H SER 110 HN SER 110 9.671 -10.823 -10.823 808 HA SER 110 HA SER 110 12.238 -9.468 -9.468 809 1HB SER 110 HB2 SER 110 10.711 -8.931 -8.931 810 2HB SER 110 HB1 SER 110 12.432 -8.730 -8.730 811 HG SER 110 HG SER 110 11.023 -11.157 -11.157 812 H LEU 111 HN LEU 111 11.697 -7.986 -7.986 813 HA LEU 111 HA LEU 111 9.292 -6.869 -6.869 814 1HB LEU 111 HB2 LEU 111 12.072 -5.761 -5.761 815 2HB LEU 111 HB1 LEU 111 10.704 -4.774 -4.774 816 HG LEU 111 HG LEU 111 10.975 -7.496 -7.496 817 1HD1 LEU 111 HD12 LEU 111 12.746 -5.155 -5.155 818 2HD1 LEU 111 HD11 LEU 111 12.286 -6.234 -6.234 819 3HD1 LEU 111 HD13 LEU 111 13.145 -6.872 -6.872 820 1HD2 LEU 111 HD22 LEU 111 9.102 -5.647 -5.647 821 2HD2 LEU 111 HD21 LEU 111 9.611 -6.684 -6.684 822 3HD2 LEU 111 HD23 LEU 111 10.243 -5.043 -5.043 823 HA PRO 112 HA PRO 112 7.740 -4.195 -4.195 824 1HB PRO 112 HB1 PRO 112 7.856 -1.989 -1.989 825 2HB PRO 112 HB2 PRO 112 6.504 -2.528 -2.528 826 1HG PRO 112 HG1 PRO 112 6.598 -3.147 -3.147 827 2HG PRO 112 HG2 PRO 112 6.020 -4.325 -4.325 828 1HD PRO 112 HD1 PRO 112 8.636 -4.204 -4.204 829 2HD PRO 112 HD2 PRO 112 7.679 -5.617 -5.617 830 H ILE 113 HN ILE 113 10.223 -2.651 -2.651 831 HA ILE 113 HA ILE 113 11.048 -0.680 -0.680 832 HB ILE 113 HB ILE 113 11.850 -0.605 -0.605 833 1HG1 ILE 113 HG12 ILE 113 14.492 -1.201 -1.201 834 2HG1 ILE 113 HG11 ILE 113 13.546 -0.400 -0.400 835 1HG2 ILE 113 HG23 ILE 113 11.833 -2.989 -2.989 836 2HG2 ILE 113 HG22 ILE 113 13.241 -3.220 -3.220 837 3HG2 ILE 113 HG21 ILE 113 13.383 -2.277 -2.277 838 1HD1 ILE 113 HD11 ILE 113 13.208 0.901 0.901 839 2HD1 ILE 113 HD13 ILE 113 14.909 0.797 0.797 840 3HD1 ILE 113 HD12 ILE 113 13.751 1.560 1.560 841 H HIS 114 HN HIS 114 12.046 -4.059 -4.059 842 HA HIS 114 HA HIS 114 14.193 -4.052 -4.052 843 1HB HIS 114 HB2 HIS 114 12.140 -6.229 -6.229 844 2HB HIS 114 HB1 HIS 114 13.688 -6.457 -6.457 845 HD2 HIS 114 HD2 HIS 114 15.667 -5.003 -5.003 846 HE1 HIS 114 HE1 HIS 114 13.883 -7.559 -7.559 847 HE2 HIS 114 HE2 HIS 114 15.946 -6.203 -6.203 848 H LEU 115 HN LEU 115 10.733 -4.412 -4.412 849 HA LEU 115 HA LEU 115 10.976 -4.873 -4.873 850 1HB LEU 115 HB1 LEU 115 8.658 -3.432 -3.432 851 2HB LEU 115 HB2 LEU 115 8.652 -4.490 -4.490 852 HG LEU 115 HG LEU 115 8.930 -5.276 -5.276 853 1HD1 LEU 115 HD13 LEU 115 6.764 -5.154 -5.154 854 2HD1 LEU 115 HD12 LEU 115 7.000 -6.799 -6.799 855 3HD1 LEU 115 HD11 LEU 115 6.724 -5.483 -5.483 856 1HD2 LEU 115 HD21 LEU 115 10.497 -6.518 -6.518 857 2HD2 LEU 115 HD23 LEU 115 9.344 -7.509 -7.509 858 3HD2 LEU 115 HD22 LEU 115 9.061 -7.145 -7.145 859 H ALA 116 HN ALA 116 10.161 -1.868 -1.868 860 HA ALA 116 HA ALA 116 10.101 -0.151 -0.151 861 1HB ALA 116 HB2 ALA 116 9.470 0.376 0.376 862 2HB ALA 116 HB1 ALA 116 11.188 0.608 0.608 863 3HB ALA 116 HB3 ALA 116 10.363 1.641 1.641 864 H ILE 117 HN ILE 117 12.822 -1.490 -1.490 865 HA ILE 117 HA ILE 117 14.828 0.226 0.226 866 HB ILE 117 HB ILE 117 14.944 -2.596 -2.596 867 1HG1 ILE 117 HG12 ILE 117 16.145 -0.137 -0.137 868 2HG1 ILE 117 HG11 ILE 117 14.433 -0.494 -0.494 869 1HG2 ILE 117 HG22 ILE 117 16.949 -1.123 -1.123 870 2HG2 ILE 117 HG21 ILE 117 17.508 -1.553 -1.553 871 3HG2 ILE 117 HG23 ILE 117 16.939 -2.810 -2.810 872 1HD1 ILE 117 HD12 ILE 117 16.260 -2.719 -2.719 873 2HD1 ILE 117 HD11 ILE 117 16.366 -1.337 -1.337 874 3HD1 ILE 117 HD13 ILE 117 14.826 -2.167 -2.167 875 H ARG 118 HN ARG 118 13.476 -2.834 -2.834 876 HA ARG 118 HA ARG 118 15.271 -3.118 -3.118 877 1HB ARG 118 HB1 ARG 118 12.568 -4.330 -4.330 878 2HB ARG 118 HB2 ARG 118 14.144 -5.048 -5.048 879 1HG ARG 118 HG1 ARG 118 14.330 -4.691 -4.691 880 2HG ARG 118 HG2 ARG 118 12.581 -4.874 -4.874 881 1HD ARG 118 HD1 ARG 118 14.432 -6.805 -6.805 882 2HD ARG 118 HD2 ARG 118 14.052 -6.977 -6.977 883 HE ARG 118 HE ARG 118 11.613 -6.782 -6.782 884 1HH1 ARG 118 HH21 ARG 118 14.386 -8.733 -8.733 885 2HH1 ARG 118 HH22 ARG 118 13.448 -10.046 -10.046 886 1HH2 ARG 118 HH11 ARG 118 10.366 -8.502 -8.502 887 2HH2 ARG 118 HH12 ARG 118 11.160 -9.914 -9.914 888 H GLU 119 HN GLU 119 12.525 -1.180 -1.180 889 HA GLU 119 HA GLU 119 11.876 -0.834 -0.834 890 1HB GLU 119 HB1 GLU 119 10.777 0.419 0.419 891 2HB GLU 119 HB2 GLU 119 10.221 0.838 0.838 892 1HG GLU 119 HG1 GLU 119 10.117 -1.960 -1.960 893 2HG GLU 119 HG2 GLU 119 9.452 -1.347 -1.347 894 H GLY 120 HN GLY 120 12.913 1.303 1.303 895 1HA GLY 120 HA1 GLY 120 14.659 2.886 2.886 896 2HA GLY 120 HA2 GLY 120 14.580 2.772 2.772 897 H HIS 121 HN HIS 121 11.717 3.200 3.200 898 HA HIS 121 HA HIS 121 10.830 5.428 5.428 899 1HB HIS 121 HB2 HIS 121 10.015 4.077 4.077 900 2HB HIS 121 HB1 HIS 121 9.399 5.703 5.703 901 HD2 HIS 121 HD2 HIS 121 8.454 2.178 2.178 902 HE1 HIS 121 HE1 HIS 121 6.592 4.537 4.537 903 HE2 HIS 121 HE2 HIS 121 6.820 2.204 2.204 904 H SER 122 HN SER 122 13.181 5.183 5.183 905 HA SER 122 HA SER 122 14.587 6.778 6.778 906 1HB SER 122 HB1 SER 122 13.233 8.191 8.191 907 2HB SER 122 HB2 SER 122 13.294 9.240 9.240 908 HG SER 122 HG SER 122 15.274 8.542 8.542 909 H SER 123 HN SER 123 11.522 8.569 8.569 910 HA SER 123 HA SER 123 11.777 9.270 9.270 911 1HB SER 123 HB1 SER 123 10.145 10.033 10.033 912 2HB SER 123 HB2 SER 123 9.026 9.262 9.262 913 HG SER 123 HG SER 123 9.691 10.684 10.684 914 H VAL 124 HN VAL 124 9.748 6.832 6.832 915 HA VAL 124 HA VAL 124 8.435 5.869 5.869 916 HB VAL 124 HB VAL 124 9.168 4.503 4.503 917 1HG1 VAL 124 HG13 VAL 124 7.503 3.439 3.439 918 2HG1 VAL 124 HG12 VAL 124 7.524 2.752 2.752 919 3HG1 VAL 124 HG11 VAL 124 8.992 2.750 2.750 920 1HG2 VAL 124 HG22 VAL 124 7.511 6.405 6.405 921 2HG2 VAL 124 HG21 VAL 124 6.916 4.887 4.887 922 3HG2 VAL 124 HG23 VAL 124 6.467 5.363 5.363 923 H VAL 125 HN VAL 125 11.241 4.388 4.388 924 HA VAL 125 HA VAL 125 11.785 2.410 2.410 925 HB VAL 125 HB VAL 125 14.058 3.862 3.862 926 1HG1 VAL 125 HG13 VAL 125 14.345 1.820 1.820 927 2HG1 VAL 125 HG12 VAL 125 13.500 0.913 0.913 928 3HG1 VAL 125 HG11 VAL 125 15.030 1.709 1.709 929 1HG2 VAL 125 HG21 VAL 125 11.916 2.281 2.281 930 2HG2 VAL 125 HG23 VAL 125 12.542 3.879 3.879 931 3HG2 VAL 125 HG22 VAL 125 13.541 2.450 2.450 932 H SER 126 HN SER 126 12.834 5.785 5.785 933 HA SER 126 HA SER 126 14.490 5.529 5.529 934 1HB SER 126 HB2 SER 126 15.115 7.367 7.367 935 2HB SER 126 HB1 SER 126 13.451 7.796 7.796 936 HG SER 126 HG SER 126 14.612 9.170 9.170 937 H PHE 127 HN PHE 127 11.122 5.991 5.991 938 HA PHE 127 HA PHE 127 10.542 7.153 7.153 939 1HB PHE 127 HB2 PHE 127 9.069 7.331 7.331 940 2HB PHE 127 HB1 PHE 127 8.643 5.638 5.638 941 HD1 PHE 127 HD1 PHE 127 9.164 8.122 8.122 942 HD2 PHE 127 HD2 PHE 127 6.338 5.862 5.862 943 HE1 PHE 127 HE1 PHE 127 7.384 8.791 8.791 944 HE2 PHE 127 HE2 PHE 127 4.552 6.528 6.528 945 HZ PHE 127 HZ PHE 127 5.073 7.985 7.985 946 H LEU 128 HN LEU 128 10.253 3.869 3.869 947 HA LEU 128 HA LEU 128 9.306 2.719 2.719 948 1HB LEU 128 HB1 LEU 128 10.028 1.816 1.816 949 2HB LEU 128 HB2 LEU 128 10.509 0.670 0.670 950 HG LEU 128 HG LEU 128 8.217 0.332 0.332 951 1HD1 LEU 128 HD11 LEU 128 8.473 0.623 0.623 952 2HD1 LEU 128 HD13 LEU 128 7.178 -0.248 -0.248 953 3HD1 LEU 128 HD12 LEU 128 8.844 -0.808 -0.808 954 1HD2 LEU 128 HD21 LEU 128 7.729 2.847 2.847 955 2HD2 LEU 128 HD23 LEU 128 6.432 1.715 1.715 956 3HD2 LEU 128 HD22 LEU 128 7.328 2.502 2.502 957 H ALA 129 HN ALA 129 12.288 3.965 3.965 958 HA ALA 129 HA ALA 129 14.149 2.148 2.148 959 1HB ALA 129 HB2 ALA 129 14.023 5.098 5.098 960 2HB ALA 129 HB1 ALA 129 15.258 4.414 4.414 961 3HB ALA 129 HB3 ALA 129 15.212 3.971 3.971 962 HA PRO 130 HA PRO 130 13.698 3.623 3.623 963 1HB PRO 130 HB2 PRO 130 12.136 5.731 5.731 964 2HB PRO 130 HB1 PRO 130 13.793 5.929 5.929 965 1HG PRO 130 HG2 PRO 130 11.213 6.152 6.152 966 2HG PRO 130 HG1 PRO 130 12.641 7.203 7.203 967 1HD PRO 130 HD2 PRO 130 12.123 5.276 5.276 968 2HD PRO 130 HD1 PRO 130 13.765 5.795 5.795 969 H GLU 131 HN GLU 131 10.612 4.270 4.270 970 HA GLU 131 HA GLU 131 8.841 3.484 3.484 971 1HB GLU 131 HB1 GLU 131 8.603 2.996 2.996 972 2HB GLU 131 HB2 GLU 131 7.272 2.961 2.961 973 1HG GLU 131 HG2 GLU 131 7.009 5.151 5.151 974 2HG GLU 131 HG1 GLU 131 8.713 5.433 5.433 975 H SER 132 HN SER 132 10.796 1.505 1.505 976 HA SER 132 HA SER 132 9.615 -0.924 -0.924 977 1HB SER 132 HB2 SER 132 10.226 -0.307 -0.307 978 2HB SER 132 HB1 SER 132 11.577 -1.324 -1.324 979 HG SER 132 HG SER 132 8.889 -2.049 -2.049 980 H ASP 133 HN ASP 133 10.903 -2.490 -2.490 981 HA ASP 133 HA ASP 133 12.819 -1.853 -1.853 982 1HB ASP 133 HB1 ASP 133 12.563 -4.370 -4.370 983 2HB ASP 133 HB2 ASP 133 13.777 -4.209 -4.209 984 H LEU 134 HN LEU 134 14.732 -0.892 -0.892 985 HA LEU 134 HA LEU 134 16.154 -0.695 -0.695 986 1HB LEU 134 HB1 LEU 134 16.165 0.712 0.712 987 2HB LEU 134 HB2 LEU 134 17.705 0.631 0.631 988 HG LEU 134 HG LEU 134 15.166 1.954 1.954 989 1HD1 LEU 134 HD11 LEU 134 17.505 2.845 2.845 990 2HD1 LEU 134 HD13 LEU 134 17.621 3.382 3.382 991 3HD1 LEU 134 HD12 LEU 134 16.220 3.828 3.828 992 1HD2 LEU 134 HD21 LEU 134 17.493 1.044 1.044 993 2HD2 LEU 134 HD23 LEU 134 15.768 0.835 0.835 994 3HD2 LEU 134 HD22 LEU 134 16.506 2.428 2.428 995 H HIS 135 HN HIS 135 16.005 -3.203 -3.203 996 HA HIS 135 HA HIS 135 18.888 -3.748 -3.748 997 1HB HIS 135 HB1 HIS 135 17.378 -5.134 -5.134 998 2HB HIS 135 HB2 HIS 135 19.003 -4.459 -4.459 999 HD2 HIS 135 HD2 HIS 135 15.673 -3.790 -3.790 1000 HE1 HIS 135 HE1 HIS 135 17.708 -0.080 -0.080 1001 HE2 HIS 135 HE2 HIS 135 15.626 -1.309 -1.309 1002 H HIS 136 HN HIS 136 15.620 -5.112 -5.112 1003 HA HIS 136 HA HIS 136 16.222 -7.760 -7.760 1004 1HB HIS 136 HB1 HIS 136 13.937 -6.438 -6.438 1005 2HB HIS 136 HB2 HIS 136 13.765 -6.636 -6.636 1006 HD2 HIS 136 HD2 HIS 136 12.123 -8.717 -8.717 1007 HE1 HIS 136 HE1 HIS 136 13.876 -11.259 -11.259 1008 HE2 HIS 136 HE2 HIS 136 11.986 -10.999 -10.999 1009 H ARG 137 HN ARG 137 15.967 -8.959 -8.959 1010 HA ARG 137 HA ARG 137 16.371 -7.409 -7.409 1011 1HB ARG 137 HB2 ARG 137 18.092 -9.348 -9.348 1012 2HB ARG 137 HB1 ARG 137 18.591 -7.889 -7.889 1013 1HG ARG 137 HG1 ARG 137 18.840 -8.964 -8.964 1014 2HG ARG 137 HG2 ARG 137 17.661 -10.214 -10.214 1015 1HD ARG 137 HD1 ARG 137 19.839 -10.350 -10.350 1016 2HD ARG 137 HD2 ARG 137 20.474 -10.337 -10.337 1017 HE ARG 137 HE ARG 137 19.161 -12.488 -12.488 1018 1HH1 ARG 137 HH11 ARG 137 19.383 -10.864 -10.864 1019 2HH1 ARG 137 HH12 ARG 137 18.984 -12.275 -12.275 1020 1HH2 ARG 137 HH21 ARG 137 18.634 -14.353 -14.353 1021 2HH2 ARG 137 HH22 ARG 137 18.559 -14.259 -14.259 1022 H ASP 138 HN ASP 138 16.233 -8.845 -8.845 1023 HA ASP 138 HA ASP 138 13.881 -10.496 -10.496 1024 1HB ASP 138 HB2 ASP 138 14.137 -8.956 -8.956 1025 2HB ASP 138 HB1 ASP 138 13.982 -10.624 -10.624 1026 H ALA 139 HN ALA 139 13.725 -12.685 -12.685 1027 HA ALA 139 HA ALA 139 15.594 -14.428 -14.428 1028 1HB ALA 139 HB1 ALA 139 13.374 -14.705 -14.705 1029 2HB ALA 139 HB3 ALA 139 14.513 -16.043 -16.043 1030 3HB ALA 139 HB2 ALA 139 13.612 -15.490 -15.490 1031 H SER 140 HN SER 140 15.662 -12.693 -12.693 1032 HA SER 140 HA SER 140 17.402 -14.332 -14.332 1033 1HB SER 140 HB2 SER 140 16.039 -11.931 -11.931 1034 2HB SER 140 HB1 SER 140 17.744 -11.502 -11.502 1035 HG SER 140 HG SER 140 16.176 -13.147 -13.147 1036 H GLY 141 HN GLY 141 17.973 -11.610 -11.610 1037 1HA GLY 141 HA2 GLY 141 19.894 -11.662 -11.662 1038 2HA GLY 141 HA1 GLY 141 20.782 -12.486 -12.486 1039 H LEU 142 HN LEU 142 18.849 -9.488 -9.488 1040 HA LEU 142 HA LEU 142 21.210 -7.922 -7.922 1041 1HB LEU 142 HB1 LEU 142 18.785 -7.906 -7.906 1042 2HB LEU 142 HB2 LEU 142 20.184 -6.861 -6.861 1043 HG LEU 142 HG LEU 142 20.557 -9.827 -9.827 1044 1HD1 LEU 142 HD13 LEU 142 18.667 -9.122 -9.122 1045 2HD1 LEU 142 HD12 LEU 142 19.876 -8.193 -8.193 1046 3HD1 LEU 142 HD11 LEU 142 20.035 -9.944 -9.944 1047 1HD2 LEU 142 HD22 LEU 142 22.163 -7.511 -7.511 1048 2HD2 LEU 142 HD21 LEU 142 22.633 -9.207 -9.207 1049 3HD2 LEU 142 HD23 LEU 142 22.063 -8.347 -8.347 1050 H THR 143 HN THR 143 21.088 -6.559 -6.559 1051 HA THR 143 HA THR 143 18.622 -5.595 -5.595 1052 HB THR 143 HB THR 143 20.702 -3.906 -3.906 1053 HG1 THR 143 HG1 THR 143 22.152 -5.709 -5.709 1054 1HG2 THR 143 HG23 THR 143 19.265 -6.234 -6.234 1055 2HG2 THR 143 HG22 THR 143 20.670 -5.577 -5.577 1056 3HG2 THR 143 HG21 THR 143 19.278 -4.545 -4.545 1057 HA PRO 144 HA PRO 144 17.695 -1.710 -1.710 1058 1HB PRO 144 HB1 PRO 144 19.187 -0.243 -0.243 1059 2HB PRO 144 HB2 PRO 144 17.567 0.050 0.050 1060 1HG PRO 144 HG2 PRO 144 17.893 -1.160 -1.160 1061 2HG PRO 144 HG1 PRO 144 16.627 -1.685 -1.685 1062 1HD PRO 144 HD2 PRO 144 19.220 -2.979 -2.979 1063 2HD PRO 144 HD1 PRO 144 17.676 -3.718 -3.718 1064 H LEU 145 HN LEU 145 20.899 -1.206 -1.206 1065 HA LEU 145 HA LEU 145 21.903 0.375 0.375 1066 1HB LEU 145 HB2 LEU 145 22.865 -0.731 -0.731 1067 2HB LEU 145 HB1 LEU 145 24.088 -0.877 -0.877 1068 HG LEU 145 HG LEU 145 22.710 1.743 1.743 1069 1HD1 LEU 145 HD13 LEU 145 23.591 0.867 0.867 1070 2HD1 LEU 145 HD12 LEU 145 25.196 0.859 0.859 1071 3HD1 LEU 145 HD11 LEU 145 24.321 2.379 2.379 1072 1HD2 LEU 145 HD21 LEU 145 25.435 0.974 0.974 1073 2HD2 LEU 145 HD23 LEU 145 24.063 1.513 1.513 1074 3HD2 LEU 145 HD22 LEU 145 24.830 2.622 2.622 1075 H GLU 146 HN GLU 146 21.756 -3.065 -3.065 1076 HA GLU 146 HA GLU 146 23.712 -3.753 -3.753 1077 1HB GLU 146 HB1 GLU 146 21.628 -5.244 -5.244 1078 2HB GLU 146 HB2 GLU 146 22.372 -6.018 -6.018 1079 1HG GLU 146 HG2 GLU 146 23.589 -6.714 -6.714 1080 2HG GLU 146 HG1 GLU 146 24.599 -5.536 -5.536 1081 H LEU 147 HN LEU 147 20.175 -4.289 -4.289 1082 HA LEU 147 HA LEU 147 19.948 -4.892 -4.892 1083 1HB LEU 147 HB2 LEU 147 18.192 -4.425 -4.425 1084 2HB LEU 147 HB1 LEU 147 17.700 -3.302 -3.302 1085 HG LEU 147 HG LEU 147 17.631 -6.286 -6.286 1086 1HD1 LEU 147 HD12 LEU 147 15.779 -4.075 -4.075 1087 2HD1 LEU 147 HD11 LEU 147 15.548 -5.197 -5.197 1088 3HD1 LEU 147 HD13 LEU 147 15.475 -5.782 -5.782 1089 1HD2 LEU 147 HD21 LEU 147 18.063 -4.532 -4.532 1090 2HD2 LEU 147 HD23 LEU 147 18.885 -6.029 -6.029 1091 3HD2 LEU 147 HD22 LEU 147 17.215 -6.074 -6.074 1092 H ALA 148 HN ALA 148 20.000 -1.753 -1.753 1093 HA ALA 148 HA ALA 148 19.344 -0.164 -0.164 1094 1HB ALA 148 HB2 ALA 148 19.606 0.450 0.450 1095 2HB ALA 148 HB1 ALA 148 21.281 0.777 0.777 1096 3HB ALA 148 HB3 ALA 148 19.974 1.656 1.656 1097 H ARG 149 HN ARG 149 22.387 -1.533 -1.533 1098 HA ARG 149 HA ARG 149 24.100 -0.153 -0.153 1099 1HB ARG 149 HB2 ARG 149 24.668 -1.650 -1.650 1100 2HB ARG 149 HB1 ARG 149 24.612 -2.976 -2.976 1101 1HG ARG 149 HG1 ARG 149 26.233 -0.727 -0.727 1102 2HG ARG 149 HG2 ARG 149 26.811 -1.463 -1.463 1103 1HD ARG 149 HD2 ARG 149 26.017 -3.384 -3.384 1104 2HD ARG 149 HD1 ARG 149 27.380 -2.360 -2.360 1105 HE ARG 149 HE ARG 149 27.472 -4.539 -4.539 1106 1HH1 ARG 149 HH11 ARG 149 28.576 -1.243 -1.243 1107 2HH1 ARG 149 HH12 ARG 149 29.972 -1.515 -1.515 1108 1HH2 ARG 149 HH21 ARG 149 29.306 -4.910 -4.910 1109 2HH2 ARG 149 HH22 ARG 149 30.389 -3.601 -3.601 1110 H GLN 150 HN GLN 150 22.176 -3.066 -3.066 1111 HA GLN 150 HA GLN 150 23.205 -3.965 -3.965 1112 1HB GLN 150 HB2 GLN 150 21.969 -5.556 -5.556 1113 2HB GLN 150 HB1 GLN 150 20.649 -4.436 -4.436 1114 1HG GLN 150 HG1 GLN 150 19.747 -5.867 -5.867 1115 2HG GLN 150 HG2 GLN 150 20.296 -4.522 -4.522 1116 1HE2 GLN 150 HE22 GLN 150 22.376 -8.049 -8.049 1117 2HE2 GLN 150 HE21 GLN 150 21.547 -7.565 -7.565 1118 H ARG 151 HN ARG 151 19.866 -2.862 -2.862 1119 HA ARG 151 HA ARG 151 19.832 -1.745 -1.745 1120 1HB ARG 151 HB2 ARG 151 17.725 -1.237 -1.237 1121 2HB ARG 151 HB1 ARG 151 17.538 -1.407 -1.407 1122 1HG ARG 151 HG1 ARG 151 18.599 -3.814 -3.814 1123 2HG ARG 151 HG2 ARG 151 17.062 -3.340 -3.340 1124 1HD ARG 151 HD2 ARG 151 16.092 -4.342 -4.342 1125 2HD ARG 151 HD1 ARG 151 16.638 -2.963 -2.963 1126 HE ARG 151 HE ARG 151 18.768 -4.626 -4.626 1127 1HH1 ARG 151 HH21 ARG 151 15.385 -5.050 -5.050 1128 2HH1 ARG 151 HH22 ARG 151 15.656 -6.282 -6.282 1129 1HH2 ARG 151 HH11 ARG 151 19.137 -6.250 -6.250 1130 2HH2 ARG 151 HH12 ARG 151 17.789 -6.966 -6.966 1131 H GLY 152 HN GLY 152 21.836 -0.453 -0.453 1132 1HA GLY 152 HA2 GLY 152 21.263 1.841 1.841 1133 2HA GLY 152 HA1 GLY 152 22.725 1.558 1.558 1134 H ALA 153 HN ALA 153 19.331 1.979 1.979 1135 HA ALA 153 HA ALA 153 19.475 3.162 3.162 1136 1HB ALA 153 HB2 ALA 153 17.570 3.132 3.132 1137 2HB ALA 153 HB1 ALA 153 17.687 4.797 4.797 1138 3HB ALA 153 HB3 ALA 153 17.309 3.501 3.501 1139 H GLN 154 HN GLN 154 20.382 4.607 4.607 1140 HA GLN 154 HA GLN 154 22.161 6.445 6.445 1141 1HB GLN 154 HB2 GLN 154 20.822 8.560 8.560 1142 2HB GLN 154 HB1 GLN 154 20.443 7.762 7.762 1143 1HG GLN 154 HG2 GLN 154 18.480 8.524 8.524 1144 2HG GLN 154 HG1 GLN 154 18.455 6.845 6.845 1145 1HE2 GLN 154 HE22 GLN 154 18.521 5.474 5.474 1146 2HE2 GLN 154 HE21 GLN 154 18.644 5.206 5.206 1147 H ASN 155 HN ASN 155 20.739 8.269 8.269 1148 HA ASN 155 HA ASN 155 22.631 7.400 7.400 1149 1HB ASN 155 HB1 ASN 155 20.393 9.414 9.414 1150 2HB ASN 155 HB2 ASN 155 21.758 9.225 9.225 1151 1HD2 ASN 155 HD22 ASN 155 22.875 11.989 11.989 1152 2HD2 ASN 155 HD21 ASN 155 21.917 11.560 11.560 1153 H LEU 156 HN LEU 156 20.531 5.408 5.408 1154 HA LEU 156 HA LEU 156 18.519 5.182 5.182 1155 1HB LEU 156 HB1 LEU 156 19.807 3.482 3.482 1156 2HB LEU 156 HB2 LEU 156 19.483 2.576 2.576 1157 HG LEU 156 HG LEU 156 17.526 3.925 3.925 1158 1HD1 LEU 156 HD12 LEU 156 18.413 1.266 1.266 1159 2HD1 LEU 156 HD11 LEU 156 16.732 1.370 1.370 1160 3HD1 LEU 156 HD13 LEU 156 17.177 1.851 1.851 1161 1HD2 LEU 156 HD23 LEU 156 17.175 3.183 3.183 1162 2HD2 LEU 156 HD22 LEU 156 16.721 4.674 4.674 1163 3HD2 LEU 156 HD21 LEU 156 15.815 3.188 3.188 1164 H MET 157 HN MET 157 21.473 3.209 3.209 1165 HA MET 157 HA MET 157 21.228 2.448 2.448 1166 1HB MET 157 HB2 MET 157 23.302 1.494 1.494 1167 2HB MET 157 HB1 MET 157 22.876 1.726 1.726 1168 1HG MET 157 HG1 MET 157 24.167 3.800 3.800 1169 2HG MET 157 HG2 MET 157 24.622 3.543 3.543 1170 1HE MET 157 HE1 MET 157 24.825 0.295 0.295 1171 2HE MET 157 HE3 MET 157 26.556 0.068 0.068 1172 3HE MET 157 HE2 MET 157 25.982 1.245 1.245 1173 H ASP 158 HN ASP 158 22.161 5.460 5.460 1174 HA ASP 158 HA ASP 158 23.635 6.420 6.420 1175 1HB ASP 158 HB2 ASP 158 22.783 8.682 8.682 1176 2HB ASP 158 HB1 ASP 158 22.703 7.492 7.492 1177 H ILE 159 HN ILE 159 20.367 7.144 7.144 1178 HA ILE 159 HA ILE 159 19.532 8.824 8.824 1179 HB ILE 159 HB ILE 159 17.725 6.785 6.785 1180 1HG1 ILE 159 HG12 ILE 159 17.824 9.346 9.346 1181 2HG1 ILE 159 HG11 ILE 159 19.397 8.558 8.558 1182 1HG2 ILE 159 HG21 ILE 159 17.408 9.326 9.326 1183 2HG2 ILE 159 HG23 ILE 159 16.345 9.073 9.073 1184 3HG2 ILE 159 HG22 ILE 159 16.358 7.910 7.910 1185 1HD1 ILE 159 HD13 ILE 159 17.814 6.492 6.492 1186 2HD1 ILE 159 HD12 ILE 159 16.894 7.840 7.840 1187 3HD1 ILE 159 HD11 ILE 159 18.569 7.587 7.587 1188 H LEU 160 HN LEU 160 19.622 5.306 5.306 1189 HA LEU 160 HA LEU 160 18.191 4.968 4.968 1190 1HB LEU 160 HB1 LEU 160 19.981 2.787 2.787 1191 2HB LEU 160 HB2 LEU 160 18.255 2.775 2.775 1192 HG LEU 160 HG LEU 160 19.658 3.464 3.464 1193 1HD1 LEU 160 HD11 LEU 160 17.624 1.361 1.361 1194 2HD1 LEU 160 HD13 LEU 160 18.280 1.643 1.643 1195 3HD1 LEU 160 HD12 LEU 160 19.339 1.093 1.093 1196 1HD2 LEU 160 HD23 LEU 160 17.065 4.348 4.348 1197 2HD2 LEU 160 HD22 LEU 160 18.039 4.947 4.947 1198 3HD2 LEU 160 HD21 LEU 160 16.996 3.540 3.540 1199 H GLN 161 HN GLN 161 21.509 5.477 5.477 1200 HA GLN 161 HA GLN 161 22.854 4.473 4.473 1201 1HB GLN 161 HB1 GLN 161 23.593 5.875 5.875 1202 2HB GLN 161 HB2 GLN 161 23.746 7.127 7.127 1203 1HG GLN 161 HG1 GLN 161 24.959 4.477 4.477 1204 2HG GLN 161 HG2 GLN 161 25.745 5.526 5.526 1205 1HE2 GLN 161 HE22 GLN 161 26.490 6.073 6.073 1206 2HE2 GLN 161 HE21 GLN 161 25.893 4.628 4.628 1207 H GLY 162 HN GLY 162 21.554 7.772 7.772 1208 1HA GLY 162 HA2 GLY 162 22.178 8.645 8.645 1209 2HA GLY 162 HA1 GLY 162 20.966 9.359 9.359 1210 H HIS 163 HN HIS 163 19.354 6.981 6.981 1211 HA HIS 163 HA HIS 163 17.728 7.326 7.326 1212 1HB HIS 163 HB1 HIS 163 17.645 5.520 5.520 1213 2HB HIS 163 HB2 HIS 163 16.558 5.225 5.225 1214 HD2 HIS 163 HD2 HIS 163 16.439 6.986 6.986 1215 HE1 HIS 163 HE1 HIS 163 13.961 9.256 9.256 1216 HE2 HIS 163 HE2 HIS 163 14.750 8.946 8.946 1217 H MET 164 HN MET 164 20.023 4.856 4.856 1218 HA MET 164 HA MET 164 19.439 2.929 2.929 1219 1HB MET 164 HB1 MET 164 21.354 3.285 3.285 1220 2HB MET 164 HB2 MET 164 22.249 2.950 2.950 1221 1HG MET 164 HG2 MET 164 19.929 1.213 1.213 1222 2HG MET 164 HG1 MET 164 21.279 1.056 1.056 1223 1HE MET 164 HE2 MET 164 22.046 -1.218 -1.218 1224 2HE MET 164 HE1 MET 164 23.502 -0.235 -0.235 1225 3HE MET 164 HE3 MET 164 23.206 -1.555 -1.555 1226 H MET 165 HN MET 165 21.516 2.323 2.323 1227 HA MET 165 HA MET 165 22.477 4.667 4.667 1228 1HB MET 165 HB2 MET 165 21.553 4.034 4.034 1229 2HB MET 165 HB1 MET 165 20.246 4.228 4.228 1230 1HG MET 165 HG1 MET 165 19.662 2.305 2.305 1231 2HG MET 165 HG2 MET 165 20.441 1.685 1.685 1232 1HE MET 165 HE1 MET 165 20.693 2.372 2.372 1233 2HE MET 165 HE3 MET 165 22.266 1.718 1.718 1234 3HE MET 165 HE2 MET 165 22.169 3.210 3.210 1235 H ILE 166 HN ILE 166 24.156 4.204 4.204 1236 HA ILE 166 HA ILE 166 25.359 1.538 1.538 1237 HB ILE 166 HB ILE 166 27.472 3.090 3.090 1238 1HG1 ILE 166 HG11 ILE 166 25.840 5.077 5.077 1239 2HG1 ILE 166 HG12 ILE 166 27.430 5.196 5.196 1240 1HG2 ILE 166 HG21 ILE 166 26.408 2.096 2.096 1241 2HG2 ILE 166 HG23 ILE 166 27.784 3.199 3.199 1242 3HG2 ILE 166 HG22 ILE 166 27.897 1.682 1.682 1243 1HD1 ILE 166 HD11 ILE 166 24.917 4.383 4.383 1244 2HD1 ILE 166 HD13 ILE 166 25.619 6.000 6.000 1245 3HD1 ILE 166 HD12 ILE 166 26.506 4.649 4.649 1246 HA PRO 167 HA PRO 167 24.726 1.081 1.081 1247 1HB PRO 167 HB1 PRO 167 26.863 -0.954 -0.954 1248 2HB PRO 167 HB2 PRO 167 25.255 -1.119 -1.119 1249 1HG PRO 167 HG2 PRO 167 25.787 -2.117 -2.117 1250 2HG PRO 167 HG1 PRO 167 24.220 -1.366 -1.366 1251 1HD PRO 167 HD1 PRO 167 26.546 -0.272 -0.272 1252 2HD PRO 167 HD2 PRO 167 24.807 -0.081 -0.081 1253 H MET 168 HN MET 168 27.636 1.910 1.910 1254 HA MET 168 HA MET 168 29.026 2.413 2.413 1255 1HB MET 168 HB2 MET 168 30.089 2.585 2.585 1256 2HB MET 168 HB1 MET 168 31.034 2.726 2.726 1257 1HG MET 168 HG2 MET 168 29.544 0.276 0.276 1258 2HG MET 168 HG1 MET 168 30.483 0.414 0.414 1259 1HE MET 168 HE2 MET 168 32.178 -0.855 -0.855 1260 2HE MET 168 HE1 MET 168 33.597 -1.013 -1.013 1261 3HE MET 168 HE3 MET 168 32.158 -1.981 -1.981 Start of MODEL 17 1 1H GLY 1 HT3 GLY 1 -39.337 -14.041 -14.041 2 2H GLY 1 HT2 GLY 1 -40.657 -15.071 -15.071 3 3H GLY 1 HT1 GLY 1 -40.863 -13.396 -13.396 4 1HA GLY 1 HA1 GLY 1 -40.786 -13.935 -13.935 5 2HA GLY 1 HA2 GLY 1 -39.661 -15.256 -15.256 6 H SER 2 HN SER 2 -37.546 -14.267 -14.267 7 HA SER 2 HA SER 2 -36.684 -11.713 -11.713 8 1HB SER 2 HB1 SER 2 -34.910 -12.679 -12.679 9 2HB SER 2 HB2 SER 2 -36.556 -12.446 -12.446 10 HG SER 2 HG SER 2 -35.296 -14.605 -14.605 11 H MET 3 HN MET 3 -34.576 -11.213 -11.213 12 HA MET 3 HA MET 3 -32.964 -13.263 -13.263 13 1HB MET 3 HB2 MET 3 -34.655 -12.708 -12.708 14 2HB MET 3 HB1 MET 3 -34.115 -11.036 -11.036 15 1HG MET 3 HG2 MET 3 -32.651 -11.537 -11.537 16 2HG MET 3 HG1 MET 3 -31.802 -12.538 -12.538 17 1HE MET 3 HE3 MET 3 -31.779 -14.995 -14.995 18 2HE MET 3 HE2 MET 3 -33.494 -15.106 -15.106 19 3HE MET 3 HE1 MET 3 -32.822 -16.104 -16.104 20 H LEU 4 HN LEU 4 -30.854 -12.740 -12.740 21 HA LEU 4 HA LEU 4 -29.795 -10.154 -10.154 22 1HB LEU 4 HB2 LEU 4 -30.761 -10.810 -10.810 23 2HB LEU 4 HB1 LEU 4 -29.020 -10.607 -10.607 24 HG LEU 4 HG LEU 4 -30.181 -8.461 -8.461 25 1HD1 LEU 4 HD12 LEU 4 -32.053 -9.306 -9.306 26 2HD1 LEU 4 HD11 LEU 4 -31.130 -8.222 -8.222 27 3HD1 LEU 4 HD13 LEU 4 -31.834 -7.616 -7.616 28 1HD2 LEU 4 HD23 LEU 4 -28.291 -8.928 -8.928 29 2HD2 LEU 4 HD22 LEU 4 -28.296 -7.687 -7.687 30 3HD2 LEU 4 HD21 LEU 4 -29.221 -7.447 -7.447 31 H LEU 5 HN LEU 5 -28.535 -11.516 -11.516 32 HA LEU 5 HA LEU 5 -26.174 -12.541 -12.541 33 1HB LEU 5 HB1 LEU 5 -27.940 -14.412 -14.412 34 2HB LEU 5 HB2 LEU 5 -27.491 -14.317 -14.317 35 HG LEU 5 HG LEU 5 -25.188 -14.901 -14.901 36 1HD1 LEU 5 HD22 LEU 5 -26.142 -14.411 -14.411 37 2HD1 LEU 5 HD21 LEU 5 -25.085 -15.808 -15.808 38 3HD1 LEU 5 HD23 LEU 5 -24.537 -14.208 -14.208 39 1HD2 LEU 5 HD11 LEU 5 -27.241 -16.600 -16.600 40 2HD2 LEU 5 HD13 LEU 5 -25.581 -17.128 -17.128 41 3HD2 LEU 5 HD12 LEU 5 -26.689 -16.947 -16.947 42 H GLU 6 HN GLU 6 -27.042 -10.376 -10.376 43 HA GLU 6 HA GLU 6 -25.142 -10.998 -10.998 44 1HB GLU 6 HB2 GLU 6 -27.450 -10.763 -10.763 45 2HB GLU 6 HB1 GLU 6 -27.544 -9.162 -9.162 46 1HG GLU 6 HG1 GLU 6 -26.637 -8.239 -8.239 47 2HG GLU 6 HG2 GLU 6 -25.253 -9.330 -9.330 48 H GLU 7 HN GLU 7 -23.299 -10.120 -10.120 49 HA GLU 7 HA GLU 7 -23.374 -7.233 -7.233 50 1HB GLU 7 HB2 GLU 7 -22.692 -9.219 -9.219 51 2HB GLU 7 HB1 GLU 7 -21.127 -8.704 -8.704 52 1HG GLU 7 HG2 GLU 7 -22.450 -6.331 -6.331 53 2HG GLU 7 HG1 GLU 7 -22.926 -7.382 -7.382 54 H VAL 8 HN VAL 8 -23.059 -7.813 -7.813 55 HA VAL 8 HA VAL 8 -20.189 -7.376 -7.376 56 HB VAL 8 HB VAL 8 -20.889 -9.721 -9.721 57 1HG1 VAL 8 HG11 VAL 8 -23.143 -9.004 -9.004 58 2HG1 VAL 8 HG13 VAL 8 -22.318 -8.393 -8.393 59 3HG1 VAL 8 HG12 VAL 8 -22.254 -10.111 -10.111 60 1HG2 VAL 8 HG22 VAL 8 -19.561 -7.761 -7.761 61 2HG2 VAL 8 HG21 VAL 8 -18.950 -9.262 -9.262 62 3HG2 VAL 8 HG23 VAL 8 -19.988 -9.310 -9.310 63 H CYS 9 HN CYS 9 -23.500 -6.954 -6.954 64 HA CYS 9 HA CYS 9 -23.298 -5.575 -5.575 65 1HB CYS 9 HB2 CYS 9 -25.224 -4.134 -4.134 66 2HB CYS 9 HB1 CYS 9 -25.463 -5.877 -5.877 67 HG CYS 9 HG CYS 9 -25.458 -4.015 -4.015 68 H VAL 10 HN VAL 10 -22.319 -4.411 -4.411 69 HA VAL 10 HA VAL 10 -21.819 -1.728 -1.728 70 HB VAL 10 HB VAL 10 -20.629 -1.753 -1.753 71 1HG1 VAL 10 HG11 VAL 10 -22.530 -0.346 -0.346 72 2HG1 VAL 10 HG13 VAL 10 -23.576 -1.355 -1.355 73 3HG1 VAL 10 HG12 VAL 10 -22.330 -0.359 -0.359 74 1HG2 VAL 10 HG22 VAL 10 -21.442 -4.154 -4.154 75 2HG2 VAL 10 HG21 VAL 10 -21.823 -3.044 -3.044 76 3HG2 VAL 10 HG23 VAL 10 -23.063 -3.470 -3.470 77 H GLY 11 HN GLY 11 -19.885 -4.384 -4.384 78 1HA GLY 11 HA1 GLY 11 -17.379 -3.255 -3.255 79 2HA GLY 11 HA2 GLY 11 -17.695 -4.980 -4.980 80 H ASP 12 HN ASP 12 -19.488 -4.275 -4.275 81 HA ASP 12 HA ASP 12 -17.338 -4.409 -4.409 82 1HB ASP 12 HB2 ASP 12 -18.921 -5.308 -5.308 83 2HB ASP 12 HB1 ASP 12 -19.324 -6.021 -6.021 84 H ARG 13 HN ARG 13 -19.299 -2.085 -2.085 85 HA ARG 13 HA ARG 13 -19.396 -0.415 -0.415 86 1HB ARG 13 HB1 ARG 13 -21.476 -0.366 -0.366 87 2HB ARG 13 HB2 ARG 13 -20.758 -0.308 -0.308 88 1HG ARG 13 HG1 ARG 13 -20.557 1.931 1.931 89 2HG ARG 13 HG2 ARG 13 -20.150 1.984 1.984 90 1HD ARG 13 HD2 ARG 13 -22.364 3.023 3.023 91 2HD ARG 13 HD1 ARG 13 -22.407 1.862 1.862 92 HE ARG 13 HE ARG 13 -22.895 0.468 0.468 93 1HH1 ARG 13 HH21 ARG 13 -24.394 2.938 2.938 94 2HH1 ARG 13 HH22 ARG 13 -26.005 2.512 2.512 95 1HH2 ARG 13 HH11 ARG 13 -25.013 -0.098 -0.098 96 2HH2 ARG 13 HH12 ARG 13 -26.356 0.787 0.787 97 H LEU 14 HN LEU 14 -18.370 -0.205 -0.205 98 HA LEU 14 HA LEU 14 -17.036 2.266 2.266 99 1HB LEU 14 HB1 LEU 14 -17.629 1.538 1.538 100 2HB LEU 14 HB2 LEU 14 -16.810 0.002 0.002 101 HG LEU 14 HG LEU 14 -14.663 1.488 1.488 102 1HD1 LEU 14 HD22 LEU 14 -15.877 3.621 3.621 103 2HD1 LEU 14 HD21 LEU 14 -16.497 3.293 3.293 104 3HD1 LEU 14 HD23 LEU 14 -14.767 3.522 3.522 105 1HD2 LEU 14 HD12 LEU 14 -15.514 -0.131 -0.131 106 2HD2 LEU 14 HD11 LEU 14 -14.179 0.974 0.974 107 3HD2 LEU 14 HD13 LEU 14 -15.804 1.363 1.363 108 H SER 15 HN SER 15 -16.023 -1.045 -1.045 109 HA SER 15 HA SER 15 -13.246 -0.627 -0.627 110 1HB SER 15 HB2 SER 15 -13.591 -2.870 -2.870 111 2HB SER 15 HB1 SER 15 -15.121 -2.737 -2.737 112 HG SER 15 HG SER 15 -14.031 -2.643 -2.643 113 H GLY 16 HN GLY 16 -15.735 -0.429 -0.429 114 1HA GLY 16 HA1 GLY 16 -13.911 0.054 0.054 115 2HA GLY 16 HA2 GLY 16 -15.645 0.335 0.335 116 H ALA 17 HN ALA 17 -16.023 2.214 2.214 117 HA ALA 17 HA ALA 17 -15.339 4.596 4.596 118 1HB ALA 17 HB2 ALA 17 -17.194 4.125 4.125 119 2HB ALA 17 HB1 ALA 17 -15.964 4.474 4.474 120 3HB ALA 17 HB3 ALA 17 -16.412 5.706 5.706 121 H ALA 18 HN ALA 18 -13.927 3.098 3.098 122 HA ALA 18 HA ALA 18 -11.972 5.127 5.127 123 1HB ALA 18 HB2 ALA 18 -12.898 2.950 2.950 124 2HB ALA 18 HB1 ALA 18 -11.222 2.543 2.543 125 3HB ALA 18 HB3 ALA 18 -11.598 4.047 4.047 126 H ALA 19 HN ALA 19 -11.917 1.938 1.938 127 HA ALA 19 HA ALA 19 -9.139 2.057 2.057 128 1HB ALA 19 HB2 ALA 19 -10.346 -0.067 -0.067 129 2HB ALA 19 HB1 ALA 19 -11.289 0.288 0.288 130 3HB ALA 19 HB3 ALA 19 -9.547 0.042 0.042 131 H ARG 20 HN ARG 20 -12.047 3.225 3.225 132 HA ARG 20 HA ARG 20 -11.055 3.439 3.439 133 1HB ARG 20 HB1 ARG 20 -13.448 4.490 4.490 134 2HB ARG 20 HB2 ARG 20 -13.045 5.139 5.139 135 1HG ARG 20 HG2 ARG 20 -12.957 2.280 2.280 136 2HG ARG 20 HG1 ARG 20 -14.496 2.815 2.815 137 1HD ARG 20 HD1 ARG 20 -15.079 3.990 3.990 138 2HD ARG 20 HD2 ARG 20 -13.410 4.093 4.093 139 HE ARG 20 HE ARG 20 -14.058 1.408 1.408 140 1HH1 ARG 20 HH21 ARG 20 -15.189 4.300 4.300 141 2HH1 ARG 20 HH22 ARG 20 -15.718 3.471 3.471 142 1HH2 ARG 20 HH11 ARG 20 -14.747 0.307 0.307 143 2HH2 ARG 20 HH12 ARG 20 -15.466 1.201 1.201 144 H GLY 21 HN GLY 21 -10.441 5.148 5.148 145 1HA GLY 21 HA2 GLY 21 -9.170 7.016 7.016 146 2HA GLY 21 HA1 GLY 21 -8.720 6.992 6.992 147 H ASP 22 HN ASP 22 -11.203 8.055 8.055 148 HA ASP 22 HA ASP 22 -11.640 10.415 10.415 149 1HB ASP 22 HB2 ASP 22 -13.337 8.425 8.425 150 2HB ASP 22 HB1 ASP 22 -14.101 9.049 9.049 151 H VAL 23 HN VAL 23 -10.645 11.552 11.552 152 HA VAL 23 HA VAL 23 -11.187 11.379 11.379 153 HB VAL 23 HB VAL 23 -9.380 12.769 12.769 154 1HG1 VAL 23 HG13 VAL 23 -11.173 13.657 13.657 155 2HG1 VAL 23 HG12 VAL 23 -11.015 15.053 15.053 156 3HG1 VAL 23 HG11 VAL 23 -9.584 14.358 14.358 157 1HG2 VAL 23 HG21 VAL 23 -11.426 13.802 13.802 158 2HG2 VAL 23 HG23 VAL 23 -9.684 13.643 13.643 159 3HG2 VAL 23 HG22 VAL 23 -10.341 15.034 15.034 160 H GLN 24 HN GLN 24 -13.045 12.797 12.797 161 HA GLN 24 HA GLN 24 -14.816 14.291 14.291 162 1HB GLN 24 HB1 GLN 24 -14.310 14.078 14.078 163 2HB GLN 24 HB2 GLN 24 -15.989 13.610 13.610 164 1HG GLN 24 HG2 GLN 24 -15.893 15.822 15.822 165 2HG GLN 24 HG1 GLN 24 -14.692 16.228 16.228 166 1HE2 GLN 24 HE22 GLN 24 -17.589 17.557 17.557 167 2HE2 GLN 24 HE21 GLN 24 -16.315 17.924 17.924 168 H GLU 25 HN GLU 25 -15.134 11.278 11.278 169 HA GLU 25 HA GLU 25 -17.705 10.665 10.665 170 1HB GLU 25 HB1 GLU 25 -17.646 9.545 9.545 171 2HB GLU 25 HB2 GLU 25 -15.892 9.567 9.567 172 1HG GLU 25 HG1 GLU 25 -15.690 7.519 7.519 173 2HG GLU 25 HG2 GLU 25 -17.213 7.666 7.666 174 H VAL 26 HN VAL 26 -14.426 9.933 9.933 175 HA VAL 26 HA VAL 26 -14.762 7.646 7.646 176 HB VAL 26 HB VAL 26 -12.613 9.046 9.046 177 1HG1 VAL 26 HG21 VAL 26 -13.410 11.039 11.039 178 2HG1 VAL 26 HG23 VAL 26 -13.336 10.102 10.102 179 3HG1 VAL 26 HG22 VAL 26 -11.861 10.430 10.430 180 1HG2 VAL 26 HG12 VAL 26 -12.969 6.839 6.839 181 2HG2 VAL 26 HG11 VAL 26 -11.461 7.727 7.727 182 3HG2 VAL 26 HG13 VAL 26 -12.728 7.841 7.841 183 H ARG 27 HN ARG 27 -15.246 11.014 11.014 184 HA ARG 27 HA ARG 27 -16.054 10.283 10.283 185 1HB ARG 27 HB2 ARG 27 -16.608 12.894 12.894 186 2HB ARG 27 HB1 ARG 27 -16.538 12.608 12.608 187 1HG ARG 27 HG1 ARG 27 -14.070 11.820 11.820 188 2HG ARG 27 HG2 ARG 27 -14.358 12.995 12.995 189 1HD ARG 27 HD2 ARG 27 -14.451 14.762 14.762 190 2HD ARG 27 HD1 ARG 27 -15.058 13.782 13.782 191 HE ARG 27 HE ARG 27 -12.340 13.195 13.195 192 1HH1 ARG 27 HH11 ARG 27 -14.419 15.171 15.171 193 2HH1 ARG 27 HH12 ARG 27 -13.188 15.531 15.531 194 1HH2 ARG 27 HH21 ARG 27 -10.711 13.662 13.662 195 2HH2 ARG 27 HH22 ARG 27 -11.079 14.674 14.674 196 H ARG 28 HN ARG 28 -17.714 10.931 10.931 197 HA ARG 28 HA ARG 28 -20.307 11.312 11.312 198 1HB ARG 28 HB2 ARG 28 -19.345 9.809 9.809 199 2HB ARG 28 HB1 ARG 28 -21.002 10.342 10.342 200 1HG ARG 28 HG2 ARG 28 -18.802 12.345 12.345 201 2HG ARG 28 HG1 ARG 28 -19.341 11.758 11.758 202 1HD ARG 28 HD2 ARG 28 -21.575 12.427 12.427 203 2HD ARG 28 HD1 ARG 28 -20.485 13.797 13.797 204 HE ARG 28 HE ARG 28 -22.227 12.679 12.679 205 1HH1 ARG 28 HH21 ARG 28 -19.201 14.338 14.338 206 2HH1 ARG 28 HH22 ARG 28 -19.197 15.044 15.044 207 1HH2 ARG 28 HH11 ARG 28 -22.232 13.602 13.602 208 2HH2 ARG 28 HH12 ARG 28 -20.921 14.627 14.627 209 H LEU 29 HN LEU 29 -18.428 8.393 8.393 210 HA LEU 29 HA LEU 29 -20.624 6.593 6.593 211 1HB LEU 29 HB2 LEU 29 -17.736 6.183 6.183 212 2HB LEU 29 HB1 LEU 29 -18.938 4.925 4.925 213 HG LEU 29 HG LEU 29 -18.635 6.615 6.615 214 1HD1 LEU 29 HD11 LEU 29 -16.282 6.401 6.401 215 2HD1 LEU 29 HD13 LEU 29 -16.328 4.799 4.799 216 3HD1 LEU 29 HD12 LEU 29 -16.461 6.237 6.237 217 1HD2 LEU 29 HD23 LEU 29 -19.874 4.488 4.488 218 2HD2 LEU 29 HD22 LEU 29 -18.589 4.472 4.472 219 3HD2 LEU 29 HD21 LEU 29 -18.361 3.645 3.645 220 H LEU 30 HN LEU 30 -18.064 7.303 7.303 221 HA LEU 30 HA LEU 30 -19.506 6.315 6.315 222 1HB LEU 30 HB2 LEU 30 -17.362 8.390 8.390 223 2HB LEU 30 HB1 LEU 30 -17.724 7.050 7.050 224 HG LEU 30 HG LEU 30 -15.857 6.214 6.214 225 1HD1 LEU 30 HD22 LEU 30 -18.173 5.088 5.088 226 2HD1 LEU 30 HD21 LEU 30 -17.272 5.361 5.361 227 3HD1 LEU 30 HD23 LEU 30 -16.559 4.405 4.405 228 1HD2 LEU 30 HD13 LEU 30 -16.266 8.327 8.327 229 2HD2 LEU 30 HD12 LEU 30 -14.812 7.358 7.358 230 3HD2 LEU 30 HD11 LEU 30 -16.016 6.857 6.857 231 H HIS 31 HN HIS 31 -18.840 9.700 9.700 232 HA HIS 31 HA HIS 31 -20.304 10.887 10.887 233 1HB HIS 31 HB2 HIS 31 -18.996 11.748 11.748 234 2HB HIS 31 HB1 HIS 31 -20.515 12.610 12.610 235 HD2 HIS 31 HD2 HIS 31 -16.943 12.839 12.839 236 HE1 HIS 31 HE1 HIS 31 -19.200 15.015 15.015 237 HE2 HIS 31 HE2 HIS 31 -16.891 14.643 14.643 238 H ARG 32 HN ARG 32 -21.444 9.186 9.186 239 HA ARG 32 HA ARG 32 -24.169 10.091 10.091 240 1HB ARG 32 HB2 ARG 32 -23.417 9.499 9.499 241 2HB ARG 32 HB1 ARG 32 -24.761 10.447 10.447 242 1HG ARG 32 HG1 ARG 32 -22.165 11.556 11.556 243 2HG ARG 32 HG2 ARG 32 -22.428 11.438 11.438 244 1HD ARG 32 HD1 ARG 32 -23.351 13.490 13.490 245 2HD ARG 32 HD2 ARG 32 -24.769 12.464 12.464 246 HE ARG 32 HE ARG 32 -24.763 12.955 12.955 247 1HH1 ARG 32 HH11 ARG 32 -21.811 14.076 14.076 248 2HH1 ARG 32 HH12 ARG 32 -21.310 14.979 14.979 249 1HH2 ARG 32 HH21 ARG 32 -24.113 14.141 14.141 250 2HH2 ARG 32 HH22 ARG 32 -22.620 15.016 15.016 251 H GLU 33 HN GLU 33 -22.800 7.822 7.822 252 HA GLU 33 HA GLU 33 -24.719 5.882 5.882 253 1HB GLU 33 HB1 GLU 33 -22.483 6.107 6.107 254 2HB GLU 33 HB2 GLU 33 -21.894 4.963 4.963 255 1HG GLU 33 HG1 GLU 33 -23.962 4.616 4.616 256 2HG GLU 33 HG2 GLU 33 -22.645 3.546 3.546 257 H LEU 34 HN LEU 34 -22.310 6.644 6.644 258 HA LEU 34 HA LEU 34 -21.835 5.820 5.820 259 1HB LEU 34 HB1 LEU 34 -24.607 5.629 5.629 260 2HB LEU 34 HB2 LEU 34 -24.120 4.083 4.083 261 HG LEU 34 HG LEU 34 -23.940 6.810 6.810 262 1HD1 LEU 34 HD13 LEU 34 -25.628 4.673 4.673 263 2HD1 LEU 34 HD12 LEU 34 -24.489 4.484 4.484 264 3HD1 LEU 34 HD11 LEU 34 -25.391 5.988 5.988 265 1HD2 LEU 34 HD22 LEU 34 -22.126 4.485 4.485 266 2HD2 LEU 34 HD21 LEU 34 -21.712 6.182 6.182 267 3HD2 LEU 34 HD23 LEU 34 -22.506 5.668 5.668 268 H VAL 35 HN VAL 35 -21.446 4.178 4.178 269 HA VAL 35 HA VAL 35 -21.605 1.478 1.478 270 HB VAL 35 HB VAL 35 -20.701 2.571 2.571 271 1HG1 VAL 35 HG21 VAL 35 -19.195 4.147 4.147 272 2HG1 VAL 35 HG23 VAL 35 -18.143 2.798 2.798 273 3HG1 VAL 35 HG22 VAL 35 -18.378 3.231 3.231 274 1HG2 VAL 35 HG11 VAL 35 -20.190 0.089 0.089 275 2HG2 VAL 35 HG13 VAL 35 -19.684 0.671 0.671 276 3HG2 VAL 35 HG12 VAL 35 -18.547 0.685 0.685 277 H HIS 36 HN HIS 36 -20.121 -0.137 -0.137 278 HA HIS 36 HA HIS 36 -18.769 0.665 0.665 279 1HB HIS 36 HB2 HIS 36 -20.252 -1.601 -1.601 280 2HB HIS 36 HB1 HIS 36 -18.602 -2.158 -2.158 281 HD2 HIS 36 HD2 HIS 36 -20.019 0.648 0.648 282 HE1 HIS 36 HE1 HIS 36 -19.745 -2.944 -2.944 283 HE2 HIS 36 HE2 HIS 36 -20.382 -0.492 -0.492 284 HA PRO 37 HA PRO 37 -14.835 0.698 0.698 285 1HB PRO 37 HB1 PRO 37 -13.316 0.900 0.900 286 2HB PRO 37 HB2 PRO 37 -14.112 2.271 2.271 287 1HG PRO 37 HG1 PRO 37 -15.001 0.646 0.646 288 2HG PRO 37 HG2 PRO 37 -15.057 2.404 2.404 289 1HD PRO 37 HD1 PRO 37 -17.241 0.875 0.875 290 2HD PRO 37 HD2 PRO 37 -16.945 2.294 2.294 291 H ASP 38 HN ASP 38 -16.063 -1.628 -1.628 292 HA ASP 38 HA ASP 38 -13.725 -3.373 -3.373 293 1HB ASP 38 HB2 ASP 38 -15.741 -4.457 -4.457 294 2HB ASP 38 HB1 ASP 38 -15.284 -2.832 -2.832 295 H ALA 39 HN ALA 39 -16.002 -2.752 -2.752 296 HA ALA 39 HA ALA 39 -17.209 -5.406 -5.406 297 1HB ALA 39 HB1 ALA 39 -18.686 -3.434 -3.434 298 2HB ALA 39 HB3 ALA 39 -17.809 -2.877 -2.877 299 3HB ALA 39 HB2 ALA 39 -18.723 -4.384 -4.384 300 H LEU 40 HN LEU 40 -16.937 -6.691 -6.691 301 HA LEU 40 HA LEU 40 -14.814 -5.854 -5.854 302 1HB LEU 40 HB2 LEU 40 -15.396 -8.695 -8.695 303 2HB LEU 40 HB1 LEU 40 -14.024 -8.107 -8.107 304 HG LEU 40 HG LEU 40 -13.311 -6.837 -6.837 305 1HD1 LEU 40 HD21 LEU 40 -15.724 -8.217 -8.217 306 2HD1 LEU 40 HD23 LEU 40 -14.327 -8.064 -8.064 307 3HD1 LEU 40 HD22 LEU 40 -15.076 -6.622 -6.622 308 1HD2 LEU 40 HD13 LEU 40 -13.357 -9.787 -9.787 309 2HD2 LEU 40 HD12 LEU 40 -11.993 -8.670 -8.670 310 3HD2 LEU 40 HD11 LEU 40 -12.779 -9.121 -9.121 311 H ASN 41 HN ASN 41 -14.905 -6.864 -6.864 312 HA ASN 41 HA ASN 41 -17.525 -6.691 -6.691 313 1HB ASN 41 HB2 ASN 41 -15.264 -7.900 -7.900 314 2HB ASN 41 HB1 ASN 41 -16.506 -6.772 -6.772 315 1HD2 ASN 41 HD22 ASN 41 -12.971 -5.344 -5.344 316 2HD2 ASN 41 HD21 ASN 41 -13.387 -6.945 -6.945 317 H ARG 42 HN ARG 42 -17.367 -8.716 -8.716 318 HA ARG 42 HA ARG 42 -18.521 -10.896 -10.896 319 1HB ARG 42 HB2 ARG 42 -17.917 -11.237 -11.237 320 2HB ARG 42 HB1 ARG 42 -19.396 -11.573 -11.573 321 1HG ARG 42 HG1 ARG 42 -20.193 -9.793 -9.793 322 2HG ARG 42 HG2 ARG 42 -19.319 -8.866 -8.866 323 1HD ARG 42 HD2 ARG 42 -17.473 -9.559 -9.559 324 2HD ARG 42 HD1 ARG 42 -18.920 -8.931 -8.931 325 HE ARG 42 HE ARG 42 -18.368 -7.167 -7.167 326 1HH1 ARG 42 HH21 ARG 42 -16.694 -8.378 -8.378 327 2HH1 ARG 42 HH22 ARG 42 -15.778 -6.929 -6.929 328 1HH2 ARG 42 HH11 ARG 42 -17.166 -5.252 -5.252 329 2HH2 ARG 42 HH12 ARG 42 -16.044 -5.152 -5.152 330 H PHE 43 HN PHE 43 -15.388 -10.081 -10.081 331 HA PHE 43 HA PHE 43 -14.465 -12.836 -12.836 332 1HB PHE 43 HB2 PHE 43 -12.736 -10.368 -10.368 333 2HB PHE 43 HB1 PHE 43 -12.353 -11.940 -11.940 334 HD1 PHE 43 HD1 PHE 43 -15.014 -12.329 -12.329 335 HD2 PHE 43 HD2 PHE 43 -12.313 -9.037 -9.037 336 HE1 PHE 43 HE1 PHE 43 -15.790 -11.546 -11.546 337 HE2 PHE 43 HE2 PHE 43 -13.085 -8.247 -8.247 338 HZ PHE 43 HZ PHE 43 -14.825 -9.502 -9.502 339 H GLY 44 HN GLY 44 -14.090 -10.065 -10.065 340 1HA GLY 44 HA1 GLY 44 -14.187 -10.657 -10.657 341 2HA GLY 44 HA2 GLY 44 -13.056 -11.946 -11.946 342 H LYS 45 HN LYS 45 -12.976 -8.628 -8.628 343 HA LYS 45 HA LYS 45 -10.431 -8.256 -8.256 344 1HB LYS 45 HB1 LYS 45 -11.137 -6.853 -6.853 345 2HB LYS 45 HB2 LYS 45 -9.554 -7.052 -7.052 346 1HG LYS 45 HG2 LYS 45 -9.345 -9.238 -9.238 347 2HG LYS 45 HG1 LYS 45 -11.087 -9.448 -9.448 348 1HD LYS 45 HD2 LYS 45 -10.668 -9.149 -9.149 349 2HD LYS 45 HD1 LYS 45 -10.589 -7.437 -7.437 350 1HE LYS 45 HE2 LYS 45 -8.314 -7.362 -7.362 351 2HE LYS 45 HE1 LYS 45 -8.120 -9.053 -9.053 352 1HZ LYS 45 HZ1 LYS 45 -9.437 -8.588 -8.588 353 2HZ LYS 45 HZ3 LYS 45 -7.803 -8.155 -8.155 354 3HZ LYS 45 HZ2 LYS 45 -8.272 -9.739 -9.739 355 H THR 46 HN THR 46 -10.042 -6.295 -6.295 356 HA THR 46 HA THR 46 -12.409 -4.749 -4.749 357 HB THR 46 HB THR 46 -10.394 -3.495 -3.495 358 HG1 THR 46 HG1 THR 46 -8.905 -5.024 -5.024 359 1HG2 THR 46 HG21 THR 46 -12.349 -5.512 -5.512 360 2HG2 THR 46 HG23 THR 46 -10.892 -5.667 -5.667 361 3HG2 THR 46 HG22 THR 46 -11.776 -4.140 -4.140 362 H ALA 47 HN ALA 47 -12.462 -2.417 -2.417 363 HA ALA 47 HA ALA 47 -11.841 -1.389 -1.389 364 1HB ALA 47 HB2 ALA 47 -13.594 -0.480 -0.480 365 2HB ALA 47 HB1 ALA 47 -12.353 0.167 0.167 366 3HB ALA 47 HB3 ALA 47 -12.499 0.775 0.775 367 H LEU 48 HN LEU 48 -10.055 -1.261 -1.261 368 HA LEU 48 HA LEU 48 -8.152 0.671 0.671 369 1HB LEU 48 HB1 LEU 48 -8.585 -1.152 -1.152 370 2HB LEU 48 HB2 LEU 48 -6.909 -1.270 -1.270 371 HG LEU 48 HG LEU 48 -8.374 1.085 1.085 372 1HD1 LEU 48 HD13 LEU 48 -6.657 -0.787 -0.787 373 2HD1 LEU 48 HD12 LEU 48 -5.607 0.595 0.595 374 3HD1 LEU 48 HD11 LEU 48 -7.038 0.786 0.786 375 1HD2 LEU 48 HD23 LEU 48 -6.413 1.165 1.165 376 2HD2 LEU 48 HD22 LEU 48 -7.370 2.469 2.469 377 3HD2 LEU 48 HD21 LEU 48 -5.843 1.995 1.995 378 H GLN 49 HN GLN 49 -8.307 -2.797 -2.797 379 HA GLN 49 HA GLN 49 -5.653 -3.012 -3.012 380 1HB GLN 49 HB1 GLN 49 -7.691 -4.977 -4.977 381 2HB GLN 49 HB2 GLN 49 -6.079 -5.239 -5.239 382 1HG GLN 49 HG2 GLN 49 -7.015 -4.547 -4.547 383 2HG GLN 49 HG1 GLN 49 -8.611 -4.653 -4.653 384 1HE2 GLN 49 HE22 GLN 49 -6.443 -8.119 -8.119 385 2HE2 GLN 49 HE21 GLN 49 -5.664 -6.630 -6.630 386 H VAL 50 HN VAL 50 -8.851 -3.106 -3.106 387 HA VAL 50 HA VAL 50 -7.907 -3.120 -3.120 388 HB VAL 50 HB VAL 50 -10.227 -1.939 -1.939 389 1HG1 VAL 50 HG13 VAL 50 -9.333 -4.583 -4.583 390 2HG1 VAL 50 HG12 VAL 50 -10.883 -4.533 -4.533 391 3HG1 VAL 50 HG11 VAL 50 -10.769 -3.998 -3.998 392 1HG2 VAL 50 HG23 VAL 50 -10.248 -1.561 -1.561 393 2HG2 VAL 50 HG22 VAL 50 -11.727 -1.845 -1.845 394 3HG2 VAL 50 HG21 VAL 50 -10.971 -3.171 -3.171 395 H MET 51 HN MET 51 -7.977 -0.590 -0.590 396 HA MET 51 HA MET 51 -8.326 1.725 1.725 397 1HB MET 51 HB2 MET 51 -7.237 1.055 1.055 398 2HB MET 51 HB1 MET 51 -5.887 1.822 1.822 399 1HG MET 51 HG1 MET 51 -7.282 3.789 3.789 400 2HG MET 51 HG2 MET 51 -8.615 3.020 3.020 401 1HE MET 51 HE3 MET 51 -5.458 1.889 1.889 402 2HE MET 51 HE2 MET 51 -4.655 3.366 3.366 403 3HE MET 51 HE1 MET 51 -4.922 3.075 3.075 404 H MET 52 HN MET 52 -7.048 3.118 3.118 405 HA MET 52 HA MET 52 -4.845 1.768 1.768 406 1HB MET 52 HB1 MET 52 -5.332 3.520 3.520 407 2HB MET 52 HB2 MET 52 -6.527 2.250 2.250 408 1HG MET 52 HG1 MET 52 -7.639 4.351 4.351 409 2HG MET 52 HG2 MET 52 -7.876 3.785 3.785 410 1HE MET 52 HE2 MET 52 -8.451 5.547 5.547 411 2HE MET 52 HE1 MET 52 -6.980 5.306 5.306 412 3HE MET 52 HE3 MET 52 -7.462 6.933 6.933 413 H PHE 53 HN PHE 53 -4.764 3.373 3.373 414 HA PHE 53 HA PHE 53 -3.700 5.223 5.223 415 1HB PHE 53 HB2 PHE 53 -1.505 4.076 4.076 416 2HB PHE 53 HB1 PHE 53 -1.291 5.023 5.023 417 HD1 PHE 53 HD1 PHE 53 -3.215 1.986 1.986 418 HD2 PHE 53 HD2 PHE 53 -0.638 3.821 3.821 419 HE1 PHE 53 HE1 PHE 53 -3.222 -0.089 -0.089 420 HE2 PHE 53 HE2 PHE 53 -0.642 1.748 1.748 421 HZ PHE 53 HZ PHE 53 -1.933 -0.208 -0.208 422 H GLY 54 HN GLY 54 -5.195 6.446 6.446 423 1HA GLY 54 HA2 GLY 54 -3.439 8.044 8.044 424 2HA GLY 54 HA1 GLY 54 -5.171 7.848 7.848 425 H SER 55 HN SER 55 -6.549 8.719 8.719 426 HA SER 55 HA SER 55 -5.655 11.412 11.412 427 1HB SER 55 HB2 SER 55 -7.835 11.905 11.905 428 2HB SER 55 HB1 SER 55 -8.159 10.210 10.210 429 HG SER 55 HG SER 55 -8.579 11.613 11.613 430 HA PRO 56 HA PRO 56 -3.967 10.336 10.336 431 1HB PRO 56 HB2 PRO 56 -4.449 13.239 13.239 432 2HB PRO 56 HB1 PRO 56 -2.977 12.292 12.292 433 1HG PRO 56 HG1 PRO 56 -3.219 13.933 13.933 434 2HG PRO 56 HG2 PRO 56 -2.406 12.364 12.364 435 1HD PRO 56 HD1 PRO 56 -5.135 13.185 13.185 436 2HD PRO 56 HD2 PRO 56 -3.972 12.085 12.085 437 H ALA 57 HN ALA 57 -6.695 12.610 12.610 438 HA ALA 57 HA ALA 57 -7.668 12.215 12.215 439 1HB ALA 57 HB3 ALA 57 -8.278 13.916 13.916 440 2HB ALA 57 HB2 ALA 57 -9.688 12.857 12.857 441 3HB ALA 57 HB1 ALA 57 -9.230 13.728 13.728 442 H VAL 58 HN VAL 58 -8.148 10.441 10.441 443 HA VAL 58 HA VAL 58 -10.427 8.986 8.986 444 HB VAL 58 HB VAL 58 -8.242 8.654 8.654 445 1HG1 VAL 58 HG11 VAL 58 -10.162 6.443 6.443 446 2HG1 VAL 58 HG13 VAL 58 -9.162 6.497 6.497 447 3HG1 VAL 58 HG12 VAL 58 -8.405 6.404 6.404 448 1HG2 VAL 58 HG22 VAL 58 -10.778 9.721 9.721 449 2HG2 VAL 58 HG21 VAL 58 -9.808 9.334 9.334 450 3HG2 VAL 58 HG23 VAL 58 -10.984 8.168 8.168 451 H ALA 59 HN ALA 59 -6.967 8.264 8.264 452 HA ALA 59 HA ALA 59 -7.270 5.762 5.762 453 1HB ALA 59 HB2 ALA 59 -5.050 7.724 7.724 454 2HB ALA 59 HB1 ALA 59 -4.883 6.414 6.414 455 3HB ALA 59 HB3 ALA 59 -5.147 6.045 6.045 456 H LEU 60 HN LEU 60 -6.679 8.988 8.988 457 HA LEU 60 HA LEU 60 -6.666 8.207 8.207 458 1HB LEU 60 HB1 LEU 60 -5.881 10.399 10.399 459 2HB LEU 60 HB2 LEU 60 -7.564 10.891 10.891 460 HG LEU 60 HG LEU 60 -5.869 10.225 10.225 461 1HD1 LEU 60 HD12 LEU 60 -5.549 12.444 12.444 462 2HD1 LEU 60 HD11 LEU 60 -7.206 12.825 12.825 463 3HD1 LEU 60 HD13 LEU 60 -5.986 12.520 12.520 464 1HD2 LEU 60 HD22 LEU 60 -8.804 10.600 10.600 465 2HD2 LEU 60 HD21 LEU 60 -7.918 9.499 9.499 466 3HD2 LEU 60 HD23 LEU 60 -8.025 11.212 11.212 467 H GLU 61 HN GLU 61 -9.297 9.376 9.376 468 HA GLU 61 HA GLU 61 -11.267 9.535 9.535 469 1HB GLU 61 HB2 GLU 61 -11.253 10.372 10.372 470 2HB GLU 61 HB1 GLU 61 -11.956 8.799 8.799 471 1HG GLU 61 HG1 GLU 61 -13.918 9.287 9.287 472 2HG GLU 61 HG2 GLU 61 -13.164 10.453 10.453 473 H LEU 62 HN LEU 62 -10.890 6.991 6.991 474 HA LEU 62 HA LEU 62 -12.749 5.243 5.243 475 1HB LEU 62 HB2 LEU 62 -12.411 4.031 4.031 476 2HB LEU 62 HB1 LEU 62 -11.337 5.315 5.315 477 HG LEU 62 HG LEU 62 -9.451 4.024 4.024 478 1HD1 LEU 62 HD23 LEU 62 -11.605 2.451 2.451 479 2HD1 LEU 62 HD22 LEU 62 -10.680 1.459 1.459 480 3HD1 LEU 62 HD21 LEU 62 -9.879 2.196 2.196 481 1HD2 LEU 62 HD11 LEU 62 -10.254 4.017 4.017 482 2HD2 LEU 62 HD13 LEU 62 -9.020 2.882 2.882 483 3HD2 LEU 62 HD12 LEU 62 -10.690 2.347 2.347 484 H LEU 63 HN LEU 63 -9.265 5.584 5.584 485 HA LEU 63 HA LEU 63 -8.825 3.228 3.228 486 1HB LEU 63 HB2 LEU 63 -6.965 4.399 4.399 487 2HB LEU 63 HB1 LEU 63 -7.360 5.859 5.859 488 HG LEU 63 HG LEU 63 -6.757 4.771 4.771 489 1HD1 LEU 63 HD23 LEU 63 -7.315 2.432 2.432 490 2HD1 LEU 63 HD22 LEU 63 -5.556 2.431 2.431 491 3HD1 LEU 63 HD21 LEU 63 -6.324 2.573 2.573 492 1HD2 LEU 63 HD11 LEU 63 -5.064 5.829 5.829 493 2HD2 LEU 63 HD13 LEU 63 -4.488 4.996 4.996 494 3HD2 LEU 63 HD12 LEU 63 -4.466 4.174 4.174 495 H LYS 64 HN LYS 64 -9.325 6.577 6.577 496 HA LYS 64 HA LYS 64 -9.302 5.983 5.983 497 1HB LYS 64 HB1 LYS 64 -9.049 8.260 8.260 498 2HB LYS 64 HB2 LYS 64 -10.765 8.247 8.247 499 1HG LYS 64 HG1 LYS 64 -11.252 7.994 7.994 500 2HG LYS 64 HG2 LYS 64 -9.525 8.149 8.149 501 1HD LYS 64 HD1 LYS 64 -10.688 10.262 10.262 502 2HD LYS 64 HD2 LYS 64 -11.260 10.224 10.224 503 1HE LYS 64 HE2 LYS 64 -8.349 9.941 9.941 504 2HE LYS 64 HE1 LYS 64 -9.032 11.514 11.514 505 1HZ LYS 64 HZ3 LYS 64 -9.559 10.163 10.163 506 2HZ LYS 64 HZ2 LYS 64 -8.269 11.233 11.233 507 3HZ LYS 64 HZ1 LYS 64 -9.860 11.777 11.777 508 H GLN 65 HN GLN 65 -11.867 5.912 5.912 509 HA GLN 65 HA GLN 65 -14.139 5.901 5.901 510 1HB GLN 65 HB1 GLN 65 -13.547 5.290 5.290 511 2HB GLN 65 HB2 GLN 65 -14.106 3.742 3.742 512 1HG GLN 65 HG1 GLN 65 -15.911 5.040 5.040 513 2HG GLN 65 HG2 GLN 65 -16.193 4.732 4.732 514 1HE2 GLN 65 HE22 GLN 65 -14.795 8.492 8.492 515 2HE2 GLN 65 HE21 GLN 65 -13.894 7.102 7.102 516 H GLY 66 HN GLY 66 -11.641 3.508 3.508 517 1HA GLY 66 HA1 GLY 66 -11.803 2.245 2.245 518 2HA GLY 66 HA2 GLY 66 -13.304 1.647 1.647 519 H ALA 67 HN ALA 67 -11.753 1.810 1.810 520 HA ALA 67 HA ALA 67 -11.341 -0.798 -0.798 521 1HB ALA 67 HB2 ALA 67 -10.837 1.482 1.482 522 2HB ALA 67 HB1 ALA 67 -9.200 0.882 0.882 523 3HB ALA 67 HB3 ALA 67 -10.391 -0.131 -0.131 524 H SER 68 HN SER 68 -9.643 -2.290 -2.290 525 HA SER 68 HA SER 68 -7.714 -1.772 -1.772 526 1HB SER 68 HB2 SER 68 -9.379 -3.975 -3.975 527 2HB SER 68 HB1 SER 68 -7.729 -4.511 -4.511 528 HG SER 68 HG SER 68 -7.200 -4.178 -4.178 529 HA PRO 69 HA PRO 69 -4.594 -1.515 -1.515 530 1HB PRO 69 HB1 PRO 69 -2.483 -1.157 -1.157 531 2HB PRO 69 HB2 PRO 69 -3.647 0.128 0.128 532 1HG PRO 69 HG2 PRO 69 -3.483 -1.698 -1.698 533 2HG PRO 69 HG1 PRO 69 -3.789 0.049 0.049 534 1HD PRO 69 HD1 PRO 69 -5.772 -1.782 -1.782 535 2HD PRO 69 HD2 PRO 69 -6.010 -0.227 -0.227 536 H ASN 70 HN ASN 70 -4.861 -3.854 -3.854 537 HA ASN 70 HA ASN 70 -2.578 -5.410 -5.410 538 1HB ASN 70 HB1 ASN 70 -4.652 -6.223 -6.223 539 2HB ASN 70 HB2 ASN 70 -3.021 -6.860 -6.860 540 1HD2 ASN 70 HD22 ASN 70 -1.517 -4.478 -4.478 541 2HD2 ASN 70 HD21 ASN 70 -1.370 -5.892 -5.892 542 H VAL 71 HN VAL 71 -3.997 -5.253 -5.253 543 HA VAL 71 HA VAL 71 -5.777 -7.586 -7.586 544 HB VAL 71 HB VAL 71 -6.619 -6.718 -6.718 545 1HG1 VAL 71 HG12 VAL 71 -6.510 -4.969 -4.969 546 2HG1 VAL 71 HG11 VAL 71 -7.103 -4.234 -4.234 547 3HG1 VAL 71 HG13 VAL 71 -7.897 -5.666 -5.666 548 1HG2 VAL 71 HG21 VAL 71 -4.111 -5.464 -5.464 549 2HG2 VAL 71 HG23 VAL 71 -5.419 -5.435 -5.435 550 3HG2 VAL 71 HG22 VAL 71 -5.310 -4.171 -4.171 551 H GLN 72 HN GLN 72 -5.666 -8.665 -8.665 552 HA GLN 72 HA GLN 72 -2.992 -8.835 -8.835 553 1HB GLN 72 HB2 GLN 72 -4.149 -10.922 -10.922 554 2HB GLN 72 HB1 GLN 72 -3.318 -11.481 -11.481 555 1HG GLN 72 HG2 GLN 72 -1.512 -11.424 -11.424 556 2HG GLN 72 HG1 GLN 72 -1.520 -9.704 -9.704 557 1HE2 GLN 72 HE22 GLN 72 -1.225 -10.159 -10.159 558 2HE2 GLN 72 HE21 GLN 72 -0.338 -10.705 -10.705 559 H ASP 73 HN ASP 73 -3.081 -9.215 -9.215 560 HA ASP 73 HA ASP 73 -5.651 -10.082 -10.082 561 1HB ASP 73 HB2 ASP 73 -4.435 -7.844 -7.844 562 2HB ASP 73 HB1 ASP 73 -3.448 -8.885 -8.885 563 H ALA 74 HN ALA 74 -5.815 -12.037 -12.037 564 HA ALA 74 HA ALA 74 -5.297 -14.045 -14.045 565 1HB ALA 74 HB3 ALA 74 -2.818 -12.577 -12.577 566 2HB ALA 74 HB2 ALA 74 -3.289 -14.183 -14.183 567 3HB ALA 74 HB1 ALA 74 -4.307 -12.790 -12.790 568 H SER 75 HN SER 75 -1.991 -13.047 -13.047 569 HA SER 75 HA SER 75 -1.892 -15.281 -15.281 570 1HB SER 75 HB2 SER 75 -0.451 -15.797 -15.797 571 2HB SER 75 HB1 SER 75 0.262 -14.184 -14.184 572 HG SER 75 HG SER 75 1.274 -14.678 -14.678 573 H GLY 76 HN GLY 76 -0.001 -12.335 -12.335 574 1HA GLY 76 HA1 GLY 76 -0.515 -11.301 -11.301 575 2HA GLY 76 HA2 GLY 76 1.138 -11.836 -11.836 576 H THR 77 HN THR 77 -0.638 -10.524 -10.524 577 HA THR 77 HA THR 77 1.254 -8.351 -8.351 578 HB THR 77 HB THR 77 -1.154 -8.825 -8.825 579 HG1 THR 77 HG1 THR 77 -0.179 -10.453 -10.453 580 1HG2 THR 77 HG23 THR 77 1.370 -7.289 -7.289 581 2HG2 THR 77 HG22 THR 77 0.693 -8.057 -8.057 582 3HG2 THR 77 HG21 THR 77 -0.265 -6.888 -6.888 583 H SER 78 HN SER 78 0.343 -7.569 -7.569 584 HA SER 78 HA SER 78 -2.166 -6.361 -6.361 585 1HB SER 78 HB2 SER 78 -0.297 -4.834 -4.834 586 2HB SER 78 HB1 SER 78 -1.418 -6.068 -6.068 587 HG SER 78 HG SER 78 0.157 -7.624 -7.624 588 HA PRO 79 HA PRO 79 -2.304 -2.474 -2.474 589 1HB PRO 79 HB1 PRO 79 -1.983 -1.064 -1.064 590 2HB PRO 79 HB2 PRO 79 -3.203 -0.837 -0.837 591 1HG PRO 79 HG2 PRO 79 -3.790 -2.143 -2.143 592 2HG PRO 79 HG1 PRO 79 -4.438 -2.678 -2.678 593 1HD PRO 79 HD2 PRO 79 -2.252 -3.851 -3.851 594 2HD PRO 79 HD1 PRO 79 -3.433 -4.656 -4.656 595 H VAL 80 HN VAL 80 0.044 -2.404 -2.404 596 HA VAL 80 HA VAL 80 1.708 -0.405 -0.405 597 HB VAL 80 HB VAL 80 1.727 -2.207 -2.207 598 1HG1 VAL 80 HG11 VAL 80 3.047 -3.822 -3.822 599 2HG1 VAL 80 HG13 VAL 80 4.274 -2.594 -2.594 600 3HG1 VAL 80 HG12 VAL 80 3.979 -3.153 -3.153 601 1HG2 VAL 80 HG23 VAL 80 2.754 0.275 0.275 602 2HG2 VAL 80 HG22 VAL 80 2.784 -0.508 -0.508 603 3HG2 VAL 80 HG21 VAL 80 4.166 -0.661 -0.661 604 H HIS 81 HN HIS 81 1.708 -3.831 -3.831 605 HA HIS 81 HA HIS 81 4.072 -3.976 -3.976 606 1HB HIS 81 HB1 HIS 81 1.480 -5.428 -5.428 607 2HB HIS 81 HB2 HIS 81 2.569 -5.636 -5.636 608 HD2 HIS 81 HD2 HIS 81 5.258 -6.488 -6.488 609 HE1 HIS 81 HE1 HIS 81 3.557 -8.527 -8.527 610 HE2 HIS 81 HE2 HIS 81 5.681 -8.114 -8.114 611 H ASP 82 HN ASP 82 0.874 -3.572 -3.572 612 HA ASP 82 HA ASP 82 1.904 -2.770 -2.770 613 1HB ASP 82 HB1 ASP 82 -0.618 -3.343 -3.343 614 2HB ASP 82 HB2 ASP 82 -0.726 -1.663 -1.663 615 H ALA 83 HN ALA 83 1.131 -0.987 -0.987 616 HA ALA 83 HA ALA 83 0.903 1.593 1.593 617 1HB ALA 83 HB2 ALA 83 0.798 0.572 0.572 618 2HB ALA 83 HB1 ALA 83 2.448 1.194 1.194 619 3HB ALA 83 HB3 ALA 83 1.106 2.286 2.286 620 H ALA 84 HN ALA 84 3.823 -0.282 -0.282 621 HA ALA 84 HA ALA 84 5.639 1.862 1.862 622 1HB ALA 84 HB3 ALA 84 6.035 -1.124 -1.124 623 2HB ALA 84 HB2 ALA 84 7.345 0.049 0.049 624 3HB ALA 84 HB1 ALA 84 6.355 -0.001 -0.001 625 H ARG 85 HN ARG 85 4.633 -0.886 -0.886 626 HA ARG 85 HA ARG 85 6.146 -0.021 -0.021 627 1HB ARG 85 HB1 ARG 85 3.785 -1.870 -1.870 628 2HB ARG 85 HB2 ARG 85 5.254 -1.875 -1.875 629 1HG ARG 85 HG2 ARG 85 6.513 -2.565 -2.565 630 2HG ARG 85 HG1 ARG 85 4.974 -2.702 -2.702 631 1HD ARG 85 HD1 ARG 85 4.426 -4.172 -4.172 632 2HD ARG 85 HD2 ARG 85 6.165 -4.439 -4.439 633 HE ARG 85 HE ARG 85 4.714 -4.827 -4.827 634 1HH1 ARG 85 HH21 ARG 85 5.944 -6.290 -6.290 635 2HH1 ARG 85 HH22 ARG 85 5.956 -7.893 -7.893 636 1HH2 ARG 85 HH11 ARG 85 4.723 -6.934 -6.934 637 2HH2 ARG 85 HH12 ARG 85 5.261 -8.259 -8.259 638 H THR 86 HN THR 86 2.950 0.631 0.631 639 HA THR 86 HA THR 86 1.830 1.542 1.542 640 HB THR 86 HB THR 86 0.126 2.624 2.624 641 HG1 THR 86 HG1 THR 86 1.594 1.316 1.316 642 1HG2 THR 86 HG22 THR 86 0.768 -0.272 -0.272 643 2HG2 THR 86 HG21 THR 86 -0.478 0.347 0.347 644 3HG2 THR 86 HG23 THR 86 -0.638 0.565 0.565 645 H GLY 87 HN GLY 87 4.305 2.812 2.812 646 1HA GLY 87 HA2 GLY 87 5.211 4.924 4.924 647 2HA GLY 87 HA1 GLY 87 4.705 5.087 5.087 648 H PHE 88 HN PHE 88 3.573 5.453 5.453 649 HA PHE 88 HA PHE 88 2.302 7.949 7.949 650 1HB PHE 88 HB2 PHE 88 0.697 5.476 5.476 651 2HB PHE 88 HB1 PHE 88 0.089 7.046 7.046 652 HD1 PHE 88 HD2 PHE 88 0.656 8.869 8.869 653 HD2 PHE 88 HD1 PHE 88 -0.388 4.746 4.746 654 HE1 PHE 88 HE2 PHE 88 -0.228 9.268 9.268 655 HE2 PHE 88 HE1 PHE 88 -1.273 5.138 5.138 656 HZ PHE 88 HZ PHE 88 -1.194 7.402 7.402 657 H LEU 89 HN LEU 89 4.263 7.977 7.977 658 HA LEU 89 HA LEU 89 4.091 7.177 7.177 659 1HB LEU 89 HB2 LEU 89 6.113 8.125 8.125 660 2HB LEU 89 HB1 LEU 89 5.326 9.672 9.672 661 HG LEU 89 HG LEU 89 5.108 9.928 9.928 662 1HD1 LEU 89 HD21 LEU 89 6.607 7.317 7.317 663 2HD1 LEU 89 HD23 LEU 89 6.455 8.387 8.387 664 3HD1 LEU 89 HD22 LEU 89 5.016 7.657 7.657 665 1HD2 LEU 89 HD13 LEU 89 7.690 9.703 9.703 666 2HD2 LEU 89 HD12 LEU 89 6.958 11.082 11.082 667 3HD2 LEU 89 HD11 LEU 89 7.762 9.824 9.824 668 H ASP 90 HN ASP 90 2.233 9.561 9.561 669 HA ASP 90 HA ASP 90 1.583 11.249 11.249 670 1HB ASP 90 HB1 ASP 90 -0.346 10.608 10.608 671 2HB ASP 90 HB2 ASP 90 -0.114 12.132 12.132 672 H THR 91 HN THR 91 -0.641 8.896 8.896 673 HA THR 91 HA THR 91 -2.213 8.724 8.724 674 HB THR 91 HB THR 91 -2.448 6.619 6.619 675 HG1 THR 91 HG1 THR 91 -2.576 9.349 9.349 676 1HG2 THR 91 HG21 THR 91 -4.220 8.103 8.103 677 2HG2 THR 91 HG23 THR 91 -4.867 7.790 7.790 678 3HG2 THR 91 HG22 THR 91 -4.326 6.448 6.448 679 H LEU 92 HN LEU 92 0.560 7.106 7.106 680 HA LEU 92 HA LEU 92 0.228 4.663 4.663 681 1HB LEU 92 HB2 LEU 92 1.674 4.596 4.596 682 2HB LEU 92 HB1 LEU 92 2.572 6.000 6.000 683 HG LEU 92 HG LEU 92 2.594 3.401 3.401 684 1HD1 LEU 92 HD11 LEU 92 3.587 3.756 3.756 685 2HD1 LEU 92 HD13 LEU 92 4.988 3.906 3.906 686 3HD1 LEU 92 HD12 LEU 92 3.982 2.458 2.458 687 1HD2 LEU 92 HD22 LEU 92 4.044 5.986 5.986 688 2HD2 LEU 92 HD21 LEU 92 3.502 4.924 4.924 689 3HD2 LEU 92 HD23 LEU 92 4.946 4.517 4.517 690 H LYS 93 HN LYS 93 1.932 7.700 7.700 691 HA LYS 93 HA LYS 93 3.166 6.931 6.931 692 1HB LYS 93 HB1 LYS 93 3.912 8.858 8.858 693 2HB LYS 93 HB2 LYS 93 2.402 9.689 9.689 694 1HG LYS 93 HG1 LYS 93 2.985 9.595 9.595 695 2HG LYS 93 HG2 LYS 93 4.558 8.939 8.939 696 1HD LYS 93 HD2 LYS 93 3.422 11.626 11.626 697 2HD LYS 93 HD1 LYS 93 4.756 11.317 11.317 698 1HE LYS 93 HE2 LYS 93 6.020 10.304 10.304 699 2HE LYS 93 HE1 LYS 93 4.712 10.773 10.773 700 1HZ LYS 93 HZ3 LYS 93 5.908 12.849 12.849 701 2HZ LYS 93 HZ2 LYS 93 6.807 12.289 12.289 702 3HZ LYS 93 HZ1 LYS 93 5.273 12.957 12.957 703 H VAL 94 HN VAL 94 0.023 8.375 8.375 704 HA VAL 94 HA VAL 94 -0.685 9.150 9.150 705 HB VAL 94 HB VAL 94 -2.973 7.984 7.984 706 1HG1 VAL 94 HG12 VAL 94 -2.106 10.581 10.581 707 2HG1 VAL 94 HG11 VAL 94 -3.459 10.587 10.587 708 3HG1 VAL 94 HG13 VAL 94 -3.544 9.619 9.619 709 1HG2 VAL 94 HG21 VAL 94 -1.330 9.971 9.971 710 2HG2 VAL 94 HG23 VAL 94 -1.668 8.303 8.303 711 3HG2 VAL 94 HG22 VAL 94 -2.980 9.477 9.477 712 H LEU 95 HN LEU 95 -1.557 6.078 6.078 713 HA LEU 95 HA LEU 95 -2.488 4.910 4.910 714 1HB LEU 95 HB1 LEU 95 -2.709 2.861 2.861 715 2HB LEU 95 HB2 LEU 95 -3.386 4.229 4.229 716 HG LEU 95 HG LEU 95 -0.761 4.088 4.088 717 1HD1 LEU 95 HD13 LEU 95 -1.891 1.360 1.360 718 2HD1 LEU 95 HD12 LEU 95 -0.792 1.661 1.661 719 3HD1 LEU 95 HD11 LEU 95 -0.264 1.965 1.965 720 1HD2 LEU 95 HD22 LEU 95 -3.242 4.293 4.293 721 2HD2 LEU 95 HD21 LEU 95 -1.777 4.055 4.055 722 3HD2 LEU 95 HD23 LEU 95 -2.791 2.673 2.673 723 H VAL 96 HN VAL 96 0.532 4.858 4.858 724 HA VAL 96 HA VAL 96 1.718 2.734 2.734 725 HB VAL 96 HB VAL 96 2.872 4.846 4.846 726 1HG1 VAL 96 HG13 VAL 96 4.280 2.835 2.835 727 2HG1 VAL 96 HG12 VAL 96 4.952 3.295 3.295 728 3HG1 VAL 96 HG11 VAL 96 4.694 4.519 4.519 729 1HG2 VAL 96 HG22 VAL 96 1.537 2.992 2.992 730 2HG2 VAL 96 HG21 VAL 96 3.214 3.021 3.021 731 3HG2 VAL 96 HG23 VAL 96 2.702 1.852 1.852 732 H GLU 97 HN GLU 97 2.073 6.272 6.272 733 HA GLU 97 HA GLU 97 3.930 6.399 6.399 734 1HB GLU 97 HB2 GLU 97 3.417 8.702 8.702 735 2HB GLU 97 HB1 GLU 97 3.157 8.278 8.278 736 1HG GLU 97 HG2 GLU 97 0.971 8.459 8.459 737 2HG GLU 97 HG1 GLU 97 1.422 9.765 9.765 738 H HIS 98 HN HIS 98 0.449 6.022 6.022 739 HA HIS 98 HA HIS 98 -0.108 6.661 6.661 740 1HB HIS 98 HB1 HIS 98 -1.528 5.609 5.609 741 2HB HIS 98 HB2 HIS 98 -1.577 4.316 4.316 742 HD2 HIS 98 HD2 HIS 98 -3.749 7.055 7.055 743 HE1 HIS 98 HE1 HIS 98 -4.049 6.935 6.935 744 HE2 HIS 98 HE2 HIS 98 -5.179 7.673 7.673 745 H GLY 99 HN GLY 99 1.388 3.816 3.816 746 1HA GLY 99 HA2 GLY 99 2.945 2.734 2.734 747 2HA GLY 99 HA1 GLY 99 1.545 2.651 2.651 748 H ALA 100 HN ALA 100 0.372 2.177 2.177 749 HA ALA 100 HA ALA 100 -0.506 -0.372 -0.372 750 1HB ALA 100 HB2 ALA 100 0.343 0.984 0.984 751 2HB ALA 100 HB1 ALA 100 -0.606 -0.499 -0.499 752 3HB ALA 100 HB3 ALA 100 -1.261 0.999 0.999 753 H ASP 101 HN ASP 101 0.153 -2.350 -2.350 754 HA ASP 101 HA ASP 101 2.705 -3.202 -3.202 755 1HB ASP 101 HB2 ASP 101 0.985 -4.504 -4.504 756 2HB ASP 101 HB1 ASP 101 2.213 -5.277 -5.277 757 H VAL 102 HN VAL 102 4.237 -1.769 -1.769 758 HA VAL 102 HA VAL 102 4.501 -1.550 -1.550 759 HB VAL 102 HB VAL 102 6.599 -0.443 -0.443 760 1HG1 VAL 102 HG12 VAL 102 5.168 0.346 0.346 761 2HG1 VAL 102 HG11 VAL 102 6.055 1.550 1.550 762 3HG1 VAL 102 HG13 VAL 102 6.897 0.142 0.142 763 1HG2 VAL 102 HG22 VAL 102 3.771 0.599 0.599 764 2HG2 VAL 102 HG21 VAL 102 4.682 0.039 0.039 765 3HG2 VAL 102 HG23 VAL 102 5.159 1.522 1.522 766 H ASN 103 HN ASN 103 5.114 -4.009 -4.009 767 HA ASN 103 HA ASN 103 7.648 -4.655 -4.655 768 1HB ASN 103 HB1 ASN 103 8.009 -6.099 -6.099 769 2HB ASN 103 HB2 ASN 103 8.520 -4.415 -4.415 770 1HD2 ASN 103 HD22 ASN 103 6.269 -3.258 -3.258 771 2HD2 ASN 103 HD21 ASN 103 7.422 -2.867 -2.867 772 H ALA 104 HN ALA 104 4.555 -5.308 -5.308 773 HA ALA 104 HA ALA 104 4.335 -8.091 -8.091 774 1HB ALA 104 HB2 ALA 104 2.645 -5.974 -5.974 775 2HB ALA 104 HB1 ALA 104 2.501 -7.302 -7.302 776 3HB ALA 104 HB3 ALA 104 2.197 -7.585 -7.585 777 H LEU 105 HN LEU 105 4.534 -9.830 -9.830 778 HA LEU 105 HA LEU 105 5.701 -9.281 -9.281 779 1HB LEU 105 HB2 LEU 105 6.327 -11.774 -11.774 780 2HB LEU 105 HB1 LEU 105 7.238 -11.009 -11.009 781 HG LEU 105 HG LEU 105 7.001 -10.013 -10.013 782 1HD1 LEU 105 HD12 LEU 105 8.601 -12.019 -12.019 783 2HD1 LEU 105 HD11 LEU 105 9.647 -10.598 -10.598 784 3HD1 LEU 105 HD13 LEU 105 8.878 -11.112 -11.112 785 1HD2 LEU 105 HD22 LEU 105 8.107 -8.806 -8.806 786 2HD2 LEU 105 HD21 LEU 105 7.280 -8.044 -8.044 787 3HD2 LEU 105 HD23 LEU 105 8.963 -8.544 -8.544 788 H ASP 106 HN ASP 106 5.191 -10.726 -10.726 789 HA ASP 106 HA ASP 106 2.574 -11.907 -11.907 790 1HB ASP 106 HB2 ASP 106 4.363 -11.823 -11.823 791 2HB ASP 106 HB1 ASP 106 3.253 -10.532 -10.532 792 H SER 107 HN SER 107 5.828 -12.994 -12.994 793 HA SER 107 HA SER 107 5.597 -15.481 -15.481 794 1HB SER 107 HB1 SER 107 5.720 -16.132 -16.132 795 2HB SER 107 HB2 SER 107 4.848 -16.937 -16.937 796 HG SER 107 HG SER 107 4.056 -14.730 -14.730 797 H THR 108 HN THR 108 7.086 -13.572 -13.572 798 HA THR 108 HA THR 108 9.560 -15.071 -15.071 799 HB THR 108 HB THR 108 9.427 -12.422 -12.422 800 HG1 THR 108 HG1 THR 108 7.832 -12.922 -12.922 801 1HG2 THR 108 HG21 THR 108 11.182 -14.494 -14.494 802 2HG2 THR 108 HG23 THR 108 10.161 -14.794 -14.794 803 3HG2 THR 108 HG22 THR 108 10.989 -13.246 -13.246 804 H GLY 109 HN GLY 109 8.220 -12.968 -12.968 805 1HA GLY 109 HA2 GLY 109 9.026 -11.549 -11.549 806 2HA GLY 109 HA1 GLY 109 10.494 -12.509 -12.509 807 H SER 110 HN SER 110 9.498 -10.916 -10.916 808 HA SER 110 HA SER 110 11.831 -9.562 -9.562 809 1HB SER 110 HB2 SER 110 9.363 -8.185 -8.185 810 2HB SER 110 HB1 SER 110 10.784 -8.675 -8.675 811 HG SER 110 HG SER 110 8.573 -9.852 -9.852 812 H LEU 111 HN LEU 111 8.894 -8.229 -8.229 813 HA LEU 111 HA LEU 111 8.790 -6.722 -6.722 814 1HB LEU 111 HB1 LEU 111 11.398 -7.164 -7.164 815 2HB LEU 111 HB2 LEU 111 11.472 -5.577 -5.577 816 HG LEU 111 HG LEU 111 9.986 -4.785 -4.785 817 1HD1 LEU 111 HD21 LEU 111 10.641 -7.563 -7.563 818 2HD1 LEU 111 HD23 LEU 111 10.520 -6.290 -6.290 819 3HD1 LEU 111 HD22 LEU 111 9.141 -6.652 -6.652 820 1HD2 LEU 111 HD13 LEU 111 12.556 -4.563 -4.563 821 2HD2 LEU 111 HD12 LEU 111 11.839 -4.177 -4.177 822 3HD2 LEU 111 HD11 LEU 111 12.642 -5.728 -5.728 823 HA PRO 112 HA PRO 112 6.975 -3.676 -3.676 824 1HB PRO 112 HB2 PRO 112 7.244 -2.081 -2.081 825 2HB PRO 112 HB1 PRO 112 5.857 -2.247 -2.247 826 1HG PRO 112 HG1 PRO 112 5.956 -3.587 -3.587 827 2HG PRO 112 HG2 PRO 112 5.285 -4.333 -4.333 828 1HD PRO 112 HD2 PRO 112 7.875 -4.836 -4.836 829 2HD PRO 112 HD1 PRO 112 6.876 -5.936 -5.936 830 H ILE 113 HN ILE 113 9.532 -2.612 -2.612 831 HA ILE 113 HA ILE 113 10.295 -0.343 -0.343 832 HB ILE 113 HB ILE 113 10.944 -0.560 -0.560 833 1HG1 ILE 113 HG12 ILE 113 12.889 -0.113 -0.113 834 2HG1 ILE 113 HG11 ILE 113 12.509 0.885 0.885 835 1HG2 ILE 113 HG22 ILE 113 11.242 -3.087 -3.087 836 2HG2 ILE 113 HG21 ILE 113 12.882 -2.731 -2.731 837 3HG2 ILE 113 HG23 ILE 113 12.350 -2.219 -2.219 838 1HD1 ILE 113 HD13 ILE 113 13.938 -0.564 -0.564 839 2HD1 ILE 113 HD12 ILE 113 14.367 -1.477 -1.477 840 3HD1 ILE 113 HD11 ILE 113 14.812 0.225 0.225 841 H HIS 114 HN HIS 114 11.187 -3.718 -3.718 842 HA HIS 114 HA HIS 114 13.477 -3.326 -3.326 843 1HB HIS 114 HB1 HIS 114 11.715 -5.699 -5.699 844 2HB HIS 114 HB2 HIS 114 13.046 -5.790 -5.790 845 HD2 HIS 114 HD2 HIS 114 15.053 -7.021 -7.021 846 HE1 HIS 114 HE1 HIS 114 14.670 -5.060 -5.060 847 HE2 HIS 114 HE2 HIS 114 15.908 -6.858 -6.858 848 H LEU 115 HN LEU 115 10.051 -3.709 -3.709 849 HA LEU 115 HA LEU 115 10.217 -4.183 -4.183 850 1HB LEU 115 HB2 LEU 115 7.934 -2.618 -2.618 851 2HB LEU 115 HB1 LEU 115 7.931 -3.946 -3.946 852 HG LEU 115 HG LEU 115 8.248 -4.140 -4.140 853 1HD1 LEU 115 HD12 LEU 115 5.991 -4.143 -4.143 854 2HD1 LEU 115 HD11 LEU 115 6.184 -5.763 -5.763 855 3HD1 LEU 115 HD13 LEU 115 6.046 -4.374 -4.374 856 1HD2 LEU 115 HD22 LEU 115 9.687 -5.743 -5.743 857 2HD2 LEU 115 HD21 LEU 115 8.486 -6.492 -6.492 858 3HD2 LEU 115 HD23 LEU 115 8.205 -6.410 -6.410 859 H ALA 116 HN ALA 116 9.635 -1.166 -1.166 860 HA ALA 116 HA ALA 116 9.527 0.581 0.581 861 1HB ALA 116 HB2 ALA 116 9.364 0.872 0.872 862 2HB ALA 116 HB1 ALA 116 10.946 1.591 1.591 863 3HB ALA 116 HB3 ALA 116 9.519 2.219 2.219 864 H ILE 117 HN ILE 117 12.306 -0.814 -0.814 865 HA ILE 117 HA ILE 117 14.312 0.789 0.789 866 HB ILE 117 HB ILE 117 14.382 -2.057 -2.057 867 1HG1 ILE 117 HG12 ILE 117 15.525 0.486 0.486 868 2HG1 ILE 117 HG11 ILE 117 13.979 -0.215 -0.215 869 1HG2 ILE 117 HG22 ILE 117 16.340 -0.642 -0.642 870 2HG2 ILE 117 HG21 ILE 117 16.984 -1.070 -1.070 871 3HG2 ILE 117 HG23 ILE 117 16.326 -2.322 -2.322 872 1HD1 ILE 117 HD13 ILE 117 15.428 -2.337 -2.337 873 2HD1 ILE 117 HD12 ILE 117 16.740 -1.163 -1.163 874 3HD1 ILE 117 HD11 ILE 117 15.351 -1.021 -1.021 875 H ARG 118 HN ARG 118 12.774 -2.201 -2.201 876 HA ARG 118 HA ARG 118 14.428 -2.538 -2.538 877 1HB ARG 118 HB2 ARG 118 11.655 -3.584 -3.584 878 2HB ARG 118 HB1 ARG 118 13.172 -4.391 -4.391 879 1HG ARG 118 HG1 ARG 118 13.467 -4.076 -4.076 880 2HG ARG 118 HG2 ARG 118 11.708 -4.180 -4.180 881 1HD ARG 118 HD2 ARG 118 13.738 -6.246 -6.246 882 2HD ARG 118 HD1 ARG 118 12.037 -6.395 -6.395 883 HE ARG 118 HE ARG 118 13.161 -6.760 -6.760 884 1HH1 ARG 118 HH21 ARG 118 10.349 -5.495 -5.495 885 2HH1 ARG 118 HH22 ARG 118 9.293 -5.762 -5.762 886 1HH2 ARG 118 HH11 ARG 118 11.779 -7.114 -7.114 887 2HH2 ARG 118 HH12 ARG 118 10.106 -6.683 -6.683 888 H GLU 119 HN GLU 119 12.003 -0.326 -0.326 889 HA GLU 119 HA GLU 119 11.176 0.071 0.071 890 1HB GLU 119 HB1 GLU 119 10.370 1.662 1.662 891 2HB GLU 119 HB2 GLU 119 9.567 1.630 1.630 892 1HG GLU 119 HG1 GLU 119 9.707 -1.030 -1.030 893 2HG GLU 119 HG2 GLU 119 9.095 0.002 0.002 894 H GLY 120 HN GLY 120 12.519 2.106 2.106 895 1HA GLY 120 HA2 GLY 120 14.614 3.312 3.312 896 2HA GLY 120 HA1 GLY 120 13.873 3.675 3.675 897 H HIS 121 HN HIS 121 11.307 3.962 3.962 898 HA HIS 121 HA HIS 121 11.200 6.746 6.746 899 1HB HIS 121 HB2 HIS 121 9.634 5.071 5.071 900 2HB HIS 121 HB1 HIS 121 9.147 6.564 6.564 901 HD2 HIS 121 HD2 HIS 121 8.977 2.782 2.782 902 HE1 HIS 121 HE1 HIS 121 7.575 4.610 4.610 903 HE2 HIS 121 HE2 HIS 121 7.636 2.467 2.467 904 H SER 122 HN SER 122 13.280 7.315 7.315 905 HA SER 122 HA SER 122 14.357 6.830 6.830 906 1HB SER 122 HB2 SER 122 15.024 9.298 9.298 907 2HB SER 122 HB1 SER 122 15.457 8.401 8.401 908 HG SER 122 HG SER 122 14.346 10.581 10.581 909 H SER 123 HN SER 123 11.640 9.043 9.043 910 HA SER 123 HA SER 123 11.352 10.001 10.001 911 1HB SER 123 HB1 SER 123 9.140 10.677 10.677 912 2HB SER 123 HB2 SER 123 10.156 10.828 10.828 913 HG SER 123 HG SER 123 8.131 9.787 9.787 914 H VAL 124 HN VAL 124 9.728 7.216 7.216 915 HA VAL 124 HA VAL 124 8.415 6.430 6.430 916 HB VAL 124 HB VAL 124 8.846 5.012 5.012 917 1HG1 VAL 124 HG11 VAL 124 8.747 3.360 3.360 918 2HG1 VAL 124 HG13 VAL 124 7.210 4.050 4.050 919 3HG1 VAL 124 HG12 VAL 124 7.336 3.276 3.276 920 1HG2 VAL 124 HG21 VAL 124 7.285 6.994 6.994 921 2HG2 VAL 124 HG23 VAL 124 6.577 5.503 5.503 922 3HG2 VAL 124 HG22 VAL 124 6.284 5.991 5.991 923 H VAL 125 HN VAL 125 11.032 4.847 4.847 924 HA VAL 125 HA VAL 125 11.631 2.847 2.847 925 HB VAL 125 HB VAL 125 13.852 4.229 4.229 926 1HG1 VAL 125 HG12 VAL 125 14.088 2.144 2.144 927 2HG1 VAL 125 HG11 VAL 125 13.281 1.291 1.291 928 3HG1 VAL 125 HG13 VAL 125 14.816 2.109 2.109 929 1HG2 VAL 125 HG23 VAL 125 11.511 2.800 2.800 930 2HG2 VAL 125 HG22 VAL 125 12.329 4.263 4.263 931 3HG2 VAL 125 HG21 VAL 125 13.096 2.691 2.691 932 H SER 126 HN SER 126 12.813 6.187 6.187 933 HA SER 126 HA SER 126 14.646 5.877 5.877 934 1HB SER 126 HB2 SER 126 14.792 8.275 8.275 935 2HB SER 126 HB1 SER 126 14.648 7.767 7.767 936 HG SER 126 HG SER 126 12.399 8.508 8.508 937 H PHE 127 HN PHE 127 11.261 6.713 6.713 938 HA PHE 127 HA PHE 127 11.015 7.412 7.412 939 1HB PHE 127 HB1 PHE 127 9.416 8.341 8.341 940 2HB PHE 127 HB2 PHE 127 8.976 6.748 6.748 941 HD1 PHE 127 HD1 PHE 127 8.950 8.797 8.797 942 HD2 PHE 127 HD2 PHE 127 7.153 5.629 5.629 943 HE1 PHE 127 HE1 PHE 127 7.134 8.668 8.668 944 HE2 PHE 127 HE2 PHE 127 5.332 5.497 5.497 945 HZ PHE 127 HZ PHE 127 5.321 7.017 7.017 946 H LEU 128 HN LEU 128 10.271 4.522 4.522 947 HA LEU 128 HA LEU 128 9.225 3.033 3.033 948 1HB LEU 128 HB1 LEU 128 9.588 2.679 2.679 949 2HB LEU 128 HB2 LEU 128 10.279 1.291 1.291 950 HG LEU 128 HG LEU 128 7.831 1.144 1.144 951 1HD1 LEU 128 HD12 LEU 128 8.904 -0.434 -0.434 952 2HD1 LEU 128 HD11 LEU 128 8.527 0.628 0.628 953 3HD1 LEU 128 HD13 LEU 128 7.224 -0.136 -0.136 954 1HD2 LEU 128 HD22 LEU 128 7.589 3.526 3.526 955 2HD2 LEU 128 HD21 LEU 128 6.250 2.431 2.431 956 3HD2 LEU 128 HD23 LEU 128 7.024 2.407 2.407 957 H ALA 129 HN ALA 129 12.362 3.957 3.957 958 HA ALA 129 HA ALA 129 13.936 1.763 1.763 959 1HB ALA 129 HB3 ALA 129 14.304 4.693 4.693 960 2HB ALA 129 HB2 ALA 129 15.457 3.696 3.696 961 3HB ALA 129 HB1 ALA 129 15.249 3.473 3.473 962 HA PRO 130 HA PRO 130 13.973 2.768 2.768 963 1HB PRO 130 HB2 PRO 130 12.751 4.986 4.986 964 2HB PRO 130 HB1 PRO 130 14.391 5.020 5.020 965 1HG PRO 130 HG1 PRO 130 11.802 5.768 5.768 966 2HG PRO 130 HG2 PRO 130 13.361 6.610 6.610 967 1HD PRO 130 HD2 PRO 130 12.483 4.995 4.995 968 2HD PRO 130 HD1 PRO 130 14.202 5.225 5.225 969 H GLU 131 HN GLU 131 10.900 4.153 4.153 970 HA GLU 131 HA GLU 131 9.142 3.419 3.419 971 1HB GLU 131 HB1 GLU 131 8.707 3.052 3.052 972 2HB GLU 131 HB2 GLU 131 7.438 3.156 3.156 973 1HG GLU 131 HG2 GLU 131 9.343 5.394 5.394 974 2HG GLU 131 HG1 GLU 131 8.321 5.240 5.240 975 H SER 132 HN SER 132 10.429 1.251 1.251 976 HA SER 132 HA SER 132 9.039 -1.016 -1.016 977 1HB SER 132 HB1 SER 132 9.256 -0.654 -0.654 978 2HB SER 132 HB2 SER 132 10.956 -1.091 -1.091 979 HG SER 132 HG SER 132 9.818 -2.937 -2.937 980 H ASP 133 HN ASP 133 9.961 -2.551 -2.551 981 HA ASP 133 HA ASP 133 12.148 -2.195 -2.195 982 1HB ASP 133 HB1 ASP 133 12.277 -4.663 -4.663 983 2HB ASP 133 HB2 ASP 133 11.196 -4.838 -4.838 984 H LEU 134 HN LEU 134 14.024 -1.412 -1.412 985 HA LEU 134 HA LEU 134 15.210 -2.158 -2.158 986 1HB LEU 134 HB1 LEU 134 16.467 -0.985 -0.985 987 2HB LEU 134 HB2 LEU 134 17.216 -1.047 -1.047 988 HG LEU 134 HG LEU 134 15.113 0.299 0.299 989 1HD1 LEU 134 HD23 LEU 134 14.791 0.186 0.186 990 2HD1 LEU 134 HD22 LEU 134 14.856 1.843 1.843 991 3HD1 LEU 134 HD21 LEU 134 13.662 0.719 0.719 992 1HD2 LEU 134 HD13 LEU 134 17.495 1.315 1.315 993 2HD2 LEU 134 HD12 LEU 134 17.182 1.332 1.332 994 3HD2 LEU 134 HD11 LEU 134 16.300 2.425 2.425 995 H HIS 135 HN HIS 135 15.560 -3.387 -3.387 996 HA HIS 135 HA HIS 135 17.829 -4.997 -4.997 997 1HB HIS 135 HB1 HIS 135 17.012 -4.416 -4.416 998 2HB HIS 135 HB2 HIS 135 15.566 -5.384 -5.384 999 HD2 HIS 135 HD2 HIS 135 16.250 -7.062 -7.062 1000 HE1 HIS 135 HE1 HIS 135 19.629 -8.697 -8.697 1001 HE2 HIS 135 HE2 HIS 135 18.163 -8.811 -8.811 1002 H HIS 136 HN HIS 136 14.410 -5.538 -5.538 1003 HA HIS 136 HA HIS 136 14.296 -8.274 -8.274 1004 1HB HIS 136 HB1 HIS 136 12.420 -6.536 -6.536 1005 2HB HIS 136 HB2 HIS 136 12.907 -6.430 -6.430 1006 HD2 HIS 136 HD2 HIS 136 12.400 -8.716 -8.716 1007 HE1 HIS 136 HE1 HIS 136 9.923 -10.510 -10.510 1008 HE2 HIS 136 HE2 HIS 136 10.837 -10.707 -10.707 1009 H ARG 137 HN ARG 137 14.363 -9.669 -9.669 1010 HA ARG 137 HA ARG 137 16.336 -8.779 -8.779 1011 1HB ARG 137 HB1 ARG 137 15.982 -11.347 -11.347 1012 2HB ARG 137 HB2 ARG 137 16.573 -11.425 -11.425 1013 1HG ARG 137 HG2 ARG 137 18.310 -9.693 -9.693 1014 2HG ARG 137 HG1 ARG 137 17.846 -10.145 -10.145 1015 1HD ARG 137 HD2 ARG 137 18.330 -12.446 -12.446 1016 2HD ARG 137 HD1 ARG 137 19.741 -11.401 -11.401 1017 HE ARG 137 HE ARG 137 18.968 -11.672 -11.672 1018 1HH1 ARG 137 HH11 ARG 137 19.452 -14.003 -14.003 1019 2HH1 ARG 137 HH12 ARG 137 19.916 -15.277 -15.277 1020 1HH2 ARG 137 HH21 ARG 137 19.576 -13.342 -13.342 1021 2HH2 ARG 137 HH22 ARG 137 19.984 -14.900 -14.900 1022 H ASP 138 HN ASP 138 16.077 -9.429 -9.429 1023 HA ASP 138 HA ASP 138 13.412 -9.460 -9.460 1024 1HB ASP 138 HB2 ASP 138 15.385 -8.549 -8.549 1025 2HB ASP 138 HB1 ASP 138 15.909 -10.207 -10.207 1026 H ALA 139 HN ALA 139 15.291 -11.913 -11.913 1027 HA ALA 139 HA ALA 139 14.732 -14.122 -14.122 1028 1HB ALA 139 HB2 ALA 139 12.359 -13.228 -13.228 1029 2HB ALA 139 HB1 ALA 139 12.744 -14.196 -14.196 1030 3HB ALA 139 HB3 ALA 139 12.699 -14.950 -14.950 1031 H SER 140 HN SER 140 15.847 -12.641 -12.641 1032 HA SER 140 HA SER 140 16.675 -15.199 -15.199 1033 1HB SER 140 HB2 SER 140 15.242 -13.214 -13.214 1034 2HB SER 140 HB1 SER 140 16.895 -12.801 -12.801 1035 HG SER 140 HG SER 140 16.882 -14.427 -14.427 1036 H GLY 141 HN GLY 141 17.672 -12.388 -12.388 1037 1HA GLY 141 HA2 GLY 141 19.930 -12.322 -12.322 1038 2HA GLY 141 HA1 GLY 141 20.479 -13.004 -13.004 1039 H LEU 142 HN LEU 142 18.335 -10.259 -10.259 1040 HA LEU 142 HA LEU 142 20.309 -8.386 -8.386 1041 1HB LEU 142 HB1 LEU 142 17.658 -8.810 -8.810 1042 2HB LEU 142 HB2 LEU 142 18.691 -7.420 -7.420 1043 HG LEU 142 HG LEU 142 19.433 -10.286 -10.286 1044 1HD1 LEU 142 HD11 LEU 142 17.720 -9.434 -9.434 1045 2HD1 LEU 142 HD13 LEU 142 18.715 -8.016 -8.016 1046 3HD1 LEU 142 HD12 LEU 142 19.267 -9.618 -9.618 1047 1HD2 LEU 142 HD22 LEU 142 21.329 -8.820 -8.820 1048 2HD2 LEU 142 HD21 LEU 142 21.419 -9.400 -9.400 1049 3HD2 LEU 142 HD23 LEU 142 20.902 -7.747 -7.747 1050 H THR 143 HN THR 143 20.256 -7.373 -7.373 1051 HA THR 143 HA THR 143 17.854 -6.621 -6.621 1052 HB THR 143 HB THR 143 19.952 -4.917 -4.917 1053 HG1 THR 143 HG1 THR 143 20.907 -7.558 -7.558 1054 1HG2 THR 143 HG22 THR 143 18.417 -7.143 -7.143 1055 2HG2 THR 143 HG21 THR 143 20.045 -7.005 -7.005 1056 3HG2 THR 143 HG23 THR 143 18.935 -5.638 -5.638 1057 HA PRO 144 HA PRO 144 16.628 -2.614 -2.614 1058 1HB PRO 144 HB2 PRO 144 18.183 -1.261 -1.261 1059 2HB PRO 144 HB1 PRO 144 16.495 -1.045 -1.045 1060 1HG PRO 144 HG2 PRO 144 17.117 -2.438 -2.438 1061 2HG PRO 144 HG1 PRO 144 15.800 -2.961 -2.961 1062 1HD PRO 144 HD2 PRO 144 18.548 -4.074 -4.074 1063 2HD PRO 144 HD1 PRO 144 17.026 -4.908 -4.908 1064 H LEU 145 HN LEU 145 19.984 -2.324 -2.324 1065 HA LEU 145 HA LEU 145 20.683 -0.391 -0.391 1066 1HB LEU 145 HB2 LEU 145 21.972 -1.729 -1.729 1067 2HB LEU 145 HB1 LEU 145 23.060 -1.458 -1.458 1068 HG LEU 145 HG LEU 145 21.612 0.561 0.561 1069 1HD1 LEU 145 HD13 LEU 145 23.909 -0.274 -0.274 1070 2HD1 LEU 145 HD12 LEU 145 24.475 0.464 0.464 1071 3HD1 LEU 145 HD11 LEU 145 23.778 1.469 1.469 1072 1HD2 LEU 145 HD22 LEU 145 22.655 0.903 0.903 1073 2HD2 LEU 145 HD21 LEU 145 21.091 1.378 1.378 1074 3HD2 LEU 145 HD23 LEU 145 22.548 2.252 2.252 1075 H GLU 146 HN GLU 146 20.979 -3.876 -3.876 1076 HA GLU 146 HA GLU 146 22.799 -4.420 -4.420 1077 1HB GLU 146 HB2 GLU 146 20.464 -5.898 -5.898 1078 2HB GLU 146 HB1 GLU 146 21.224 -6.523 -6.523 1079 1HG GLU 146 HG2 GLU 146 22.826 -5.870 -5.870 1080 2HG GLU 146 HG1 GLU 146 22.014 -7.423 -7.423 1081 H LEU 147 HN LEU 147 19.245 -4.469 -4.469 1082 HA LEU 147 HA LEU 147 19.188 -4.660 -4.660 1083 1HB LEU 147 HB2 LEU 147 17.315 -4.395 -4.395 1084 2HB LEU 147 HB1 LEU 147 17.063 -2.970 -2.970 1085 HG LEU 147 HG LEU 147 16.606 -4.303 -4.303 1086 1HD1 LEU 147 HD23 LEU 147 17.561 -6.579 -6.579 1087 2HD1 LEU 147 HD22 LEU 147 16.542 -6.840 -6.840 1088 3HD1 LEU 147 HD21 LEU 147 18.124 -6.081 -6.081 1089 1HD2 LEU 147 HD11 LEU 147 15.050 -4.340 -4.340 1090 2HD2 LEU 147 HD13 LEU 147 14.515 -4.620 -4.620 1091 3HD2 LEU 147 HD12 LEU 147 14.992 -5.981 -5.981 1092 H ALA 148 HN ALA 148 19.119 -1.754 -1.754 1093 HA ALA 148 HA ALA 148 18.947 0.148 0.148 1094 1HB ALA 148 HB2 ALA 148 18.795 0.450 0.450 1095 2HB ALA 148 HB1 ALA 148 20.549 0.628 0.628 1096 3HB ALA 148 HB3 ALA 148 19.516 1.746 1.746 1097 H ARG 149 HN ARG 149 21.711 -1.568 -1.568 1098 HA ARG 149 HA ARG 149 23.699 -0.055 -0.055 1099 1HB ARG 149 HB2 ARG 149 24.020 -1.554 -1.554 1100 2HB ARG 149 HB1 ARG 149 23.987 -2.911 -2.911 1101 1HG ARG 149 HG2 ARG 149 26.031 -2.433 -2.433 1102 2HG ARG 149 HG1 ARG 149 25.859 -0.696 -0.696 1103 1HD ARG 149 HD2 ARG 149 26.864 -0.800 -0.800 1104 2HD ARG 149 HD1 ARG 149 25.894 -2.184 -2.184 1105 HE ARG 149 HE ARG 149 28.559 -2.232 -2.232 1106 1HH1 ARG 149 HH21 ARG 149 25.602 -4.042 -4.042 1107 2HH1 ARG 149 HH22 ARG 149 26.378 -5.583 -5.583 1108 1HH2 ARG 149 HH11 ARG 149 29.593 -4.259 -4.259 1109 2HH2 ARG 149 HH12 ARG 149 28.647 -5.708 -5.708 1110 H GLN 150 HN GLN 150 22.023 -3.102 -3.102 1111 HA GLN 150 HA GLN 150 23.394 -3.639 -3.639 1112 1HB GLN 150 HB2 GLN 150 22.443 -5.509 -5.509 1113 2HB GLN 150 HB1 GLN 150 20.875 -4.725 -4.725 1114 1HG GLN 150 HG2 GLN 150 20.755 -4.811 -4.811 1115 2HG GLN 150 HG1 GLN 150 22.159 -5.873 -5.873 1116 1HE2 GLN 150 HE22 GLN 150 20.387 -8.582 -8.582 1117 2HE2 GLN 150 HE21 GLN 150 21.911 -7.769 -7.769 1118 H ARG 151 HN ARG 151 19.888 -3.425 -3.425 1119 HA ARG 151 HA ARG 151 19.780 -2.086 -2.086 1120 1HB ARG 151 HB2 ARG 151 17.486 -2.489 -2.489 1121 2HB ARG 151 HB1 ARG 151 17.410 -2.285 -2.285 1122 1HG ARG 151 HG2 ARG 151 18.147 -4.446 -4.446 1123 2HG ARG 151 HG1 ARG 151 18.845 -4.620 -4.620 1124 1HD ARG 151 HD1 ARG 151 16.691 -4.792 -4.792 1125 2HD ARG 151 HD2 ARG 151 15.890 -4.334 -4.334 1126 HE ARG 151 HE ARG 151 16.969 -6.938 -6.938 1127 1HH1 ARG 151 HH11 ARG 151 15.726 -4.835 -4.835 1128 2HH1 ARG 151 HH12 ARG 151 15.325 -6.130 -6.130 1129 1HH2 ARG 151 HH21 ARG 151 16.444 -8.651 -8.651 1130 2HH2 ARG 151 HH22 ARG 151 15.733 -8.300 -8.300 1131 H GLY 152 HN GLY 152 21.257 -0.408 -0.408 1132 1HA GLY 152 HA1 GLY 152 20.104 1.481 1.481 1133 2HA GLY 152 HA2 GLY 152 21.423 1.814 1.814 1134 H ALA 153 HN ALA 153 19.547 0.936 0.936 1135 HA ALA 153 HA ALA 153 18.536 2.239 2.239 1136 1HB ALA 153 HB2 ALA 153 16.757 1.133 1.133 1137 2HB ALA 153 HB1 ALA 153 16.525 2.725 2.725 1138 3HB ALA 153 HB3 ALA 153 16.238 2.491 2.491 1139 H GLN 154 HN GLN 154 20.425 3.709 3.709 1140 HA GLN 154 HA GLN 154 20.918 6.048 6.048 1141 1HB GLN 154 HB1 GLN 154 19.383 7.791 7.791 1142 2HB GLN 154 HB2 GLN 154 18.530 6.672 6.672 1143 1HG GLN 154 HG2 GLN 154 16.970 6.881 6.881 1144 2HG GLN 154 HG1 GLN 154 17.899 5.556 5.556 1145 1HE2 GLN 154 HE22 GLN 154 18.193 7.303 7.303 1146 2HE2 GLN 154 HE21 GLN 154 17.764 5.862 5.862 1147 H ASN 155 HN ASN 155 20.373 7.817 7.817 1148 HA ASN 155 HA ASN 155 22.301 6.688 6.688 1149 1HB ASN 155 HB2 ASN 155 21.410 9.258 9.258 1150 2HB ASN 155 HB1 ASN 155 20.875 8.990 8.990 1151 1HD2 ASN 155 HD22 ASN 155 23.992 10.057 10.057 1152 2HD2 ASN 155 HD21 ASN 155 22.280 10.287 10.287 1153 H LEU 156 HN LEU 156 20.189 4.900 4.900 1154 HA LEU 156 HA LEU 156 18.291 5.346 5.346 1155 1HB LEU 156 HB2 LEU 156 19.184 2.970 2.970 1156 2HB LEU 156 HB1 LEU 156 18.240 2.712 2.712 1157 HG LEU 156 HG LEU 156 17.396 4.169 4.169 1158 1HD1 LEU 156 HD12 LEU 156 16.345 1.731 1.731 1159 2HD1 LEU 156 HD11 LEU 156 15.608 2.483 2.483 1160 3HD1 LEU 156 HD13 LEU 156 17.213 1.762 1.762 1161 1HD2 LEU 156 HD22 LEU 156 16.569 4.624 4.624 1162 2HD2 LEU 156 HD21 LEU 156 16.056 5.439 5.439 1163 3HD2 LEU 156 HD23 LEU 156 15.233 3.972 3.972 1164 H MET 157 HN MET 157 21.261 3.411 3.411 1165 HA MET 157 HA MET 157 21.283 2.380 2.380 1166 1HB MET 157 HB1 MET 157 23.423 1.742 1.742 1167 2HB MET 157 HB2 MET 157 22.895 2.151 2.151 1168 1HG MET 157 HG2 MET 157 23.961 4.291 4.291 1169 2HG MET 157 HG1 MET 157 24.394 4.023 4.023 1170 1HE MET 157 HE2 MET 157 25.236 1.560 1.560 1171 2HE MET 157 HE1 MET 157 26.576 0.818 0.818 1172 3HE MET 157 HE3 MET 157 26.850 2.263 2.263 1173 H ASP 158 HN ASP 158 21.859 5.603 5.603 1174 HA ASP 158 HA ASP 158 23.172 6.526 6.526 1175 1HB ASP 158 HB2 ASP 158 23.111 7.546 7.546 1176 2HB ASP 158 HB1 ASP 158 21.692 8.383 8.383 1177 H ILE 159 HN ILE 159 19.928 7.155 7.155 1178 HA ILE 159 HA ILE 159 18.880 8.507 8.507 1179 HB ILE 159 HB ILE 159 16.779 6.855 6.855 1180 1HG1 ILE 159 HG12 ILE 159 18.302 7.980 7.980 1181 2HG1 ILE 159 HG11 ILE 159 18.437 6.295 6.295 1182 1HG2 ILE 159 HG22 ILE 159 17.586 9.688 9.688 1183 2HG2 ILE 159 HG21 ILE 159 16.045 8.988 8.988 1184 3HG2 ILE 159 HG23 ILE 159 16.447 9.117 9.117 1185 1HD1 ILE 159 HD13 ILE 159 15.900 7.666 7.666 1186 2HD1 ILE 159 HD12 ILE 159 16.866 6.573 6.573 1187 3HD1 ILE 159 HD11 ILE 159 16.066 5.973 5.973 1188 H LEU 160 HN LEU 160 19.198 5.047 5.047 1189 HA LEU 160 HA LEU 160 17.753 4.288 4.288 1190 1HB LEU 160 HB2 LEU 160 19.627 2.776 2.776 1191 2HB LEU 160 HB1 LEU 160 18.770 2.046 2.046 1192 HG LEU 160 HG LEU 160 17.857 2.027 2.027 1193 1HD1 LEU 160 HD13 LEU 160 16.808 1.551 1.551 1194 2HD1 LEU 160 HD12 LEU 160 15.542 2.251 2.251 1195 3HD1 LEU 160 HD11 LEU 160 16.372 0.784 0.784 1196 1HD2 LEU 160 HD23 LEU 160 16.602 4.465 4.465 1197 2HD2 LEU 160 HD22 LEU 160 17.658 4.433 4.433 1198 3HD2 LEU 160 HD21 LEU 160 16.069 3.670 3.670 1199 H GLN 161 HN GLN 161 20.987 5.243 5.243 1200 HA GLN 161 HA GLN 161 22.231 4.027 4.027 1201 1HB GLN 161 HB1 GLN 161 23.025 5.611 5.611 1202 2HB GLN 161 HB2 GLN 161 23.717 6.295 6.295 1203 1HG GLN 161 HG1 GLN 161 23.924 3.363 3.363 1204 2HG GLN 161 HG2 GLN 161 24.953 4.430 4.430 1205 1HE2 GLN 161 HE22 GLN 161 25.406 4.742 4.742 1206 2HE2 GLN 161 HE21 GLN 161 23.832 4.716 4.716 1207 H GLY 162 HN GLY 162 21.083 7.316 7.316 1208 1HA GLY 162 HA1 GLY 162 21.815 8.405 8.405 1209 2HA GLY 162 HA2 GLY 162 20.668 9.106 9.106 1210 H HIS 163 HN HIS 163 18.684 7.262 7.262 1211 HA HIS 163 HA HIS 163 17.325 7.715 7.715 1212 1HB HIS 163 HB1 HIS 163 16.496 5.922 5.922 1213 2HB HIS 163 HB2 HIS 163 15.448 6.575 6.575 1214 HD2 HIS 163 HD2 HIS 163 15.875 7.223 7.223 1215 HE1 HIS 163 HE1 HIS 163 15.573 11.100 11.100 1216 HE2 HIS 163 HE2 HIS 163 15.637 9.760 9.760 1217 H MET 164 HN MET 164 19.545 5.398 5.398 1218 HA MET 164 HA MET 164 18.424 3.147 3.147 1219 1HB MET 164 HB2 MET 164 20.776 3.696 3.696 1220 2HB MET 164 HB1 MET 164 21.149 2.678 2.678 1221 1HG MET 164 HG1 MET 164 18.788 2.012 2.012 1222 2HG MET 164 HG2 MET 164 20.403 1.639 1.639 1223 1HE MET 164 HE2 MET 164 20.171 -0.468 -0.468 1224 2HE MET 164 HE1 MET 164 21.091 -1.414 -1.414 1225 3HE MET 164 HE3 MET 164 19.355 -1.674 -1.674 1226 H MET 165 HN MET 165 19.175 2.234 2.234 1227 HA MET 165 HA MET 165 20.740 4.042 4.042 1228 1HB MET 165 HB1 MET 165 19.286 3.291 3.291 1229 2HB MET 165 HB2 MET 165 18.474 4.298 4.298 1230 1HG MET 165 HG2 MET 165 17.757 2.041 2.041 1231 2HG MET 165 HG1 MET 165 18.163 1.379 1.379 1232 1HE MET 165 HE1 MET 165 15.926 3.615 3.615 1233 2HE MET 165 HE3 MET 165 14.758 4.297 4.297 1234 3HE MET 165 HE2 MET 165 16.417 4.894 4.894 1235 H ILE 166 HN ILE 166 22.136 3.079 3.079 1236 HA ILE 166 HA ILE 166 22.296 0.148 0.148 1237 HB ILE 166 HB ILE 166 24.933 1.380 1.380 1238 1HG1 ILE 166 HG11 ILE 166 23.308 1.618 1.618 1239 2HG1 ILE 166 HG12 ILE 166 23.875 2.964 2.964 1240 1HG2 ILE 166 HG22 ILE 166 24.391 -1.040 -1.040 1241 2HG2 ILE 166 HG21 ILE 166 23.779 -0.705 -0.705 1242 3HG2 ILE 166 HG23 ILE 166 25.480 -0.429 -0.429 1243 1HD1 ILE 166 HD13 ILE 166 26.058 1.239 1.239 1244 2HD1 ILE 166 HD12 ILE 166 25.173 1.792 1.792 1245 3HD1 ILE 166 HD11 ILE 166 25.838 2.965 2.965 1246 HA PRO 167 HA PRO 167 22.448 2.076 2.076 1247 1HB PRO 167 HB2 PRO 167 20.910 -0.419 -0.419 1248 2HB PRO 167 HB1 PRO 167 20.610 1.219 1.219 1249 1HG PRO 167 HG1 PRO 167 19.108 0.162 0.162 1250 2HG PRO 167 HG2 PRO 167 19.570 1.874 1.874 1251 1HD PRO 167 HD2 PRO 167 20.671 -0.418 -0.418 1252 2HD PRO 167 HD1 PRO 167 20.378 1.259 1.259 1253 H MET 168 HN MET 168 22.907 0.652 0.652 1254 HA MET 168 HA MET 168 24.474 -1.708 -1.708 1255 1HB MET 168 HB1 MET 168 26.303 0.063 0.063 1256 2HB MET 168 HB2 MET 168 26.524 -0.848 -0.848 1257 1HG MET 168 HG1 MET 168 25.523 0.964 0.964 1258 2HG MET 168 HG2 MET 168 25.260 1.875 1.875 1259 1HE MET 168 HE1 MET 168 26.684 3.471 3.471 1260 2HE MET 168 HE3 MET 168 27.719 2.289 2.289 1261 3HE MET 168 HE2 MET 168 28.438 3.591 3.591 Start of MODEL 18 1 1H GLY 1 HT3 GLY 1 -31.073 -2.953 -2.953 2 2H GLY 1 HT2 GLY 1 -32.585 -2.197 -2.197 3 3H GLY 1 HT1 GLY 1 -31.299 -1.549 -1.549 4 1HA GLY 1 HA1 GLY 1 -31.384 -3.158 -3.158 5 2HA GLY 1 HA2 GLY 1 -33.080 -2.898 -2.898 6 H SER 2 HN SER 2 -30.326 -4.869 -4.869 7 HA SER 2 HA SER 2 -32.198 -7.051 -7.051 8 1HB SER 2 HB2 SER 2 -29.395 -6.438 -6.438 9 2HB SER 2 HB1 SER 2 -30.062 -8.062 -8.062 10 HG SER 2 HG SER 2 -31.698 -6.029 -6.029 11 H MET 3 HN MET 3 -32.434 -8.617 -8.617 12 HA MET 3 HA MET 3 -30.591 -8.873 -8.873 13 1HB MET 3 HB2 MET 3 -33.093 -9.051 -9.051 14 2HB MET 3 HB1 MET 3 -32.999 -10.587 -10.587 15 1HG MET 3 HG2 MET 3 -31.221 -11.099 -11.099 16 2HG MET 3 HG1 MET 3 -32.163 -9.883 -9.883 17 1HE MET 3 HE1 MET 3 -34.730 -10.023 -10.023 18 2HE MET 3 HE3 MET 3 -35.158 -11.520 -11.520 19 3HE MET 3 HE2 MET 3 -35.722 -11.231 -11.231 20 H LEU 4 HN LEU 4 -28.984 -9.424 -9.424 21 HA LEU 4 HA LEU 4 -28.503 -12.274 -12.274 22 1HB LEU 4 HB1 LEU 4 -29.235 -10.922 -10.922 23 2HB LEU 4 HB2 LEU 4 -27.980 -12.145 -12.145 24 HG LEU 4 HG LEU 4 -29.964 -13.403 -13.403 25 1HD1 LEU 4 HD11 LEU 4 -31.165 -11.404 -11.404 26 2HD1 LEU 4 HD13 LEU 4 -31.894 -13.008 -13.008 27 3HD1 LEU 4 HD12 LEU 4 -31.758 -12.029 -12.029 28 1HD2 LEU 4 HD22 LEU 4 -28.595 -14.358 -14.358 29 2HD2 LEU 4 HD21 LEU 4 -30.307 -14.706 -14.706 30 3HD2 LEU 4 HD23 LEU 4 -29.521 -13.450 -13.450 31 H LEU 5 HN LEU 5 -26.344 -12.844 -12.844 32 HA LEU 5 HA LEU 5 -24.101 -12.500 -12.500 33 1HB LEU 5 HB2 LEU 5 -24.829 -11.799 -11.799 34 2HB LEU 5 HB1 LEU 5 -24.096 -10.300 -10.300 35 HG LEU 5 HG LEU 5 -22.315 -11.388 -11.388 36 1HD1 LEU 5 HD11 LEU 5 -21.723 -10.712 -10.712 37 2HD1 LEU 5 HD13 LEU 5 -22.194 -12.302 -12.302 38 3HD1 LEU 5 HD12 LEU 5 -20.824 -12.144 -12.144 39 1HD2 LEU 5 HD22 LEU 5 -23.404 -13.933 -13.933 40 2HD2 LEU 5 HD21 LEU 5 -23.328 -13.477 -13.477 41 3HD2 LEU 5 HD23 LEU 5 -21.843 -13.820 -13.820 42 H GLU 6 HN GLU 6 -25.153 -11.342 -11.342 43 HA GLU 6 HA GLU 6 -24.114 -8.590 -8.590 44 1HB GLU 6 HB1 GLU 6 -26.278 -9.997 -9.997 45 2HB GLU 6 HB2 GLU 6 -25.521 -8.540 -8.540 46 1HG GLU 6 HG2 GLU 6 -26.155 -7.821 -7.821 47 2HG GLU 6 HG1 GLU 6 -27.502 -8.861 -8.861 48 H GLU 7 HN GLU 7 -24.793 -10.653 -10.653 49 HA GLU 7 HA GLU 7 -23.515 -11.203 -11.203 50 1HB GLU 7 HB2 GLU 7 -21.938 -12.025 -12.025 51 2HB GLU 7 HB1 GLU 7 -21.143 -12.095 -12.095 52 1HG GLU 7 HG1 GLU 7 -23.798 -13.275 -13.275 53 2HG GLU 7 HG2 GLU 7 -22.710 -14.053 -14.053 54 H VAL 8 HN VAL 8 -23.385 -8.418 -8.418 55 HA VAL 8 HA VAL 8 -21.056 -7.641 -7.641 56 HB VAL 8 HB VAL 8 -20.203 -6.067 -6.067 57 1HG1 VAL 8 HG22 VAL 8 -19.338 -8.408 -8.408 58 2HG1 VAL 8 HG21 VAL 8 -20.396 -8.810 -8.810 59 3HG1 VAL 8 HG23 VAL 8 -19.107 -7.626 -7.626 60 1HG2 VAL 8 HG11 VAL 8 -22.524 -7.061 -7.061 61 2HG2 VAL 8 HG13 VAL 8 -21.918 -5.417 -5.417 62 3HG2 VAL 8 HG12 VAL 8 -21.063 -6.546 -6.546 63 H CYS 9 HN CYS 9 -23.881 -6.643 -6.643 64 HA CYS 9 HA CYS 9 -25.539 -5.149 -5.149 65 1HB CYS 9 HB2 CYS 9 -25.289 -5.994 -5.994 66 2HB CYS 9 HB1 CYS 9 -24.145 -4.688 -4.688 67 HG CYS 9 HG CYS 9 -27.159 -4.431 -4.431 68 H VAL 10 HN VAL 10 -22.519 -3.887 -3.887 69 HA VAL 10 HA VAL 10 -22.875 -1.469 -1.469 70 HB VAL 10 HB VAL 10 -23.170 -1.156 -1.156 71 1HG1 VAL 10 HG12 VAL 10 -20.698 -2.526 -2.526 72 2HG1 VAL 10 HG11 VAL 10 -20.402 -0.887 -0.887 73 3HG1 VAL 10 HG13 VAL 10 -21.618 -1.892 -1.892 74 1HG2 VAL 10 HG21 VAL 10 -22.425 0.570 0.570 75 2HG2 VAL 10 HG23 VAL 10 -22.307 0.983 0.983 76 3HG2 VAL 10 HG22 VAL 10 -20.868 0.479 0.479 77 H GLY 11 HN GLY 11 -21.257 -4.130 -4.130 78 1HA GLY 11 HA2 GLY 11 -18.523 -3.518 -3.518 79 2HA GLY 11 HA1 GLY 11 -19.225 -4.780 -4.780 80 H ASP 12 HN ASP 12 -20.588 -3.604 -3.604 81 HA ASP 12 HA ASP 12 -18.622 -2.550 -2.550 82 1HB ASP 12 HB1 ASP 12 -21.354 -3.397 -3.397 83 2HB ASP 12 HB2 ASP 12 -21.173 -1.847 -1.847 84 H ARG 13 HN ARG 13 -20.380 -1.072 -1.072 85 HA ARG 13 HA ARG 13 -20.477 1.555 1.555 86 1HB ARG 13 HB1 ARG 13 -21.987 0.351 0.351 87 2HB ARG 13 HB2 ARG 13 -20.917 1.360 1.360 88 1HG ARG 13 HG2 ARG 13 -22.383 2.503 2.503 89 2HG ARG 13 HG1 ARG 13 -23.180 2.312 2.312 90 1HD ARG 13 HD1 ARG 13 -21.701 3.787 3.787 91 2HD ARG 13 HD2 ARG 13 -20.532 3.698 3.698 92 HE ARG 13 HE ARG 13 -22.674 5.520 5.520 93 1HH1 ARG 13 HH21 ARG 13 -21.016 3.540 3.540 94 2HH1 ARG 13 HH22 ARG 13 -21.391 4.577 4.577 95 1HH2 ARG 13 HH11 ARG 13 -23.174 6.892 6.892 96 2HH2 ARG 13 HH12 ARG 13 -22.618 6.482 6.482 97 H LEU 14 HN LEU 14 -19.076 0.357 0.357 98 HA LEU 14 HA LEU 14 -17.256 2.540 2.540 99 1HB LEU 14 HB1 LEU 14 -18.209 1.120 1.120 100 2HB LEU 14 HB2 LEU 14 -17.020 -0.087 -0.087 101 HG LEU 14 HG LEU 14 -16.337 1.348 1.348 102 1HD1 LEU 14 HD12 LEU 14 -14.802 0.285 0.285 103 2HD1 LEU 14 HD11 LEU 14 -14.424 1.981 1.981 104 3HD1 LEU 14 HD13 LEU 14 -14.139 1.284 1.284 105 1HD2 LEU 14 HD23 LEU 14 -17.401 3.408 3.408 106 2HD2 LEU 14 HD22 LEU 14 -16.118 3.600 3.600 107 3HD2 LEU 14 HD21 LEU 14 -15.727 3.586 3.586 108 H SER 15 HN SER 15 -16.553 -0.946 -0.946 109 HA SER 15 HA SER 15 -13.876 -0.663 -0.663 110 1HB SER 15 HB1 SER 15 -14.335 -2.838 -2.838 111 2HB SER 15 HB2 SER 15 -15.901 -2.833 -2.833 112 HG SER 15 HG SER 15 -14.797 -2.974 -2.974 113 H GLY 16 HN GLY 16 -16.772 -0.470 -0.470 114 1HA GLY 16 HA2 GLY 16 -15.472 -0.695 -0.695 115 2HA GLY 16 HA1 GLY 16 -17.098 -0.094 -0.094 116 H ALA 17 HN ALA 17 -17.054 2.144 2.144 117 HA ALA 17 HA ALA 17 -15.884 3.984 3.984 118 1HB ALA 17 HB1 ALA 17 -17.217 4.324 4.324 119 2HB ALA 17 HB3 ALA 17 -16.617 5.688 5.688 120 3HB ALA 17 HB2 ALA 17 -17.878 4.646 4.646 121 H ALA 18 HN ALA 18 -15.023 3.021 3.021 122 HA ALA 18 HA ALA 18 -12.985 4.818 4.818 123 1HB ALA 18 HB3 ALA 18 -13.943 3.133 3.133 124 2HB ALA 18 HB2 ALA 18 -12.916 1.922 1.922 125 3HB ALA 18 HB1 ALA 18 -12.189 3.301 3.301 126 H ALA 19 HN ALA 19 -12.706 1.601 1.601 127 HA ALA 19 HA ALA 19 -9.938 1.777 1.777 128 1HB ALA 19 HB1 ALA 19 -12.104 0.089 0.089 129 2HB ALA 19 HB3 ALA 19 -10.392 -0.085 -0.085 130 3HB ALA 19 HB2 ALA 19 -10.959 -0.373 -0.373 131 H ARG 20 HN ARG 20 -12.790 2.657 2.657 132 HA ARG 20 HA ARG 20 -11.396 3.255 3.255 133 1HB ARG 20 HB1 ARG 20 -14.139 3.710 3.710 134 2HB ARG 20 HB2 ARG 20 -13.617 4.710 4.710 135 1HG ARG 20 HG2 ARG 20 -13.089 2.649 2.649 136 2HG ARG 20 HG1 ARG 20 -13.758 1.706 1.706 137 1HD ARG 20 HD2 ARG 20 -15.671 3.668 3.668 138 2HD ARG 20 HD1 ARG 20 -15.119 3.008 3.008 139 HE ARG 20 HE ARG 20 -15.587 0.818 0.818 140 1HH1 ARG 20 HH11 ARG 20 -17.459 3.557 3.557 141 2HH1 ARG 20 HH12 ARG 20 -18.964 2.702 2.702 142 1HH2 ARG 20 HH21 ARG 20 -17.567 -0.318 -0.318 143 2HH2 ARG 20 HH22 ARG 20 -19.027 0.500 0.500 144 H GLY 21 HN GLY 21 -11.422 4.775 4.775 145 1HA GLY 21 HA2 GLY 21 -9.882 6.675 6.675 146 2HA GLY 21 HA1 GLY 21 -10.620 7.337 7.337 147 H ASP 22 HN ASP 22 -13.094 7.586 7.586 148 HA ASP 22 HA ASP 22 -14.500 9.186 9.186 149 1HB ASP 22 HB1 ASP 22 -16.035 7.974 7.974 150 2HB ASP 22 HB2 ASP 22 -15.040 6.663 6.663 151 H VAL 23 HN VAL 23 -11.988 10.043 10.043 152 HA VAL 23 HA VAL 23 -11.441 10.356 10.356 153 HB VAL 23 HB VAL 23 -9.965 11.148 11.148 154 1HG1 VAL 23 HG11 VAL 23 -12.080 12.401 12.401 155 2HG1 VAL 23 HG13 VAL 23 -11.395 13.741 13.741 156 3HG1 VAL 23 HG12 VAL 23 -10.428 12.934 12.934 157 1HG2 VAL 23 HG23 VAL 23 -9.755 11.868 11.868 158 2HG2 VAL 23 HG22 VAL 23 -8.994 12.924 12.924 159 3HG2 VAL 23 HG21 VAL 23 -10.542 13.373 13.373 160 H GLN 24 HN GLN 24 -13.740 12.015 12.015 161 HA GLN 24 HA GLN 24 -14.487 13.972 13.972 162 1HB GLN 24 HB1 GLN 24 -15.728 13.051 13.051 163 2HB GLN 24 HB2 GLN 24 -16.479 14.271 14.271 164 1HG GLN 24 HG1 GLN 24 -15.127 15.863 15.863 165 2HG GLN 24 HG2 GLN 24 -13.694 14.862 14.862 166 1HE2 GLN 24 HE22 GLN 24 -13.773 15.543 15.543 167 2HE2 GLN 24 HE21 GLN 24 -13.465 16.366 16.366 168 H GLU 25 HN GLU 25 -15.799 10.874 10.874 169 HA GLU 25 HA GLU 25 -18.075 10.968 10.968 170 1HB GLU 25 HB1 GLU 25 -16.935 8.472 8.472 171 2HB GLU 25 HB2 GLU 25 -18.607 8.814 8.814 172 1HG GLU 25 HG1 GLU 25 -18.872 9.263 9.263 173 2HG GLU 25 HG2 GLU 25 -18.061 10.787 10.787 174 H VAL 26 HN VAL 26 -14.795 9.886 9.886 175 HA VAL 26 HA VAL 26 -14.984 7.992 7.992 176 HB VAL 26 HB VAL 26 -12.883 8.937 8.937 177 1HG1 VAL 26 HG11 VAL 26 -13.277 11.219 11.219 178 2HG1 VAL 26 HG13 VAL 26 -12.534 10.472 10.472 179 3HG1 VAL 26 HG12 VAL 26 -11.632 10.596 10.596 180 1HG2 VAL 26 HG23 VAL 26 -13.269 7.267 7.267 181 2HG2 VAL 26 HG22 VAL 26 -11.772 7.461 7.461 182 3HG2 VAL 26 HG21 VAL 26 -12.031 8.387 8.387 183 H ARG 27 HN ARG 27 -15.067 11.510 11.510 184 HA ARG 27 HA ARG 27 -15.130 11.527 11.527 185 1HB ARG 27 HB2 ARG 27 -16.000 13.708 13.708 186 2HB ARG 27 HB1 ARG 27 -15.583 13.896 13.896 187 1HG ARG 27 HG2 ARG 27 -13.336 13.729 13.729 188 2HG ARG 27 HG1 ARG 27 -13.548 12.761 12.761 189 1HD ARG 27 HD2 ARG 27 -14.296 14.698 14.698 190 2HD ARG 27 HD1 ARG 27 -14.252 15.683 15.683 191 HE ARG 27 HE ARG 27 -11.704 14.597 14.597 192 1HH1 ARG 27 HH21 ARG 27 -13.896 16.909 16.909 193 2HH1 ARG 27 HH22 ARG 27 -12.636 17.886 17.886 194 1HH2 ARG 27 HH11 ARG 27 -10.037 15.872 15.872 195 2HH2 ARG 27 HH12 ARG 27 -10.441 17.296 17.296 196 H ARG 28 HN ARG 28 -17.571 11.979 11.979 197 HA ARG 28 HA ARG 28 -19.756 12.317 12.317 198 1HB ARG 28 HB1 ARG 28 -19.381 11.890 11.890 199 2HB ARG 28 HB2 ARG 28 -20.933 11.372 11.372 200 1HG ARG 28 HG2 ARG 28 -21.431 13.557 13.557 201 2HG ARG 28 HG1 ARG 28 -19.789 14.113 14.113 202 1HD ARG 28 HD2 ARG 28 -20.206 14.444 14.444 203 2HD ARG 28 HD1 ARG 28 -21.179 12.981 12.981 204 HE ARG 28 HE ARG 28 -22.716 14.746 14.746 205 1HH1 ARG 28 HH21 ARG 28 -21.191 14.721 14.721 206 2HH1 ARG 28 HH22 ARG 28 -22.378 15.749 15.749 207 1HH2 ARG 28 HH11 ARG 28 -24.285 16.101 16.101 208 2HH2 ARG 28 HH12 ARG 28 -24.136 16.535 16.535 209 H LEU 29 HN LEU 29 -18.167 9.499 9.499 210 HA LEU 29 HA LEU 29 -20.143 7.578 7.578 211 1HB LEU 29 HB2 LEU 29 -17.173 7.555 7.555 212 2HB LEU 29 HB1 LEU 29 -17.990 6.131 6.131 213 HG LEU 29 HG LEU 29 -18.717 7.248 7.248 214 1HD1 LEU 29 HD13 LEU 29 -16.314 5.610 5.610 215 2HD1 LEU 29 HD12 LEU 29 -17.074 5.471 5.471 216 3HD1 LEU 29 HD11 LEU 29 -16.426 7.022 7.022 217 1HD2 LEU 29 HD22 LEU 29 -19.778 5.243 5.243 218 2HD2 LEU 29 HD21 LEU 29 -19.866 5.342 5.342 219 3HD2 LEU 29 HD23 LEU 29 -18.616 4.361 4.361 220 H LEU 30 HN LEU 30 -17.480 8.096 8.096 221 HA LEU 30 HA LEU 30 -18.872 6.740 6.740 222 1HB LEU 30 HB1 LEU 30 -16.610 8.529 8.529 223 2HB LEU 30 HB2 LEU 30 -16.939 6.889 6.889 224 HG LEU 30 HG LEU 30 -15.754 7.750 7.750 225 1HD1 LEU 30 HD12 LEU 30 -14.664 6.131 6.131 226 2HD1 LEU 30 HD11 LEU 30 -13.838 6.415 6.415 227 3HD1 LEU 30 HD13 LEU 30 -14.184 7.766 7.766 228 1HD2 LEU 30 HD21 LEU 30 -17.385 5.848 5.848 229 2HD2 LEU 30 HD23 LEU 30 -15.732 5.478 5.478 230 3HD2 LEU 30 HD22 LEU 30 -16.329 4.932 4.932 231 H HIS 31 HN HIS 31 -17.933 10.157 10.157 232 HA HIS 31 HA HIS 31 -19.264 11.055 11.055 233 1HB HIS 31 HB2 HIS 31 -18.374 12.583 12.583 234 2HB HIS 31 HB1 HIS 31 -18.926 13.324 13.324 235 HD2 HIS 31 HD2 HIS 31 -15.745 13.180 13.180 236 HE1 HIS 31 HE1 HIS 31 -14.966 11.683 11.683 237 HE2 HIS 31 HE2 HIS 31 -13.960 12.812 12.812 238 H ARG 32 HN ARG 32 -20.616 9.909 9.909 239 HA ARG 32 HA ARG 32 -23.138 11.236 11.236 240 1HB ARG 32 HB1 ARG 32 -21.620 12.003 12.003 241 2HB ARG 32 HB2 ARG 32 -22.859 10.951 10.951 242 1HG ARG 32 HG2 ARG 32 -23.948 12.942 12.942 243 2HG ARG 32 HG1 ARG 32 -24.435 12.432 12.432 244 1HD ARG 32 HD2 ARG 32 -23.630 14.373 14.373 245 2HD ARG 32 HD1 ARG 32 -22.022 13.728 13.728 246 HE ARG 32 HE ARG 32 -22.735 14.731 14.731 247 1HH1 ARG 32 HH21 ARG 32 -22.815 16.062 16.062 248 2HH1 ARG 32 HH22 ARG 32 -22.568 17.692 17.692 249 1HH2 ARG 32 HH11 ARG 32 -22.410 16.875 16.875 250 2HH2 ARG 32 HH12 ARG 32 -22.337 18.156 18.156 251 H GLU 33 HN GLU 33 -21.735 8.907 8.907 252 HA GLU 33 HA GLU 33 -24.111 7.353 7.353 253 1HB GLU 33 HB1 GLU 33 -22.030 7.523 7.523 254 2HB GLU 33 HB2 GLU 33 -21.453 6.167 6.167 255 1HG GLU 33 HG2 GLU 33 -24.218 5.888 5.888 256 2HG GLU 33 HG1 GLU 33 -23.044 5.988 5.988 257 H LEU 34 HN LEU 34 -21.944 7.695 7.695 258 HA LEU 34 HA LEU 34 -21.252 6.382 6.382 259 1HB LEU 34 HB1 LEU 34 -24.079 6.557 6.557 260 2HB LEU 34 HB2 LEU 34 -23.690 4.946 4.946 261 HG LEU 34 HG LEU 34 -22.323 5.975 5.975 262 1HD1 LEU 34 HD21 LEU 34 -22.188 8.178 8.178 263 2HD1 LEU 34 HD23 LEU 34 -23.646 8.585 8.585 264 3HD1 LEU 34 HD22 LEU 34 -22.147 8.229 8.229 265 1HD2 LEU 34 HD13 LEU 34 -25.225 6.115 6.115 266 2HD2 LEU 34 HD12 LEU 34 -24.250 5.469 5.469 267 3HD2 LEU 34 HD11 LEU 34 -24.583 7.199 7.199 268 H VAL 35 HN VAL 35 -20.765 5.164 5.164 269 HA VAL 35 HA VAL 35 -21.498 2.471 2.471 270 HB VAL 35 HB VAL 35 -20.362 3.823 3.823 271 1HG1 VAL 35 HG22 VAL 35 -18.338 4.005 4.005 272 2HG1 VAL 35 HG21 VAL 35 -17.699 2.975 2.975 273 3HG1 VAL 35 HG23 VAL 35 -18.295 4.589 4.589 274 1HG2 VAL 35 HG12 VAL 35 -20.573 1.176 1.176 275 2HG2 VAL 35 HG11 VAL 35 -19.804 1.917 1.917 276 3HG2 VAL 35 HG13 VAL 35 -18.817 1.314 1.314 277 H HIS 36 HN HIS 36 -19.947 0.608 0.608 278 HA HIS 36 HA HIS 36 -18.673 0.766 0.766 279 1HB HIS 36 HB2 HIS 36 -20.336 -1.149 -1.149 280 2HB HIS 36 HB1 HIS 36 -18.741 -1.891 -1.891 281 HD2 HIS 36 HD2 HIS 36 -21.155 -0.117 -0.117 282 HE1 HIS 36 HE1 HIS 36 -18.906 -3.141 -3.141 283 HE2 HIS 36 HE2 HIS 36 -20.602 -1.285 -1.285 284 HA PRO 37 HA PRO 37 -14.660 0.695 0.695 285 1HB PRO 37 HB1 PRO 37 -13.220 0.048 0.048 286 2HB PRO 37 HB2 PRO 37 -13.912 1.654 1.654 287 1HG PRO 37 HG1 PRO 37 -14.942 -0.614 -0.614 288 2HG PRO 37 HG2 PRO 37 -14.872 1.114 1.114 289 1HD PRO 37 HD2 PRO 37 -17.142 -0.111 -0.111 290 2HD PRO 37 HD1 PRO 37 -16.779 1.588 1.588 291 H ASP 38 HN ASP 38 -16.260 -1.998 -1.998 292 HA ASP 38 HA ASP 38 -14.150 -3.817 -3.817 293 1HB ASP 38 HB1 ASP 38 -16.329 -4.978 -4.978 294 2HB ASP 38 HB2 ASP 38 -14.590 -5.233 -5.233 295 H ALA 39 HN ALA 39 -15.588 -2.761 -2.761 296 HA ALA 39 HA ALA 39 -17.726 -4.668 -4.668 297 1HB ALA 39 HB3 ALA 39 -17.721 -1.978 -1.978 298 2HB ALA 39 HB2 ALA 39 -17.196 -2.456 -2.456 299 3HB ALA 39 HB1 ALA 39 -18.723 -3.060 -3.060 300 H LEU 40 HN LEU 40 -17.175 -6.386 -6.386 301 HA LEU 40 HA LEU 40 -14.801 -6.273 -6.273 302 1HB LEU 40 HB1 LEU 40 -16.445 -8.576 -8.576 303 2HB LEU 40 HB2 LEU 40 -15.142 -8.772 -8.772 304 HG LEU 40 HG LEU 40 -13.501 -8.348 -8.348 305 1HD1 LEU 40 HD22 LEU 40 -14.405 -6.149 -6.149 306 2HD1 LEU 40 HD21 LEU 40 -15.519 -6.963 -6.963 307 3HD1 LEU 40 HD23 LEU 40 -13.781 -7.073 -7.073 308 1HD2 LEU 40 HD13 LEU 40 -15.827 -9.710 -9.710 309 2HD2 LEU 40 HD12 LEU 40 -14.254 -10.358 -10.358 310 3HD2 LEU 40 HD11 LEU 40 -14.403 -9.361 -9.361 311 H ASN 41 HN ASN 41 -14.916 -7.476 -7.476 312 HA ASN 41 HA ASN 41 -17.456 -6.854 -6.854 313 1HB ASN 41 HB2 ASN 41 -16.251 -6.403 -6.403 314 2HB ASN 41 HB1 ASN 41 -15.298 -5.662 -5.662 315 1HD2 ASN 41 HD22 ASN 41 -12.620 -7.960 -7.960 316 2HD2 ASN 41 HD21 ASN 41 -13.495 -6.956 -6.956 317 H ARG 42 HN ARG 42 -17.400 -9.225 -9.225 318 HA ARG 42 HA ARG 42 -17.729 -11.465 -11.465 319 1HB ARG 42 HB1 ARG 42 -19.124 -10.302 -10.302 320 2HB ARG 42 HB2 ARG 42 -18.036 -11.291 -11.291 321 1HG ARG 42 HG1 ARG 42 -19.475 -12.556 -12.556 322 2HG ARG 42 HG2 ARG 42 -20.361 -12.205 -12.205 323 1HD ARG 42 HD2 ARG 42 -19.595 -14.162 -14.162 324 2HD ARG 42 HD1 ARG 42 -18.038 -13.353 -13.353 325 HE ARG 42 HE ARG 42 -17.254 -14.664 -14.664 326 1HH1 ARG 42 HH21 ARG 42 -20.721 -14.480 -14.480 327 2HH1 ARG 42 HH22 ARG 42 -20.802 -15.589 -15.589 328 1HH2 ARG 42 HH11 ARG 42 -17.350 -16.127 -16.127 329 2HH2 ARG 42 HH12 ARG 42 -18.886 -16.527 -16.527 330 H PHE 43 HN PHE 43 -15.015 -10.251 -10.251 331 HA PHE 43 HA PHE 43 -13.867 -12.576 -12.576 332 1HB PHE 43 HB1 PHE 43 -13.665 -9.933 -9.933 333 2HB PHE 43 HB2 PHE 43 -12.155 -10.210 -10.210 334 HD1 PHE 43 HD2 PHE 43 -14.273 -12.221 -12.221 335 HD2 PHE 43 HD1 PHE 43 -10.410 -10.668 -10.668 336 HE1 PHE 43 HE2 PHE 43 -13.350 -13.342 -13.342 337 HE2 PHE 43 HE1 PHE 43 -9.480 -11.786 -11.786 338 HZ PHE 43 HZ PHE 43 -10.943 -13.118 -13.118 339 H GLY 44 HN GLY 44 -14.127 -10.943 -10.943 340 1HA GLY 44 HA2 GLY 44 -13.216 -11.666 -11.666 341 2HA GLY 44 HA1 GLY 44 -11.992 -12.559 -12.559 342 H LYS 45 HN LYS 45 -12.544 -9.282 -9.282 343 HA LYS 45 HA LYS 45 -10.035 -8.518 -8.518 344 1HB LYS 45 HB1 LYS 45 -10.992 -6.923 -6.923 345 2HB LYS 45 HB2 LYS 45 -9.355 -7.381 -7.381 346 1HG LYS 45 HG1 LYS 45 -9.545 -9.484 -9.484 347 2HG LYS 45 HG2 LYS 45 -11.304 -9.379 -9.379 348 1HD LYS 45 HD1 LYS 45 -10.795 -8.884 -8.884 349 2HD LYS 45 HD2 LYS 45 -10.735 -7.258 -7.258 350 1HE LYS 45 HE2 LYS 45 -8.323 -7.420 -7.420 351 2HE LYS 45 HE1 LYS 45 -8.357 -9.073 -9.073 352 1HZ LYS 45 HZ1 LYS 45 -9.608 -7.756 -7.756 353 2HZ LYS 45 HZ3 LYS 45 -8.523 -6.568 -6.568 354 3HZ LYS 45 HZ2 LYS 45 -7.946 -8.072 -8.072 355 H THR 46 HN THR 46 -9.914 -6.560 -6.560 356 HA THR 46 HA THR 46 -12.476 -5.432 -5.432 357 HB THR 46 HB THR 46 -11.118 -4.186 -4.186 358 HG1 THR 46 HG1 THR 46 -8.945 -4.564 -4.564 359 1HG2 THR 46 HG23 THR 46 -11.932 -6.633 -6.633 360 2HG2 THR 46 HG22 THR 46 -10.214 -7.017 -7.017 361 3HG2 THR 46 HG21 THR 46 -10.791 -5.934 -5.934 362 H ALA 47 HN ALA 47 -12.380 -2.943 -2.943 363 HA ALA 47 HA ALA 47 -12.352 -1.667 -1.667 364 1HB ALA 47 HB3 ALA 47 -12.337 -0.570 -0.570 365 2HB ALA 47 HB2 ALA 47 -12.466 0.453 0.453 366 3HB ALA 47 HB1 ALA 47 -13.708 -0.752 -0.752 367 H LEU 48 HN LEU 48 -9.904 -1.829 -1.829 368 HA LEU 48 HA LEU 48 -8.142 0.054 0.054 369 1HB LEU 48 HB1 LEU 48 -8.155 -1.679 -1.679 370 2HB LEU 48 HB2 LEU 48 -6.572 -1.515 -1.515 371 HG LEU 48 HG LEU 48 -8.321 0.737 0.737 372 1HD1 LEU 48 HD11 LEU 48 -7.093 -0.773 -0.773 373 2HD1 LEU 48 HD13 LEU 48 -5.616 -0.048 -0.048 374 3HD1 LEU 48 HD12 LEU 48 -6.839 0.968 0.968 375 1HD2 LEU 48 HD21 LEU 48 -6.337 0.779 0.779 376 2HD2 LEU 48 HD23 LEU 48 -7.119 2.151 2.151 377 3HD2 LEU 48 HD22 LEU 48 -5.622 1.493 1.493 378 H GLN 49 HN GLN 49 -8.580 -3.415 -3.415 379 HA GLN 49 HA GLN 49 -6.121 -3.974 -3.974 380 1HB GLN 49 HB2 GLN 49 -7.607 -5.584 -5.584 381 2HB GLN 49 HB1 GLN 49 -8.579 -5.704 -5.704 382 1HG GLN 49 HG2 GLN 49 -6.830 -6.691 -6.691 383 2HG GLN 49 HG1 GLN 49 -5.628 -6.235 -6.235 384 1HE2 GLN 49 HE22 GLN 49 -5.954 -9.139 -9.139 385 2HE2 GLN 49 HE21 GLN 49 -5.102 -7.672 -7.672 386 H VAL 50 HN VAL 50 -8.729 -2.287 -2.287 387 HA VAL 50 HA VAL 50 -8.189 -3.021 -3.021 388 HB VAL 50 HB VAL 50 -10.657 -2.239 -2.239 389 1HG1 VAL 50 HG11 VAL 50 -9.634 -4.889 -4.889 390 2HG1 VAL 50 HG13 VAL 50 -11.365 -4.685 -4.685 391 3HG1 VAL 50 HG12 VAL 50 -10.221 -4.388 -4.388 392 1HG2 VAL 50 HG21 VAL 50 -10.534 -2.054 -2.054 393 2HG2 VAL 50 HG23 VAL 50 -11.981 -1.990 -1.990 394 3HG2 VAL 50 HG22 VAL 50 -11.454 -3.525 -3.525 395 H MET 51 HN MET 51 -9.473 -0.518 -0.518 396 HA MET 51 HA MET 51 -9.784 1.637 1.637 397 1HB MET 51 HB1 MET 51 -9.293 3.016 3.016 398 2HB MET 51 HB2 MET 51 -9.794 1.495 1.495 399 1HG MET 51 HG1 MET 51 -7.947 1.735 1.735 400 2HG MET 51 HG2 MET 51 -7.123 1.113 1.113 401 1HE MET 51 HE2 MET 51 -5.083 1.787 1.787 402 2HE MET 51 HE1 MET 51 -4.450 3.393 3.393 403 3HE MET 51 HE3 MET 51 -4.777 2.931 2.931 404 H MET 52 HN MET 52 -8.582 3.117 3.117 405 HA MET 52 HA MET 52 -5.898 2.270 2.270 406 1HB MET 52 HB1 MET 52 -6.068 3.981 3.981 407 2HB MET 52 HB2 MET 52 -7.440 2.882 2.882 408 1HG MET 52 HG1 MET 52 -8.799 4.616 4.616 409 2HG MET 52 HG2 MET 52 -8.165 5.020 5.020 410 1HE MET 52 HE1 MET 52 -9.072 5.938 5.938 411 2HE MET 52 HE3 MET 52 -8.719 7.662 7.662 412 3HE MET 52 HE2 MET 52 -7.727 6.624 6.624 413 H PHE 53 HN PHE 53 -4.046 3.533 3.533 414 HA PHE 53 HA PHE 53 -4.083 5.403 5.403 415 1HB PHE 53 HB1 PHE 53 -1.807 4.233 4.233 416 2HB PHE 53 HB2 PHE 53 -1.595 5.325 5.325 417 HD1 PHE 53 HD2 PHE 53 -3.638 2.259 2.259 418 HD2 PHE 53 HD1 PHE 53 -0.884 4.269 4.269 419 HE1 PHE 53 HE2 PHE 53 -3.673 0.338 0.338 420 HE2 PHE 53 HE1 PHE 53 -0.915 2.351 2.351 421 HZ PHE 53 HZ PHE 53 -2.325 0.380 0.380 422 H GLY 54 HN GLY 54 -5.163 6.039 6.039 423 1HA GLY 54 HA2 GLY 54 -3.402 7.982 7.982 424 2HA GLY 54 HA1 GLY 54 -5.097 7.756 7.756 425 H SER 55 HN SER 55 -6.184 8.157 8.157 426 HA SER 55 HA SER 55 -5.669 11.037 11.037 427 1HB SER 55 HB1 SER 55 -8.176 9.625 9.625 428 2HB SER 55 HB2 SER 55 -7.933 11.344 11.344 429 HG SER 55 HG SER 55 -8.202 11.021 11.021 430 HA PRO 56 HA PRO 56 -3.885 9.938 9.938 431 1HB PRO 56 HB2 PRO 56 -4.245 12.845 12.845 432 2HB PRO 56 HB1 PRO 56 -2.787 11.856 11.856 433 1HG PRO 56 HG1 PRO 56 -3.121 13.536 13.536 434 2HG PRO 56 HG2 PRO 56 -2.368 11.947 11.947 435 1HD PRO 56 HD1 PRO 56 -5.153 12.839 12.839 436 2HD PRO 56 HD2 PRO 56 -4.062 11.788 11.788 437 H ALA 57 HN ALA 57 -6.593 12.230 12.230 438 HA ALA 57 HA ALA 57 -7.476 11.982 11.982 439 1HB ALA 57 HB1 ALA 57 -8.118 13.769 13.769 440 2HB ALA 57 HB3 ALA 57 -9.255 12.601 12.601 441 3HB ALA 57 HB2 ALA 57 -9.426 13.136 13.136 442 H VAL 58 HN VAL 58 -7.981 10.004 10.004 443 HA VAL 58 HA VAL 58 -10.247 8.586 8.586 444 HB VAL 58 HB VAL 58 -8.093 8.130 8.130 445 1HG1 VAL 58 HG12 VAL 58 -9.710 5.980 5.980 446 2HG1 VAL 58 HG11 VAL 58 -9.488 5.942 5.942 447 3HG1 VAL 58 HG13 VAL 58 -8.086 5.932 5.932 448 1HG2 VAL 58 HG21 VAL 58 -10.382 9.380 9.380 449 2HG2 VAL 58 HG23 VAL 58 -9.773 8.380 8.380 450 3HG2 VAL 58 HG22 VAL 58 -11.012 7.749 7.749 451 H ALA 59 HN ALA 59 -6.771 7.909 7.909 452 HA ALA 59 HA ALA 59 -7.031 5.501 5.501 453 1HB ALA 59 HB3 ALA 59 -4.827 7.455 7.455 454 2HB ALA 59 HB2 ALA 59 -4.631 6.223 6.223 455 3HB ALA 59 HB1 ALA 59 -4.926 5.747 5.747 456 H LEU 60 HN LEU 60 -6.735 8.866 8.866 457 HA LEU 60 HA LEU 60 -6.497 8.395 8.395 458 1HB LEU 60 HB1 LEU 60 -6.102 10.561 10.561 459 2HB LEU 60 HB2 LEU 60 -7.837 10.796 10.796 460 HG LEU 60 HG LEU 60 -6.267 11.915 11.915 461 1HD1 LEU 60 HD21 LEU 60 -8.751 11.955 11.955 462 2HD1 LEU 60 HD23 LEU 60 -8.754 10.474 10.474 463 3HD1 LEU 60 HD22 LEU 60 -8.076 11.956 11.956 464 1HD2 LEU 60 HD11 LEU 60 -5.334 9.546 9.546 465 2HD2 LEU 60 HD13 LEU 60 -5.633 10.675 10.675 466 3HD2 LEU 60 HD12 LEU 60 -6.789 9.386 9.386 467 H GLU 61 HN GLU 61 -9.338 9.080 9.080 468 HA GLU 61 HA GLU 61 -11.238 9.002 9.002 469 1HB GLU 61 HB2 GLU 61 -11.288 8.934 8.934 470 2HB GLU 61 HB1 GLU 61 -12.685 8.219 8.219 471 1HG GLU 61 HG1 GLU 61 -13.529 10.255 10.255 472 2HG GLU 61 HG2 GLU 61 -12.261 10.617 10.617 473 H LEU 62 HN LEU 62 -10.181 6.498 6.498 474 HA LEU 62 HA LEU 62 -11.864 4.456 4.456 475 1HB LEU 62 HB1 LEU 62 -9.332 4.521 4.521 476 2HB LEU 62 HB2 LEU 62 -9.925 2.983 2.983 477 HG LEU 62 HG LEU 62 -11.195 4.830 4.830 478 1HD1 LEU 62 HD11 LEU 62 -9.579 3.014 3.014 479 2HD1 LEU 62 HD13 LEU 62 -10.776 1.853 1.853 480 3HD1 LEU 62 HD12 LEU 62 -11.169 2.939 2.939 481 1HD2 LEU 62 HD22 LEU 62 -12.511 2.824 2.824 482 2HD2 LEU 62 HD21 LEU 62 -13.078 4.413 4.413 483 3HD2 LEU 62 HD23 LEU 62 -13.097 3.060 3.060 484 H LEU 63 HN LEU 63 -8.412 5.062 5.062 485 HA LEU 63 HA LEU 63 -8.132 3.039 3.039 486 1HB LEU 63 HB2 LEU 63 -6.405 4.649 4.649 487 2HB LEU 63 HB1 LEU 63 -6.479 5.484 5.484 488 HG LEU 63 HG LEU 63 -5.796 2.559 2.559 489 1HD1 LEU 63 HD13 LEU 63 -4.059 5.003 5.003 490 2HD1 LEU 63 HD12 LEU 63 -3.475 3.416 3.416 491 3HD1 LEU 63 HD11 LEU 63 -4.017 3.673 3.673 492 1HD2 LEU 63 HD23 LEU 63 -6.675 3.902 3.902 493 2HD2 LEU 63 HD22 LEU 63 -5.676 2.450 2.450 494 3HD2 LEU 63 HD21 LEU 63 -4.924 4.039 4.039 495 H LYS 64 HN LYS 64 -8.890 6.486 6.486 496 HA LYS 64 HA LYS 64 -8.879 6.603 6.603 497 1HB LYS 64 HB2 LYS 64 -8.829 8.600 8.600 498 2HB LYS 64 HB1 LYS 64 -10.476 8.266 8.266 499 1HG LYS 64 HG1 LYS 64 -11.227 8.530 8.530 500 2HG LYS 64 HG2 LYS 64 -9.578 8.978 8.978 501 1HD LYS 64 HD2 LYS 64 -10.482 10.519 10.519 502 2HD LYS 64 HD1 LYS 64 -11.606 10.672 10.672 503 1HE LYS 64 HE2 LYS 64 -8.737 10.856 10.856 504 2HE LYS 64 HE1 LYS 64 -9.401 12.186 12.186 505 1HZ LYS 64 HZ3 LYS 64 -10.935 11.322 11.322 506 2HZ LYS 64 HZ2 LYS 64 -9.491 12.150 12.150 507 3HZ LYS 64 HZ1 LYS 64 -10.703 12.876 12.876 508 H GLN 65 HN GLN 65 -11.214 5.406 5.406 509 HA GLN 65 HA GLN 65 -13.533 5.550 5.550 510 1HB GLN 65 HB2 GLN 65 -13.221 4.920 4.920 511 2HB GLN 65 HB1 GLN 65 -13.036 3.281 3.281 512 1HG GLN 65 HG2 GLN 65 -15.238 3.458 3.458 513 2HG GLN 65 HG1 GLN 65 -15.424 5.070 5.070 514 1HE2 GLN 65 HE22 GLN 65 -17.256 3.081 3.081 515 2HE2 GLN 65 HE21 GLN 65 -17.397 3.842 3.842 516 H GLY 66 HN GLY 66 -10.727 3.688 3.688 517 1HA GLY 66 HA2 GLY 66 -10.288 2.410 2.410 518 2HA GLY 66 HA1 GLY 66 -12.018 2.183 2.183 519 H ALA 67 HN ALA 67 -9.513 1.421 1.421 520 HA ALA 67 HA ALA 67 -10.678 -1.281 -1.281 521 1HB ALA 67 HB1 ALA 67 -10.051 0.658 0.658 522 2HB ALA 67 HB3 ALA 67 -9.324 -0.923 -0.923 523 3HB ALA 67 HB2 ALA 67 -11.068 -0.783 -0.783 524 H SER 68 HN SER 68 -9.032 -2.877 -2.877 525 HA SER 68 HA SER 68 -6.486 -2.484 -2.484 526 1HB SER 68 HB2 SER 68 -6.840 -5.202 -5.202 527 2HB SER 68 HB1 SER 68 -6.794 -4.542 -4.542 528 HG SER 68 HG SER 68 -8.867 -4.800 -4.800 529 HA PRO 69 HA PRO 69 -5.028 -2.142 -2.142 530 1HB PRO 69 HB2 PRO 69 -2.604 -1.105 -1.105 531 2HB PRO 69 HB1 PRO 69 -4.066 -0.130 -0.130 532 1HG PRO 69 HG2 PRO 69 -2.802 -1.224 -1.224 533 2HG PRO 69 HG1 PRO 69 -3.506 0.378 0.378 534 1HD PRO 69 HD1 PRO 69 -4.836 -1.562 -1.562 535 2HD PRO 69 HD2 PRO 69 -5.668 -0.383 -0.383 536 H ASN 70 HN ASN 70 -4.025 -3.988 -3.988 537 HA ASN 70 HA ASN 70 -1.777 -5.233 -5.233 538 1HB ASN 70 HB2 ASN 70 -2.922 -6.395 -6.395 539 2HB ASN 70 HB1 ASN 70 -1.238 -6.173 -6.173 540 1HD2 ASN 70 HD22 ASN 70 -1.666 -2.534 -2.534 541 2HD2 ASN 70 HD21 ASN 70 -1.482 -3.411 -3.411 542 H VAL 71 HN VAL 71 -3.480 -5.740 -5.740 543 HA VAL 71 HA VAL 71 -4.646 -8.388 -8.388 544 HB VAL 71 HB VAL 71 -6.207 -7.918 -7.918 545 1HG1 VAL 71 HG23 VAL 71 -6.218 -6.451 -6.451 546 2HG1 VAL 71 HG22 VAL 71 -7.458 -6.055 -6.055 547 3HG1 VAL 71 HG21 VAL 71 -7.305 -7.708 -7.708 548 1HG2 VAL 71 HG13 VAL 71 -4.933 -5.203 -5.203 549 2HG2 VAL 71 HG12 VAL 71 -5.115 -6.220 -6.220 550 3HG2 VAL 71 HG11 VAL 71 -6.529 -5.449 -5.449 551 H GLN 72 HN GLN 72 -3.847 -10.050 -10.050 552 HA GLN 72 HA GLN 72 -2.090 -9.478 -9.478 553 1HB GLN 72 HB2 GLN 72 -2.254 -12.110 -12.110 554 2HB GLN 72 HB1 GLN 72 -0.940 -11.482 -11.482 555 1HG GLN 72 HG2 GLN 72 -0.119 -10.170 -10.170 556 2HG GLN 72 HG1 GLN 72 -1.689 -10.002 -10.002 557 1HE2 GLN 72 HE22 GLN 72 0.309 -12.117 -12.117 558 2HE2 GLN 72 HE21 GLN 72 0.296 -10.481 -10.481 559 H ASP 73 HN ASP 73 -2.375 -10.460 -10.460 560 HA ASP 73 HA ASP 73 -5.030 -11.528 -11.528 561 1HB ASP 73 HB1 ASP 73 -4.530 -11.244 -11.244 562 2HB ASP 73 HB2 ASP 73 -4.020 -9.793 -9.793 563 H ALA 74 HN ALA 74 -4.937 -13.290 -13.290 564 HA ALA 74 HA ALA 74 -3.996 -15.659 -15.659 565 1HB ALA 74 HB1 ALA 74 -5.105 -15.123 -15.123 566 2HB ALA 74 HB3 ALA 74 -4.687 -16.736 -16.736 567 3HB ALA 74 HB2 ALA 74 -5.943 -15.802 -15.802 568 H SER 75 HN SER 75 -2.358 -13.339 -13.339 569 HA SER 75 HA SER 75 -0.299 -15.277 -15.277 570 1HB SER 75 HB2 SER 75 0.034 -14.133 -14.133 571 2HB SER 75 HB1 SER 75 -1.584 -13.502 -13.502 572 HG SER 75 HG SER 75 0.844 -12.234 -12.234 573 H GLY 76 HN GLY 76 -0.850 -13.684 -13.684 574 1HA GLY 76 HA1 GLY 76 0.429 -12.730 -12.730 575 2HA GLY 76 HA2 GLY 76 1.825 -13.339 -13.339 576 H THR 77 HN THR 77 -0.375 -10.629 -10.629 577 HA THR 77 HA THR 77 1.598 -8.685 -8.685 578 HB THR 77 HB THR 77 0.125 -9.445 -9.445 579 HG1 THR 77 HG1 THR 77 2.701 -8.391 -8.391 580 1HG2 THR 77 HG23 THR 77 0.493 -6.734 -6.734 581 2HG2 THR 77 HG22 THR 77 1.413 -7.057 -7.057 582 3HG2 THR 77 HG21 THR 77 -0.326 -7.351 -7.351 583 H SER 78 HN SER 78 0.852 -6.707 -6.707 584 HA SER 78 HA SER 78 -2.062 -6.466 -6.466 585 1HB SER 78 HB1 SER 78 -1.753 -5.878 -5.878 586 2HB SER 78 HB2 SER 78 -0.095 -6.442 -6.442 587 HG SER 78 HG SER 78 -0.730 -4.078 -4.078 588 HA PRO 79 HA PRO 79 -2.504 -2.497 -2.497 589 1HB PRO 79 HB1 PRO 79 -2.265 -1.119 -1.119 590 2HB PRO 79 HB2 PRO 79 -3.505 -0.947 -0.947 591 1HG PRO 79 HG2 PRO 79 -3.977 -2.336 -2.336 592 2HG PRO 79 HG1 PRO 79 -4.633 -2.854 -2.854 593 1HD PRO 79 HD2 PRO 79 -2.397 -3.983 -3.983 594 2HD PRO 79 HD1 PRO 79 -3.522 -4.794 -4.794 595 H VAL 80 HN VAL 80 -0.280 -2.135 -2.135 596 HA VAL 80 HA VAL 80 1.302 -0.113 -0.113 597 HB VAL 80 HB VAL 80 1.304 -1.721 -1.721 598 1HG1 VAL 80 HG11 VAL 80 2.876 -3.273 -3.273 599 2HG1 VAL 80 HG13 VAL 80 4.026 -1.946 -1.946 600 3HG1 VAL 80 HG12 VAL 80 3.546 -2.518 -2.518 601 1HG2 VAL 80 HG23 VAL 80 3.117 0.497 0.497 602 2HG2 VAL 80 HG22 VAL 80 1.652 0.609 0.609 603 3HG2 VAL 80 HG21 VAL 80 3.102 -0.139 -0.139 604 H HIS 81 HN HIS 81 1.782 -3.625 -3.625 605 HA HIS 81 HA HIS 81 4.170 -3.615 -3.615 606 1HB HIS 81 HB2 HIS 81 1.798 -5.472 -5.472 607 2HB HIS 81 HB1 HIS 81 3.333 -5.774 -5.774 608 HD2 HIS 81 HD2 HIS 81 4.812 -7.467 -7.467 609 HE1 HIS 81 HE1 HIS 81 3.493 -6.296 -6.296 610 HE2 HIS 81 HE2 HIS 81 5.150 -7.719 -7.719 611 H ASP 82 HN ASP 82 0.935 -3.848 -3.848 612 HA ASP 82 HA ASP 82 1.771 -3.502 -3.502 613 1HB ASP 82 HB1 ASP 82 -0.848 -2.327 -2.327 614 2HB ASP 82 HB2 ASP 82 -0.647 -3.917 -3.917 615 H ALA 83 HN ALA 83 0.421 -1.070 -1.070 616 HA ALA 83 HA ALA 83 0.569 1.146 1.146 617 1HB ALA 83 HB2 ALA 83 0.896 0.903 0.903 618 2HB ALA 83 HB1 ALA 83 0.804 2.453 2.453 619 3HB ALA 83 HB3 ALA 83 -0.554 1.331 1.331 620 H ALA 84 HN ALA 84 3.129 -0.318 -0.318 621 HA ALA 84 HA ALA 84 5.044 1.721 1.721 622 1HB ALA 84 HB1 ALA 84 5.235 -1.197 -1.197 623 2HB ALA 84 HB3 ALA 84 6.682 -0.209 -0.209 624 3HB ALA 84 HB2 ALA 84 5.509 0.199 0.199 625 H ARG 85 HN ARG 85 4.462 -1.271 -1.271 626 HA ARG 85 HA ARG 85 6.554 -0.771 -0.771 627 1HB ARG 85 HB1 ARG 85 5.957 -3.039 -3.039 628 2HB ARG 85 HB2 ARG 85 4.248 -2.706 -2.706 629 1HG ARG 85 HG1 ARG 85 4.750 -2.162 -2.162 630 2HG ARG 85 HG2 ARG 85 6.424 -2.642 -2.642 631 1HD ARG 85 HD2 ARG 85 5.894 -4.870 -4.870 632 2HD ARG 85 HD1 ARG 85 4.234 -4.535 -4.535 633 HE ARG 85 HE ARG 85 5.256 -4.721 -4.721 634 1HH1 ARG 85 HH11 ARG 85 2.627 -3.804 -3.804 635 2HH1 ARG 85 HH12 ARG 85 1.439 -3.845 -3.845 636 1HH2 ARG 85 HH21 ARG 85 3.699 -4.777 -4.777 637 2HH2 ARG 85 HH22 ARG 85 2.048 -4.398 -4.398 638 H THR 86 HN THR 86 3.191 0.097 0.097 639 HA THR 86 HA THR 86 2.809 0.707 0.707 640 HB THR 86 HB THR 86 0.746 1.737 1.737 641 HG1 THR 86 HG1 THR 86 1.990 1.885 1.885 642 1HG2 THR 86 HG21 THR 86 1.456 -0.850 -0.850 643 2HG2 THR 86 HG23 THR 86 0.297 -0.067 -0.067 644 3HG2 THR 86 HG22 THR 86 -0.085 -0.273 -0.273 645 H GLY 87 HN GLY 87 3.716 2.617 2.617 646 1HA GLY 87 HA1 GLY 87 5.181 4.481 4.481 647 2HA GLY 87 HA2 GLY 87 4.760 4.675 4.675 648 H PHE 88 HN PHE 88 3.323 4.852 4.852 649 HA PHE 88 HA PHE 88 2.020 7.349 7.349 650 1HB PHE 88 HB2 PHE 88 0.584 4.856 4.856 651 2HB PHE 88 HB1 PHE 88 -0.099 6.450 6.450 652 HD1 PHE 88 HD2 PHE 88 0.967 4.096 4.096 653 HD2 PHE 88 HD1 PHE 88 -1.134 7.694 7.694 654 HE1 PHE 88 HE2 PHE 88 0.022 4.113 4.113 655 HE2 PHE 88 HE1 PHE 88 -2.083 7.719 7.719 656 HZ PHE 88 HZ PHE 88 -1.509 5.928 5.928 657 H LEU 89 HN LEU 89 4.145 7.361 7.361 658 HA LEU 89 HA LEU 89 3.956 6.843 6.843 659 1HB LEU 89 HB1 LEU 89 6.057 7.501 7.501 660 2HB LEU 89 HB2 LEU 89 5.430 8.903 8.903 661 HG LEU 89 HG LEU 89 4.890 9.824 9.824 662 1HD1 LEU 89 HD21 LEU 89 5.352 7.539 7.539 663 2HD1 LEU 89 HD23 LEU 89 7.060 7.928 7.928 664 3HD1 LEU 89 HD22 LEU 89 6.038 8.951 8.951 665 1HD2 LEU 89 HD12 LEU 89 6.718 10.554 10.554 666 2HD2 LEU 89 HD11 LEU 89 6.998 10.876 10.876 667 3HD2 LEU 89 HD13 LEU 89 7.806 9.519 9.519 668 H ASP 90 HN ASP 90 2.281 9.198 9.198 669 HA ASP 90 HA ASP 90 1.756 11.121 11.121 670 1HB ASP 90 HB1 ASP 90 -0.074 11.856 11.856 671 2HB ASP 90 HB2 ASP 90 -0.005 10.345 10.345 672 H THR 91 HN THR 91 -0.636 8.827 8.827 673 HA THR 91 HA THR 91 -2.225 8.966 8.966 674 HB THR 91 HB THR 91 -2.451 6.880 6.880 675 HG1 THR 91 HG1 THR 91 -2.678 9.538 9.538 676 1HG2 THR 91 HG21 THR 91 -4.465 8.136 8.136 677 2HG2 THR 91 HG23 THR 91 -4.876 7.114 7.114 678 3HG2 THR 91 HG22 THR 91 -3.943 6.452 6.452 679 H LEU 92 HN LEU 92 0.403 7.043 7.043 680 HA LEU 92 HA LEU 92 -0.073 4.753 4.753 681 1HB LEU 92 HB1 LEU 92 1.406 4.640 4.640 682 2HB LEU 92 HB2 LEU 92 2.467 5.841 5.841 683 HG LEU 92 HG LEU 92 2.967 4.244 4.244 684 1HD1 LEU 92 HD22 LEU 92 0.806 2.809 2.809 685 2HD1 LEU 92 HD21 LEU 92 2.260 1.811 1.811 686 3HD1 LEU 92 HD23 LEU 92 1.639 2.492 2.492 687 1HD2 LEU 92 HD13 LEU 92 4.395 4.492 4.492 688 2HD2 LEU 92 HD12 LEU 92 4.487 2.896 2.896 689 3HD2 LEU 92 HD11 LEU 92 3.539 3.130 3.130 690 H LYS 93 HN LYS 93 1.839 7.701 7.701 691 HA LYS 93 HA LYS 93 3.018 7.109 7.109 692 1HB LYS 93 HB2 LYS 93 3.871 8.921 8.921 693 2HB LYS 93 HB1 LYS 93 2.306 9.722 9.722 694 1HG LYS 93 HG1 LYS 93 2.464 10.234 10.234 695 2HG LYS 93 HG2 LYS 93 3.952 9.293 9.293 696 1HD LYS 93 HD1 LYS 93 4.326 11.748 11.748 697 2HD LYS 93 HD2 LYS 93 5.127 10.825 10.825 698 1HE LYS 93 HE1 LYS 93 3.995 12.911 12.911 699 2HE LYS 93 HE2 LYS 93 3.471 11.437 11.437 700 1HZ LYS 93 HZ2 LYS 93 1.967 12.324 12.324 701 2HZ LYS 93 HZ1 LYS 93 1.755 13.180 13.180 702 3HZ LYS 93 HZ3 LYS 93 1.426 11.520 11.520 703 H VAL 94 HN VAL 94 -0.027 8.762 8.762 704 HA VAL 94 HA VAL 94 -0.767 9.536 9.536 705 HB VAL 94 HB VAL 94 -3.107 8.533 8.533 706 1HG1 VAL 94 HG11 VAL 94 -2.060 11.282 11.282 707 2HG1 VAL 94 HG13 VAL 94 -3.678 10.955 10.955 708 3HG1 VAL 94 HG12 VAL 94 -3.192 10.321 10.321 709 1HG2 VAL 94 HG23 VAL 94 -1.723 8.640 8.640 710 2HG2 VAL 94 HG22 VAL 94 -2.999 9.855 9.855 711 3HG2 VAL 94 HG21 VAL 94 -1.339 10.322 10.322 712 H LEU 95 HN LEU 95 -1.584 6.483 6.483 713 HA LEU 95 HA LEU 95 -2.740 5.333 5.333 714 1HB LEU 95 HB1 LEU 95 -2.658 3.212 3.212 715 2HB LEU 95 HB2 LEU 95 -3.552 4.535 4.535 716 HG LEU 95 HG LEU 95 -1.044 4.876 4.876 717 1HD1 LEU 95 HD11 LEU 95 -0.566 2.583 2.583 718 2HD1 LEU 95 HD13 LEU 95 -1.559 1.939 1.939 719 3HD1 LEU 95 HD12 LEU 95 -0.094 2.847 2.847 720 1HD2 LEU 95 HD21 LEU 95 -3.500 4.710 4.710 721 2HD2 LEU 95 HD23 LEU 95 -2.090 4.521 4.521 722 3HD2 LEU 95 HD22 LEU 95 -2.955 3.098 3.098 723 H VAL 96 HN VAL 96 0.377 5.027 5.027 724 HA VAL 96 HA VAL 96 1.435 2.997 2.997 725 HB VAL 96 HB VAL 96 2.642 5.017 5.017 726 1HG1 VAL 96 HG13 VAL 96 4.149 3.333 3.333 727 2HG1 VAL 96 HG12 VAL 96 4.875 3.871 3.871 728 3HG1 VAL 96 HG11 VAL 96 4.319 5.057 5.057 729 1HG2 VAL 96 HG23 VAL 96 1.578 2.776 2.776 730 2HG2 VAL 96 HG22 VAL 96 3.161 3.166 3.166 731 3HG2 VAL 96 HG21 VAL 96 3.030 2.047 2.047 732 H GLU 97 HN GLU 97 1.905 6.530 6.530 733 HA GLU 97 HA GLU 97 3.529 6.618 6.618 734 1HB GLU 97 HB2 GLU 97 3.000 8.924 8.924 735 2HB GLU 97 HB1 GLU 97 2.933 8.528 8.528 736 1HG GLU 97 HG2 GLU 97 0.437 8.421 8.421 737 2HG GLU 97 HG1 GLU 97 1.074 9.983 9.983 738 H HIS 98 HN HIS 98 0.098 6.138 6.138 739 HA HIS 98 HA HIS 98 -0.542 6.676 6.676 740 1HB HIS 98 HB1 HIS 98 -2.160 6.729 6.729 741 2HB HIS 98 HB2 HIS 98 -2.126 4.968 4.968 742 HD2 HIS 98 HD2 HIS 98 -2.826 4.000 4.000 743 HE1 HIS 98 HE1 HIS 98 -5.595 7.184 7.184 744 HE2 HIS 98 HE2 HIS 98 -4.753 5.036 5.036 745 H GLY 99 HN GLY 99 -0.333 3.623 3.623 746 1HA GLY 99 HA2 GLY 99 1.143 2.184 2.184 747 2HA GLY 99 HA1 GLY 99 -0.526 2.003 2.003 748 H ALA 100 HN ALA 100 0.513 2.288 2.288 749 HA ALA 100 HA ALA 100 -0.922 -0.047 -0.047 750 1HB ALA 100 HB3 ALA 100 -0.313 2.050 2.050 751 2HB ALA 100 HB2 ALA 100 1.184 1.181 1.181 752 3HB ALA 100 HB1 ALA 100 -0.366 0.472 0.472 753 H ASP 101 HN ASP 101 -0.309 -2.085 -2.085 754 HA ASP 101 HA ASP 101 1.868 -3.128 -3.128 755 1HB ASP 101 HB2 ASP 101 1.096 -4.613 -4.613 756 2HB ASP 101 HB1 ASP 101 -0.219 -4.213 -4.213 757 H VAL 102 HN VAL 102 3.784 -2.034 -2.034 758 HA VAL 102 HA VAL 102 4.909 -2.234 -2.234 759 HB VAL 102 HB VAL 102 6.672 -0.629 -0.629 760 1HG1 VAL 102 HG13 VAL 102 4.870 -0.310 -0.310 761 2HG1 VAL 102 HG12 VAL 102 4.118 0.715 0.715 762 3HG1 VAL 102 HG11 VAL 102 5.761 1.054 1.054 763 1HG2 VAL 102 HG22 VAL 102 5.388 -0.874 -0.874 764 2HG2 VAL 102 HG21 VAL 102 5.806 0.763 0.763 765 3HG2 VAL 102 HG23 VAL 102 4.165 0.162 0.162 766 H ASN 103 HN ASN 103 4.831 -4.181 -4.181 767 HA ASN 103 HA ASN 103 7.598 -5.052 -5.052 768 1HB ASN 103 HB1 ASN 103 6.277 -4.619 -4.619 769 2HB ASN 103 HB2 ASN 103 7.775 -5.517 -5.517 770 1HD2 ASN 103 HD22 ASN 103 7.723 -1.451 -1.451 771 2HD2 ASN 103 HD21 ASN 103 6.265 -2.369 -2.369 772 H ALA 104 HN ALA 104 5.222 -6.061 -6.061 773 HA ALA 104 HA ALA 104 5.136 -8.714 -8.714 774 1HB ALA 104 HB1 ALA 104 2.882 -6.935 -6.935 775 2HB ALA 104 HB3 ALA 104 2.688 -8.659 -8.659 776 3HB ALA 104 HB2 ALA 104 3.030 -8.099 -8.099 777 H LEU 105 HN LEU 105 5.789 -10.253 -10.253 778 HA LEU 105 HA LEU 105 5.479 -9.821 -9.821 779 1HB LEU 105 HB1 LEU 105 7.557 -11.713 -11.713 780 2HB LEU 105 HB2 LEU 105 7.588 -10.524 -10.524 781 HG LEU 105 HG LEU 105 7.634 -9.273 -9.273 782 1HD1 LEU 105 HD11 LEU 105 8.864 -11.592 -11.592 783 2HD1 LEU 105 HD13 LEU 105 10.153 -10.721 -10.721 784 3HD1 LEU 105 HD12 LEU 105 9.536 -10.122 -10.122 785 1HD2 LEU 105 HD22 LEU 105 8.225 -8.404 -8.404 786 2HD2 LEU 105 HD21 LEU 105 9.199 -7.894 -7.894 787 3HD2 LEU 105 HD23 LEU 105 9.789 -9.161 -9.161 788 H ASP 106 HN ASP 106 4.850 -11.571 -11.571 789 HA ASP 106 HA ASP 106 4.393 -14.145 -14.145 790 1HB ASP 106 HB1 ASP 106 1.891 -13.749 -13.749 791 2HB ASP 106 HB2 ASP 106 2.234 -12.191 -12.191 792 H SER 107 HN SER 107 4.283 -15.779 -15.779 793 HA SER 107 HA SER 107 4.759 -16.797 -16.797 794 1HB SER 107 HB2 SER 107 2.773 -14.720 -14.720 795 2HB SER 107 HB1 SER 107 3.278 -16.130 -16.130 796 HG SER 107 HG SER 107 2.119 -17.400 -17.400 797 H THR 108 HN THR 108 6.421 -14.475 -14.475 798 HA THR 108 HA THR 108 7.927 -14.261 -14.261 799 HB THR 108 HB THR 108 7.785 -11.584 -11.584 800 HG1 THR 108 HG1 THR 108 5.203 -12.631 -12.631 801 1HG2 THR 108 HG21 THR 108 6.984 -13.346 -13.346 802 2HG2 THR 108 HG23 THR 108 5.623 -12.260 -12.260 803 3HG2 THR 108 HG22 THR 108 7.212 -11.601 -11.601 804 H GLY 109 HN GLY 109 7.356 -13.021 -13.021 805 1HA GLY 109 HA1 GLY 109 8.808 -12.744 -12.744 806 2HA GLY 109 HA2 GLY 109 9.993 -13.660 -13.660 807 H SER 110 HN SER 110 8.814 -11.030 -11.030 808 HA SER 110 HA SER 110 11.270 -9.529 -9.529 809 1HB SER 110 HB1 SER 110 10.605 -10.364 -10.364 810 2HB SER 110 HB2 SER 110 9.505 -8.986 -8.986 811 HG SER 110 HG SER 110 11.156 -7.793 -7.793 812 H LEU 111 HN LEU 111 11.189 -7.584 -7.584 813 HA LEU 111 HA LEU 111 8.774 -6.565 -6.565 814 1HB LEU 111 HB1 LEU 111 11.561 -5.466 -5.466 815 2HB LEU 111 HB2 LEU 111 10.258 -4.507 -4.507 816 HG LEU 111 HG LEU 111 10.944 -7.225 -7.225 817 1HD1 LEU 111 HD13 LEU 111 12.727 -5.142 -5.142 818 2HD1 LEU 111 HD12 LEU 111 11.908 -4.939 -4.939 819 3HD1 LEU 111 HD11 LEU 111 12.703 -6.465 -6.465 820 1HD2 LEU 111 HD23 LEU 111 8.857 -5.465 -5.465 821 2HD2 LEU 111 HD22 LEU 111 9.349 -6.816 -6.816 822 3HD2 LEU 111 HD21 LEU 111 9.969 -5.197 -5.197 823 HA PRO 112 HA PRO 112 6.932 -4.163 -4.163 824 1HB PRO 112 HB2 PRO 112 6.835 -1.989 -1.989 825 2HB PRO 112 HB1 PRO 112 5.541 -2.641 -2.641 826 1HG PRO 112 HG1 PRO 112 5.706 -3.293 -3.293 827 2HG PRO 112 HG2 PRO 112 5.233 -4.496 -4.496 828 1HD PRO 112 HD2 PRO 112 7.824 -4.170 -4.170 829 2HD PRO 112 HD1 PRO 112 7.009 -5.652 -5.652 830 H ILE 113 HN ILE 113 9.538 -2.787 -2.787 831 HA ILE 113 HA ILE 113 10.085 -0.587 -0.587 832 HB ILE 113 HB ILE 113 10.898 -0.450 -0.450 833 1HG1 ILE 113 HG12 ILE 113 13.170 -0.891 -0.891 834 2HG1 ILE 113 HG11 ILE 113 12.347 0.629 0.629 835 1HG2 ILE 113 HG21 ILE 113 11.383 -3.183 -3.183 836 2HG2 ILE 113 HG23 ILE 113 12.966 -2.453 -2.453 837 3HG2 ILE 113 HG22 ILE 113 11.668 -2.188 -2.188 838 1HD1 ILE 113 HD12 ILE 113 13.342 -0.369 -0.369 839 2HD1 ILE 113 HD11 ILE 113 14.634 -0.472 -0.472 840 3HD1 ILE 113 HD13 ILE 113 13.839 1.072 1.072 841 H HIS 114 HN HIS 114 11.279 -3.895 -3.895 842 HA HIS 114 HA HIS 114 13.449 -3.769 -3.769 843 1HB HIS 114 HB1 HIS 114 11.456 -5.978 -5.978 844 2HB HIS 114 HB2 HIS 114 12.879 -6.196 -6.196 845 HD2 HIS 114 HD2 HIS 114 15.338 -5.418 -5.418 846 HE1 HIS 114 HE1 HIS 114 13.577 -7.000 -7.000 847 HE2 HIS 114 HE2 HIS 114 15.759 -6.394 -6.394 848 H LEU 115 HN LEU 115 10.017 -4.044 -4.044 849 HA LEU 115 HA LEU 115 10.324 -4.487 -4.487 850 1HB LEU 115 HB2 LEU 115 7.954 -3.027 -3.027 851 2HB LEU 115 HB1 LEU 115 8.030 -4.283 -4.283 852 HG LEU 115 HG LEU 115 8.179 -4.613 -4.613 853 1HD1 LEU 115 HD12 LEU 115 5.949 -4.398 -4.398 854 2HD1 LEU 115 HD11 LEU 115 6.321 -5.827 -5.827 855 3HD1 LEU 115 HD13 LEU 115 6.209 -5.951 -5.951 856 1HD2 LEU 115 HD22 LEU 115 9.310 -6.273 -6.273 857 2HD2 LEU 115 HD21 LEU 115 9.563 -6.323 -6.323 858 3HD2 LEU 115 HD23 LEU 115 8.172 -7.140 -7.140 859 H ALA 116 HN ALA 116 9.424 -1.515 -1.515 860 HA ALA 116 HA ALA 116 9.465 0.230 0.230 861 1HB ALA 116 HB2 ALA 116 8.713 0.713 0.713 862 2HB ALA 116 HB1 ALA 116 10.411 0.971 0.971 863 3HB ALA 116 HB3 ALA 116 9.619 2.001 2.001 864 H ILE 117 HN ILE 117 12.089 -1.206 -1.206 865 HA ILE 117 HA ILE 117 14.156 0.551 0.551 866 HB ILE 117 HB ILE 117 14.218 -2.347 -2.347 867 1HG1 ILE 117 HG12 ILE 117 13.603 -0.354 -0.354 868 2HG1 ILE 117 HG11 ILE 117 14.736 -1.587 -1.587 869 1HG2 ILE 117 HG22 ILE 117 16.395 -0.555 -0.555 870 2HG2 ILE 117 HG21 ILE 117 16.732 -1.653 -1.653 871 3HG2 ILE 117 HG23 ILE 117 16.188 -2.294 -2.294 872 1HD1 ILE 117 HD13 ILE 117 15.987 0.672 0.672 873 2HD1 ILE 117 HD12 ILE 117 15.161 1.084 1.084 874 3HD1 ILE 117 HD11 ILE 117 16.430 -0.140 -0.140 875 H ARG 118 HN ARG 118 12.802 -2.366 -2.366 876 HA ARG 118 HA ARG 118 14.727 -2.521 -2.521 877 1HB ARG 118 HB1 ARG 118 12.031 -3.661 -3.661 878 2HB ARG 118 HB2 ARG 118 13.614 -4.394 -4.394 879 1HG ARG 118 HG2 ARG 118 13.482 -4.127 -4.127 880 2HG ARG 118 HG1 ARG 118 11.805 -4.474 -4.474 881 1HD ARG 118 HD1 ARG 118 13.195 -6.266 -6.266 882 2HD ARG 118 HD2 ARG 118 14.156 -6.205 -6.205 883 HE ARG 118 HE ARG 118 12.543 -7.490 -7.490 884 1HH1 ARG 118 HH11 ARG 118 11.053 -5.514 -5.514 885 2HH1 ARG 118 HH12 ARG 118 9.464 -6.150 -6.150 886 1HH2 ARG 118 HH21 ARG 118 10.456 -8.336 -8.336 887 2HH2 ARG 118 HH22 ARG 118 9.124 -7.754 -7.754 888 H GLU 119 HN GLU 119 11.990 -0.578 -0.578 889 HA GLU 119 HA GLU 119 11.551 0.022 0.022 890 1HB GLU 119 HB1 GLU 119 10.231 1.336 1.336 891 2HB GLU 119 HB2 GLU 119 9.660 1.291 1.291 892 1HG GLU 119 HG2 GLU 119 9.894 -1.096 -1.096 893 2HG GLU 119 HG1 GLU 119 8.407 -0.211 -0.211 894 H GLY 120 HN GLY 120 12.357 1.858 1.858 895 1HA GLY 120 HA2 GLY 120 13.975 3.538 3.538 896 2HA GLY 120 HA1 GLY 120 14.183 3.510 3.510 897 H HIS 121 HN HIS 121 11.273 3.954 3.954 898 HA HIS 121 HA HIS 121 10.422 6.156 6.156 899 1HB HIS 121 HB2 HIS 121 9.284 4.977 4.977 900 2HB HIS 121 HB1 HIS 121 8.501 6.234 6.234 901 HD2 HIS 121 HD2 HIS 121 8.712 2.460 2.460 902 HE1 HIS 121 HE1 HIS 121 6.974 3.413 3.413 903 HE2 HIS 121 HE2 HIS 121 7.608 1.535 1.535 904 H SER 122 HN SER 122 12.759 6.058 6.058 905 HA SER 122 HA SER 122 13.913 7.665 7.665 906 1HB SER 122 HB2 SER 122 13.423 9.191 9.191 907 2HB SER 122 HB1 SER 122 11.817 9.512 9.512 908 HG SER 122 HG SER 122 12.988 10.286 10.286 909 H SER 123 HN SER 123 10.986 9.497 9.497 910 HA SER 123 HA SER 123 11.214 9.667 9.667 911 1HB SER 123 HB2 SER 123 9.548 10.760 10.760 912 2HB SER 123 HB1 SER 123 8.441 9.659 9.659 913 HG SER 123 HG SER 123 9.825 11.879 11.879 914 H VAL 124 HN VAL 124 8.979 7.538 7.538 915 HA VAL 124 HA VAL 124 7.913 6.181 6.181 916 HB VAL 124 HB VAL 124 8.398 4.354 4.354 917 1HG1 VAL 124 HG23 VAL 124 6.307 5.162 5.162 918 2HG1 VAL 124 HG22 VAL 124 5.703 4.980 4.980 919 3HG1 VAL 124 HG21 VAL 124 6.528 3.636 3.636 920 1HG2 VAL 124 HG11 VAL 124 8.535 6.453 6.453 921 2HG2 VAL 124 HG13 VAL 124 7.097 5.520 5.520 922 3HG2 VAL 124 HG12 VAL 124 6.967 6.932 6.932 923 H VAL 125 HN VAL 125 10.572 4.948 4.948 924 HA VAL 125 HA VAL 125 11.274 2.776 2.776 925 HB VAL 125 HB VAL 125 13.339 4.452 4.452 926 1HG1 VAL 125 HG13 VAL 125 14.038 2.460 2.460 927 2HG1 VAL 125 HG12 VAL 125 13.053 1.463 1.463 928 3HG1 VAL 125 HG11 VAL 125 14.431 2.355 2.355 929 1HG2 VAL 125 HG21 VAL 125 11.211 2.703 2.703 930 2HG2 VAL 125 HG23 VAL 125 11.629 4.366 4.366 931 3HG2 VAL 125 HG22 VAL 125 12.725 3.050 3.050 932 H SER 126 HN SER 126 12.415 6.121 6.121 933 HA SER 126 HA SER 126 14.213 5.606 5.606 934 1HB SER 126 HB1 SER 126 14.683 7.498 7.498 935 2HB SER 126 HB2 SER 126 13.055 8.141 8.141 936 HG SER 126 HG SER 126 13.545 8.572 8.572 937 H PHE 127 HN PHE 127 10.867 6.474 6.474 938 HA PHE 127 HA PHE 127 10.563 7.293 7.293 939 1HB PHE 127 HB2 PHE 127 8.999 8.113 8.113 940 2HB PHE 127 HB1 PHE 127 8.553 6.474 6.474 941 HD1 PHE 127 HD2 PHE 127 8.626 8.658 8.658 942 HD2 PHE 127 HD1 PHE 127 6.621 5.582 5.582 943 HE1 PHE 127 HE2 PHE 127 6.801 8.686 8.686 944 HE2 PHE 127 HE1 PHE 127 4.791 5.604 5.604 945 HZ PHE 127 HZ PHE 127 4.880 7.159 7.159 946 H LEU 128 HN LEU 128 9.968 4.293 4.293 947 HA LEU 128 HA LEU 128 8.800 2.882 2.882 948 1HB LEU 128 HB2 LEU 128 9.438 2.385 2.385 949 2HB LEU 128 HB1 LEU 128 10.184 1.107 1.107 950 HG LEU 128 HG LEU 128 7.862 0.625 0.625 951 1HD1 LEU 128 HD11 LEU 128 8.818 0.345 0.345 952 2HD1 LEU 128 HD13 LEU 128 7.109 0.009 0.009 953 3HD1 LEU 128 HD12 LEU 128 8.339 -0.886 -0.886 954 1HD2 LEU 128 HD21 LEU 128 7.042 2.962 2.962 955 2HD2 LEU 128 HD23 LEU 128 5.977 1.641 1.641 956 3HD2 LEU 128 HD22 LEU 128 6.960 2.462 2.462 957 H ALA 129 HN ALA 129 11.921 3.982 3.982 958 HA ALA 129 HA ALA 129 13.454 1.832 1.832 959 1HB ALA 129 HB1 ALA 129 13.842 4.727 4.727 960 2HB ALA 129 HB3 ALA 129 14.865 3.965 3.965 961 3HB ALA 129 HB2 ALA 129 14.880 3.375 3.375 962 HA PRO 130 HA PRO 130 13.142 3.721 3.721 963 1HB PRO 130 HB1 PRO 130 11.545 5.901 5.901 964 2HB PRO 130 HB2 PRO 130 13.263 6.010 6.010 965 1HG PRO 130 HG1 PRO 130 10.887 6.236 6.236 966 2HG PRO 130 HG2 PRO 130 12.362 7.218 7.218 967 1HD PRO 130 HD2 PRO 130 11.988 5.244 5.244 968 2HD PRO 130 HD1 PRO 130 13.591 5.636 5.636 969 H GLU 131 HN GLU 131 10.187 4.093 4.093 970 HA GLU 131 HA GLU 131 8.349 3.477 3.477 971 1HB GLU 131 HB1 GLU 131 8.035 2.909 2.909 972 2HB GLU 131 HB2 GLU 131 6.745 3.106 3.106 973 1HG GLU 131 HG2 GLU 131 8.703 5.282 5.282 974 2HG GLU 131 HG1 GLU 131 7.157 5.068 5.068 975 H SER 132 HN SER 132 10.495 1.494 1.494 976 HA SER 132 HA SER 132 9.142 -0.925 -0.925 977 1HB SER 132 HB1 SER 132 10.923 -0.510 -0.510 978 2HB SER 132 HB2 SER 132 10.496 -2.109 -2.109 979 HG SER 132 HG SER 132 8.311 -0.532 -0.532 980 H ASP 133 HN ASP 133 10.360 -2.537 -2.537 981 HA ASP 133 HA ASP 133 12.162 -1.946 -1.946 982 1HB ASP 133 HB2 ASP 133 11.524 -4.377 -4.377 983 2HB ASP 133 HB1 ASP 133 13.172 -4.375 -4.375 984 H LEU 134 HN LEU 134 13.936 -0.739 -0.739 985 HA LEU 134 HA LEU 134 15.564 -0.613 -0.613 986 1HB LEU 134 HB1 LEU 134 15.354 0.822 0.822 987 2HB LEU 134 HB2 LEU 134 16.974 0.721 0.721 988 HG LEU 134 HG LEU 134 14.559 2.050 2.050 989 1HD1 LEU 134 HD12 LEU 134 16.662 2.975 2.975 990 2HD1 LEU 134 HD11 LEU 134 17.134 3.378 3.378 991 3HD1 LEU 134 HD13 LEU 134 15.596 3.953 3.953 992 1HD2 LEU 134 HD22 LEU 134 16.764 0.742 0.742 993 2HD2 LEU 134 HD21 LEU 134 15.199 1.290 1.290 994 3HD2 LEU 134 HD23 LEU 134 16.532 2.434 2.434 995 H HIS 135 HN HIS 135 15.879 -3.081 -3.081 996 HA HIS 135 HA HIS 135 18.497 -3.691 -3.691 997 1HB HIS 135 HB2 HIS 135 18.460 -4.867 -4.867 998 2HB HIS 135 HB1 HIS 135 18.605 -3.113 -3.113 999 HD2 HIS 135 HD2 HIS 135 15.841 -5.818 -5.818 1000 HE1 HIS 135 HE1 HIS 135 14.837 -2.185 -2.185 1001 HE2 HIS 135 HE2 HIS 135 14.302 -4.657 -4.657 1002 H HIS 136 HN HIS 136 15.232 -4.812 -4.812 1003 HA HIS 136 HA HIS 136 15.529 -7.539 -7.539 1004 1HB HIS 136 HB2 HIS 136 13.388 -6.237 -6.237 1005 2HB HIS 136 HB1 HIS 136 13.302 -6.077 -6.077 1006 HD2 HIS 136 HD2 HIS 136 11.729 -7.937 -7.937 1007 HE1 HIS 136 HE1 HIS 136 12.378 -10.959 -10.959 1008 HE2 HIS 136 HE2 HIS 136 11.285 -10.403 -10.403 1009 H ARG 137 HN ARG 137 15.657 -9.118 -9.118 1010 HA ARG 137 HA ARG 137 16.602 -8.179 -8.179 1011 1HB ARG 137 HB1 ARG 137 17.586 -10.103 -10.103 1012 2HB ARG 137 HB2 ARG 137 16.887 -11.026 -11.026 1013 1HG ARG 137 HG1 ARG 137 18.341 -10.120 -10.120 1014 2HG ARG 137 HG2 ARG 137 18.741 -8.743 -8.743 1015 1HD ARG 137 HD2 ARG 137 19.578 -11.612 -11.612 1016 2HD ARG 137 HD1 ARG 137 20.612 -10.244 -10.244 1017 HE ARG 137 HE ARG 137 19.628 -9.443 -9.443 1018 1HH1 ARG 137 HH11 ARG 137 20.921 -12.526 -12.526 1019 2HH1 ARG 137 HH12 ARG 137 21.506 -12.926 -12.926 1020 1HH2 ARG 137 HH21 ARG 137 20.395 -9.958 -9.958 1021 2HH2 ARG 137 HH22 ARG 137 21.207 -11.465 -11.465 1022 H ASP 138 HN ASP 138 16.178 -9.985 -9.985 1023 HA ASP 138 HA ASP 138 13.307 -10.643 -10.643 1024 1HB ASP 138 HB2 ASP 138 13.417 -8.923 -8.923 1025 2HB ASP 138 HB1 ASP 138 13.492 -10.379 -10.379 1026 H ALA 139 HN ALA 139 12.647 -12.503 -12.503 1027 HA ALA 139 HA ALA 139 14.128 -14.786 -14.786 1028 1HB ALA 139 HB3 ALA 139 11.908 -14.148 -14.148 1029 2HB ALA 139 HB2 ALA 139 12.694 -15.726 -15.726 1030 3HB ALA 139 HB1 ALA 139 11.900 -15.192 -15.192 1031 H SER 140 HN SER 140 14.473 -12.419 -12.419 1032 HA SER 140 HA SER 140 15.892 -13.996 -13.996 1033 1HB SER 140 HB2 SER 140 15.113 -11.194 -11.194 1034 2HB SER 140 HB1 SER 140 16.646 -11.418 -11.418 1035 HG SER 140 HG SER 140 15.470 -12.951 -12.951 1036 H GLY 141 HN GLY 141 16.955 -11.396 -11.396 1037 1HA GLY 141 HA2 GLY 141 18.893 -12.019 -12.019 1038 2HA GLY 141 HA1 GLY 141 19.633 -12.643 -12.643 1039 H LEU 142 HN LEU 142 17.843 -9.614 -9.614 1040 HA LEU 142 HA LEU 142 20.277 -8.056 -8.056 1041 1HB LEU 142 HB2 LEU 142 18.195 -7.443 -7.443 1042 2HB LEU 142 HB1 LEU 142 19.877 -6.951 -6.951 1043 HG LEU 142 HG LEU 142 20.393 -9.465 -9.465 1044 1HD1 LEU 142 HD21 LEU 142 17.488 -9.395 -9.395 1045 2HD1 LEU 142 HD23 LEU 142 18.270 -10.144 -10.144 1046 3HD1 LEU 142 HD22 LEU 142 18.579 -10.763 -10.763 1047 1HD2 LEU 142 HD11 LEU 142 20.237 -7.332 -7.332 1048 2HD2 LEU 142 HD13 LEU 142 20.830 -8.931 -8.931 1049 3HD2 LEU 142 HD12 LEU 142 19.156 -8.484 -8.484 1050 H THR 143 HN THR 143 20.020 -6.623 -6.623 1051 HA THR 143 HA THR 143 17.392 -5.766 -5.766 1052 HB THR 143 HB THR 143 18.391 -5.164 -5.164 1053 HG1 THR 143 HG1 THR 143 19.983 -3.755 -3.755 1054 1HG2 THR 143 HG23 THR 143 19.649 -7.341 -7.341 1055 2HG2 THR 143 HG22 THR 143 21.015 -6.269 -6.269 1056 3HG2 THR 143 HG21 THR 143 19.901 -6.685 -6.685 1057 HA PRO 144 HA PRO 144 16.953 -1.605 -1.605 1058 1HB PRO 144 HB1 PRO 144 18.565 -0.486 -0.486 1059 2HB PRO 144 HB2 PRO 144 17.023 0.069 0.069 1060 1HG PRO 144 HG2 PRO 144 17.095 -1.328 -1.328 1061 2HG PRO 144 HG1 PRO 144 15.816 -1.608 -1.608 1062 1HD PRO 144 HD2 PRO 144 18.185 -3.275 -3.275 1063 2HD PRO 144 HD1 PRO 144 16.584 -3.771 -3.771 1064 H LEU 145 HN LEU 145 20.186 -1.782 -1.782 1065 HA LEU 145 HA LEU 145 21.398 -0.188 -0.188 1066 1HB LEU 145 HB1 LEU 145 22.297 -1.640 -1.640 1067 2HB LEU 145 HB2 LEU 145 23.508 -1.374 -1.374 1068 HG LEU 145 HG LEU 145 21.906 0.749 0.749 1069 1HD1 LEU 145 HD13 LEU 145 23.915 -0.485 -0.485 1070 2HD1 LEU 145 HD12 LEU 145 24.881 0.503 0.503 1071 3HD1 LEU 145 HD11 LEU 145 23.816 1.274 1.274 1072 1HD2 LEU 145 HD23 LEU 145 23.500 0.808 0.808 1073 2HD2 LEU 145 HD22 LEU 145 22.182 1.852 1.852 1074 3HD2 LEU 145 HD21 LEU 145 23.812 2.102 2.102 1075 H GLU 146 HN GLU 146 21.116 -3.640 -3.640 1076 HA GLU 146 HA GLU 146 22.976 -4.529 -4.529 1077 1HB GLU 146 HB2 GLU 146 21.739 -5.819 -5.819 1078 2HB GLU 146 HB1 GLU 146 20.522 -6.111 -6.111 1079 1HG GLU 146 HG1 GLU 146 22.969 -6.727 -6.727 1080 2HG GLU 146 HG2 GLU 146 23.046 -7.410 -7.410 1081 H LEU 147 HN LEU 147 19.412 -4.658 -4.658 1082 HA LEU 147 HA LEU 147 19.246 -5.264 -5.264 1083 1HB LEU 147 HB2 LEU 147 17.447 -4.687 -4.687 1084 2HB LEU 147 HB1 LEU 147 17.183 -3.387 -3.387 1085 HG LEU 147 HG LEU 147 16.761 -6.331 -6.331 1086 1HD1 LEU 147 HD12 LEU 147 15.140 -3.972 -3.972 1087 2HD1 LEU 147 HD11 LEU 147 14.810 -4.789 -4.789 1088 3HD1 LEU 147 HD13 LEU 147 14.658 -5.669 -5.669 1089 1HD2 LEU 147 HD23 LEU 147 17.213 -4.298 -4.298 1090 2HD2 LEU 147 HD22 LEU 147 18.111 -5.790 -5.790 1091 3HD2 LEU 147 HD21 LEU 147 16.433 -5.859 -5.859 1092 H ALA 148 HN ALA 148 19.350 -2.064 -2.064 1093 HA ALA 148 HA ALA 148 19.066 -0.504 -0.504 1094 1HB ALA 148 HB3 ALA 148 19.059 0.309 0.309 1095 2HB ALA 148 HB2 ALA 148 20.819 0.195 0.195 1096 3HB ALA 148 HB1 ALA 148 19.991 1.300 1.300 1097 H ARG 149 HN ARG 149 21.840 -2.208 -2.208 1098 HA ARG 149 HA ARG 149 23.821 -0.987 -0.987 1099 1HB ARG 149 HB1 ARG 149 23.941 -2.671 -2.671 1100 2HB ARG 149 HB2 ARG 149 24.120 -3.843 -3.843 1101 1HG ARG 149 HG1 ARG 149 25.829 -1.395 -1.395 1102 2HG ARG 149 HG2 ARG 149 26.223 -2.779 -2.779 1103 1HD ARG 149 HD1 ARG 149 26.703 -4.138 -4.138 1104 2HD ARG 149 HD2 ARG 149 25.639 -3.257 -3.257 1105 HE ARG 149 HE ARG 149 27.425 -1.983 -1.983 1106 1HH1 ARG 149 HH11 ARG 149 28.071 -3.376 -3.376 1107 2HH1 ARG 149 HH12 ARG 149 29.688 -2.760 -2.760 1108 1HH2 ARG 149 HH21 ARG 149 29.554 -1.168 -1.168 1109 2HH2 ARG 149 HH22 ARG 149 30.530 -1.503 -1.503 1110 H GLN 150 HN GLN 150 21.848 -3.903 -3.903 1111 HA GLN 150 HA GLN 150 22.937 -4.786 -4.786 1112 1HB GLN 150 HB2 GLN 150 21.539 -6.304 -6.304 1113 2HB GLN 150 HB1 GLN 150 20.239 -5.130 -5.130 1114 1HG GLN 150 HG1 GLN 150 19.681 -6.840 -6.840 1115 2HG GLN 150 HG2 GLN 150 19.839 -5.268 -5.268 1116 1HE2 GLN 150 HE22 GLN 150 22.956 -7.861 -7.861 1117 2HE2 GLN 150 HE21 GLN 150 22.253 -7.655 -7.655 1118 H ARG 151 HN ARG 151 19.773 -3.195 -3.195 1119 HA ARG 151 HA ARG 151 19.733 -2.316 -2.316 1120 1HB ARG 151 HB2 ARG 151 17.819 -2.682 -2.682 1121 2HB ARG 151 HB1 ARG 151 17.927 -0.931 -0.931 1122 1HG ARG 151 HG2 ARG 151 16.300 -1.367 -1.367 1123 2HG ARG 151 HG1 ARG 151 17.738 -1.386 -1.386 1124 1HD ARG 151 HD2 ARG 151 16.717 -3.900 -3.900 1125 2HD ARG 151 HD1 ARG 151 16.014 -3.296 -3.296 1126 HE ARG 151 HE ARG 151 18.645 -4.453 -4.453 1127 1HH1 ARG 151 HH21 ARG 151 16.512 -2.612 -2.612 1128 2HH1 ARG 151 HH22 ARG 151 17.396 -2.949 -2.949 1129 1HH2 ARG 151 HH11 ARG 151 19.817 -4.911 -4.911 1130 2HH2 ARG 151 HH12 ARG 151 19.275 -4.259 -4.259 1131 H GLY 152 HN GLY 152 21.965 -1.326 -1.326 1132 1HA GLY 152 HA1 GLY 152 22.250 1.018 1.018 1133 2HA GLY 152 HA2 GLY 152 23.302 0.520 0.520 1134 H ALA 153 HN ALA 153 19.891 1.535 1.535 1135 HA ALA 153 HA ALA 153 19.977 2.976 2.976 1136 1HB ALA 153 HB3 ALA 153 17.891 2.196 2.196 1137 2HB ALA 153 HB2 ALA 153 18.122 3.339 3.339 1138 3HB ALA 153 HB1 ALA 153 17.839 3.931 3.931 1139 H GLN 154 HN GLN 154 18.682 5.451 5.451 1140 HA GLN 154 HA GLN 154 20.963 7.089 7.089 1141 1HB GLN 154 HB2 GLN 154 19.569 8.887 8.887 1142 2HB GLN 154 HB1 GLN 154 18.569 7.845 7.845 1143 1HG GLN 154 HG2 GLN 154 18.571 7.887 7.887 1144 2HG GLN 154 HG1 GLN 154 17.386 8.673 8.673 1145 1HE2 GLN 154 HE22 GLN 154 17.361 4.621 4.621 1146 2HE2 GLN 154 HE21 GLN 154 18.788 5.538 5.538 1147 H ASN 155 HN ASN 155 20.331 8.621 8.621 1148 HA ASN 155 HA ASN 155 22.239 7.284 7.284 1149 1HB ASN 155 HB1 ASN 155 20.630 9.809 9.809 1150 2HB ASN 155 HB2 ASN 155 21.626 9.201 9.201 1151 1HD2 ASN 155 HD22 ASN 155 23.731 11.572 11.572 1152 2HD2 ASN 155 HD21 ASN 155 22.326 11.568 11.568 1153 H LEU 156 HN LEU 156 20.085 5.525 5.525 1154 HA LEU 156 HA LEU 156 18.241 5.725 5.725 1155 1HB LEU 156 HB2 LEU 156 17.537 3.517 3.517 1156 2HB LEU 156 HB1 LEU 156 17.839 4.371 4.371 1157 HG LEU 156 HG LEU 156 19.791 2.439 2.439 1158 1HD1 LEU 156 HD13 LEU 156 17.441 1.612 1.612 1159 2HD1 LEU 156 HD12 LEU 156 18.209 1.783 1.783 1160 3HD1 LEU 156 HD11 LEU 156 18.916 0.717 0.717 1161 1HD2 LEU 156 HD21 LEU 156 19.656 3.886 3.886 1162 2HD2 LEU 156 HD23 LEU 156 20.953 3.897 3.897 1163 3HD2 LEU 156 HD22 LEU 156 20.647 2.446 2.446 1164 H MET 157 HN MET 157 21.132 3.685 3.685 1165 HA MET 157 HA MET 157 21.077 2.459 2.459 1166 1HB MET 157 HB2 MET 157 23.163 1.659 1.659 1167 2HB MET 157 HB1 MET 157 22.606 2.140 2.140 1168 1HG MET 157 HG2 MET 157 24.696 3.041 3.041 1169 2HG MET 157 HG1 MET 157 23.756 4.404 4.404 1170 1HE MET 157 HE2 MET 157 25.036 1.130 1.130 1171 2HE MET 157 HE1 MET 157 26.280 1.487 1.487 1172 3HE MET 157 HE3 MET 157 24.582 1.442 1.442 1173 H ASP 158 HN ASP 158 22.212 5.605 5.605 1174 HA ASP 158 HA ASP 158 23.532 6.219 6.219 1175 1HB ASP 158 HB1 ASP 158 22.844 8.629 8.629 1176 2HB ASP 158 HB2 ASP 158 23.153 7.474 7.474 1177 H ILE 159 HN ILE 159 20.336 6.876 6.876 1178 HA ILE 159 HA ILE 159 19.379 8.695 8.695 1179 HB ILE 159 HB ILE 159 17.975 6.470 6.470 1180 1HG1 ILE 159 HG12 ILE 159 17.457 9.346 9.346 1181 2HG1 ILE 159 HG11 ILE 159 19.034 8.732 8.732 1182 1HG2 ILE 159 HG23 ILE 159 17.012 7.964 7.964 1183 2HG2 ILE 159 HG22 ILE 159 16.134 8.457 8.457 1184 3HG2 ILE 159 HG21 ILE 159 16.174 6.759 6.759 1185 1HD1 ILE 159 HD12 ILE 159 16.982 6.925 6.925 1186 2HD1 ILE 159 HD11 ILE 159 16.624 8.562 8.562 1187 3HD1 ILE 159 HD13 ILE 159 18.164 7.811 7.811 1188 H LEU 160 HN LEU 160 19.256 5.141 5.141 1189 HA LEU 160 HA LEU 160 18.085 5.125 5.125 1190 1HB LEU 160 HB1 LEU 160 19.523 2.708 2.708 1191 2HB LEU 160 HB2 LEU 160 17.861 2.912 2.912 1192 HG LEU 160 HG LEU 160 18.987 3.287 3.287 1193 1HD1 LEU 160 HD13 LEU 160 17.271 1.296 1.296 1194 2HD1 LEU 160 HD12 LEU 160 16.860 1.710 1.710 1195 3HD1 LEU 160 HD11 LEU 160 18.462 1.080 1.080 1196 1HD2 LEU 160 HD23 LEU 160 16.664 4.536 4.536 1197 2HD2 LEU 160 HD22 LEU 160 17.514 4.932 4.932 1198 3HD2 LEU 160 HD21 LEU 160 16.296 3.656 3.656 1199 H GLN 161 HN GLN 161 21.335 4.987 4.987 1200 HA GLN 161 HA GLN 161 22.751 4.035 4.035 1201 1HB GLN 161 HB1 GLN 161 23.355 5.256 5.256 1202 2HB GLN 161 HB2 GLN 161 24.124 6.270 6.270 1203 1HG GLN 161 HG2 GLN 161 24.803 3.759 3.759 1204 2HG GLN 161 HG1 GLN 161 24.805 3.586 3.586 1205 1HE2 GLN 161 HE22 GLN 161 28.183 4.558 4.558 1206 2HE2 GLN 161 HE21 GLN 161 27.132 3.186 3.186 1207 H GLY 162 HN GLY 162 21.897 7.421 7.421 1208 1HA GLY 162 HA2 GLY 162 23.001 8.460 8.460 1209 2HA GLY 162 HA1 GLY 162 21.849 9.280 9.280 1210 H HIS 163 HN HIS 163 19.659 7.650 7.650 1211 HA HIS 163 HA HIS 163 18.463 8.445 8.445 1212 1HB HIS 163 HB2 HIS 163 17.701 6.766 6.766 1213 2HB HIS 163 HB1 HIS 163 16.830 6.436 6.436 1214 HD2 HIS 163 HD2 HIS 163 14.788 7.559 7.559 1215 HE1 HIS 163 HE1 HIS 163 15.795 11.453 11.453 1216 HE2 HIS 163 HE2 HIS 163 14.161 10.076 10.076 1217 H MET 164 HN MET 164 19.615 5.245 5.245 1218 HA MET 164 HA MET 164 18.923 3.849 3.849 1219 1HB MET 164 HB2 MET 164 19.572 2.764 2.764 1220 2HB MET 164 HB1 MET 164 21.225 3.313 3.313 1221 1HG MET 164 HG1 MET 164 21.650 1.451 1.451 1222 2HG MET 164 HG2 MET 164 20.506 1.956 1.956 1223 1HE MET 164 HE2 MET 164 21.602 -0.226 -0.226 1224 2HE MET 164 HE1 MET 164 20.465 -1.573 -1.573 1225 3HE MET 164 HE3 MET 164 20.260 -0.261 -0.261 1226 H MET 165 HN MET 165 21.599 5.946 5.946 1227 HA MET 165 HA MET 165 23.258 6.811 6.811 1228 1HB MET 165 HB1 MET 165 21.520 7.330 7.330 1229 2HB MET 165 HB2 MET 165 21.552 5.686 5.686 1230 1HG MET 165 HG2 MET 165 22.778 6.764 6.764 1231 2HG MET 165 HG1 MET 165 24.059 6.247 6.247 1232 1HE MET 165 HE3 MET 165 25.217 7.962 7.962 1233 2HE MET 165 HE2 MET 165 25.298 9.693 9.693 1234 3HE MET 165 HE1 MET 165 23.946 9.031 9.031 1235 H ILE 166 HN ILE 166 25.272 6.188 6.188 1236 HA ILE 166 HA ILE 166 25.685 3.451 3.451 1237 HB ILE 166 HB ILE 166 27.192 4.571 4.571 1238 1HG1 ILE 166 HG12 ILE 166 25.974 2.333 2.333 1239 2HG1 ILE 166 HG11 ILE 166 24.759 2.902 2.902 1240 1HG2 ILE 166 HG22 ILE 166 28.205 2.874 2.874 1241 2HG2 ILE 166 HG21 ILE 166 27.277 1.713 1.713 1242 3HG2 ILE 166 HG23 ILE 166 28.507 2.705 2.705 1243 1HD1 ILE 166 HD12 ILE 166 25.922 4.518 4.518 1244 2HD1 ILE 166 HD11 ILE 166 24.350 3.716 3.716 1245 3HD1 ILE 166 HD13 ILE 166 24.661 5.039 5.039 1246 HA PRO 167 HA PRO 167 28.042 6.234 6.234 1247 1HB PRO 167 HB2 PRO 167 28.626 3.491 3.491 1248 2HB PRO 167 HB1 PRO 167 28.225 4.965 4.965 1249 1HG PRO 167 HG1 PRO 167 26.396 3.065 3.065 1250 2HG PRO 167 HG2 PRO 167 25.959 4.781 4.781 1251 1HD PRO 167 HD1 PRO 167 26.268 2.802 2.802 1252 2HD PRO 167 HD2 PRO 167 25.199 4.214 4.214 1253 H MET 168 HN MET 168 30.198 6.725 6.725 1254 HA MET 168 HA MET 168 31.955 5.180 5.180 1255 1HB MET 168 HB1 MET 168 32.532 7.914 7.914 1256 2HB MET 168 HB2 MET 168 33.256 7.141 7.141 1257 1HG MET 168 HG2 MET 168 31.390 7.511 7.511 1258 2HG MET 168 HG1 MET 168 30.333 7.762 7.762 1259 1HE MET 168 HE1 MET 168 29.361 9.662 9.662 1260 2HE MET 168 HE3 MET 168 30.114 11.239 11.239 1261 3HE MET 168 HE2 MET 168 30.559 9.883 9.883 Start of MODEL 19 1 1H GLY 1 HT3 GLY 1 -39.344 -10.148 -10.148 2 2H GLY 1 HT2 GLY 1 -38.564 -10.054 -10.054 3 3H GLY 1 HT1 GLY 1 -39.115 -8.645 -8.645 4 1HA GLY 1 HA1 GLY 1 -37.516 -8.830 -8.830 5 2HA GLY 1 HA2 GLY 1 -36.687 -8.949 -8.949 6 H SER 2 HN SER 2 -35.018 -10.280 -10.280 7 HA SER 2 HA SER 2 -35.521 -13.042 -13.042 8 1HB SER 2 HB2 SER 2 -33.857 -11.430 -11.430 9 2HB SER 2 HB1 SER 2 -34.030 -13.186 -13.186 10 HG SER 2 HG SER 2 -36.458 -12.338 -12.338 11 H MET 3 HN MET 3 -32.752 -10.804 -10.804 12 HA MET 3 HA MET 3 -30.829 -12.477 -12.477 13 1HB MET 3 HB2 MET 3 -31.116 -9.539 -9.539 14 2HB MET 3 HB1 MET 3 -29.880 -10.102 -10.102 15 1HG MET 3 HG2 MET 3 -28.524 -10.699 -10.699 16 2HG MET 3 HG1 MET 3 -29.812 -11.542 -11.542 17 1HE MET 3 HE1 MET 3 -27.247 -9.582 -9.582 18 2HE MET 3 HE3 MET 3 -27.567 -8.561 -8.561 19 3HE MET 3 HE2 MET 3 -27.742 -7.904 -7.904 20 H LEU 4 HN LEU 4 -31.055 -13.561 -13.561 21 HA LEU 4 HA LEU 4 -31.862 -12.040 -12.040 22 1HB LEU 4 HB2 LEU 4 -32.780 -14.585 -14.585 23 2HB LEU 4 HB1 LEU 4 -32.219 -14.733 -14.733 24 HG LEU 4 HG LEU 4 -33.794 -12.510 -12.510 25 1HD1 LEU 4 HD13 LEU 4 -34.453 -12.958 -12.958 26 2HD1 LEU 4 HD12 LEU 4 -35.299 -14.382 -14.382 27 3HD1 LEU 4 HD11 LEU 4 -35.769 -12.776 -12.776 28 1HD2 LEU 4 HD21 LEU 4 -34.443 -15.419 -15.419 29 2HD2 LEU 4 HD23 LEU 4 -33.904 -14.244 -14.244 30 3HD2 LEU 4 HD22 LEU 4 -35.520 -14.115 -14.115 31 H LEU 5 HN LEU 5 -30.026 -14.925 -14.925 32 HA LEU 5 HA LEU 5 -28.519 -15.169 -15.169 33 1HB LEU 5 HB2 LEU 5 -27.545 -15.967 -15.967 34 2HB LEU 5 HB1 LEU 5 -27.153 -16.701 -16.701 35 HG LEU 5 HG LEU 5 -29.737 -16.895 -16.895 36 1HD1 LEU 5 HD13 LEU 5 -27.434 -18.467 -18.467 37 2HD1 LEU 5 HD12 LEU 5 -28.617 -19.329 -19.329 38 3HD1 LEU 5 HD11 LEU 5 -29.002 -18.897 -18.897 39 1HD2 LEU 5 HD23 LEU 5 -30.182 -16.483 -16.483 40 2HD2 LEU 5 HD22 LEU 5 -30.702 -18.077 -18.077 41 3HD2 LEU 5 HD21 LEU 5 -29.216 -17.909 -17.909 42 H GLU 6 HN GLU 6 -25.859 -15.330 -15.330 43 HA GLU 6 HA GLU 6 -23.979 -14.069 -14.069 44 1HB GLU 6 HB2 GLU 6 -25.497 -13.207 -13.207 45 2HB GLU 6 HB1 GLU 6 -25.559 -11.740 -11.740 46 1HG GLU 6 HG1 GLU 6 -23.220 -13.020 -13.020 47 2HG GLU 6 HG2 GLU 6 -23.790 -11.354 -11.354 48 H GLU 7 HN GLU 7 -22.802 -12.352 -12.352 49 HA GLU 7 HA GLU 7 -24.299 -10.857 -10.857 50 1HB GLU 7 HB1 GLU 7 -21.891 -12.609 -12.609 51 2HB GLU 7 HB2 GLU 7 -22.199 -11.263 -11.263 52 1HG GLU 7 HG2 GLU 7 -24.270 -13.358 -13.358 53 2HG GLU 7 HG1 GLU 7 -23.035 -13.563 -13.563 54 H VAL 8 HN VAL 8 -23.396 -9.919 -9.919 55 HA VAL 8 HA VAL 8 -21.128 -8.193 -8.193 56 HB VAL 8 HB VAL 8 -22.270 -8.693 -8.693 57 1HG1 VAL 8 HG13 VAL 8 -20.839 -6.555 -6.555 58 2HG1 VAL 8 HG12 VAL 8 -19.531 -7.668 -7.668 59 3HG1 VAL 8 HG11 VAL 8 -20.740 -7.255 -7.255 60 1HG2 VAL 8 HG21 VAL 8 -19.989 -9.968 -9.968 61 2HG2 VAL 8 HG23 VAL 8 -21.328 -10.744 -10.744 62 3HG2 VAL 8 HG22 VAL 8 -20.055 -9.938 -9.938 63 H CYS 9 HN CYS 9 -23.397 -7.442 -7.442 64 HA CYS 9 HA CYS 9 -24.880 -5.547 -5.547 65 1HB CYS 9 HB2 CYS 9 -25.499 -6.947 -6.947 66 2HB CYS 9 HB1 CYS 9 -25.039 -5.409 -5.409 67 HG CYS 9 HG CYS 9 -27.672 -5.924 -5.924 68 H VAL 10 HN VAL 10 -23.602 -3.917 -3.917 69 HA VAL 10 HA VAL 10 -22.717 -1.807 -1.807 70 HB VAL 10 HB VAL 10 -23.873 -1.913 -1.913 71 1HG1 VAL 10 HG22 VAL 10 -21.477 -2.918 -2.918 72 2HG1 VAL 10 HG21 VAL 10 -21.180 -1.197 -1.197 73 3HG1 VAL 10 HG23 VAL 10 -22.514 -1.988 -1.988 74 1HG2 VAL 10 HG12 VAL 10 -23.522 0.071 0.071 75 2HG2 VAL 10 HG11 VAL 10 -23.210 0.396 0.396 76 3HG2 VAL 10 HG13 VAL 10 -21.862 0.179 0.179 77 H GLY 11 HN GLY 11 -21.340 -4.626 -4.626 78 1HA GLY 11 HA1 GLY 11 -18.821 -4.204 -4.204 79 2HA GLY 11 HA2 GLY 11 -19.187 -5.414 -5.414 80 H ASP 12 HN ASP 12 -19.069 -4.776 -4.776 81 HA ASP 12 HA ASP 12 -16.733 -3.363 -3.363 82 1HB ASP 12 HB1 ASP 12 -17.537 -5.026 -5.026 83 2HB ASP 12 HB2 ASP 12 -19.070 -4.181 -4.181 84 H ARG 13 HN ARG 13 -19.820 -2.222 -2.222 85 HA ARG 13 HA ARG 13 -20.014 0.096 0.096 86 1HB ARG 13 HB1 ARG 13 -21.911 -0.701 -0.701 87 2HB ARG 13 HB2 ARG 13 -21.042 -0.498 -0.498 88 1HG ARG 13 HG1 ARG 13 -22.669 1.274 1.274 89 2HG ARG 13 HG2 ARG 13 -21.026 1.920 1.920 90 1HD ARG 13 HD2 ARG 13 -21.270 2.745 2.745 91 2HD ARG 13 HD1 ARG 13 -21.825 1.188 1.188 92 HE ARG 13 HE ARG 13 -24.001 1.909 1.909 93 1HH1 ARG 13 HH21 ARG 13 -21.867 4.142 4.142 94 2HH1 ARG 13 HH22 ARG 13 -23.087 5.350 5.350 95 1HH2 ARG 13 HH11 ARG 13 -25.616 3.494 3.494 96 2HH2 ARG 13 HH12 ARG 13 -25.220 4.981 4.981 97 H LEU 14 HN LEU 14 -19.017 -0.105 -0.105 98 HA LEU 14 HA LEU 14 -17.862 2.504 2.504 99 1HB LEU 14 HB1 LEU 14 -18.758 1.690 1.690 100 2HB LEU 14 HB2 LEU 14 -17.770 0.245 0.245 101 HG LEU 14 HG LEU 14 -17.049 2.008 2.008 102 1HD1 LEU 14 HD11 LEU 14 -15.603 0.215 0.215 103 2HD1 LEU 14 HD13 LEU 14 -14.743 1.713 1.713 104 3HD1 LEU 14 HD12 LEU 14 -14.961 1.198 1.198 105 1HD2 LEU 14 HD21 LEU 14 -16.751 3.511 3.511 106 2HD2 LEU 14 HD23 LEU 14 -17.186 4.078 4.078 107 3HD2 LEU 14 HD22 LEU 14 -15.501 3.724 3.724 108 H SER 15 HN SER 15 -16.441 -0.755 -0.755 109 HA SER 15 HA SER 15 -13.765 0.026 0.026 110 1HB SER 15 HB2 SER 15 -13.248 -2.227 -2.227 111 2HB SER 15 HB1 SER 15 -14.887 -2.308 -2.308 112 HG SER 15 HG SER 15 -15.335 -3.424 -3.424 113 H GLY 16 HN GLY 16 -16.075 -0.393 -0.393 114 1HA GLY 16 HA1 GLY 16 -14.186 -0.487 -0.487 115 2HA GLY 16 HA2 GLY 16 -15.899 -0.133 -0.133 116 H ALA 17 HN ALA 17 -16.143 2.141 2.141 117 HA ALA 17 HA ALA 17 -15.317 4.140 4.140 118 1HB ALA 17 HB2 ALA 17 -16.270 4.385 4.385 119 2HB ALA 17 HB1 ALA 17 -16.118 5.725 5.725 120 3HB ALA 17 HB3 ALA 17 -17.268 4.425 4.425 121 H ALA 18 HN ALA 18 -14.178 3.501 3.501 122 HA ALA 18 HA ALA 18 -12.163 5.403 5.403 123 1HB ALA 18 HB3 ALA 18 -13.108 3.550 3.550 124 2HB ALA 18 HB2 ALA 18 -11.526 2.872 2.872 125 3HB ALA 18 HB1 ALA 18 -11.649 4.508 4.508 126 H ALA 19 HN ALA 19 -12.076 2.095 2.095 127 HA ALA 19 HA ALA 19 -9.289 2.030 2.030 128 1HB ALA 19 HB2 ALA 19 -11.103 0.120 0.120 129 2HB ALA 19 HB1 ALA 19 -11.159 0.406 0.406 130 3HB ALA 19 HB3 ALA 19 -9.640 -0.051 -0.051 131 H ARG 20 HN ARG 20 -12.000 3.317 3.317 132 HA ARG 20 HA ARG 20 -10.712 3.451 3.451 133 1HB ARG 20 HB2 ARG 20 -13.119 4.902 4.902 134 2HB ARG 20 HB1 ARG 20 -12.580 5.020 5.020 135 1HG ARG 20 HG1 ARG 20 -12.818 2.265 2.265 136 2HG ARG 20 HG2 ARG 20 -14.307 3.116 3.116 137 1HD ARG 20 HD1 ARG 20 -14.904 3.022 3.022 138 2HD ARG 20 HD2 ARG 20 -13.543 4.075 4.075 139 HE ARG 20 HE ARG 20 -12.627 1.427 1.427 140 1HH1 ARG 20 HH11 ARG 20 -14.590 3.441 3.441 141 2HH1 ARG 20 HH12 ARG 20 -14.258 2.528 2.528 142 1HH2 ARG 20 HH21 ARG 20 -12.182 0.215 0.215 143 2HH2 ARG 20 HH22 ARG 20 -12.889 0.694 0.694 144 H GLY 21 HN GLY 21 -10.758 5.452 5.452 145 1HA GLY 21 HA1 GLY 21 -9.203 7.134 7.134 146 2HA GLY 21 HA2 GLY 21 -8.742 7.173 7.173 147 H ASP 22 HN ASP 22 -11.561 7.896 7.896 148 HA ASP 22 HA ASP 22 -11.839 10.445 10.445 149 1HB ASP 22 HB1 ASP 22 -14.428 9.330 9.330 150 2HB ASP 22 HB2 ASP 22 -13.558 8.288 8.288 151 H VAL 23 HN VAL 23 -11.106 11.620 11.620 152 HA VAL 23 HA VAL 23 -11.676 11.251 11.251 153 HB VAL 23 HB VAL 23 -9.988 12.836 12.836 154 1HG1 VAL 23 HG12 VAL 23 -11.399 13.655 13.655 155 2HG1 VAL 23 HG11 VAL 23 -12.184 14.729 14.729 156 3HG1 VAL 23 HG13 VAL 23 -10.451 14.868 14.868 157 1HG2 VAL 23 HG23 VAL 23 -11.465 13.092 13.092 158 2HG2 VAL 23 HG22 VAL 23 -10.210 14.257 14.257 159 3HG2 VAL 23 HG21 VAL 23 -11.900 14.615 14.615 160 H GLN 24 HN GLN 24 -13.746 12.361 12.361 161 HA GLN 24 HA GLN 24 -15.577 13.811 13.811 162 1HB GLN 24 HB2 GLN 24 -15.181 13.539 13.539 163 2HB GLN 24 HB1 GLN 24 -16.695 12.683 12.683 164 1HG GLN 24 HG1 GLN 24 -16.879 15.072 15.072 165 2HG GLN 24 HG2 GLN 24 -16.193 15.498 15.498 166 1HE2 GLN 24 HE22 GLN 24 -20.066 14.396 14.396 167 2HE2 GLN 24 HE21 GLN 24 -18.969 14.364 14.364 168 H GLU 25 HN GLU 25 -15.685 10.602 10.602 169 HA GLU 25 HA GLU 25 -18.127 9.861 9.861 170 1HB GLU 25 HB2 GLU 25 -16.092 8.020 8.020 171 2HB GLU 25 HB1 GLU 25 -17.805 7.708 7.708 172 1HG GLU 25 HG1 GLU 25 -18.331 8.648 8.648 173 2HG GLU 25 HG2 GLU 25 -17.413 10.102 10.102 174 H VAL 26 HN VAL 26 -14.727 9.415 9.415 175 HA VAL 26 HA VAL 26 -14.884 7.359 7.359 176 HB VAL 26 HB VAL 26 -12.804 8.685 8.685 177 1HG1 VAL 26 HG11 VAL 26 -13.501 10.849 10.849 178 2HG1 VAL 26 HG13 VAL 26 -13.402 10.182 10.182 179 3HG1 VAL 26 HG12 VAL 26 -11.947 10.329 10.329 180 1HG2 VAL 26 HG21 VAL 26 -13.267 6.892 6.892 181 2HG2 VAL 26 HG23 VAL 26 -11.721 7.264 7.264 182 3HG2 VAL 26 HG22 VAL 26 -12.222 8.136 8.136 183 H ARG 27 HN ARG 27 -15.293 10.844 10.844 184 HA ARG 27 HA ARG 27 -15.934 10.475 10.475 185 1HB ARG 27 HB2 ARG 27 -16.660 12.912 12.912 186 2HB ARG 27 HB1 ARG 27 -16.234 12.803 12.803 187 1HG ARG 27 HG1 ARG 27 -13.921 12.127 12.127 188 2HG ARG 27 HG2 ARG 27 -14.415 12.587 12.587 189 1HD ARG 27 HD1 ARG 27 -14.748 14.843 14.843 190 2HD ARG 27 HD2 ARG 27 -14.640 14.451 14.451 191 HE ARG 27 HE ARG 27 -12.221 13.721 13.721 192 1HH1 ARG 27 HH21 ARG 27 -14.087 16.617 16.617 193 2HH1 ARG 27 HH22 ARG 27 -12.700 17.640 17.640 194 1HH2 ARG 27 HH11 ARG 27 -10.383 15.058 15.058 195 2HH2 ARG 27 HH12 ARG 27 -10.593 16.755 16.755 196 H ARG 28 HN ARG 28 -17.862 11.256 11.256 197 HA ARG 28 HA ARG 28 -20.347 11.505 11.505 198 1HB ARG 28 HB1 ARG 28 -19.761 10.258 10.258 199 2HB ARG 28 HB2 ARG 28 -21.296 10.949 10.949 200 1HG ARG 28 HG2 ARG 28 -18.863 12.661 12.661 201 2HG ARG 28 HG1 ARG 28 -19.622 12.308 12.308 202 1HD ARG 28 HD2 ARG 28 -21.099 13.914 13.914 203 2HD ARG 28 HD1 ARG 28 -21.706 12.973 12.973 204 HE ARG 28 HE ARG 28 -19.406 14.438 14.438 205 1HH1 ARG 28 HH11 ARG 28 -22.793 14.824 14.824 206 2HH1 ARG 28 HH12 ARG 28 -22.978 16.227 16.227 207 1HH2 ARG 28 HH21 ARG 28 -19.641 16.286 16.286 208 2HH2 ARG 28 HH22 ARG 28 -21.187 17.057 17.057 209 H LEU 29 HN LEU 29 -18.509 8.631 8.631 210 HA LEU 29 HA LEU 29 -20.661 6.790 6.790 211 1HB LEU 29 HB1 LEU 29 -17.671 6.541 6.541 212 2HB LEU 29 HB2 LEU 29 -18.683 5.167 5.167 213 HG LEU 29 HG LEU 29 -17.852 5.894 5.894 214 1HD1 LEU 29 HD21 LEU 29 -19.041 3.775 3.775 215 2HD1 LEU 29 HD23 LEU 29 -20.367 4.366 4.366 216 3HD1 LEU 29 HD22 LEU 29 -18.822 3.947 3.947 217 1HD2 LEU 29 HD11 LEU 29 -19.491 7.789 7.789 218 2HD2 LEU 29 HD13 LEU 29 -19.714 6.673 6.673 219 3HD2 LEU 29 HD12 LEU 29 -20.775 6.582 6.582 220 H LEU 30 HN LEU 30 -17.736 7.002 7.002 221 HA LEU 30 HA LEU 30 -19.083 5.910 5.910 222 1HB LEU 30 HB1 LEU 30 -16.397 7.272 7.272 223 2HB LEU 30 HB2 LEU 30 -16.986 6.125 6.125 224 HG LEU 30 HG LEU 30 -16.897 5.137 5.137 225 1HD1 LEU 30 HD12 LEU 30 -14.640 6.490 6.490 226 2HD1 LEU 30 HD11 LEU 30 -14.292 4.761 4.761 227 3HD1 LEU 30 HD13 LEU 30 -14.779 5.609 5.609 228 1HD2 LEU 30 HD23 LEU 30 -17.370 3.971 3.971 229 2HD2 LEU 30 HD22 LEU 30 -16.600 3.119 3.119 230 3HD2 LEU 30 HD21 LEU 30 -15.616 3.783 3.783 231 H HIS 31 HN HIS 31 -17.925 9.137 9.137 232 HA HIS 31 HA HIS 31 -18.678 10.328 10.328 233 1HB HIS 31 HB2 HIS 31 -17.212 11.108 11.108 234 2HB HIS 31 HB1 HIS 31 -18.557 12.238 12.238 235 HD2 HIS 31 HD2 HIS 31 -15.266 12.785 12.785 236 HE1 HIS 31 HE1 HIS 31 -17.059 13.590 13.590 237 HE2 HIS 31 HE2 HIS 31 -14.923 13.734 13.734 238 H ARG 32 HN ARG 32 -20.551 9.128 9.128 239 HA ARG 32 HA ARG 32 -22.819 10.760 10.760 240 1HB ARG 32 HB2 ARG 32 -21.579 11.017 11.017 241 2HB ARG 32 HB1 ARG 32 -23.148 10.258 10.258 242 1HG ARG 32 HG1 ARG 32 -22.503 12.957 12.957 243 2HG ARG 32 HG2 ARG 32 -23.629 12.508 12.508 244 1HD ARG 32 HD1 ARG 32 -24.840 11.230 11.230 245 2HD ARG 32 HD2 ARG 32 -23.966 12.374 12.374 246 HE ARG 32 HE ARG 32 -25.522 13.917 13.917 247 1HH1 ARG 32 HH21 ARG 32 -25.247 11.605 11.605 248 2HH1 ARG 32 HH22 ARG 32 -26.461 12.360 12.360 249 1HH2 ARG 32 HH11 ARG 32 -27.124 14.921 14.921 250 2HH2 ARG 32 HH12 ARG 32 -27.529 14.245 14.245 251 H GLU 33 HN GLU 33 -22.400 8.380 8.380 252 HA GLU 33 HA GLU 33 -24.723 6.988 6.988 253 1HB GLU 33 HB2 GLU 33 -22.959 6.694 6.694 254 2HB GLU 33 HB1 GLU 33 -22.134 5.613 5.613 255 1HG GLU 33 HG1 GLU 33 -24.390 4.365 4.365 256 2HG GLU 33 HG2 GLU 33 -24.764 5.252 5.252 257 H LEU 34 HN LEU 34 -21.916 6.943 6.943 258 HA LEU 34 HA LEU 34 -21.448 5.930 5.930 259 1HB LEU 34 HB1 LEU 34 -24.407 5.840 5.840 260 2HB LEU 34 HB2 LEU 34 -23.653 4.783 4.783 261 HG LEU 34 HG LEU 34 -23.383 7.787 7.787 262 1HD1 LEU 34 HD13 LEU 34 -25.090 5.929 5.929 263 2HD1 LEU 34 HD12 LEU 34 -24.331 7.209 7.209 264 3HD1 LEU 34 HD11 LEU 34 -25.350 7.618 7.618 265 1HD2 LEU 34 HD21 LEU 34 -21.794 5.733 5.733 266 2HD2 LEU 34 HD23 LEU 34 -21.383 7.394 7.394 267 3HD2 LEU 34 HD22 LEU 34 -22.335 7.066 7.066 268 H VAL 35 HN VAL 35 -21.274 4.449 4.449 269 HA VAL 35 HA VAL 35 -22.162 1.810 1.810 270 HB VAL 35 HB VAL 35 -21.313 2.556 2.556 271 1HG1 VAL 35 HG11 VAL 35 -18.886 3.266 3.266 272 2HG1 VAL 35 HG13 VAL 35 -18.725 2.897 2.897 273 3HG1 VAL 35 HG12 VAL 35 -19.769 4.218 4.218 274 1HG2 VAL 35 HG21 VAL 35 -20.536 0.175 0.175 275 2HG2 VAL 35 HG23 VAL 35 -20.498 0.554 0.554 276 3HG2 VAL 35 HG22 VAL 35 -19.055 0.792 0.792 277 H HIS 36 HN HIS 36 -21.406 0.013 0.013 278 HA HIS 36 HA HIS 36 -19.682 0.309 0.309 279 1HB HIS 36 HB1 HIS 36 -21.561 -1.559 -1.559 280 2HB HIS 36 HB2 HIS 36 -20.039 -2.443 -2.443 281 HD2 HIS 36 HD2 HIS 36 -22.138 -0.397 -0.397 282 HE1 HIS 36 HE1 HIS 36 -19.700 -3.240 -3.240 283 HE2 HIS 36 HE2 HIS 36 -21.370 -1.356 -1.356 284 HA PRO 37 HA PRO 37 -15.720 -0.351 -0.351 285 1HB PRO 37 HB1 PRO 37 -14.423 -1.471 -1.471 286 2HB PRO 37 HB2 PRO 37 -14.797 0.252 0.252 287 1HG PRO 37 HG1 PRO 37 -16.247 -1.914 -1.914 288 2HG PRO 37 HG2 PRO 37 -15.859 -0.266 -0.266 289 1HD PRO 37 HD2 PRO 37 -18.311 -0.952 -0.952 290 2HD PRO 37 HD1 PRO 37 -17.618 0.659 0.659 291 H ASP 38 HN ASP 38 -17.719 -2.888 -2.888 292 HA ASP 38 HA ASP 38 -15.893 -4.991 -4.991 293 1HB ASP 38 HB2 ASP 38 -17.317 -5.247 -5.247 294 2HB ASP 38 HB1 ASP 38 -17.506 -6.544 -6.544 295 H ALA 39 HN ALA 39 -16.956 -3.043 -3.043 296 HA ALA 39 HA ALA 39 -18.728 -4.694 -4.694 297 1HB ALA 39 HB1 ALA 39 -18.106 -1.801 -1.801 298 2HB ALA 39 HB3 ALA 39 -18.531 -2.465 -2.465 299 3HB ALA 39 HB2 ALA 39 -19.651 -2.621 -2.621 300 H LEU 40 HN LEU 40 -17.393 -6.234 -6.234 301 HA LEU 40 HA LEU 40 -15.057 -5.319 -5.319 302 1HB LEU 40 HB2 LEU 40 -15.732 -8.200 -8.200 303 2HB LEU 40 HB1 LEU 40 -14.167 -7.459 -7.459 304 HG LEU 40 HG LEU 40 -13.993 -7.933 -7.933 305 1HD1 LEU 40 HD23 LEU 40 -14.328 -5.304 -5.304 306 2HD1 LEU 40 HD22 LEU 40 -15.543 -5.543 -5.543 307 3HD1 LEU 40 HD21 LEU 40 -13.856 -5.945 -5.945 308 1HD2 LEU 40 HD13 LEU 40 -16.524 -8.705 -8.705 309 2HD2 LEU 40 HD12 LEU 40 -15.697 -8.472 -8.472 310 3HD2 LEU 40 HD11 LEU 40 -16.762 -7.214 -7.214 311 H ASN 41 HN ASN 41 -14.775 -5.893 -5.893 312 HA ASN 41 HA ASN 41 -16.896 -5.685 -5.685 313 1HB ASN 41 HB2 ASN 41 -15.464 -6.670 -6.670 314 2HB ASN 41 HB1 ASN 41 -14.560 -5.538 -5.538 315 1HD2 ASN 41 HD22 ASN 41 -12.108 -7.849 -7.849 316 2HD2 ASN 41 HD21 ASN 41 -12.597 -6.213 -6.213 317 H ARG 42 HN ARG 42 -15.863 -8.465 -8.465 318 HA ARG 42 HA ARG 42 -18.213 -9.926 -9.926 319 1HB ARG 42 HB2 ARG 42 -15.905 -10.511 -10.511 320 2HB ARG 42 HB1 ARG 42 -15.720 -11.533 -11.533 321 1HG ARG 42 HG2 ARG 42 -18.179 -12.256 -12.256 322 2HG ARG 42 HG1 ARG 42 -17.656 -11.720 -11.720 323 1HD ARG 42 HD1 ARG 42 -15.594 -13.302 -13.302 324 2HD ARG 42 HD2 ARG 42 -17.122 -14.179 -14.179 325 HE ARG 42 HE ARG 42 -15.560 -13.811 -13.811 326 1HH1 ARG 42 HH11 ARG 42 -18.882 -13.681 -13.681 327 2HH1 ARG 42 HH12 ARG 42 -19.518 -14.106 -14.106 328 1HH2 ARG 42 HH21 ARG 42 -16.386 -14.375 -14.375 329 2HH2 ARG 42 HH22 ARG 42 -18.099 -14.501 -14.501 330 H PHE 43 HN PHE 43 -15.295 -10.774 -10.774 331 HA PHE 43 HA PHE 43 -16.327 -10.459 -10.459 332 1HB PHE 43 HB1 PHE 43 -17.009 -12.683 -12.683 333 2HB PHE 43 HB2 PHE 43 -17.943 -12.185 -12.185 334 HD1 PHE 43 HD1 PHE 43 -15.071 -12.728 -12.728 335 HD2 PHE 43 HD2 PHE 43 -17.928 -14.965 -14.965 336 HE1 PHE 43 HE1 PHE 43 -14.398 -14.778 -14.778 337 HE2 PHE 43 HE2 PHE 43 -17.257 -17.018 -17.018 338 HZ PHE 43 HZ PHE 43 -15.491 -16.925 -16.925 339 H GLY 44 HN GLY 44 -13.986 -9.762 -9.762 340 1HA GLY 44 HA1 GLY 44 -12.271 -11.634 -11.634 341 2HA GLY 44 HA2 GLY 44 -11.837 -11.401 -11.401 342 H LYS 45 HN LYS 45 -11.520 -9.090 -9.090 343 HA LYS 45 HA LYS 45 -9.777 -7.817 -7.817 344 1HB LYS 45 HB1 LYS 45 -10.428 -6.836 -6.836 345 2HB LYS 45 HB2 LYS 45 -9.005 -6.475 -6.475 346 1HG LYS 45 HG1 LYS 45 -8.247 -8.770 -8.770 347 2HG LYS 45 HG2 LYS 45 -9.701 -9.180 -9.180 348 1HD LYS 45 HD2 LYS 45 -9.039 -7.927 -7.927 349 2HD LYS 45 HD1 LYS 45 -7.868 -6.992 -6.992 350 1HE LYS 45 HE2 LYS 45 -7.597 -9.951 -9.951 351 2HE LYS 45 HE1 LYS 45 -6.920 -8.747 -8.747 352 1HZ LYS 45 HZ1 LYS 45 -6.284 -8.935 -8.935 353 2HZ LYS 45 HZ3 LYS 45 -5.315 -9.555 -9.555 354 3HZ LYS 45 HZ2 LYS 45 -5.572 -7.888 -7.888 355 H THR 46 HN THR 46 -9.910 -5.608 -5.608 356 HA THR 46 HA THR 46 -12.675 -4.641 -4.641 357 HB THR 46 HB THR 46 -11.850 -3.220 -3.220 358 HG1 THR 46 HG1 THR 46 -9.728 -3.756 -3.756 359 1HG2 THR 46 HG23 THR 46 -12.175 -6.015 -6.015 360 2HG2 THR 46 HG22 THR 46 -10.803 -5.624 -5.624 361 3HG2 THR 46 HG21 THR 46 -12.367 -4.860 -4.860 362 H ALA 47 HN ALA 47 -12.689 -2.098 -2.098 363 HA ALA 47 HA ALA 47 -12.120 -1.010 -1.010 364 1HB ALA 47 HB1 ALA 47 -13.671 -0.197 -0.197 365 2HB ALA 47 HB3 ALA 47 -12.266 0.781 0.781 366 3HB ALA 47 HB2 ALA 47 -13.013 0.950 0.950 367 H LEU 48 HN LEU 48 -10.223 -1.036 -1.036 368 HA LEU 48 HA LEU 48 -8.249 0.811 0.811 369 1HB LEU 48 HB1 LEU 48 -8.898 -0.338 -0.338 370 2HB LEU 48 HB2 LEU 48 -7.376 -1.112 -1.112 371 HG LEU 48 HG LEU 48 -6.246 1.006 1.006 372 1HD1 LEU 48 HD22 LEU 48 -8.923 2.020 2.020 373 2HD1 LEU 48 HD21 LEU 48 -8.064 2.902 2.902 374 3HD1 LEU 48 HD23 LEU 48 -7.372 2.782 2.782 375 1HD2 LEU 48 HD12 LEU 48 -7.160 -0.103 -0.103 376 2HD2 LEU 48 HD11 LEU 48 -6.088 1.296 1.296 377 3HD2 LEU 48 HD13 LEU 48 -7.825 1.524 1.524 378 H GLN 49 HN GLN 49 -8.360 -2.732 -2.732 379 HA GLN 49 HA GLN 49 -5.777 -3.186 -3.186 380 1HB GLN 49 HB2 GLN 49 -7.702 -4.746 -4.746 381 2HB GLN 49 HB1 GLN 49 -7.770 -5.284 -5.284 382 1HG GLN 49 HG2 GLN 49 -5.123 -5.063 -5.063 383 2HG GLN 49 HG1 GLN 49 -6.170 -6.432 -6.432 384 1HE2 GLN 49 HE22 GLN 49 -4.113 -7.673 -7.673 385 2HE2 GLN 49 HE21 GLN 49 -4.034 -7.320 -7.320 386 H VAL 50 HN VAL 50 -8.540 -2.038 -2.038 387 HA VAL 50 HA VAL 50 -7.416 -2.653 -2.653 388 HB VAL 50 HB VAL 50 -9.647 -3.003 -3.003 389 1HG1 VAL 50 HG13 VAL 50 -8.209 -4.859 -4.859 390 2HG1 VAL 50 HG12 VAL 50 -9.491 -4.873 -4.873 391 3HG1 VAL 50 HG11 VAL 50 -9.870 -5.214 -5.214 392 1HG2 VAL 50 HG22 VAL 50 -10.465 -1.967 -1.967 393 2HG2 VAL 50 HG21 VAL 50 -11.415 -2.210 -2.210 394 3HG2 VAL 50 HG23 VAL 50 -11.233 -3.525 -3.525 395 H MET 51 HN MET 51 -7.425 -0.282 -0.282 396 HA MET 51 HA MET 51 -9.137 1.628 1.628 397 1HB MET 51 HB1 MET 51 -8.995 2.120 2.120 398 2HB MET 51 HB2 MET 51 -7.288 1.721 1.721 399 1HG MET 51 HG1 MET 51 -7.990 4.012 4.012 400 2HG MET 51 HG2 MET 51 -8.252 4.225 4.225 401 1HE MET 51 HE3 MET 51 -6.554 2.707 2.707 402 2HE MET 51 HE2 MET 51 -5.019 2.171 2.171 403 3HE MET 51 HE1 MET 51 -5.086 3.642 3.642 404 H MET 52 HN MET 52 -8.396 3.431 3.431 405 HA MET 52 HA MET 52 -5.935 2.935 2.935 406 1HB MET 52 HB2 MET 52 -8.377 3.899 3.899 407 2HB MET 52 HB1 MET 52 -7.451 5.383 5.383 408 1HG MET 52 HG1 MET 52 -5.685 4.198 4.198 409 2HG MET 52 HG2 MET 52 -6.976 3.064 3.064 410 1HE MET 52 HE2 MET 52 -5.367 6.229 6.229 411 2HE MET 52 HE1 MET 52 -5.566 6.442 6.442 412 3HE MET 52 HE3 MET 52 -6.509 7.422 7.422 413 H PHE 53 HN PHE 53 -4.398 3.401 3.401 414 HA PHE 53 HA PHE 53 -4.117 5.397 5.397 415 1HB PHE 53 HB1 PHE 53 -2.013 4.400 4.400 416 2HB PHE 53 HB2 PHE 53 -1.649 5.470 5.470 417 HD1 PHE 53 HD2 PHE 53 -3.086 2.136 2.136 418 HD2 PHE 53 HD1 PHE 53 -1.255 4.613 4.613 419 HE1 PHE 53 HE2 PHE 53 -2.859 0.189 0.189 420 HE2 PHE 53 HE1 PHE 53 -1.027 2.668 2.668 421 HZ PHE 53 HZ PHE 53 -1.831 0.440 0.440 422 H GLY 54 HN GLY 54 -4.047 5.775 5.775 423 1HA GLY 54 HA1 GLY 54 -2.902 8.048 8.048 424 2HA GLY 54 HA2 GLY 54 -4.560 7.748 7.748 425 H SER 55 HN SER 55 -6.079 8.160 8.160 426 HA SER 55 HA SER 55 -5.666 10.994 10.994 427 1HB SER 55 HB2 SER 55 -7.874 10.794 10.794 428 2HB SER 55 HB1 SER 55 -8.006 9.154 9.154 429 HG SER 55 HG SER 55 -8.160 11.611 11.611 430 HA PRO 56 HA PRO 56 -4.116 10.159 10.159 431 1HB PRO 56 HB2 PRO 56 -4.091 12.704 12.704 432 2HB PRO 56 HB1 PRO 56 -2.914 12.104 12.104 433 1HG PRO 56 HG1 PRO 56 -5.397 13.716 13.716 434 2HG PRO 56 HG2 PRO 56 -3.792 13.905 13.905 435 1HD PRO 56 HD1 PRO 56 -5.870 12.670 12.670 436 2HD PRO 56 HD2 PRO 56 -4.170 12.246 12.246 437 H ALA 57 HN ALA 57 -6.877 12.368 12.368 438 HA ALA 57 HA ALA 57 -7.836 12.163 12.163 439 1HB ALA 57 HB3 ALA 57 -8.574 13.530 13.530 440 2HB ALA 57 HB2 ALA 57 -9.981 12.570 12.570 441 3HB ALA 57 HB1 ALA 57 -9.272 13.703 13.703 442 H VAL 58 HN VAL 58 -8.179 10.122 10.122 443 HA VAL 58 HA VAL 58 -10.420 8.631 8.631 444 HB VAL 58 HB VAL 58 -8.148 8.213 8.213 445 1HG1 VAL 58 HG11 VAL 58 -9.885 6.056 6.056 446 2HG1 VAL 58 HG13 VAL 58 -9.406 6.008 6.008 447 3HG1 VAL 58 HG12 VAL 58 -8.176 6.022 6.022 448 1HG2 VAL 58 HG22 VAL 58 -10.741 9.210 9.210 449 2HG2 VAL 58 HG21 VAL 58 -9.653 8.847 8.847 450 3HG2 VAL 58 HG23 VAL 58 -10.807 7.634 7.634 451 H ALA 59 HN ALA 59 -6.973 8.332 8.332 452 HA ALA 59 HA ALA 59 -7.029 5.835 5.835 453 1HB ALA 59 HB2 ALA 59 -5.135 8.103 8.103 454 2HB ALA 59 HB1 ALA 59 -4.928 7.004 7.004 455 3HB ALA 59 HB3 ALA 59 -4.875 6.381 6.381 456 H LEU 60 HN LEU 60 -7.029 9.137 9.137 457 HA LEU 60 HA LEU 60 -7.340 8.406 8.406 458 1HB LEU 60 HB2 LEU 60 -6.676 10.663 10.663 459 2HB LEU 60 HB1 LEU 60 -8.400 10.972 10.972 460 HG LEU 60 HG LEU 60 -7.564 12.013 12.013 461 1HD1 LEU 60 HD22 LEU 60 -9.586 10.542 10.542 462 2HD1 LEU 60 HD21 LEU 60 -8.508 9.342 9.342 463 3HD1 LEU 60 HD23 LEU 60 -8.696 10.921 10.921 464 1HD2 LEU 60 HD11 LEU 60 -5.517 10.168 10.168 465 2HD2 LEU 60 HD13 LEU 60 -5.718 11.394 11.394 466 3HD2 LEU 60 HD12 LEU 60 -6.324 9.759 9.759 467 H GLU 61 HN GLU 61 -9.670 9.118 9.118 468 HA GLU 61 HA GLU 61 -11.977 9.218 9.218 469 1HB GLU 61 HB2 GLU 61 -11.348 9.195 9.195 470 2HB GLU 61 HB1 GLU 61 -12.729 8.156 8.156 471 1HG GLU 61 HG1 GLU 61 -13.404 10.435 10.435 472 2HG GLU 61 HG2 GLU 61 -13.897 9.978 9.978 473 H LEU 62 HN LEU 62 -10.554 6.518 6.518 474 HA LEU 62 HA LEU 62 -12.476 4.603 4.603 475 1HB LEU 62 HB1 LEU 62 -9.666 4.465 4.465 476 2HB LEU 62 HB2 LEU 62 -10.458 3.000 3.000 477 HG LEU 62 HG LEU 62 -11.288 4.791 4.791 478 1HD1 LEU 62 HD13 LEU 62 -9.474 3.158 3.158 479 2HD1 LEU 62 HD12 LEU 62 -10.575 1.865 1.865 480 3HD1 LEU 62 HD11 LEU 62 -10.925 2.842 2.842 481 1HD2 LEU 62 HD21 LEU 62 -12.886 3.000 3.000 482 2HD2 LEU 62 HD23 LEU 62 -13.391 4.221 4.221 483 3HD2 LEU 62 HD22 LEU 62 -12.945 2.607 2.607 484 H LEU 63 HN LEU 63 -9.265 5.290 5.290 485 HA LEU 63 HA LEU 63 -9.392 3.367 3.367 486 1HB LEU 63 HB2 LEU 63 -7.688 5.630 5.630 487 2HB LEU 63 HB1 LEU 63 -7.808 5.382 5.382 488 HG LEU 63 HG LEU 63 -7.355 2.840 2.840 489 1HD1 LEU 63 HD13 LEU 63 -5.530 4.985 4.985 490 2HD1 LEU 63 HD12 LEU 63 -5.172 3.258 3.258 491 3HD1 LEU 63 HD11 LEU 63 -6.549 3.891 3.891 492 1HD2 LEU 63 HD22 LEU 63 -6.510 4.324 4.324 493 2HD2 LEU 63 HD21 LEU 63 -5.935 2.715 2.715 494 3HD2 LEU 63 HD23 LEU 63 -5.042 4.143 4.143 495 H LYS 64 HN LYS 64 -10.846 6.467 6.467 496 HA LYS 64 HA LYS 64 -11.216 7.153 7.153 497 1HB LYS 64 HB1 LYS 64 -11.696 8.432 8.432 498 2HB LYS 64 HB2 LYS 64 -13.327 7.864 7.864 499 1HG LYS 64 HG2 LYS 64 -13.601 9.243 9.243 500 2HG LYS 64 HG1 LYS 64 -11.900 9.166 9.166 501 1HD LYS 64 HD2 LYS 64 -11.463 10.526 10.526 502 2HD LYS 64 HD1 LYS 64 -13.197 10.858 10.858 503 1HE LYS 64 HE2 LYS 64 -12.903 11.678 11.678 504 2HE LYS 64 HE1 LYS 64 -11.161 11.549 11.549 505 1HZ LYS 64 HZ1 LYS 64 -11.785 12.987 12.987 506 2HZ LYS 64 HZ3 LYS 64 -13.057 13.472 13.472 507 3HZ LYS 64 HZ2 LYS 64 -11.453 13.693 13.693 508 H GLN 65 HN GLN 65 -12.679 4.749 4.749 509 HA GLN 65 HA GLN 65 -15.028 4.504 4.504 510 1HB GLN 65 HB1 GLN 65 -14.379 3.784 3.784 511 2HB GLN 65 HB2 GLN 65 -14.772 2.307 2.307 512 1HG GLN 65 HG2 GLN 65 -16.507 4.760 4.760 513 2HG GLN 65 HG1 GLN 65 -16.729 3.264 3.264 514 1HE2 GLN 65 HE22 GLN 65 -19.080 2.741 2.741 515 2HE2 GLN 65 HE21 GLN 65 -18.879 3.452 3.452 516 H GLY 66 HN GLY 66 -12.380 2.351 2.351 517 1HA GLY 66 HA2 GLY 66 -11.209 1.364 1.364 518 2HA GLY 66 HA1 GLY 66 -12.818 0.774 0.774 519 H ALA 67 HN ALA 67 -10.949 0.905 0.905 520 HA ALA 67 HA ALA 67 -11.779 -1.787 -1.787 521 1HB ALA 67 HB3 ALA 67 -10.672 0.487 0.487 522 2HB ALA 67 HB2 ALA 67 -9.929 -1.040 -1.040 523 3HB ALA 67 HB1 ALA 67 -11.677 -0.838 -0.838 524 H SER 68 HN SER 68 -9.200 -0.355 -0.355 525 HA SER 68 HA SER 68 -7.276 -1.173 -1.173 526 1HB SER 68 HB1 SER 68 -8.991 -3.185 -3.185 527 2HB SER 68 HB2 SER 68 -7.897 -3.967 -3.967 528 HG SER 68 HG SER 68 -6.257 -3.797 -3.797 529 HA PRO 69 HA PRO 69 -5.153 -0.843 -0.843 530 1HB PRO 69 HB2 PRO 69 -2.996 -0.378 -0.378 531 2HB PRO 69 HB1 PRO 69 -3.341 0.494 0.494 532 1HG PRO 69 HG2 PRO 69 -4.019 1.530 1.530 533 2HG PRO 69 HG1 PRO 69 -5.085 1.698 1.698 534 1HD PRO 69 HD1 PRO 69 -5.354 -0.069 -0.069 535 2HD PRO 69 HD2 PRO 69 -6.613 0.707 0.707 536 H ASN 70 HN ASN 70 -3.958 -2.500 -2.500 537 HA ASN 70 HA ASN 70 -2.180 -4.214 -4.214 538 1HB ASN 70 HB1 ASN 70 -3.345 -4.762 -4.762 539 2HB ASN 70 HB2 ASN 70 -1.791 -5.288 -5.288 540 1HD2 ASN 70 HD22 ASN 70 -0.823 -1.630 -1.630 541 2HD2 ASN 70 HD21 ASN 70 -1.278 -2.663 -2.663 542 H VAL 71 HN VAL 71 -3.505 -5.077 -5.077 543 HA VAL 71 HA VAL 71 -5.109 -7.364 -7.364 544 HB VAL 71 HB VAL 71 -6.652 -6.909 -6.909 545 1HG1 VAL 71 HG23 VAL 71 -6.604 -5.171 -5.171 546 2HG1 VAL 71 HG22 VAL 71 -7.949 -5.166 -5.166 547 3HG1 VAL 71 HG21 VAL 71 -7.530 -6.647 -6.647 548 1HG2 VAL 71 HG11 VAL 71 -4.913 -5.029 -5.029 549 2HG2 VAL 71 HG13 VAL 71 -6.629 -4.933 -4.933 550 3HG2 VAL 71 HG12 VAL 71 -5.988 -4.033 -4.033 551 H GLN 72 HN GLN 72 -4.670 -9.208 -9.208 552 HA GLN 72 HA GLN 72 -3.397 -9.095 -9.095 553 1HB GLN 72 HB2 GLN 72 -2.287 -10.519 -10.519 554 2HB GLN 72 HB1 GLN 72 -1.785 -10.887 -10.887 555 1HG GLN 72 HG1 GLN 72 -0.663 -8.907 -8.907 556 2HG GLN 72 HG2 GLN 72 -1.652 -8.070 -8.070 557 1HE2 GLN 72 HE22 GLN 72 1.782 -9.901 -9.901 558 2HE2 GLN 72 HE21 GLN 72 1.175 -9.914 -9.914 559 H ASP 73 HN ASP 73 -3.341 -11.249 -11.249 560 HA ASP 73 HA ASP 73 -5.510 -13.001 -13.001 561 1HB ASP 73 HB2 ASP 73 -5.352 -13.126 -13.126 562 2HB ASP 73 HB1 ASP 73 -5.463 -11.431 -11.431 563 H ALA 74 HN ALA 74 -5.362 -14.933 -14.933 564 HA ALA 74 HA ALA 74 -3.431 -16.660 -16.660 565 1HB ALA 74 HB3 ALA 74 -5.407 -17.212 -17.212 566 2HB ALA 74 HB2 ALA 74 -4.460 -16.664 -16.664 567 3HB ALA 74 HB1 ALA 74 -3.911 -18.043 -18.043 568 H SER 75 HN SER 75 -3.052 -14.016 -14.016 569 HA SER 75 HA SER 75 -0.534 -14.958 -14.958 570 1HB SER 75 HB1 SER 75 -0.569 -13.072 -13.072 571 2HB SER 75 HB2 SER 75 -2.278 -13.463 -13.463 572 HG SER 75 HG SER 75 -2.118 -11.310 -11.310 573 H GLY 76 HN GLY 76 -1.669 -12.865 -12.865 574 1HA GLY 76 HA1 GLY 76 -0.496 -12.086 -12.086 575 2HA GLY 76 HA2 GLY 76 0.963 -12.795 -12.795 576 H THR 77 HN THR 77 -1.018 -10.600 -10.600 577 HA THR 77 HA THR 77 1.099 -8.565 -8.565 578 HB THR 77 HB THR 77 -0.727 -8.802 -8.802 579 HG1 THR 77 HG1 THR 77 0.560 -10.264 -10.264 580 1HG2 THR 77 HG21 THR 77 1.558 -7.178 -7.178 581 2HG2 THR 77 HG23 THR 77 1.803 -8.056 -8.056 582 3HG2 THR 77 HG22 THR 77 0.401 -7.002 -7.002 583 H SER 78 HN SER 78 0.488 -6.787 -6.787 584 HA SER 78 HA SER 78 -2.369 -6.106 -6.106 585 1HB SER 78 HB1 SER 78 -2.076 -5.253 -5.253 586 2HB SER 78 HB2 SER 78 -0.765 -6.428 -6.428 587 HG SER 78 HG SER 78 -0.161 -4.281 -4.281 588 HA PRO 79 HA PRO 79 -2.115 -2.121 -2.121 589 1HB PRO 79 HB1 PRO 79 -2.008 -0.655 -0.655 590 2HB PRO 79 HB2 PRO 79 -3.151 -0.495 -0.495 591 1HG PRO 79 HG2 PRO 79 -3.856 -1.706 -1.706 592 2HG PRO 79 HG1 PRO 79 -4.425 -2.299 -2.299 593 1HD PRO 79 HD1 PRO 79 -2.286 -3.383 -3.383 594 2HD PRO 79 HD2 PRO 79 -3.467 -4.247 -4.247 595 H VAL 80 HN VAL 80 -0.041 -2.175 -2.175 596 HA VAL 80 HA VAL 80 1.771 -0.219 -0.219 597 HB VAL 80 HB VAL 80 1.524 -2.052 -2.052 598 1HG1 VAL 80 HG11 VAL 80 3.012 -3.560 -3.560 599 2HG1 VAL 80 HG13 VAL 80 4.315 -2.466 -2.466 600 3HG1 VAL 80 HG12 VAL 80 3.428 -3.360 -3.360 601 1HG2 VAL 80 HG23 VAL 80 2.375 0.363 0.363 602 2HG2 VAL 80 HG22 VAL 80 3.002 -0.685 -0.685 603 3HG2 VAL 80 HG21 VAL 80 3.973 -0.363 -0.363 604 H HIS 81 HN HIS 81 1.501 -3.474 -3.474 605 HA HIS 81 HA HIS 81 4.092 -3.600 -3.600 606 1HB HIS 81 HB1 HIS 81 1.579 -5.209 -5.209 607 2HB HIS 81 HB2 HIS 81 2.851 -5.445 -5.445 608 HD2 HIS 81 HD2 HIS 81 5.441 -5.394 -5.394 609 HE1 HIS 81 HE1 HIS 81 3.401 -8.477 -8.477 610 HE2 HIS 81 HE2 HIS 81 5.667 -7.457 -7.457 611 H ASP 82 HN ASP 82 0.930 -3.519 -3.519 612 HA ASP 82 HA ASP 82 1.967 -2.742 -2.742 613 1HB ASP 82 HB2 ASP 82 -0.492 -1.955 -1.955 614 2HB ASP 82 HB1 ASP 82 -0.774 -2.672 -2.672 615 H ALA 83 HN ALA 83 1.152 -0.897 -0.897 616 HA ALA 83 HA ALA 83 0.690 1.621 1.621 617 1HB ALA 83 HB2 ALA 83 0.385 1.028 1.028 618 2HB ALA 83 HB1 ALA 83 2.136 1.023 1.023 619 3HB ALA 83 HB3 ALA 83 1.300 2.518 2.518 620 H ALA 84 HN ALA 84 3.792 0.274 0.274 621 HA ALA 84 HA ALA 84 5.305 2.498 2.498 622 1HB ALA 84 HB1 ALA 84 5.896 -0.100 -0.100 623 2HB ALA 84 HB3 ALA 84 7.194 0.640 0.640 624 3HB ALA 84 HB2 ALA 84 6.461 1.521 1.521 625 H ARG 85 HN ARG 85 4.574 -0.711 -0.711 626 HA ARG 85 HA ARG 85 6.366 -0.533 -0.533 627 1HB ARG 85 HB1 ARG 85 5.624 -2.695 -2.695 628 2HB ARG 85 HB2 ARG 85 3.958 -2.306 -2.306 629 1HG ARG 85 HG2 ARG 85 4.438 -3.511 -3.511 630 2HG ARG 85 HG1 ARG 85 5.087 -1.971 -1.971 631 1HD ARG 85 HD1 ARG 85 7.314 -2.639 -2.639 632 2HD ARG 85 HD2 ARG 85 6.650 -4.196 -4.196 633 HE ARG 85 HE ARG 85 7.450 -3.460 -3.460 634 1HH1 ARG 85 HH11 ARG 85 5.036 -5.282 -5.282 635 2HH1 ARG 85 HH12 ARG 85 4.758 -6.392 -6.392 636 1HH2 ARG 85 HH21 ARG 85 7.091 -4.916 -4.916 637 2HH2 ARG 85 HH22 ARG 85 5.927 -6.184 -6.184 638 H THR 86 HN THR 86 3.163 0.614 0.614 639 HA THR 86 HA THR 86 2.358 0.856 0.856 640 HB THR 86 HB THR 86 0.669 2.513 2.513 641 HG1 THR 86 HG1 THR 86 0.796 2.813 2.813 642 1HG2 THR 86 HG22 THR 86 0.797 -0.373 -0.373 643 2HG2 THR 86 HG21 THR 86 -0.168 0.314 0.314 644 3HG2 THR 86 HG23 THR 86 -0.563 0.689 0.689 645 H GLY 87 HN GLY 87 2.795 3.522 3.522 646 1HA GLY 87 HA2 GLY 87 4.703 5.089 5.089 647 2HA GLY 87 HA1 GLY 87 3.925 5.112 5.112 648 H PHE 88 HN PHE 88 3.047 5.559 5.559 649 HA PHE 88 HA PHE 88 1.958 8.174 8.174 650 1HB PHE 88 HB2 PHE 88 0.195 5.866 5.866 651 2HB PHE 88 HB1 PHE 88 -0.264 7.549 7.549 652 HD1 PHE 88 HD1 PHE 88 0.537 8.877 8.877 653 HD2 PHE 88 HD2 PHE 88 -1.118 4.981 4.981 654 HE1 PHE 88 HE1 PHE 88 -0.361 8.963 8.963 655 HE2 PHE 88 HE2 PHE 88 -2.018 5.058 5.058 656 HZ PHE 88 HZ PHE 88 -1.648 7.049 7.049 657 H LEU 89 HN LEU 89 4.041 7.975 7.975 658 HA LEU 89 HA LEU 89 3.963 7.181 7.181 659 1HB LEU 89 HB1 LEU 89 6.028 7.881 7.881 660 2HB LEU 89 HB2 LEU 89 5.397 9.472 9.472 661 HG LEU 89 HG LEU 89 5.226 9.922 9.922 662 1HD1 LEU 89 HD21 LEU 89 5.227 7.413 7.413 663 2HD1 LEU 89 HD23 LEU 89 6.982 7.525 7.525 664 3HD1 LEU 89 HD22 LEU 89 6.132 8.486 8.486 665 1HD2 LEU 89 HD11 LEU 89 7.137 10.668 10.668 666 2HD2 LEU 89 HD13 LEU 89 7.567 10.381 10.381 667 3HD2 LEU 89 HD12 LEU 89 7.996 9.197 9.197 668 H ASP 90 HN ASP 90 2.506 9.989 9.989 669 HA ASP 90 HA ASP 90 2.123 11.631 11.631 670 1HB ASP 90 HB1 ASP 90 0.187 12.544 12.544 671 2HB ASP 90 HB2 ASP 90 0.163 11.137 11.137 672 H THR 91 HN THR 91 -0.379 9.446 9.446 673 HA THR 91 HA THR 91 -1.856 9.477 9.477 674 HB THR 91 HB THR 91 -2.093 7.584 7.584 675 HG1 THR 91 HG1 THR 91 -2.532 9.514 9.514 676 1HG2 THR 91 HG22 THR 91 -3.269 6.859 6.859 677 2HG2 THR 91 HG21 THR 91 -4.212 8.346 8.346 678 3HG2 THR 91 HG23 THR 91 -4.324 7.158 7.158 679 H LEU 92 HN LEU 92 0.314 7.188 7.188 680 HA LEU 92 HA LEU 92 0.060 5.011 5.011 681 1HB LEU 92 HB2 LEU 92 1.385 4.748 4.748 682 2HB LEU 92 HB1 LEU 92 2.392 6.126 6.126 683 HG LEU 92 HG LEU 92 2.392 3.604 3.604 684 1HD1 LEU 92 HD12 LEU 92 3.196 3.752 3.752 685 2HD1 LEU 92 HD11 LEU 92 4.687 3.962 3.962 686 3HD1 LEU 92 HD13 LEU 92 3.680 2.536 2.536 687 1HD2 LEU 92 HD22 LEU 92 3.869 6.147 6.147 688 2HD2 LEU 92 HD21 LEU 92 3.519 5.045 5.045 689 3HD2 LEU 92 HD23 LEU 92 4.847 4.696 4.696 690 H LYS 93 HN LYS 93 2.190 7.814 7.814 691 HA LYS 93 HA LYS 93 3.496 7.152 7.152 692 1HB LYS 93 HB2 LYS 93 4.181 9.016 9.016 693 2HB LYS 93 HB1 LYS 93 2.684 9.866 9.866 694 1HG LYS 93 HG1 LYS 93 3.353 10.464 10.464 695 2HG LYS 93 HG2 LYS 93 4.468 9.103 9.103 696 1HD LYS 93 HD1 LYS 93 5.544 11.368 11.368 697 2HD LYS 93 HD2 LYS 93 6.061 10.135 10.135 698 1HE LYS 93 HE1 LYS 93 5.655 11.702 11.702 699 2HE LYS 93 HE2 LYS 93 3.964 11.258 11.258 700 1HZ LYS 93 HZ3 LYS 93 5.249 13.357 13.357 701 2HZ LYS 93 HZ2 LYS 93 4.553 13.705 13.705 702 3HZ LYS 93 HZ1 LYS 93 3.598 13.083 13.083 703 H VAL 94 HN VAL 94 0.248 8.257 8.257 704 HA VAL 94 HA VAL 94 -0.215 9.147 9.147 705 HB VAL 94 HB VAL 94 -2.309 8.258 8.258 706 1HG1 VAL 94 HG22 VAL 94 -2.342 9.533 9.533 707 2HG1 VAL 94 HG21 VAL 94 -3.295 10.384 10.384 708 3HG1 VAL 94 HG23 VAL 94 -3.623 8.687 8.687 709 1HG2 VAL 94 HG13 VAL 94 -0.846 10.875 10.875 710 2HG2 VAL 94 HG12 VAL 94 -1.021 9.843 9.843 711 3HG2 VAL 94 HG11 VAL 94 -2.413 10.727 10.727 712 H LEU 95 HN LEU 95 -1.796 6.416 6.416 713 HA LEU 95 HA LEU 95 -2.550 5.174 5.174 714 1HB LEU 95 HB1 LEU 95 -3.236 3.295 3.295 715 2HB LEU 95 HB2 LEU 95 -3.712 4.793 4.793 716 HG LEU 95 HG LEU 95 -2.952 3.167 3.167 717 1HD1 LEU 95 HD23 LEU 95 -2.500 5.668 5.668 718 2HD1 LEU 95 HD22 LEU 95 -0.817 5.238 5.238 719 3HD1 LEU 95 HD21 LEU 95 -1.670 4.561 4.561 720 1HD2 LEU 95 HD11 LEU 95 -1.152 2.343 2.343 721 2HD2 LEU 95 HD13 LEU 95 -1.075 1.952 1.952 722 3HD2 LEU 95 HD12 LEU 95 -0.128 3.292 3.292 723 H VAL 96 HN VAL 96 0.386 4.999 4.999 724 HA VAL 96 HA VAL 96 1.328 2.565 2.565 725 HB VAL 96 HB VAL 96 2.733 4.742 4.742 726 1HG1 VAL 96 HG11 VAL 96 3.873 2.644 2.644 727 2HG1 VAL 96 HG13 VAL 96 4.456 2.611 2.611 728 3HG1 VAL 96 HG12 VAL 96 4.630 4.076 4.076 729 1HG2 VAL 96 HG23 VAL 96 1.655 2.032 2.032 730 2HG2 VAL 96 HG22 VAL 96 1.547 3.523 3.523 731 3HG2 VAL 96 HG21 VAL 96 3.057 2.616 2.616 732 H GLU 97 HN GLU 97 2.272 5.981 5.981 733 HA GLU 97 HA GLU 97 4.019 5.618 5.618 734 1HB GLU 97 HB1 GLU 97 3.886 7.944 7.944 735 2HB GLU 97 HB2 GLU 97 3.576 7.713 7.713 736 1HG GLU 97 HG2 GLU 97 1.307 7.885 7.885 737 2HG GLU 97 HG1 GLU 97 2.117 9.348 9.348 738 H HIS 98 HN HIS 98 0.515 5.903 5.903 739 HA HIS 98 HA HIS 98 0.067 6.303 6.303 740 1HB HIS 98 HB2 HIS 98 -1.585 6.404 6.404 741 2HB HIS 98 HB1 HIS 98 -1.791 4.678 4.678 742 HD2 HIS 98 HD2 HIS 98 -1.381 6.399 6.399 743 HE1 HIS 98 HE1 HIS 98 -5.540 6.203 6.203 744 HE2 HIS 98 HE2 HIS 98 -3.764 6.502 6.502 745 H GLY 99 HN GLY 99 -0.493 3.237 3.237 746 1HA GLY 99 HA2 GLY 99 1.081 1.634 1.634 747 2HA GLY 99 HA1 GLY 99 -0.549 1.658 1.658 748 H ALA 100 HN ALA 100 1.011 1.327 1.327 749 HA ALA 100 HA ALA 100 -0.951 -0.764 -0.764 750 1HB ALA 100 HB2 ALA 100 -0.755 1.263 1.263 751 2HB ALA 100 HB1 ALA 100 0.843 0.673 0.673 752 3HB ALA 100 HB3 ALA 100 -0.588 -0.294 -0.294 753 H ASP 101 HN ASP 101 1.510 -1.094 -1.094 754 HA ASP 101 HA ASP 101 3.324 -2.469 -2.469 755 1HB ASP 101 HB2 ASP 101 2.243 -4.445 -4.445 756 2HB ASP 101 HB1 ASP 101 1.137 -3.959 -3.959 757 H VAL 102 HN VAL 102 4.753 -1.039 -1.039 758 HA VAL 102 HA VAL 102 5.236 -1.541 -1.541 759 HB VAL 102 HB VAL 102 7.196 0.145 0.145 760 1HG1 VAL 102 HG11 VAL 102 6.506 -0.148 -0.148 761 2HG1 VAL 102 HG13 VAL 102 5.312 1.084 1.084 762 3HG1 VAL 102 HG12 VAL 102 7.031 1.419 1.419 763 1HG2 VAL 102 HG23 VAL 102 4.292 0.638 0.638 764 2HG2 VAL 102 HG22 VAL 102 5.657 0.977 0.977 765 3HG2 VAL 102 HG21 VAL 102 5.340 2.019 2.019 766 H ASN 103 HN ASN 103 5.864 -3.426 -3.426 767 HA ASN 103 HA ASN 103 8.571 -4.097 -4.097 768 1HB ASN 103 HB1 ASN 103 7.588 -3.827 -3.827 769 2HB ASN 103 HB2 ASN 103 8.882 -4.960 -4.960 770 1HD2 ASN 103 HD22 ASN 103 9.992 -1.390 -1.390 771 2HD2 ASN 103 HD21 ASN 103 8.688 -2.323 -2.323 772 H ALA 104 HN ALA 104 5.875 -5.095 -5.095 773 HA ALA 104 HA ALA 104 5.996 -7.837 -7.837 774 1HB ALA 104 HB1 ALA 104 3.849 -6.439 -6.439 775 2HB ALA 104 HB3 ALA 104 3.783 -6.736 -6.736 776 3HB ALA 104 HB2 ALA 104 3.745 -8.091 -8.091 777 H LEU 105 HN LEU 105 5.590 -9.606 -9.606 778 HA LEU 105 HA LEU 105 6.701 -9.005 -9.005 779 1HB LEU 105 HB2 LEU 105 7.258 -11.438 -11.438 780 2HB LEU 105 HB1 LEU 105 7.851 -11.176 -11.176 781 HG LEU 105 HG LEU 105 8.588 -9.586 -9.586 782 1HD1 LEU 105 HD12 LEU 105 9.792 -11.838 -11.838 783 2HD1 LEU 105 HD11 LEU 105 10.892 -10.517 -10.517 784 3HD1 LEU 105 HD13 LEU 105 9.992 -11.327 -11.327 785 1HD2 LEU 105 HD22 LEU 105 8.747 -8.936 -8.936 786 2HD2 LEU 105 HD21 LEU 105 8.973 -7.908 -7.908 787 3HD2 LEU 105 HD23 LEU 105 10.314 -8.880 -8.880 788 H ASP 106 HN ASP 106 5.974 -10.294 -10.294 789 HA ASP 106 HA ASP 106 3.362 -11.500 -11.500 790 1HB ASP 106 HB1 ASP 106 3.379 -9.721 -9.721 791 2HB ASP 106 HB2 ASP 106 3.043 -11.256 -11.256 792 H SER 107 HN SER 107 3.074 -13.107 -13.107 793 HA SER 107 HA SER 107 4.098 -15.531 -15.531 794 1HB SER 107 HB1 SER 107 3.293 -14.590 -14.590 795 2HB SER 107 HB2 SER 107 3.641 -16.274 -16.274 796 HG SER 107 HG SER 107 1.988 -15.711 -15.711 797 H THR 108 HN THR 108 5.461 -13.300 -13.300 798 HA THR 108 HA THR 108 7.648 -14.921 -14.921 799 HB THR 108 HB THR 108 8.068 -12.002 -12.002 800 HG1 THR 108 HG1 THR 108 6.116 -12.975 -12.975 801 1HG2 THR 108 HG21 THR 108 9.438 -13.532 -13.532 802 2HG2 THR 108 HG23 THR 108 7.995 -14.096 -14.096 803 3HG2 THR 108 HG22 THR 108 8.524 -12.424 -12.424 804 H GLY 109 HN GLY 109 7.156 -12.631 -12.631 805 1HA GLY 109 HA2 GLY 109 8.332 -12.534 -12.534 806 2HA GLY 109 HA1 GLY 109 9.510 -13.655 -13.655 807 H SER 110 HN SER 110 8.542 -10.704 -10.704 808 HA SER 110 HA SER 110 11.280 -9.698 -9.698 809 1HB SER 110 HB2 SER 110 9.246 -9.353 -9.353 810 2HB SER 110 HB1 SER 110 10.561 -8.193 -8.193 811 HG SER 110 HG SER 110 10.620 -10.631 -10.631 812 H LEU 111 HN LEU 111 11.559 -8.070 -8.070 813 HA LEU 111 HA LEU 111 9.548 -6.761 -6.761 814 1HB LEU 111 HB1 LEU 111 12.179 -6.874 -6.874 815 2HB LEU 111 HB2 LEU 111 12.104 -5.325 -5.325 816 HG LEU 111 HG LEU 111 10.556 -4.513 -4.513 817 1HD1 LEU 111 HD21 LEU 111 10.729 -7.316 -7.316 818 2HD1 LEU 111 HD23 LEU 111 10.990 -6.187 -6.187 819 3HD1 LEU 111 HD22 LEU 111 9.508 -6.101 -6.101 820 1HD2 LEU 111 HD12 LEU 111 13.280 -4.708 -4.708 821 2HD2 LEU 111 HD11 LEU 111 12.307 -3.772 -3.772 822 3HD2 LEU 111 HD13 LEU 111 12.832 -5.401 -5.401 823 HA PRO 112 HA PRO 112 7.531 -3.933 -3.933 824 1HB PRO 112 HB2 PRO 112 7.964 -2.078 -2.078 825 2HB PRO 112 HB1 PRO 112 6.500 -2.366 -2.366 826 1HG PRO 112 HG1 PRO 112 6.795 -3.466 -3.466 827 2HG PRO 112 HG2 PRO 112 6.033 -4.365 -4.365 828 1HD PRO 112 HD2 PRO 112 8.724 -4.698 -4.698 829 2HD PRO 112 HD1 PRO 112 7.680 -5.900 -5.900 830 H ILE 113 HN ILE 113 10.537 -3.127 -3.127 831 HA ILE 113 HA ILE 113 11.085 -0.791 -0.791 832 HB ILE 113 HB ILE 113 12.182 -0.942 -0.942 833 1HG1 ILE 113 HG11 ILE 113 14.668 -1.472 -1.472 834 2HG1 ILE 113 HG12 ILE 113 13.611 -0.676 -0.676 835 1HG2 ILE 113 HG21 ILE 113 13.300 -3.563 -3.563 836 2HG2 ILE 113 HG23 ILE 113 13.829 -2.733 -2.733 837 3HG2 ILE 113 HG22 ILE 113 12.167 -3.309 -3.309 838 1HD1 ILE 113 HD11 ILE 113 14.028 0.397 0.397 839 2HD1 ILE 113 HD13 ILE 113 15.096 0.802 0.802 840 3HD1 ILE 113 HD12 ILE 113 13.386 1.224 1.224 841 H HIS 114 HN HIS 114 12.072 -4.187 -4.187 842 HA HIS 114 HA HIS 114 13.939 -4.045 -4.045 843 1HB HIS 114 HB2 HIS 114 11.962 -6.181 -6.181 844 2HB HIS 114 HB1 HIS 114 13.069 -6.407 -6.407 845 HD2 HIS 114 HD2 HIS 114 15.870 -6.179 -6.179 846 HE1 HIS 114 HE1 HIS 114 14.940 -7.437 -7.437 847 HE2 HIS 114 HE2 HIS 114 16.811 -6.902 -6.902 848 H LEU 115 HN LEU 115 10.451 -3.898 -3.898 849 HA LEU 115 HA LEU 115 10.261 -4.200 -4.200 850 1HB LEU 115 HB1 LEU 115 8.155 -2.740 -2.740 851 2HB LEU 115 HB2 LEU 115 7.998 -3.977 -3.977 852 HG LEU 115 HG LEU 115 8.632 -4.376 -4.376 853 1HD1 LEU 115 HD12 LEU 115 6.222 -4.218 -4.218 854 2HD1 LEU 115 HD11 LEU 115 6.498 -5.945 -5.945 855 3HD1 LEU 115 HD13 LEU 115 6.478 -4.860 -4.860 856 1HD2 LEU 115 HD23 LEU 115 9.623 -5.897 -5.897 857 2HD2 LEU 115 HD22 LEU 115 9.521 -6.371 -6.371 858 3HD2 LEU 115 HD21 LEU 115 8.221 -6.795 -6.795 859 H ALA 116 HN ALA 116 10.120 -1.422 -1.422 860 HA ALA 116 HA ALA 116 9.806 0.555 0.555 861 1HB ALA 116 HB3 ALA 116 9.627 0.670 0.670 862 2HB ALA 116 HB2 ALA 116 11.325 1.135 1.135 863 3HB ALA 116 HB1 ALA 116 10.091 2.096 2.096 864 H ILE 117 HN ILE 117 12.610 -1.102 -1.102 865 HA ILE 117 HA ILE 117 14.592 0.613 0.613 866 HB ILE 117 HB ILE 117 14.685 -2.299 -2.299 867 1HG1 ILE 117 HG12 ILE 117 15.982 0.073 0.073 868 2HG1 ILE 117 HG11 ILE 117 14.346 -0.450 -0.450 869 1HG2 ILE 117 HG21 ILE 117 16.645 -0.663 -0.663 870 2HG2 ILE 117 HG23 ILE 117 17.279 -1.452 -1.452 871 3HG2 ILE 117 HG22 ILE 117 16.535 -2.415 -2.415 872 1HD1 ILE 117 HD11 ILE 117 16.327 -2.593 -2.593 873 2HD1 ILE 117 HD13 ILE 117 16.602 -1.303 -1.303 874 3HD1 ILE 117 HD12 ILE 117 15.065 -2.166 -2.166 875 H ARG 118 HN ARG 118 12.991 -2.301 -2.301 876 HA ARG 118 HA ARG 118 14.529 -2.393 -2.393 877 1HB ARG 118 HB2 ARG 118 12.957 -4.093 -4.093 878 2HB ARG 118 HB1 ARG 118 13.418 -4.386 -4.386 879 1HG ARG 118 HG1 ARG 118 11.347 -3.865 -3.865 880 2HG ARG 118 HG2 ARG 118 10.960 -2.806 -2.806 881 1HD ARG 118 HD2 ARG 118 9.976 -4.465 -4.465 882 2HD ARG 118 HD1 ARG 118 11.380 -5.509 -5.509 883 HE ARG 118 HE ARG 118 8.980 -5.476 -5.476 884 1HH1 ARG 118 HH21 ARG 118 12.298 -6.502 -6.502 885 2HH1 ARG 118 HH22 ARG 118 12.139 -7.773 -7.773 886 1HH2 ARG 118 HH11 ARG 118 8.765 -7.142 -7.142 887 2HH2 ARG 118 HH12 ARG 118 10.131 -8.138 -8.138 888 H GLU 119 HN GLU 119 11.924 -0.513 -0.513 889 HA GLU 119 HA GLU 119 10.882 0.076 0.076 890 1HB GLU 119 HB1 GLU 119 10.050 0.537 0.537 891 2HB GLU 119 HB2 GLU 119 9.798 1.939 1.939 892 1HG GLU 119 HG1 GLU 119 8.106 0.978 0.978 893 2HG GLU 119 HG2 GLU 119 8.914 -0.586 -0.586 894 H GLY 120 HN GLY 120 12.331 1.982 1.982 895 1HA GLY 120 HA1 GLY 120 14.237 3.410 3.410 896 2HA GLY 120 HA2 GLY 120 13.565 3.695 3.695 897 H HIS 121 HN HIS 121 10.998 3.714 3.714 898 HA HIS 121 HA HIS 121 10.469 6.441 6.441 899 1HB HIS 121 HB2 HIS 121 9.369 4.299 4.299 900 2HB HIS 121 HB1 HIS 121 8.825 5.966 5.966 901 HD2 HIS 121 HD2 HIS 121 7.123 3.235 3.235 902 HE1 HIS 121 HE1 HIS 121 6.941 5.810 5.810 903 HE2 HIS 121 HE2 HIS 121 5.841 3.858 3.858 904 H SER 122 HN SER 122 12.534 7.361 7.361 905 HA SER 122 HA SER 122 13.927 7.273 7.273 906 1HB SER 122 HB2 SER 122 13.762 9.979 9.979 907 2HB SER 122 HB1 SER 122 14.761 8.980 8.980 908 HG SER 122 HG SER 122 12.083 9.734 9.734 909 H SER 123 HN SER 123 10.863 9.050 9.050 910 HA SER 123 HA SER 123 10.760 9.952 9.952 911 1HB SER 123 HB2 SER 123 8.905 9.782 9.782 912 2HB SER 123 HB1 SER 123 8.123 9.738 9.738 913 HG SER 123 HG SER 123 10.100 11.638 11.638 914 H VAL 124 HN VAL 124 9.300 7.095 7.095 915 HA VAL 124 HA VAL 124 8.109 6.123 6.123 916 HB VAL 124 HB VAL 124 8.735 4.779 4.779 917 1HG1 VAL 124 HG11 VAL 124 8.806 3.094 3.094 918 2HG1 VAL 124 HG13 VAL 124 7.236 3.636 3.636 919 3HG1 VAL 124 HG12 VAL 124 7.367 2.898 2.898 920 1HG2 VAL 124 HG23 VAL 124 6.982 6.521 6.521 921 2HG2 VAL 124 HG22 VAL 124 6.351 4.919 4.919 922 3HG2 VAL 124 HG21 VAL 124 6.113 5.596 5.596 923 H VAL 125 HN VAL 125 10.892 4.836 4.836 924 HA VAL 125 HA VAL 125 11.716 2.926 2.926 925 HB VAL 125 HB VAL 125 13.761 4.549 4.549 926 1HG1 VAL 125 HG12 VAL 125 14.250 2.517 2.517 927 2HG1 VAL 125 HG11 VAL 125 13.536 1.564 1.564 928 3HG1 VAL 125 HG13 VAL 125 14.964 2.553 2.553 929 1HG2 VAL 125 HG21 VAL 125 11.603 2.850 2.850 930 2HG2 VAL 125 HG23 VAL 125 12.244 4.396 4.396 931 3HG2 VAL 125 HG22 VAL 125 13.190 2.923 2.923 932 H SER 126 HN SER 126 12.623 6.362 6.362 933 HA SER 126 HA SER 126 14.381 6.203 6.203 934 1HB SER 126 HB1 SER 126 14.542 8.585 8.585 935 2HB SER 126 HB2 SER 126 14.449 7.974 7.974 936 HG SER 126 HG SER 126 13.007 9.623 9.623 937 H PHE 127 HN PHE 127 10.986 6.748 6.748 938 HA PHE 127 HA PHE 127 10.531 7.830 7.830 939 1HB PHE 127 HB2 PHE 127 8.859 8.371 8.371 940 2HB PHE 127 HB1 PHE 127 8.752 6.721 6.721 941 HD1 PHE 127 HD2 PHE 127 8.053 8.819 8.819 942 HD2 PHE 127 HD1 PHE 127 7.138 5.258 5.258 943 HE1 PHE 127 HE2 PHE 127 6.156 8.392 8.392 944 HE2 PHE 127 HE1 PHE 127 5.240 4.825 4.825 945 HZ PHE 127 HZ PHE 127 4.747 6.392 6.392 946 H LEU 128 HN LEU 128 9.450 4.719 4.719 947 HA LEU 128 HA LEU 128 8.937 3.562 3.562 948 1HB LEU 128 HB2 LEU 128 8.152 1.791 1.791 949 2HB LEU 128 HB1 LEU 128 8.221 2.923 2.923 950 HG LEU 128 HG LEU 128 9.159 0.951 0.951 951 1HD1 LEU 128 HD21 LEU 128 10.650 3.208 3.208 952 2HD1 LEU 128 HD23 LEU 128 11.769 2.033 2.033 953 3HD1 LEU 128 HD22 LEU 128 11.086 1.763 1.763 954 1HD2 LEU 128 HD11 LEU 128 9.582 0.245 0.245 955 2HD2 LEU 128 HD13 LEU 128 10.215 -0.631 -0.631 956 3HD2 LEU 128 HD12 LEU 128 11.231 0.536 0.536 957 H ALA 129 HN ALA 129 11.845 4.256 4.256 958 HA ALA 129 HA ALA 129 13.483 2.087 2.087 959 1HB ALA 129 HB1 ALA 129 13.890 5.006 5.006 960 2HB ALA 129 HB3 ALA 129 15.186 4.082 4.082 961 3HB ALA 129 HB2 ALA 129 14.667 3.689 3.689 962 HA PRO 130 HA PRO 130 14.488 3.466 3.466 963 1HB PRO 130 HB2 PRO 130 13.409 5.757 5.757 964 2HB PRO 130 HB1 PRO 130 14.924 5.727 5.727 965 1HG PRO 130 HG1 PRO 130 12.160 6.403 6.403 966 2HG PRO 130 HG2 PRO 130 13.692 7.223 7.223 967 1HD PRO 130 HD2 PRO 130 12.525 5.499 5.499 968 2HD PRO 130 HD1 PRO 130 14.286 5.689 5.689 969 H GLU 131 HN GLU 131 11.225 4.303 4.303 970 HA GLU 131 HA GLU 131 9.807 3.854 3.854 971 1HB GLU 131 HB1 GLU 131 9.017 3.340 3.340 972 2HB GLU 131 HB2 GLU 131 7.893 3.252 3.252 973 1HG GLU 131 HG2 GLU 131 9.501 5.724 5.724 974 2HG GLU 131 HG1 GLU 131 8.012 5.412 5.412 975 H SER 132 HN SER 132 11.479 1.658 1.658 976 HA SER 132 HA SER 132 10.154 -0.646 -0.646 977 1HB SER 132 HB2 SER 132 11.444 -1.935 -1.935 978 2HB SER 132 HB1 SER 132 10.108 -0.920 -0.920 979 HG SER 132 HG SER 132 12.883 -0.373 -0.373 980 H ASP 133 HN ASP 133 12.056 -2.556 -2.556 981 HA ASP 133 HA ASP 133 13.986 -1.650 -1.650 982 1HB ASP 133 HB1 ASP 133 14.436 -4.201 -4.201 983 2HB ASP 133 HB2 ASP 133 12.919 -3.585 -3.585 984 H LEU 134 HN LEU 134 15.392 -0.521 -0.521 985 HA LEU 134 HA LEU 134 16.558 -1.542 -1.542 986 1HB LEU 134 HB2 LEU 134 17.155 0.603 0.603 987 2HB LEU 134 HB1 LEU 134 18.512 0.049 0.049 988 HG LEU 134 HG LEU 134 16.437 0.391 0.391 989 1HD1 LEU 134 HD23 LEU 134 16.539 2.685 2.685 990 2HD1 LEU 134 HD22 LEU 134 15.739 2.710 2.710 991 3HD1 LEU 134 HD21 LEU 134 15.162 1.627 1.627 992 1HD2 LEU 134 HD11 LEU 134 19.068 1.070 1.070 993 2HD2 LEU 134 HD13 LEU 134 18.020 1.559 1.559 994 3HD2 LEU 134 HD12 LEU 134 18.279 2.647 2.647 995 H HIS 135 HN HIS 135 16.874 -3.808 -3.808 996 HA HIS 135 HA HIS 135 19.537 -4.472 -4.472 997 1HB HIS 135 HB1 HIS 135 19.982 -4.802 -4.802 998 2HB HIS 135 HB2 HIS 135 18.815 -3.497 -3.497 999 HD2 HIS 135 HD2 HIS 135 19.379 -7.036 -7.036 1000 HE1 HIS 135 HE1 HIS 135 15.326 -6.099 -6.099 1001 HE2 HIS 135 HE2 HIS 135 17.247 -7.657 -7.657 1002 H HIS 136 HN HIS 136 16.240 -5.408 -5.408 1003 HA HIS 136 HA HIS 136 16.416 -8.138 -8.138 1004 1HB HIS 136 HB1 HIS 136 14.350 -6.662 -6.662 1005 2HB HIS 136 HB2 HIS 136 14.205 -6.728 -6.728 1006 HD2 HIS 136 HD2 HIS 136 12.543 -8.652 -8.652 1007 HE1 HIS 136 HE1 HIS 136 13.129 -11.269 -11.269 1008 HE2 HIS 136 HE2 HIS 136 11.739 -10.804 -10.804 1009 H ARG 137 HN ARG 137 15.461 -9.645 -9.645 1010 HA ARG 137 HA ARG 137 16.688 -9.002 -9.002 1011 1HB ARG 137 HB1 ARG 137 16.768 -11.760 -11.760 1012 2HB ARG 137 HB2 ARG 137 17.656 -11.161 -11.161 1013 1HG ARG 137 HG1 ARG 137 19.130 -9.918 -9.918 1014 2HG ARG 137 HG2 ARG 137 18.087 -10.047 -10.047 1015 1HD ARG 137 HD2 ARG 137 18.609 -12.326 -12.326 1016 2HD ARG 137 HD1 ARG 137 19.332 -12.453 -12.453 1017 HE ARG 137 HE ARG 137 20.635 -11.648 -11.648 1018 1HH1 ARG 137 HH11 ARG 137 20.512 -11.016 -11.016 1019 2HH1 ARG 137 HH12 ARG 137 22.152 -10.467 -10.467 1020 1HH2 ARG 137 HH21 ARG 137 22.796 -10.928 -10.928 1021 2HH2 ARG 137 HH22 ARG 137 23.451 -10.414 -10.414 1022 H ASP 138 HN ASP 138 15.982 -10.748 -10.748 1023 HA ASP 138 HA ASP 138 13.150 -11.425 -11.425 1024 1HB ASP 138 HB2 ASP 138 13.081 -9.448 -9.448 1025 2HB ASP 138 HB1 ASP 138 12.792 -10.800 -10.800 1026 H ALA 139 HN ALA 139 12.369 -13.000 -13.000 1027 HA ALA 139 HA ALA 139 13.838 -15.341 -15.341 1028 1HB ALA 139 HB1 ALA 139 11.393 -15.092 -15.092 1029 2HB ALA 139 HB3 ALA 139 11.888 -14.656 -14.656 1030 3HB ALA 139 HB2 ALA 139 12.279 -16.250 -16.250 1031 H SER 140 HN SER 140 14.218 -12.605 -12.605 1032 HA SER 140 HA SER 140 15.448 -13.750 -13.750 1033 1HB SER 140 HB2 SER 140 14.832 -11.152 -11.152 1034 2HB SER 140 HB1 SER 140 16.536 -11.164 -11.164 1035 HG SER 140 HG SER 140 16.000 -11.681 -11.681 1036 H GLY 141 HN GLY 141 16.851 -12.220 -12.220 1037 1HA GLY 141 HA2 GLY 141 18.725 -13.465 -13.465 1038 2HA GLY 141 HA1 GLY 141 19.354 -13.685 -13.685 1039 H LEU 142 HN LEU 142 17.948 -10.644 -10.644 1040 HA LEU 142 HA LEU 142 20.517 -9.426 -9.426 1041 1HB LEU 142 HB1 LEU 142 19.622 -7.604 -7.604 1042 2HB LEU 142 HB2 LEU 142 20.732 -8.893 -8.893 1043 HG LEU 142 HG LEU 142 18.339 -10.122 -10.122 1044 1HD1 LEU 142 HD21 LEU 142 17.869 -7.238 -7.238 1045 2HD1 LEU 142 HD23 LEU 142 17.372 -8.067 -8.067 1046 3HD1 LEU 142 HD22 LEU 142 16.723 -8.577 -8.577 1047 1HD2 LEU 142 HD13 LEU 142 19.979 -8.465 -8.465 1048 2HD2 LEU 142 HD12 LEU 142 20.181 -10.177 -10.177 1049 3HD2 LEU 142 HD11 LEU 142 18.744 -9.625 -9.625 1050 H THR 143 HN THR 143 20.326 -7.164 -7.164 1051 HA THR 143 HA THR 143 17.726 -6.669 -6.669 1052 HB THR 143 HB THR 143 18.779 -6.149 -6.149 1053 HG1 THR 143 HG1 THR 143 21.059 -5.035 -5.035 1054 1HG2 THR 143 HG21 THR 143 20.093 -8.186 -8.186 1055 2HG2 THR 143 HG23 THR 143 21.409 -7.025 -7.025 1056 3HG2 THR 143 HG22 THR 143 20.687 -7.325 -7.325 1057 HA PRO 144 HA PRO 144 17.045 -2.555 -2.555 1058 1HB PRO 144 HB2 PRO 144 18.542 -1.371 -1.371 1059 2HB PRO 144 HB1 PRO 144 16.965 -0.926 -0.926 1060 1HG PRO 144 HG2 PRO 144 17.152 -2.366 -2.366 1061 2HG PRO 144 HG1 PRO 144 15.881 -2.689 -2.689 1062 1HD PRO 144 HD2 PRO 144 18.333 -4.244 -4.244 1063 2HD PRO 144 HD1 PRO 144 16.768 -4.801 -4.801 1064 H LEU 145 HN LEU 145 20.208 -2.300 -2.300 1065 HA LEU 145 HA LEU 145 21.391 -0.607 -0.607 1066 1HB LEU 145 HB2 LEU 145 22.163 -1.933 -1.933 1067 2HB LEU 145 HB1 LEU 145 23.352 -2.359 -2.359 1068 HG LEU 145 HG LEU 145 22.704 0.330 0.330 1069 1HD1 LEU 145 HD12 LEU 145 24.543 -1.233 -1.233 1070 2HD1 LEU 145 HD11 LEU 145 25.379 -0.852 -0.852 1071 3HD1 LEU 145 HD13 LEU 145 24.993 0.433 0.433 1072 1HD2 LEU 145 HD21 LEU 145 23.773 -0.268 -0.268 1073 2HD2 LEU 145 HD23 LEU 145 22.581 0.934 0.934 1074 3HD2 LEU 145 HD22 LEU 145 24.287 1.176 1.176 1075 H GLU 146 HN GLU 146 21.509 -4.140 -4.140 1076 HA GLU 146 HA GLU 146 23.249 -4.721 -4.721 1077 1HB GLU 146 HB2 GLU 146 22.112 -6.297 -6.297 1078 2HB GLU 146 HB1 GLU 146 20.799 -6.385 -6.385 1079 1HG GLU 146 HG1 GLU 146 23.178 -6.835 -6.835 1080 2HG GLU 146 HG2 GLU 146 23.274 -7.800 -7.800 1081 H LEU 147 HN LEU 147 19.683 -4.797 -4.797 1082 HA LEU 147 HA LEU 147 19.521 -5.082 -5.082 1083 1HB LEU 147 HB2 LEU 147 17.721 -4.743 -4.743 1084 2HB LEU 147 HB1 LEU 147 17.479 -3.299 -3.299 1085 HG LEU 147 HG LEU 147 17.056 -6.167 -6.167 1086 1HD1 LEU 147 HD11 LEU 147 15.399 -4.007 -4.007 1087 2HD1 LEU 147 HD13 LEU 147 15.090 -4.338 -4.338 1088 3HD1 LEU 147 HD12 LEU 147 14.924 -5.627 -5.627 1089 1HD2 LEU 147 HD21 LEU 147 17.924 -3.940 -3.940 1090 2HD2 LEU 147 HD23 LEU 147 18.004 -5.680 -5.680 1091 3HD2 LEU 147 HD22 LEU 147 16.500 -4.807 -4.807 1092 H ALA 148 HN ALA 148 19.740 -2.115 -2.115 1093 HA ALA 148 HA ALA 148 19.400 -0.231 -0.231 1094 1HB ALA 148 HB1 ALA 148 20.593 -0.288 -0.288 1095 2HB ALA 148 HB3 ALA 148 21.355 0.886 0.886 1096 3HB ALA 148 HB2 ALA 148 19.618 0.959 0.959 1097 H ARG 149 HN ARG 149 22.331 -1.971 -1.971 1098 HA ARG 149 HA ARG 149 24.115 -0.671 -0.671 1099 1HB ARG 149 HB2 ARG 149 24.997 -2.031 -2.031 1100 2HB ARG 149 HB1 ARG 149 24.134 -3.449 -3.449 1101 1HG ARG 149 HG2 ARG 149 25.529 -3.281 -3.281 1102 2HG ARG 149 HG1 ARG 149 26.508 -2.090 -2.090 1103 1HD ARG 149 HD2 ARG 149 27.693 -3.819 -3.819 1104 2HD ARG 149 HD1 ARG 149 26.312 -4.162 -4.162 1105 HE ARG 149 HE ARG 149 26.044 -6.078 -6.078 1106 1HH1 ARG 149 HH21 ARG 149 27.493 -3.702 -3.702 1107 2HH1 ARG 149 HH22 ARG 149 27.593 -4.769 -4.769 1108 1HH2 ARG 149 HH11 ARG 149 26.173 -7.494 -7.494 1109 2HH2 ARG 149 HH12 ARG 149 26.840 -6.926 -6.926 1110 H GLN 150 HN GLN 150 21.908 -3.358 -3.358 1111 HA GLN 150 HA GLN 150 22.810 -4.128 -4.128 1112 1HB GLN 150 HB2 GLN 150 21.599 -5.833 -5.833 1113 2HB GLN 150 HB1 GLN 150 20.481 -4.738 -4.738 1114 1HG GLN 150 HG1 GLN 150 18.999 -4.878 -4.878 1115 2HG GLN 150 HG2 GLN 150 20.229 -4.682 -4.682 1116 1HE2 GLN 150 HE22 GLN 150 20.774 -8.153 -8.153 1117 2HE2 GLN 150 HE21 GLN 150 21.537 -6.604 -6.604 1118 H ARG 151 HN ARG 151 19.545 -2.934 -2.934 1119 HA ARG 151 HA ARG 151 19.382 -1.651 -1.651 1120 1HB ARG 151 HB1 ARG 151 17.459 -2.722 -2.722 1121 2HB ARG 151 HB2 ARG 151 17.479 -1.287 -1.287 1122 1HG ARG 151 HG2 ARG 151 16.210 -0.221 -0.221 1123 2HG ARG 151 HG1 ARG 151 17.428 -0.453 -0.453 1124 1HD ARG 151 HD2 ARG 151 15.896 -2.865 -2.865 1125 2HD ARG 151 HD1 ARG 151 14.880 -1.518 -1.518 1126 HE ARG 151 HE ARG 151 16.624 -3.024 -3.024 1127 1HH1 ARG 151 HH11 ARG 151 15.475 0.220 0.220 1128 2HH1 ARG 151 HH12 ARG 151 15.719 0.714 0.714 1129 1HH2 ARG 151 HH21 ARG 151 16.951 -2.385 -2.385 1130 2HH2 ARG 151 HH22 ARG 151 16.558 -0.767 -0.767 1131 H GLY 152 HN GLY 152 21.481 -0.467 -0.467 1132 1HA GLY 152 HA1 GLY 152 21.200 1.734 1.734 1133 2HA GLY 152 HA2 GLY 152 22.524 1.473 1.473 1134 H ALA 153 HN ALA 153 19.037 2.044 2.044 1135 HA ALA 153 HA ALA 153 18.862 3.339 3.339 1136 1HB ALA 153 HB1 ALA 153 17.560 4.101 4.101 1137 2HB ALA 153 HB3 ALA 153 17.148 4.883 4.883 1138 3HB ALA 153 HB2 ALA 153 16.890 3.149 3.149 1139 H GLN 154 HN GLN 154 20.192 4.740 4.740 1140 HA GLN 154 HA GLN 154 22.056 6.353 6.353 1141 1HB GLN 154 HB2 GLN 154 20.837 8.639 8.639 1142 2HB GLN 154 HB1 GLN 154 20.599 7.746 7.746 1143 1HG GLN 154 HG2 GLN 154 18.512 8.662 8.662 1144 2HG GLN 154 HG1 GLN 154 18.481 6.904 6.904 1145 1HE2 GLN 154 HE22 GLN 154 17.603 6.511 6.511 1146 2HE2 GLN 154 HE21 GLN 154 17.679 5.898 5.898 1147 H ASN 155 HN ASN 155 20.606 8.527 8.527 1148 HA ASN 155 HA ASN 155 22.451 7.894 7.894 1149 1HB ASN 155 HB2 ASN 155 20.188 9.901 9.901 1150 2HB ASN 155 HB1 ASN 155 21.454 9.823 9.823 1151 1HD2 ASN 155 HD22 ASN 155 23.035 12.275 12.275 1152 2HD2 ASN 155 HD21 ASN 155 22.145 11.906 11.906 1153 H LEU 156 HN LEU 156 19.727 6.313 6.313 1154 HA LEU 156 HA LEU 156 18.139 6.202 6.202 1155 1HB LEU 156 HB2 LEU 156 17.079 4.616 4.616 1156 2HB LEU 156 HB1 LEU 156 18.294 4.835 4.835 1157 HG LEU 156 HG LEU 156 19.638 3.028 3.028 1158 1HD1 LEU 156 HD22 LEU 156 17.326 3.132 3.132 1159 2HD1 LEU 156 HD21 LEU 156 17.850 1.518 1.518 1160 3HD1 LEU 156 HD23 LEU 156 18.988 2.619 2.619 1161 1HD2 LEU 156 HD11 LEU 156 16.895 2.374 2.374 1162 2HD2 LEU 156 HD13 LEU 156 18.385 2.542 2.542 1163 3HD2 LEU 156 HD12 LEU 156 18.194 1.199 1.199 1164 H MET 157 HN MET 157 20.977 4.174 4.174 1165 HA MET 157 HA MET 157 20.989 2.640 2.640 1166 1HB MET 157 HB1 MET 157 23.127 2.009 2.009 1167 2HB MET 157 HB2 MET 157 22.503 2.607 2.607 1168 1HG MET 157 HG1 MET 157 24.600 3.554 3.554 1169 2HG MET 157 HG2 MET 157 23.562 4.847 4.847 1170 1HE MET 157 HE3 MET 157 25.376 1.736 1.736 1171 2HE MET 157 HE2 MET 157 26.389 2.164 2.164 1172 3HE MET 157 HE1 MET 157 24.697 1.731 1.731 1173 H ASP 158 HN ASP 158 22.114 5.924 5.924 1174 HA ASP 158 HA ASP 158 23.434 6.126 6.126 1175 1HB ASP 158 HB2 ASP 158 22.462 8.613 8.613 1176 2HB ASP 158 HB1 ASP 158 23.505 7.612 7.612 1177 H ILE 159 HN ILE 159 20.254 7.118 7.118 1178 HA ILE 159 HA ILE 159 19.335 8.528 8.528 1179 HB ILE 159 HB ILE 159 17.694 6.640 6.640 1180 1HG1 ILE 159 HG11 ILE 159 17.935 9.569 9.569 1181 2HG1 ILE 159 HG12 ILE 159 19.199 8.499 8.499 1182 1HG2 ILE 159 HG21 ILE 159 17.099 8.558 8.558 1183 2HG2 ILE 159 HG23 ILE 159 16.223 8.875 8.875 1184 3HG2 ILE 159 HG22 ILE 159 16.083 7.303 7.303 1185 1HD1 ILE 159 HD11 ILE 159 16.844 7.267 7.267 1186 2HD1 ILE 159 HD13 ILE 159 16.590 8.986 8.986 1187 3HD1 ILE 159 HD12 ILE 159 17.973 8.158 8.158 1188 H LEU 160 HN LEU 160 19.254 5.023 5.023 1189 HA LEU 160 HA LEU 160 17.895 4.449 4.449 1190 1HB LEU 160 HB2 LEU 160 19.576 2.439 2.439 1191 2HB LEU 160 HB1 LEU 160 18.050 2.216 2.216 1192 HG LEU 160 HG LEU 160 18.562 3.251 3.251 1193 1HD1 LEU 160 HD13 LEU 160 17.882 0.832 0.832 1194 2HD1 LEU 160 HD12 LEU 160 16.270 1.544 1.544 1195 3HD1 LEU 160 HD11 LEU 160 17.171 1.561 1.561 1196 1HD2 LEU 160 HD22 LEU 160 16.399 4.109 4.109 1197 2HD2 LEU 160 HD21 LEU 160 17.230 5.006 5.006 1198 3HD2 LEU 160 HD23 LEU 160 15.997 3.817 3.817 1199 H GLN 161 HN GLN 161 21.262 4.589 4.589 1200 HA GLN 161 HA GLN 161 22.356 3.368 3.368 1201 1HB GLN 161 HB2 GLN 161 23.333 4.718 4.718 1202 2HB GLN 161 HB1 GLN 161 24.272 5.145 5.145 1203 1HG GLN 161 HG2 GLN 161 23.670 2.280 2.280 1204 2HG GLN 161 HG1 GLN 161 24.915 3.085 3.085 1205 1HE2 GLN 161 HE22 GLN 161 27.175 3.452 3.452 1206 2HE2 GLN 161 HE21 GLN 161 26.659 4.124 4.124 1207 H GLY 162 HN GLY 162 21.553 6.698 6.698 1208 1HA GLY 162 HA1 GLY 162 22.796 7.897 7.897 1209 2HA GLY 162 HA2 GLY 162 21.544 8.624 8.624 1210 H HIS 163 HN HIS 163 19.404 7.020 7.020 1211 HA HIS 163 HA HIS 163 18.549 7.771 7.771 1212 1HB HIS 163 HB1 HIS 163 17.264 6.306 6.306 1213 2HB HIS 163 HB2 HIS 163 16.465 6.411 6.411 1214 HD2 HIS 163 HD2 HIS 163 16.197 8.156 8.156 1215 HE1 HIS 163 HE1 HIS 163 15.798 11.225 11.225 1216 HE2 HIS 163 HE2 HIS 163 15.637 10.653 10.653 1217 H MET 164 HN MET 164 20.259 5.133 5.133 1218 HA MET 164 HA MET 164 19.216 2.968 2.968 1219 1HB MET 164 HB1 MET 164 21.074 2.961 2.961 1220 2HB MET 164 HB2 MET 164 22.160 3.455 3.455 1221 1HG MET 164 HG1 MET 164 20.750 1.234 1.234 1222 2HG MET 164 HG2 MET 164 21.217 0.843 0.843 1223 1HE MET 164 HE3 MET 164 23.039 -0.800 -0.800 1224 2HE MET 164 HE2 MET 164 23.700 0.606 0.606 1225 3HE MET 164 HE1 MET 164 24.697 -0.285 -0.285 1226 H MET 165 HN MET 165 18.580 3.362 3.362 1227 HA MET 165 HA MET 165 20.237 4.735 4.735 1228 1HB MET 165 HB1 MET 165 17.934 4.955 4.955 1229 2HB MET 165 HB2 MET 165 17.640 3.235 3.235 1230 1HG MET 165 HG2 MET 165 17.455 3.985 3.985 1231 2HG MET 165 HG1 MET 165 18.667 2.728 2.728 1232 1HE MET 165 HE1 MET 165 18.027 4.803 4.803 1233 2HE MET 165 HE3 MET 165 19.475 3.908 3.908 1234 3HE MET 165 HE2 MET 165 19.484 5.671 5.671 1235 H ILE 166 HN ILE 166 21.818 3.922 3.922 1236 HA ILE 166 HA ILE 166 22.150 1.008 1.008 1237 HB ILE 166 HB ILE 166 24.159 3.161 3.161 1238 1HG1 ILE 166 HG11 ILE 166 24.330 1.380 1.380 1239 2HG1 ILE 166 HG12 ILE 166 23.303 2.808 2.808 1240 1HG2 ILE 166 HG21 ILE 166 24.106 0.361 0.361 1241 2HG2 ILE 166 HG23 ILE 166 25.375 0.697 0.697 1242 3HG2 ILE 166 HG22 ILE 166 25.367 1.535 1.535 1243 1HD1 ILE 166 HD13 ILE 166 25.485 3.981 3.981 1244 2HD1 ILE 166 HD12 ILE 166 26.253 2.596 2.596 1245 3HD1 ILE 166 HD11 ILE 166 25.230 3.680 3.680 1246 HA PRO 167 HA PRO 167 20.593 0.954 0.954 1247 1HB PRO 167 HB2 PRO 167 22.378 -1.436 -1.436 1248 2HB PRO 167 HB1 PRO 167 20.692 -1.274 -1.274 1249 1HG PRO 167 HG2 PRO 167 21.312 -2.485 -2.485 1250 2HG PRO 167 HG1 PRO 167 19.890 -1.433 -1.433 1251 1HD PRO 167 HD1 PRO 167 22.533 -0.916 -0.916 1252 2HD PRO 167 HD2 PRO 167 20.918 -0.354 -0.354 1253 H MET 168 HN MET 168 21.347 2.034 2.034 1254 HA MET 168 HA MET 168 24.073 1.667 1.667 1255 1HB MET 168 HB1 MET 168 23.132 4.128 4.128 1256 2HB MET 168 HB2 MET 168 24.067 4.361 4.361 1257 1HG MET 168 HG1 MET 168 25.940 3.235 3.235 1258 2HG MET 168 HG2 MET 168 25.006 2.641 2.641 1259 1HE MET 168 HE3 MET 168 27.678 4.447 4.447 1260 2HE MET 168 HE2 MET 168 27.803 4.204 4.204 1261 3HE MET 168 HE1 MET 168 27.822 5.837 5.837 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 -34.311 -7.873 -7.873 2 2H GLY 1 HT3 GLY 1 -35.784 -8.577 -8.577 3 3H GLY 1 HT2 GLY 1 -35.632 -7.805 -7.805 4 1HA GLY 1 HA1 GLY 1 -35.526 -10.066 -10.066 5 2HA GLY 1 HA2 GLY 1 -34.485 -10.385 -10.385 6 H SER 2 HN SER 2 -34.621 -8.815 -8.815 7 HA SER 2 HA SER 2 -31.706 -9.188 -9.188 8 1HB SER 2 HB1 SER 2 -33.428 -6.943 -6.943 9 2HB SER 2 HB2 SER 2 -31.778 -7.233 -7.233 10 HG SER 2 HG SER 2 -32.532 -6.780 -6.780 11 H MET 3 HN MET 3 -32.745 -11.353 -11.353 12 HA MET 3 HA MET 3 -33.918 -11.421 -11.421 13 1HB MET 3 HB1 MET 3 -32.558 -13.840 -13.840 14 2HB MET 3 HB2 MET 3 -34.160 -13.662 -13.662 15 1HG MET 3 HG2 MET 3 -34.734 -12.442 -12.442 16 2HG MET 3 HG1 MET 3 -33.274 -13.215 -13.215 17 1HE MET 3 HE3 MET 3 -34.087 -14.259 -14.259 18 2HE MET 3 HE2 MET 3 -34.531 -15.962 -15.962 19 3HE MET 3 HE1 MET 3 -35.781 -14.737 -14.737 20 H LEU 4 HN LEU 4 -32.437 -13.616 -13.616 21 HA LEU 4 HA LEU 4 -30.560 -12.216 -12.216 22 1HB LEU 4 HB2 LEU 4 -30.949 -15.180 -15.180 23 2HB LEU 4 HB1 LEU 4 -29.881 -14.491 -14.491 24 HG LEU 4 HG LEU 4 -32.459 -13.307 -13.307 25 1HD1 LEU 4 HD21 LEU 4 -32.480 -16.163 -16.163 26 2HD1 LEU 4 HD23 LEU 4 -33.360 -15.734 -15.734 27 3HD1 LEU 4 HD22 LEU 4 -33.772 -14.965 -14.965 28 1HD2 LEU 4 HD11 LEU 4 -30.382 -14.517 -14.517 29 2HD2 LEU 4 HD13 LEU 4 -31.665 -13.426 -13.426 30 3HD2 LEU 4 HD12 LEU 4 -31.939 -15.168 -15.168 31 H LEU 5 HN LEU 5 -28.740 -11.380 -11.380 32 HA LEU 5 HA LEU 5 -26.618 -12.967 -12.967 33 1HB LEU 5 HB1 LEU 5 -28.092 -13.070 -13.070 34 2HB LEU 5 HB2 LEU 5 -27.871 -11.340 -11.340 35 HG LEU 5 HG LEU 5 -25.373 -11.809 -11.809 36 1HD1 LEU 5 HD21 LEU 5 -26.439 -14.537 -14.537 37 2HD1 LEU 5 HD23 LEU 5 -25.231 -14.302 -14.302 38 3HD1 LEU 5 HD22 LEU 5 -24.847 -13.896 -13.896 39 1HD2 LEU 5 HD11 LEU 5 -26.853 -11.279 -11.279 40 2HD2 LEU 5 HD13 LEU 5 -25.458 -12.277 -12.277 41 3HD2 LEU 5 HD12 LEU 5 -27.054 -13.013 -13.013 42 H GLU 6 HN GLU 6 -26.602 -11.183 -11.183 43 HA GLU 6 HA GLU 6 -25.360 -8.758 -8.758 44 1HB GLU 6 HB2 GLU 6 -27.417 -8.869 -8.869 45 2HB GLU 6 HB1 GLU 6 -26.059 -8.827 -8.827 46 1HG GLU 6 HG1 GLU 6 -25.273 -6.823 -6.823 47 2HG GLU 6 HG2 GLU 6 -26.962 -6.773 -6.773 48 H GLU 7 HN GLU 7 -25.034 -11.253 -11.253 49 HA GLU 7 HA GLU 7 -23.262 -11.792 -11.792 50 1HB GLU 7 HB2 GLU 7 -22.478 -11.942 -11.942 51 2HB GLU 7 HB1 GLU 7 -21.120 -11.877 -11.877 52 1HG GLU 7 HG2 GLU 7 -21.888 -14.172 -14.172 53 2HG GLU 7 HG1 GLU 7 -21.823 -13.842 -13.842 54 H VAL 8 HN VAL 8 -23.772 -8.987 -8.987 55 HA VAL 8 HA VAL 8 -21.465 -8.036 -8.036 56 HB VAL 8 HB VAL 8 -20.533 -7.944 -7.944 57 1HG1 VAL 8 HG11 VAL 8 -23.063 -7.147 -7.147 58 2HG1 VAL 8 HG13 VAL 8 -22.109 -5.671 -5.671 59 3HG1 VAL 8 HG12 VAL 8 -21.625 -7.126 -7.126 60 1HG2 VAL 8 HG23 VAL 8 -21.059 -5.277 -5.277 61 2HG2 VAL 8 HG22 VAL 8 -19.706 -6.364 -6.364 62 3HG2 VAL 8 HG21 VAL 8 -19.848 -5.557 -5.557 63 H CYS 9 HN CYS 9 -21.904 -6.219 -6.219 64 HA CYS 9 HA CYS 9 -24.638 -5.298 -5.298 65 1HB CYS 9 HB1 CYS 9 -22.262 -4.902 -4.902 66 2HB CYS 9 HB2 CYS 9 -23.594 -3.757 -3.757 67 HG CYS 9 HG CYS 9 -24.114 -5.572 -5.572 68 H VAL 10 HN VAL 10 -21.574 -3.473 -3.473 69 HA VAL 10 HA VAL 10 -22.782 -1.559 -1.559 70 HB VAL 10 HB VAL 10 -22.511 -0.775 -0.775 71 1HG1 VAL 10 HG13 VAL 10 -19.635 -0.736 -0.736 72 2HG1 VAL 10 HG12 VAL 10 -20.250 0.144 0.144 73 3HG1 VAL 10 HG11 VAL 10 -20.317 -1.618 -1.618 74 1HG2 VAL 10 HG21 VAL 10 -22.814 0.613 0.613 75 2HG2 VAL 10 HG23 VAL 10 -22.228 1.429 1.429 76 3HG2 VAL 10 HG22 VAL 10 -21.098 0.983 0.983 77 H GLY 11 HN GLY 11 -20.339 -3.761 -3.761 78 1HA GLY 11 HA2 GLY 11 -17.978 -2.782 -2.782 79 2HA GLY 11 HA1 GLY 11 -18.595 -4.335 -4.335 80 H ASP 12 HN ASP 12 -20.438 -3.964 -3.964 81 HA ASP 12 HA ASP 12 -19.168 -3.069 -3.069 82 1HB ASP 12 HB2 ASP 12 -21.881 -2.876 -2.876 83 2HB ASP 12 HB1 ASP 12 -21.806 -4.071 -4.071 84 H ARG 13 HN ARG 13 -20.725 -1.291 -1.291 85 HA ARG 13 HA ARG 13 -21.124 1.039 1.039 86 1HB ARG 13 HB1 ARG 13 -22.864 0.218 0.218 87 2HB ARG 13 HB2 ARG 13 -21.792 0.885 0.885 88 1HG ARG 13 HG2 ARG 13 -23.062 2.717 2.717 89 2HG ARG 13 HG1 ARG 13 -21.969 2.997 2.997 90 1HD ARG 13 HD1 ARG 13 -24.371 1.312 1.312 91 2HD ARG 13 HD2 ARG 13 -24.601 3.051 3.051 92 HE ARG 13 HE ARG 13 -22.521 2.553 2.553 93 1HH1 ARG 13 HH21 ARG 13 -25.982 2.309 2.309 94 2HH1 ARG 13 HH22 ARG 13 -26.271 2.500 2.500 95 1HH2 ARG 13 HH11 ARG 13 -22.889 2.808 2.808 96 2HH2 ARG 13 HH12 ARG 13 -24.512 2.784 2.784 97 H LEU 14 HN LEU 14 -19.830 0.489 0.489 98 HA LEU 14 HA LEU 14 -18.249 2.847 2.847 99 1HB LEU 14 HB1 LEU 14 -19.085 1.772 1.772 100 2HB LEU 14 HB2 LEU 14 -18.003 0.423 0.423 101 HG LEU 14 HG LEU 14 -17.323 2.278 2.278 102 1HD1 LEU 14 HD13 LEU 14 -15.945 0.386 0.386 103 2HD1 LEU 14 HD12 LEU 14 -15.106 1.828 1.828 104 3HD1 LEU 14 HD11 LEU 14 -15.215 1.496 1.496 105 1HD2 LEU 14 HD22 LEU 14 -17.792 4.031 4.031 106 2HD2 LEU 14 HD21 LEU 14 -16.393 4.233 4.233 107 3HD2 LEU 14 HD23 LEU 14 -16.182 3.593 3.593 108 H SER 15 HN SER 15 -17.232 -0.576 -0.576 109 HA SER 15 HA SER 15 -14.541 -0.137 -0.137 110 1HB SER 15 HB2 SER 15 -14.784 -2.317 -2.317 111 2HB SER 15 HB1 SER 15 -16.382 -2.444 -2.444 112 HG SER 15 HG SER 15 -15.478 -3.297 -3.297 113 H GLY 16 HN GLY 16 -17.291 -0.163 -0.163 114 1HA GLY 16 HA1 GLY 16 -15.862 -0.502 -0.502 115 2HA GLY 16 HA2 GLY 16 -17.488 0.141 0.141 116 H ALA 17 HN ALA 17 -17.132 2.384 2.384 117 HA ALA 17 HA ALA 17 -16.043 4.190 4.190 118 1HB ALA 17 HB3 ALA 17 -18.035 4.537 4.537 119 2HB ALA 17 HB2 ALA 17 -16.803 4.993 4.993 120 3HB ALA 17 HB1 ALA 17 -16.962 5.898 5.898 121 H ALA 18 HN ALA 18 -15.037 3.049 3.049 122 HA ALA 18 HA ALA 18 -12.941 4.768 4.768 123 1HB ALA 18 HB2 ALA 18 -13.870 2.276 2.276 124 2HB ALA 18 HB1 ALA 18 -12.120 2.182 2.182 125 3HB ALA 18 HB3 ALA 18 -12.832 3.466 3.466 126 H ALA 19 HN ALA 19 -12.896 1.781 1.781 127 HA ALA 19 HA ALA 19 -10.110 1.954 1.954 128 1HB ALA 19 HB2 ALA 19 -11.379 -0.169 -0.169 129 2HB ALA 19 HB1 ALA 19 -12.233 0.370 0.370 130 3HB ALA 19 HB3 ALA 19 -10.490 0.102 0.102 131 H ARG 20 HN ARG 20 -13.068 2.945 2.945 132 HA ARG 20 HA ARG 20 -11.775 3.690 3.690 133 1HB ARG 20 HB1 ARG 20 -14.488 4.374 4.374 134 2HB ARG 20 HB2 ARG 20 -13.950 4.860 4.860 135 1HG ARG 20 HG2 ARG 20 -13.932 2.666 2.666 136 2HG ARG 20 HG1 ARG 20 -13.950 1.985 1.985 137 1HD ARG 20 HD1 ARG 20 -16.237 3.117 3.117 138 2HD ARG 20 HD2 ARG 20 -16.189 3.285 3.285 139 HE ARG 20 HE ARG 20 -16.725 0.908 0.908 140 1HH1 ARG 20 HH21 ARG 20 -15.310 2.113 2.113 141 2HH1 ARG 20 HH22 ARG 20 -15.563 0.642 0.642 142 1HH2 ARG 20 HH11 ARG 20 -17.059 -1.039 -1.039 143 2HH2 ARG 20 HH12 ARG 20 -16.556 -1.150 -1.150 144 H GLY 21 HN GLY 21 -11.759 5.050 5.050 145 1HA GLY 21 HA1 GLY 21 -10.198 7.009 7.009 146 2HA GLY 21 HA2 GLY 21 -11.240 7.742 7.742 147 H ASP 22 HN ASP 22 -13.639 7.777 7.777 148 HA ASP 22 HA ASP 22 -15.000 9.078 9.078 149 1HB ASP 22 HB1 ASP 22 -16.031 7.662 7.662 150 2HB ASP 22 HB2 ASP 22 -15.043 6.496 6.496 151 H VAL 23 HN VAL 23 -12.399 10.117 10.117 152 HA VAL 23 HA VAL 23 -11.342 10.521 10.521 153 HB VAL 23 HB VAL 23 -10.116 11.361 11.361 154 1HG1 VAL 23 HG12 VAL 23 -12.511 11.971 11.971 155 2HG1 VAL 23 HG11 VAL 23 -11.913 13.577 13.577 156 3HG1 VAL 23 HG13 VAL 23 -10.954 12.521 12.521 157 1HG2 VAL 23 HG23 VAL 23 -11.183 13.635 13.635 158 2HG2 VAL 23 HG22 VAL 23 -9.749 12.658 12.658 159 3HG2 VAL 23 HG21 VAL 23 -9.782 13.757 13.757 160 H GLN 24 HN GLN 24 -13.822 12.402 12.402 161 HA GLN 24 HA GLN 24 -14.367 14.087 14.087 162 1HB GLN 24 HB2 GLN 24 -16.191 13.679 13.679 163 2HB GLN 24 HB1 GLN 24 -16.028 15.104 15.104 164 1HG GLN 24 HG1 GLN 24 -13.891 15.612 15.612 165 2HG GLN 24 HG2 GLN 24 -13.863 14.087 14.087 166 1HE2 GLN 24 HE22 GLN 24 -16.458 16.999 16.999 167 2HE2 GLN 24 HE21 GLN 24 -16.138 16.785 16.785 168 H GLU 25 HN GLU 25 -15.670 11.129 11.129 169 HA GLU 25 HA GLU 25 -18.062 11.103 11.103 170 1HB GLU 25 HB2 GLU 25 -16.727 9.374 9.374 171 2HB GLU 25 HB1 GLU 25 -17.554 8.473 8.473 172 1HG GLU 25 HG2 GLU 25 -19.017 10.689 10.689 173 2HG GLU 25 HG1 GLU 25 -18.762 9.201 9.201 174 H VAL 26 HN VAL 26 -14.832 9.748 9.748 175 HA VAL 26 HA VAL 26 -15.280 7.993 7.993 176 HB VAL 26 HB VAL 26 -13.074 8.571 8.571 177 1HG1 VAL 26 HG12 VAL 26 -13.140 10.954 10.954 178 2HG1 VAL 26 HG11 VAL 26 -12.599 10.261 10.261 179 3HG1 VAL 26 HG13 VAL 26 -11.599 10.102 10.102 180 1HG2 VAL 26 HG23 VAL 26 -13.565 6.905 6.905 181 2HG2 VAL 26 HG22 VAL 26 -11.895 7.310 7.310 182 3HG2 VAL 26 HG21 VAL 26 -12.680 8.069 8.069 183 H ARG 27 HN ARG 27 -15.041 11.494 11.494 184 HA ARG 27 HA ARG 27 -14.930 11.738 11.738 185 1HB ARG 27 HB2 ARG 27 -15.978 13.853 13.853 186 2HB ARG 27 HB1 ARG 27 -15.141 14.066 14.066 187 1HG ARG 27 HG1 ARG 27 -13.479 12.616 12.616 188 2HG ARG 27 HG2 ARG 27 -14.047 14.115 14.115 189 1HD ARG 27 HD2 ARG 27 -12.562 13.798 13.798 190 2HD ARG 27 HD1 ARG 27 -11.990 14.576 14.576 191 HE ARG 27 HE ARG 27 -14.353 15.819 15.819 192 1HH1 ARG 27 HH21 ARG 27 -10.915 15.584 15.584 193 2HH1 ARG 27 HH22 ARG 27 -10.783 17.158 17.158 194 1HH2 ARG 27 HH11 ARG 27 -14.190 17.891 17.891 195 2HH2 ARG 27 HH12 ARG 27 -12.645 18.469 18.469 196 H ARG 28 HN ARG 28 -17.561 12.197 12.197 197 HA ARG 28 HA ARG 28 -19.539 12.591 12.591 198 1HB ARG 28 HB1 ARG 28 -20.277 11.705 11.705 199 2HB ARG 28 HB2 ARG 28 -21.046 12.902 12.902 200 1HG ARG 28 HG1 ARG 28 -18.659 14.087 14.087 201 2HG ARG 28 HG2 ARG 28 -18.851 13.196 13.196 202 1HD ARG 28 HD2 ARG 28 -21.344 14.382 14.382 203 2HD ARG 28 HD1 ARG 28 -20.113 15.620 15.620 204 HE ARG 28 HE ARG 28 -20.993 14.586 14.586 205 1HH1 ARG 28 HH11 ARG 28 -18.150 15.710 15.710 206 2HH1 ARG 28 HH12 ARG 28 -17.345 16.220 16.220 207 1HH2 ARG 28 HH21 ARG 28 -19.944 15.253 15.253 208 2HH2 ARG 28 HH22 ARG 28 -18.367 15.961 15.961 209 H LEU 29 HN LEU 29 -18.439 9.833 9.833 210 HA LEU 29 HA LEU 29 -20.471 8.027 8.027 211 1HB LEU 29 HB2 LEU 29 -17.524 7.717 7.717 212 2HB LEU 29 HB1 LEU 29 -18.496 6.314 6.314 213 HG LEU 29 HG LEU 29 -18.908 8.106 8.106 214 1HD1 LEU 29 HD11 LEU 29 -16.932 6.290 6.290 215 2HD1 LEU 29 HD13 LEU 29 -18.221 5.267 5.267 216 3HD1 LEU 29 HD12 LEU 29 -17.691 6.682 6.682 217 1HD2 LEU 29 HD22 LEU 29 -20.772 6.541 6.541 218 2HD2 LEU 29 HD21 LEU 29 -20.854 7.093 7.093 219 3HD2 LEU 29 HD23 LEU 29 -20.190 5.502 5.502 220 H LEU 30 HN LEU 30 -17.443 8.250 8.250 221 HA LEU 30 HA LEU 30 -18.468 6.626 6.626 222 1HB LEU 30 HB1 LEU 30 -16.093 8.442 8.442 223 2HB LEU 30 HB2 LEU 30 -16.386 6.911 6.911 224 HG LEU 30 HG LEU 30 -15.639 7.353 7.353 225 1HD1 LEU 30 HD12 LEU 30 -14.066 7.108 7.108 226 2HD1 LEU 30 HD11 LEU 30 -14.148 5.449 5.449 227 3HD1 LEU 30 HD13 LEU 30 -13.570 6.735 6.735 228 1HD2 LEU 30 HD22 LEU 30 -17.026 5.113 5.113 229 2HD2 LEU 30 HD21 LEU 30 -16.909 5.552 5.552 230 3HD2 LEU 30 HD23 LEU 30 -15.598 4.660 4.660 231 H HIS 31 HN HIS 31 -17.745 10.105 10.105 232 HA HIS 31 HA HIS 31 -18.650 10.713 10.713 233 1HB HIS 31 HB2 HIS 31 -18.410 12.615 12.615 234 2HB HIS 31 HB1 HIS 31 -18.393 13.024 13.024 235 HD2 HIS 31 HD2 HIS 31 -15.898 13.323 13.323 236 HE1 HIS 31 HE1 HIS 31 -13.909 11.019 11.019 237 HE2 HIS 31 HE2 HIS 31 -13.635 12.330 12.330 238 H ARG 32 HN ARG 32 -20.321 10.181 10.181 239 HA ARG 32 HA ARG 32 -22.781 11.211 11.211 240 1HB ARG 32 HB1 ARG 32 -21.608 12.094 12.094 241 2HB ARG 32 HB2 ARG 32 -23.011 11.140 11.140 242 1HG ARG 32 HG1 ARG 32 -24.230 12.955 12.955 243 2HG ARG 32 HG2 ARG 32 -23.925 12.726 12.726 244 1HD ARG 32 HD1 ARG 32 -21.914 14.115 14.115 245 2HD ARG 32 HD2 ARG 32 -22.235 14.354 14.354 246 HE ARG 32 HE ARG 32 -24.491 15.154 15.154 247 1HH1 ARG 32 HH21 ARG 32 -21.194 16.119 16.119 248 2HH1 ARG 32 HH22 ARG 32 -21.502 17.800 17.800 249 1HH2 ARG 32 HH11 ARG 32 -24.910 17.367 17.367 250 2HH2 ARG 32 HH12 ARG 32 -23.615 18.511 18.511 251 H GLU 33 HN GLU 33 -22.247 9.425 9.425 252 HA GLU 33 HA GLU 33 -24.371 7.770 7.770 253 1HB GLU 33 HB1 GLU 33 -22.379 7.923 7.923 254 2HB GLU 33 HB2 GLU 33 -21.697 6.610 6.610 255 1HG GLU 33 HG1 GLU 33 -24.248 5.736 5.736 256 2HG GLU 33 HG2 GLU 33 -23.845 6.585 6.585 257 H LEU 34 HN LEU 34 -21.593 7.545 7.545 258 HA LEU 34 HA LEU 34 -21.131 6.250 6.250 259 1HB LEU 34 HB2 LEU 34 -24.094 5.988 5.988 260 2HB LEU 34 HB1 LEU 34 -23.250 4.924 4.924 261 HG LEU 34 HG LEU 34 -22.804 7.882 7.882 262 1HD1 LEU 34 HD11 LEU 34 -25.308 6.505 6.505 263 2HD1 LEU 34 HD13 LEU 34 -24.700 7.322 7.322 264 3HD1 LEU 34 HD12 LEU 34 -24.957 8.233 8.233 265 1HD2 LEU 34 HD23 LEU 34 -21.659 5.827 5.827 266 2HD2 LEU 34 HD22 LEU 34 -21.853 7.440 7.440 267 3HD2 LEU 34 HD21 LEU 34 -23.012 6.171 6.171 268 H VAL 35 HN VAL 35 -20.831 5.215 5.215 269 HA VAL 35 HA VAL 35 -21.648 2.602 2.602 270 HB VAL 35 HB VAL 35 -19.302 2.453 2.453 271 1HG1 VAL 35 HG21 VAL 35 -21.888 3.433 3.433 272 2HG1 VAL 35 HG23 VAL 35 -20.659 4.346 4.346 273 3HG1 VAL 35 HG22 VAL 35 -20.711 2.588 2.588 274 1HG2 VAL 35 HG12 VAL 35 -18.623 4.602 4.602 275 2HG2 VAL 35 HG11 VAL 35 -18.228 4.456 4.456 276 3HG2 VAL 35 HG13 VAL 35 -19.612 5.426 5.426 277 H HIS 36 HN HIS 36 -20.617 0.584 0.584 278 HA HIS 36 HA HIS 36 -19.209 0.440 0.440 279 1HB HIS 36 HB1 HIS 36 -20.992 -1.247 -1.247 280 2HB HIS 36 HB2 HIS 36 -19.477 -2.125 -2.125 281 HD2 HIS 36 HD2 HIS 36 -22.633 -1.775 -1.775 282 HE1 HIS 36 HE1 HIS 36 -19.692 -2.335 -2.335 283 HE2 HIS 36 HE2 HIS 36 -22.163 -2.490 -2.490 284 HA PRO 37 HA PRO 37 -15.257 0.236 0.236 285 1HB PRO 37 HB2 PRO 37 -13.767 -0.228 -0.228 286 2HB PRO 37 HB1 PRO 37 -14.427 1.364 1.364 287 1HG PRO 37 HG2 PRO 37 -15.464 -0.702 -0.702 288 2HG PRO 37 HG1 PRO 37 -15.336 1.054 1.054 289 1HD PRO 37 HD2 PRO 37 -17.662 -0.176 -0.176 290 2HD PRO 37 HD1 PRO 37 -17.261 1.466 1.466 291 H ASP 38 HN ASP 38 -16.866 -2.267 -2.267 292 HA ASP 38 HA ASP 38 -14.784 -4.243 -4.243 293 1HB ASP 38 HB2 ASP 38 -16.534 -5.808 -5.808 294 2HB ASP 38 HB1 ASP 38 -15.849 -4.575 -4.575 295 H ALA 39 HN ALA 39 -17.309 -2.863 -2.863 296 HA ALA 39 HA ALA 39 -18.664 -4.811 -4.811 297 1HB ALA 39 HB2 ALA 39 -18.294 -2.121 -2.121 298 2HB ALA 39 HB1 ALA 39 -17.638 -2.808 -2.808 299 3HB ALA 39 HB3 ALA 39 -19.296 -3.167 -3.167 300 H LEU 40 HN LEU 40 -18.294 -6.322 -6.322 301 HA LEU 40 HA LEU 40 -15.597 -6.470 -6.470 302 1HB LEU 40 HB1 LEU 40 -17.202 -8.762 -8.762 303 2HB LEU 40 HB2 LEU 40 -15.710 -8.938 -8.938 304 HG LEU 40 HG LEU 40 -15.651 -7.204 -7.204 305 1HD1 LEU 40 HD11 LEU 40 -16.959 -9.321 -9.321 306 2HD1 LEU 40 HD13 LEU 40 -15.448 -10.186 -10.186 307 3HD1 LEU 40 HD12 LEU 40 -15.544 -8.966 -8.966 308 1HD2 LEU 40 HD21 LEU 40 -13.810 -8.626 -8.626 309 2HD2 LEU 40 HD23 LEU 40 -13.515 -7.288 -7.288 310 3HD2 LEU 40 HD22 LEU 40 -13.508 -8.948 -8.948 311 H ASN 41 HN ASN 41 -15.883 -6.098 -6.098 312 HA ASN 41 HA ASN 41 -18.101 -6.183 -6.183 313 1HB ASN 41 HB1 ASN 41 -16.710 -6.358 -6.358 314 2HB ASN 41 HB2 ASN 41 -15.786 -5.481 -5.481 315 1HD2 ASN 41 HD22 ASN 41 -13.309 -7.918 -7.918 316 2HD2 ASN 41 HD21 ASN 41 -14.060 -6.518 -6.518 317 H ARG 42 HN ARG 42 -16.006 -8.958 -8.958 318 HA ARG 42 HA ARG 42 -18.225 -10.722 -10.722 319 1HB ARG 42 HB1 ARG 42 -16.454 -10.533 -10.533 320 2HB ARG 42 HB2 ARG 42 -15.362 -11.346 -11.346 321 1HG ARG 42 HG1 ARG 42 -16.410 -12.857 -12.857 322 2HG ARG 42 HG2 ARG 42 -16.744 -13.303 -13.303 323 1HD ARG 42 HD2 ARG 42 -18.942 -12.330 -12.330 324 2HD ARG 42 HD1 ARG 42 -18.612 -11.705 -11.705 325 HE ARG 42 HE ARG 42 -18.254 -14.460 -14.460 326 1HH1 ARG 42 HH21 ARG 42 -20.826 -12.184 -12.184 327 2HH1 ARG 42 HH22 ARG 42 -22.065 -13.234 -13.234 328 1HH2 ARG 42 HH11 ARG 42 -19.876 -15.855 -15.855 329 2HH2 ARG 42 HH12 ARG 42 -21.524 -15.322 -15.322 330 H PHE 43 HN PHE 43 -17.373 -9.845 -9.845 331 HA PHE 43 HA PHE 43 -16.781 -10.619 -10.619 332 1HB PHE 43 HB2 PHE 43 -18.362 -12.667 -12.667 333 2HB PHE 43 HB1 PHE 43 -17.299 -13.350 -13.350 334 HD1 PHE 43 HD2 PHE 43 -17.381 -12.343 -12.343 335 HD2 PHE 43 HD1 PHE 43 -20.361 -11.637 -11.637 336 HE1 PHE 43 HE2 PHE 43 -18.967 -11.663 -11.663 337 HE2 PHE 43 HE1 PHE 43 -21.953 -10.955 -10.955 338 HZ PHE 43 HZ PHE 43 -21.257 -10.968 -10.968 339 H GLY 44 HN GLY 44 -14.564 -10.342 -10.342 340 1HA GLY 44 HA1 GLY 44 -12.900 -12.542 -12.542 341 2HA GLY 44 HA2 GLY 44 -12.808 -12.144 -12.144 342 H LYS 45 HN LYS 45 -12.923 -9.386 -9.386 343 HA LYS 45 HA LYS 45 -10.512 -8.690 -8.690 344 1HB LYS 45 HB1 LYS 45 -10.922 -7.097 -7.097 345 2HB LYS 45 HB2 LYS 45 -9.473 -7.910 -7.910 346 1HG LYS 45 HG2 LYS 45 -10.322 -10.028 -10.028 347 2HG LYS 45 HG1 LYS 45 -11.731 -9.170 -9.170 348 1HD LYS 45 HD1 LYS 45 -8.947 -8.308 -8.308 349 2HD LYS 45 HD2 LYS 45 -9.758 -9.601 -9.601 350 1HE LYS 45 HE2 LYS 45 -11.358 -7.169 -7.169 351 2HE LYS 45 HE1 LYS 45 -9.930 -6.963 -6.963 352 1HZ LYS 45 HZ2 LYS 45 -12.021 -9.029 -9.029 353 2HZ LYS 45 HZ1 LYS 45 -11.912 -7.574 -7.574 354 3HZ LYS 45 HZ3 LYS 45 -10.689 -8.735 -8.735 355 H THR 46 HN THR 46 -10.386 -6.607 -6.607 356 HA THR 46 HA THR 46 -12.960 -5.368 -5.368 357 HB THR 46 HB THR 46 -11.570 -3.875 -3.875 358 HG1 THR 46 HG1 THR 46 -9.544 -5.793 -5.793 359 1HG2 THR 46 HG23 THR 46 -12.466 -6.473 -6.473 360 2HG2 THR 46 HG22 THR 46 -10.821 -6.441 -6.441 361 3HG2 THR 46 HG21 THR 46 -12.017 -5.284 -5.284 362 H ALA 47 HN ALA 47 -13.079 -2.933 -2.933 363 HA ALA 47 HA ALA 47 -12.785 -1.961 -1.961 364 1HB ALA 47 HB2 ALA 47 -14.261 -1.080 -1.080 365 2HB ALA 47 HB1 ALA 47 -12.846 -0.170 -0.170 366 3HB ALA 47 HB3 ALA 47 -13.528 0.113 0.113 367 H LEU 48 HN LEU 48 -10.481 -2.125 -2.125 368 HA LEU 48 HA LEU 48 -8.740 -0.072 -0.072 369 1HB LEU 48 HB1 LEU 48 -8.891 -1.765 -1.765 370 2HB LEU 48 HB2 LEU 48 -7.339 -2.075 -2.075 371 HG LEU 48 HG LEU 48 -8.370 0.466 0.466 372 1HD1 LEU 48 HD11 LEU 48 -6.931 -1.358 -1.358 373 2HD1 LEU 48 HD13 LEU 48 -5.612 -0.662 -0.662 374 3HD1 LEU 48 HD12 LEU 48 -6.506 0.342 0.342 375 1HD2 LEU 48 HD21 LEU 48 -6.446 0.172 0.172 376 2HD2 LEU 48 HD23 LEU 48 -7.631 1.440 1.440 377 3HD2 LEU 48 HD22 LEU 48 -6.129 1.385 1.385 378 H GLN 49 HN GLN 49 -8.827 -3.600 -3.600 379 HA GLN 49 HA GLN 49 -6.417 -3.872 -3.872 380 1HB GLN 49 HB1 GLN 49 -8.226 -5.610 -5.610 381 2HB GLN 49 HB2 GLN 49 -8.588 -5.754 -5.754 382 1HG GLN 49 HG2 GLN 49 -5.994 -6.309 -6.309 383 2HG GLN 49 HG1 GLN 49 -7.012 -7.430 -7.430 384 1HE2 GLN 49 HE22 GLN 49 -4.017 -5.678 -5.678 385 2HE2 GLN 49 HE21 GLN 49 -4.197 -5.878 -5.878 386 H VAL 50 HN VAL 50 -9.490 -2.676 -2.676 387 HA VAL 50 HA VAL 50 -8.820 -2.920 -2.920 388 HB VAL 50 HB VAL 50 -11.184 -2.222 -2.222 389 1HG1 VAL 50 HG13 VAL 50 -10.220 -4.721 -4.721 390 2HG1 VAL 50 HG12 VAL 50 -11.923 -4.485 -4.485 391 3HG1 VAL 50 HG11 VAL 50 -11.390 -4.424 -4.424 392 1HG2 VAL 50 HG23 VAL 50 -11.375 -1.108 -1.108 393 2HG2 VAL 50 HG22 VAL 50 -12.757 -2.066 -2.066 394 3HG2 VAL 50 HG21 VAL 50 -11.630 -2.726 -2.726 395 H MET 51 HN MET 51 -9.544 -0.619 -0.619 396 HA MET 51 HA MET 51 -9.968 1.727 1.727 397 1HB MET 51 HB2 MET 51 -9.883 1.708 1.708 398 2HB MET 51 HB1 MET 51 -8.208 1.175 1.175 399 1HG MET 51 HG2 MET 51 -8.101 3.533 3.533 400 2HG MET 51 HG1 MET 51 -9.316 3.854 3.854 401 1HE MET 51 HE1 MET 51 -6.052 2.531 2.531 402 2HE MET 51 HE3 MET 51 -4.946 3.440 3.440 403 3HE MET 51 HE2 MET 51 -5.492 1.837 1.837 404 H MET 52 HN MET 52 -8.886 3.129 3.129 405 HA MET 52 HA MET 52 -6.320 2.270 2.270 406 1HB MET 52 HB1 MET 52 -6.639 4.098 4.098 407 2HB MET 52 HB2 MET 52 -8.011 3.001 3.001 408 1HG MET 52 HG1 MET 52 -9.182 4.914 4.914 409 2HG MET 52 HG2 MET 52 -8.839 4.828 4.828 410 1HE MET 52 HE1 MET 52 -9.043 6.538 6.538 411 2HE MET 52 HE3 MET 52 -8.906 8.130 8.130 412 3HE MET 52 HE2 MET 52 -7.615 7.530 7.530 413 H PHE 53 HN PHE 53 -4.389 3.217 3.217 414 HA PHE 53 HA PHE 53 -4.200 5.102 5.102 415 1HB PHE 53 HB2 PHE 53 -2.090 3.857 3.857 416 2HB PHE 53 HB1 PHE 53 -1.733 4.925 4.925 417 HD1 PHE 53 HD2 PHE 53 -3.695 1.817 1.817 418 HD2 PHE 53 HD1 PHE 53 -1.202 3.959 3.959 419 HE1 PHE 53 HE2 PHE 53 -3.708 -0.113 -0.113 420 HE2 PHE 53 HE1 PHE 53 -1.217 2.032 2.032 421 HZ PHE 53 HZ PHE 53 -2.480 -0.014 -0.014 422 H GLY 54 HN GLY 54 -5.638 6.413 6.413 423 1HA GLY 54 HA2 GLY 54 -3.782 8.162 8.162 424 2HA GLY 54 HA1 GLY 54 -5.493 7.976 7.976 425 H SER 55 HN SER 55 -6.857 8.465 8.465 426 HA SER 55 HA SER 55 -6.228 11.225 11.225 427 1HB SER 55 HB1 SER 55 -8.590 10.069 10.069 428 2HB SER 55 HB2 SER 55 -8.454 11.496 11.496 429 HG SER 55 HG SER 55 -8.714 8.791 8.791 430 HA PRO 56 HA PRO 56 -4.066 9.923 9.923 431 1HB PRO 56 HB2 PRO 56 -4.072 12.512 12.512 432 2HB PRO 56 HB1 PRO 56 -2.804 11.803 11.803 433 1HG PRO 56 HG2 PRO 56 -5.028 13.627 13.627 434 2HG PRO 56 HG1 PRO 56 -3.374 13.540 13.540 435 1HD PRO 56 HD1 PRO 56 -5.466 12.578 12.578 436 2HD PRO 56 HD2 PRO 56 -3.878 11.785 11.785 437 H ALA 57 HN ALA 57 -6.825 12.166 12.166 438 HA ALA 57 HA ALA 57 -7.493 11.731 11.731 439 1HB ALA 57 HB1 ALA 57 -9.189 12.637 12.637 440 2HB ALA 57 HB3 ALA 57 -9.720 12.651 12.651 441 3HB ALA 57 HB2 ALA 57 -8.358 13.652 13.652 442 H VAL 58 HN VAL 58 -8.300 10.005 10.005 443 HA VAL 58 HA VAL 58 -10.410 8.451 8.451 444 HB VAL 58 HB VAL 58 -8.553 8.281 8.281 445 1HG1 VAL 58 HG12 VAL 58 -10.250 5.965 5.965 446 2HG1 VAL 58 HG11 VAL 58 -9.530 6.119 6.119 447 3HG1 VAL 58 HG13 VAL 58 -8.497 5.996 5.996 448 1HG2 VAL 58 HG23 VAL 58 -10.848 9.474 9.474 449 2HG2 VAL 58 HG22 VAL 58 -10.462 8.567 8.567 450 3HG2 VAL 58 HG21 VAL 58 -11.509 7.856 7.856 451 H ALA 59 HN ALA 59 -6.912 7.994 7.994 452 HA ALA 59 HA ALA 59 -6.865 5.355 5.355 453 1HB ALA 59 HB1 ALA 59 -4.943 6.538 6.538 454 2HB ALA 59 HB3 ALA 59 -4.779 7.480 7.480 455 3HB ALA 59 HB2 ALA 59 -4.546 5.732 5.732 456 H LEU 60 HN LEU 60 -6.243 8.372 8.372 457 HA LEU 60 HA LEU 60 -6.237 7.186 7.186 458 1HB LEU 60 HB2 LEU 60 -5.205 9.278 9.278 459 2HB LEU 60 HB1 LEU 60 -6.586 9.995 9.995 460 HG LEU 60 HG LEU 60 -7.853 9.809 9.809 461 1HD1 LEU 60 HD22 LEU 60 -5.242 8.676 8.676 462 2HD1 LEU 60 HD21 LEU 60 -6.170 9.649 9.649 463 3HD1 LEU 60 HD23 LEU 60 -6.883 8.198 8.198 464 1HD2 LEU 60 HD13 LEU 60 -6.548 11.845 11.845 465 2HD2 LEU 60 HD12 LEU 60 -6.972 11.780 11.780 466 3HD2 LEU 60 HD11 LEU 60 -5.331 11.389 11.389 467 H GLU 61 HN GLU 61 -8.828 8.738 8.738 468 HA GLU 61 HA GLU 61 -10.765 8.747 8.747 469 1HB GLU 61 HB2 GLU 61 -10.926 8.804 8.804 470 2HB GLU 61 HB1 GLU 61 -12.384 8.738 8.738 471 1HG GLU 61 HG2 GLU 61 -11.206 10.775 10.775 472 2HG GLU 61 HG1 GLU 61 -10.435 10.938 10.938 473 H LEU 62 HN LEU 62 -10.091 6.345 6.345 474 HA LEU 62 HA LEU 62 -12.208 4.611 4.611 475 1HB LEU 62 HB2 LEU 62 -9.822 4.553 4.553 476 2HB LEU 62 HB1 LEU 62 -10.183 2.987 2.987 477 HG LEU 62 HG LEU 62 -12.185 4.626 4.626 478 1HD1 LEU 62 HD13 LEU 62 -10.029 2.834 2.834 479 2HD1 LEU 62 HD12 LEU 62 -11.616 2.525 2.525 480 3HD1 LEU 62 HD11 LEU 62 -10.875 4.117 4.117 481 1HD2 LEU 62 HD23 LEU 62 -12.170 1.885 1.885 482 2HD2 LEU 62 HD22 LEU 62 -13.405 3.140 3.140 483 3HD2 LEU 62 HD21 LEU 62 -13.170 2.244 2.244 484 H LEU 63 HN LEU 63 -8.749 4.327 4.327 485 HA LEU 63 HA LEU 63 -9.096 2.131 2.131 486 1HB LEU 63 HB1 LEU 63 -6.849 2.647 2.647 487 2HB LEU 63 HB2 LEU 63 -6.930 2.675 2.675 488 HG LEU 63 HG LEU 63 -7.211 5.234 5.234 489 1HD1 LEU 63 HD13 LEU 63 -6.895 4.404 4.404 490 2HD1 LEU 63 HD12 LEU 63 -5.592 5.495 5.495 491 3HD1 LEU 63 HD11 LEU 63 -7.272 5.999 5.999 492 1HD2 LEU 63 HD22 LEU 63 -4.918 3.502 3.502 493 2HD2 LEU 63 HD21 LEU 63 -5.195 5.049 5.049 494 3HD2 LEU 63 HD23 LEU 63 -4.520 5.009 5.009 495 H LYS 64 HN LYS 64 -9.559 5.536 5.536 496 HA LYS 64 HA LYS 64 -9.312 5.648 5.648 497 1HB LYS 64 HB2 LYS 64 -10.347 7.357 7.357 498 2HB LYS 64 HB1 LYS 64 -11.251 7.515 7.515 499 1HG LYS 64 HG2 LYS 64 -8.410 7.525 7.525 500 2HG LYS 64 HG1 LYS 64 -8.869 8.777 8.777 501 1HD LYS 64 HD2 LYS 64 -9.373 9.998 9.998 502 2HD LYS 64 HD1 LYS 64 -10.830 9.004 9.004 503 1HE LYS 64 HE2 LYS 64 -9.277 7.377 7.377 504 2HE LYS 64 HE1 LYS 64 -8.329 8.839 8.839 505 1HZ LYS 64 HZ2 LYS 64 -10.902 9.592 9.592 506 2HZ LYS 64 HZ1 LYS 64 -10.803 8.039 8.039 507 3HZ LYS 64 HZ3 LYS 64 -9.714 9.239 9.239 508 H GLN 65 HN GLN 65 -12.141 5.098 5.098 509 HA GLN 65 HA GLN 65 -14.125 4.999 4.999 510 1HB GLN 65 HB1 GLN 65 -13.744 4.022 4.022 511 2HB GLN 65 HB2 GLN 65 -14.795 2.973 2.973 512 1HG GLN 65 HG2 GLN 65 -15.155 5.886 5.886 513 2HG GLN 65 HG1 GLN 65 -16.187 4.536 4.536 514 1HE2 GLN 65 HE22 GLN 65 -17.963 4.415 4.415 515 2HE2 GLN 65 HE21 GLN 65 -17.553 3.605 3.605 516 H GLY 66 HN GLY 66 -11.939 2.397 2.397 517 1HA GLY 66 HA2 GLY 66 -11.404 1.108 1.108 518 2HA GLY 66 HA1 GLY 66 -13.080 0.625 0.625 519 H ALA 67 HN ALA 67 -10.670 1.100 1.100 520 HA ALA 67 HA ALA 67 -11.193 -1.599 -1.599 521 1HB ALA 67 HB2 ALA 67 -10.573 0.858 0.858 522 2HB ALA 67 HB1 ALA 67 -9.234 -0.239 -0.239 523 3HB ALA 67 HB3 ALA 67 -10.882 -0.700 -0.700 524 H SER 68 HN SER 68 -9.402 -3.005 -3.005 525 HA SER 68 HA SER 68 -7.065 -2.684 -2.684 526 1HB SER 68 HB2 SER 68 -8.929 -4.909 -4.909 527 2HB SER 68 HB1 SER 68 -7.246 -5.399 -5.399 528 HG SER 68 HG SER 68 -8.338 -3.960 -3.960 529 HA PRO 69 HA PRO 69 -5.060 -2.813 -2.813 530 1HB PRO 69 HB2 PRO 69 -2.707 -1.805 -1.805 531 2HB PRO 69 HB1 PRO 69 -4.139 -0.786 -0.786 532 1HG PRO 69 HG1 PRO 69 -2.961 -1.958 -1.958 533 2HG PRO 69 HG2 PRO 69 -3.599 -0.327 -0.327 534 1HD PRO 69 HD1 PRO 69 -5.013 -2.322 -2.322 535 2HD PRO 69 HD2 PRO 69 -5.769 -0.988 -0.988 536 H ASN 70 HN ASN 70 -4.821 -4.831 -4.831 537 HA ASN 70 HA ASN 70 -2.289 -6.078 -6.078 538 1HB ASN 70 HB2 ASN 70 -4.328 -6.507 -6.507 539 2HB ASN 70 HB1 ASN 70 -3.131 -7.751 -7.751 540 1HD2 ASN 70 HD22 ASN 70 -2.160 -4.447 -4.447 541 2HD2 ASN 70 HD21 ASN 70 -3.752 -4.741 -4.741 542 H VAL 71 HN VAL 71 -4.587 -6.018 -6.018 543 HA VAL 71 HA VAL 71 -5.109 -8.905 -8.905 544 HB VAL 71 HB VAL 71 -7.003 -8.395 -8.395 545 1HG1 VAL 71 HG21 VAL 71 -6.887 -7.806 -7.806 546 2HG1 VAL 71 HG23 VAL 71 -7.416 -6.254 -6.254 547 3HG1 VAL 71 HG22 VAL 71 -8.362 -7.708 -7.708 548 1HG2 VAL 71 HG12 VAL 71 -5.592 -5.968 -5.968 549 2HG2 VAL 71 HG11 VAL 71 -7.003 -6.629 -6.629 550 3HG2 VAL 71 HG13 VAL 71 -7.212 -5.582 -5.582 551 H GLN 72 HN GLN 72 -4.510 -10.020 -10.020 552 HA GLN 72 HA GLN 72 -3.026 -8.514 -8.514 553 1HB GLN 72 HB1 GLN 72 -2.442 -11.361 -11.361 554 2HB GLN 72 HB2 GLN 72 -1.458 -10.295 -10.295 555 1HG GLN 72 HG1 GLN 72 -0.483 -9.339 -9.339 556 2HG GLN 72 HG2 GLN 72 -1.986 -9.273 -9.273 557 1HE2 GLN 72 HE22 GLN 72 0.410 -11.569 -11.569 558 2HE2 GLN 72 HE21 GLN 72 0.450 -9.919 -9.919 559 H ASP 73 HN ASP 73 -3.090 -9.333 -9.333 560 HA ASP 73 HA ASP 73 -4.916 -11.477 -11.477 561 1HB ASP 73 HB2 ASP 73 -5.928 -9.547 -9.547 562 2HB ASP 73 HB1 ASP 73 -5.708 -8.658 -8.658 563 H ALA 74 HN ALA 74 -5.252 -11.236 -11.236 564 HA ALA 74 HA ALA 74 -4.267 -11.393 -11.393 565 1HB ALA 74 HB2 ALA 74 -3.496 -9.033 -9.033 566 2HB ALA 74 HB1 ALA 74 -1.933 -9.791 -9.791 567 3HB ALA 74 HB3 ALA 74 -2.641 -9.850 -9.850 568 H SER 75 HN SER 75 -1.560 -11.354 -11.354 569 HA SER 75 HA SER 75 -1.045 -14.131 -14.131 570 1HB SER 75 HB2 SER 75 -0.064 -12.641 -12.641 571 2HB SER 75 HB1 SER 75 1.335 -12.878 -12.878 572 HG SER 75 HG SER 75 0.486 -15.183 -15.183 573 H GLY 76 HN GLY 76 -1.314 -12.117 -12.117 574 1HA GLY 76 HA1 GLY 76 -0.352 -12.084 -12.084 575 2HA GLY 76 HA2 GLY 76 1.138 -12.718 -12.718 576 H THR 77 HN THR 77 -0.899 -9.799 -9.799 577 HA THR 77 HA THR 77 1.364 -8.131 -8.131 578 HB THR 77 HB THR 77 0.834 -6.717 -6.717 579 HG1 THR 77 HG1 THR 77 -0.094 -9.296 -9.296 580 1HG2 THR 77 HG22 THR 77 2.912 -8.256 -8.256 581 2HG2 THR 77 HG21 THR 77 2.280 -9.174 -9.174 582 3HG2 THR 77 HG23 THR 77 2.722 -7.479 -7.479 583 H SER 78 HN SER 78 0.361 -7.104 -7.104 584 HA SER 78 HA SER 78 -2.389 -6.382 -6.382 585 1HB SER 78 HB1 SER 78 -2.091 -5.775 -5.775 586 2HB SER 78 HB2 SER 78 -0.614 -6.718 -6.718 587 HG SER 78 HG SER 78 0.426 -4.700 -4.700 588 HA PRO 79 HA PRO 79 -2.769 -2.201 -2.201 589 1HB PRO 79 HB1 PRO 79 -2.298 -1.050 -1.050 590 2HB PRO 79 HB2 PRO 79 -3.613 -0.743 -0.743 591 1HG PRO 79 HG2 PRO 79 -3.995 -2.281 -2.281 592 2HG PRO 79 HG1 PRO 79 -4.751 -2.674 -2.674 593 1HD PRO 79 HD2 PRO 79 -2.420 -3.937 -3.937 594 2HD PRO 79 HD1 PRO 79 -3.662 -4.671 -4.671 595 H VAL 80 HN VAL 80 -0.309 -2.137 -2.137 596 HA VAL 80 HA VAL 80 1.250 -0.088 -0.088 597 HB VAL 80 HB VAL 80 3.085 -1.080 -1.080 598 1HG1 VAL 80 HG22 VAL 80 1.141 0.470 0.470 599 2HG1 VAL 80 HG21 VAL 80 0.602 -0.960 -0.960 600 3HG1 VAL 80 HG23 VAL 80 2.195 -0.274 -0.274 601 1HG2 VAL 80 HG13 VAL 80 2.441 -3.427 -3.427 602 2HG2 VAL 80 HG12 VAL 80 2.558 -2.951 -2.951 603 3HG2 VAL 80 HG11 VAL 80 0.977 -3.112 -3.112 604 H HIS 81 HN HIS 81 1.476 -3.602 -3.602 605 HA HIS 81 HA HIS 81 3.842 -3.635 -3.635 606 1HB HIS 81 HB1 HIS 81 1.501 -5.525 -5.525 607 2HB HIS 81 HB2 HIS 81 2.881 -5.847 -5.847 608 HD2 HIS 81 HD2 HIS 81 5.006 -4.665 -4.665 609 HE1 HIS 81 HE1 HIS 81 3.636 -8.214 -8.214 610 HE2 HIS 81 HE2 HIS 81 5.332 -6.332 -6.332 611 H ASP 82 HN ASP 82 0.499 -3.101 -3.101 612 HA ASP 82 HA ASP 82 0.940 -3.292 -3.292 613 1HB ASP 82 HB1 ASP 82 -1.310 -1.859 -1.859 614 2HB ASP 82 HB2 ASP 82 -1.281 -3.597 -3.597 615 H ALA 83 HN ALA 83 0.483 -0.530 -0.530 616 HA ALA 83 HA ALA 83 0.945 1.430 1.430 617 1HB ALA 83 HB1 ALA 83 0.200 1.394 1.394 618 2HB ALA 83 HB3 ALA 83 1.530 2.531 2.531 619 3HB ALA 83 HB2 ALA 83 0.057 2.707 2.707 620 H ALA 84 HN ALA 84 3.031 -0.646 -0.646 621 HA ALA 84 HA ALA 84 5.312 1.059 1.059 622 1HB ALA 84 HB2 ALA 84 4.790 -1.849 -1.849 623 2HB ALA 84 HB1 ALA 84 6.456 -1.322 -1.322 624 3HB ALA 84 HB3 ALA 84 5.524 -0.700 -0.700 625 H ARG 85 HN ARG 85 4.238 -1.365 -1.365 626 HA ARG 85 HA ARG 85 6.514 -1.302 -1.302 627 1HB ARG 85 HB2 ARG 85 3.666 -2.119 -2.119 628 2HB ARG 85 HB1 ARG 85 4.710 -1.990 -1.990 629 1HG ARG 85 HG1 ARG 85 4.939 -3.840 -3.840 630 2HG ARG 85 HG2 ARG 85 4.846 -4.229 -4.229 631 1HD ARG 85 HD1 ARG 85 7.094 -2.726 -2.726 632 2HD ARG 85 HD2 ARG 85 7.163 -3.473 -3.473 633 HE ARG 85 HE ARG 85 6.629 -5.335 -5.335 634 1HH1 ARG 85 HH21 ARG 85 9.107 -3.663 -3.663 635 2HH1 ARG 85 HH22 ARG 85 10.331 -4.843 -4.843 636 1HH2 ARG 85 HH11 ARG 85 8.232 -6.895 -6.895 637 2HH2 ARG 85 HH12 ARG 85 9.832 -6.679 -6.679 638 H THR 86 HN THR 86 3.376 0.330 0.330 639 HA THR 86 HA THR 86 4.394 1.929 1.929 640 HB THR 86 HB THR 86 2.246 2.654 2.654 641 HG1 THR 86 HG1 THR 86 1.841 2.580 2.580 642 1HG2 THR 86 HG23 THR 86 2.273 0.078 0.078 643 2HG2 THR 86 HG22 THR 86 1.236 0.684 0.684 644 3HG2 THR 86 HG21 THR 86 0.793 0.950 0.950 645 H GLY 87 HN GLY 87 4.328 2.185 2.185 646 1HA GLY 87 HA2 GLY 87 5.821 3.710 3.710 647 2HA GLY 87 HA1 GLY 87 5.529 4.862 4.862 648 H PHE 88 HN PHE 88 3.066 5.346 5.346 649 HA PHE 88 HA PHE 88 1.564 6.824 6.824 650 1HB PHE 88 HB2 PHE 88 1.073 4.128 4.128 651 2HB PHE 88 HB1 PHE 88 -0.046 5.481 5.481 652 HD1 PHE 88 HD1 PHE 88 0.274 6.576 6.576 653 HD2 PHE 88 HD2 PHE 88 -0.262 2.608 2.608 654 HE1 PHE 88 HE1 PHE 88 -0.778 5.936 5.936 655 HE2 PHE 88 HE2 PHE 88 -1.312 1.959 1.959 656 HZ PHE 88 HZ PHE 88 -1.550 3.635 3.635 657 H LEU 89 HN LEU 89 4.068 7.052 7.052 658 HA LEU 89 HA LEU 89 4.208 6.828 6.828 659 1HB LEU 89 HB2 LEU 89 6.088 7.505 7.505 660 2HB LEU 89 HB1 LEU 89 5.305 9.033 9.033 661 HG LEU 89 HG LEU 89 7.191 8.904 8.904 662 1HD1 LEU 89 HD12 LEU 89 5.430 10.764 10.764 663 2HD1 LEU 89 HD11 LEU 89 4.791 10.364 10.364 664 3HD1 LEU 89 HD13 LEU 89 6.459 10.912 10.912 665 1HD2 LEU 89 HD22 LEU 89 5.812 7.034 7.034 666 2HD2 LEU 89 HD21 LEU 89 6.620 8.259 8.259 667 3HD2 LEU 89 HD23 LEU 89 4.890 8.381 8.381 668 H ASP 90 HN ASP 90 2.733 9.447 9.447 669 HA ASP 90 HA ASP 90 2.195 11.205 11.205 670 1HB ASP 90 HB1 ASP 90 0.616 12.257 12.257 671 2HB ASP 90 HB2 ASP 90 0.352 10.772 10.772 672 H THR 91 HN THR 91 -0.141 8.946 8.946 673 HA THR 91 HA THR 91 -1.986 9.208 9.208 674 HB THR 91 HB THR 91 -2.309 6.797 6.797 675 HG1 THR 91 HG1 THR 91 -2.018 9.285 9.285 676 1HG2 THR 91 HG22 THR 91 -4.106 8.041 8.041 677 2HG2 THR 91 HG21 THR 91 -3.991 9.281 9.281 678 3HG2 THR 91 HG23 THR 91 -4.466 7.638 7.638 679 H LEU 92 HN LEU 92 0.284 6.655 6.655 680 HA LEU 92 HA LEU 92 -0.327 4.750 4.750 681 1HB LEU 92 HB1 LEU 92 1.233 4.279 4.279 682 2HB LEU 92 HB2 LEU 92 2.348 5.492 5.492 683 HG LEU 92 HG LEU 92 2.436 4.029 4.029 684 1HD1 LEU 92 HD23 LEU 92 0.513 2.601 2.601 685 2HD1 LEU 92 HD22 LEU 92 1.955 1.696 1.696 686 3HD1 LEU 92 HD21 LEU 92 1.577 1.953 1.953 687 1HD2 LEU 92 HD11 LEU 92 4.289 4.362 4.362 688 2HD2 LEU 92 HD13 LEU 92 4.252 2.722 2.722 689 3HD2 LEU 92 HD12 LEU 92 3.670 3.040 3.040 690 H LYS 93 HN LYS 93 1.793 7.561 7.561 691 HA LYS 93 HA LYS 93 2.885 7.155 7.155 692 1HB LYS 93 HB2 LYS 93 3.635 8.955 8.955 693 2HB LYS 93 HB1 LYS 93 2.062 9.733 9.733 694 1HG LYS 93 HG2 LYS 93 2.484 10.661 10.661 695 2HG LYS 93 HG1 LYS 93 3.404 9.268 9.268 696 1HD LYS 93 HD1 LYS 93 4.744 11.367 11.367 697 2HD LYS 93 HD2 LYS 93 5.346 9.960 9.960 698 1HE LYS 93 HE2 LYS 93 5.354 11.260 11.260 699 2HE LYS 93 HE1 LYS 93 3.597 11.126 11.126 700 1HZ LYS 93 HZ2 LYS 93 4.520 13.139 13.139 701 2HZ LYS 93 HZ1 LYS 93 5.064 13.431 13.431 702 3HZ LYS 93 HZ3 LYS 93 3.409 13.261 13.261 703 H VAL 94 HN VAL 94 -0.262 8.445 8.445 704 HA VAL 94 HA VAL 94 -1.098 9.420 9.420 705 HB VAL 94 HB VAL 94 -2.678 8.217 8.217 706 1HG1 VAL 94 HG22 VAL 94 -3.574 9.131 9.131 707 2HG1 VAL 94 HG21 VAL 94 -4.559 9.577 9.577 708 3HG1 VAL 94 HG23 VAL 94 -4.235 7.878 7.878 709 1HG2 VAL 94 HG12 VAL 94 -1.875 10.961 10.961 710 2HG2 VAL 94 HG11 VAL 94 -1.896 10.233 10.233 711 3HG2 VAL 94 HG13 VAL 94 -3.405 10.741 10.741 712 H LEU 95 HN LEU 95 -1.911 6.240 6.240 713 HA LEU 95 HA LEU 95 -2.918 5.235 5.235 714 1HB LEU 95 HB1 LEU 95 -3.090 3.096 3.096 715 2HB LEU 95 HB2 LEU 95 -3.775 4.410 4.410 716 HG LEU 95 HG LEU 95 -1.043 4.108 4.108 717 1HD1 LEU 95 HD22 LEU 95 -1.479 1.787 1.787 718 2HD1 LEU 95 HD21 LEU 95 -2.569 1.557 1.557 719 3HD1 LEU 95 HD23 LEU 95 -0.858 1.878 1.878 720 1HD2 LEU 95 HD12 LEU 95 -3.003 5.005 5.005 721 2HD2 LEU 95 HD11 LEU 95 -1.955 3.890 3.890 722 3HD2 LEU 95 HD13 LEU 95 -3.505 3.333 3.333 723 H VAL 96 HN VAL 96 0.159 5.075 5.075 724 HA VAL 96 HA VAL 96 1.270 3.031 3.031 725 HB VAL 96 HB VAL 96 2.400 4.934 4.934 726 1HG1 VAL 96 HG11 VAL 96 4.059 4.872 4.872 727 2HG1 VAL 96 HG13 VAL 96 4.060 3.109 3.109 728 3HG1 VAL 96 HG12 VAL 96 4.641 4.045 4.045 729 1HG2 VAL 96 HG22 VAL 96 2.329 1.931 1.931 730 2HG2 VAL 96 HG21 VAL 96 1.328 2.927 2.927 731 3HG2 VAL 96 HG23 VAL 96 3.067 2.820 2.820 732 H GLU 97 HN GLU 97 1.536 6.577 6.577 733 HA GLU 97 HA GLU 97 3.393 6.840 6.840 734 1HB GLU 97 HB2 GLU 97 2.695 9.122 9.122 735 2HB GLU 97 HB1 GLU 97 2.606 8.674 8.674 736 1HG GLU 97 HG2 GLU 97 0.230 8.632 8.632 737 2HG GLU 97 HG1 GLU 97 0.695 10.042 10.042 738 H HIS 98 HN HIS 98 -0.058 6.273 6.273 739 HA HIS 98 HA HIS 98 -0.390 6.826 6.826 740 1HB HIS 98 HB1 HIS 98 -2.361 6.999 6.999 741 2HB HIS 98 HB2 HIS 98 -2.075 5.468 5.468 742 HD2 HIS 98 HD2 HIS 98 -2.014 5.704 5.704 743 HE1 HIS 98 HE1 HIS 98 -5.403 3.488 3.488 744 HE2 HIS 98 HE2 HIS 98 -4.119 4.394 4.394 745 H GLY 99 HN GLY 99 -0.174 3.827 3.827 746 1HA GLY 99 HA1 GLY 99 1.235 2.485 2.485 747 2HA GLY 99 HA2 GLY 99 -0.432 1.946 1.946 748 H ALA 100 HN ALA 100 -1.118 1.353 1.353 749 HA ALA 100 HA ALA 100 -0.872 -0.457 -0.457 750 1HB ALA 100 HB3 ALA 100 -0.223 1.907 1.907 751 2HB ALA 100 HB2 ALA 100 1.306 1.066 1.066 752 3HB ALA 100 HB1 ALA 100 -0.185 0.411 0.411 753 H ASP 101 HN ASP 101 0.030 -2.042 -2.042 754 HA ASP 101 HA ASP 101 2.566 -2.464 -2.464 755 1HB ASP 101 HB2 ASP 101 1.359 -4.860 -4.860 756 2HB ASP 101 HB1 ASP 101 0.343 -4.016 -4.016 757 H VAL 102 HN VAL 102 4.224 -1.763 -1.763 758 HA VAL 102 HA VAL 102 4.450 -2.622 -2.622 759 HB VAL 102 HB VAL 102 6.648 -1.392 -1.392 760 1HG1 VAL 102 HG13 VAL 102 4.114 0.061 0.061 761 2HG1 VAL 102 HG12 VAL 102 5.576 0.857 0.857 762 3HG1 VAL 102 HG11 VAL 102 4.721 -0.283 -0.283 763 1HG2 VAL 102 HG21 VAL 102 6.084 -1.484 -1.484 764 2HG2 VAL 102 HG23 VAL 102 7.526 -0.889 -0.889 765 3HG2 VAL 102 HG22 VAL 102 6.171 0.199 0.199 766 H ASN 103 HN ASN 103 4.765 -4.361 -4.361 767 HA ASN 103 HA ASN 103 7.416 -5.469 -5.469 768 1HB ASN 103 HB2 ASN 103 5.451 -5.533 -5.533 769 2HB ASN 103 HB1 ASN 103 6.188 -7.102 -7.102 770 1HD2 ASN 103 HD22 ASN 103 8.374 -4.031 -4.031 771 2HD2 ASN 103 HD21 ASN 103 6.824 -3.759 -3.759 772 H ALA 104 HN ALA 104 4.100 -6.141 -6.141 773 HA ALA 104 HA ALA 104 4.078 -8.863 -8.863 774 1HB ALA 104 HB1 ALA 104 2.642 -6.586 -6.586 775 2HB ALA 104 HB3 ALA 104 2.480 -8.198 -8.198 776 3HB ALA 104 HB2 ALA 104 2.014 -7.911 -7.911 777 H LEU 105 HN LEU 105 4.265 -10.132 -10.132 778 HA LEU 105 HA LEU 105 5.966 -9.015 -9.015 779 1HB LEU 105 HB1 LEU 105 6.789 -11.696 -11.696 780 2HB LEU 105 HB2 LEU 105 7.761 -10.347 -10.347 781 HG LEU 105 HG LEU 105 6.502 -10.181 -10.181 782 1HD1 LEU 105 HD13 LEU 105 7.695 -12.461 -12.461 783 2HD1 LEU 105 HD12 LEU 105 9.165 -11.492 -11.492 784 3HD1 LEU 105 HD11 LEU 105 8.026 -11.546 -11.546 785 1HD2 LEU 105 HD21 LEU 105 7.733 -8.281 -8.281 786 2HD2 LEU 105 HD23 LEU 105 8.452 -8.863 -8.863 787 3HD2 LEU 105 HD22 LEU 105 9.180 -9.287 -9.287 788 H ASP 106 HN ASP 106 6.128 -10.454 -10.454 789 HA ASP 106 HA ASP 106 3.578 -11.689 -11.689 790 1HB ASP 106 HB1 ASP 106 5.975 -11.159 -11.159 791 2HB ASP 106 HB2 ASP 106 4.460 -10.263 -10.263 792 H SER 107 HN SER 107 6.535 -12.913 -12.913 793 HA SER 107 HA SER 107 6.057 -15.500 -15.500 794 1HB SER 107 HB1 SER 107 7.316 -15.461 -15.461 795 2HB SER 107 HB2 SER 107 6.237 -16.655 -16.655 796 HG SER 107 HG SER 107 5.626 -14.260 -14.260 797 H THR 108 HN THR 108 8.421 -13.304 -13.304 798 HA THR 108 HA THR 108 10.691 -14.873 -14.873 799 HB THR 108 HB THR 108 11.187 -12.024 -12.024 800 HG1 THR 108 HG1 THR 108 9.987 -11.714 -11.714 801 1HG2 THR 108 HG23 THR 108 12.056 -14.535 -14.535 802 2HG2 THR 108 HG22 THR 108 12.536 -12.920 -12.920 803 3HG2 THR 108 HG21 THR 108 12.996 -13.504 -13.504 804 H GLY 109 HN GLY 109 8.534 -13.201 -13.201 805 1HA GLY 109 HA2 GLY 109 8.543 -12.481 -12.481 806 2HA GLY 109 HA1 GLY 109 10.069 -13.337 -13.337 807 H SER 110 HN SER 110 9.809 -10.863 -10.863 808 HA SER 110 HA SER 110 11.719 -9.245 -9.245 809 1HB SER 110 HB2 SER 110 10.857 -8.543 -8.543 810 2HB SER 110 HB1 SER 110 12.443 -8.386 -8.386 811 HG SER 110 HG SER 110 12.910 -10.215 -10.215 812 H LEU 111 HN LEU 111 11.352 -7.173 -7.173 813 HA LEU 111 HA LEU 111 8.666 -6.372 -6.372 814 1HB LEU 111 HB1 LEU 111 11.016 -4.518 -4.518 815 2HB LEU 111 HB2 LEU 111 9.542 -4.535 -4.535 816 HG LEU 111 HG LEU 111 11.774 -6.565 -6.565 817 1HD1 LEU 111 HD13 LEU 111 11.435 -4.017 -4.017 818 2HD1 LEU 111 HD12 LEU 111 11.254 -5.255 -5.255 819 3HD1 LEU 111 HD11 LEU 111 12.716 -5.202 -5.202 820 1HD2 LEU 111 HD21 LEU 111 9.009 -6.573 -6.573 821 2HD2 LEU 111 HD23 LEU 111 10.138 -7.907 -7.907 822 3HD2 LEU 111 HD22 LEU 111 10.217 -6.931 -6.931 823 HA PRO 112 HA PRO 112 7.403 -3.903 -3.903 824 1HB PRO 112 HB2 PRO 112 7.414 -1.526 -1.526 825 2HB PRO 112 HB1 PRO 112 6.134 -2.129 -2.129 826 1HG PRO 112 HG1 PRO 112 6.011 -2.515 -2.515 827 2HG PRO 112 HG2 PRO 112 5.488 -3.777 -3.777 828 1HD PRO 112 HD2 PRO 112 7.977 -3.603 -3.603 829 2HD PRO 112 HD1 PRO 112 7.030 -5.029 -5.029 830 H ILE 113 HN ILE 113 9.924 -2.493 -2.493 831 HA ILE 113 HA ILE 113 10.886 -0.584 -0.584 832 HB ILE 113 HB ILE 113 11.620 -0.398 -0.398 833 1HG1 ILE 113 HG11 ILE 113 14.208 -1.394 -1.394 834 2HG1 ILE 113 HG12 ILE 113 13.377 -0.346 -0.346 835 1HG2 ILE 113 HG21 ILE 113 11.622 -3.155 -3.155 836 2HG2 ILE 113 HG23 ILE 113 13.326 -2.741 -2.741 837 3HG2 ILE 113 HG22 ILE 113 12.138 -2.109 -2.109 838 1HD1 ILE 113 HD13 ILE 113 13.148 1.330 1.330 839 2HD1 ILE 113 HD12 ILE 113 14.206 0.303 0.303 840 3HD1 ILE 113 HD11 ILE 113 14.801 1.015 1.015 841 H HIS 114 HN HIS 114 11.804 -3.968 -3.968 842 HA HIS 114 HA HIS 114 13.976 -4.137 -4.137 843 1HB HIS 114 HB1 HIS 114 11.877 -6.283 -6.283 844 2HB HIS 114 HB2 HIS 114 13.557 -6.516 -6.516 845 HD2 HIS 114 HD2 HIS 114 14.810 -7.610 -7.610 846 HE1 HIS 114 HE1 HIS 114 12.980 -5.298 -5.298 847 HE2 HIS 114 HE2 HIS 114 14.813 -6.970 -6.970 848 H LEU 115 HN LEU 115 10.528 -4.472 -4.472 849 HA LEU 115 HA LEU 115 10.903 -5.049 -5.049 850 1HB LEU 115 HB1 LEU 115 8.431 -3.650 -3.650 851 2HB LEU 115 HB2 LEU 115 8.634 -5.104 -5.104 852 HG LEU 115 HG LEU 115 8.705 -4.875 -4.875 853 1HD1 LEU 115 HD11 LEU 115 6.831 -6.146 -6.146 854 2HD1 LEU 115 HD13 LEU 115 6.845 -6.575 -6.575 855 3HD1 LEU 115 HD12 LEU 115 6.475 -4.922 -4.922 856 1HD2 LEU 115 HD22 LEU 115 10.275 -6.577 -6.577 857 2HD2 LEU 115 HD21 LEU 115 9.692 -6.873 -6.873 858 3HD2 LEU 115 HD23 LEU 115 8.824 -7.545 -7.545 859 H ALA 116 HN ALA 116 10.088 -2.054 -2.054 860 HA ALA 116 HA ALA 116 9.871 -0.345 -0.345 861 1HB ALA 116 HB2 ALA 116 9.583 0.032 0.032 862 2HB ALA 116 HB1 ALA 116 11.229 0.652 0.652 863 3HB ALA 116 HB3 ALA 116 9.929 1.378 1.378 864 H ILE 117 HN ILE 117 12.747 -1.361 -1.361 865 HA ILE 117 HA ILE 117 14.656 0.248 0.248 866 HB ILE 117 HB ILE 117 14.882 -2.575 -2.575 867 1HG1 ILE 117 HG12 ILE 117 16.050 -0.106 -0.106 868 2HG1 ILE 117 HG11 ILE 117 14.350 -0.494 -0.494 869 1HG2 ILE 117 HG22 ILE 117 16.961 -0.754 -0.754 870 2HG2 ILE 117 HG21 ILE 117 17.381 -1.934 -1.934 871 3HG2 ILE 117 HG23 ILE 117 16.698 -2.473 -2.473 872 1HD1 ILE 117 HD12 ILE 117 16.160 -2.732 -2.732 873 2HD1 ILE 117 HD11 ILE 117 16.393 -1.355 -1.355 874 3HD1 ILE 117 HD13 ILE 117 14.810 -2.123 -2.123 875 H ARG 118 HN ARG 118 13.263 -2.822 -2.822 876 HA ARG 118 HA ARG 118 14.964 -3.254 -3.254 877 1HB ARG 118 HB1 ARG 118 12.072 -4.082 -4.082 878 2HB ARG 118 HB2 ARG 118 13.435 -4.907 -4.907 879 1HG ARG 118 HG2 ARG 118 13.767 -4.608 -4.608 880 2HG ARG 118 HG1 ARG 118 12.296 -5.488 -5.488 881 1HD ARG 118 HD1 ARG 118 14.557 -6.330 -6.330 882 2HD ARG 118 HD2 ARG 118 14.874 -6.513 -6.513 883 HE ARG 118 HE ARG 118 13.030 -8.031 -8.031 884 1HH1 ARG 118 HH11 ARG 118 13.784 -6.918 -6.918 885 2HH1 ARG 118 HH12 ARG 118 12.937 -8.206 -8.206 886 1HH2 ARG 118 HH21 ARG 118 11.911 -9.735 -9.735 887 2HH2 ARG 118 HH22 ARG 118 11.872 -9.810 -9.810 888 H GLU 119 HN GLU 119 11.906 -1.511 -1.511 889 HA GLU 119 HA GLU 119 11.676 -0.885 -0.885 890 1HB GLU 119 HB2 GLU 119 10.396 0.641 0.641 891 2HB GLU 119 HB1 GLU 119 9.803 0.405 0.405 892 1HG GLU 119 HG2 GLU 119 8.565 -1.261 -1.261 893 2HG GLU 119 HG1 GLU 119 10.053 -2.161 -2.161 894 H GLY 120 HN GLY 120 12.505 1.102 1.102 895 1HA GLY 120 HA2 GLY 120 14.225 2.701 2.701 896 2HA GLY 120 HA1 GLY 120 14.368 2.626 2.626 897 H HIS 121 HN HIS 121 11.667 3.352 3.352 898 HA HIS 121 HA HIS 121 10.815 5.518 5.518 899 1HB HIS 121 HB2 HIS 121 9.663 3.929 3.929 900 2HB HIS 121 HB1 HIS 121 9.366 5.643 5.643 901 HD2 HIS 121 HD2 HIS 121 8.200 2.762 2.762 902 HE1 HIS 121 HE1 HIS 121 6.260 6.302 6.302 903 HE2 HIS 121 HE2 HIS 121 6.238 3.768 3.768 904 H SER 122 HN SER 122 13.098 5.225 5.225 905 HA SER 122 HA SER 122 14.400 6.757 6.757 906 1HB SER 122 HB2 SER 122 14.727 8.452 8.452 907 2HB SER 122 HB1 SER 122 13.088 8.310 8.310 908 HG SER 122 HG SER 122 14.050 10.203 10.203 909 H SER 123 HN SER 123 11.296 8.498 8.498 910 HA SER 123 HA SER 123 11.373 9.231 9.231 911 1HB SER 123 HB2 SER 123 9.861 9.952 9.952 912 2HB SER 123 HB1 SER 123 8.690 9.194 9.194 913 HG SER 123 HG SER 123 10.516 11.153 11.153 914 H VAL 124 HN VAL 124 9.887 6.555 6.555 915 HA VAL 124 HA VAL 124 8.345 5.626 5.626 916 HB VAL 124 HB VAL 124 9.205 4.085 4.085 917 1HG1 VAL 124 HG13 VAL 124 8.018 3.154 3.154 918 2HG1 VAL 124 HG12 VAL 124 6.639 3.456 3.456 919 3HG1 VAL 124 HG11 VAL 124 7.937 2.385 2.385 920 1HG2 VAL 124 HG23 VAL 124 7.880 6.318 6.318 921 2HG2 VAL 124 HG22 VAL 124 7.383 4.887 4.887 922 3HG2 VAL 124 HG21 VAL 124 6.519 5.348 5.348 923 H VAL 125 HN VAL 125 11.164 4.237 4.237 924 HA VAL 125 HA VAL 125 11.765 2.246 2.246 925 HB VAL 125 HB VAL 125 13.911 2.112 2.112 926 1HG1 VAL 125 HG23 VAL 125 11.722 1.965 1.965 927 2HG1 VAL 125 HG22 VAL 125 12.499 3.312 3.312 928 3HG1 VAL 125 HG21 VAL 125 13.331 1.764 1.764 929 1HG2 VAL 125 HG13 VAL 125 13.526 5.001 5.001 930 2HG2 VAL 125 HG12 VAL 125 14.787 4.284 4.284 931 3HG2 VAL 125 HG11 VAL 125 14.771 3.993 3.993 932 H SER 126 HN SER 126 12.913 5.609 5.609 933 HA SER 126 HA SER 126 14.540 5.313 5.313 934 1HB SER 126 HB2 SER 126 15.015 7.597 7.597 935 2HB SER 126 HB1 SER 126 14.694 7.099 7.099 936 HG SER 126 HG SER 126 13.101 8.616 8.616 937 H PHE 127 HN PHE 127 11.218 6.096 6.096 938 HA PHE 127 HA PHE 127 10.710 7.211 7.211 939 1HB PHE 127 HB2 PHE 127 9.207 7.830 7.830 940 2HB PHE 127 HB1 PHE 127 8.910 6.151 6.151 941 HD1 PHE 127 HD2 PHE 127 8.766 8.089 8.089 942 HD2 PHE 127 HD1 PHE 127 6.760 5.508 5.508 943 HE1 PHE 127 HE2 PHE 127 6.798 8.053 8.053 944 HE2 PHE 127 HE1 PHE 127 4.786 5.468 5.468 945 HZ PHE 127 HZ PHE 127 4.801 6.737 6.737 946 H LEU 128 HN LEU 128 10.233 4.029 4.029 947 HA LEU 128 HA LEU 128 9.012 2.834 2.834 948 1HB LEU 128 HB1 LEU 128 9.516 2.103 2.103 949 2HB LEU 128 HB2 LEU 128 10.536 1.014 1.014 950 HG LEU 128 HG LEU 128 8.368 0.000 0.000 951 1HD1 LEU 128 HD13 LEU 128 9.635 -0.357 -0.357 952 2HD1 LEU 128 HD12 LEU 128 8.428 0.696 0.696 953 3HD1 LEU 128 HD11 LEU 128 7.931 -0.813 -0.813 954 1HD2 LEU 128 HD21 LEU 128 7.396 2.587 2.587 955 2HD2 LEU 128 HD23 LEU 128 6.480 1.162 1.162 956 3HD2 LEU 128 HD22 LEU 128 6.714 1.518 1.518 957 H ALA 129 HN ALA 129 12.180 3.827 3.827 958 HA ALA 129 HA ALA 129 13.727 1.854 1.854 959 1HB ALA 129 HB1 ALA 129 14.084 4.546 4.546 960 2HB ALA 129 HB3 ALA 129 14.782 4.365 4.365 961 3HB ALA 129 HB2 ALA 129 15.306 3.310 3.310 962 HA PRO 130 HA PRO 130 13.258 4.007 4.007 963 1HB PRO 130 HB1 PRO 130 11.382 6.002 6.002 964 2HB PRO 130 HB2 PRO 130 13.100 6.281 6.281 965 1HG PRO 130 HG2 PRO 130 10.823 6.181 6.181 966 2HG PRO 130 HG1 PRO 130 12.209 7.287 7.287 967 1HD PRO 130 HD2 PRO 130 12.096 5.203 5.203 968 2HD PRO 130 HD1 PRO 130 13.626 5.756 5.756 969 H GLU 131 HN GLU 131 10.053 4.595 4.595 970 HA GLU 131 HA GLU 131 8.395 3.691 3.691 971 1HB GLU 131 HB1 GLU 131 8.004 2.758 2.758 972 2HB GLU 131 HB2 GLU 131 6.779 3.209 3.209 973 1HG GLU 131 HG2 GLU 131 6.873 5.359 5.359 974 2HG GLU 131 HG1 GLU 131 8.636 5.367 5.367 975 H SER 132 HN SER 132 10.512 1.704 1.704 976 HA SER 132 HA SER 132 9.390 -0.736 -0.736 977 1HB SER 132 HB2 SER 132 11.261 -0.219 -0.219 978 2HB SER 132 HB1 SER 132 11.094 -1.828 -1.828 979 HG SER 132 HG SER 132 9.284 -2.035 -2.035 980 H ASP 133 HN ASP 133 10.361 -1.805 -1.805 981 HA ASP 133 HA ASP 133 12.199 -0.871 -0.871 982 1HB ASP 133 HB1 ASP 133 12.944 -3.418 -3.418 983 2HB ASP 133 HB2 ASP 133 11.546 -3.652 -3.652 984 H LEU 134 HN LEU 134 13.881 0.304 0.304 985 HA LEU 134 HA LEU 134 15.574 -0.479 -0.479 986 1HB LEU 134 HB1 LEU 134 15.525 1.588 1.588 987 2HB LEU 134 HB2 LEU 134 17.144 1.113 1.113 988 HG LEU 134 HG LEU 134 15.011 2.397 2.397 989 1HD1 LEU 134 HD11 LEU 134 17.469 3.195 3.195 990 2HD1 LEU 134 HD13 LEU 134 17.587 3.386 3.386 991 3HD1 LEU 134 HD12 LEU 134 16.283 4.174 4.174 992 1HD2 LEU 134 HD22 LEU 134 17.196 0.586 0.586 993 2HD2 LEU 134 HD21 LEU 134 15.574 0.811 0.811 994 3HD2 LEU 134 HD23 LEU 134 16.825 2.013 2.013 995 H HIS 135 HN HIS 135 17.711 -1.287 -1.287 996 HA HIS 135 HA HIS 135 19.476 -2.554 -2.554 997 1HB HIS 135 HB1 HIS 135 19.096 -1.104 -1.104 998 2HB HIS 135 HB2 HIS 135 18.473 -2.614 -2.614 999 HD2 HIS 135 HD2 HIS 135 21.812 -0.928 -0.928 1000 HE1 HIS 135 HE1 HIS 135 22.626 -4.822 -4.822 1001 HE2 HIS 135 HE2 HIS 135 23.612 -2.540 -2.540 1002 H HIS 136 HN HIS 136 16.524 -3.458 -3.458 1003 HA HIS 136 HA HIS 136 16.770 -6.133 -6.133 1004 1HB HIS 136 HB2 HIS 136 14.670 -4.751 -4.751 1005 2HB HIS 136 HB1 HIS 136 14.332 -4.975 -4.975 1006 HD2 HIS 136 HD2 HIS 136 12.736 -7.058 -7.058 1007 HE1 HIS 136 HE1 HIS 136 13.755 -9.305 -9.305 1008 HE2 HIS 136 HE2 HIS 136 12.179 -9.128 -9.128 1009 H ARG 137 HN ARG 137 15.850 -7.925 -7.925 1010 HA ARG 137 HA ARG 137 16.639 -7.539 -7.539 1011 1HB ARG 137 HB1 ARG 137 17.046 -10.226 -10.226 1012 2HB ARG 137 HB2 ARG 137 18.021 -9.345 -9.345 1013 1HG ARG 137 HG1 ARG 137 18.856 -7.926 -7.926 1014 2HG ARG 137 HG2 ARG 137 17.996 -8.987 -8.987 1015 1HD ARG 137 HD1 ARG 137 20.135 -9.862 -9.862 1016 2HD ARG 137 HD2 ARG 137 20.380 -9.572 -9.572 1017 HE ARG 137 HE ARG 137 19.142 -11.871 -11.871 1018 1HH1 ARG 137 HH21 ARG 137 19.467 -9.969 -9.969 1019 2HH1 ARG 137 HH22 ARG 137 19.020 -11.267 -11.267 1020 1HH2 ARG 137 HH11 ARG 137 18.553 -13.586 -13.586 1021 2HH2 ARG 137 HH12 ARG 137 18.502 -13.324 -13.324 1022 H ASP 138 HN ASP 138 16.053 -10.203 -10.203 1023 HA ASP 138 HA ASP 138 13.196 -10.490 -10.490 1024 1HB ASP 138 HB2 ASP 138 13.104 -9.263 -9.263 1025 2HB ASP 138 HB1 ASP 138 12.859 -10.941 -10.941 1026 H ALA 139 HN ALA 139 12.538 -12.554 -12.554 1027 HA ALA 139 HA ALA 139 13.700 -14.769 -14.769 1028 1HB ALA 139 HB3 ALA 139 11.811 -14.490 -14.490 1029 2HB ALA 139 HB2 ALA 139 12.416 -16.070 -16.070 1030 3HB ALA 139 HB1 ALA 139 11.494 -15.081 -15.081 1031 H SER 140 HN SER 140 14.838 -12.921 -12.921 1032 HA SER 140 HA SER 140 16.337 -15.120 -15.120 1033 1HB SER 140 HB1 SER 140 17.114 -13.028 -13.028 1034 2HB SER 140 HB2 SER 140 15.593 -13.865 -13.865 1035 HG SER 140 HG SER 140 15.488 -11.507 -11.507 1036 H GLY 141 HN GLY 141 16.802 -12.080 -12.080 1037 1HA GLY 141 HA2 GLY 141 18.582 -11.868 -11.868 1038 2HA GLY 141 HA1 GLY 141 19.544 -12.959 -12.959 1039 H LEU 142 HN LEU 142 17.949 -9.777 -9.777 1040 HA LEU 142 HA LEU 142 20.397 -8.582 -8.582 1041 1HB LEU 142 HB2 LEU 142 17.969 -8.750 -8.750 1042 2HB LEU 142 HB1 LEU 142 19.300 -7.641 -7.641 1043 HG LEU 142 HG LEU 142 19.523 -10.654 -10.654 1044 1HD1 LEU 142 HD11 LEU 142 19.451 -8.665 -8.665 1045 2HD1 LEU 142 HD13 LEU 142 19.927 -10.355 -10.355 1046 3HD1 LEU 142 HD12 LEU 142 18.287 -9.947 -9.947 1047 1HD2 LEU 142 HD22 LEU 142 21.482 -8.677 -8.677 1048 2HD2 LEU 142 HD21 LEU 142 21.724 -10.399 -10.399 1049 3HD2 LEU 142 HD23 LEU 142 21.677 -9.264 -9.264 1050 H THR 143 HN THR 143 20.538 -6.512 -6.512 1051 HA THR 143 HA THR 143 18.203 -5.319 -5.319 1052 HB THR 143 HB THR 143 19.824 -3.757 -3.757 1053 HG1 THR 143 HG1 THR 143 21.388 -4.666 -4.666 1054 1HG2 THR 143 HG22 THR 143 20.104 -6.667 -6.667 1055 2HG2 THR 143 HG21 THR 143 21.414 -5.680 -5.680 1056 3HG2 THR 143 HG23 THR 143 19.759 -5.416 -5.416 1057 HA PRO 144 HA PRO 144 17.103 -2.123 -2.123 1058 1HB PRO 144 HB2 PRO 144 18.190 0.054 0.054 1059 2HB PRO 144 HB1 PRO 144 16.500 -0.403 -0.403 1060 1HG PRO 144 HG2 PRO 144 18.326 -1.002 -1.002 1061 2HG PRO 144 HG1 PRO 144 16.555 -1.027 -1.027 1062 1HD PRO 144 HD2 PRO 144 18.032 -3.284 -3.284 1063 2HD PRO 144 HD1 PRO 144 16.475 -3.224 -3.224 1064 H LEU 145 HN LEU 145 20.250 -1.463 -1.463 1065 HA LEU 145 HA LEU 145 21.323 -0.076 -0.076 1066 1HB LEU 145 HB1 LEU 145 22.213 -0.926 -0.926 1067 2HB LEU 145 HB2 LEU 145 23.471 -1.164 -1.164 1068 HG LEU 145 HG LEU 145 22.091 1.424 1.424 1069 1HD1 LEU 145 HD12 LEU 145 24.040 0.372 0.372 1070 2HD1 LEU 145 HD11 LEU 145 25.034 0.942 0.942 1071 3HD1 LEU 145 HD13 LEU 145 24.069 2.087 2.087 1072 1HD2 LEU 145 HD23 LEU 145 23.162 0.643 0.643 1073 2HD2 LEU 145 HD22 LEU 145 22.590 2.235 2.235 1074 3HD2 LEU 145 HD21 LEU 145 24.282 1.795 1.795 1075 H GLU 146 HN GLU 146 21.492 -3.442 -3.442 1076 HA GLU 146 HA GLU 146 23.405 -4.412 -4.412 1077 1HB GLU 146 HB2 GLU 146 20.987 -5.632 -5.632 1078 2HB GLU 146 HB1 GLU 146 21.903 -6.561 -6.561 1079 1HG GLU 146 HG2 GLU 146 22.881 -7.223 -7.223 1080 2HG GLU 146 HG1 GLU 146 23.944 -5.905 -5.905 1081 H LEU 147 HN LEU 147 19.898 -4.808 -4.808 1082 HA LEU 147 HA LEU 147 20.047 -5.515 -5.515 1083 1HB LEU 147 HB2 LEU 147 18.028 -5.318 -5.318 1084 2HB LEU 147 HB1 LEU 147 17.781 -3.795 -3.795 1085 HG LEU 147 HG LEU 147 17.682 -5.073 -5.073 1086 1HD1 LEU 147 HD21 LEU 147 17.810 -7.396 -7.396 1087 2HD1 LEU 147 HD23 LEU 147 17.143 -7.526 -7.526 1088 3HD1 LEU 147 HD22 LEU 147 18.831 -7.072 -7.072 1089 1HD2 LEU 147 HD13 LEU 147 15.720 -4.443 -4.443 1090 2HD2 LEU 147 HD12 LEU 147 15.434 -5.400 -5.400 1091 3HD2 LEU 147 HD11 LEU 147 15.573 -6.197 -6.197 1092 H ALA 148 HN ALA 148 20.289 -2.389 -2.389 1093 HA ALA 148 HA ALA 148 19.902 -0.859 -0.859 1094 1HB ALA 148 HB2 ALA 148 20.689 -0.309 -0.309 1095 2HB ALA 148 HB1 ALA 148 21.251 0.840 0.840 1096 3HB ALA 148 HB3 ALA 148 19.526 0.517 0.517 1097 H ARG 149 HN ARG 149 22.437 -2.749 -2.749 1098 HA ARG 149 HA ARG 149 24.636 -1.307 -1.307 1099 1HB ARG 149 HB1 ARG 149 24.817 -2.963 -2.963 1100 2HB ARG 149 HB2 ARG 149 24.506 -4.242 -4.242 1101 1HG ARG 149 HG1 ARG 149 26.551 -3.955 -3.955 1102 2HG ARG 149 HG2 ARG 149 26.760 -2.321 -2.321 1103 1HD ARG 149 HD2 ARG 149 26.553 -3.996 -3.996 1104 2HD ARG 149 HD1 ARG 149 27.614 -4.833 -4.833 1105 HE ARG 149 HE ARG 149 28.625 -2.345 -2.345 1106 1HH1 ARG 149 HH11 ARG 149 27.741 -4.511 -4.511 1107 2HH1 ARG 149 HH12 ARG 149 28.937 -3.903 -3.903 1108 1HH2 ARG 149 HH21 ARG 149 30.205 -1.535 -1.535 1109 2HH2 ARG 149 HH22 ARG 149 30.335 -2.210 -2.210 1110 H GLN 150 HN GLN 150 22.790 -4.166 -4.166 1111 HA GLN 150 HA GLN 150 24.146 -4.475 -4.475 1112 1HB GLN 150 HB1 GLN 150 21.885 -5.823 -5.823 1113 2HB GLN 150 HB2 GLN 150 23.200 -6.480 -6.480 1114 1HG GLN 150 HG1 GLN 150 22.039 -6.335 -6.335 1115 2HG GLN 150 HG2 GLN 150 21.189 -4.877 -4.877 1116 1HE2 GLN 150 HE21 GLN 150 21.444 -8.199 -8.199 1117 2HE2 GLN 150 HE22 GLN 150 19.742 -8.466 -8.466 1118 H ARG 151 HN ARG 151 20.663 -4.238 -4.238 1119 HA ARG 151 HA ARG 151 20.668 -2.524 -2.524 1120 1HB ARG 151 HB2 ARG 151 18.419 -3.558 -3.558 1121 2HB ARG 151 HB1 ARG 151 18.183 -2.613 -2.613 1122 1HG ARG 151 HG1 ARG 151 18.487 -4.383 -4.383 1123 2HG ARG 151 HG2 ARG 151 19.904 -4.920 -4.920 1124 1HD ARG 151 HD2 ARG 151 18.435 -5.892 -5.892 1125 2HD ARG 151 HD1 ARG 151 17.026 -5.371 -5.371 1126 HE ARG 151 HE ARG 151 18.576 -6.909 -6.909 1127 1HH1 ARG 151 HH21 ARG 151 16.844 -7.327 -7.327 1128 2HH1 ARG 151 HH22 ARG 151 16.496 -8.999 -8.999 1129 1HH2 ARG 151 HH11 ARG 151 18.120 -9.110 -9.110 1130 2HH2 ARG 151 HH12 ARG 151 17.221 -10.012 -10.012 1131 H GLY 152 HN GLY 152 22.028 -1.104 -1.104 1132 1HA GLY 152 HA2 GLY 152 20.349 0.578 0.578 1133 2HA GLY 152 HA1 GLY 152 22.054 0.826 0.826 1134 H ALA 153 HN ALA 153 19.325 0.630 0.630 1135 HA ALA 153 HA ALA 153 19.986 2.428 2.428 1136 1HB ALA 153 HB2 ALA 153 17.739 1.175 1.175 1137 2HB ALA 153 HB1 ALA 153 17.237 2.682 2.682 1138 3HB ALA 153 HB3 ALA 153 17.744 2.678 2.678 1139 H GLN 154 HN GLN 154 19.787 4.722 4.722 1140 HA GLN 154 HA GLN 154 20.388 6.832 6.832 1141 1HB GLN 154 HB2 GLN 154 18.486 7.451 7.451 1142 2HB GLN 154 HB1 GLN 154 18.265 7.574 7.574 1143 1HG GLN 154 HG2 GLN 154 16.415 6.388 6.388 1144 2HG GLN 154 HG1 GLN 154 17.530 5.091 5.091 1145 1HE2 GLN 154 HE22 GLN 154 17.833 5.220 5.220 1146 2HE2 GLN 154 HE21 GLN 154 18.666 6.263 6.263 1147 H ASN 155 HN ASN 155 20.028 8.054 8.054 1148 HA ASN 155 HA ASN 155 22.324 6.987 6.987 1149 1HB ASN 155 HB2 ASN 155 20.968 9.448 9.448 1150 2HB ASN 155 HB1 ASN 155 20.849 8.875 8.875 1151 1HD2 ASN 155 HD22 ASN 155 24.034 10.811 10.811 1152 2HD2 ASN 155 HD21 ASN 155 22.406 11.059 11.059 1153 H LEU 156 HN LEU 156 20.389 4.960 4.960 1154 HA LEU 156 HA LEU 156 18.734 4.804 4.804 1155 1HB LEU 156 HB2 LEU 156 19.714 3.005 3.005 1156 2HB LEU 156 HB1 LEU 156 19.617 2.201 2.201 1157 HG LEU 156 HG LEU 156 17.404 3.428 3.428 1158 1HD1 LEU 156 HD12 LEU 156 18.280 0.756 0.756 1159 2HD1 LEU 156 HD11 LEU 156 16.564 1.049 1.049 1160 3HD1 LEU 156 HD13 LEU 156 17.238 1.268 1.268 1161 1HD2 LEU 156 HD23 LEU 156 17.641 3.239 3.239 1162 2HD2 LEU 156 HD22 LEU 156 16.616 4.274 4.274 1163 3HD2 LEU 156 HD21 LEU 156 16.144 2.602 2.602 1164 H MET 157 HN MET 157 21.972 3.395 3.395 1165 HA MET 157 HA MET 157 22.347 2.347 2.347 1166 1HB MET 157 HB1 MET 157 24.095 3.333 3.333 1167 2HB MET 157 HB2 MET 157 24.844 3.147 3.147 1168 1HG MET 157 HG1 MET 157 23.399 0.813 0.813 1169 2HG MET 157 HG2 MET 157 24.101 1.153 1.153 1170 1HE MET 157 HE1 MET 157 25.065 1.240 1.240 1171 2HE MET 157 HE3 MET 157 24.626 -0.409 -0.409 1172 3HE MET 157 HE2 MET 157 26.290 -0.029 -0.029 1173 H ASP 158 HN ASP 158 22.976 5.645 5.645 1174 HA ASP 158 HA ASP 158 23.949 6.536 6.536 1175 1HB ASP 158 HB1 ASP 158 22.920 8.294 8.294 1176 2HB ASP 158 HB2 ASP 158 24.516 7.549 7.549 1177 H ILE 159 HN ILE 159 20.842 6.554 6.554 1178 HA ILE 159 HA ILE 159 19.445 8.364 8.364 1179 HB ILE 159 HB ILE 159 18.669 5.854 5.854 1180 1HG1 ILE 159 HG12 ILE 159 17.496 8.575 8.575 1181 2HG1 ILE 159 HG11 ILE 159 19.121 8.236 8.236 1182 1HG2 ILE 159 HG21 ILE 159 17.248 5.922 5.922 1183 2HG2 ILE 159 HG23 ILE 159 16.751 7.559 7.559 1184 3HG2 ILE 159 HG22 ILE 159 16.332 6.214 6.214 1185 1HD1 ILE 159 HD11 ILE 159 16.827 6.445 6.445 1186 2HD1 ILE 159 HD13 ILE 159 17.149 7.920 7.920 1187 3HD1 ILE 159 HD12 ILE 159 18.367 6.649 6.649 1188 H LEU 160 HN LEU 160 19.833 4.879 4.879 1189 HA LEU 160 HA LEU 160 18.526 4.918 4.918 1190 1HB LEU 160 HB2 LEU 160 20.288 2.648 2.648 1191 2HB LEU 160 HB1 LEU 160 18.584 2.678 2.678 1192 HG LEU 160 HG LEU 160 19.825 2.971 2.971 1193 1HD1 LEU 160 HD13 LEU 160 17.913 1.019 1.019 1194 2HD1 LEU 160 HD12 LEU 160 18.193 1.120 1.120 1195 3HD1 LEU 160 HD11 LEU 160 19.520 0.702 0.702 1196 1HD2 LEU 160 HD23 LEU 160 17.332 4.094 4.094 1197 2HD2 LEU 160 HD22 LEU 160 18.222 4.423 4.423 1198 3HD2 LEU 160 HD21 LEU 160 17.122 3.043 3.043 1199 H GLN 161 HN GLN 161 21.761 5.390 5.390 1200 HA GLN 161 HA GLN 161 23.151 4.719 4.719 1201 1HB GLN 161 HB1 GLN 161 23.748 5.854 5.854 1202 2HB GLN 161 HB2 GLN 161 24.488 6.857 6.857 1203 1HG GLN 161 HG1 GLN 161 24.829 3.875 3.875 1204 2HG GLN 161 HG2 GLN 161 25.936 5.036 5.036 1205 1HE2 GLN 161 HE22 GLN 161 25.896 4.434 4.434 1206 2HE2 GLN 161 HE21 GLN 161 24.603 3.876 3.876 1207 H GLY 162 HN GLY 162 21.705 7.753 7.753 1208 1HA GLY 162 HA2 GLY 162 22.648 9.295 9.295 1209 2HA GLY 162 HA1 GLY 162 21.397 9.770 9.770 1210 H HIS 163 HN HIS 163 19.415 8.029 8.029 1211 HA HIS 163 HA HIS 163 18.172 8.853 8.853 1212 1HB HIS 163 HB1 HIS 163 17.391 6.403 6.403 1213 2HB HIS 163 HB2 HIS 163 16.349 7.457 7.457 1214 HD2 HIS 163 HD2 HIS 163 16.467 6.773 6.773 1215 HE1 HIS 163 HE1 HIS 163 16.549 11.004 11.004 1216 HE2 HIS 163 HE2 HIS 163 16.303 8.941 8.941 1217 H MET 164 HN MET 164 19.853 5.864 5.864 1218 HA MET 164 HA MET 164 19.223 4.477 4.477 1219 1HB MET 164 HB2 MET 164 19.956 3.314 3.314 1220 2HB MET 164 HB1 MET 164 21.528 4.093 4.093 1221 1HG MET 164 HG1 MET 164 22.279 2.501 2.501 1222 2HG MET 164 HG2 MET 164 20.956 2.773 2.773 1223 1HE MET 164 HE1 MET 164 21.335 1.682 1.682 1224 2HE MET 164 HE3 MET 164 20.523 0.120 0.120 1225 3HE MET 164 HE2 MET 164 19.573 1.602 1.602 1226 H MET 165 HN MET 165 19.635 6.287 6.287 1227 HA MET 165 HA MET 165 22.454 6.827 6.827 1228 1HB MET 165 HB2 MET 165 20.034 7.972 7.972 1229 2HB MET 165 HB1 MET 165 21.684 8.574 8.574 1230 1HG MET 165 HG2 MET 165 21.456 8.915 8.915 1231 2HG MET 165 HG1 MET 165 19.726 8.717 8.717 1232 1HE MET 165 HE2 MET 165 18.766 9.692 9.692 1233 2HE MET 165 HE1 MET 165 19.646 10.833 10.833 1234 3HE MET 165 HE3 MET 165 18.491 11.425 11.425 1235 H ILE 166 HN ILE 166 23.467 5.392 5.392 1236 HA ILE 166 HA ILE 166 22.014 4.277 4.277 1237 HB ILE 166 HB ILE 166 23.972 2.477 2.477 1238 1HG1 ILE 166 HG12 ILE 166 23.404 3.505 3.505 1239 2HG1 ILE 166 HG11 ILE 166 24.964 3.466 3.466 1240 1HG2 ILE 166 HG22 ILE 166 21.398 2.283 2.283 1241 2HG2 ILE 166 HG21 ILE 166 21.559 2.215 2.215 1242 3HG2 ILE 166 HG23 ILE 166 22.345 0.998 0.998 1243 1HD1 ILE 166 HD13 ILE 166 23.628 0.868 0.868 1244 2HD1 ILE 166 HD12 ILE 166 24.129 1.623 1.623 1245 3HD1 ILE 166 HD11 ILE 166 25.316 1.314 1.314 1246 HA PRO 167 HA PRO 167 25.324 7.047 7.047 1247 1HB PRO 167 HB1 PRO 167 23.526 6.537 6.537 1248 2HB PRO 167 HB2 PRO 167 24.274 8.047 8.047 1249 1HG PRO 167 HG2 PRO 167 21.691 7.574 7.574 1250 2HG PRO 167 HG1 PRO 167 22.690 8.400 8.400 1251 1HD PRO 167 HD2 PRO 167 21.673 5.597 5.597 1252 2HD PRO 167 HD1 PRO 167 21.939 6.689 6.689 1253 H MET 168 HN MET 168 23.804 4.701 4.701 1254 HA MET 168 HA MET 168 26.399 3.351 3.351 1255 1HB MET 168 HB2 MET 168 24.870 3.257 3.257 1256 2HB MET 168 HB1 MET 168 26.527 3.780 3.780 1257 1HG MET 168 HG1 MET 168 25.509 5.972 5.972 1258 2HG MET 168 HG2 MET 168 24.016 5.407 5.407 1259 1HE MET 168 HE2 MET 168 23.535 5.060 5.060 1260 2HE MET 168 HE1 MET 168 24.843 4.205 4.205 1261 3HE MET 168 HE3 MET 168 24.338 5.795 5.795
Contact the webmaster for help, if required. Sunday, June 2, 2024 7:29:24 PM GMT (wattos1)