REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1xs2_1_B DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.485 176.300 0.308 0.000 0.893 6 R CA 0.000 56.222 56.100 0.204 0.000 0.921 6 R CB 0.000 30.377 30.300 0.129 0.000 0.687 7 M N 1.193 120.907 119.600 0.190 0.000 2.163 7 M HA 0.403 4.882 4.480 -0.001 0.000 0.305 7 M C -0.225 176.225 176.300 0.251 0.000 1.166 7 M CA -0.010 55.374 55.300 0.139 0.000 1.132 7 M CB -0.049 32.529 32.600 -0.035 0.000 1.413 7 M HN 0.580 nan 8.290 nan 0.000 0.478 8 F N -0.589 119.430 119.950 0.115 0.000 2.540 8 F HA 0.735 5.261 4.527 -0.001 0.000 0.317 8 F C -0.809 175.078 175.800 0.145 0.000 1.104 8 F CA -1.219 56.868 58.000 0.146 0.000 0.913 8 F CB 1.143 40.265 39.000 0.203 0.000 1.170 8 F HN 0.484 nan 8.300 nan 0.000 0.450 9 K N 4.333 124.878 120.400 0.241 0.000 2.159 9 K HA 0.612 4.932 4.320 -0.001 0.000 0.266 9 K C -1.115 175.648 176.600 0.271 0.000 0.975 9 K CA -0.655 55.721 56.287 0.148 0.000 0.865 9 K CB 1.147 33.695 32.500 0.081 0.000 1.087 9 K HN 0.865 nan 8.250 nan 0.000 0.446 10 I N 4.888 125.626 120.570 0.279 0.000 2.306 10 I HA 0.112 4.281 4.170 -0.001 0.000 0.288 10 I C 0.507 176.738 176.117 0.191 0.000 1.036 10 I CA -0.199 61.265 61.300 0.274 0.000 1.221 10 I CB 1.350 39.535 38.000 0.308 0.000 1.385 10 I HN 0.794 nan 8.210 nan 0.000 0.472 11 E N 4.512 124.816 120.200 0.174 0.000 2.276 11 E HA 0.273 4.623 4.350 -0.001 0.000 0.193 11 E C 0.463 177.146 176.600 0.138 0.000 0.983 11 E CA 0.144 56.624 56.400 0.132 0.000 0.861 11 E CB 0.599 30.364 29.700 0.109 0.000 0.817 11 E HN 0.728 nan 8.360 nan 0.000 0.485 12 A N 0.581 123.513 122.820 0.187 0.000 2.606 12 A HA 0.787 5.107 4.320 -0.001 0.000 0.293 12 A C -1.661 176.074 177.584 0.252 0.000 1.082 12 A CA -0.308 51.851 52.037 0.203 0.000 0.685 12 A CB 1.769 20.865 19.000 0.161 0.000 1.284 12 A HN 0.076 nan 8.150 nan 0.000 0.408 13 A N 0.643 123.603 122.820 0.235 0.000 2.486 13 A HA 0.788 5.107 4.320 -0.001 0.000 0.300 13 A C -1.049 176.664 177.584 0.215 0.000 1.048 13 A CA -0.408 51.747 52.037 0.195 0.000 0.696 13 A CB 1.282 20.363 19.000 0.134 0.000 1.278 13 A HN 0.741 nan 8.150 nan 0.000 0.405 14 E N 1.027 121.324 120.200 0.162 0.000 2.222 14 E HA 0.556 4.906 4.350 -0.001 0.000 0.267 14 E C -1.351 175.309 176.600 0.100 0.000 0.884 14 E CA -0.447 56.039 56.400 0.143 0.000 0.764 14 E CB 2.465 32.247 29.700 0.137 0.000 1.169 14 E HN 0.565 nan 8.360 nan 0.000 0.413 15 I N 2.870 123.504 120.570 0.106 0.000 2.355 15 I HA 0.282 4.451 4.170 -0.001 0.000 0.288 15 I C -0.817 175.326 176.117 0.043 0.000 0.999 15 I CA -0.878 60.462 61.300 0.067 0.000 1.163 15 I CB 1.439 39.485 38.000 0.077 0.000 1.316 15 I HN 0.166 nan 8.210 nan 0.000 0.454 16 V N 7.379 127.305 119.914 0.021 0.000 2.409 16 V HA 0.378 4.498 4.120 -0.001 0.000 0.291 16 V C -0.111 175.977 176.094 -0.010 0.000 1.020 16 V CA -0.706 61.595 62.300 0.002 0.000 0.848 16 V CB 2.058 33.878 31.823 -0.006 0.000 0.990 16 V HN 0.363 nan 8.190 nan 0.000 0.430 17 V N 4.267 124.172 119.914 -0.015 0.000 2.370 17 V HA 0.811 4.930 4.120 -0.001 0.000 0.283 17 V C 0.433 176.506 176.094 -0.036 0.000 1.023 17 V CA -0.361 61.927 62.300 -0.020 0.000 0.857 17 V CB 1.480 33.296 31.823 -0.012 0.000 0.985 17 V HN 0.984 nan 8.190 nan 0.000 0.443 18 A N 5.556 128.349 122.820 -0.046 0.000 2.340 18 A HA 0.796 5.115 4.320 -0.001 0.000 0.331 18 A C -0.098 177.469 177.584 -0.030 0.000 1.140 18 A CA -0.839 51.159 52.037 -0.065 0.000 0.801 18 A CB 1.188 20.123 19.000 -0.110 0.000 1.234 18 A HN 0.698 nan 8.150 nan 0.000 0.469 19 R N 1.647 122.142 120.500 -0.009 0.000 2.278 19 R HA 0.288 4.628 4.340 -0.001 0.000 0.322 19 R C -1.551 174.847 176.300 0.164 0.000 1.058 19 R CA -0.581 55.570 56.100 0.086 0.000 0.991 19 R CB 0.835 31.164 30.300 0.049 0.000 1.140 19 R HN 0.566 nan 8.270 nan 0.000 0.518 20 L N 6.035 127.329 121.223 0.119 0.000 2.265 20 L HA 0.394 4.734 4.340 -0.001 0.000 0.288 20 L C -2.220 174.775 176.870 0.209 0.000 1.058 20 L CA -2.101 52.773 54.840 0.056 0.000 0.809 20 L CB 1.124 43.000 42.059 -0.306 0.000 1.179 20 L HN 0.341 nan 8.230 nan 0.000 0.429 21 P HA 0.170 nan 4.420 nan 0.000 0.280 21 P C -0.525 176.891 177.300 0.194 0.000 1.244 21 P CA -0.196 62.790 63.100 -0.191 0.000 0.784 21 P CB 0.722 32.262 31.700 -0.267 0.000 0.913 22 L N 1.996 123.280 121.223 0.101 0.000 2.475 22 L HA 0.311 4.651 4.340 -0.001 0.000 0.253 22 L C 1.401 178.291 176.870 0.033 0.000 1.198 22 L CA -0.594 54.294 54.840 0.081 0.000 0.814 22 L CB 0.031 42.064 42.059 -0.043 0.000 1.134 22 L HN 0.344 nan 8.230 nan 0.000 0.478 35 H N 0.425 119.552 119.070 0.095 0.000 2.797 35 H HA 0.710 5.266 4.556 -0.001 0.000 0.362 35 H C -1.116 174.306 175.328 0.156 0.000 1.183 35 H CA -0.868 55.261 56.048 0.136 0.000 1.197 35 H CB 2.220 32.040 29.762 0.097 0.000 1.835 35 H HN 0.088 nan 8.280 nan 0.000 0.567 36 K N 1.518 122.119 120.400 0.334 0.000 2.482 36 K HA 0.260 4.580 4.320 -0.001 0.000 0.251 36 K C -1.271 175.446 176.600 0.195 0.000 0.936 36 K CA -0.648 55.804 56.287 0.274 0.000 0.791 36 K CB 2.292 35.033 32.500 0.402 0.000 1.213 36 K HN 0.257 nan 8.250 nan 0.000 0.428 37 V N 4.232 124.221 119.914 0.125 0.000 2.439 37 V HA 0.130 4.250 4.120 -0.001 0.000 0.271 37 V C -0.151 175.973 176.094 0.049 0.000 1.040 37 V CA -0.461 61.880 62.300 0.068 0.000 1.002 37 V CB 1.056 32.906 31.823 0.044 0.000 1.000 37 V HN 0.396 nan 8.190 nan 0.000 0.477 38 V N 8.594 128.516 119.914 0.012 0.000 2.326 38 V HA 0.349 4.468 4.120 -0.001 0.000 0.281 38 V C -2.315 173.766 176.094 -0.022 0.000 1.015 38 V CA -1.742 60.549 62.300 -0.014 0.000 0.823 38 V CB 1.685 33.463 31.823 -0.074 0.000 1.009 38 V HN 0.742 nan 8.190 nan 0.000 0.436 39 P HA 0.468 nan 4.420 nan 0.000 0.293 39 P C -0.898 176.394 177.300 -0.013 0.000 1.300 39 P CA -0.204 62.890 63.100 -0.011 0.000 0.792 39 P CB 1.122 32.819 31.700 -0.005 0.000 0.925 40 L N 3.463 124.679 121.223 -0.011 0.000 2.342 40 L HA 0.599 4.938 4.340 -0.001 0.000 0.271 40 L C -0.114 176.757 176.870 0.002 0.000 1.008 40 L CA -1.189 53.646 54.840 -0.008 0.000 0.818 40 L CB 1.875 43.928 42.059 -0.010 0.000 1.296 40 L HN 0.217 nan 8.230 nan 0.000 0.427 41 L N 3.415 124.638 121.223 0.000 0.000 2.346 41 L HA 0.639 4.978 4.340 -0.001 0.000 0.276 41 L C -0.966 175.896 176.870 -0.013 0.000 1.006 41 L CA 0.001 54.843 54.840 0.004 0.000 0.817 41 L CB 1.600 43.663 42.059 0.007 0.000 1.272 41 L HN 0.382 nan 8.230 nan 0.000 0.421 42 I N 6.113 126.664 120.570 -0.032 0.000 2.418 42 I HA 0.384 4.553 4.170 -0.001 0.000 0.287 42 I C -0.930 175.079 176.117 -0.181 0.000 1.008 42 I CA -0.485 60.740 61.300 -0.126 0.000 1.104 42 I CB 1.588 39.502 38.000 -0.144 0.000 1.264 42 I HN 0.437 nan 8.210 nan 0.000 0.438 43 L N 5.715 126.824 121.223 -0.190 0.000 2.317 43 L HA 0.539 4.878 4.340 -0.001 0.000 0.281 43 L C -0.485 176.258 176.870 -0.211 0.000 1.024 43 L CA -0.722 54.048 54.840 -0.115 0.000 0.810 43 L CB 1.260 43.311 42.059 -0.013 0.000 1.240 43 L HN 0.501 nan 8.230 nan 0.000 0.427 44 H N 1.757 120.873 119.070 0.077 0.000 2.489 44 H HA 0.735 5.290 4.556 -0.001 0.000 0.343 44 H C -0.211 175.174 175.328 0.096 0.000 1.086 44 H CA -0.499 55.592 56.048 0.071 0.000 1.198 44 H CB 2.268 32.068 29.762 0.063 0.000 1.490 44 H HN 0.785 nan 8.280 nan 0.000 0.504 45 G N 1.025 109.952 108.800 0.212 0.000 2.632 45 G HA2 0.214 4.173 3.960 -0.001 0.000 0.292 45 G HA3 0.214 4.173 3.960 -0.001 0.000 0.292 45 G C -0.791 174.200 174.900 0.152 0.000 1.465 45 G CA -0.868 44.348 45.100 0.193 0.000 0.824 45 G HN 0.430 nan 8.290 nan 0.000 0.509 46 E N -0.798 119.488 120.200 0.144 0.000 2.403 46 E HA -0.281 4.068 4.350 -0.001 0.000 0.241 46 E C 1.519 178.168 176.600 0.082 0.000 1.201 46 E CA 1.912 58.380 56.400 0.114 0.000 0.721 46 E CB -1.579 28.203 29.700 0.137 0.000 1.245 46 E HN 2.469 nan 8.360 nan 0.000 0.392 47 G N -1.765 107.084 108.800 0.081 0.000 2.175 47 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.265 47 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.265 47 G C 0.549 175.491 174.900 0.069 0.000 0.979 47 G CA 1.309 46.448 45.100 0.065 0.000 0.663 47 G HN 0.985 nan 8.290 nan 0.000 0.533 48 V N -3.399 116.562 119.914 0.079 0.000 3.182 48 V HA 0.988 5.108 4.120 -0.001 0.000 0.311 48 V C -0.301 175.846 176.094 0.087 0.000 1.221 48 V CA -0.241 62.096 62.300 0.062 0.000 1.060 48 V CB 1.792 33.623 31.823 0.013 0.000 1.164 48 V HN 1.028 nan 8.190 nan 0.000 0.466 49 Q N 0.207 120.024 119.800 0.029 0.000 2.379 49 Q HA 0.789 5.128 4.340 -0.001 0.000 0.278 49 Q C -0.612 175.347 176.000 -0.068 0.000 1.068 49 Q CA -0.645 55.126 55.803 -0.053 0.000 0.816 49 Q CB 2.244 30.913 28.738 -0.116 0.000 1.387 49 Q HN 1.246 nan 8.270 nan 0.000 0.413 50 G N 0.708 109.454 108.800 -0.090 0.000 2.452 50 G HA2 0.613 4.573 3.960 -0.001 0.000 0.324 50 G HA3 0.613 4.573 3.960 -0.001 0.000 0.324 50 G C -1.121 173.763 174.900 -0.028 0.000 1.214 50 G CA -0.691 44.388 45.100 -0.034 0.000 0.947 50 G HN 0.413 nan 8.290 nan 0.000 0.478 51 V N 0.384 120.325 119.914 0.044 0.000 2.789 51 V HA 0.893 5.012 4.120 -0.001 0.000 0.311 51 V C 0.165 176.361 176.094 0.170 0.000 1.073 51 V CA -0.599 61.736 62.300 0.059 0.000 0.921 51 V CB 1.323 33.169 31.823 0.040 0.000 1.009 51 V HN 1.276 nan 8.190 nan 0.000 0.426 52 A N 2.852 125.715 122.820 0.072 0.000 2.566 52 A HA 0.902 5.221 4.320 -0.001 0.000 0.292 52 A C -1.095 176.472 177.584 -0.028 0.000 1.112 52 A CA -0.626 51.405 52.037 -0.011 0.000 0.707 52 A CB 2.069 20.986 19.000 -0.139 0.000 1.302 52 A HN 0.855 nan 8.150 nan 0.000 0.409 53 E N 0.589 120.751 120.200 -0.064 0.000 2.210 53 E HA 0.543 4.892 4.350 -0.001 0.000 0.266 53 E C 0.012 176.583 176.600 -0.048 0.000 0.883 53 E CA -0.658 55.722 56.400 -0.034 0.000 0.761 53 E CB 1.695 31.390 29.700 -0.008 0.000 1.156 53 E HN 0.968 nan 8.360 nan 0.000 0.412 54 G N 1.403 110.186 108.800 -0.028 0.000 2.415 54 G HA2 0.205 4.165 3.960 -0.001 0.000 0.269 54 G HA3 0.205 4.165 3.960 -0.001 0.000 0.269 54 G C 0.663 175.552 174.900 -0.019 0.000 1.209 54 G CA -0.009 45.077 45.100 -0.023 0.000 0.835 54 G HN 0.605 nan 8.290 nan 0.000 0.534 55 T N 0.344 114.885 114.554 -0.022 0.000 3.069 55 T HA 0.162 4.511 4.350 -0.001 0.000 0.252 55 T C 1.214 175.909 174.700 -0.008 0.000 1.053 55 T CA -0.342 61.742 62.100 -0.028 0.000 0.964 55 T CB -0.105 68.726 68.868 -0.061 0.000 1.005 55 T HN 0.523 nan 8.240 nan 0.000 0.532 56 M N 1.452 121.057 119.600 0.009 0.000 2.240 56 M HA 0.499 4.979 4.480 -0.001 0.000 0.333 56 M C -0.629 175.681 176.300 0.016 0.000 1.110 56 M CA 0.116 55.429 55.300 0.022 0.000 1.173 56 M CB 0.244 32.855 32.600 0.017 0.000 1.458 56 M HN 0.100 nan 8.290 nan 0.000 0.458 57 E N 1.335 121.546 120.200 0.019 0.000 2.259 57 E HA 0.643 4.992 4.350 -0.001 0.000 0.257 57 E C 0.883 177.488 176.600 0.009 0.000 0.998 57 E CA -0.576 55.834 56.400 0.016 0.000 0.866 57 E CB 1.234 30.946 29.700 0.020 0.000 1.220 57 E HN 0.762 nan 8.360 nan 0.000 0.415 58 A N 1.124 123.950 122.820 0.010 0.000 1.883 58 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 58 A C 0.863 178.446 177.584 -0.002 0.000 1.186 58 A CA 1.390 53.429 52.037 0.004 0.000 0.624 58 A CB -0.210 18.794 19.000 0.007 0.000 0.822 58 A HN 0.417 nan 8.150 nan 0.000 0.444 59 R N -0.739 119.759 120.500 -0.003 0.000 2.787 59 R HA 0.411 4.751 4.340 -0.001 0.000 0.271 59 R C -2.843 173.445 176.300 -0.020 0.000 0.993 59 R CA -2.187 53.906 56.100 -0.012 0.000 0.993 59 R CB 0.926 31.219 30.300 -0.010 0.000 1.155 59 R HN 0.078 nan 8.270 nan 0.000 0.486 60 P HA 0.141 nan 4.420 nan 0.000 0.256 60 P C -0.463 176.774 177.300 -0.105 0.000 1.689 60 P CA 0.166 63.223 63.100 -0.071 0.000 1.124 60 P CB 0.519 32.171 31.700 -0.080 0.000 1.766 61 M N 1.324 120.879 119.600 -0.075 0.000 2.906 61 M HA 0.038 4.518 4.480 -0.001 0.000 0.252 61 M C 1.873 178.108 176.300 -0.110 0.000 1.359 61 M CA 0.820 56.074 55.300 -0.077 0.000 1.239 61 M CB -0.328 32.262 32.600 -0.017 0.000 1.229 61 M HN 0.092 nan 8.290 nan 0.000 0.547 62 Y N 0.856 121.057 120.300 -0.164 0.000 2.206 62 Y HA 0.137 4.686 4.550 -0.001 0.000 0.292 62 Y C 1.443 177.166 175.900 -0.294 0.000 1.123 62 Y CA 1.290 59.285 58.100 -0.176 0.000 1.142 62 Y CB 0.323 38.724 38.460 -0.099 0.000 1.006 62 Y HN -0.044 nan 8.280 nan 0.000 0.518 63 R N -0.724 119.553 120.500 -0.372 0.000 3.288 63 R HA 0.136 4.475 4.340 -0.001 0.000 0.245 63 R C 1.210 177.306 176.300 -0.339 0.000 1.436 63 R CA 0.117 55.875 56.100 -0.569 0.000 1.036 63 R CB 0.605 30.657 30.300 -0.413 0.000 1.500 63 R HN 0.154 nan 8.270 nan 0.000 0.493 64 E N 0.748 120.810 120.200 -0.230 0.000 2.442 64 E HA 0.036 4.386 4.350 -0.001 0.000 0.195 64 E C -0.605 175.966 176.600 -0.048 0.000 1.030 64 E CA 0.727 57.055 56.400 -0.120 0.000 0.869 64 E CB 0.401 30.091 29.700 -0.016 0.000 0.857 64 E HN 0.403 nan 8.360 nan 0.000 0.505 65 E N 1.098 121.282 120.200 -0.026 0.000 2.283 65 E HA 0.312 4.661 4.350 -0.001 0.000 0.267 65 E C -0.327 176.268 176.600 -0.008 0.000 1.045 65 E CA -0.204 56.193 56.400 -0.004 0.000 0.884 65 E CB 1.403 31.113 29.700 0.016 0.000 1.106 65 E HN 0.244 nan 8.360 nan 0.000 0.408 66 T N -1.975 112.573 114.554 -0.010 0.000 2.901 66 T HA 0.387 4.736 4.350 -0.001 0.000 0.293 66 T C 1.089 175.782 174.700 -0.012 0.000 1.084 66 T CA -0.755 61.339 62.100 -0.010 0.000 1.008 66 T CB 0.683 69.542 68.868 -0.014 0.000 1.170 66 T HN 0.388 nan 8.240 nan 0.000 0.509 67 I N 1.103 121.668 120.570 -0.009 0.000 2.163 67 I HA -0.142 4.027 4.170 -0.001 0.000 0.243 67 I C 3.039 179.143 176.117 -0.020 0.000 1.085 67 I CA 1.878 63.172 61.300 -0.011 0.000 1.347 67 I CB -0.743 37.254 38.000 -0.005 0.000 1.044 67 I HN 0.891 nan 8.210 nan 0.000 0.408 68 A N 0.854 123.662 122.820 -0.020 0.000 1.933 68 A HA -0.123 4.197 4.320 -0.001 0.000 0.218 68 A C 2.418 179.977 177.584 -0.041 0.000 1.175 68 A CA 1.938 53.959 52.037 -0.027 0.000 0.628 68 A CB -1.344 17.642 19.000 -0.022 0.000 0.814 68 A HN 0.487 nan 8.150 nan 0.000 0.444 69 G N -0.732 108.043 108.800 -0.041 0.000 2.394 69 G HA2 0.082 4.041 3.960 -0.001 0.000 0.215 69 G HA3 0.082 4.041 3.960 -0.001 0.000 0.215 69 G C 1.733 176.584 174.900 -0.082 0.000 1.165 69 G CA 1.259 46.325 45.100 -0.057 0.000 0.784 69 G HN 0.753 nan 8.290 nan 0.000 0.535 70 A N 0.531 123.314 122.820 -0.061 0.000 1.898 70 A HA 0.157 4.477 4.320 -0.001 0.000 0.216 70 A C 2.405 179.935 177.584 -0.089 0.000 1.181 70 A CA 1.113 53.110 52.037 -0.067 0.000 0.620 70 A CB -0.353 18.632 19.000 -0.026 0.000 0.819 70 A HN 0.337 nan 8.150 nan 0.000 0.442 71 L N -0.789 120.394 121.223 -0.067 0.000 2.179 71 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 71 L C 2.318 179.131 176.870 -0.095 0.000 1.096 71 L CA 1.632 56.434 54.840 -0.063 0.000 0.779 71 L CB -0.599 41.441 42.059 -0.031 0.000 0.922 71 L HN 0.532 nan 8.230 nan 0.000 0.443 72 D N 0.470 120.810 120.400 -0.099 0.000 2.144 72 D HA -0.236 4.403 4.640 -0.001 0.000 0.199 72 D C 2.140 178.321 176.300 -0.197 0.000 0.984 72 D CA 0.852 54.782 54.000 -0.117 0.000 0.834 72 D CB 0.140 40.884 40.800 -0.094 0.000 0.955 72 D HN 0.090 nan 8.370 nan 0.000 0.465 73 L N 0.107 121.170 121.223 -0.266 0.000 2.093 73 L HA 0.005 4.345 4.340 -0.001 0.000 0.208 73 L C 2.036 178.572 176.870 -0.557 0.000 1.085 73 L CA 1.322 55.874 54.840 -0.481 0.000 0.755 73 L CB -0.424 41.290 42.059 -0.575 0.000 0.904 73 L HN 0.221 nan 8.230 nan 0.000 0.435 74 L N -0.503 120.520 121.223 -0.334 0.000 1.994 74 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 74 L C 2.827 179.571 176.870 -0.210 0.000 1.071 74 L CA 1.945 56.672 54.840 -0.190 0.000 0.745 74 L CB -0.556 41.453 42.059 -0.083 0.000 0.892 74 L HN 0.361 nan 8.230 nan 0.000 0.431 75 R N -0.227 120.133 120.500 -0.234 0.000 2.119 75 R HA -0.008 4.331 4.340 -0.001 0.000 0.222 75 R C 2.092 178.261 176.300 -0.218 0.000 1.088 75 R CA 1.218 57.121 56.100 -0.329 0.000 0.984 75 R CB -0.881 29.274 30.300 -0.241 0.000 0.884 75 R HN 0.242 nan 8.270 nan 0.000 0.447 76 G N -0.561 108.129 108.800 -0.182 0.000 2.551 76 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.216 76 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.216 76 G C 0.772 175.576 174.900 -0.160 0.000 1.137 76 G CA 0.987 46.000 45.100 -0.145 0.000 0.798 76 G HN 0.386 nan 8.290 nan 0.000 0.536 77 T N -0.767 113.649 114.554 -0.231 0.000 3.449 77 T HA 0.173 4.522 4.350 -0.001 0.000 0.268 77 T C 1.641 176.321 174.700 -0.033 0.000 0.996 77 T CA -0.280 61.679 62.100 -0.236 0.000 1.125 77 T CB -0.067 68.460 68.868 -0.567 0.000 1.172 77 T HN -0.019 nan 8.240 nan 0.000 0.430 78 F N 2.085 121.933 119.950 -0.170 0.000 2.163 78 F HA 0.271 4.797 4.527 -0.001 0.000 0.297 78 F C 2.157 177.915 175.800 -0.070 0.000 1.094 78 F CA 0.259 58.194 58.000 -0.109 0.000 1.290 78 F CB -1.142 37.795 39.000 -0.106 0.000 1.017 78 F HN 0.082 nan 8.300 nan 0.000 0.483 79 L N -0.338 120.937 121.223 0.087 0.000 2.044 79 L HA -0.120 4.219 4.340 -0.001 0.000 0.205 79 L C -0.264 176.629 176.870 0.038 0.000 1.075 79 L CA 1.220 56.073 54.840 0.023 0.000 0.747 79 L CB -2.015 39.983 42.059 -0.102 0.000 0.903 79 L HN 0.026 nan 8.230 nan 0.000 0.435 80 P HA -0.204 nan 4.420 nan 0.000 0.217 80 P C 1.279 178.625 177.300 0.076 0.000 1.148 80 P CA 1.804 64.929 63.100 0.043 0.000 0.828 80 P CB 0.014 31.727 31.700 0.022 0.000 0.783 81 A N -0.809 122.072 122.820 0.103 0.000 2.067 81 A HA -0.048 4.271 4.320 -0.001 0.000 0.217 81 A C 1.981 179.660 177.584 0.159 0.000 1.156 81 A CA 1.110 53.225 52.037 0.129 0.000 0.683 81 A CB -1.145 17.955 19.000 0.167 0.000 0.808 81 A HN 0.354 nan 8.150 nan 0.000 0.455 82 I N -4.148 116.524 120.570 0.171 0.000 3.939 82 I HA 0.333 4.503 4.170 -0.001 0.000 0.313 82 I C -0.006 176.258 176.117 0.245 0.000 1.274 82 I CA -0.252 61.222 61.300 0.290 0.000 1.301 82 I CB -0.038 38.063 38.000 0.168 0.000 1.105 82 I HN -0.072 nan 8.210 nan 0.000 0.427 83 L N 3.816 125.131 121.223 0.153 0.000 2.534 83 L HA 0.287 4.627 4.340 -0.001 0.000 0.271 83 L C 1.282 178.213 176.870 0.102 0.000 1.178 83 L CA 1.202 56.123 54.840 0.135 0.000 0.907 83 L CB 0.435 42.562 42.059 0.113 0.000 1.164 83 L HN 0.623 nan 8.230 nan 0.000 0.482 84 G N 1.622 110.479 108.800 0.095 0.000 2.194 84 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.236 84 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.236 84 G C 0.206 175.086 174.900 -0.032 0.000 0.987 84 G CA -0.556 44.566 45.100 0.037 0.000 0.635 84 G HN 0.479 nan 8.290 nan 0.000 0.520 85 Q N 0.662 120.424 119.800 -0.064 0.000 2.227 85 Q HA 0.640 4.979 4.340 -0.001 0.000 0.245 85 Q C -0.154 175.514 176.000 -0.553 0.000 0.926 85 Q CA 0.040 55.629 55.803 -0.357 0.000 0.895 85 Q CB 1.418 29.841 28.738 -0.525 0.000 1.230 85 Q HN 0.196 nan 8.270 nan 0.000 0.450 86 T N 2.184 116.316 114.554 -0.703 0.000 2.824 86 T HA 0.666 5.015 4.350 -0.001 0.000 0.280 86 T C -0.735 173.389 174.700 -0.960 0.000 0.995 86 T CA -0.209 61.539 62.100 -0.587 0.000 1.009 86 T CB 0.219 68.905 68.868 -0.304 0.000 0.955 86 T HN 0.232 nan 8.240 nan 0.000 0.452 87 F N 0.183 119.755 119.950 -0.630 0.000 2.588 87 F HA 0.614 5.141 4.527 -0.001 0.000 0.314 87 F C 0.911 176.230 175.800 -0.802 0.000 1.069 87 F CA -1.230 56.312 58.000 -0.763 0.000 0.931 87 F CB 1.574 39.961 39.000 -1.022 0.000 1.260 87 F HN 0.612 nan 8.300 nan 0.000 0.465 88 A N 1.341 123.951 122.820 -0.351 0.000 2.095 88 A HA 0.267 4.586 4.320 -0.001 0.000 0.212 88 A C -0.005 177.229 177.584 -0.584 0.000 1.162 88 A CA 0.883 52.726 52.037 -0.323 0.000 0.753 88 A CB -0.594 18.294 19.000 -0.188 0.000 0.840 88 A HN 0.826 nan 8.150 nan 0.000 0.468 89 N N -4.046 114.300 118.700 -0.590 0.000 3.227 89 N HA 0.268 5.007 4.740 -0.001 0.000 0.241 89 N C -3.149 172.008 175.510 -0.588 0.000 1.480 89 N CA -1.340 51.153 53.050 -0.929 0.000 0.886 89 N CB 0.207 38.215 38.487 -0.799 0.000 1.406 89 N HN -0.290 nan 8.380 nan 0.000 0.514 90 P HA -0.069 nan 4.420 nan 0.000 0.218 90 P C 0.431 177.483 177.300 -0.413 0.000 1.148 90 P CA 1.454 64.137 63.100 -0.695 0.000 0.822 90 P CB 0.256 31.043 31.700 -1.521 0.000 0.784 91 E N -0.312 119.698 120.200 -0.316 0.000 2.150 91 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 91 E C 2.134 178.653 176.600 -0.135 0.000 0.985 91 E CA 1.285 57.606 56.400 -0.130 0.000 0.814 91 E CB -1.008 28.668 29.700 -0.041 0.000 0.752 91 E HN 0.154 nan 8.360 nan 0.000 0.466 92 A N 0.485 123.206 122.820 -0.165 0.000 1.969 92 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 92 A C 2.396 179.928 177.584 -0.086 0.000 1.169 92 A CA 1.124 53.120 52.037 -0.069 0.000 0.635 92 A CB -0.553 18.435 19.000 -0.020 0.000 0.810 92 A HN 0.149 nan 8.150 nan 0.000 0.445 93 V N -0.122 119.561 119.914 -0.384 0.000 2.270 93 V HA -0.212 3.907 4.120 -0.001 0.000 0.245 93 V C 2.903 178.787 176.094 -0.352 0.000 1.043 93 V CA 2.338 64.213 62.300 -0.709 0.000 1.014 93 V CB -0.804 30.550 31.823 -0.781 0.000 0.645 93 V HN 0.727 nan 8.190 nan 0.000 0.447 94 S N 0.185 115.737 115.700 -0.247 0.000 2.399 94 S HA -0.288 4.182 4.470 -0.001 0.000 0.231 94 S C 1.822 176.343 174.600 -0.132 0.000 1.022 94 S CA 2.153 60.245 58.200 -0.180 0.000 0.983 94 S CB -0.539 62.602 63.200 -0.098 0.000 0.803 94 S HN 0.744 nan 8.310 nan 0.000 0.480 95 D N 0.673 121.021 120.400 -0.088 0.000 2.219 95 D HA 0.088 4.727 4.640 -0.001 0.000 0.205 95 D C 1.709 178.001 176.300 -0.013 0.000 0.970 95 D CA 1.065 55.041 54.000 -0.040 0.000 0.851 95 D CB -0.378 40.408 40.800 -0.022 0.000 0.943 95 D HN 0.496 nan 8.370 nan 0.000 0.488 96 A N -0.555 122.268 122.820 0.004 0.000 2.235 96 A HA 0.167 4.486 4.320 -0.001 0.000 0.208 96 A C 1.663 179.278 177.584 0.051 0.000 1.172 96 A CA 0.257 52.336 52.037 0.070 0.000 0.786 96 A CB -0.322 18.808 19.000 0.218 0.000 0.804 96 A HN 0.334 nan 8.150 nan 0.000 0.479 97 L N -2.297 118.908 121.223 -0.030 0.000 2.428 97 L HA 0.401 4.740 4.340 -0.001 0.000 0.190 97 L C 2.344 179.286 176.870 0.120 0.000 1.255 97 L CA 0.653 55.492 54.840 -0.002 0.000 0.848 97 L CB -1.192 40.606 42.059 -0.434 0.000 1.088 97 L HN 0.413 nan 8.230 nan 0.000 0.500 98 G N -0.056 108.768 108.800 0.040 0.000 4.148 98 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.221 98 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.221 98 G C 1.289 176.195 174.900 0.009 0.000 1.373 98 G CA 0.763 45.875 45.100 0.021 0.000 0.940 98 G HN 0.322 nan 8.290 nan 0.000 0.610 99 S N 0.526 116.174 115.700 -0.087 0.000 2.399 99 S HA 0.090 4.559 4.470 -0.001 0.000 0.231 99 S C 1.128 175.583 174.600 -0.243 0.000 1.022 99 S CA 1.417 59.460 58.200 -0.262 0.000 0.983 99 S CB -0.231 62.670 63.200 -0.498 0.000 0.803 99 S HN 0.587 nan 8.310 nan 0.000 0.480 100 Y N 1.615 121.977 120.300 0.103 0.000 2.326 100 Y HA 0.388 4.938 4.550 -0.001 0.000 0.333 100 Y C 1.058 177.020 175.900 0.104 0.000 1.240 100 Y CA -0.533 57.640 58.100 0.122 0.000 1.365 100 Y CB 0.441 39.026 38.460 0.208 0.000 1.289 100 Y HN -0.099 nan 8.280 nan 0.000 0.548 101 R N 0.840 121.475 120.500 0.224 0.000 2.474 101 R HA 0.492 4.831 4.340 -0.001 0.000 0.295 101 R C 0.619 177.004 176.300 0.141 0.000 0.980 101 R CA 0.025 56.208 56.100 0.138 0.000 0.934 101 R CB 1.375 31.728 30.300 0.088 0.000 1.101 101 R HN 0.971 nan 8.270 nan 0.000 0.469 102 G N 2.469 111.338 108.800 0.114 0.000 2.566 102 G HA2 -0.413 3.547 3.960 -0.001 0.000 0.280 102 G HA3 -0.413 3.547 3.960 -0.001 0.000 0.280 102 G C -0.220 174.757 174.900 0.129 0.000 1.225 102 G CA 0.206 45.369 45.100 0.104 0.000 0.966 102 G HN 0.875 nan 8.290 nan 0.000 0.560 103 N N -0.194 118.571 118.700 0.109 0.000 2.725 103 N HA -0.204 4.535 4.740 -0.001 0.000 0.251 103 N C 1.552 177.145 175.510 0.137 0.000 1.031 103 N CA 1.262 54.381 53.050 0.115 0.000 0.720 103 N CB -0.387 38.172 38.487 0.120 0.000 0.930 103 N HN 0.721 nan 8.380 nan 0.000 0.543 104 R N 0.341 120.901 120.500 0.099 0.000 2.092 104 R HA 0.019 4.359 4.340 -0.001 0.000 0.231 104 R C 2.296 178.635 176.300 0.065 0.000 1.119 104 R CA 1.384 57.531 56.100 0.078 0.000 0.970 104 R CB -0.066 30.270 30.300 0.060 0.000 0.864 104 R HN 0.394 nan 8.270 nan 0.000 0.440 105 M N -0.030 119.608 119.600 0.063 0.000 2.159 105 M HA -0.105 4.374 4.480 -0.001 0.000 0.263 105 M C 2.477 178.809 176.300 0.052 0.000 1.063 105 M CA 1.645 56.971 55.300 0.043 0.000 1.110 105 M CB -0.267 32.360 32.600 0.045 0.000 1.374 105 M HN 0.222 nan 8.290 nan 0.000 0.411 106 A N 0.425 123.301 122.820 0.094 0.000 1.929 106 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 106 A C 2.144 179.863 177.584 0.224 0.000 1.176 106 A CA 1.181 53.299 52.037 0.136 0.000 0.628 106 A CB -0.489 18.582 19.000 0.118 0.000 0.816 106 A HN 0.405 nan 8.150 nan 0.000 0.444 107 R N -0.413 120.222 120.500 0.225 0.000 2.096 107 R HA -0.070 4.269 4.340 -0.001 0.000 0.235 107 R C 2.356 178.643 176.300 -0.021 0.000 1.127 107 R CA 1.139 57.258 56.100 0.030 0.000 0.968 107 R CB -0.408 29.864 30.300 -0.047 0.000 0.861 107 R HN 0.500 nan 8.270 nan 0.000 0.440 108 A N 0.854 123.674 122.820 0.001 0.000 2.015 108 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 108 A C 2.099 179.651 177.584 -0.052 0.000 1.163 108 A CA 1.059 53.074 52.037 -0.038 0.000 0.646 108 A CB -0.326 18.639 19.000 -0.059 0.000 0.806 108 A HN 0.183 nan 8.150 nan 0.000 0.448 109 M N -0.715 118.870 119.600 -0.024 0.000 2.117 109 M HA -0.134 4.346 4.480 -0.001 0.000 0.262 109 M C 2.062 178.352 176.300 -0.017 0.000 1.065 109 M CA 1.450 56.733 55.300 -0.029 0.000 1.114 109 M CB -0.464 32.137 32.600 0.003 0.000 1.361 109 M HN 0.260 nan 8.290 nan 0.000 0.408 110 V N 0.003 119.912 119.914 -0.009 0.000 2.270 110 V HA -0.223 3.896 4.120 -0.001 0.000 0.245 110 V C 2.406 178.474 176.094 -0.043 0.000 1.043 110 V CA 1.847 64.125 62.300 -0.037 0.000 1.014 110 V CB -0.837 30.935 31.823 -0.085 0.000 0.645 110 V HN 0.483 nan 8.190 nan 0.000 0.447 111 E N -0.106 120.072 120.200 -0.037 0.000 2.110 111 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 111 E C 2.179 178.896 176.600 0.196 0.000 0.988 111 E CA 1.713 58.132 56.400 0.032 0.000 0.804 111 E CB -0.086 29.648 29.700 0.057 0.000 0.745 111 E HN 0.569 nan 8.360 nan 0.000 0.458 112 M N -0.299 119.385 119.600 0.141 0.000 2.193 112 M HA -0.049 4.431 4.480 -0.001 0.000 0.265 112 M C 2.432 178.886 176.300 0.256 0.000 1.071 112 M CA 1.241 56.668 55.300 0.211 0.000 1.140 112 M CB -0.145 32.329 32.600 -0.209 0.000 1.369 112 M HN 0.091 nan 8.290 nan 0.000 0.423 113 A N 0.570 123.452 122.820 0.102 0.000 1.940 113 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 113 A C 2.327 179.955 177.584 0.073 0.000 1.176 113 A CA 2.041 54.136 52.037 0.097 0.000 0.631 113 A CB -0.969 18.047 19.000 0.026 0.000 0.814 113 A HN 0.511 nan 8.150 nan 0.000 0.446 114 A N -1.668 121.174 122.820 0.036 0.000 1.933 114 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 114 A C 1.969 179.503 177.584 -0.083 0.000 1.175 114 A CA 1.318 53.314 52.037 -0.068 0.000 0.628 114 A CB -0.834 18.085 19.000 -0.135 0.000 0.814 114 A HN 0.745 nan 8.150 nan 0.000 0.444 115 W N -0.032 121.318 121.300 0.083 0.000 2.358 115 W HA -0.141 4.519 4.660 -0.001 0.000 0.303 115 W C 2.066 178.619 176.519 0.056 0.000 1.208 115 W CA 1.369 58.791 57.345 0.129 0.000 1.274 115 W CB -0.152 29.415 29.460 0.178 0.000 1.138 115 W HN 0.435 nan 8.180 nan 0.000 0.515 116 D N 0.035 120.605 120.400 0.283 0.000 2.117 116 D HA -0.192 4.447 4.640 -0.001 0.000 0.197 116 D C 2.022 178.317 176.300 -0.007 0.000 0.987 116 D CA 1.350 55.405 54.000 0.092 0.000 0.829 116 D CB -0.405 40.458 40.800 0.105 0.000 0.961 116 D HN 0.055 nan 8.370 nan 0.000 0.460 117 L N 0.207 121.406 121.223 -0.041 0.000 2.027 117 L HA -0.031 4.308 4.340 -0.001 0.000 0.206 117 L C 2.249 179.004 176.870 -0.191 0.000 1.074 117 L CA 1.730 56.492 54.840 -0.129 0.000 0.745 117 L CB -0.946 41.009 42.059 -0.173 0.000 0.898 117 L HN 0.339 nan 8.230 nan 0.000 0.433 118 W N 0.545 121.518 121.300 -0.546 0.000 2.317 118 W HA -0.345 4.314 4.660 -0.001 0.000 0.318 118 W C 2.172 178.544 176.519 -0.246 0.000 1.227 118 W CA 1.843 58.845 57.345 -0.573 0.000 1.269 118 W CB -0.260 28.836 29.460 -0.607 0.000 1.155 118 W HN 0.370 nan 8.180 nan 0.000 0.484 119 A N 1.085 123.782 122.820 -0.205 0.000 1.940 119 A HA -0.239 4.081 4.320 -0.001 0.000 0.219 119 A C 1.963 179.389 177.584 -0.264 0.000 1.176 119 A CA 2.044 53.910 52.037 -0.284 0.000 0.631 119 A CB -0.918 18.014 19.000 -0.114 0.000 0.814 119 A HN 0.460 nan 8.150 nan 0.000 0.446 120 R N -0.691 119.699 120.500 -0.183 0.000 2.148 120 R HA -0.058 4.282 4.340 -0.001 0.000 0.223 120 R C 2.346 178.562 176.300 -0.140 0.000 1.088 120 R CA 1.521 57.536 56.100 -0.140 0.000 0.985 120 R CB -0.525 29.718 30.300 -0.094 0.000 0.880 120 R HN 0.767 nan 8.270 nan 0.000 0.451 121 T N -1.034 113.421 114.554 -0.165 0.000 2.881 121 T HA -0.053 4.296 4.350 -0.001 0.000 0.270 121 T C 1.690 176.286 174.700 -0.174 0.000 1.068 121 T CA 0.937 62.966 62.100 -0.118 0.000 1.131 121 T CB -0.062 68.785 68.868 -0.035 0.000 0.871 121 T HN 0.157 nan 8.240 nan 0.000 0.479 122 L N 0.181 121.223 121.223 -0.302 0.000 2.554 122 L HA 0.402 4.742 4.340 -0.001 0.000 0.225 122 L C 1.994 178.749 176.870 -0.192 0.000 1.104 122 L CA 0.282 54.943 54.840 -0.298 0.000 0.866 122 L CB -0.453 41.309 42.059 -0.494 0.000 1.047 122 L HN 0.531 nan 8.230 nan 0.000 0.468 123 G N 1.277 109.979 108.800 -0.163 0.000 2.198 123 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.260 123 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.260 123 G C -0.029 174.803 174.900 -0.114 0.000 1.025 123 G CA 0.276 45.307 45.100 -0.116 0.000 0.769 123 G HN 0.152 nan 8.290 nan 0.000 0.507 124 V N 0.392 120.216 119.914 -0.149 0.000 2.555 124 V HA 0.539 4.659 4.120 -0.001 0.000 0.302 124 V C -1.753 174.271 176.094 -0.118 0.000 1.038 124 V CA -2.087 60.141 62.300 -0.120 0.000 0.887 124 V CB 2.087 33.830 31.823 -0.134 0.000 0.991 124 V HN 0.072 nan 8.190 nan 0.000 0.434 125 P HA 0.023 nan 4.420 nan 0.000 0.266 125 P C 0.605 177.824 177.300 -0.134 0.000 1.193 125 P CA -0.086 62.960 63.100 -0.091 0.000 0.770 125 P CB 0.662 32.388 31.700 0.043 0.000 0.836 126 L N 4.052 125.082 121.223 -0.322 0.000 1.994 126 L HA -0.047 4.292 4.340 -0.001 0.000 0.208 126 L C 2.335 179.098 176.870 -0.178 0.000 1.071 126 L CA 2.641 57.300 54.840 -0.301 0.000 0.745 126 L CB -1.763 39.961 42.059 -0.559 0.000 0.892 126 L HN 0.523 nan 8.230 nan 0.000 0.431 127 G N -1.639 107.176 108.800 0.026 0.000 2.513 127 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.219 127 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.219 127 G C 1.453 176.340 174.900 -0.022 0.000 1.160 127 G CA 1.455 46.565 45.100 0.017 0.000 0.767 127 G HN 0.455 nan 8.290 nan 0.000 0.571 128 T N 1.125 115.689 114.554 0.017 0.000 2.720 128 T HA -0.042 4.307 4.350 -0.001 0.000 0.268 128 T C 2.354 177.068 174.700 0.023 0.000 1.037 128 T CA 0.920 63.034 62.100 0.024 0.000 1.144 128 T CB -0.183 68.697 68.868 0.021 0.000 0.864 128 T HN 0.151 nan 8.240 nan 0.000 0.444 129 L N 0.204 121.435 121.223 0.012 0.000 2.201 129 L HA 0.078 4.417 4.340 -0.001 0.000 0.212 129 L C 2.018 178.927 176.870 0.066 0.000 1.105 129 L CA 0.869 55.758 54.840 0.083 0.000 0.775 129 L CB -0.284 41.884 42.059 0.181 0.000 0.913 129 L HN 0.285 nan 8.230 nan 0.000 0.440 130 L N -1.023 120.152 121.223 -0.079 0.000 2.591 130 L HA 0.141 4.481 4.340 -0.001 0.000 0.228 130 L C 1.403 178.253 176.870 -0.033 0.000 1.133 130 L CA 0.645 55.398 54.840 -0.145 0.000 0.880 130 L CB -0.093 41.778 42.059 -0.313 0.000 1.033 130 L HN 0.447 nan 8.230 nan 0.000 0.450 131 G N -0.412 108.398 108.800 0.016 0.000 2.179 131 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.220 131 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.220 131 G C 0.518 175.459 174.900 0.068 0.000 0.990 131 G CA -0.340 44.802 45.100 0.069 0.000 0.646 131 G HN 0.466 nan 8.290 nan 0.000 0.517 132 G N -0.194 108.605 108.800 -0.002 0.000 2.467 132 G HA2 0.598 4.557 3.960 -0.001 0.000 0.257 132 G HA3 0.598 4.557 3.960 -0.001 0.000 0.257 132 G C 0.086 174.994 174.900 0.013 0.000 1.227 132 G CA 0.245 45.307 45.100 -0.063 0.000 0.835 132 G HN 1.371 nan 8.290 nan 0.000 0.556 133 H N -1.525 117.544 119.070 -0.002 0.000 2.767 133 H HA 0.407 4.962 4.556 -0.001 0.000 0.235 133 H C 0.017 175.340 175.328 -0.009 0.000 1.256 133 H CA -0.690 55.356 56.048 -0.004 0.000 0.957 133 H CB -0.008 29.758 29.762 0.007 0.000 2.117 133 H HN 0.279 nan 8.280 nan 0.000 0.602 134 K N 0.820 121.166 120.400 -0.090 0.000 2.130 134 K HA 0.205 4.524 4.320 -0.001 0.000 0.268 134 K C 0.032 176.602 176.600 -0.051 0.000 0.983 134 K CA -0.459 55.791 56.287 -0.061 0.000 0.893 134 K CB 1.785 34.228 32.500 -0.094 0.000 1.066 134 K HN 0.419 nan 8.250 nan 0.000 0.450 135 E N 1.297 121.478 120.200 -0.032 0.000 2.452 135 E HA -0.056 4.294 4.350 -0.001 0.000 0.197 135 E C -0.135 176.428 176.600 -0.062 0.000 1.022 135 E CA 0.296 56.670 56.400 -0.043 0.000 0.890 135 E CB 0.522 30.211 29.700 -0.019 0.000 0.918 135 E HN 0.467 nan 8.360 nan 0.000 0.496 136 Q N 0.034 119.798 119.800 -0.059 0.000 2.462 136 Q HA 0.538 4.877 4.340 -0.001 0.000 0.285 136 Q C -0.831 175.133 176.000 -0.059 0.000 1.035 136 Q CA -1.070 54.696 55.803 -0.063 0.000 0.799 136 Q CB 2.135 30.846 28.738 -0.044 0.000 1.452 136 Q HN -0.026 nan 8.270 nan 0.000 0.404 137 V N -2.425 117.454 119.914 -0.059 0.000 2.735 137 V HA 0.558 4.678 4.120 -0.001 0.000 0.310 137 V C -0.460 175.629 176.094 -0.008 0.000 1.061 137 V CA -0.883 61.392 62.300 -0.042 0.000 0.913 137 V CB 1.836 33.611 31.823 -0.080 0.000 1.005 137 V HN 0.828 nan 8.190 nan 0.000 0.428 138 E N 2.323 122.535 120.200 0.020 0.000 2.354 138 E HA 0.510 4.859 4.350 -0.001 0.000 0.269 138 E C -0.380 176.258 176.600 0.062 0.000 1.036 138 E CA -0.365 56.055 56.400 0.034 0.000 0.876 138 E CB 2.026 31.752 29.700 0.044 0.000 1.009 138 E HN 0.946 nan 8.360 nan 0.000 0.416 139 V N -0.642 119.315 119.914 0.073 0.000 2.823 139 V HA 0.878 4.997 4.120 -0.001 0.000 0.312 139 V C 0.085 176.300 176.094 0.200 0.000 1.072 139 V CA -0.616 61.764 62.300 0.133 0.000 0.937 139 V CB 1.720 33.637 31.823 0.157 0.000 1.013 139 V HN 0.682 nan 8.190 nan 0.000 0.430 140 G N 0.941 109.824 108.800 0.139 0.000 2.735 140 G HA2 0.733 4.692 3.960 -0.001 0.000 0.301 140 G HA3 0.733 4.692 3.960 -0.001 0.000 0.301 140 G C -1.078 173.705 174.900 -0.195 0.000 1.279 140 G CA -0.506 44.612 45.100 0.030 0.000 1.019 140 G HN 1.504 nan 8.290 nan 0.000 0.497 141 V N -0.961 118.642 119.914 -0.518 0.000 2.914 141 V HA 0.799 4.918 4.120 -0.001 0.000 0.314 141 V C -0.619 175.201 176.094 -0.458 0.000 1.084 141 V CA -0.631 61.187 62.300 -0.803 0.000 0.963 141 V CB 2.312 33.186 31.823 -1.581 0.000 1.025 141 V HN 0.723 nan 8.190 nan 0.000 0.432 142 S N 5.809 121.300 115.700 -0.349 0.000 2.498 142 S HA 0.732 5.201 4.470 -0.001 0.000 0.317 142 S C -0.985 173.519 174.600 -0.160 0.000 1.090 142 S CA -0.369 57.722 58.200 -0.181 0.000 1.089 142 S CB 1.157 64.318 63.200 -0.065 0.000 0.997 142 S HN 0.548 nan 8.310 nan 0.000 0.470 143 L N 2.849 124.011 121.223 -0.103 0.000 2.307 143 L HA 0.630 4.969 4.340 -0.001 0.000 0.284 143 L C 1.039 177.919 176.870 0.017 0.000 1.023 143 L CA -0.074 54.747 54.840 -0.032 0.000 0.810 143 L CB 1.042 43.105 42.059 0.007 0.000 1.231 143 L HN 0.746 nan 8.230 nan 0.000 0.423 144 G N 2.642 111.460 108.800 0.030 0.000 2.621 144 G HA2 0.450 4.409 3.960 -0.001 0.000 0.271 144 G HA3 0.450 4.409 3.960 -0.001 0.000 0.271 144 G C 0.006 174.954 174.900 0.081 0.000 1.236 144 G CA -0.739 44.392 45.100 0.051 0.000 0.958 144 G HN 0.520 nan 8.290 nan 0.000 0.512 145 I N 1.260 121.885 120.570 0.090 0.000 2.587 145 I HA 0.031 4.200 4.170 -0.001 0.000 0.284 145 I C 0.441 176.583 176.117 0.042 0.000 1.134 145 I CA -0.108 61.263 61.300 0.118 0.000 1.410 145 I CB 0.674 38.720 38.000 0.077 0.000 1.392 145 I HN 0.284 nan 8.210 nan 0.000 0.545 146 Q N 4.721 124.574 119.800 0.089 0.000 2.185 146 Q HA 0.394 4.733 4.340 -0.001 0.000 0.225 146 Q C 0.912 176.834 176.000 -0.131 0.000 0.983 146 Q CA -0.428 55.389 55.803 0.022 0.000 0.950 146 Q CB 0.943 29.742 28.738 0.102 0.000 1.176 146 Q HN 0.751 nan 8.270 nan 0.000 0.510 147 A N 0.218 122.962 122.820 -0.127 0.000 2.014 147 A HA -0.042 4.277 4.320 -0.001 0.000 0.218 147 A C 0.036 177.440 177.584 -0.300 0.000 1.163 147 A CA 1.860 53.759 52.037 -0.230 0.000 0.652 147 A CB -0.141 18.781 19.000 -0.129 0.000 0.808 147 A HN 0.791 nan 8.150 nan 0.000 0.449 148 D N -4.330 116.027 120.400 -0.071 0.000 2.779 148 D HA 0.207 4.846 4.640 -0.001 0.000 0.331 148 D C 0.203 176.753 176.300 0.416 0.000 1.331 148 D CA -0.366 53.722 54.000 0.147 0.000 0.866 148 D CB -0.151 40.698 40.800 0.082 0.000 1.409 148 D HN -0.060 nan 8.370 nan 0.000 0.486 149 E N -0.505 119.950 120.200 0.426 0.000 2.038 149 E HA -0.233 4.117 4.350 -0.001 0.000 0.195 149 E C 1.659 178.342 176.600 0.138 0.000 1.000 149 E CA 1.496 58.035 56.400 0.232 0.000 0.803 149 E CB -0.076 29.691 29.700 0.112 0.000 0.750 149 E HN 0.448 nan 8.360 nan 0.000 0.448 150 Q N -0.093 119.770 119.800 0.105 0.000 2.170 150 Q HA -0.133 4.206 4.340 -0.001 0.000 0.203 150 Q C 2.087 178.129 176.000 0.070 0.000 0.976 150 Q CA 1.242 57.086 55.803 0.068 0.000 0.858 150 Q CB -0.088 28.678 28.738 0.046 0.000 0.907 150 Q HN 0.236 nan 8.270 nan 0.000 0.433 151 A N -0.016 122.853 122.820 0.082 0.000 1.968 151 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 151 A C 2.126 179.758 177.584 0.080 0.000 1.169 151 A CA 1.532 53.607 52.037 0.064 0.000 0.638 151 A CB -0.486 18.542 19.000 0.048 0.000 0.812 151 A HN 0.269 nan 8.150 nan 0.000 0.446 152 T N -0.514 114.114 114.554 0.123 0.000 2.812 152 T HA -0.083 4.266 4.350 -0.001 0.000 0.264 152 T C 1.872 176.627 174.700 0.090 0.000 1.042 152 T CA 1.523 63.696 62.100 0.122 0.000 1.140 152 T CB -0.297 68.669 68.868 0.163 0.000 0.870 152 T HN 0.141 nan 8.240 nan 0.000 0.445 153 V N 1.688 121.660 119.914 0.096 0.000 2.427 153 V HA -0.166 3.953 4.120 -0.001 0.000 0.248 153 V C 2.296 178.472 176.094 0.136 0.000 1.051 153 V CA 1.922 64.302 62.300 0.134 0.000 1.048 153 V CB -0.581 31.306 31.823 0.107 0.000 0.666 153 V HN 0.510 nan 8.190 nan 0.000 0.456 154 D N -0.427 120.021 120.400 0.079 0.000 2.117 154 D HA -0.189 4.450 4.640 -0.001 0.000 0.197 154 D C 1.949 178.252 176.300 0.006 0.000 0.987 154 D CA 1.072 55.101 54.000 0.048 0.000 0.829 154 D CB -0.037 40.777 40.800 0.023 0.000 0.961 154 D HN 0.274 nan 8.370 nan 0.000 0.460 155 L N -0.224 120.994 121.223 -0.007 0.000 2.109 155 L HA -0.029 4.310 4.340 -0.001 0.000 0.207 155 L C 2.174 178.992 176.870 -0.087 0.000 1.086 155 L CA 1.053 55.845 54.840 -0.080 0.000 0.760 155 L CB -0.328 41.722 42.059 -0.014 0.000 0.910 155 L HN 0.026 nan 8.230 nan 0.000 0.437 156 V N -0.395 119.517 119.914 -0.005 0.000 2.358 156 V HA -0.273 3.846 4.120 -0.001 0.000 0.246 156 V C 2.744 178.733 176.094 -0.174 0.000 1.047 156 V CA 1.938 64.197 62.300 -0.068 0.000 1.035 156 V CB -0.636 31.126 31.823 -0.102 0.000 0.658 156 V HN 0.466 nan 8.190 nan 0.000 0.452 157 R N 0.032 120.522 120.500 -0.017 0.000 2.081 157 R HA -0.201 4.138 4.340 -0.001 0.000 0.235 157 R C 2.555 178.857 176.300 0.004 0.000 1.131 157 R CA 1.882 58.050 56.100 0.113 0.000 0.960 157 R CB -0.310 30.159 30.300 0.282 0.000 0.856 157 R HN 0.468 nan 8.270 nan 0.000 0.436 158 R N -0.489 119.967 120.500 -0.073 0.000 2.083 158 R HA -0.198 4.142 4.340 -0.001 0.000 0.237 158 R C 1.827 178.072 176.300 -0.092 0.000 1.137 158 R CA 1.965 57.983 56.100 -0.137 0.000 0.951 158 R CB -0.376 29.751 30.300 -0.289 0.000 0.851 158 R HN 0.416 nan 8.270 nan 0.000 0.434 159 H N -0.357 118.717 119.070 0.007 0.000 2.436 159 H HA -0.004 4.551 4.556 -0.001 0.000 0.294 159 H C 2.221 177.611 175.328 0.103 0.000 1.048 159 H CA 1.302 57.411 56.048 0.102 0.000 1.353 159 H CB 0.007 29.758 29.762 -0.018 0.000 1.414 159 H HN 0.079 nan 8.280 nan 0.000 0.536 160 V N 1.022 120.966 119.914 0.050 0.000 2.407 160 V HA -0.203 3.916 4.120 -0.001 0.000 0.248 160 V C 2.466 178.570 176.094 0.017 0.000 1.055 160 V CA 1.938 64.216 62.300 -0.037 0.000 1.049 160 V CB -0.253 31.421 31.823 -0.248 0.000 0.662 160 V HN 0.285 nan 8.190 nan 0.000 0.455 161 E N 0.158 120.375 120.200 0.029 0.000 2.152 161 E HA -0.192 4.157 4.350 -0.001 0.000 0.192 161 E C 2.184 178.790 176.600 0.009 0.000 0.983 161 E CA 1.102 57.517 56.400 0.025 0.000 0.818 161 E CB -0.179 29.536 29.700 0.025 0.000 0.758 161 E HN 0.642 nan 8.360 nan 0.000 0.467 162 Q N -1.330 118.487 119.800 0.028 0.000 2.436 162 Q HA 0.090 4.430 4.340 -0.001 0.000 0.209 162 Q C 0.894 176.812 176.000 -0.136 0.000 0.965 162 Q CA 0.699 56.485 55.803 -0.027 0.000 0.910 162 Q CB 0.383 29.148 28.738 0.044 0.000 0.980 162 Q HN 0.434 nan 8.270 nan 0.000 0.491 163 G N -0.632 108.119 108.800 -0.082 0.000 2.163 163 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.213 163 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.213 163 G C -0.353 174.467 174.900 -0.134 0.000 0.991 163 G CA -0.555 44.479 45.100 -0.111 0.000 0.653 163 G HN 0.283 nan 8.290 nan 0.000 0.518 164 Y N 0.638 120.919 120.300 -0.031 0.000 2.683 164 Y HA 0.258 4.808 4.550 -0.001 0.000 0.340 164 Y C 2.008 177.869 175.900 -0.064 0.000 1.245 164 Y CA 0.275 58.343 58.100 -0.054 0.000 1.485 164 Y CB 0.532 38.942 38.460 -0.083 0.000 1.328 164 Y HN 0.034 nan 8.280 nan 0.000 0.603 165 R N 1.810 122.375 120.500 0.108 0.000 2.334 165 R HA 0.159 4.498 4.340 -0.001 0.000 0.216 165 R C 0.210 176.504 176.300 -0.009 0.000 0.905 165 R CA 0.153 56.270 56.100 0.030 0.000 1.064 165 R CB 0.175 30.487 30.300 0.021 0.000 1.046 165 R HN 0.511 nan 8.270 nan 0.000 0.508 166 R N 0.961 121.447 120.500 -0.024 0.000 2.643 166 R HA 0.283 4.622 4.340 -0.001 0.000 0.269 166 R C -1.620 174.584 176.300 -0.160 0.000 1.037 166 R CA -0.545 55.485 56.100 -0.118 0.000 0.894 166 R CB 1.438 31.632 30.300 -0.176 0.000 1.238 166 R HN -0.156 nan 8.270 nan 0.000 0.459 167 I N 3.512 123.967 120.570 -0.193 0.000 2.378 167 I HA 0.391 4.560 4.170 -0.001 0.000 0.291 167 I C 0.108 176.095 176.117 -0.215 0.000 0.992 167 I CA -0.613 60.561 61.300 -0.210 0.000 1.154 167 I CB 1.465 39.354 38.000 -0.185 0.000 1.315 167 I HN 0.469 nan 8.210 nan 0.000 0.448 168 K N 7.590 127.867 120.400 -0.205 0.000 2.307 168 K HA 0.584 4.903 4.320 -0.001 0.000 0.263 168 K C -1.418 175.126 176.600 -0.093 0.000 0.973 168 K CA -0.547 55.646 56.287 -0.157 0.000 0.846 168 K CB 1.226 33.644 32.500 -0.137 0.000 1.100 168 K HN 0.546 nan 8.250 nan 0.000 0.438 169 L N 4.096 125.283 121.223 -0.061 0.000 2.282 169 L HA 0.359 4.698 4.340 -0.001 0.000 0.288 169 L C 0.022 176.915 176.870 0.038 0.000 1.033 169 L CA -0.964 53.870 54.840 -0.011 0.000 0.807 169 L CB 1.327 43.372 42.059 -0.023 0.000 1.209 169 L HN 0.524 nan 8.230 nan 0.000 0.423 170 K N 4.320 124.764 120.400 0.073 0.000 2.416 170 K HA 0.337 4.656 4.320 -0.001 0.000 0.283 170 K C -0.476 176.217 176.600 0.156 0.000 1.037 170 K CA 0.077 56.434 56.287 0.117 0.000 0.995 170 K CB 0.369 32.938 32.500 0.116 0.000 0.938 170 K HN 0.525 nan 8.250 nan 0.000 0.475 171 I N 0.282 120.958 120.570 0.176 0.000 3.067 171 I HA 0.646 4.816 4.170 -0.001 0.000 0.312 171 I C -0.974 175.305 176.117 0.270 0.000 1.073 171 I CA -1.087 60.345 61.300 0.219 0.000 1.016 171 I CB 2.168 40.267 38.000 0.166 0.000 1.227 171 I HN 0.638 nan 8.210 nan 0.000 0.456 172 K N 1.045 121.614 120.400 0.281 0.000 2.578 172 K HA 0.625 4.945 4.320 -0.001 0.000 0.287 172 K C -3.241 173.412 176.600 0.089 0.000 1.010 172 K CA -1.819 54.551 56.287 0.139 0.000 0.889 172 K CB 1.347 33.894 32.500 0.079 0.000 1.514 172 K HN 0.225 nan 8.250 nan 0.000 0.424 173 P HA 0.022 nan 4.420 nan 0.000 0.264 173 P C 0.572 177.912 177.300 0.067 0.000 1.193 173 P CA 1.625 64.666 63.100 -0.097 0.000 0.763 173 P CB 0.585 32.144 31.700 -0.237 0.000 0.810 174 G N 1.742 110.625 108.800 0.137 0.000 2.268 174 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.240 174 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.240 174 G C -0.317 174.790 174.900 0.345 0.000 1.010 174 G CA -0.212 45.001 45.100 0.188 0.000 0.618 174 G HN 0.594 nan 8.290 nan 0.000 0.516 175 W N 2.013 123.346 121.300 0.054 0.000 2.330 175 W HA 0.468 5.128 4.660 -0.000 0.000 0.286 175 W C -0.068 176.500 176.519 0.082 0.000 1.019 175 W CA 0.295 57.671 57.345 0.052 0.000 1.485 175 W CB 0.644 30.125 29.460 0.035 0.000 1.457 175 W HN 0.353 nan 8.180 nan 0.000 0.359 176 D N -0.455 119.845 120.400 -0.166 0.000 2.846 176 D HA -0.018 4.621 4.640 -0.001 0.000 0.200 176 D C 1.478 177.639 176.300 -0.232 0.000 1.421 176 D CA 0.192 54.112 54.000 -0.134 0.000 1.400 176 D CB 0.268 41.118 40.800 0.083 0.000 1.461 176 D HN -0.064 nan 8.370 nan 0.000 0.352 177 V N 0.873 120.697 119.914 -0.150 0.000 2.490 177 V HA -0.218 3.901 4.120 -0.001 0.000 0.250 177 V C 2.213 178.136 176.094 -0.285 0.000 1.061 177 V CA 2.081 64.304 62.300 -0.130 0.000 1.064 177 V CB -0.733 31.084 31.823 -0.010 0.000 0.670 177 V HN 0.135 nan 8.190 nan 0.000 0.461 178 Q N 0.381 119.933 119.800 -0.412 0.000 1.990 178 Q HA -0.098 4.241 4.340 -0.001 0.000 0.200 178 Q C 0.016 175.651 176.000 -0.608 0.000 0.980 178 Q CA 1.971 57.469 55.803 -0.509 0.000 0.832 178 Q CB -1.788 26.587 28.738 -0.605 0.000 0.897 178 Q HN 0.518 nan 8.270 nan 0.000 0.427 179 P HA -0.122 nan 4.420 nan 0.000 0.218 179 P C 1.129 178.226 177.300 -0.338 0.000 1.148 179 P CA 1.119 63.896 63.100 -0.538 0.000 0.822 179 P CB 0.097 31.463 31.700 -0.556 0.000 0.784 180 V N 0.311 120.001 119.914 -0.374 0.000 2.446 180 V HA -0.111 4.008 4.120 -0.001 0.000 0.244 180 V C 3.001 178.774 176.094 -0.535 0.000 1.039 180 V CA 1.470 63.567 62.300 -0.338 0.000 1.045 180 V CB -0.947 30.724 31.823 -0.253 0.000 0.681 180 V HN 0.042 nan 8.190 nan 0.000 0.459 181 R N 0.687 120.744 120.500 -0.737 0.000 2.080 181 R HA -0.184 4.155 4.340 -0.001 0.000 0.236 181 R C 2.294 178.337 176.300 -0.428 0.000 1.137 181 R CA 1.973 57.526 56.100 -0.912 0.000 0.943 181 R CB -0.578 29.363 30.300 -0.598 0.000 0.846 181 R HN 0.436 nan 8.270 nan 0.000 0.431 182 A N -0.030 122.622 122.820 -0.281 0.000 1.940 182 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 182 A C 2.200 179.729 177.584 -0.092 0.000 1.176 182 A CA 2.132 54.081 52.037 -0.147 0.000 0.631 182 A CB -0.893 18.049 19.000 -0.097 0.000 0.814 182 A HN 0.529 nan 8.150 nan 0.000 0.446 183 T N -1.069 113.429 114.554 -0.093 0.000 2.857 183 T HA -0.081 4.268 4.350 -0.001 0.000 0.266 183 T C 2.109 176.859 174.700 0.082 0.000 1.048 183 T CA 1.626 63.747 62.100 0.035 0.000 1.139 183 T CB -0.147 68.716 68.868 -0.008 0.000 0.874 183 T HN 0.500 nan 8.240 nan 0.000 0.455 184 R N 1.453 121.927 120.500 -0.044 0.000 2.119 184 R HA 0.092 4.431 4.340 -0.001 0.000 0.222 184 R C 2.097 178.405 176.300 0.013 0.000 1.088 184 R CA 1.209 57.317 56.100 0.013 0.000 0.984 184 R CB -0.322 29.977 30.300 -0.002 0.000 0.884 184 R HN 0.418 nan 8.270 nan 0.000 0.447 185 E N -0.266 119.908 120.200 -0.044 0.000 2.077 185 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 185 E C 1.781 178.318 176.600 -0.105 0.000 0.989 185 E CA 1.322 57.693 56.400 -0.048 0.000 0.800 185 E CB -0.137 29.528 29.700 -0.058 0.000 0.746 185 E HN 0.450 nan 8.360 nan 0.000 0.452 186 A N 0.502 123.231 122.820 -0.153 0.000 1.968 186 A HA -0.042 4.277 4.320 -0.001 0.000 0.217 186 A C 0.746 177.902 177.584 -0.714 0.000 1.169 186 A CA 0.776 52.571 52.037 -0.404 0.000 0.638 186 A CB -0.006 18.756 19.000 -0.397 0.000 0.812 186 A HN 0.144 nan 8.150 nan 0.000 0.446 187 F N -1.196 118.740 119.950 -0.024 0.000 2.660 187 F HA 0.348 4.876 4.527 0.001 0.000 0.352 187 F C -2.098 173.695 175.800 -0.012 0.000 1.257 187 F CA -1.757 56.233 58.000 -0.017 0.000 1.200 187 F CB 1.663 40.651 39.000 -0.020 0.000 1.473 187 F HN 0.014 nan 8.300 nan 0.000 0.561 188 P HA -0.098 nan 4.420 nan 0.000 0.220 188 P C 0.603 177.946 177.300 0.071 0.000 1.148 188 P CA 1.407 64.546 63.100 0.064 0.000 0.803 188 P CB 0.367 32.084 31.700 0.028 0.000 0.782 189 D N -1.135 119.317 120.400 0.086 0.000 2.441 189 D HA 0.107 4.746 4.640 -0.001 0.000 0.210 189 D C 1.145 177.476 176.300 0.052 0.000 1.102 189 D CA -0.057 53.980 54.000 0.061 0.000 0.840 189 D CB 0.183 41.015 40.800 0.053 0.000 0.990 189 D HN 0.277 nan 8.370 nan 0.000 0.505 190 I N -1.013 119.599 120.570 0.069 0.000 2.882 190 I HA 0.174 4.343 4.170 -0.001 0.000 0.286 190 I C 0.593 176.694 176.117 -0.026 0.000 1.139 190 I CA -0.697 60.609 61.300 0.011 0.000 1.379 190 I CB 0.877 38.856 38.000 -0.035 0.000 1.410 190 I HN -0.370 nan 8.210 nan 0.000 0.594 191 R N 4.112 124.579 120.500 -0.055 0.000 2.345 191 R HA 0.320 4.659 4.340 -0.001 0.000 0.331 191 R C -1.198 175.015 176.300 -0.144 0.000 1.067 191 R CA -0.436 55.607 56.100 -0.095 0.000 0.962 191 R CB 0.217 30.459 30.300 -0.097 0.000 0.987 191 R HN 0.641 nan 8.270 nan 0.000 0.451 192 L N 4.461 125.592 121.223 -0.152 0.000 2.346 192 L HA 0.526 4.865 4.340 -0.001 0.000 0.276 192 L C -0.604 176.106 176.870 -0.265 0.000 1.006 192 L CA 0.012 54.747 54.840 -0.175 0.000 0.817 192 L CB 2.081 44.077 42.059 -0.104 0.000 1.272 192 L HN 0.785 nan 8.230 nan 0.000 0.421 193 T N 1.849 116.216 114.554 -0.312 0.000 2.865 193 T HA 0.838 5.188 4.350 -0.001 0.000 0.294 193 T C -0.647 173.928 174.700 -0.208 0.000 1.119 193 T CA -0.251 61.601 62.100 -0.413 0.000 1.007 193 T CB 1.491 69.878 68.868 -0.802 0.000 1.225 193 T HN 0.932 nan 8.240 nan 0.000 0.515 194 V N -1.391 118.455 119.914 -0.114 0.000 2.962 194 V HA 0.818 4.937 4.120 -0.001 0.000 0.313 194 V C -1.634 174.524 176.094 0.106 0.000 1.099 194 V CA -0.899 61.398 62.300 -0.004 0.000 0.971 194 V CB 1.991 33.814 31.823 -0.000 0.000 1.028 194 V HN 1.038 nan 8.190 nan 0.000 0.430 195 D N 2.482 122.959 120.400 0.128 0.000 2.414 195 D HA 0.704 5.343 4.640 -0.001 0.000 0.232 195 D C 0.551 176.967 176.300 0.192 0.000 1.070 195 D CA 0.129 54.240 54.000 0.185 0.000 0.839 195 D CB 1.820 42.726 40.800 0.176 0.000 1.079 195 D HN 0.922 nan 8.370 nan 0.000 0.521 196 A N 4.106 127.055 122.820 0.215 0.000 2.238 196 A HA 0.072 4.391 4.320 -0.001 0.000 0.210 196 A C 1.186 178.959 177.584 0.316 0.000 1.179 196 A CA 0.328 52.540 52.037 0.292 0.000 0.827 196 A CB -0.429 18.696 19.000 0.209 0.000 0.856 196 A HN 0.692 nan 8.150 nan 0.000 0.488 197 N N -0.976 117.870 118.700 0.244 0.000 2.725 197 N HA -0.218 4.521 4.740 -0.001 0.000 0.249 197 N C 0.167 175.799 175.510 0.204 0.000 1.103 197 N CA 1.147 54.321 53.050 0.207 0.000 0.707 197 N CB -2.044 36.546 38.487 0.172 0.000 1.043 197 N HN 0.403 nan 8.380 nan 0.000 0.553 198 S N -3.194 112.653 115.700 0.245 0.000 3.533 198 S HA -0.239 4.231 4.470 -0.001 0.000 0.347 198 S C 0.935 175.646 174.600 0.185 0.000 1.101 198 S CA 1.180 59.521 58.200 0.236 0.000 1.009 198 S CB -1.711 61.634 63.200 0.241 0.000 0.916 198 S HN 0.980 nan 8.310 nan 0.000 0.496 199 A N -1.349 121.585 122.820 0.189 0.000 2.308 199 A HA 0.525 4.844 4.320 -0.001 0.000 0.217 199 A C 0.235 177.733 177.584 -0.145 0.000 1.216 199 A CA 0.334 52.373 52.037 0.005 0.000 0.864 199 A CB 0.181 19.130 19.000 -0.085 0.000 0.902 199 A HN 0.535 nan 8.150 nan 0.000 0.499 200 Y N -0.829 119.507 120.300 0.060 0.000 2.621 200 Y HA 0.576 5.125 4.550 -0.001 0.000 0.334 200 Y C 0.852 176.760 175.900 0.013 0.000 1.074 200 Y CA -0.209 57.914 58.100 0.039 0.000 1.149 200 Y CB 1.627 40.113 38.460 0.043 0.000 1.302 200 Y HN 0.113 nan 8.280 nan 0.000 0.501 201 T N -2.584 112.075 114.554 0.175 0.000 2.888 201 T HA 0.417 4.766 4.350 -0.001 0.000 0.288 201 T C 0.386 175.125 174.700 0.066 0.000 1.063 201 T CA -0.822 61.324 62.100 0.077 0.000 1.010 201 T CB 0.799 69.694 68.868 0.045 0.000 1.214 201 T HN 0.565 nan 8.240 nan 0.000 0.533 202 L N 0.749 121.983 121.223 0.018 0.000 2.275 202 L HA 0.114 4.454 4.340 -0.001 0.000 0.215 202 L C 3.054 179.938 176.870 0.023 0.000 1.119 202 L CA 1.209 56.053 54.840 0.007 0.000 0.790 202 L CB -0.764 41.286 42.059 -0.015 0.000 0.919 202 L HN 0.943 nan 8.230 nan 0.000 0.443 203 A N -0.445 122.395 122.820 0.032 0.000 2.131 203 A HA -0.199 4.120 4.320 -0.001 0.000 0.220 203 A C 1.604 179.223 177.584 0.057 0.000 1.158 203 A CA 1.578 53.637 52.037 0.037 0.000 0.665 203 A CB -0.379 18.641 19.000 0.034 0.000 0.795 203 A HN 0.378 nan 8.150 nan 0.000 0.460 204 D N -0.126 120.328 120.400 0.090 0.000 2.328 204 D HA 0.244 4.884 4.640 -0.001 0.000 0.226 204 D C 1.866 178.206 176.300 0.066 0.000 1.066 204 D CA 0.763 54.842 54.000 0.131 0.000 0.861 204 D CB 0.003 40.988 40.800 0.307 0.000 0.912 204 D HN 0.450 nan 8.370 nan 0.000 0.521 205 A N 1.122 123.962 122.820 0.033 0.000 1.917 205 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 205 A C 2.361 179.946 177.584 0.003 0.000 1.182 205 A CA 2.047 54.087 52.037 0.005 0.000 0.633 205 A CB -1.000 18.001 19.000 0.002 0.000 0.819 205 A HN 0.328 nan 8.150 nan 0.000 0.448 206 G N -1.009 107.800 108.800 0.015 0.000 2.422 206 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.218 206 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.218 206 G C 1.681 176.592 174.900 0.017 0.000 1.140 206 G CA 1.161 46.269 45.100 0.013 0.000 0.775 206 G HN 0.521 nan 8.290 nan 0.000 0.545 207 R N 0.481 121.003 120.500 0.036 0.000 2.066 207 R HA 0.143 4.482 4.340 -0.001 0.000 0.232 207 R C 2.526 178.834 176.300 0.013 0.000 1.131 207 R CA 1.051 57.179 56.100 0.047 0.000 0.955 207 R CB -0.873 29.487 30.300 0.100 0.000 0.851 207 R HN 0.365 nan 8.270 nan 0.000 0.432 208 L N 0.167 121.372 121.223 -0.031 0.000 2.079 208 L HA -0.112 4.227 4.340 -0.001 0.000 0.210 208 L C 2.710 179.551 176.870 -0.047 0.000 1.081 208 L CA 1.726 56.510 54.840 -0.094 0.000 0.752 208 L CB -0.484 41.470 42.059 -0.176 0.000 0.896 208 L HN 0.245 nan 8.230 nan 0.000 0.433 209 R N 0.302 120.785 120.500 -0.029 0.000 2.152 209 R HA -0.190 4.149 4.340 -0.001 0.000 0.232 209 R C 2.203 178.485 176.300 -0.030 0.000 1.117 209 R CA 1.229 57.313 56.100 -0.027 0.000 0.981 209 R CB -0.080 30.208 30.300 -0.021 0.000 0.870 209 R HN 0.459 nan 8.270 nan 0.000 0.451 210 Q N 0.089 119.881 119.800 -0.014 0.000 2.364 210 Q HA -0.130 4.210 4.340 -0.001 0.000 0.209 210 Q C 1.833 177.840 176.000 0.013 0.000 0.977 210 Q CA 1.035 56.834 55.803 -0.007 0.000 0.885 210 Q CB 0.023 28.779 28.738 0.030 0.000 0.941 210 Q HN 0.434 nan 8.270 nan 0.000 0.464 211 L N 0.263 121.507 121.223 0.035 0.000 2.395 211 L HA -0.123 4.216 4.340 -0.001 0.000 0.218 211 L C 1.368 178.245 176.870 0.012 0.000 1.130 211 L CA 0.253 55.156 54.840 0.104 0.000 0.826 211 L CB -0.219 41.872 42.059 0.055 0.000 0.941 211 L HN 0.093 nan 8.230 nan 0.000 0.451 212 D N 0.956 121.318 120.400 -0.064 0.000 2.149 212 D HA -0.234 4.405 4.640 -0.001 0.000 0.198 212 D C 1.968 178.172 176.300 -0.160 0.000 0.990 212 D CA 1.560 55.510 54.000 -0.084 0.000 0.839 212 D CB -0.034 40.721 40.800 -0.075 0.000 0.948 212 D HN 0.580 nan 8.370 nan 0.000 0.460 213 E N -0.356 119.649 120.200 -0.325 0.000 2.472 213 E HA -0.176 4.174 4.350 -0.001 0.000 0.200 213 E C 0.828 177.132 176.600 -0.494 0.000 1.046 213 E CA 0.694 56.828 56.400 -0.443 0.000 0.871 213 E CB -0.398 28.959 29.700 -0.571 0.000 0.806 213 E HN 0.447 nan 8.360 nan 0.000 0.533 214 Y N 1.164 121.444 120.300 -0.033 0.000 2.485 214 Y HA 0.130 4.678 4.550 -0.004 0.000 0.260 214 Y C -0.190 175.687 175.900 -0.039 0.000 1.173 214 Y CA -0.451 57.627 58.100 -0.036 0.000 1.252 214 Y CB 0.375 38.808 38.460 -0.045 0.000 1.123 214 Y HN -0.092 nan 8.280 nan 0.000 0.524 215 D N 1.099 121.522 120.400 0.038 0.000 2.697 215 D HA -0.207 4.432 4.640 -0.001 0.000 0.235 215 D C -0.397 175.903 176.300 0.000 0.000 1.167 215 D CA 0.660 54.667 54.000 0.012 0.000 0.656 215 D CB -1.160 39.645 40.800 0.010 0.000 1.025 215 D HN 0.394 nan 8.370 nan 0.000 0.419 216 L N 0.228 121.446 121.223 -0.007 0.000 2.453 216 L HA 0.015 4.354 4.340 -0.001 0.000 0.272 216 L C 2.221 179.037 176.870 -0.091 0.000 1.182 216 L CA -0.009 54.788 54.840 -0.071 0.000 0.858 216 L CB 0.398 42.416 42.059 -0.068 0.000 1.120 216 L HN -0.016 nan 8.230 nan 0.000 0.474 217 T N 1.439 115.883 114.554 -0.184 0.000 2.759 217 T HA -0.115 4.234 4.350 -0.001 0.000 0.269 217 T C -0.325 174.348 174.700 -0.046 0.000 1.042 217 T CA 1.598 63.606 62.100 -0.153 0.000 1.140 217 T CB -0.193 68.514 68.868 -0.269 0.000 0.864 217 T HN 0.626 nan 8.240 nan 0.000 0.455 218 Y N -2.128 118.167 120.300 -0.008 0.000 2.702 218 Y HA 0.609 5.159 4.550 -0.000 0.000 0.336 218 Y C -1.842 174.068 175.900 0.017 0.000 1.203 218 Y CA -2.307 55.803 58.100 0.017 0.000 1.072 218 Y CB 0.472 38.965 38.460 0.055 0.000 1.327 218 Y HN -0.134 nan 8.280 nan 0.000 0.456 219 I N 2.157 122.888 120.570 0.268 0.000 2.354 219 I HA 0.308 4.478 4.170 -0.001 0.000 0.292 219 I C -0.301 175.977 176.117 0.268 0.000 0.989 219 I CA -0.658 60.765 61.300 0.206 0.000 1.188 219 I CB 1.723 39.772 38.000 0.081 0.000 1.342 219 I HN 0.666 nan 8.210 nan 0.000 0.457 220 E N 5.613 125.993 120.200 0.301 0.000 2.229 220 E HA 0.078 4.428 4.350 -0.001 0.000 0.283 220 E C -0.210 176.499 176.600 0.183 0.000 1.030 220 E CA -0.617 55.931 56.400 0.247 0.000 0.836 220 E CB 0.715 30.616 29.700 0.335 0.000 1.068 220 E HN 0.463 nan 8.360 nan 0.000 0.401 221 Q N 3.910 123.774 119.800 0.106 0.000 2.402 221 Q HA -0.176 4.163 4.340 -0.001 0.000 0.370 221 Q C -1.948 174.231 176.000 0.299 0.000 1.334 221 Q CA 0.524 56.409 55.803 0.137 0.000 1.151 221 Q CB -0.034 28.769 28.738 0.109 0.000 1.324 221 Q HN 0.462 nan 8.270 nan 0.000 0.332 222 P HA -0.112 nan 4.420 nan 0.000 0.220 222 P C 0.232 177.699 177.300 0.278 0.000 1.152 222 P CA 1.055 64.324 63.100 0.280 0.000 0.812 222 P CB 0.326 32.088 31.700 0.104 0.000 0.792 223 L N -1.133 120.203 121.223 0.188 0.000 2.793 223 L HA 0.612 4.951 4.340 -0.001 0.000 0.242 223 L C 0.898 177.827 176.870 0.098 0.000 1.315 223 L CA -1.536 53.285 54.840 -0.032 0.000 1.263 223 L CB -0.599 41.199 42.059 -0.434 0.000 2.076 223 L HN -0.260 nan 8.230 nan 0.000 0.575 224 A N 0.294 123.116 122.820 0.003 0.000 2.498 224 A HA -0.016 4.303 4.320 -0.001 0.000 0.239 224 A C 0.832 178.474 177.584 0.097 0.000 1.068 224 A CA -0.184 51.884 52.037 0.051 0.000 0.766 224 A CB -0.171 18.784 19.000 -0.076 0.000 1.003 224 A HN 0.859 nan 8.150 nan 0.000 0.497 225 W N 2.254 123.588 121.300 0.056 0.000 2.350 225 W HA -0.154 4.505 4.660 -0.002 0.000 0.289 225 W C -0.009 176.507 176.519 -0.005 0.000 1.215 225 W CA 1.447 58.802 57.345 0.016 0.000 1.236 225 W CB -0.558 28.869 29.460 -0.054 0.000 1.130 225 W HN 0.749 nan 8.180 nan 0.000 0.541 226 D N -0.169 119.682 120.400 -0.915 0.000 2.388 226 D HA 0.010 4.649 4.640 -0.001 0.000 0.221 226 D C -0.152 175.913 176.300 -0.392 0.000 1.133 226 D CA -0.171 53.318 54.000 -0.852 0.000 0.831 226 D CB -0.709 39.201 40.800 -1.483 0.000 0.962 226 D HN 0.075 nan 8.370 nan 0.000 0.502 227 D N 0.614 120.904 120.400 -0.184 0.000 2.175 227 D HA 0.182 4.822 4.640 -0.001 0.000 0.248 227 D C 0.625 176.983 176.300 0.097 0.000 1.047 227 D CA -0.511 53.457 54.000 -0.053 0.000 0.883 227 D CB 1.907 42.680 40.800 -0.044 0.000 1.180 227 D HN 0.026 nan 8.370 nan 0.000 0.438 228 L N 2.671 123.911 121.223 0.028 0.000 2.547 228 L HA 0.044 4.383 4.340 -0.001 0.000 0.218 228 L C 2.288 179.188 176.870 0.050 0.000 1.048 228 L CA -0.070 54.798 54.840 0.047 0.000 0.859 228 L CB 0.084 42.127 42.059 -0.027 0.000 1.128 228 L HN 0.290 nan 8.230 nan 0.000 0.483 229 V N 0.397 120.312 119.914 0.002 0.000 2.270 229 V HA -0.249 3.870 4.120 -0.001 0.000 0.245 229 V C 1.991 178.075 176.094 -0.018 0.000 1.043 229 V CA 2.016 64.308 62.300 -0.013 0.000 1.014 229 V CB -0.379 31.426 31.823 -0.030 0.000 0.645 229 V HN 0.397 nan 8.190 nan 0.000 0.447 230 D N -1.294 119.075 120.400 -0.051 0.000 2.178 230 D HA -0.152 4.487 4.640 -0.001 0.000 0.201 230 D C 2.088 178.322 176.300 -0.110 0.000 0.980 230 D CA 1.092 55.036 54.000 -0.094 0.000 0.842 230 D CB -0.347 40.365 40.800 -0.147 0.000 0.948 230 D HN 0.500 nan 8.370 nan 0.000 0.472 231 H N 0.668 119.722 119.070 -0.027 0.000 2.353 231 H HA -0.002 4.553 4.556 -0.001 0.000 0.300 231 H C 2.128 177.442 175.328 -0.024 0.000 1.090 231 H CA 1.347 57.382 56.048 -0.022 0.000 1.327 231 H CB -0.175 29.570 29.762 -0.029 0.000 1.383 231 H HN 0.104 nan 8.280 nan 0.000 0.508 232 A N 1.083 123.956 122.820 0.088 0.000 1.908 232 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 232 A C 2.394 179.988 177.584 0.017 0.000 1.181 232 A CA 2.098 54.156 52.037 0.035 0.000 0.627 232 A CB -0.355 18.653 19.000 0.013 0.000 0.818 232 A HN 0.381 nan 8.150 nan 0.000 0.445 233 E N -0.328 119.874 120.200 0.003 0.000 2.106 233 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 233 E C 1.765 178.362 176.600 -0.004 0.000 0.984 233 E CA 1.238 57.635 56.400 -0.005 0.000 0.806 233 E CB -0.413 29.276 29.700 -0.017 0.000 0.750 233 E HN 0.436 nan 8.360 nan 0.000 0.458 234 L N 0.226 121.446 121.223 -0.005 0.000 2.093 234 L HA 0.054 4.393 4.340 -0.001 0.000 0.208 234 L C 2.181 179.059 176.870 0.013 0.000 1.085 234 L CA 2.115 56.953 54.840 -0.002 0.000 0.755 234 L CB -0.922 41.130 42.059 -0.011 0.000 0.904 234 L HN 0.170 nan 8.230 nan 0.000 0.435 235 A N -0.404 122.433 122.820 0.029 0.000 2.019 235 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 235 A C 2.363 179.955 177.584 0.013 0.000 1.164 235 A CA 1.642 53.694 52.037 0.025 0.000 0.644 235 A CB -0.579 18.438 19.000 0.029 0.000 0.805 235 A HN 0.538 nan 8.150 nan 0.000 0.449 236 R N -1.025 119.481 120.500 0.009 0.000 2.235 236 R HA 0.036 4.376 4.340 -0.001 0.000 0.213 236 R C 1.838 178.139 176.300 0.001 0.000 1.059 236 R CA 0.948 57.051 56.100 0.005 0.000 0.997 236 R CB -0.085 30.217 30.300 0.003 0.000 0.884 236 R HN 0.462 nan 8.270 nan 0.000 0.462 237 R N 0.304 120.804 120.500 0.000 0.000 2.308 237 R HA 0.222 4.561 4.340 -0.001 0.000 0.202 237 R C 0.774 177.070 176.300 -0.006 0.000 0.898 237 R CA 0.251 56.349 56.100 -0.003 0.000 1.046 237 R CB 0.448 30.745 30.300 -0.004 0.000 1.026 237 R HN 0.184 nan 8.270 nan 0.000 0.512 238 I N -3.488 117.080 120.570 -0.004 0.000 2.934 238 I HA 0.380 4.550 4.170 -0.001 0.000 0.306 238 I C 0.375 176.490 176.117 -0.003 0.000 1.110 238 I CA -1.092 60.203 61.300 -0.008 0.000 1.019 238 I CB 2.394 40.386 38.000 -0.013 0.000 1.227 238 I HN -0.241 nan 8.210 nan 0.000 0.434 239 R N 0.853 121.349 120.500 -0.008 0.000 2.223 239 R HA 0.162 4.502 4.340 -0.001 0.000 0.198 239 R C 0.115 176.418 176.300 0.004 0.000 0.984 239 R CA 0.263 56.360 56.100 -0.004 0.000 1.018 239 R CB 0.069 30.361 30.300 -0.014 0.000 0.945 239 R HN 0.671 nan 8.270 nan 0.000 0.479 240 T N 3.950 118.506 114.554 0.004 0.000 2.853 240 T HA 0.124 4.473 4.350 -0.001 0.000 0.298 240 T C -2.356 172.369 174.700 0.041 0.000 0.978 240 T CA -1.029 61.082 62.100 0.017 0.000 1.152 240 T CB 1.100 69.974 68.868 0.011 0.000 0.914 240 T HN -0.056 nan 8.240 nan 0.000 0.539 241 P HA 0.105 nan 4.420 nan 0.000 0.265 241 P C -0.406 176.963 177.300 0.114 0.000 1.187 241 P CA -0.081 63.070 63.100 0.086 0.000 0.766 241 P CB 0.390 32.161 31.700 0.118 0.000 0.820 242 L N 2.558 123.827 121.223 0.078 0.000 2.334 242 L HA 0.396 4.735 4.340 -0.001 0.000 0.277 242 L C 0.463 177.343 176.870 0.015 0.000 1.075 242 L CA -0.581 54.300 54.840 0.067 0.000 0.804 242 L CB 1.214 43.299 42.059 0.043 0.000 1.174 242 L HN 0.434 nan 8.230 nan 0.000 0.438 243 C N 4.825 124.121 119.300 -0.006 0.000 2.351 243 C HA 0.592 5.051 4.460 -0.001 0.000 0.326 243 C C -0.099 174.802 174.990 -0.148 0.000 1.272 243 C CA -0.714 58.219 59.018 -0.143 0.000 1.650 243 C CB 0.464 28.008 27.740 -0.327 0.000 2.257 243 C HN 0.546 nan 8.230 nan 0.000 0.505 244 L N 5.232 126.334 121.223 -0.202 0.000 2.343 244 L HA 0.507 4.846 4.340 -0.001 0.000 0.275 244 L C 0.566 177.331 176.870 -0.175 0.000 1.056 244 L CA 0.647 55.354 54.840 -0.222 0.000 0.804 244 L CB 1.361 43.280 42.059 -0.233 0.000 1.203 244 L HN 0.875 nan 8.230 nan 0.000 0.440 245 D N 0.322 120.656 120.400 -0.110 0.000 2.973 245 D HA 0.005 4.645 4.640 -0.001 0.000 0.187 245 D C 1.163 177.465 176.300 0.003 0.000 1.467 245 D CA 0.277 54.249 54.000 -0.048 0.000 1.515 245 D CB 0.388 41.218 40.800 0.050 0.000 1.182 245 D HN 0.443 nan 8.370 nan 0.000 0.213 246 E N 0.174 120.405 120.200 0.051 0.000 2.268 246 E HA -0.028 4.322 4.350 -0.001 0.000 0.195 246 E C 1.718 178.363 176.600 0.075 0.000 0.995 246 E CA 1.189 57.625 56.400 0.060 0.000 0.836 246 E CB -0.000 29.762 29.700 0.104 0.000 0.763 246 E HN 0.280 nan 8.360 nan 0.000 0.491 247 S N -0.584 115.120 115.700 0.008 0.000 2.593 247 S HA 0.083 4.553 4.470 -0.001 0.000 0.217 247 S C 0.593 175.157 174.600 -0.059 0.000 0.966 247 S CA -0.314 57.858 58.200 -0.047 0.000 0.914 247 S CB 0.319 63.466 63.200 -0.087 0.000 0.776 247 S HN -0.069 nan 8.310 nan 0.000 0.523 248 V N 2.000 121.882 119.914 -0.054 0.000 2.275 248 V HA 0.701 4.820 4.120 -0.001 0.000 0.272 248 V C 0.515 176.592 176.094 -0.029 0.000 1.028 248 V CA -0.066 62.197 62.300 -0.061 0.000 0.810 248 V CB 0.454 32.218 31.823 -0.099 0.000 1.043 248 V HN 0.460 nan 8.190 nan 0.000 0.453 249 A N 3.770 126.584 122.820 -0.011 0.000 2.538 249 A HA 0.710 5.029 4.320 -0.001 0.000 0.269 249 A C 0.556 178.145 177.584 0.009 0.000 1.231 249 A CA 0.468 52.512 52.037 0.013 0.000 0.948 249 A CB 0.241 19.263 19.000 0.036 0.000 1.110 249 A HN 0.954 nan 8.150 nan 0.000 0.529 250 S N -3.278 112.420 115.700 -0.004 0.000 2.615 250 S HA 0.578 5.047 4.470 -0.001 0.000 0.268 250 S C 0.748 175.346 174.600 -0.003 0.000 1.146 250 S CA 0.094 58.296 58.200 0.004 0.000 0.818 250 S CB 0.720 63.926 63.200 0.010 0.000 1.111 250 S HN 1.120 nan 8.310 nan 0.000 0.465 251 A N 1.495 124.321 122.820 0.010 0.000 1.972 251 A HA 0.042 4.361 4.320 -0.001 0.000 0.219 251 A C 2.269 179.859 177.584 0.009 0.000 1.169 251 A CA 2.253 54.298 52.037 0.013 0.000 0.635 251 A CB -1.428 17.591 19.000 0.031 0.000 0.810 251 A HN 1.669 nan 8.150 nan 0.000 0.446 252 S N -0.139 115.566 115.700 0.009 0.000 2.414 252 S HA -0.117 4.352 4.470 -0.001 0.000 0.227 252 S C 1.314 175.906 174.600 -0.013 0.000 1.022 252 S CA 1.116 59.321 58.200 0.008 0.000 0.958 252 S CB -0.377 62.829 63.200 0.010 0.000 0.797 252 S HN 0.463 nan 8.310 nan 0.000 0.493 253 D N 2.661 123.047 120.400 -0.024 0.000 2.117 253 D HA 0.047 4.686 4.640 -0.001 0.000 0.197 253 D C 2.255 178.511 176.300 -0.073 0.000 0.987 253 D CA 1.482 55.455 54.000 -0.046 0.000 0.829 253 D CB -0.671 40.102 40.800 -0.045 0.000 0.961 253 D HN 0.549 nan 8.370 nan 0.000 0.460 254 A N 1.136 123.914 122.820 -0.071 0.000 1.877 254 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 254 A C 2.183 179.670 177.584 -0.161 0.000 1.186 254 A CA 1.400 53.367 52.037 -0.116 0.000 0.620 254 A CB -0.441 18.505 19.000 -0.089 0.000 0.822 254 A HN 0.044 nan 8.150 nan 0.000 0.443 255 R N 0.322 120.778 120.500 -0.072 0.000 2.096 255 R HA -0.181 4.159 4.340 -0.001 0.000 0.240 255 R C 1.913 178.151 176.300 -0.103 0.000 1.139 255 R CA 2.251 58.336 56.100 -0.025 0.000 0.952 255 R CB -0.397 29.960 30.300 0.095 0.000 0.854 255 R HN 0.573 nan 8.270 nan 0.000 0.436 256 K N -0.333 120.022 120.400 -0.076 0.000 2.062 256 K HA -0.000 4.319 4.320 -0.001 0.000 0.205 256 K C 2.152 178.681 176.600 -0.120 0.000 1.051 256 K CA 1.202 57.448 56.287 -0.068 0.000 0.941 256 K CB -0.160 32.312 32.500 -0.046 0.000 0.719 256 K HN 0.226 nan 8.250 nan 0.000 0.440 257 A N 1.238 123.966 122.820 -0.154 0.000 1.883 257 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 257 A C 2.095 179.528 177.584 -0.250 0.000 1.186 257 A CA 1.447 53.379 52.037 -0.176 0.000 0.624 257 A CB -0.671 18.221 19.000 -0.179 0.000 0.822 257 A HN 0.163 nan 8.150 nan 0.000 0.444 258 L N -1.095 119.865 121.223 -0.438 0.000 2.131 258 L HA -0.066 4.274 4.340 -0.001 0.000 0.206 258 L C 3.028 179.583 176.870 -0.525 0.000 1.087 258 L CA 0.856 55.296 54.840 -0.667 0.000 0.767 258 L CB -0.460 40.786 42.059 -1.355 0.000 0.917 258 L HN 0.407 nan 8.230 nan 0.000 0.441 259 A N -0.085 122.503 122.820 -0.387 0.000 1.969 259 A HA -0.109 4.210 4.320 -0.001 0.000 0.218 259 A C 2.200 179.779 177.584 -0.008 0.000 1.169 259 A CA 1.217 53.254 52.037 0.001 0.000 0.635 259 A CB -0.561 18.514 19.000 0.126 0.000 0.810 259 A HN 0.364 nan 8.150 nan 0.000 0.445 260 L N -1.209 119.980 121.223 -0.057 0.000 2.478 260 L HA 0.085 4.424 4.340 -0.001 0.000 0.223 260 L C 1.666 178.518 176.870 -0.030 0.000 1.140 260 L CA 0.606 55.427 54.840 -0.032 0.000 0.842 260 L CB -0.335 41.701 42.059 -0.037 0.000 0.953 260 L HN 0.609 nan 8.230 nan 0.000 0.452 261 G N -0.348 108.420 108.800 -0.053 0.000 2.176 261 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.252 261 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.252 261 G C 0.977 175.859 174.900 -0.030 0.000 1.024 261 G CA 0.448 45.525 45.100 -0.038 0.000 0.755 261 G HN 0.450 nan 8.290 nan 0.000 0.507 262 A N -1.066 121.725 122.820 -0.049 0.000 1.969 262 A HA 0.562 4.881 4.320 -0.001 0.000 0.218 262 A C 1.717 179.274 177.584 -0.044 0.000 1.169 262 A CA 1.994 54.020 52.037 -0.019 0.000 0.635 262 A CB 0.092 19.068 19.000 -0.039 0.000 0.810 262 A HN 2.197 nan 8.150 nan 0.000 0.445 263 G N -4.209 104.539 108.800 -0.087 0.000 2.600 263 G HA2 0.460 4.419 3.960 -0.001 0.000 0.293 263 G HA3 0.460 4.419 3.960 -0.001 0.000 0.293 263 G C 0.135 174.981 174.900 -0.089 0.000 1.408 263 G CA 0.248 45.297 45.100 -0.084 0.000 0.782 263 G HN 0.705 nan 8.290 nan 0.000 0.482 264 G N -1.456 107.310 108.800 -0.057 0.000 3.342 264 G HA2 0.483 4.442 3.960 -0.001 0.000 0.252 264 G HA3 0.483 4.442 3.960 -0.001 0.000 0.252 264 G C -0.494 174.386 174.900 -0.034 0.000 1.011 264 G CA 0.316 45.394 45.100 -0.036 0.000 0.869 264 G HN 0.949 nan 8.290 nan 0.000 0.514 265 V N 1.059 120.931 119.914 -0.070 0.000 2.932 265 V HA 0.500 4.620 4.120 -0.001 0.000 0.307 265 V C -1.126 174.865 176.094 -0.173 0.000 1.147 265 V CA -0.753 61.495 62.300 -0.087 0.000 0.951 265 V CB 2.454 34.225 31.823 -0.088 0.000 1.031 265 V HN 0.120 nan 8.190 nan 0.000 0.426 266 I N 2.889 123.334 120.570 -0.208 0.000 2.406 266 I HA 0.391 4.560 4.170 -0.001 0.000 0.290 266 I C 0.111 175.899 176.117 -0.549 0.000 0.999 266 I CA -0.374 60.743 61.300 -0.304 0.000 1.124 266 I CB 1.700 39.547 38.000 -0.255 0.000 1.289 266 I HN 0.699 nan 8.210 nan 0.000 0.441 267 N N 6.255 124.549 118.700 -0.677 0.000 2.399 267 N HA 0.198 4.937 4.740 -0.001 0.000 0.259 267 N C -1.048 174.076 175.510 -0.643 0.000 1.160 267 N CA -0.579 51.791 53.050 -1.134 0.000 0.946 267 N CB 0.590 38.550 38.487 -0.877 0.000 1.156 267 N HN 0.341 nan 8.380 nan 0.000 0.489 268 L N 4.322 125.211 121.223 -0.556 0.000 2.262 268 L HA 0.388 4.727 4.340 -0.001 0.000 0.288 268 L C -0.849 175.944 176.870 -0.128 0.000 1.035 268 L CA -0.313 54.383 54.840 -0.242 0.000 0.820 268 L CB 0.660 42.621 42.059 -0.164 0.000 1.204 268 L HN 0.409 nan 8.230 nan 0.000 0.424 269 K N 4.368 124.709 120.400 -0.099 0.000 2.339 269 K HA 0.239 4.559 4.320 -0.001 0.000 0.264 269 K C 0.659 177.234 176.600 -0.042 0.000 0.986 269 K CA -0.442 55.807 56.287 -0.064 0.000 0.866 269 K CB 2.343 34.809 32.500 -0.057 0.000 1.103 269 K HN 0.525 nan 8.250 nan 0.000 0.441 270 V N 3.156 123.036 119.914 -0.057 0.000 2.407 270 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 270 V C 1.784 177.807 176.094 -0.118 0.000 1.055 270 V CA 2.678 64.916 62.300 -0.104 0.000 1.049 270 V CB -0.131 31.570 31.823 -0.204 0.000 0.662 270 V HN 0.919 nan 8.190 nan 0.000 0.455 271 A N -0.194 122.567 122.820 -0.097 0.000 1.930 271 A HA -0.113 4.206 4.320 -0.001 0.000 0.215 271 A C 2.391 179.968 177.584 -0.010 0.000 1.176 271 A CA 1.394 53.389 52.037 -0.071 0.000 0.632 271 A CB -0.632 18.328 19.000 -0.067 0.000 0.819 271 A HN 0.556 nan 8.150 nan 0.000 0.445 272 R N 0.257 120.770 120.500 0.022 0.000 2.127 272 R HA -0.121 4.219 4.340 -0.001 0.000 0.238 272 R C 1.725 178.051 176.300 0.044 0.000 1.134 272 R CA 1.967 58.112 56.100 0.075 0.000 0.975 272 R CB -0.273 30.104 30.300 0.129 0.000 0.865 272 R HN 0.529 nan 8.270 nan 0.000 0.447 273 V N -3.469 116.454 119.914 0.014 0.000 3.649 273 V HA 0.394 4.514 4.120 -0.001 0.000 0.275 273 V C 0.847 176.948 176.094 0.011 0.000 1.281 273 V CA 0.757 63.063 62.300 0.012 0.000 1.143 273 V CB 0.484 32.308 31.823 0.002 0.000 0.892 273 V HN 0.432 nan 8.190 nan 0.000 0.441 274 G N -1.547 107.253 108.800 0.001 0.000 2.154 274 G HA2 0.344 4.303 3.960 -0.001 0.000 0.186 274 G HA3 0.344 4.303 3.960 -0.001 0.000 0.186 274 G C 0.979 175.871 174.900 -0.013 0.000 1.000 274 G CA -0.025 45.076 45.100 0.001 0.000 0.664 274 G HN 2.269 nan 8.290 nan 0.000 0.513 275 G N -1.649 107.117 108.800 -0.056 0.000 2.373 275 G HA2 0.181 4.140 3.960 -0.001 0.000 0.634 275 G HA3 0.181 4.140 3.960 -0.001 0.000 0.634 275 G C 0.264 175.101 174.900 -0.106 0.000 1.267 275 G CA 0.431 45.467 45.100 -0.107 0.000 1.008 275 G HN 0.565 nan 8.290 nan 0.000 0.497 276 H N -0.093 118.960 119.070 -0.028 0.000 2.357 276 H HA 0.021 4.576 4.556 -0.001 0.000 0.301 276 H C 3.085 178.327 175.328 -0.143 0.000 1.082 276 H CA 2.512 58.437 56.048 -0.205 0.000 1.342 276 H CB -0.509 28.869 29.762 -0.640 0.000 1.389 276 H HN 0.748 nan 8.280 nan 0.000 0.511 277 A N 1.070 123.991 122.820 0.169 0.000 1.877 277 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 277 A C 2.391 180.053 177.584 0.130 0.000 1.186 277 A CA 1.915 54.078 52.037 0.210 0.000 0.620 277 A CB -0.367 18.853 19.000 0.366 0.000 0.822 277 A HN 0.351 nan 8.150 nan 0.000 0.443 278 E N 0.199 120.465 120.200 0.108 0.000 2.153 278 E HA -0.097 4.252 4.350 -0.001 0.000 0.194 278 E C 2.160 178.796 176.600 0.060 0.000 0.988 278 E CA 1.491 57.934 56.400 0.073 0.000 0.811 278 E CB -0.266 29.465 29.700 0.052 0.000 0.746 278 E HN 0.496 nan 8.360 nan 0.000 0.466 279 S N -0.074 115.658 115.700 0.052 0.000 2.356 279 S HA -0.168 4.302 4.470 -0.001 0.000 0.223 279 S C 1.907 176.574 174.600 0.111 0.000 1.032 279 S CA 1.293 59.531 58.200 0.064 0.000 1.005 279 S CB -0.324 62.911 63.200 0.059 0.000 0.867 279 S HN 0.305 nan 8.310 nan 0.000 0.449 280 R N 1.152 121.716 120.500 0.106 0.000 2.105 280 R HA -0.045 4.294 4.340 -0.001 0.000 0.239 280 R C 2.370 178.780 176.300 0.185 0.000 1.135 280 R CA 1.262 57.454 56.100 0.153 0.000 0.967 280 R CB -0.098 30.256 30.300 0.091 0.000 0.861 280 R HN 0.290 nan 8.270 nan 0.000 0.442 281 R N -0.313 120.259 120.500 0.119 0.000 2.081 281 R HA -0.089 4.251 4.340 -0.001 0.000 0.235 281 R C 2.315 178.654 176.300 0.066 0.000 1.131 281 R CA 1.571 57.725 56.100 0.090 0.000 0.960 281 R CB -0.373 29.971 30.300 0.074 0.000 0.856 281 R HN 0.092 nan 8.270 nan 0.000 0.436 282 V N 0.484 120.432 119.914 0.057 0.000 2.287 282 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 282 V C 2.278 178.375 176.094 0.005 0.000 1.053 282 V CA 2.329 64.639 62.300 0.016 0.000 1.027 282 V CB -0.661 31.157 31.823 -0.009 0.000 0.646 282 V HN 0.448 nan 8.190 nan 0.000 0.447 283 H N 0.458 119.488 119.070 -0.068 0.000 2.352 283 H HA -0.189 4.366 4.556 -0.001 0.000 0.299 283 H C 1.921 177.221 175.328 -0.047 0.000 1.097 283 H CA 2.304 58.284 56.048 -0.113 0.000 1.311 283 H CB -0.173 29.541 29.762 -0.081 0.000 1.377 283 H HN 0.413 nan 8.280 nan 0.000 0.504 284 D N -0.269 120.032 120.400 -0.166 0.000 2.194 284 D HA -0.086 4.553 4.640 -0.001 0.000 0.204 284 D C 2.446 178.693 176.300 -0.088 0.000 0.964 284 D CA 1.008 54.895 54.000 -0.188 0.000 0.846 284 D CB -0.199 40.589 40.800 -0.020 0.000 0.962 284 D HN 0.321 nan 8.370 nan 0.000 0.490 285 V N 1.544 121.450 119.914 -0.013 0.000 2.295 285 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 285 V C 2.540 178.724 176.094 0.151 0.000 1.049 285 V CA 1.792 64.139 62.300 0.078 0.000 1.024 285 V CB -0.782 31.097 31.823 0.093 0.000 0.648 285 V HN 0.169 nan 8.190 nan 0.000 0.447 286 A N -0.804 122.033 122.820 0.029 0.000 1.851 286 A HA -0.360 3.959 4.320 -0.001 0.000 0.216 286 A C 2.239 179.840 177.584 0.028 0.000 1.195 286 A CA 2.395 54.438 52.037 0.011 0.000 0.622 286 A CB -0.750 18.189 19.000 -0.100 0.000 0.831 286 A HN 0.581 nan 8.150 nan 0.000 0.444 287 Q N 0.027 119.766 119.800 -0.102 0.000 2.133 287 Q HA -0.232 4.107 4.340 -0.001 0.000 0.208 287 Q C 2.236 178.214 176.000 -0.036 0.000 0.991 287 Q CA 2.485 58.225 55.803 -0.105 0.000 0.867 287 Q CB -0.234 28.367 28.738 -0.229 0.000 0.911 287 Q HN 0.833 nan 8.270 nan 0.000 0.417 288 S N -1.101 114.583 115.700 -0.027 0.000 2.447 288 S HA -0.091 4.379 4.470 -0.001 0.000 0.233 288 S C 1.287 175.796 174.600 -0.151 0.000 1.006 288 S CA 0.628 58.777 58.200 -0.084 0.000 0.957 288 S CB -0.296 62.834 63.200 -0.117 0.000 0.773 288 S HN 0.413 nan 8.310 nan 0.000 0.507 289 F N 1.927 121.845 119.950 -0.053 0.000 2.765 289 F HA 0.383 4.909 4.527 -0.001 0.000 0.302 289 F C 1.931 177.711 175.800 -0.035 0.000 1.111 289 F CA 0.132 58.108 58.000 -0.040 0.000 1.359 289 F CB -0.163 38.812 39.000 -0.042 0.000 1.097 289 F HN 0.383 nan 8.300 nan 0.000 0.577 290 G N 0.922 109.782 108.800 0.101 0.000 2.179 290 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.257 290 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.257 290 G C 0.184 175.122 174.900 0.063 0.000 1.010 290 G CA 0.107 45.244 45.100 0.061 0.000 0.736 290 G HN 0.647 nan 8.290 nan 0.000 0.513 291 A N 0.620 123.481 122.820 0.068 0.000 2.301 291 A HA 0.855 5.174 4.320 -0.001 0.000 0.312 291 A C -1.513 176.067 177.584 -0.006 0.000 1.182 291 A CA -1.374 50.677 52.037 0.024 0.000 0.826 291 A CB 1.550 20.542 19.000 -0.013 0.000 1.134 291 A HN 0.209 nan 8.150 nan 0.000 0.501 292 P HA 0.406 nan 4.420 nan 0.000 0.279 292 P C -0.307 176.970 177.300 -0.037 0.000 1.252 292 P CA -0.137 62.968 63.100 0.008 0.000 0.811 292 P CB 1.367 33.113 31.700 0.077 0.000 1.035 293 V N -0.834 119.009 119.914 -0.117 0.000 3.019 293 V HA 0.833 4.953 4.120 -0.001 0.000 0.317 293 V C -0.736 175.320 176.094 -0.064 0.000 1.094 293 V CA -0.852 61.306 62.300 -0.236 0.000 1.000 293 V CB 2.189 33.710 31.823 -0.503 0.000 1.060 293 V HN 0.794 nan 8.190 nan 0.000 0.443 294 W N 0.224 121.462 121.300 -0.104 0.000 3.062 294 W HA 0.659 5.319 4.660 -0.000 0.000 0.336 294 W C -1.229 175.468 176.519 0.295 0.000 1.224 294 W CA -1.407 56.039 57.345 0.169 0.000 1.159 294 W CB 1.159 30.704 29.460 0.141 0.000 1.454 294 W HN 0.858 nan 8.180 nan 0.000 0.569 295 C N 2.986 122.675 119.300 0.647 0.000 2.373 295 C HA 0.654 5.113 4.460 -0.001 0.000 0.354 295 C C 1.091 176.222 174.990 0.235 0.000 1.249 295 C CA 0.537 59.769 59.018 0.357 0.000 1.784 295 C CB -1.023 26.826 27.740 0.183 0.000 2.408 295 C HN 0.766 nan 8.230 nan 0.000 0.542 296 G N 4.173 112.929 108.800 -0.072 0.000 2.476 296 G HA2 0.617 4.576 3.960 -0.001 0.000 0.286 296 G HA3 0.617 4.576 3.960 -0.001 0.000 0.286 296 G C 0.025 174.934 174.900 0.014 0.000 1.177 296 G CA 0.096 45.158 45.100 -0.064 0.000 0.870 296 G HN 1.157 nan 8.290 nan 0.000 0.528 297 G N -1.136 107.682 108.800 0.031 0.000 2.600 297 G HA2 0.560 4.519 3.960 -0.001 0.000 0.303 297 G HA3 0.560 4.519 3.960 -0.001 0.000 0.303 297 G C -0.565 174.262 174.900 -0.121 0.000 1.253 297 G CA -0.771 44.308 45.100 -0.036 0.000 0.974 297 G HN 0.563 nan 8.290 nan 0.000 0.483 298 M N 1.354 120.864 119.600 -0.151 0.000 4.568 298 M HA 0.220 4.700 4.480 -0.001 0.000 0.533 298 M C -0.253 175.956 176.300 -0.151 0.000 2.143 298 M CA -0.338 54.850 55.300 -0.186 0.000 0.483 298 M CB 0.270 32.725 32.600 -0.242 0.000 1.438 298 M HN 0.413 nan 8.290 nan 0.000 0.591 299 L N 1.051 122.129 121.223 -0.240 0.000 3.634 299 L HA -0.234 4.105 4.340 -0.001 0.000 0.423 299 L C -0.382 176.486 176.870 -0.004 0.000 1.253 299 L CA 1.084 55.746 54.840 -0.297 0.000 0.885 299 L CB -1.436 40.519 42.059 -0.174 0.000 1.789 299 L HN 0.506 nan 8.230 nan 0.000 0.904 300 E N -0.594 119.599 120.200 -0.012 0.000 2.383 300 E HA 0.462 4.811 4.350 -0.001 0.000 0.264 300 E C 0.911 177.704 176.600 0.323 0.000 1.050 300 E CA 0.598 57.071 56.400 0.122 0.000 0.896 300 E CB 0.609 30.338 29.700 0.049 0.000 0.982 300 E HN 0.451 nan 8.360 nan 0.000 0.424 301 S N 1.129 116.941 115.700 0.188 0.000 2.641 301 S HA 0.108 4.577 4.470 -0.001 0.000 0.251 301 S C 1.465 176.109 174.600 0.073 0.000 1.332 301 S CA -0.220 57.964 58.200 -0.026 0.000 0.968 301 S CB 0.646 63.680 63.200 -0.277 0.000 0.987 301 S HN 0.617 nan 8.310 nan 0.000 0.587 302 G N -0.242 108.570 108.800 0.020 0.000 2.509 302 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.218 302 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.218 302 G C 1.201 176.144 174.900 0.071 0.000 1.124 302 G CA 0.503 45.644 45.100 0.068 0.000 0.776 302 G HN 0.572 nan 8.290 nan 0.000 0.547 303 I N 1.797 122.403 120.570 0.060 0.000 2.110 303 I HA -0.068 4.101 4.170 -0.001 0.000 0.236 303 I C 3.055 179.295 176.117 0.206 0.000 1.068 303 I CA 1.546 62.915 61.300 0.114 0.000 1.333 303 I CB -1.556 36.498 38.000 0.090 0.000 1.054 303 I HN 0.218 nan 8.210 nan 0.000 0.402 304 G N 0.451 109.336 108.800 0.141 0.000 2.446 304 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.217 304 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.217 304 G C 1.916 176.898 174.900 0.136 0.000 1.168 304 G CA 0.898 46.073 45.100 0.125 0.000 0.771 304 G HN 0.305 nan 8.290 nan 0.000 0.551 305 R N 0.490 121.056 120.500 0.110 0.000 2.105 305 R HA -0.009 4.331 4.340 -0.001 0.000 0.239 305 R C 2.834 179.193 176.300 0.098 0.000 1.135 305 R CA 1.514 57.670 56.100 0.094 0.000 0.967 305 R CB -0.325 30.038 30.300 0.105 0.000 0.861 305 R HN 0.320 nan 8.270 nan 0.000 0.442 306 A N 0.118 123.005 122.820 0.112 0.000 1.897 306 A HA -0.151 4.168 4.320 -0.001 0.000 0.215 306 A C 1.881 179.557 177.584 0.154 0.000 1.181 306 A CA 1.238 53.338 52.037 0.105 0.000 0.620 306 A CB -0.762 18.278 19.000 0.068 0.000 0.821 306 A HN 0.422 nan 8.150 nan 0.000 0.443 307 H N 0.193 119.346 119.070 0.140 0.000 2.319 307 H HA -0.119 4.436 4.556 -0.001 0.000 0.299 307 H C 1.887 177.318 175.328 0.171 0.000 1.092 307 H CA 1.834 57.996 56.048 0.190 0.000 1.302 307 H CB -0.108 29.759 29.762 0.175 0.000 1.373 307 H HN 0.427 nan 8.280 nan 0.000 0.497 308 N N 0.766 119.584 118.700 0.198 0.000 2.120 308 N HA -0.104 4.636 4.740 -0.001 0.000 0.188 308 N C 2.213 177.703 175.510 -0.034 0.000 1.024 308 N CA 0.704 53.792 53.050 0.063 0.000 0.852 308 N CB -0.385 38.120 38.487 0.031 0.000 1.003 308 N HN 0.365 nan 8.380 nan 0.000 0.424 309 I N 0.514 121.067 120.570 -0.028 0.000 2.226 309 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 309 I C 2.180 178.158 176.117 -0.231 0.000 1.100 309 I CA 1.024 62.242 61.300 -0.136 0.000 1.374 309 I CB -0.327 37.591 38.000 -0.136 0.000 1.057 309 I HN 0.252 nan 8.210 nan 0.000 0.413 310 H N 0.150 119.143 119.070 -0.130 0.000 2.353 310 H HA -0.177 4.378 4.556 -0.001 0.000 0.300 310 H C 2.185 177.374 175.328 -0.230 0.000 1.090 310 H CA 1.678 57.620 56.048 -0.176 0.000 1.327 310 H CB -0.214 29.426 29.762 -0.203 0.000 1.383 310 H HN 0.214 nan 8.280 nan 0.000 0.508 311 L N 0.931 122.106 121.223 -0.080 0.000 2.079 311 L HA -0.124 4.215 4.340 -0.001 0.000 0.210 311 L C 2.167 178.694 176.870 -0.572 0.000 1.081 311 L CA 1.399 56.123 54.840 -0.193 0.000 0.752 311 L CB -0.535 41.514 42.059 -0.017 0.000 0.896 311 L HN -0.021 nan 8.230 nan 0.000 0.433 312 S N -1.198 114.087 115.700 -0.692 0.000 2.507 312 S HA -0.123 4.346 4.470 -0.001 0.000 0.235 312 S C 1.740 176.027 174.600 -0.521 0.000 0.988 312 S CA 1.118 58.712 58.200 -1.010 0.000 0.944 312 S CB -0.729 62.133 63.200 -0.564 0.000 0.762 312 S HN 0.790 nan 8.310 nan 0.000 0.526 313 T N -0.028 114.322 114.554 -0.339 0.000 3.051 313 T HA 0.082 4.431 4.350 -0.001 0.000 0.269 313 T C 0.555 175.156 174.700 -0.166 0.000 1.127 313 T CA 0.172 62.145 62.100 -0.210 0.000 1.107 313 T CB -0.452 68.311 68.868 -0.176 0.000 0.898 313 T HN 0.010 nan 8.240 nan 0.000 0.517 314 L N 2.997 124.126 121.223 -0.156 0.000 2.461 314 L HA 0.244 4.583 4.340 -0.001 0.000 0.272 314 L C 1.915 178.846 176.870 0.102 0.000 1.197 314 L CA 0.348 55.135 54.840 -0.088 0.000 0.836 314 L CB 0.792 42.651 42.059 -0.333 0.000 1.105 314 L HN 0.359 nan 8.230 nan 0.000 0.477 315 S N 0.660 116.443 115.700 0.140 0.000 2.423 315 S HA -0.139 4.330 4.470 -0.001 0.000 0.231 315 S C 1.287 176.039 174.600 0.254 0.000 1.014 315 S CA 1.141 59.431 58.200 0.151 0.000 0.965 315 S CB -0.501 62.761 63.200 0.104 0.000 0.785 315 S HN 0.760 nan 8.310 nan 0.000 0.495 316 N N -0.260 118.731 118.700 0.486 0.000 2.383 316 N HA 0.123 4.863 4.740 -0.001 0.000 0.192 316 N C -0.988 174.609 175.510 0.146 0.000 1.141 316 N CA -0.201 52.988 53.050 0.232 0.000 0.851 316 N CB -0.010 38.443 38.487 -0.056 0.000 0.976 316 N HN 0.333 nan 8.380 nan 0.000 0.465 317 F N 1.255 121.312 119.950 0.178 0.000 2.652 317 F HA 0.225 4.751 4.527 -0.001 0.000 0.352 317 F C 1.070 176.942 175.800 0.120 0.000 1.259 317 F CA -0.156 57.924 58.000 0.134 0.000 1.249 317 F CB 0.351 39.392 39.000 0.068 0.000 1.628 317 F HN -0.104 nan 8.300 nan 0.000 0.654 318 R N 1.557 122.189 120.500 0.220 0.000 2.427 318 R HA 0.336 4.676 4.340 -0.001 0.000 0.262 318 R C -0.373 176.023 176.300 0.160 0.000 0.943 318 R CA 0.025 56.224 56.100 0.164 0.000 1.081 318 R CB 0.374 30.743 30.300 0.115 0.000 1.166 318 R HN 0.398 nan 8.270 nan 0.000 0.534 319 L N 0.815 122.170 121.223 0.221 0.000 2.354 319 L HA 0.529 4.868 4.340 -0.001 0.000 0.264 319 L C -2.475 174.516 176.870 0.202 0.000 1.008 319 L CA -2.758 52.186 54.840 0.174 0.000 0.819 319 L CB 2.133 44.295 42.059 0.172 0.000 1.339 319 L HN -0.241 nan 8.230 nan 0.000 0.420 320 P HA 0.169 nan 4.420 nan 0.000 0.269 320 P C -0.425 176.970 177.300 0.158 0.000 1.215 320 P CA -0.167 62.993 63.100 0.101 0.000 0.780 320 P CB 0.705 32.424 31.700 0.032 0.000 0.898 321 G N 0.315 109.247 108.800 0.221 0.000 2.537 321 G HA2 0.320 4.280 3.960 -0.001 0.000 0.323 321 G HA3 0.320 4.280 3.960 -0.001 0.000 0.323 321 G C -0.928 174.116 174.900 0.240 0.000 1.207 321 G CA -0.525 44.784 45.100 0.348 0.000 0.976 321 G HN 0.313 nan 8.290 nan 0.000 0.487 322 D N 1.331 121.905 120.400 0.289 0.000 2.631 322 D HA 0.201 4.840 4.640 -0.001 0.000 0.227 322 D C 0.638 177.021 176.300 0.138 0.000 1.146 322 D CA 0.139 54.252 54.000 0.189 0.000 1.009 322 D CB 0.263 41.183 40.800 0.200 0.000 1.057 322 D HN 0.362 nan 8.370 nan 0.000 0.509 323 T N -2.343 112.291 114.554 0.132 0.000 3.416 323 T HA 0.237 4.586 4.350 -0.001 0.000 0.245 323 T C 0.691 175.475 174.700 0.141 0.000 1.081 323 T CA -0.799 61.365 62.100 0.106 0.000 1.190 323 T CB 0.011 68.915 68.868 0.059 0.000 1.068 323 T HN 0.079 nan 8.240 nan 0.000 0.580 324 S N 0.905 116.729 115.700 0.207 0.000 2.641 324 S HA 0.485 4.954 4.470 -0.001 0.000 0.261 324 S C 0.460 175.210 174.600 0.251 0.000 1.257 324 S CA -0.605 57.746 58.200 0.251 0.000 0.983 324 S CB 0.427 63.805 63.200 0.297 0.000 0.990 324 S HN 0.390 nan 8.310 nan 0.000 0.572 325 S N 0.796 116.608 115.700 0.187 0.000 2.552 325 S HA 0.302 4.772 4.470 -0.001 0.000 0.289 325 S C 1.498 176.230 174.600 0.220 0.000 1.304 325 S CA -0.081 58.206 58.200 0.144 0.000 1.063 325 S CB 0.426 63.669 63.200 0.071 0.000 0.848 325 S HN 0.951 nan 8.310 nan 0.000 0.499 326 A N 3.300 126.263 122.820 0.239 0.000 2.015 326 A HA -0.080 4.239 4.320 -0.001 0.000 0.219 326 A C 2.255 180.021 177.584 0.302 0.000 1.163 326 A CA 1.541 53.797 52.037 0.365 0.000 0.646 326 A CB -0.790 18.405 19.000 0.326 0.000 0.806 326 A HN 0.892 nan 8.150 nan 0.000 0.448 327 S N 0.074 115.865 115.700 0.152 0.000 2.447 327 S HA -0.138 4.331 4.470 -0.001 0.000 0.233 327 S C 1.752 176.329 174.600 -0.039 0.000 1.006 327 S CA 0.898 59.144 58.200 0.077 0.000 0.957 327 S CB -0.456 62.769 63.200 0.042 0.000 0.773 327 S HN 0.658 nan 8.310 nan 0.000 0.507 328 R N -0.414 119.993 120.500 -0.155 0.000 2.237 328 R HA 0.038 4.377 4.340 -0.001 0.000 0.219 328 R C 1.177 177.078 176.300 -0.666 0.000 1.080 328 R CA 1.375 57.222 56.100 -0.421 0.000 0.995 328 R CB -0.329 29.620 30.300 -0.586 0.000 0.875 328 R HN 0.602 nan 8.270 nan 0.000 0.462 329 Y N -2.109 118.030 120.300 -0.267 0.000 2.607 329 Y HA 0.140 4.690 4.550 -0.001 0.000 0.276 329 Y C 0.301 175.789 175.900 -0.687 0.000 1.117 329 Y CA -0.445 57.268 58.100 -0.644 0.000 1.273 329 Y CB 0.561 38.389 38.460 -1.053 0.000 1.282 329 Y HN -0.056 nan 8.280 nan 0.000 0.514 330 W N 0.210 121.596 121.300 0.144 0.000 2.739 330 W HA 0.407 5.067 4.660 -0.001 0.000 0.331 330 W C 0.835 177.374 176.519 0.033 0.000 1.049 330 W CA -0.767 56.630 57.345 0.087 0.000 1.234 330 W CB 1.245 30.767 29.460 0.103 0.000 1.404 330 W HN -0.330 nan 8.180 nan 0.000 0.477 331 E N 1.472 121.815 120.200 0.238 0.000 2.118 331 E HA -0.150 4.199 4.350 -0.001 0.000 0.195 331 E C 0.166 176.820 176.600 0.090 0.000 0.992 331 E CA 1.292 57.764 56.400 0.120 0.000 0.804 331 E CB 0.183 29.934 29.700 0.084 0.000 0.741 331 E HN 0.413 nan 8.360 nan 0.000 0.458 332 R N 0.042 120.612 120.500 0.116 0.000 2.535 332 R HA 0.185 4.524 4.340 -0.001 0.000 0.274 332 R C -1.457 174.814 176.300 -0.049 0.000 1.090 332 R CA -0.607 55.446 56.100 -0.078 0.000 0.930 332 R CB 1.136 31.197 30.300 -0.398 0.000 1.223 332 R HN -0.131 nan 8.270 nan 0.000 0.441 333 D N 2.743 123.095 120.400 -0.081 0.000 2.340 333 D HA 0.180 4.819 4.640 -0.001 0.000 0.251 333 D C 0.637 176.925 176.300 -0.020 0.000 1.080 333 D CA -0.488 53.457 54.000 -0.091 0.000 0.971 333 D CB 1.420 42.214 40.800 -0.009 0.000 1.137 333 D HN 0.420 nan 8.370 nan 0.000 0.475 334 L N 0.501 121.721 121.223 -0.004 0.000 2.653 334 L HA 0.346 4.685 4.340 -0.001 0.000 0.232 334 L C 0.435 177.346 176.870 0.069 0.000 1.169 334 L CA -0.177 54.745 54.840 0.138 0.000 0.951 334 L CB -1.372 40.707 42.059 0.032 0.000 1.181 334 L HN 0.282 nan 8.230 nan 0.000 0.460 335 I N -4.282 116.303 120.570 0.026 0.000 2.910 335 I HA 0.485 4.654 4.170 -0.001 0.000 0.310 335 I C 0.730 176.855 176.117 0.013 0.000 1.043 335 I CA -0.750 60.564 61.300 0.023 0.000 1.053 335 I CB 1.615 39.626 38.000 0.018 0.000 1.242 335 I HN -0.090 nan 8.210 nan 0.000 0.452 336 Q N 0.744 120.552 119.800 0.013 0.000 2.245 336 Q HA 0.046 4.385 4.340 -0.001 0.000 0.201 336 Q C -0.447 175.553 176.000 -0.000 0.000 0.955 336 Q CA 0.917 56.722 55.803 0.003 0.000 0.870 336 Q CB 0.051 28.794 28.738 0.008 0.000 0.945 336 Q HN 0.636 nan 8.270 nan 0.000 0.461 337 E N 1.991 122.195 120.200 0.007 0.000 2.227 337 E HA 0.173 4.522 4.350 -0.001 0.000 0.282 337 E C -2.391 174.219 176.600 0.017 0.000 1.015 337 E CA -2.258 54.147 56.400 0.009 0.000 0.823 337 E CB 0.676 30.383 29.700 0.012 0.000 1.081 337 E HN 0.001 nan 8.360 nan 0.000 0.396 338 P HA 0.140 nan 4.420 nan 0.000 0.287 338 P C -0.832 176.488 177.300 0.034 0.000 1.281 338 P CA -0.278 62.839 63.100 0.027 0.000 0.781 338 P CB 0.670 32.380 31.700 0.016 0.000 0.903 339 L N 3.965 125.222 121.223 0.057 0.000 2.287 339 L HA 0.348 4.687 4.340 -0.001 0.000 0.280 339 L C 0.555 177.461 176.870 0.060 0.000 1.055 339 L CA -0.115 54.758 54.840 0.055 0.000 0.863 339 L CB 0.380 42.484 42.059 0.074 0.000 1.245 339 L HN 0.208 nan 8.230 nan 0.000 0.432 340 E N 2.921 123.140 120.200 0.032 0.000 2.216 340 E HA 0.496 4.845 4.350 -0.001 0.000 0.260 340 E C -0.551 176.050 176.600 0.000 0.000 0.880 340 E CA -0.478 55.937 56.400 0.024 0.000 0.765 340 E CB 2.473 32.182 29.700 0.014 0.000 1.174 340 E HN 0.513 nan 8.360 nan 0.000 0.417 341 A N 2.425 125.242 122.820 -0.004 0.000 2.371 341 A HA 0.533 4.852 4.320 -0.001 0.000 0.257 341 A C -0.140 177.397 177.584 -0.077 0.000 1.089 341 A CA -0.381 51.631 52.037 -0.042 0.000 0.794 341 A CB 0.673 19.645 19.000 -0.047 0.000 1.029 341 A HN 0.331 nan 8.150 nan 0.000 0.488 342 V N 2.088 121.949 119.914 -0.089 0.000 2.577 342 V HA 0.378 4.497 4.120 -0.001 0.000 0.303 342 V C -0.090 175.935 176.094 -0.116 0.000 1.042 342 V CA 0.248 62.490 62.300 -0.096 0.000 0.872 342 V CB 1.386 33.173 31.823 -0.061 0.000 0.998 342 V HN 1.154 nan 8.190 nan 0.000 0.423 343 D N 4.003 124.315 120.400 -0.147 0.000 2.772 343 D HA -0.169 4.471 4.640 -0.001 0.000 0.233 343 D C 1.187 177.391 176.300 -0.160 0.000 1.143 343 D CA 2.120 56.036 54.000 -0.140 0.000 0.700 343 D CB -1.031 39.720 40.800 -0.082 0.000 1.076 343 D HN 1.684 nan 8.370 nan 0.000 0.430 344 G N -1.221 107.425 108.800 -0.256 0.000 2.153 344 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.252 344 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.252 344 G C 0.200 175.045 174.900 -0.091 0.000 0.994 344 G CA 0.419 45.394 45.100 -0.207 0.000 0.698 344 G HN 0.600 nan 8.290 nan 0.000 0.521 345 L N -0.371 120.801 121.223 -0.085 0.000 2.349 345 L HA 0.666 5.006 4.340 -0.001 0.000 0.278 345 L C 0.102 176.944 176.870 -0.047 0.000 0.996 345 L CA -1.085 53.724 54.840 -0.050 0.000 0.825 345 L CB 1.829 43.861 42.059 -0.045 0.000 1.243 345 L HN 0.165 nan 8.230 nan 0.000 0.412 346 M N 7.187 126.767 119.600 -0.033 0.000 2.113 346 M HA 0.456 4.936 4.480 -0.001 0.000 0.352 346 M C -2.447 173.822 176.300 -0.050 0.000 1.170 346 M CA -2.074 53.207 55.300 -0.031 0.000 1.053 346 M CB 0.921 33.512 32.600 -0.015 0.000 1.601 346 M HN 0.085 nan 8.290 nan 0.000 0.459 347 P HA 0.082 nan 4.420 nan 0.000 0.271 347 P C -0.849 176.395 177.300 -0.093 0.000 1.216 347 P CA -0.290 62.773 63.100 -0.061 0.000 0.771 347 P CB 0.388 32.062 31.700 -0.043 0.000 0.864 348 V N 6.196 126.031 119.914 -0.132 0.000 2.485 348 V HA 0.077 4.197 4.120 -0.001 0.000 0.287 348 V C -1.580 174.425 176.094 -0.147 0.000 1.022 348 V CA -1.014 61.148 62.300 -0.229 0.000 1.067 348 V CB -0.153 31.502 31.823 -0.281 0.000 0.967 348 V HN 0.590 nan 8.190 nan 0.000 0.479 349 P HA 0.174 nan 4.420 nan 0.000 0.267 349 P C -0.754 176.565 177.300 0.032 0.000 1.205 349 P CA -0.391 62.702 63.100 -0.013 0.000 0.765 349 P CB 0.512 32.231 31.700 0.032 0.000 0.828 350 Q N 1.485 121.294 119.800 0.015 0.000 2.354 350 Q HA 0.609 4.949 4.340 -0.001 0.000 0.244 350 Q C 0.966 176.980 176.000 0.023 0.000 0.969 350 Q CA 0.312 56.126 55.803 0.018 0.000 0.885 350 Q CB 0.339 29.078 28.738 0.002 0.000 1.241 350 Q HN 0.854 nan 8.270 nan 0.000 0.461 351 G N 0.752 109.561 108.800 0.015 0.000 2.408 351 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.682 351 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.682 351 G C -2.978 171.905 174.900 -0.029 0.000 1.303 351 G CA -1.039 44.057 45.100 -0.008 0.000 0.966 351 G HN 0.553 nan 8.290 nan 0.000 0.560 352 P HA 0.479 nan 4.420 nan 0.000 0.274 352 P C 1.312 178.524 177.300 -0.146 0.000 1.231 352 P CA 1.523 64.565 63.100 -0.095 0.000 0.790 352 P CB 0.927 32.574 31.700 -0.088 0.000 0.951 353 G N 2.322 111.005 108.800 -0.196 0.000 2.651 353 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.315 353 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.315 353 G C 1.135 175.735 174.900 -0.500 0.000 1.258 353 G CA 1.426 46.362 45.100 -0.274 0.000 1.002 353 G HN 0.707 nan 8.290 nan 0.000 0.551 354 T N -0.994 113.284 114.554 -0.461 0.000 3.035 354 T HA 0.341 4.690 4.350 -0.001 0.000 0.268 354 T C 2.682 177.287 174.700 -0.158 0.000 1.109 354 T CA 1.874 63.649 62.100 -0.541 0.000 1.119 354 T CB -0.298 68.318 68.868 -0.420 0.000 0.900 354 T HN 2.785 nan 8.240 nan 0.000 0.503 355 G N 0.689 109.429 108.800 -0.101 0.000 2.148 355 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.254 355 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.254 355 G C 0.179 175.086 174.900 0.012 0.000 0.981 355 G CA 0.491 45.596 45.100 0.008 0.000 0.670 355 G HN 1.620 nan 8.290 nan 0.000 0.528 356 V N -3.580 116.327 119.914 -0.011 0.000 3.102 356 V HA 1.015 5.135 4.120 -0.001 0.000 0.312 356 V C -0.207 175.883 176.094 -0.006 0.000 1.135 356 V CA -0.176 62.124 62.300 0.000 0.000 1.022 356 V CB 2.215 34.045 31.823 0.013 0.000 1.056 356 V HN 0.714 nan 8.190 nan 0.000 0.436 357 T N 2.709 117.266 114.554 0.005 0.000 3.011 357 T HA 0.525 4.875 4.350 -0.001 0.000 0.303 357 T C -0.474 174.237 174.700 0.019 0.000 0.997 357 T CA -0.434 61.672 62.100 0.009 0.000 1.007 357 T CB 1.225 70.099 68.868 0.010 0.000 1.017 357 T HN 0.800 nan 8.240 nan 0.000 0.443 358 L N 2.794 124.031 121.223 0.023 0.000 2.540 358 L HA 0.085 4.424 4.340 -0.001 0.000 0.276 358 L C 0.672 177.568 176.870 0.044 0.000 1.212 358 L CA 0.000 54.859 54.840 0.032 0.000 0.893 358 L CB 0.292 42.368 42.059 0.028 0.000 1.138 358 L HN 0.674 nan 8.230 nan 0.000 0.491 359 D N 3.783 124.223 120.400 0.066 0.000 2.453 359 D HA 0.037 4.676 4.640 -0.001 0.000 0.223 359 D C 1.111 177.468 176.300 0.094 0.000 1.183 359 D CA -0.288 53.766 54.000 0.090 0.000 0.933 359 D CB 0.652 41.532 40.800 0.133 0.000 1.038 359 D HN 0.292 nan 8.370 nan 0.000 0.513 360 R N 2.443 122.979 120.500 0.061 0.000 2.096 360 R HA -0.097 4.242 4.340 -0.001 0.000 0.235 360 R C 1.630 177.953 176.300 0.038 0.000 1.127 360 R CA 0.867 56.991 56.100 0.040 0.000 0.968 360 R CB -0.135 30.186 30.300 0.035 0.000 0.861 360 R HN 0.609 nan 8.270 nan 0.000 0.440 361 E N -0.628 119.610 120.200 0.064 0.000 2.031 361 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 361 E C 1.760 178.415 176.600 0.091 0.000 0.994 361 E CA 1.018 57.458 56.400 0.067 0.000 0.800 361 E CB -0.250 29.496 29.700 0.077 0.000 0.752 361 E HN 0.151 nan 8.360 nan 0.000 0.447 362 F N 1.690 121.636 119.950 -0.006 0.000 2.102 362 F HA -0.193 4.334 4.527 -0.001 0.000 0.298 362 F C 2.176 177.966 175.800 -0.016 0.000 1.105 362 F CA 0.876 58.870 58.000 -0.010 0.000 1.239 362 F CB -0.444 38.546 39.000 -0.016 0.000 0.991 362 F HN -0.016 nan 8.300 nan 0.000 0.474 363 L N 1.059 122.179 121.223 -0.171 0.000 2.043 363 L HA -0.174 4.165 4.340 -0.001 0.000 0.212 363 L C 2.471 179.194 176.870 -0.246 0.000 1.075 363 L CA 2.225 56.913 54.840 -0.253 0.000 0.752 363 L CB -1.517 40.489 42.059 -0.088 0.000 0.891 363 L HN 0.199 nan 8.230 nan 0.000 0.432 364 A N -1.330 121.403 122.820 -0.145 0.000 1.940 364 A HA -0.267 4.052 4.320 -0.001 0.000 0.219 364 A C 2.362 179.866 177.584 -0.132 0.000 1.176 364 A CA 2.464 54.439 52.037 -0.104 0.000 0.631 364 A CB -1.404 17.567 19.000 -0.049 0.000 0.814 364 A HN 0.658 nan 8.150 nan 0.000 0.446 365 T N -2.096 112.347 114.554 -0.184 0.000 2.962 365 T HA -0.001 4.348 4.350 -0.001 0.000 0.270 365 T C 1.016 175.587 174.700 -0.215 0.000 1.088 365 T CA 1.489 63.488 62.100 -0.170 0.000 1.127 365 T CB -0.588 68.206 68.868 -0.124 0.000 0.883 365 T HN 0.890 nan 8.240 nan 0.000 0.493 366 V N -1.705 118.016 119.914 -0.322 0.000 3.006 366 V HA 0.438 4.557 4.120 -0.001 0.000 0.357 366 V C 0.165 176.166 176.094 -0.156 0.000 1.377 366 V CA -0.715 61.443 62.300 -0.236 0.000 1.198 366 V CB -0.469 31.154 31.823 -0.334 0.000 1.216 366 V HN 0.187 nan 8.190 nan 0.000 0.520 367 T N 1.419 115.895 114.554 -0.130 0.000 2.727 367 T HA 0.283 4.632 4.350 -0.001 0.000 0.298 367 T C 0.994 175.656 174.700 -0.062 0.000 0.942 367 T CA 0.179 62.225 62.100 -0.089 0.000 0.997 367 T CB 1.457 70.278 68.868 -0.079 0.000 0.917 367 T HN 0.552 nan 8.240 nan 0.000 0.487 368 E N 2.145 122.314 120.200 -0.051 0.000 2.072 368 E HA 0.129 4.479 4.350 -0.001 0.000 0.191 368 E C 0.658 177.239 176.600 -0.032 0.000 0.985 368 E CA 0.369 56.745 56.400 -0.040 0.000 0.801 368 E CB 0.271 29.951 29.700 -0.034 0.000 0.750 368 E HN 0.722 nan 8.360 nan 0.000 0.452 369 A N 0.579 123.383 122.820 -0.028 0.000 2.594 369 A HA 0.389 4.708 4.320 -0.001 0.000 0.296 369 A C -1.585 175.991 177.584 -0.013 0.000 1.061 369 A CA -0.884 51.142 52.037 -0.019 0.000 0.689 369 A CB 1.429 20.421 19.000 -0.012 0.000 1.280 369 A HN 0.090 nan 8.150 nan 0.000 0.406 370 Q N 0.836 120.630 119.800 -0.010 0.000 2.416 370 Q HA 0.766 5.105 4.340 -0.001 0.000 0.281 370 Q C -1.245 174.754 176.000 -0.001 0.000 1.067 370 Q CA -0.803 55.000 55.803 -0.000 0.000 0.809 370 Q CB 2.333 31.069 28.738 -0.004 0.000 1.418 370 Q HN 0.869 nan 8.270 nan 0.000 0.411 371 E N 0.675 120.882 120.200 0.012 0.000 2.390 371 E HA 0.499 4.848 4.350 -0.001 0.000 0.277 371 E C -1.482 175.102 176.600 -0.026 0.000 0.939 371 E CA -0.917 55.465 56.400 -0.029 0.000 0.769 371 E CB 2.685 32.379 29.700 -0.009 0.000 1.251 371 E HN 0.639 nan 8.360 nan 0.000 0.450 372 E N 1.245 121.363 120.200 -0.137 0.000 2.210 372 E HA 0.334 4.683 4.350 -0.001 0.000 0.266 372 E C -1.522 174.931 176.600 -0.244 0.000 0.883 372 E CA -0.653 55.702 56.400 -0.074 0.000 0.761 372 E CB 1.334 31.016 29.700 -0.030 0.000 1.156 372 E HN 0.527 nan 8.360 nan 0.000 0.412 373 H N 1.891 120.990 119.070 0.048 0.000 2.621 373 H HA 0.580 5.135 4.556 -0.001 0.000 0.360 373 H C -0.151 175.209 175.328 0.054 0.000 1.163 373 H CA -0.650 55.425 56.048 0.044 0.000 1.194 373 H CB 1.423 31.211 29.762 0.043 0.000 1.649 373 H HN 0.295 nan 8.280 nan 0.000 0.532 374 R N 0.643 121.238 120.500 0.159 0.000 2.885 374 R HA 0.734 5.073 4.340 -0.001 0.000 0.260 374 R C -0.457 175.903 176.300 0.101 0.000 1.107 374 R CA -1.210 54.955 56.100 0.109 0.000 0.978 374 R CB 1.508 31.845 30.300 0.062 0.000 1.227 374 R HN 0.662 nan 8.270 nan 0.000 0.473 375 A N 0.000 122.866 122.820 0.076 0.000 2.254 375 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 375 A CA 0.000 52.075 52.037 0.063 0.000 0.836 375 A CB 0.000 19.028 19.000 0.046 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486