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 2ggj_1_A 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 LTCIEQPLAW 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 0.000 176.471 176.300 0.285 0.000 0.893 6 R CA 0.000 56.210 56.100 0.183 0.000 0.921 6 R CB 0.000 30.374 30.300 0.124 0.000 0.687 7 M N 1.430 121.145 119.600 0.191 0.000 2.228 7 M HA 0.395 4.876 4.480 0.001 0.000 0.326 7 M C 0.062 176.522 176.300 0.266 0.000 1.122 7 M CA 0.055 55.458 55.300 0.171 0.000 1.161 7 M CB 0.073 32.664 32.600 -0.015 0.000 1.437 7 M HN 0.491 nan 8.290 nan 0.000 0.465 8 F N -0.451 119.580 119.950 0.134 0.000 2.480 8 F HA 0.704 5.232 4.527 0.001 0.000 0.329 8 F C -0.554 175.330 175.800 0.141 0.000 1.091 8 F CA -1.158 56.935 58.000 0.156 0.000 0.972 8 F CB 0.973 40.102 39.000 0.214 0.000 1.150 8 F HN 0.441 nan 8.300 nan 0.000 0.467 9 K N 4.444 124.964 120.400 0.200 0.000 2.213 9 K HA 0.541 4.862 4.320 0.001 0.000 0.270 9 K C -1.099 175.636 176.600 0.226 0.000 1.002 9 K CA -0.649 55.701 56.287 0.103 0.000 0.868 9 K CB 1.085 33.624 32.500 0.064 0.000 1.093 9 K HN 0.856 nan 8.250 nan 0.000 0.454 10 I N 4.884 125.599 120.570 0.241 0.000 2.291 10 I HA 0.058 4.229 4.170 0.001 0.000 0.292 10 I C 0.660 176.887 176.117 0.183 0.000 1.064 10 I CA -0.082 61.375 61.300 0.261 0.000 1.269 10 I CB 1.198 39.378 38.000 0.299 0.000 1.418 10 I HN 0.777 nan 8.210 nan 0.000 0.485 11 E N 4.335 124.640 120.200 0.175 0.000 2.102 11 E HA 0.213 4.564 4.350 0.001 0.000 0.190 11 E C 0.511 177.189 176.600 0.130 0.000 0.971 11 E CA 0.402 56.880 56.400 0.129 0.000 0.821 11 E CB 0.360 30.125 29.700 0.109 0.000 0.777 11 E HN 0.759 nan 8.360 nan 0.000 0.460 12 A N 0.052 122.980 122.820 0.180 0.000 2.593 12 A HA 0.845 5.166 4.320 0.001 0.000 0.290 12 A C -1.643 176.109 177.584 0.279 0.000 1.126 12 A CA -0.244 51.902 52.037 0.181 0.000 0.695 12 A CB 1.753 20.795 19.000 0.070 0.000 1.290 12 A HN 0.088 nan 8.150 nan 0.000 0.414 13 A N 0.309 123.291 122.820 0.270 0.000 2.547 13 A HA 0.724 5.045 4.320 0.001 0.000 0.297 13 A C -1.175 176.565 177.584 0.260 0.000 1.056 13 A CA -0.394 51.799 52.037 0.261 0.000 0.688 13 A CB 1.159 20.271 19.000 0.187 0.000 1.282 13 A HN 0.732 nan 8.150 nan 0.000 0.400 14 E N 1.231 121.568 120.200 0.227 0.000 2.212 14 E HA 0.590 4.941 4.350 0.001 0.000 0.268 14 E C -1.186 175.497 176.600 0.139 0.000 0.902 14 E CA -0.527 55.980 56.400 0.179 0.000 0.779 14 E CB 2.511 32.310 29.700 0.165 0.000 1.172 14 E HN 0.565 nan 8.360 nan 0.000 0.409 15 I N 2.786 123.437 120.570 0.135 0.000 2.339 15 I HA 0.293 4.463 4.170 0.001 0.000 0.290 15 I C -0.819 175.332 176.117 0.057 0.000 0.994 15 I CA -0.901 60.454 61.300 0.091 0.000 1.191 15 I CB 1.392 39.455 38.000 0.105 0.000 1.343 15 I HN 0.181 nan 8.210 nan 0.000 0.458 16 V N 7.366 127.299 119.914 0.033 0.000 2.487 16 V HA 0.381 4.502 4.120 0.001 0.000 0.298 16 V C -0.158 175.932 176.094 -0.007 0.000 1.028 16 V CA -0.675 61.630 62.300 0.009 0.000 0.860 16 V CB 2.211 34.034 31.823 -0.001 0.000 0.991 16 V HN 0.386 nan 8.190 nan 0.000 0.427 17 V N 3.965 123.870 119.914 -0.014 0.000 2.357 17 V HA 0.850 4.970 4.120 0.001 0.000 0.284 17 V C 0.338 176.410 176.094 -0.038 0.000 1.018 17 V CA -0.457 61.831 62.300 -0.020 0.000 0.841 17 V CB 1.309 33.125 31.823 -0.011 0.000 0.991 17 V HN 0.968 nan 8.190 nan 0.000 0.437 18 A N 4.744 127.534 122.820 -0.050 0.000 2.355 18 A HA 0.864 5.185 4.320 0.001 0.000 0.324 18 A C -0.217 177.340 177.584 -0.044 0.000 1.117 18 A CA -0.906 51.086 52.037 -0.074 0.000 0.785 18 A CB 1.372 20.298 19.000 -0.123 0.000 1.254 18 A HN 0.787 nan 8.150 nan 0.000 0.453 19 R N 2.249 122.734 120.500 -0.025 0.000 2.287 19 R HA 0.476 4.816 4.340 0.001 0.000 0.316 19 R C -1.553 174.843 176.300 0.161 0.000 1.050 19 R CA -0.293 55.846 56.100 0.065 0.000 0.983 19 R CB 0.413 30.725 30.300 0.020 0.000 1.140 19 R HN 0.751 nan 8.270 nan 0.000 0.528 20 L N 6.318 127.611 121.223 0.117 0.000 2.276 20 L HA 0.468 4.809 4.340 0.001 0.000 0.286 20 L C -2.136 174.844 176.870 0.183 0.000 1.061 20 L CA -2.222 52.654 54.840 0.060 0.000 0.807 20 L CB 1.596 43.485 42.059 -0.283 0.000 1.177 20 L HN 0.443 nan 8.230 nan 0.000 0.429 21 P HA 0.089 nan 4.420 nan 0.000 0.271 21 P C -0.131 177.241 177.300 0.121 0.000 1.226 21 P CA 0.068 63.019 63.100 -0.249 0.000 0.765 21 P CB 0.571 32.216 31.700 -0.092 0.000 0.835 22 L N 2.911 124.143 121.223 0.016 0.000 2.553 22 L HA 0.329 4.670 4.340 0.001 0.000 0.185 22 L C 1.121 177.994 176.870 0.005 0.000 1.137 22 L CA 0.170 55.037 54.840 0.045 0.000 0.919 22 L CB 0.031 42.075 42.059 -0.026 0.000 1.560 22 L HN 0.394 nan 8.230 nan 0.000 0.515 35 H N 0.531 119.660 119.070 0.098 0.000 2.928 35 H HA 0.568 5.124 4.556 0.001 0.000 0.371 35 H C -1.188 174.232 175.328 0.153 0.000 1.186 35 H CA -0.800 55.331 56.048 0.139 0.000 1.134 35 H CB 2.246 32.065 29.762 0.096 0.000 1.824 35 H HN 0.051 nan 8.280 nan 0.000 0.554 36 K N 1.906 122.504 120.400 0.330 0.000 2.292 36 K HA 0.293 4.614 4.320 0.001 0.000 0.257 36 K C -0.875 175.835 176.600 0.183 0.000 0.940 36 K CA -0.730 55.718 56.287 0.267 0.000 0.811 36 K CB 1.982 34.731 32.500 0.416 0.000 1.120 36 K HN 0.261 nan 8.250 nan 0.000 0.428 37 V N 4.435 124.419 119.914 0.116 0.000 2.439 37 V HA 0.096 4.217 4.120 0.001 0.000 0.271 37 V C -0.080 176.037 176.094 0.039 0.000 1.040 37 V CA -0.470 61.866 62.300 0.061 0.000 1.002 37 V CB 1.138 32.985 31.823 0.040 0.000 1.000 37 V HN 0.397 nan 8.190 nan 0.000 0.477 38 V N 8.947 128.861 119.914 0.000 0.000 2.311 38 V HA 0.340 4.461 4.120 0.001 0.000 0.275 38 V C -2.296 173.782 176.094 -0.026 0.000 1.022 38 V CA -1.768 60.517 62.300 -0.026 0.000 0.830 38 V CB 1.603 33.370 31.823 -0.093 0.000 1.012 38 V HN 0.757 nan 8.190 nan 0.000 0.452 39 P HA 0.474 nan 4.420 nan 0.000 0.293 39 P C -0.932 176.362 177.300 -0.009 0.000 1.313 39 P CA -0.241 62.854 63.100 -0.008 0.000 0.787 39 P CB 0.986 32.686 31.700 -0.000 0.000 0.910 40 L N 3.675 124.895 121.223 -0.006 0.000 2.346 40 L HA 0.564 4.905 4.340 0.001 0.000 0.276 40 L C -0.266 176.614 176.870 0.016 0.000 1.006 40 L CA -1.179 53.661 54.840 -0.000 0.000 0.817 40 L CB 2.063 44.118 42.059 -0.005 0.000 1.272 40 L HN 0.223 nan 8.230 nan 0.000 0.421 41 L N 4.529 125.763 121.223 0.017 0.000 2.313 41 L HA 0.614 4.955 4.340 0.001 0.000 0.283 41 L C -0.855 176.027 176.870 0.020 0.000 1.013 41 L CA 0.055 54.913 54.840 0.030 0.000 0.816 41 L CB 1.340 43.416 42.059 0.029 0.000 1.236 41 L HN 0.378 nan 8.230 nan 0.000 0.419 42 I N 6.433 127.014 120.570 0.019 0.000 2.382 42 I HA 0.357 4.528 4.170 0.001 0.000 0.286 42 I C -0.811 175.256 176.117 -0.084 0.000 1.002 42 I CA -0.535 60.732 61.300 -0.055 0.000 1.135 42 I CB 1.492 39.454 38.000 -0.064 0.000 1.288 42 I HN 0.469 nan 8.210 nan 0.000 0.448 43 L N 5.925 127.076 121.223 -0.119 0.000 2.309 43 L HA 0.515 4.856 4.340 0.001 0.000 0.282 43 L C -0.324 176.439 176.870 -0.178 0.000 1.036 43 L CA -0.646 54.167 54.840 -0.045 0.000 0.806 43 L CB 1.148 43.228 42.059 0.034 0.000 1.220 43 L HN 0.515 nan 8.230 nan 0.000 0.429 44 H N 1.829 120.955 119.070 0.094 0.000 2.495 44 H HA 0.747 5.304 4.556 0.001 0.000 0.348 44 H C -0.152 175.244 175.328 0.113 0.000 1.113 44 H CA -0.525 55.576 56.048 0.087 0.000 1.195 44 H CB 2.339 32.145 29.762 0.073 0.000 1.521 44 H HN 0.780 nan 8.280 nan 0.000 0.509 45 G N 0.963 109.894 108.800 0.219 0.000 2.411 45 G HA2 0.159 4.120 3.960 0.001 0.000 0.295 45 G HA3 0.159 4.120 3.960 0.001 0.000 0.295 45 G C -0.812 174.188 174.900 0.165 0.000 1.542 45 G CA -0.853 44.368 45.100 0.202 0.000 0.814 45 G HN 0.432 nan 8.290 nan 0.000 0.557 46 E N -1.073 119.217 120.200 0.151 0.000 2.660 46 E HA -0.272 4.079 4.350 0.001 0.000 0.260 46 E C 1.534 178.187 176.600 0.088 0.000 1.122 46 E CA 2.174 58.646 56.400 0.120 0.000 0.755 46 E CB -1.626 28.160 29.700 0.143 0.000 1.345 46 E HN 2.612 nan 8.360 nan 0.000 0.421 47 G N -1.728 107.126 108.800 0.091 0.000 2.168 47 G HA2 -0.351 3.610 3.960 0.001 0.000 0.263 47 G HA3 -0.351 3.610 3.960 0.001 0.000 0.263 47 G C 0.529 175.472 174.900 0.072 0.000 0.977 47 G CA 1.376 46.521 45.100 0.076 0.000 0.659 47 G HN 1.069 nan 8.290 nan 0.000 0.533 48 V N -3.330 116.628 119.914 0.073 0.000 3.182 48 V HA 1.000 5.120 4.120 0.001 0.000 0.311 48 V C -0.403 175.717 176.094 0.043 0.000 1.221 48 V CA -0.119 62.208 62.300 0.045 0.000 1.060 48 V CB 1.858 33.683 31.823 0.004 0.000 1.164 48 V HN 1.207 nan 8.190 nan 0.000 0.466 49 Q N 0.319 120.107 119.800 -0.020 0.000 2.353 49 Q HA 0.744 5.085 4.340 0.001 0.000 0.275 49 Q C -0.793 175.149 176.000 -0.096 0.000 1.029 49 Q CA -0.497 55.236 55.803 -0.117 0.000 0.848 49 Q CB 1.984 30.585 28.738 -0.229 0.000 1.390 49 Q HN 1.346 nan 8.270 nan 0.000 0.401 50 G N 1.050 109.792 108.800 -0.096 0.000 2.448 50 G HA2 0.651 4.612 3.960 0.001 0.000 0.324 50 G HA3 0.651 4.612 3.960 0.001 0.000 0.324 50 G C -1.147 173.743 174.900 -0.017 0.000 1.203 50 G CA -0.678 44.404 45.100 -0.031 0.000 0.954 50 G HN 0.442 nan 8.290 nan 0.000 0.480 51 V N 0.077 120.024 119.914 0.055 0.000 2.876 51 V HA 0.933 5.054 4.120 0.001 0.000 0.312 51 V C 0.128 176.332 176.094 0.183 0.000 1.085 51 V CA -0.425 61.919 62.300 0.073 0.000 0.945 51 V CB 1.526 33.381 31.823 0.054 0.000 1.017 51 V HN 1.392 nan 8.190 nan 0.000 0.428 52 A N 2.477 125.347 122.820 0.083 0.000 2.610 52 A HA 0.841 5.162 4.320 0.001 0.000 0.291 52 A C -1.311 176.250 177.584 -0.038 0.000 1.086 52 A CA -0.579 51.446 52.037 -0.020 0.000 0.677 52 A CB 1.960 20.892 19.000 -0.114 0.000 1.278 52 A HN 0.836 nan 8.150 nan 0.000 0.414 53 E N 0.742 120.891 120.200 -0.085 0.000 2.191 53 E HA 0.529 4.879 4.350 0.001 0.000 0.263 53 E C 0.220 176.791 176.600 -0.049 0.000 0.881 53 E CA -0.573 55.801 56.400 -0.044 0.000 0.757 53 E CB 1.542 31.229 29.700 -0.022 0.000 1.147 53 E HN 1.086 nan 8.360 nan 0.000 0.414 54 G N 1.852 110.637 108.800 -0.025 0.000 2.398 54 G HA2 0.084 4.045 3.960 0.001 0.000 0.246 54 G HA3 0.084 4.045 3.960 0.001 0.000 0.246 54 G C 0.735 175.627 174.900 -0.013 0.000 1.289 54 G CA 0.170 45.261 45.100 -0.015 0.000 0.869 54 G HN 0.610 nan 8.290 nan 0.000 0.543 55 T N 0.593 115.140 114.554 -0.012 0.000 3.105 55 T HA 0.198 4.549 4.350 0.001 0.000 0.253 55 T C 1.126 175.831 174.700 0.007 0.000 1.047 55 T CA -0.409 61.684 62.100 -0.013 0.000 0.944 55 T CB -0.130 68.716 68.868 -0.037 0.000 1.016 55 T HN 0.507 nan 8.240 nan 0.000 0.544 56 M N 1.207 120.818 119.600 0.019 0.000 2.241 56 M HA 0.560 5.041 4.480 0.001 0.000 0.335 56 M C -0.657 175.655 176.300 0.020 0.000 1.122 56 M CA -0.193 55.124 55.300 0.028 0.000 1.164 56 M CB 0.168 32.782 32.600 0.023 0.000 1.459 56 M HN 0.049 nan 8.290 nan 0.000 0.461 57 E N 1.147 121.360 120.200 0.022 0.000 2.232 57 E HA 0.638 4.989 4.350 0.001 0.000 0.264 57 E C 0.921 177.527 176.600 0.010 0.000 0.973 57 E CA -0.445 55.967 56.400 0.019 0.000 0.849 57 E CB 1.347 31.061 29.700 0.023 0.000 1.198 57 E HN 0.765 nan 8.360 nan 0.000 0.407 58 A N 1.954 124.781 122.820 0.011 0.000 1.927 58 A HA -0.193 4.128 4.320 0.001 0.000 0.220 58 A C 0.846 178.428 177.584 -0.003 0.000 1.185 58 A CA 1.541 53.580 52.037 0.004 0.000 0.639 58 A CB -0.220 18.784 19.000 0.007 0.000 0.820 58 A HN 0.464 nan 8.150 nan 0.000 0.451 59 R N -1.028 119.470 120.500 -0.004 0.000 2.787 59 R HA 0.422 4.763 4.340 0.001 0.000 0.271 59 R C -2.850 173.436 176.300 -0.024 0.000 0.993 59 R CA -2.165 53.927 56.100 -0.014 0.000 0.993 59 R CB 1.071 31.364 30.300 -0.012 0.000 1.155 59 R HN 0.055 nan 8.270 nan 0.000 0.486 60 P HA 0.166 nan 4.420 nan 0.000 0.241 60 P C -0.487 176.743 177.300 -0.118 0.000 1.780 60 P CA 0.106 63.156 63.100 -0.083 0.000 1.111 60 P CB 0.522 32.164 31.700 -0.096 0.000 1.852 61 M N 0.979 120.531 119.600 -0.080 0.000 2.738 61 M HA 0.042 4.523 4.480 0.001 0.000 0.256 61 M C 1.868 178.109 176.300 -0.098 0.000 1.253 61 M CA 0.900 56.154 55.300 -0.076 0.000 1.223 61 M CB -0.385 32.206 32.600 -0.014 0.000 1.263 61 M HN 0.074 nan 8.290 nan 0.000 0.521 62 Y N 0.888 121.099 120.300 -0.148 0.000 2.220 62 Y HA 0.121 4.672 4.550 0.002 0.000 0.291 62 Y C 1.411 177.152 175.900 -0.264 0.000 1.129 62 Y CA 1.249 59.259 58.100 -0.150 0.000 1.161 62 Y CB 0.352 38.764 38.460 -0.080 0.000 0.997 62 Y HN -0.013 nan 8.280 nan 0.000 0.522 63 R N -1.020 119.246 120.500 -0.391 0.000 3.278 63 R HA 0.109 4.450 4.340 0.001 0.000 0.256 63 R C 1.178 177.225 176.300 -0.423 0.000 1.230 63 R CA 0.172 55.892 56.100 -0.634 0.000 1.006 63 R CB 0.496 30.517 30.300 -0.464 0.000 1.440 63 R HN 0.111 nan 8.270 nan 0.000 0.449 64 E N 0.849 120.859 120.200 -0.317 0.000 2.276 64 E HA 0.033 4.384 4.350 0.001 0.000 0.193 64 E C -0.575 175.982 176.600 -0.072 0.000 0.983 64 E CA 0.766 57.058 56.400 -0.180 0.000 0.861 64 E CB 0.252 29.920 29.700 -0.053 0.000 0.817 64 E HN 0.451 nan 8.360 nan 0.000 0.485 65 E N 1.346 121.524 120.200 -0.037 0.000 2.392 65 E HA 0.237 4.587 4.350 0.001 0.000 0.259 65 E C -0.111 176.482 176.600 -0.013 0.000 1.108 65 E CA 0.260 56.656 56.400 -0.007 0.000 0.916 65 E CB 0.960 30.672 29.700 0.019 0.000 0.989 65 E HN 0.290 nan 8.360 nan 0.000 0.432 66 T N -1.999 112.549 114.554 -0.010 0.000 2.906 66 T HA 0.374 4.725 4.350 0.001 0.000 0.295 66 T C 0.999 175.694 174.700 -0.009 0.000 1.075 66 T CA -0.779 61.315 62.100 -0.010 0.000 1.005 66 T CB 0.759 69.618 68.868 -0.015 0.000 1.136 66 T HN 0.389 nan 8.240 nan 0.000 0.498 67 I N 1.345 121.912 120.570 -0.005 0.000 2.127 67 I HA -0.154 4.017 4.170 0.001 0.000 0.241 67 I C 3.053 179.161 176.117 -0.015 0.000 1.075 67 I CA 1.952 63.248 61.300 -0.006 0.000 1.334 67 I CB -0.740 37.259 38.000 -0.001 0.000 1.040 67 I HN 0.909 nan 8.210 nan 0.000 0.405 68 A N 0.868 123.677 122.820 -0.017 0.000 1.883 68 A HA -0.180 4.140 4.320 0.001 0.000 0.217 68 A C 2.429 179.992 177.584 -0.036 0.000 1.186 68 A CA 2.150 54.173 52.037 -0.023 0.000 0.624 68 A CB -1.538 17.450 19.000 -0.020 0.000 0.822 68 A HN 0.495 nan 8.150 nan 0.000 0.444 69 G N -0.732 108.046 108.800 -0.036 0.000 2.433 69 G HA2 0.011 3.972 3.960 0.001 0.000 0.216 69 G HA3 0.011 3.972 3.960 0.001 0.000 0.216 69 G C 1.785 176.642 174.900 -0.072 0.000 1.186 69 G CA 1.573 46.642 45.100 -0.051 0.000 0.779 69 G HN 0.833 nan 8.290 nan 0.000 0.543 70 A N 0.523 123.314 122.820 -0.048 0.000 1.898 70 A HA 0.127 4.448 4.320 0.001 0.000 0.216 70 A C 2.456 179.999 177.584 -0.068 0.000 1.181 70 A CA 1.248 53.257 52.037 -0.047 0.000 0.620 70 A CB -0.415 18.583 19.000 -0.004 0.000 0.819 70 A HN 0.340 nan 8.150 nan 0.000 0.442 71 L N -0.588 120.605 121.223 -0.049 0.000 2.046 71 L HA -0.205 4.136 4.340 0.001 0.000 0.208 71 L C 2.412 179.232 176.870 -0.084 0.000 1.077 71 L CA 1.963 56.775 54.840 -0.048 0.000 0.747 71 L CB -0.758 41.288 42.059 -0.021 0.000 0.896 71 L HN 0.519 nan 8.230 nan 0.000 0.432 72 D N 0.322 120.666 120.400 -0.093 0.000 2.117 72 D HA -0.232 4.409 4.640 0.001 0.000 0.197 72 D C 2.128 178.306 176.300 -0.203 0.000 0.987 72 D CA 0.879 54.808 54.000 -0.117 0.000 0.829 72 D CB 0.085 40.827 40.800 -0.096 0.000 0.961 72 D HN 0.072 nan 8.370 nan 0.000 0.460 73 L N 0.213 121.274 121.223 -0.269 0.000 2.046 73 L HA -0.066 4.275 4.340 0.001 0.000 0.208 73 L C 2.106 178.638 176.870 -0.562 0.000 1.077 73 L CA 1.456 55.996 54.840 -0.501 0.000 0.747 73 L CB -0.555 41.162 42.059 -0.570 0.000 0.896 73 L HN 0.242 nan 8.230 nan 0.000 0.432 74 L N -0.552 120.489 121.223 -0.304 0.000 1.988 74 L HA -0.211 4.130 4.340 0.001 0.000 0.207 74 L C 2.813 179.569 176.870 -0.191 0.000 1.071 74 L CA 1.933 56.685 54.840 -0.147 0.000 0.744 74 L CB -0.549 41.485 42.059 -0.043 0.000 0.893 74 L HN 0.387 nan 8.230 nan 0.000 0.433 75 R N -0.198 120.168 120.500 -0.222 0.000 2.153 75 R HA -0.017 4.324 4.340 0.001 0.000 0.218 75 R C 1.939 178.104 176.300 -0.225 0.000 1.072 75 R CA 1.252 57.154 56.100 -0.329 0.000 0.990 75 R CB -0.583 29.592 30.300 -0.208 0.000 0.889 75 R HN 0.245 nan 8.270 nan 0.000 0.452 76 G N -0.773 107.913 108.800 -0.190 0.000 2.744 76 G HA2 0.012 3.973 3.960 0.001 0.000 0.211 76 G HA3 0.012 3.973 3.960 0.001 0.000 0.211 76 G C 0.774 175.566 174.900 -0.180 0.000 1.146 76 G CA 0.634 45.641 45.100 -0.154 0.000 0.787 76 G HN 0.354 nan 8.290 nan 0.000 0.534 77 T N -0.596 113.798 114.554 -0.267 0.000 3.250 77 T HA 0.195 4.545 4.350 0.001 0.000 0.265 77 T C 1.594 176.263 174.700 -0.052 0.000 0.973 77 T CA -0.197 61.735 62.100 -0.281 0.000 1.040 77 T CB 0.038 68.520 68.868 -0.644 0.000 1.167 77 T HN 0.017 nan 8.240 nan 0.000 0.471 78 F N 2.017 121.887 119.950 -0.133 0.000 2.149 78 F HA 0.345 4.873 4.527 0.001 0.000 0.294 78 F C 2.101 177.871 175.800 -0.050 0.000 1.095 78 F CA 0.036 57.990 58.000 -0.075 0.000 1.276 78 F CB -1.137 37.819 39.000 -0.074 0.000 1.023 78 F HN 0.059 nan 8.300 nan 0.000 0.480 79 L N -0.007 121.277 121.223 0.101 0.000 2.017 79 L HA -0.150 4.191 4.340 0.001 0.000 0.208 79 L C -0.339 176.563 176.870 0.054 0.000 1.073 79 L CA 1.407 56.268 54.840 0.035 0.000 0.745 79 L CB -2.195 39.807 42.059 -0.094 0.000 0.894 79 L HN 0.041 nan 8.230 nan 0.000 0.432 80 P HA -0.155 nan 4.420 nan 0.000 0.221 80 P C 1.303 178.656 177.300 0.088 0.000 1.145 80 P CA 1.544 64.677 63.100 0.054 0.000 0.795 80 P CB -0.006 31.712 31.700 0.030 0.000 0.775 81 A N -0.479 122.414 122.820 0.121 0.000 2.014 81 A HA -0.083 4.238 4.320 0.001 0.000 0.218 81 A C 1.982 179.670 177.584 0.172 0.000 1.163 81 A CA 1.427 53.553 52.037 0.150 0.000 0.652 81 A CB -1.171 17.949 19.000 0.201 0.000 0.808 81 A HN 0.371 nan 8.150 nan 0.000 0.449 82 I N -4.550 116.128 120.570 0.180 0.000 4.312 82 I HA 0.344 4.515 4.170 0.001 0.000 0.324 82 I C 0.103 176.370 176.117 0.250 0.000 1.298 82 I CA -0.330 61.143 61.300 0.288 0.000 1.231 82 I CB 0.017 38.102 38.000 0.143 0.000 1.152 82 I HN -0.082 nan 8.210 nan 0.000 0.421 83 L N 3.809 125.126 121.223 0.157 0.000 2.534 83 L HA 0.234 4.575 4.340 0.001 0.000 0.271 83 L C 1.366 178.293 176.870 0.095 0.000 1.178 83 L CA 1.303 56.222 54.840 0.132 0.000 0.907 83 L CB 0.361 42.486 42.059 0.111 0.000 1.164 83 L HN 0.665 nan 8.230 nan 0.000 0.482 84 G N 1.756 110.605 108.800 0.083 0.000 2.241 84 G HA2 -0.204 3.757 3.960 0.001 0.000 0.244 84 G HA3 -0.204 3.757 3.960 0.001 0.000 0.244 84 G C 0.318 175.188 174.900 -0.050 0.000 0.998 84 G CA -0.469 44.646 45.100 0.025 0.000 0.621 84 G HN 0.502 nan 8.290 nan 0.000 0.519 85 Q N 0.778 120.524 119.800 -0.090 0.000 2.260 85 Q HA 0.600 4.941 4.340 0.001 0.000 0.238 85 Q C -0.116 175.514 176.000 -0.616 0.000 0.948 85 Q CA 0.224 55.795 55.803 -0.386 0.000 0.895 85 Q CB 1.212 29.642 28.738 -0.514 0.000 1.218 85 Q HN 0.226 nan 8.270 nan 0.000 0.470 86 T N 2.041 116.125 114.554 -0.783 0.000 2.824 86 T HA 0.676 5.027 4.350 0.001 0.000 0.280 86 T C -0.780 173.315 174.700 -1.007 0.000 0.995 86 T CA -0.242 61.473 62.100 -0.641 0.000 1.009 86 T CB 0.266 68.938 68.868 -0.326 0.000 0.955 86 T HN 0.245 nan 8.240 nan 0.000 0.452 87 F N 0.077 119.643 119.950 -0.640 0.000 2.588 87 F HA 0.611 5.139 4.527 0.001 0.000 0.314 87 F C 0.988 176.372 175.800 -0.694 0.000 1.069 87 F CA -1.231 56.331 58.000 -0.730 0.000 0.931 87 F CB 1.487 39.886 39.000 -1.003 0.000 1.260 87 F HN 0.616 nan 8.300 nan 0.000 0.465 88 A N 1.388 124.052 122.820 -0.259 0.000 1.935 88 A HA 0.169 4.489 4.320 0.001 0.000 0.214 88 A C 0.293 177.606 177.584 -0.451 0.000 1.178 88 A CA 1.041 52.936 52.037 -0.238 0.000 0.640 88 A CB -0.508 18.396 19.000 -0.160 0.000 0.825 88 A HN 0.839 nan 8.150 nan 0.000 0.447 89 N N -3.286 115.145 118.700 -0.448 0.000 3.116 89 N HA 0.219 4.960 4.740 0.001 0.000 0.244 89 N C -3.015 172.178 175.510 -0.528 0.000 1.485 89 N CA -1.449 51.115 53.050 -0.808 0.000 0.884 89 N CB 0.822 38.830 38.487 -0.797 0.000 1.415 89 N HN -0.312 nan 8.380 nan 0.000 0.524 90 P HA -0.103 nan 4.420 nan 0.000 0.218 90 P C 0.622 177.640 177.300 -0.470 0.000 1.148 90 P CA 1.515 64.158 63.100 -0.762 0.000 0.822 90 P CB 0.155 30.828 31.700 -1.711 0.000 0.784 91 E N -0.270 119.704 120.200 -0.377 0.000 2.110 91 E HA -0.120 4.231 4.350 0.001 0.000 0.193 91 E C 2.126 178.630 176.600 -0.159 0.000 0.988 91 E CA 1.425 57.727 56.400 -0.165 0.000 0.804 91 E CB -1.075 28.583 29.700 -0.070 0.000 0.745 91 E HN 0.160 nan 8.360 nan 0.000 0.458 92 A N 0.493 123.201 122.820 -0.187 0.000 2.015 92 A HA -0.126 4.195 4.320 0.001 0.000 0.219 92 A C 2.373 179.860 177.584 -0.161 0.000 1.163 92 A CA 1.121 53.099 52.037 -0.098 0.000 0.646 92 A CB -0.500 18.485 19.000 -0.024 0.000 0.806 92 A HN 0.146 nan 8.150 nan 0.000 0.448 93 V N -0.450 119.199 119.914 -0.441 0.000 2.270 93 V HA -0.214 3.907 4.120 0.001 0.000 0.245 93 V C 2.731 178.616 176.094 -0.349 0.000 1.043 93 V CA 2.207 64.096 62.300 -0.686 0.000 1.014 93 V CB -1.094 30.290 31.823 -0.731 0.000 0.645 93 V HN 0.538 nan 8.190 nan 0.000 0.447 94 S N 0.191 115.741 115.700 -0.250 0.000 2.369 94 S HA -0.335 4.136 4.470 0.001 0.000 0.225 94 S C 1.995 176.518 174.600 -0.129 0.000 1.043 94 S CA 2.054 60.149 58.200 -0.174 0.000 1.074 94 S CB -0.706 62.436 63.200 -0.097 0.000 0.962 94 S HN 0.838 nan 8.310 nan 0.000 0.433 95 D N 1.467 121.814 120.400 -0.089 0.000 2.190 95 D HA -0.144 4.497 4.640 0.001 0.000 0.200 95 D C 1.733 178.020 176.300 -0.021 0.000 0.992 95 D CA 1.304 55.278 54.000 -0.044 0.000 0.854 95 D CB -0.179 40.604 40.800 -0.028 0.000 0.936 95 D HN 0.400 nan 8.370 nan 0.000 0.462 96 A N -0.060 122.755 122.820 -0.009 0.000 2.209 96 A HA 0.083 4.404 4.320 0.001 0.000 0.212 96 A C 2.226 179.840 177.584 0.050 0.000 1.158 96 A CA 0.274 52.346 52.037 0.058 0.000 0.742 96 A CB -0.152 18.961 19.000 0.189 0.000 0.790 96 A HN 0.309 nan 8.150 nan 0.000 0.472 97 L N -2.278 118.934 121.223 -0.019 0.000 2.292 97 L HA 0.362 4.703 4.340 0.001 0.000 0.196 97 L C 2.363 179.292 176.870 0.099 0.000 1.246 97 L CA 0.745 55.608 54.840 0.039 0.000 0.864 97 L CB -1.058 40.819 42.059 -0.303 0.000 1.044 97 L HN 0.434 nan 8.230 nan 0.000 0.504 98 G N -0.463 108.357 108.800 0.033 0.000 2.708 98 G HA2 -0.368 3.592 3.960 0.001 0.000 0.229 98 G HA3 -0.368 3.592 3.960 0.001 0.000 0.229 98 G C 1.259 176.139 174.900 -0.035 0.000 1.236 98 G CA 0.776 45.873 45.100 -0.006 0.000 0.749 98 G HN 0.336 nan 8.290 nan 0.000 0.515 99 S N 0.235 115.848 115.700 -0.145 0.000 2.406 99 S HA 0.224 4.695 4.470 0.001 0.000 0.228 99 S C 1.075 175.505 174.600 -0.284 0.000 1.020 99 S CA 0.823 58.847 58.200 -0.293 0.000 0.965 99 S CB -0.128 62.771 63.200 -0.503 0.000 0.798 99 S HN 0.579 nan 8.310 nan 0.000 0.488 100 Y N 1.922 122.289 120.300 0.112 0.000 2.357 100 Y HA 0.333 4.884 4.550 0.001 0.000 0.340 100 Y C 1.147 177.110 175.900 0.105 0.000 1.260 100 Y CA -0.444 57.732 58.100 0.127 0.000 1.425 100 Y CB 0.480 39.069 38.460 0.215 0.000 1.326 100 Y HN -0.110 nan 8.280 nan 0.000 0.580 101 R N 0.847 121.490 120.500 0.238 0.000 2.604 101 R HA 0.487 4.827 4.340 0.001 0.000 0.287 101 R C 0.537 176.925 176.300 0.146 0.000 0.970 101 R CA -0.102 56.084 56.100 0.144 0.000 0.946 101 R CB 1.426 31.785 30.300 0.099 0.000 1.127 101 R HN 0.962 nan 8.270 nan 0.000 0.473 102 G N 2.086 110.955 108.800 0.115 0.000 2.574 102 G HA2 -0.431 3.530 3.960 0.001 0.000 0.282 102 G HA3 -0.431 3.530 3.960 0.001 0.000 0.282 102 G C -0.286 174.694 174.900 0.133 0.000 1.257 102 G CA 0.444 45.610 45.100 0.110 0.000 0.956 102 G HN 0.903 nan 8.290 nan 0.000 0.560 103 N N -1.197 117.572 118.700 0.116 0.000 2.738 103 N HA -0.185 4.556 4.740 0.001 0.000 0.249 103 N C 1.220 176.816 175.510 0.143 0.000 1.047 103 N CA 1.186 54.312 53.050 0.126 0.000 0.707 103 N CB -0.422 38.154 38.487 0.147 0.000 0.937 103 N HN 0.702 nan 8.380 nan 0.000 0.545 104 R N -0.073 120.490 120.500 0.105 0.000 2.090 104 R HA 0.094 4.435 4.340 0.001 0.000 0.228 104 R C 1.909 178.249 176.300 0.067 0.000 1.110 104 R CA 1.461 57.611 56.100 0.083 0.000 0.973 104 R CB -0.049 30.293 30.300 0.069 0.000 0.869 104 R HN 0.444 nan 8.270 nan 0.000 0.440 105 M N -0.108 119.533 119.600 0.068 0.000 2.117 105 M HA -0.133 4.347 4.480 0.001 0.000 0.262 105 M C 2.498 178.833 176.300 0.057 0.000 1.065 105 M CA 1.787 57.116 55.300 0.049 0.000 1.114 105 M CB -0.357 32.274 32.600 0.051 0.000 1.361 105 M HN 0.221 nan 8.290 nan 0.000 0.408 106 A N 1.274 124.154 122.820 0.101 0.000 1.858 106 A HA -0.172 4.149 4.320 0.001 0.000 0.216 106 A C 2.190 179.895 177.584 0.202 0.000 1.190 106 A CA 1.619 53.751 52.037 0.157 0.000 0.617 106 A CB -0.687 18.428 19.000 0.192 0.000 0.827 106 A HN 0.493 nan 8.150 nan 0.000 0.443 107 R N -0.129 120.481 120.500 0.183 0.000 2.127 107 R HA -0.075 4.266 4.340 0.001 0.000 0.238 107 R C 2.277 178.543 176.300 -0.057 0.000 1.134 107 R CA 1.278 57.342 56.100 -0.061 0.000 0.975 107 R CB -0.769 29.442 30.300 -0.148 0.000 0.865 107 R HN 0.468 nan 8.270 nan 0.000 0.447 108 A N 1.803 124.615 122.820 -0.013 0.000 1.972 108 A HA -0.110 4.211 4.320 0.001 0.000 0.219 108 A C 2.284 179.838 177.584 -0.050 0.000 1.169 108 A CA 1.217 53.231 52.037 -0.039 0.000 0.635 108 A CB -0.427 18.540 19.000 -0.055 0.000 0.810 108 A HN 0.198 nan 8.150 nan 0.000 0.446 109 M N -0.661 118.925 119.600 -0.025 0.000 2.108 109 M HA -0.157 4.324 4.480 0.001 0.000 0.261 109 M C 2.079 178.371 176.300 -0.013 0.000 1.066 109 M CA 1.630 56.915 55.300 -0.025 0.000 1.107 109 M CB -0.510 32.097 32.600 0.011 0.000 1.356 109 M HN 0.287 nan 8.290 nan 0.000 0.406 110 V N -0.237 119.668 119.914 -0.015 0.000 2.283 110 V HA -0.208 3.913 4.120 0.001 0.000 0.243 110 V C 2.379 178.446 176.094 -0.045 0.000 1.039 110 V CA 1.787 64.063 62.300 -0.040 0.000 1.016 110 V CB -0.876 30.884 31.823 -0.105 0.000 0.650 110 V HN 0.467 nan 8.190 nan 0.000 0.449 111 E N 0.127 120.298 120.200 -0.049 0.000 2.085 111 E HA -0.246 4.104 4.350 0.001 0.000 0.194 111 E C 2.159 178.877 176.600 0.196 0.000 0.994 111 E CA 1.898 58.312 56.400 0.022 0.000 0.801 111 E CB -0.132 29.597 29.700 0.048 0.000 0.743 111 E HN 0.582 nan 8.360 nan 0.000 0.453 112 M N -0.450 119.243 119.600 0.154 0.000 2.236 112 M HA -0.039 4.442 4.480 0.001 0.000 0.266 112 M C 2.357 178.850 176.300 0.322 0.000 1.070 112 M CA 1.201 56.658 55.300 0.263 0.000 1.137 112 M CB -0.044 32.473 32.600 -0.138 0.000 1.378 112 M HN 0.079 nan 8.290 nan 0.000 0.426 113 A N 0.458 123.368 122.820 0.150 0.000 1.969 113 A HA 0.027 4.348 4.320 0.001 0.000 0.218 113 A C 2.360 180.008 177.584 0.107 0.000 1.169 113 A CA 1.672 53.791 52.037 0.136 0.000 0.635 113 A CB -0.795 18.239 19.000 0.057 0.000 0.810 113 A HN 0.459 nan 8.150 nan 0.000 0.445 114 A N -1.304 121.555 122.820 0.064 0.000 1.902 114 A HA -0.166 4.155 4.320 0.001 0.000 0.217 114 A C 1.964 179.514 177.584 -0.057 0.000 1.181 114 A CA 1.318 53.334 52.037 -0.034 0.000 0.623 114 A CB -0.902 18.031 19.000 -0.112 0.000 0.818 114 A HN 0.741 nan 8.150 nan 0.000 0.443 115 W N -0.097 121.254 121.300 0.086 0.000 2.363 115 W HA -0.148 4.512 4.660 0.001 0.000 0.296 115 W C 2.035 178.582 176.519 0.046 0.000 1.212 115 W CA 1.345 58.764 57.345 0.123 0.000 1.260 115 W CB -0.059 29.510 29.460 0.182 0.000 1.131 115 W HN 0.474 nan 8.180 nan 0.000 0.530 116 D N -0.312 120.246 120.400 0.264 0.000 2.123 116 D HA -0.156 4.485 4.640 0.001 0.000 0.200 116 D C 2.022 178.319 176.300 -0.005 0.000 0.976 116 D CA 1.048 55.100 54.000 0.087 0.000 0.831 116 D CB -0.405 40.453 40.800 0.096 0.000 0.974 116 D HN -0.038 nan 8.370 nan 0.000 0.469 117 L N 0.835 122.043 121.223 -0.025 0.000 1.955 117 L HA -0.098 4.243 4.340 0.001 0.000 0.213 117 L C 2.210 178.971 176.870 -0.181 0.000 1.072 117 L CA 2.053 56.828 54.840 -0.109 0.000 0.755 117 L CB -1.263 40.718 42.059 -0.130 0.000 0.888 117 L HN 0.397 nan 8.230 nan 0.000 0.432 118 W N 0.485 121.433 121.300 -0.585 0.000 2.284 118 W HA -0.431 4.231 4.660 0.002 0.000 0.337 118 W C 2.223 178.579 176.519 -0.273 0.000 1.322 118 W CA 2.385 59.345 57.345 -0.642 0.000 1.245 118 W CB -0.525 28.537 29.460 -0.662 0.000 1.141 118 W HN 0.399 nan 8.180 nan 0.000 0.465 119 A N 0.913 123.566 122.820 -0.278 0.000 1.958 119 A HA -0.276 4.045 4.320 0.001 0.000 0.221 119 A C 1.953 179.364 177.584 -0.288 0.000 1.178 119 A CA 2.334 54.164 52.037 -0.345 0.000 0.642 119 A CB -1.005 17.909 19.000 -0.143 0.000 0.816 119 A HN 0.537 nan 8.150 nan 0.000 0.453 120 R N -0.919 119.462 120.500 -0.199 0.000 2.115 120 R HA -0.069 4.272 4.340 0.001 0.000 0.226 120 R C 2.408 178.618 176.300 -0.149 0.000 1.100 120 R CA 1.618 57.628 56.100 -0.150 0.000 0.980 120 R CB -0.564 29.675 30.300 -0.101 0.000 0.875 120 R HN 0.766 nan 8.270 nan 0.000 0.445 121 T N -1.296 113.154 114.554 -0.174 0.000 3.007 121 T HA -0.010 4.341 4.350 0.001 0.000 0.270 121 T C 1.660 176.245 174.700 -0.192 0.000 1.107 121 T CA 0.847 62.871 62.100 -0.126 0.000 1.118 121 T CB -0.009 68.830 68.868 -0.048 0.000 0.889 121 T HN 0.145 nan 8.240 nan 0.000 0.506 122 L N -0.086 120.941 121.223 -0.326 0.000 2.513 122 L HA 0.413 4.754 4.340 0.001 0.000 0.222 122 L C 2.074 178.817 176.870 -0.212 0.000 1.096 122 L CA 0.377 55.020 54.840 -0.329 0.000 0.857 122 L CB -0.301 41.432 42.059 -0.543 0.000 1.026 122 L HN 0.542 nan 8.230 nan 0.000 0.469 123 G N 0.943 109.634 108.800 -0.183 0.000 2.136 123 G HA2 -0.228 3.733 3.960 0.001 0.000 0.242 123 G HA3 -0.228 3.733 3.960 0.001 0.000 0.242 123 G C -0.003 174.823 174.900 -0.124 0.000 0.989 123 G CA 0.102 45.126 45.100 -0.126 0.000 0.682 123 G HN 0.117 nan 8.290 nan 0.000 0.522 124 V N 0.994 120.810 119.914 -0.164 0.000 2.459 124 V HA 0.524 4.645 4.120 0.001 0.000 0.295 124 V C -1.743 174.274 176.094 -0.127 0.000 1.029 124 V CA -1.993 60.227 62.300 -0.134 0.000 0.874 124 V CB 1.969 33.700 31.823 -0.153 0.000 0.985 124 V HN 0.061 nan 8.190 nan 0.000 0.438 125 P HA -0.017 nan 4.420 nan 0.000 0.265 125 P C 0.609 177.835 177.300 -0.122 0.000 1.187 125 P CA -0.031 63.026 63.100 -0.071 0.000 0.766 125 P CB 0.584 32.317 31.700 0.055 0.000 0.820 126 L N 4.412 125.449 121.223 -0.310 0.000 2.046 126 L HA -0.051 4.290 4.340 0.001 0.000 0.208 126 L C 2.215 178.975 176.870 -0.182 0.000 1.077 126 L CA 2.558 57.213 54.840 -0.309 0.000 0.747 126 L CB -1.752 39.971 42.059 -0.559 0.000 0.896 126 L HN 0.506 nan 8.230 nan 0.000 0.432 127 G N -1.699 107.132 108.800 0.050 0.000 2.440 127 G HA2 -0.277 3.684 3.960 0.001 0.000 0.218 127 G HA3 -0.277 3.684 3.960 0.001 0.000 0.218 127 G C 1.433 176.308 174.900 -0.042 0.000 1.154 127 G CA 1.268 46.370 45.100 0.002 0.000 0.767 127 G HN 0.441 nan 8.290 nan 0.000 0.552 128 T N 1.458 116.013 114.554 0.001 0.000 2.635 128 T HA -0.111 4.240 4.350 0.001 0.000 0.267 128 T C 2.367 177.067 174.700 0.001 0.000 1.040 128 T CA 1.140 63.245 62.100 0.007 0.000 1.156 128 T CB -0.317 68.555 68.868 0.007 0.000 0.863 128 T HN 0.148 nan 8.240 nan 0.000 0.430 129 L N 0.268 121.486 121.223 -0.009 0.000 2.187 129 L HA -0.027 4.314 4.340 0.001 0.000 0.213 129 L C 2.054 178.943 176.870 0.033 0.000 1.100 129 L CA 0.993 55.872 54.840 0.065 0.000 0.765 129 L CB -0.411 41.752 42.059 0.174 0.000 0.904 129 L HN 0.298 nan 8.230 nan 0.000 0.437 130 L N -1.237 119.913 121.223 -0.122 0.000 2.567 130 L HA 0.193 4.534 4.340 0.001 0.000 0.225 130 L C 1.406 178.222 176.870 -0.091 0.000 1.119 130 L CA 0.579 55.299 54.840 -0.199 0.000 0.871 130 L CB 0.035 41.867 42.059 -0.379 0.000 1.036 130 L HN 0.407 nan 8.230 nan 0.000 0.459 131 G N -0.298 108.483 108.800 -0.031 0.000 2.163 131 G HA2 -0.188 3.773 3.960 0.001 0.000 0.213 131 G HA3 -0.188 3.773 3.960 0.001 0.000 0.213 131 G C 0.490 175.416 174.900 0.044 0.000 0.991 131 G CA -0.343 44.771 45.100 0.025 0.000 0.653 131 G HN 0.465 nan 8.290 nan 0.000 0.518 132 G N -0.516 108.276 108.800 -0.013 0.000 2.507 132 G HA2 0.637 4.598 3.960 0.001 0.000 0.271 132 G HA3 0.637 4.598 3.960 0.001 0.000 0.271 132 G C 0.077 174.997 174.900 0.034 0.000 1.189 132 G CA 0.199 45.270 45.100 -0.048 0.000 0.859 132 G HN 1.480 nan 8.290 nan 0.000 0.542 133 H N -2.233 116.829 119.070 -0.014 0.000 3.038 133 H HA 0.367 4.923 4.556 0.001 0.000 0.238 133 H C 0.074 175.391 175.328 -0.018 0.000 1.246 133 H CA -0.665 55.373 56.048 -0.015 0.000 0.966 133 H CB -0.313 29.447 29.762 -0.004 0.000 2.394 133 H HN 0.297 nan 8.280 nan 0.000 0.633 134 K N 0.713 121.040 120.400 -0.122 0.000 2.154 134 K HA 0.187 4.508 4.320 0.001 0.000 0.264 134 K C 0.134 176.700 176.600 -0.056 0.000 1.008 134 K CA -0.263 55.977 56.287 -0.078 0.000 0.937 134 K CB 1.492 33.930 32.500 -0.103 0.000 1.002 134 K HN 0.378 nan 8.250 nan 0.000 0.469 135 E N 0.654 120.830 120.200 -0.040 0.000 2.389 135 E HA -0.009 4.342 4.350 0.001 0.000 0.199 135 E C -0.231 176.327 176.600 -0.070 0.000 0.978 135 E CA 0.435 56.806 56.400 -0.049 0.000 0.912 135 E CB 0.674 30.359 29.700 -0.024 0.000 0.907 135 E HN 0.369 nan 8.360 nan 0.000 0.494 136 Q N 0.598 120.360 119.800 -0.063 0.000 2.397 136 Q HA 0.458 4.799 4.340 0.001 0.000 0.275 136 Q C -0.801 175.160 176.000 -0.066 0.000 1.090 136 Q CA -0.835 54.929 55.803 -0.064 0.000 0.809 136 Q CB 3.003 31.713 28.738 -0.046 0.000 1.362 136 Q HN 0.008 nan 8.270 nan 0.000 0.431 137 V N -1.937 117.936 119.914 -0.067 0.000 2.769 137 V HA 0.562 4.683 4.120 0.001 0.000 0.312 137 V C -0.292 175.783 176.094 -0.031 0.000 1.061 137 V CA -0.925 61.343 62.300 -0.053 0.000 0.931 137 V CB 2.048 33.822 31.823 -0.080 0.000 1.010 137 V HN 0.700 nan 8.190 nan 0.000 0.433 138 E N 2.206 122.400 120.200 -0.010 0.000 2.343 138 E HA 0.598 4.949 4.350 0.001 0.000 0.269 138 E C -0.497 176.106 176.600 0.005 0.000 1.047 138 E CA -0.534 55.861 56.400 -0.009 0.000 0.874 138 E CB 2.039 31.737 29.700 -0.002 0.000 1.033 138 E HN 0.941 nan 8.360 nan 0.000 0.409 139 V N -1.516 118.405 119.914 0.012 0.000 3.007 139 V HA 0.909 5.030 4.120 0.001 0.000 0.311 139 V C -0.035 176.141 176.094 0.136 0.000 1.120 139 V CA -0.720 61.617 62.300 0.062 0.000 0.980 139 V CB 1.775 33.660 31.823 0.104 0.000 1.033 139 V HN 0.736 nan 8.190 nan 0.000 0.429 140 G N -0.025 108.812 108.800 0.061 0.000 2.816 140 G HA2 0.750 4.711 3.960 0.001 0.000 0.288 140 G HA3 0.750 4.711 3.960 0.001 0.000 0.288 140 G C -1.452 173.293 174.900 -0.258 0.000 1.334 140 G CA -0.595 44.483 45.100 -0.037 0.000 0.978 140 G HN 1.517 nan 8.290 nan 0.000 0.493 141 V N -0.618 119.019 119.914 -0.461 0.000 2.789 141 V HA 0.754 4.875 4.120 0.001 0.000 0.311 141 V C -0.595 175.264 176.094 -0.391 0.000 1.073 141 V CA -0.612 61.294 62.300 -0.657 0.000 0.921 141 V CB 2.239 33.289 31.823 -1.288 0.000 1.009 141 V HN 0.755 nan 8.190 nan 0.000 0.426 142 S N 6.791 122.317 115.700 -0.290 0.000 2.437 142 S HA 0.698 5.169 4.470 0.001 0.000 0.305 142 S C -0.890 173.636 174.600 -0.124 0.000 1.109 142 S CA -0.434 57.673 58.200 -0.154 0.000 1.099 142 S CB 1.137 64.295 63.200 -0.070 0.000 1.004 142 S HN 0.515 nan 8.310 nan 0.000 0.475 143 L N 3.172 124.355 121.223 -0.066 0.000 2.296 143 L HA 0.560 4.900 4.340 0.001 0.000 0.286 143 L C 1.066 177.954 176.870 0.031 0.000 1.023 143 L CA -0.033 54.801 54.840 -0.010 0.000 0.812 143 L CB 0.793 42.866 42.059 0.023 0.000 1.223 143 L HN 0.784 nan 8.230 nan 0.000 0.421 144 G N 3.268 112.088 108.800 0.034 0.000 2.653 144 G HA2 0.367 4.327 3.960 0.001 0.000 0.265 144 G HA3 0.367 4.327 3.960 0.001 0.000 0.265 144 G C 0.072 175.022 174.900 0.085 0.000 1.237 144 G CA -0.654 44.477 45.100 0.051 0.000 0.946 144 G HN 0.524 nan 8.290 nan 0.000 0.522 145 I N 1.090 121.712 120.570 0.088 0.000 2.533 145 I HA 0.061 4.232 4.170 0.001 0.000 0.284 145 I C 0.393 176.534 176.117 0.040 0.000 1.109 145 I CA -0.027 61.343 61.300 0.117 0.000 1.412 145 I CB 0.866 38.905 38.000 0.064 0.000 1.396 145 I HN 0.292 nan 8.210 nan 0.000 0.543 146 Q N 4.679 124.535 119.800 0.093 0.000 2.195 146 Q HA 0.422 4.763 4.340 0.001 0.000 0.250 146 Q C 0.760 176.678 176.000 -0.138 0.000 0.988 146 Q CA -0.526 55.290 55.803 0.021 0.000 0.911 146 Q CB 1.291 30.094 28.738 0.108 0.000 1.258 146 Q HN 0.751 nan 8.270 nan 0.000 0.475 147 A N 0.433 123.172 122.820 -0.134 0.000 2.066 147 A HA -0.046 4.274 4.320 0.001 0.000 0.218 147 A C 0.068 177.476 177.584 -0.293 0.000 1.157 147 A CA 1.810 53.705 52.037 -0.238 0.000 0.670 147 A CB -0.166 18.752 19.000 -0.136 0.000 0.804 147 A HN 0.789 nan 8.150 nan 0.000 0.453 148 D N -4.213 116.142 120.400 -0.075 0.000 2.779 148 D HA 0.203 4.844 4.640 0.001 0.000 0.331 148 D C 0.245 176.811 176.300 0.443 0.000 1.331 148 D CA -0.353 53.733 54.000 0.143 0.000 0.866 148 D CB -0.196 40.655 40.800 0.084 0.000 1.409 148 D HN -0.059 nan 8.370 nan 0.000 0.486 149 E N -0.964 119.494 120.200 0.429 0.000 2.038 149 E HA -0.206 4.145 4.350 0.001 0.000 0.195 149 E C 1.560 178.246 176.600 0.143 0.000 1.000 149 E CA 1.141 57.679 56.400 0.231 0.000 0.803 149 E CB -0.030 29.734 29.700 0.107 0.000 0.750 149 E HN 0.349 nan 8.360 nan 0.000 0.448 150 Q N -0.098 119.767 119.800 0.109 0.000 2.172 150 Q HA -0.047 4.294 4.340 0.001 0.000 0.200 150 Q C 2.108 178.153 176.000 0.073 0.000 0.964 150 Q CA 1.111 56.957 55.803 0.072 0.000 0.855 150 Q CB -0.115 28.651 28.738 0.047 0.000 0.918 150 Q HN 0.239 nan 8.270 nan 0.000 0.444 151 A N 0.007 122.876 122.820 0.081 0.000 1.933 151 A HA -0.156 4.165 4.320 0.001 0.000 0.218 151 A C 2.304 179.939 177.584 0.084 0.000 1.175 151 A CA 1.947 54.022 52.037 0.064 0.000 0.628 151 A CB -0.729 18.300 19.000 0.049 0.000 0.814 151 A HN 0.363 nan 8.150 nan 0.000 0.444 152 T N -0.487 114.147 114.554 0.134 0.000 2.708 152 T HA -0.113 4.238 4.350 0.001 0.000 0.266 152 T C 1.840 176.602 174.700 0.104 0.000 1.037 152 T CA 1.667 63.848 62.100 0.136 0.000 1.146 152 T CB -0.348 68.627 68.868 0.179 0.000 0.865 152 T HN 0.153 nan 8.240 nan 0.000 0.435 153 V N 1.889 121.870 119.914 0.112 0.000 2.548 153 V HA -0.108 4.013 4.120 0.001 0.000 0.249 153 V C 2.408 178.601 176.094 0.165 0.000 1.055 153 V CA 1.506 63.903 62.300 0.161 0.000 1.065 153 V CB -0.427 31.470 31.823 0.122 0.000 0.681 153 V HN 0.581 nan 8.190 nan 0.000 0.462 154 D N -0.205 120.250 120.400 0.091 0.000 2.183 154 D HA -0.136 4.505 4.640 0.001 0.000 0.203 154 D C 2.032 178.337 176.300 0.009 0.000 0.969 154 D CA 0.901 54.935 54.000 0.057 0.000 0.842 154 D CB 0.315 41.133 40.800 0.029 0.000 0.957 154 D HN 0.358 nan 8.370 nan 0.000 0.484 155 L N 0.516 121.736 121.223 -0.005 0.000 2.131 155 L HA -0.047 4.293 4.340 0.001 0.000 0.206 155 L C 2.427 179.232 176.870 -0.108 0.000 1.087 155 L CA 0.888 55.676 54.840 -0.086 0.000 0.767 155 L CB -0.423 41.620 42.059 -0.027 0.000 0.917 155 L HN -0.124 nan 8.230 nan 0.000 0.441 156 V N -0.314 119.586 119.914 -0.023 0.000 2.261 156 V HA -0.298 3.822 4.120 0.001 0.000 0.246 156 V C 2.699 178.677 176.094 -0.192 0.000 1.047 156 V CA 2.000 64.238 62.300 -0.104 0.000 1.015 156 V CB -0.704 31.025 31.823 -0.156 0.000 0.642 156 V HN 0.458 nan 8.190 nan 0.000 0.446 157 R N 0.048 120.543 120.500 -0.008 0.000 2.112 157 R HA -0.266 4.075 4.340 0.001 0.000 0.242 157 R C 2.587 178.891 176.300 0.005 0.000 1.137 157 R CA 2.387 58.579 56.100 0.154 0.000 0.944 157 R CB -0.415 30.057 30.300 0.287 0.000 0.857 157 R HN 0.448 nan 8.270 nan 0.000 0.435 158 R N -0.476 119.977 120.500 -0.079 0.000 2.094 158 R HA -0.217 4.124 4.340 0.001 0.000 0.239 158 R C 1.991 178.230 176.300 -0.102 0.000 1.137 158 R CA 2.421 58.434 56.100 -0.145 0.000 0.943 158 R CB -0.486 29.632 30.300 -0.303 0.000 0.850 158 R HN 0.539 nan 8.270 nan 0.000 0.433 159 H N -0.725 118.338 119.070 -0.013 0.000 2.357 159 H HA -0.055 4.502 4.556 0.001 0.000 0.301 159 H C 2.164 177.526 175.328 0.056 0.000 1.082 159 H CA 1.297 57.375 56.048 0.050 0.000 1.342 159 H CB 0.131 29.859 29.762 -0.056 0.000 1.389 159 H HN 0.010 nan 8.280 nan 0.000 0.511 160 V N 0.958 120.881 119.914 0.016 0.000 2.453 160 V HA -0.258 3.863 4.120 0.001 0.000 0.252 160 V C 2.278 178.380 176.094 0.014 0.000 1.068 160 V CA 2.076 64.341 62.300 -0.058 0.000 1.070 160 V CB -0.313 31.344 31.823 -0.276 0.000 0.664 160 V HN 0.402 nan 8.190 nan 0.000 0.461 161 E N 0.180 120.399 120.200 0.032 0.000 2.158 161 E HA -0.161 4.189 4.350 0.001 0.000 0.191 161 E C 2.133 178.744 176.600 0.019 0.000 0.982 161 E CA 1.007 57.426 56.400 0.031 0.000 0.823 161 E CB -0.190 29.527 29.700 0.030 0.000 0.766 161 E HN 0.654 nan 8.360 nan 0.000 0.468 162 Q N -0.961 118.866 119.800 0.046 0.000 2.482 162 Q HA 0.144 4.485 4.340 0.001 0.000 0.209 162 Q C 0.729 176.665 176.000 -0.106 0.000 0.961 162 Q CA 0.491 56.295 55.803 0.001 0.000 0.945 162 Q CB 0.333 29.133 28.738 0.102 0.000 1.012 162 Q HN 0.413 nan 8.270 nan 0.000 0.515 163 G N 0.292 109.060 108.800 -0.053 0.000 2.160 163 G HA2 -0.319 3.642 3.960 0.001 0.000 0.251 163 G HA3 -0.319 3.642 3.960 0.001 0.000 0.251 163 G C -0.374 174.435 174.900 -0.151 0.000 1.008 163 G CA -0.246 44.800 45.100 -0.091 0.000 0.724 163 G HN 0.357 nan 8.290 nan 0.000 0.514 164 Y N -0.641 119.633 120.300 -0.043 0.000 2.805 164 Y HA 0.217 4.767 4.550 0.001 0.000 0.337 164 Y C 1.999 177.850 175.900 -0.083 0.000 1.252 164 Y CA 0.781 58.837 58.100 -0.074 0.000 1.515 164 Y CB 0.432 38.829 38.460 -0.106 0.000 1.305 164 Y HN 0.163 nan 8.280 nan 0.000 0.600 165 R N 1.046 121.586 120.500 0.066 0.000 2.362 165 R HA 0.161 4.502 4.340 0.001 0.000 0.227 165 R C 0.148 176.430 176.300 -0.031 0.000 0.905 165 R CA 0.012 56.112 56.100 -0.001 0.000 1.067 165 R CB 0.526 30.815 30.300 -0.017 0.000 1.078 165 R HN 0.375 nan 8.270 nan 0.000 0.516 166 R N 1.023 121.494 120.500 -0.049 0.000 2.626 166 R HA 0.276 4.617 4.340 0.001 0.000 0.274 166 R C -1.690 174.527 176.300 -0.138 0.000 1.031 166 R CA -0.559 55.473 56.100 -0.113 0.000 0.898 166 R CB 1.432 31.616 30.300 -0.194 0.000 1.222 166 R HN -0.090 nan 8.270 nan 0.000 0.455 167 I N 3.526 124.015 120.570 -0.136 0.000 2.378 167 I HA 0.401 4.572 4.170 0.001 0.000 0.291 167 I C 0.052 176.092 176.117 -0.129 0.000 0.992 167 I CA -0.607 60.605 61.300 -0.146 0.000 1.154 167 I CB 1.465 39.385 38.000 -0.135 0.000 1.315 167 I HN 0.475 nan 8.210 nan 0.000 0.448 168 K N 7.530 127.847 120.400 -0.138 0.000 2.358 168 K HA 0.623 4.944 4.320 0.001 0.000 0.260 168 K C -1.572 175.004 176.600 -0.039 0.000 0.956 168 K CA -0.551 55.684 56.287 -0.086 0.000 0.834 168 K CB 1.419 33.854 32.500 -0.108 0.000 1.102 168 K HN 0.541 nan 8.250 nan 0.000 0.431 169 L N 3.990 125.212 121.223 -0.002 0.000 2.296 169 L HA 0.392 4.733 4.340 0.001 0.000 0.286 169 L C -0.028 176.883 176.870 0.069 0.000 1.023 169 L CA -1.010 53.847 54.840 0.030 0.000 0.812 169 L CB 1.437 43.507 42.059 0.018 0.000 1.223 169 L HN 0.564 nan 8.230 nan 0.000 0.421 170 K N 4.490 124.945 120.400 0.091 0.000 2.451 170 K HA 0.389 4.710 4.320 0.001 0.000 0.280 170 K C -0.570 176.132 176.600 0.170 0.000 1.020 170 K CA 0.075 56.438 56.287 0.127 0.000 1.008 170 K CB 0.454 33.025 32.500 0.118 0.000 0.917 170 K HN 0.579 nan 8.250 nan 0.000 0.478 171 I N 0.056 120.740 120.570 0.190 0.000 3.042 171 I HA 0.628 4.799 4.170 0.001 0.000 0.310 171 I C -1.301 174.970 176.117 0.257 0.000 1.117 171 I CA -1.149 60.291 61.300 0.233 0.000 1.003 171 I CB 2.327 40.441 38.000 0.190 0.000 1.228 171 I HN 0.706 nan 8.210 nan 0.000 0.443 172 K N 1.547 122.100 120.400 0.255 0.000 2.522 172 K HA 0.686 5.006 4.320 0.001 0.000 0.275 172 K C -3.250 173.371 176.600 0.035 0.000 1.006 172 K CA -1.891 54.434 56.287 0.063 0.000 0.890 172 K CB 1.372 33.895 32.500 0.038 0.000 1.475 172 K HN 0.237 nan 8.250 nan 0.000 0.441 173 P HA 0.041 nan 4.420 nan 0.000 0.266 173 P C 0.529 177.873 177.300 0.073 0.000 1.195 173 P CA 1.397 64.443 63.100 -0.090 0.000 0.768 173 P CB 0.649 32.226 31.700 -0.205 0.000 0.838 174 G N 1.190 110.078 108.800 0.148 0.000 2.253 174 G HA2 -0.216 3.745 3.960 0.001 0.000 0.251 174 G HA3 -0.216 3.745 3.960 0.001 0.000 0.251 174 G C -0.348 174.753 174.900 0.335 0.000 0.998 174 G CA -0.190 45.022 45.100 0.186 0.000 0.621 174 G HN 0.601 nan 8.290 nan 0.000 0.524 175 W N 1.850 123.184 121.300 0.057 0.000 2.330 175 W HA 0.467 5.128 4.660 0.001 0.000 0.286 175 W C -0.116 176.456 176.519 0.088 0.000 1.019 175 W CA 0.300 57.678 57.345 0.055 0.000 1.485 175 W CB 0.668 30.148 29.460 0.034 0.000 1.457 175 W HN 0.334 nan 8.180 nan 0.000 0.359 176 D N -0.308 119.994 120.400 -0.163 0.000 2.712 176 D HA -0.033 4.608 4.640 0.001 0.000 0.181 176 D C 1.497 177.659 176.300 -0.229 0.000 1.434 176 D CA 0.223 54.142 54.000 -0.136 0.000 1.446 176 D CB 0.251 41.100 40.800 0.082 0.000 1.609 176 D HN -0.063 nan 8.370 nan 0.000 0.340 177 V N 1.010 120.840 119.914 -0.139 0.000 2.392 177 V HA -0.280 3.841 4.120 0.001 0.000 0.249 177 V C 2.333 178.256 176.094 -0.286 0.000 1.059 177 V CA 2.390 64.616 62.300 -0.123 0.000 1.051 177 V CB -0.889 30.929 31.823 -0.009 0.000 0.658 177 V HN 0.157 nan 8.190 nan 0.000 0.455 178 Q N 0.377 119.935 119.800 -0.404 0.000 1.993 178 Q HA -0.111 4.230 4.340 0.001 0.000 0.202 178 Q C 0.099 175.737 176.000 -0.604 0.000 0.984 178 Q CA 2.129 57.629 55.803 -0.506 0.000 0.837 178 Q CB -1.790 26.595 28.738 -0.588 0.000 0.902 178 Q HN 0.534 nan 8.270 nan 0.000 0.423 179 P HA -0.114 nan 4.420 nan 0.000 0.220 179 P C 1.125 178.225 177.300 -0.333 0.000 1.148 179 P CA 1.122 63.901 63.100 -0.535 0.000 0.803 179 P CB 0.086 31.457 31.700 -0.549 0.000 0.782 180 V N 0.630 120.322 119.914 -0.370 0.000 2.323 180 V HA -0.161 3.960 4.120 0.001 0.000 0.244 180 V C 3.019 178.790 176.094 -0.539 0.000 1.041 180 V CA 1.690 63.789 62.300 -0.335 0.000 1.025 180 V CB -1.061 30.610 31.823 -0.253 0.000 0.656 180 V HN 0.049 nan 8.190 nan 0.000 0.451 181 R N 0.519 120.564 120.500 -0.759 0.000 2.088 181 R HA -0.219 4.122 4.340 0.001 0.000 0.232 181 R C 2.357 178.417 176.300 -0.401 0.000 1.136 181 R CA 2.079 57.646 56.100 -0.889 0.000 0.926 181 R CB -0.686 29.283 30.300 -0.552 0.000 0.837 181 R HN 0.441 nan 8.270 nan 0.000 0.429 182 A N 0.012 122.673 122.820 -0.266 0.000 1.917 182 A HA -0.205 4.116 4.320 0.001 0.000 0.219 182 A C 2.236 179.774 177.584 -0.077 0.000 1.182 182 A CA 2.347 54.303 52.037 -0.136 0.000 0.633 182 A CB -1.078 17.867 19.000 -0.093 0.000 0.819 182 A HN 0.589 nan 8.150 nan 0.000 0.448 183 T N -0.877 113.635 114.554 -0.071 0.000 2.737 183 T HA -0.122 4.229 4.350 0.001 0.000 0.265 183 T C 2.083 176.850 174.700 0.113 0.000 1.038 183 T CA 1.660 63.803 62.100 0.073 0.000 1.144 183 T CB -0.209 68.680 68.868 0.035 0.000 0.866 183 T HN 0.499 nan 8.240 nan 0.000 0.434 184 R N 1.377 121.867 120.500 -0.016 0.000 2.148 184 R HA 0.057 4.397 4.340 0.001 0.000 0.223 184 R C 2.084 178.408 176.300 0.040 0.000 1.088 184 R CA 1.320 57.446 56.100 0.043 0.000 0.985 184 R CB -0.420 29.902 30.300 0.037 0.000 0.880 184 R HN 0.471 nan 8.270 nan 0.000 0.451 185 E N -0.828 119.359 120.200 -0.022 0.000 2.072 185 E HA -0.075 4.276 4.350 0.001 0.000 0.191 185 E C 1.567 178.106 176.600 -0.102 0.000 0.985 185 E CA 1.316 57.694 56.400 -0.037 0.000 0.801 185 E CB -0.072 29.594 29.700 -0.057 0.000 0.750 185 E HN 0.452 nan 8.360 nan 0.000 0.452 186 A N -0.401 122.317 122.820 -0.171 0.000 2.021 186 A HA 0.046 4.366 4.320 0.001 0.000 0.216 186 A C 0.420 177.540 177.584 -0.773 0.000 1.163 186 A CA 0.502 52.251 52.037 -0.481 0.000 0.676 186 A CB 0.161 18.830 19.000 -0.553 0.000 0.818 186 A HN 0.221 nan 8.150 nan 0.000 0.453 187 F N -1.148 118.797 119.950 -0.007 0.000 2.769 187 F HA 0.335 4.863 4.527 0.002 0.000 0.358 187 F C -2.170 173.634 175.800 0.007 0.000 1.285 187 F CA -1.602 56.398 58.000 0.000 0.000 1.199 187 F CB 1.647 40.646 39.000 -0.001 0.000 1.558 187 F HN 0.004 nan 8.300 nan 0.000 0.583 188 P HA -0.066 nan 4.420 nan 0.000 0.223 188 P C 0.637 177.994 177.300 0.095 0.000 1.151 188 P CA 1.302 64.456 63.100 0.089 0.000 0.787 188 P CB 0.391 32.120 31.700 0.048 0.000 0.788 189 D N -0.962 119.503 120.400 0.109 0.000 2.417 189 D HA 0.100 4.741 4.640 0.001 0.000 0.207 189 D C 1.158 177.502 176.300 0.073 0.000 1.075 189 D CA -0.059 53.990 54.000 0.081 0.000 0.851 189 D CB 0.023 40.864 40.800 0.068 0.000 0.976 189 D HN 0.269 nan 8.370 nan 0.000 0.505 190 I N -0.689 119.936 120.570 0.091 0.000 2.836 190 I HA 0.145 4.316 4.170 0.001 0.000 0.285 190 I C 0.589 176.716 176.117 0.018 0.000 1.174 190 I CA -0.684 60.638 61.300 0.036 0.000 1.405 190 I CB 0.735 38.725 38.000 -0.017 0.000 1.385 190 I HN -0.328 nan 8.210 nan 0.000 0.594 191 R N 4.689 125.185 120.500 -0.006 0.000 2.345 191 R HA 0.387 4.728 4.340 0.001 0.000 0.331 191 R C -1.289 174.990 176.300 -0.036 0.000 1.067 191 R CA -0.403 55.687 56.100 -0.016 0.000 0.962 191 R CB 0.288 30.571 30.300 -0.029 0.000 0.987 191 R HN 0.685 nan 8.270 nan 0.000 0.451 192 L N 4.541 125.755 121.223 -0.015 0.000 2.362 192 L HA 0.528 4.869 4.340 0.001 0.000 0.275 192 L C -0.688 176.178 176.870 -0.006 0.000 0.998 192 L CA -0.040 54.787 54.840 -0.022 0.000 0.820 192 L CB 2.144 44.203 42.059 -0.001 0.000 1.270 192 L HN 0.831 nan 8.230 nan 0.000 0.415 193 T N 1.980 116.523 114.554 -0.018 0.000 2.907 193 T HA 0.856 5.207 4.350 0.001 0.000 0.290 193 T C -0.606 174.110 174.700 0.027 0.000 1.066 193 T CA -0.238 61.875 62.100 0.022 0.000 1.012 193 T CB 1.606 70.500 68.868 0.043 0.000 1.184 193 T HN 0.900 nan 8.240 nan 0.000 0.522 194 V N -1.025 118.925 119.914 0.060 0.000 2.823 194 V HA 0.749 4.870 4.120 0.001 0.000 0.312 194 V C -1.284 174.879 176.094 0.115 0.000 1.072 194 V CA -0.918 61.424 62.300 0.070 0.000 0.937 194 V CB 1.872 33.726 31.823 0.053 0.000 1.013 194 V HN 0.981 nan 8.190 nan 0.000 0.430 195 D N 2.742 123.219 120.400 0.128 0.000 2.412 195 D HA 0.658 5.299 4.640 0.001 0.000 0.224 195 D C 0.707 177.118 176.300 0.184 0.000 1.093 195 D CA 0.194 54.291 54.000 0.162 0.000 0.850 195 D CB 1.683 42.575 40.800 0.153 0.000 1.046 195 D HN 0.886 nan 8.370 nan 0.000 0.507 196 A N 4.139 127.083 122.820 0.207 0.000 2.178 196 A HA 0.005 4.326 4.320 0.001 0.000 0.211 196 A C 1.187 178.948 177.584 0.294 0.000 1.157 196 A CA 0.303 52.527 52.037 0.312 0.000 0.780 196 A CB -0.573 18.588 19.000 0.269 0.000 0.828 196 A HN 0.858 nan 8.150 nan 0.000 0.476 197 N N -0.364 118.469 118.700 0.222 0.000 2.727 197 N HA -0.239 4.502 4.740 0.001 0.000 0.249 197 N C -0.044 175.571 175.510 0.175 0.000 1.048 197 N CA 0.608 53.768 53.050 0.184 0.000 0.714 197 N CB -1.167 37.410 38.487 0.150 0.000 0.959 197 N HN 0.344 nan 8.380 nan 0.000 0.544 198 S N -2.943 112.885 115.700 0.212 0.000 3.473 198 S HA -0.248 4.223 4.470 0.001 0.000 0.339 198 S C 0.907 175.590 174.600 0.139 0.000 1.148 198 S CA 1.014 59.333 58.200 0.197 0.000 0.969 198 S CB -1.438 61.883 63.200 0.201 0.000 0.936 198 S HN 0.871 nan 8.310 nan 0.000 0.530 199 A N -1.528 121.361 122.820 0.114 0.000 2.348 199 A HA 0.523 4.844 4.320 0.001 0.000 0.224 199 A C 0.303 177.761 177.584 -0.211 0.000 1.227 199 A CA 0.231 52.226 52.037 -0.070 0.000 0.885 199 A CB 0.228 19.125 19.000 -0.172 0.000 0.933 199 A HN 0.526 nan 8.150 nan 0.000 0.506 200 Y N -0.423 119.899 120.300 0.036 0.000 2.596 200 Y HA 0.575 5.126 4.550 0.001 0.000 0.326 200 Y C 1.018 176.912 175.900 -0.009 0.000 1.167 200 Y CA 0.023 58.133 58.100 0.016 0.000 1.246 200 Y CB 1.298 39.764 38.460 0.011 0.000 1.347 200 Y HN 0.122 nan 8.280 nan 0.000 0.515 201 T N -2.931 111.727 114.554 0.173 0.000 2.831 201 T HA 0.376 4.727 4.350 0.001 0.000 0.287 201 T C 0.413 175.141 174.700 0.047 0.000 1.070 201 T CA -0.808 61.333 62.100 0.068 0.000 1.010 201 T CB 0.662 69.555 68.868 0.042 0.000 1.264 201 T HN 0.562 nan 8.240 nan 0.000 0.532 202 L N 0.754 121.979 121.223 0.003 0.000 2.191 202 L HA 0.064 4.405 4.340 0.001 0.000 0.212 202 L C 3.102 179.977 176.870 0.009 0.000 1.103 202 L CA 1.497 56.331 54.840 -0.011 0.000 0.769 202 L CB -0.777 41.267 42.059 -0.024 0.000 0.908 202 L HN 0.945 nan 8.230 nan 0.000 0.438 203 A N -0.681 122.152 122.820 0.023 0.000 2.131 203 A HA -0.202 4.119 4.320 0.001 0.000 0.220 203 A C 1.601 179.213 177.584 0.048 0.000 1.158 203 A CA 1.601 53.656 52.037 0.030 0.000 0.665 203 A CB -0.395 18.623 19.000 0.030 0.000 0.795 203 A HN 0.410 nan 8.150 nan 0.000 0.460 204 D N -0.247 120.198 120.400 0.075 0.000 2.328 204 D HA 0.276 4.917 4.640 0.001 0.000 0.221 204 D C 1.828 178.145 176.300 0.029 0.000 1.072 204 D CA 0.731 54.794 54.000 0.106 0.000 0.850 204 D CB 0.142 41.108 40.800 0.277 0.000 0.922 204 D HN 0.454 nan 8.370 nan 0.000 0.516 205 A N 1.182 124.004 122.820 0.004 0.000 1.892 205 A HA -0.122 4.199 4.320 0.001 0.000 0.218 205 A C 2.359 179.930 177.584 -0.022 0.000 1.188 205 A CA 1.991 54.014 52.037 -0.025 0.000 0.631 205 A CB -0.994 17.993 19.000 -0.021 0.000 0.822 205 A HN 0.321 nan 8.150 nan 0.000 0.447 206 G N -0.999 107.798 108.800 -0.005 0.000 2.443 206 G HA2 -0.175 3.786 3.960 0.001 0.000 0.219 206 G HA3 -0.175 3.786 3.960 0.001 0.000 0.219 206 G C 1.668 176.568 174.900 0.001 0.000 1.131 206 G CA 1.176 46.274 45.100 -0.003 0.000 0.775 206 G HN 0.531 nan 8.290 nan 0.000 0.547 207 R N 0.340 120.848 120.500 0.013 0.000 2.062 207 R HA 0.189 4.530 4.340 0.001 0.000 0.229 207 R C 2.426 178.718 176.300 -0.014 0.000 1.128 207 R CA 0.954 57.069 56.100 0.025 0.000 0.960 207 R CB -0.769 29.576 30.300 0.076 0.000 0.855 207 R HN 0.356 nan 8.270 nan 0.000 0.432 208 L N 0.196 121.375 121.223 -0.073 0.000 2.141 208 L HA -0.003 4.338 4.340 0.001 0.000 0.209 208 L C 2.640 179.469 176.870 -0.069 0.000 1.094 208 L CA 1.384 56.145 54.840 -0.132 0.000 0.763 208 L CB -0.432 41.488 42.059 -0.231 0.000 0.908 208 L HN 0.222 nan 8.230 nan 0.000 0.437 209 R N 0.495 120.966 120.500 -0.049 0.000 2.159 209 R HA -0.201 4.140 4.340 0.001 0.000 0.237 209 R C 2.082 178.362 176.300 -0.034 0.000 1.131 209 R CA 1.320 57.397 56.100 -0.038 0.000 0.982 209 R CB -0.088 30.193 30.300 -0.032 0.000 0.868 209 R HN 0.464 nan 8.270 nan 0.000 0.453 210 Q N 0.045 119.835 119.800 -0.017 0.000 2.437 210 Q HA -0.087 4.254 4.340 0.001 0.000 0.210 210 Q C 1.735 177.752 176.000 0.028 0.000 0.972 210 Q CA 0.758 56.559 55.803 -0.003 0.000 0.903 210 Q CB 0.111 28.868 28.738 0.032 0.000 0.967 210 Q HN 0.441 nan 8.270 nan 0.000 0.486 211 L N 0.122 121.370 121.223 0.041 0.000 2.418 211 L HA -0.092 4.249 4.340 0.001 0.000 0.218 211 L C 1.347 178.244 176.870 0.045 0.000 1.125 211 L CA 0.209 55.123 54.840 0.122 0.000 0.835 211 L CB -0.145 41.951 42.059 0.063 0.000 0.953 211 L HN 0.089 nan 8.230 nan 0.000 0.454 212 D N 1.069 121.445 120.400 -0.040 0.000 2.133 212 D HA -0.242 4.399 4.640 0.001 0.000 0.195 212 D C 1.940 178.165 176.300 -0.126 0.000 0.997 212 D CA 1.655 55.618 54.000 -0.063 0.000 0.840 212 D CB -0.038 40.723 40.800 -0.066 0.000 0.947 212 D HN 0.579 nan 8.370 nan 0.000 0.452 213 E N -0.468 119.564 120.200 -0.280 0.000 2.409 213 E HA -0.170 4.181 4.350 0.001 0.000 0.198 213 E C 0.971 177.307 176.600 -0.439 0.000 1.024 213 E CA 0.690 56.852 56.400 -0.397 0.000 0.861 213 E CB -0.455 28.921 29.700 -0.541 0.000 0.788 213 E HN 0.444 nan 8.360 nan 0.000 0.521 214 Y N 1.285 121.577 120.300 -0.014 0.000 2.468 214 Y HA 0.103 4.654 4.550 0.001 0.000 0.268 214 Y C -0.223 175.676 175.900 -0.002 0.000 1.177 214 Y CA -0.348 57.747 58.100 -0.009 0.000 1.265 214 Y CB 0.338 38.787 38.460 -0.017 0.000 1.103 214 Y HN -0.092 nan 8.280 nan 0.000 0.522 215 D N 0.964 121.411 120.400 0.078 0.000 2.697 215 D HA -0.201 4.440 4.640 0.001 0.000 0.238 215 D C -0.540 175.800 176.300 0.067 0.000 1.152 215 D CA 0.652 54.685 54.000 0.056 0.000 0.666 215 D CB -1.219 39.610 40.800 0.048 0.000 1.037 215 D HN 0.369 nan 8.370 nan 0.000 0.423 216 L N 0.243 121.506 121.223 0.068 0.000 2.416 216 L HA 0.073 4.414 4.340 0.001 0.000 0.272 216 L C 2.190 179.090 176.870 0.050 0.000 1.161 216 L CA -0.195 54.680 54.840 0.059 0.000 0.845 216 L CB 0.677 42.770 42.059 0.057 0.000 1.119 216 L HN -0.015 nan 8.230 nan 0.000 0.464 217 T N 0.984 115.568 114.554 0.049 0.000 2.759 217 T HA -0.125 4.225 4.350 0.001 0.000 0.269 217 T C 0.423 175.169 174.700 0.076 0.000 1.042 217 T CA 1.342 63.477 62.100 0.058 0.000 1.140 217 T CB -0.207 68.695 68.868 0.056 0.000 0.864 217 T HN 0.865 nan 8.240 nan 0.000 0.455 218 C N -0.844 118.507 119.300 0.084 0.000 3.197 218 C HA 0.632 5.093 4.460 0.001 0.000 0.343 218 C C -1.588 173.454 174.990 0.086 0.000 1.291 218 C CA -2.130 56.940 59.018 0.088 0.000 1.191 218 C CB 0.415 28.228 27.740 0.122 0.000 1.444 218 C HN 0.298 nan 8.230 nan 0.000 0.468 219 I N 1.633 122.244 120.570 0.068 0.000 2.378 219 I HA 0.455 4.626 4.170 0.001 0.000 0.291 219 I C 0.120 176.292 176.117 0.093 0.000 0.992 219 I CA 0.028 61.367 61.300 0.065 0.000 1.154 219 I CB 1.493 39.501 38.000 0.013 0.000 1.315 219 I HN 0.783 nan 8.210 nan 0.000 0.448 220 E N 5.692 125.968 120.200 0.127 0.000 2.200 220 E HA 0.104 4.454 4.350 0.001 0.000 0.283 220 E C -0.272 176.419 176.600 0.150 0.000 1.015 220 E CA -0.659 55.823 56.400 0.136 0.000 0.819 220 E CB 0.824 30.639 29.700 0.192 0.000 1.081 220 E HN 0.483 nan 8.360 nan 0.000 0.397 221 Q N 3.835 123.712 119.800 0.129 0.000 2.413 221 Q HA -0.174 4.167 4.340 0.001 0.000 0.364 221 Q C -1.956 174.232 176.000 0.313 0.000 1.359 221 Q CA 0.495 56.421 55.803 0.204 0.000 1.097 221 Q CB -0.184 28.629 28.738 0.125 0.000 1.286 221 Q HN 0.488 nan 8.270 nan 0.000 0.358 222 P HA -0.141 nan 4.420 nan 0.000 0.217 222 P C 0.261 177.672 177.300 0.184 0.000 1.150 222 P CA 1.248 64.479 63.100 0.220 0.000 0.832 222 P CB 0.279 32.001 31.700 0.036 0.000 0.787 223 L N -1.548 119.687 121.223 0.020 0.000 2.693 223 L HA 0.606 4.947 4.340 0.001 0.000 0.253 223 L C 0.788 177.748 176.870 0.151 0.000 1.155 223 L CA -1.638 53.152 54.840 -0.083 0.000 1.026 223 L CB -0.494 41.282 42.059 -0.471 0.000 1.817 223 L HN -0.271 nan 8.230 nan 0.000 0.556 224 A N 0.503 123.373 122.820 0.083 0.000 2.561 224 A HA -0.078 4.243 4.320 0.001 0.000 0.234 224 A C 0.868 178.524 177.584 0.120 0.000 1.055 224 A CA 0.077 52.169 52.037 0.092 0.000 0.756 224 A CB -0.250 18.726 19.000 -0.041 0.000 0.986 224 A HN 0.877 nan 8.150 nan 0.000 0.505 225 W N 2.465 123.791 121.300 0.044 0.000 2.387 225 W HA -0.134 4.527 4.660 0.001 0.000 0.272 225 W C -0.100 176.395 176.519 -0.041 0.000 1.224 225 W CA 1.346 58.680 57.345 -0.018 0.000 1.210 225 W CB -0.450 28.958 29.460 -0.086 0.000 1.125 225 W HN 0.756 nan 8.180 nan 0.000 0.572 226 D N -0.325 119.523 120.400 -0.920 0.000 2.462 226 D HA 0.033 4.674 4.640 0.001 0.000 0.221 226 D C -0.276 175.763 176.300 -0.435 0.000 1.173 226 D CA -0.223 53.229 54.000 -0.913 0.000 0.831 226 D CB -0.658 39.199 40.800 -1.571 0.000 1.001 226 D HN 0.079 nan 8.370 nan 0.000 0.499 227 D N 0.516 120.782 120.400 -0.223 0.000 2.198 227 D HA 0.261 4.902 4.640 0.001 0.000 0.247 227 D C 0.457 176.765 176.300 0.014 0.000 1.010 227 D CA -0.553 53.407 54.000 -0.066 0.000 0.880 227 D CB 2.124 42.943 40.800 0.031 0.000 1.209 227 D HN 0.028 nan 8.370 nan 0.000 0.451 228 L N 2.310 123.531 121.223 -0.004 0.000 2.713 228 L HA 0.055 4.396 4.340 0.001 0.000 0.223 228 L C 2.307 179.199 176.870 0.037 0.000 1.040 228 L CA -0.124 54.712 54.840 -0.006 0.000 0.894 228 L CB -0.052 41.965 42.059 -0.069 0.000 1.361 228 L HN 0.269 nan 8.230 nan 0.000 0.490 229 V N 0.716 120.632 119.914 0.005 0.000 2.287 229 V HA -0.295 3.826 4.120 0.001 0.000 0.248 229 V C 2.020 178.117 176.094 0.004 0.000 1.053 229 V CA 2.234 64.531 62.300 -0.004 0.000 1.027 229 V CB -0.389 31.421 31.823 -0.020 0.000 0.646 229 V HN 0.407 nan 8.190 nan 0.000 0.447 230 D N -1.568 118.831 120.400 -0.002 0.000 2.123 230 D HA -0.123 4.518 4.640 0.001 0.000 0.200 230 D C 2.131 178.393 176.300 -0.064 0.000 0.976 230 D CA 1.048 55.021 54.000 -0.045 0.000 0.831 230 D CB -0.400 40.350 40.800 -0.084 0.000 0.974 230 D HN 0.502 nan 8.370 nan 0.000 0.469 231 H N 0.697 119.744 119.070 -0.037 0.000 2.353 231 H HA -0.121 4.436 4.556 0.001 0.000 0.298 231 H C 2.029 177.333 175.328 -0.039 0.000 1.103 231 H CA 1.551 57.578 56.048 -0.036 0.000 1.293 231 H CB -0.099 29.636 29.762 -0.045 0.000 1.372 231 H HN 0.105 nan 8.280 nan 0.000 0.501 232 A N 1.017 123.884 122.820 0.078 0.000 1.940 232 A HA -0.232 4.089 4.320 0.001 0.000 0.219 232 A C 2.400 179.987 177.584 0.004 0.000 1.176 232 A CA 2.010 54.060 52.037 0.023 0.000 0.631 232 A CB -0.359 18.644 19.000 0.003 0.000 0.814 232 A HN 0.511 nan 8.150 nan 0.000 0.446 233 E N -0.324 119.872 120.200 -0.006 0.000 2.072 233 E HA -0.141 4.210 4.350 0.001 0.000 0.190 233 E C 1.783 178.370 176.600 -0.022 0.000 0.982 233 E CA 1.230 57.620 56.400 -0.016 0.000 0.803 233 E CB -0.437 29.249 29.700 -0.023 0.000 0.755 233 E HN 0.373 nan 8.360 nan 0.000 0.453 234 L N 0.807 122.009 121.223 -0.035 0.000 2.012 234 L HA -0.068 4.273 4.340 0.001 0.000 0.210 234 L C 2.332 179.188 176.870 -0.023 0.000 1.073 234 L CA 2.366 57.181 54.840 -0.042 0.000 0.748 234 L CB -1.016 40.996 42.059 -0.079 0.000 0.891 234 L HN 0.250 nan 8.230 nan 0.000 0.431 235 A N -0.674 122.143 122.820 -0.005 0.000 2.076 235 A HA -0.213 4.108 4.320 0.001 0.000 0.220 235 A C 2.362 179.941 177.584 -0.008 0.000 1.160 235 A CA 1.703 53.739 52.037 -0.001 0.000 0.653 235 A CB -0.610 18.394 19.000 0.007 0.000 0.801 235 A HN 0.560 nan 8.150 nan 0.000 0.455 236 R N -1.095 119.400 120.500 -0.010 0.000 2.236 236 R HA 0.073 4.413 4.340 0.001 0.000 0.208 236 R C 1.753 178.045 176.300 -0.013 0.000 1.036 236 R CA 0.717 56.811 56.100 -0.010 0.000 1.001 236 R CB -0.038 30.256 30.300 -0.009 0.000 0.896 236 R HN 0.439 nan 8.270 nan 0.000 0.464 237 R N 0.407 120.896 120.500 -0.017 0.000 2.308 237 R HA 0.224 4.565 4.340 0.001 0.000 0.202 237 R C 0.780 177.066 176.300 -0.023 0.000 0.898 237 R CA 0.315 56.403 56.100 -0.020 0.000 1.046 237 R CB 0.456 30.742 30.300 -0.022 0.000 1.026 237 R HN 0.196 nan 8.270 nan 0.000 0.512 238 I N -3.655 116.900 120.570 -0.024 0.000 2.969 238 I HA 0.367 4.538 4.170 0.001 0.000 0.307 238 I C 0.297 176.401 176.117 -0.021 0.000 1.149 238 I CA -1.101 60.183 61.300 -0.027 0.000 1.008 238 I CB 2.443 40.421 38.000 -0.037 0.000 1.232 238 I HN -0.259 nan 8.210 nan 0.000 0.435 239 R N 0.818 121.304 120.500 -0.022 0.000 2.223 239 R HA 0.174 4.515 4.340 0.001 0.000 0.198 239 R C 0.117 176.410 176.300 -0.010 0.000 0.984 239 R CA 0.252 56.342 56.100 -0.016 0.000 1.018 239 R CB 0.072 30.360 30.300 -0.020 0.000 0.945 239 R HN 0.678 nan 8.270 nan 0.000 0.479 240 T N 3.888 118.436 114.554 -0.011 0.000 2.888 240 T HA 0.110 4.461 4.350 0.001 0.000 0.301 240 T C -2.327 172.376 174.700 0.005 0.000 1.001 240 T CA -0.950 61.151 62.100 0.000 0.000 1.147 240 T CB 1.047 69.916 68.868 0.001 0.000 0.931 240 T HN -0.050 nan 8.240 nan 0.000 0.541 241 P HA 0.196 nan 4.420 nan 0.000 0.269 241 P C -0.515 176.799 177.300 0.023 0.000 1.209 241 P CA -0.301 62.809 63.100 0.016 0.000 0.776 241 P CB 0.443 32.156 31.700 0.022 0.000 0.876 242 L N 1.821 123.055 121.223 0.017 0.000 2.325 242 L HA 0.452 4.793 4.340 0.001 0.000 0.279 242 L C 0.299 177.168 176.870 -0.003 0.000 1.054 242 L CA -0.682 54.175 54.840 0.028 0.000 0.804 242 L CB 1.369 43.462 42.059 0.056 0.000 1.200 242 L HN 0.421 nan 8.230 nan 0.000 0.436 243 C N 4.891 124.194 119.300 0.004 0.000 2.351 243 C HA 0.594 5.055 4.460 0.001 0.000 0.326 243 C C -0.202 174.723 174.990 -0.107 0.000 1.272 243 C CA -0.685 58.302 59.018 -0.051 0.000 1.650 243 C CB 0.488 28.238 27.740 0.017 0.000 2.257 243 C HN 0.551 nan 8.230 nan 0.000 0.505 244 L N 5.786 126.897 121.223 -0.188 0.000 2.307 244 L HA 0.440 4.781 4.340 0.001 0.000 0.282 244 L C 0.594 177.349 176.870 -0.192 0.000 1.051 244 L CA 0.672 55.379 54.840 -0.221 0.000 0.804 244 L CB 1.211 43.120 42.059 -0.250 0.000 1.197 244 L HN 0.866 nan 8.230 nan 0.000 0.431 245 D N 1.228 121.558 120.400 -0.117 0.000 3.013 245 D HA -0.012 4.628 4.640 0.001 0.000 0.235 245 D C 1.212 177.521 176.300 0.015 0.000 1.540 245 D CA 0.379 54.353 54.000 -0.043 0.000 1.303 245 D CB 0.429 41.263 40.800 0.056 0.000 0.980 245 D HN 0.457 nan 8.370 nan 0.000 0.250 246 E N 0.121 120.352 120.200 0.051 0.000 2.204 246 E HA -0.086 4.265 4.350 0.001 0.000 0.195 246 E C 1.760 178.399 176.600 0.065 0.000 0.990 246 E CA 1.388 57.811 56.400 0.038 0.000 0.821 246 E CB -0.078 29.634 29.700 0.019 0.000 0.750 246 E HN 0.286 nan 8.360 nan 0.000 0.477 247 S N -0.719 114.970 115.700 -0.019 0.000 2.575 247 S HA 0.086 4.557 4.470 0.001 0.000 0.215 247 S C 0.528 175.074 174.600 -0.091 0.000 0.966 247 S CA -0.390 57.759 58.200 -0.084 0.000 0.911 247 S CB 0.418 63.515 63.200 -0.172 0.000 0.780 247 S HN -0.059 nan 8.310 nan 0.000 0.514 248 V N 2.136 122.008 119.914 -0.071 0.000 2.275 248 V HA 0.718 4.839 4.120 0.001 0.000 0.272 248 V C 0.564 176.645 176.094 -0.021 0.000 1.028 248 V CA -0.041 62.218 62.300 -0.068 0.000 0.810 248 V CB 0.391 32.150 31.823 -0.106 0.000 1.043 248 V HN 0.466 nan 8.190 nan 0.000 0.453 249 A N 3.698 126.517 122.820 -0.003 0.000 2.503 249 A HA 0.695 5.016 4.320 0.001 0.000 0.263 249 A C 0.619 178.216 177.584 0.022 0.000 1.258 249 A CA 0.469 52.523 52.037 0.028 0.000 0.936 249 A CB 0.203 19.236 19.000 0.055 0.000 1.070 249 A HN 0.949 nan 8.150 nan 0.000 0.522 250 S N -3.203 112.501 115.700 0.006 0.000 2.615 250 S HA 0.586 5.057 4.470 0.001 0.000 0.268 250 S C 0.758 175.361 174.600 0.004 0.000 1.146 250 S CA 0.124 58.331 58.200 0.013 0.000 0.818 250 S CB 0.767 63.976 63.200 0.015 0.000 1.111 250 S HN 1.091 nan 8.310 nan 0.000 0.465 251 A N 1.463 124.294 122.820 0.019 0.000 1.972 251 A HA 0.038 4.359 4.320 0.001 0.000 0.219 251 A C 2.211 179.805 177.584 0.017 0.000 1.169 251 A CA 2.229 54.280 52.037 0.023 0.000 0.635 251 A CB -1.418 17.608 19.000 0.043 0.000 0.810 251 A HN 1.605 nan 8.150 nan 0.000 0.446 252 S N -0.223 115.485 115.700 0.013 0.000 2.436 252 S HA -0.100 4.370 4.470 0.001 0.000 0.228 252 S C 1.317 175.909 174.600 -0.014 0.000 1.014 252 S CA 0.997 59.203 58.200 0.010 0.000 0.950 252 S CB -0.346 62.861 63.200 0.012 0.000 0.784 252 S HN 0.459 nan 8.310 nan 0.000 0.504 253 D N 2.677 123.061 120.400 -0.027 0.000 2.123 253 D HA 0.034 4.675 4.640 0.001 0.000 0.196 253 D C 2.206 178.455 176.300 -0.085 0.000 0.992 253 D CA 1.520 55.488 54.000 -0.054 0.000 0.833 253 D CB -0.584 40.185 40.800 -0.052 0.000 0.954 253 D HN 0.541 nan 8.370 nan 0.000 0.455 254 A N 0.965 123.737 122.820 -0.080 0.000 1.872 254 A HA -0.149 4.172 4.320 0.001 0.000 0.214 254 A C 2.171 179.649 177.584 -0.176 0.000 1.187 254 A CA 1.204 53.163 52.037 -0.130 0.000 0.614 254 A CB -0.364 18.577 19.000 -0.099 0.000 0.826 254 A HN 0.025 nan 8.150 nan 0.000 0.442 255 R N 0.596 121.055 120.500 -0.068 0.000 2.096 255 R HA -0.179 4.162 4.340 0.001 0.000 0.240 255 R C 1.857 178.107 176.300 -0.084 0.000 1.139 255 R CA 2.278 58.376 56.100 -0.004 0.000 0.952 255 R CB -0.483 29.888 30.300 0.117 0.000 0.854 255 R HN 0.603 nan 8.270 nan 0.000 0.436 256 K N -0.134 120.225 120.400 -0.068 0.000 2.057 256 K HA -0.035 4.286 4.320 0.001 0.000 0.206 256 K C 2.247 178.773 176.600 -0.124 0.000 1.050 256 K CA 1.271 57.518 56.287 -0.067 0.000 0.935 256 K CB -0.232 32.239 32.500 -0.048 0.000 0.715 256 K HN 0.224 nan 8.250 nan 0.000 0.439 257 A N 1.860 124.582 122.820 -0.164 0.000 1.859 257 A HA -0.199 4.122 4.320 0.001 0.000 0.217 257 A C 2.200 179.627 177.584 -0.262 0.000 1.198 257 A CA 1.610 53.531 52.037 -0.194 0.000 0.629 257 A CB -0.918 17.958 19.000 -0.207 0.000 0.830 257 A HN 0.173 nan 8.150 nan 0.000 0.446 258 L N -0.950 120.000 121.223 -0.455 0.000 2.056 258 L HA -0.149 4.192 4.340 0.001 0.000 0.207 258 L C 3.033 179.617 176.870 -0.477 0.000 1.078 258 L CA 1.059 55.495 54.840 -0.674 0.000 0.749 258 L CB -0.568 40.635 42.059 -1.427 0.000 0.901 258 L HN 0.431 nan 8.230 nan 0.000 0.433 259 A N -0.099 122.518 122.820 -0.338 0.000 1.969 259 A HA -0.085 4.236 4.320 0.001 0.000 0.218 259 A C 2.213 179.795 177.584 -0.004 0.000 1.169 259 A CA 1.169 53.224 52.037 0.031 0.000 0.635 259 A CB -0.549 18.541 19.000 0.150 0.000 0.810 259 A HN 0.384 nan 8.150 nan 0.000 0.445 260 L N -1.333 119.855 121.223 -0.057 0.000 2.478 260 L HA 0.102 4.443 4.340 0.001 0.000 0.223 260 L C 1.709 178.557 176.870 -0.037 0.000 1.140 260 L CA 0.614 55.432 54.840 -0.037 0.000 0.842 260 L CB -0.362 41.671 42.059 -0.044 0.000 0.953 260 L HN 0.595 nan 8.230 nan 0.000 0.452 261 G N -0.265 108.499 108.800 -0.061 0.000 2.147 261 G HA2 -0.332 3.629 3.960 0.001 0.000 0.244 261 G HA3 -0.332 3.629 3.960 0.001 0.000 0.244 261 G C 0.976 175.850 174.900 -0.044 0.000 1.005 261 G CA 0.429 45.501 45.100 -0.047 0.000 0.713 261 G HN 0.438 nan 8.290 nan 0.000 0.515 262 A N -0.947 121.834 122.820 -0.065 0.000 2.067 262 A HA 0.562 4.883 4.320 0.001 0.000 0.219 262 A C 1.693 179.247 177.584 -0.050 0.000 1.158 262 A CA 1.934 53.949 52.037 -0.037 0.000 0.661 262 A CB 0.073 19.032 19.000 -0.068 0.000 0.801 262 A HN 2.240 nan 8.150 nan 0.000 0.452 263 G N -4.216 104.529 108.800 -0.091 0.000 2.506 263 G HA2 0.458 4.419 3.960 0.001 0.000 0.292 263 G HA3 0.458 4.419 3.960 0.001 0.000 0.292 263 G C 0.112 174.951 174.900 -0.103 0.000 1.425 263 G CA 0.218 45.265 45.100 -0.088 0.000 0.788 263 G HN 0.704 nan 8.290 nan 0.000 0.490 264 G N -1.401 107.353 108.800 -0.078 0.000 3.342 264 G HA2 0.491 4.452 3.960 0.001 0.000 0.252 264 G HA3 0.491 4.452 3.960 0.001 0.000 0.252 264 G C -0.415 174.440 174.900 -0.076 0.000 1.011 264 G CA 0.351 45.409 45.100 -0.071 0.000 0.869 264 G HN 1.014 nan 8.290 nan 0.000 0.514 265 V N 1.119 120.975 119.914 -0.096 0.000 2.888 265 V HA 0.527 4.648 4.120 0.001 0.000 0.309 265 V C -1.024 174.943 176.094 -0.212 0.000 1.114 265 V CA -0.778 61.454 62.300 -0.114 0.000 0.940 265 V CB 2.351 34.163 31.823 -0.019 0.000 1.021 265 V HN 0.115 nan 8.190 nan 0.000 0.426 266 I N 3.155 123.541 120.570 -0.306 0.000 2.436 266 I HA 0.399 4.569 4.170 0.001 0.000 0.289 266 I C -0.320 175.406 176.117 -0.652 0.000 1.010 266 I CA -0.576 60.492 61.300 -0.386 0.000 1.098 266 I CB 1.946 39.769 38.000 -0.295 0.000 1.266 266 I HN 0.573 nan 8.210 nan 0.000 0.434 267 N N 6.977 125.234 118.700 -0.738 0.000 2.415 267 N HA 0.137 4.877 4.740 0.001 0.000 0.250 267 N C -1.218 174.035 175.510 -0.428 0.000 1.127 267 N CA -0.301 52.160 53.050 -0.982 0.000 0.945 267 N CB 0.712 38.647 38.487 -0.920 0.000 1.196 267 N HN 0.401 nan 8.380 nan 0.000 0.499 268 L N 3.694 124.739 121.223 -0.297 0.000 2.257 268 L HA 0.459 4.800 4.340 0.001 0.000 0.290 268 L C -0.593 176.306 176.870 0.049 0.000 1.044 268 L CA -0.234 54.556 54.840 -0.082 0.000 0.810 268 L CB 0.394 42.418 42.059 -0.058 0.000 1.193 268 L HN 0.336 nan 8.230 nan 0.000 0.425 269 K N 4.004 124.428 120.400 0.040 0.000 2.339 269 K HA 0.279 4.600 4.320 0.001 0.000 0.264 269 K C 0.703 177.328 176.600 0.043 0.000 0.986 269 K CA -0.399 55.922 56.287 0.057 0.000 0.866 269 K CB 2.113 34.638 32.500 0.041 0.000 1.103 269 K HN 0.511 nan 8.250 nan 0.000 0.441 270 V N 3.219 123.151 119.914 0.029 0.000 2.282 270 V HA -0.309 3.812 4.120 0.001 0.000 0.249 270 V C 1.774 177.826 176.094 -0.069 0.000 1.057 270 V CA 2.805 65.084 62.300 -0.035 0.000 1.032 270 V CB -0.184 31.561 31.823 -0.130 0.000 0.645 270 V HN 0.931 nan 8.190 nan 0.000 0.447 271 A N -0.159 122.623 122.820 -0.063 0.000 1.929 271 A HA -0.173 4.148 4.320 0.001 0.000 0.216 271 A C 2.413 180.002 177.584 0.010 0.000 1.176 271 A CA 1.635 53.642 52.037 -0.050 0.000 0.628 271 A CB -0.686 18.282 19.000 -0.053 0.000 0.816 271 A HN 0.594 nan 8.150 nan 0.000 0.444 272 R N 0.190 120.718 120.500 0.047 0.000 2.152 272 R HA -0.107 4.234 4.340 0.001 0.000 0.232 272 R C 1.723 178.065 176.300 0.069 0.000 1.117 272 R CA 1.859 58.017 56.100 0.097 0.000 0.981 272 R CB -0.261 30.135 30.300 0.160 0.000 0.870 272 R HN 0.538 nan 8.270 nan 0.000 0.451 273 V N -3.554 116.386 119.914 0.044 0.000 3.650 273 V HA 0.406 4.527 4.120 0.001 0.000 0.271 273 V C 0.891 177.003 176.094 0.031 0.000 1.281 273 V CA 0.920 63.242 62.300 0.037 0.000 1.120 273 V CB 0.654 32.495 31.823 0.031 0.000 0.856 273 V HN 0.425 nan 8.190 nan 0.000 0.443 274 G N -1.572 107.239 108.800 0.019 0.000 2.229 274 G HA2 0.342 4.303 3.960 0.001 0.000 0.189 274 G HA3 0.342 4.303 3.960 0.001 0.000 0.189 274 G C 1.089 175.988 174.900 -0.001 0.000 1.000 274 G CA 0.043 45.151 45.100 0.014 0.000 0.663 274 G HN 2.185 nan 8.290 nan 0.000 0.493 275 G N -1.381 107.398 108.800 -0.035 0.000 2.331 275 G HA2 0.206 4.167 3.960 0.001 0.000 0.479 275 G HA3 0.206 4.167 3.960 0.001 0.000 0.479 275 G C 0.231 175.089 174.900 -0.070 0.000 1.262 275 G CA 0.463 45.508 45.100 -0.091 0.000 1.029 275 G HN 0.542 nan 8.290 nan 0.000 0.487 276 H N -0.053 119.032 119.070 0.025 0.000 2.326 276 H HA 0.040 4.597 4.556 0.001 0.000 0.301 276 H C 3.134 178.411 175.328 -0.086 0.000 1.081 276 H CA 2.503 58.456 56.048 -0.160 0.000 1.334 276 H CB -0.638 28.747 29.762 -0.627 0.000 1.385 276 H HN 0.767 nan 8.280 nan 0.000 0.504 277 A N 1.246 124.216 122.820 0.250 0.000 1.859 277 A HA -0.259 4.062 4.320 0.001 0.000 0.217 277 A C 2.406 180.078 177.584 0.146 0.000 1.198 277 A CA 2.241 54.431 52.037 0.255 0.000 0.629 277 A CB -0.544 18.672 19.000 0.359 0.000 0.830 277 A HN 0.404 nan 8.150 nan 0.000 0.446 278 E N -0.002 120.273 120.200 0.126 0.000 2.110 278 E HA -0.100 4.251 4.350 0.001 0.000 0.193 278 E C 2.170 178.819 176.600 0.080 0.000 0.988 278 E CA 1.452 57.904 56.400 0.088 0.000 0.804 278 E CB -0.282 29.458 29.700 0.066 0.000 0.745 278 E HN 0.500 nan 8.360 nan 0.000 0.458 279 S N -0.044 115.705 115.700 0.081 0.000 2.370 279 S HA -0.196 4.275 4.470 0.001 0.000 0.226 279 S C 1.901 176.581 174.600 0.133 0.000 1.033 279 S CA 1.393 59.655 58.200 0.104 0.000 1.011 279 S CB -0.320 62.954 63.200 0.123 0.000 0.852 279 S HN 0.308 nan 8.310 nan 0.000 0.457 280 R N 0.983 121.543 120.500 0.099 0.000 2.092 280 R HA 0.027 4.368 4.340 0.001 0.000 0.231 280 R C 2.402 178.776 176.300 0.123 0.000 1.119 280 R CA 0.998 57.137 56.100 0.065 0.000 0.970 280 R CB -0.071 30.223 30.300 -0.009 0.000 0.864 280 R HN 0.270 nan 8.270 nan 0.000 0.440 281 R N -0.236 120.329 120.500 0.108 0.000 2.083 281 R HA -0.107 4.234 4.340 0.001 0.000 0.237 281 R C 2.297 178.656 176.300 0.099 0.000 1.137 281 R CA 1.736 57.898 56.100 0.103 0.000 0.951 281 R CB -0.403 29.947 30.300 0.084 0.000 0.851 281 R HN 0.088 nan 8.270 nan 0.000 0.434 282 V N 0.209 120.172 119.914 0.081 0.000 2.295 282 V HA -0.301 3.819 4.120 0.001 0.000 0.246 282 V C 2.202 178.316 176.094 0.033 0.000 1.049 282 V CA 2.292 64.615 62.300 0.038 0.000 1.024 282 V CB -0.673 31.155 31.823 0.008 0.000 0.648 282 V HN 0.465 nan 8.190 nan 0.000 0.447 283 H N 0.429 119.464 119.070 -0.059 0.000 2.289 283 H HA -0.237 4.320 4.556 0.002 0.000 0.294 283 H C 2.013 177.314 175.328 -0.044 0.000 1.095 283 H CA 2.402 58.382 56.048 -0.112 0.000 1.256 283 H CB -0.069 29.660 29.762 -0.054 0.000 1.359 283 H HN 0.421 nan 8.280 nan 0.000 0.487 284 D N -0.231 120.320 120.400 0.251 0.000 2.183 284 D HA -0.101 4.540 4.640 0.001 0.000 0.203 284 D C 2.447 178.796 176.300 0.081 0.000 0.969 284 D CA 0.979 55.090 54.000 0.184 0.000 0.842 284 D CB -0.191 40.728 40.800 0.198 0.000 0.957 284 D HN 0.312 nan 8.370 nan 0.000 0.484 285 V N 1.499 121.465 119.914 0.088 0.000 2.307 285 V HA -0.221 3.900 4.120 0.001 0.000 0.245 285 V C 2.548 178.760 176.094 0.196 0.000 1.045 285 V CA 1.741 64.123 62.300 0.137 0.000 1.024 285 V CB -0.754 31.148 31.823 0.132 0.000 0.651 285 V HN 0.167 nan 8.190 nan 0.000 0.449 286 A N -0.440 122.413 122.820 0.055 0.000 1.859 286 A HA -0.378 3.943 4.320 0.001 0.000 0.217 286 A C 2.204 179.802 177.584 0.023 0.000 1.198 286 A CA 2.548 54.585 52.037 0.001 0.000 0.629 286 A CB -0.764 18.145 19.000 -0.153 0.000 0.830 286 A HN 0.582 nan 8.150 nan 0.000 0.446 287 Q N 0.360 120.106 119.800 -0.091 0.000 2.152 287 Q HA -0.202 4.138 4.340 0.001 0.000 0.206 287 Q C 2.116 178.115 176.000 -0.001 0.000 0.985 287 Q CA 2.644 58.397 55.803 -0.084 0.000 0.863 287 Q CB -0.342 28.317 28.738 -0.132 0.000 0.904 287 Q HN 0.794 nan 8.270 nan 0.000 0.422 288 S N -1.318 114.397 115.700 0.025 0.000 2.474 288 S HA -0.073 4.398 4.470 0.001 0.000 0.235 288 S C 1.149 175.678 174.600 -0.118 0.000 0.997 288 S CA 0.523 58.699 58.200 -0.041 0.000 0.949 288 S CB -0.311 62.847 63.200 -0.070 0.000 0.766 288 S HN 0.438 nan 8.310 nan 0.000 0.517 289 F N 1.875 121.798 119.950 -0.045 0.000 2.765 289 F HA 0.410 4.937 4.527 0.001 0.000 0.302 289 F C 1.850 177.624 175.800 -0.043 0.000 1.111 289 F CA -0.055 57.921 58.000 -0.041 0.000 1.359 289 F CB -0.186 38.786 39.000 -0.046 0.000 1.097 289 F HN 0.348 nan 8.300 nan 0.000 0.577 290 G N 1.154 110.009 108.800 0.092 0.000 2.258 290 G HA2 -0.155 3.806 3.960 0.001 0.000 0.274 290 G HA3 -0.155 3.806 3.960 0.001 0.000 0.274 290 G C 0.172 175.095 174.900 0.037 0.000 1.021 290 G CA 0.166 45.292 45.100 0.043 0.000 0.798 290 G HN 0.657 nan 8.290 nan 0.000 0.507 291 A N 0.538 123.379 122.820 0.035 0.000 2.292 291 A HA 0.872 5.192 4.320 0.001 0.000 0.319 291 A C -1.461 176.077 177.584 -0.077 0.000 1.206 291 A CA -1.432 50.592 52.037 -0.021 0.000 0.835 291 A CB 1.716 20.684 19.000 -0.053 0.000 1.164 291 A HN 0.218 nan 8.150 nan 0.000 0.505 292 P HA 0.414 nan 4.420 nan 0.000 0.276 292 P C -0.302 176.902 177.300 -0.160 0.000 1.244 292 P CA -0.134 62.911 63.100 -0.092 0.000 0.801 292 P CB 1.342 33.044 31.700 0.003 0.000 1.006 293 V N -1.637 118.124 119.914 -0.255 0.000 3.019 293 V HA 0.783 4.903 4.120 0.001 0.000 0.317 293 V C -0.581 175.442 176.094 -0.118 0.000 1.094 293 V CA -0.930 61.163 62.300 -0.344 0.000 1.000 293 V CB 2.126 33.602 31.823 -0.580 0.000 1.060 293 V HN 0.750 nan 8.190 nan 0.000 0.443 294 W N -0.251 121.004 121.300 -0.075 0.000 2.975 294 W HA 0.690 5.351 4.660 0.001 0.000 0.342 294 W C -0.963 175.723 176.519 0.279 0.000 1.168 294 W CA -1.316 56.119 57.345 0.150 0.000 1.141 294 W CB 1.225 30.762 29.460 0.127 0.000 1.445 294 W HN 0.864 nan 8.180 nan 0.000 0.560 295 C N 2.835 122.629 119.300 0.823 0.000 2.373 295 C HA 0.669 5.129 4.460 0.001 0.000 0.354 295 C C 1.047 176.336 174.990 0.498 0.000 1.249 295 C CA 0.479 59.846 59.018 0.580 0.000 1.784 295 C CB -0.893 27.038 27.740 0.318 0.000 2.408 295 C HN 0.789 nan 8.230 nan 0.000 0.542 296 G N 4.143 113.150 108.800 0.345 0.000 2.528 296 G HA2 0.624 4.585 3.960 0.001 0.000 0.289 296 G HA3 0.624 4.585 3.960 0.001 0.000 0.289 296 G C 0.031 175.031 174.900 0.166 0.000 1.192 296 G CA 0.021 45.316 45.100 0.326 0.000 0.921 296 G HN 1.180 nan 8.290 nan 0.000 0.512 297 G N -1.212 107.654 108.800 0.109 0.000 2.489 297 G HA2 0.514 4.475 3.960 0.001 0.000 0.327 297 G HA3 0.514 4.475 3.960 0.001 0.000 0.327 297 G C -0.158 174.686 174.900 -0.093 0.000 1.189 297 G CA -0.616 44.483 45.100 -0.001 0.000 0.962 297 G HN 0.389 nan 8.290 nan 0.000 0.486 298 M N 1.324 120.846 119.600 -0.131 0.000 3.615 298 M HA 0.261 4.742 4.480 0.001 0.000 0.484 298 M C 0.374 176.587 176.300 -0.145 0.000 1.686 298 M CA -0.236 54.962 55.300 -0.170 0.000 0.713 298 M CB -0.174 32.327 32.600 -0.164 0.000 1.471 298 M HN 0.562 nan 8.290 nan 0.000 0.538 299 L N 1.230 122.309 121.223 -0.242 0.000 3.634 299 L HA -0.268 4.073 4.340 0.001 0.000 0.423 299 L C -0.125 176.732 176.870 -0.022 0.000 1.253 299 L CA 0.587 55.226 54.840 -0.335 0.000 0.885 299 L CB -0.947 40.982 42.059 -0.217 0.000 1.789 299 L HN 0.352 nan 8.230 nan 0.000 0.904 300 E N -0.406 119.787 120.200 -0.013 0.000 2.392 300 E HA 0.406 4.757 4.350 0.001 0.000 0.259 300 E C 0.668 177.448 176.600 0.300 0.000 1.108 300 E CA 0.448 56.922 56.400 0.122 0.000 0.916 300 E CB 0.662 30.396 29.700 0.056 0.000 0.989 300 E HN 0.368 nan 8.360 nan 0.000 0.432 301 S N 0.286 116.071 115.700 0.141 0.000 2.634 301 S HA 0.262 4.733 4.470 0.001 0.000 0.261 301 S C 1.498 176.138 174.600 0.066 0.000 1.271 301 S CA -0.325 57.852 58.200 -0.038 0.000 0.985 301 S CB 1.101 64.140 63.200 -0.269 0.000 0.968 301 S HN 0.610 nan 8.310 nan 0.000 0.568 302 G N 0.652 109.469 108.800 0.028 0.000 2.507 302 G HA2 -0.182 3.779 3.960 0.001 0.000 0.221 302 G HA3 -0.182 3.779 3.960 0.001 0.000 0.221 302 G C 1.271 176.221 174.900 0.083 0.000 1.119 302 G CA 1.051 46.197 45.100 0.077 0.000 0.751 302 G HN 0.637 nan 8.290 nan 0.000 0.574 303 I N 1.681 122.291 120.570 0.067 0.000 2.099 303 I HA -0.134 4.037 4.170 0.001 0.000 0.239 303 I C 3.092 179.353 176.117 0.239 0.000 1.066 303 I CA 1.685 63.063 61.300 0.130 0.000 1.324 303 I CB -1.623 36.438 38.000 0.101 0.000 1.037 303 I HN 0.243 nan 8.210 nan 0.000 0.401 304 G N 0.264 109.158 108.800 0.156 0.000 2.421 304 G HA2 -0.293 3.668 3.960 0.001 0.000 0.216 304 G HA3 -0.293 3.668 3.960 0.001 0.000 0.216 304 G C 1.909 176.907 174.900 0.163 0.000 1.171 304 G CA 0.885 46.069 45.100 0.141 0.000 0.775 304 G HN 0.300 nan 8.290 nan 0.000 0.543 305 R N 0.481 121.060 120.500 0.131 0.000 2.103 305 R HA -0.071 4.270 4.340 0.001 0.000 0.242 305 R C 2.829 179.201 176.300 0.121 0.000 1.142 305 R CA 1.656 57.825 56.100 0.115 0.000 0.960 305 R CB -0.340 30.036 30.300 0.126 0.000 0.858 305 R HN 0.326 nan 8.270 nan 0.000 0.439 306 A N -0.105 122.796 122.820 0.134 0.000 1.897 306 A HA -0.145 4.176 4.320 0.001 0.000 0.215 306 A C 1.837 179.519 177.584 0.163 0.000 1.181 306 A CA 1.258 53.371 52.037 0.126 0.000 0.620 306 A CB -0.727 18.323 19.000 0.083 0.000 0.821 306 A HN 0.444 nan 8.150 nan 0.000 0.443 307 H N 0.084 119.238 119.070 0.140 0.000 2.387 307 H HA -0.111 4.446 4.556 0.002 0.000 0.299 307 H C 1.752 177.191 175.328 0.184 0.000 1.099 307 H CA 1.681 57.843 56.048 0.190 0.000 1.315 307 H CB -0.042 29.839 29.762 0.198 0.000 1.380 307 H HN 0.435 nan 8.280 nan 0.000 0.513 308 N N 0.783 119.616 118.700 0.221 0.000 2.142 308 N HA -0.089 4.652 4.740 0.001 0.000 0.186 308 N C 2.172 177.684 175.510 0.003 0.000 1.023 308 N CA 0.643 53.756 53.050 0.105 0.000 0.852 308 N CB -0.306 38.229 38.487 0.079 0.000 0.998 308 N HN 0.360 nan 8.380 nan 0.000 0.424 309 I N 0.433 121.004 120.570 0.002 0.000 2.252 309 I HA -0.236 3.934 4.170 0.001 0.000 0.245 309 I C 2.162 178.164 176.117 -0.193 0.000 1.102 309 I CA 0.945 62.182 61.300 -0.106 0.000 1.385 309 I CB -0.287 37.647 38.000 -0.109 0.000 1.064 309 I HN 0.250 nan 8.210 nan 0.000 0.414 310 H N 0.175 119.174 119.070 -0.119 0.000 2.321 310 H HA -0.174 4.383 4.556 0.001 0.000 0.300 310 H C 2.196 177.389 175.328 -0.225 0.000 1.087 310 H CA 1.700 57.645 56.048 -0.172 0.000 1.319 310 H CB -0.200 29.439 29.762 -0.205 0.000 1.379 310 H HN 0.203 nan 8.280 nan 0.000 0.501 311 L N 1.073 122.253 121.223 -0.071 0.000 2.013 311 L HA -0.159 4.182 4.340 0.001 0.000 0.212 311 L C 2.201 178.753 176.870 -0.530 0.000 1.073 311 L CA 1.607 56.343 54.840 -0.173 0.000 0.753 311 L CB -0.738 41.333 42.059 0.019 0.000 0.890 311 L HN -0.009 nan 8.230 nan 0.000 0.432 312 S N -1.124 114.168 115.700 -0.680 0.000 2.537 312 S HA -0.144 4.326 4.470 0.001 0.000 0.240 312 S C 1.691 175.977 174.600 -0.523 0.000 0.981 312 S CA 1.155 58.745 58.200 -1.017 0.000 0.948 312 S CB -0.931 61.965 63.200 -0.507 0.000 0.759 312 S HN 0.810 nan 8.310 nan 0.000 0.531 313 T N -0.490 113.865 114.554 -0.332 0.000 3.118 313 T HA 0.168 4.519 4.350 0.001 0.000 0.260 313 T C 0.476 175.101 174.700 -0.124 0.000 1.139 313 T CA -0.043 61.941 62.100 -0.194 0.000 1.085 313 T CB -0.396 68.367 68.868 -0.175 0.000 0.934 313 T HN 0.005 nan 8.240 nan 0.000 0.518 314 L N 3.015 124.194 121.223 -0.073 0.000 2.461 314 L HA 0.264 4.605 4.340 0.001 0.000 0.272 314 L C 1.874 178.952 176.870 0.347 0.000 1.197 314 L CA 0.329 55.221 54.840 0.086 0.000 0.836 314 L CB 0.887 42.920 42.059 -0.043 0.000 1.105 314 L HN 0.334 nan 8.230 nan 0.000 0.477 315 S N 0.485 116.364 115.700 0.298 0.000 2.428 315 S HA -0.128 4.342 4.470 0.001 0.000 0.230 315 S C 1.309 176.051 174.600 0.237 0.000 1.014 315 S CA 0.994 59.319 58.200 0.210 0.000 0.957 315 S CB -0.505 62.763 63.200 0.113 0.000 0.784 315 S HN 0.765 nan 8.310 nan 0.000 0.499 316 N N -0.057 118.813 118.700 0.283 0.000 2.461 316 N HA 0.087 4.828 4.740 0.001 0.000 0.188 316 N C -0.956 174.490 175.510 -0.107 0.000 1.134 316 N CA -0.145 52.812 53.050 -0.154 0.000 0.878 316 N CB -0.029 38.021 38.487 -0.729 0.000 0.972 316 N HN 0.330 nan 8.380 nan 0.000 0.456 317 F N 1.139 121.164 119.950 0.126 0.000 2.652 317 F HA 0.223 4.751 4.527 0.002 0.000 0.352 317 F C 1.229 177.090 175.800 0.101 0.000 1.259 317 F CA -0.123 57.958 58.000 0.134 0.000 1.249 317 F CB 0.358 39.449 39.000 0.150 0.000 1.628 317 F HN -0.153 nan 8.300 nan 0.000 0.654 318 R N 1.412 122.019 120.500 0.177 0.000 2.427 318 R HA 0.349 4.690 4.340 0.001 0.000 0.262 318 R C -0.419 175.958 176.300 0.127 0.000 0.943 318 R CA 0.095 56.270 56.100 0.124 0.000 1.081 318 R CB 0.409 30.750 30.300 0.068 0.000 1.166 318 R HN 0.403 nan 8.270 nan 0.000 0.534 319 L N 0.754 122.090 121.223 0.189 0.000 2.401 319 L HA 0.495 4.836 4.340 0.001 0.000 0.266 319 L C -2.502 174.419 176.870 0.086 0.000 0.991 319 L CA -2.618 52.303 54.840 0.136 0.000 0.818 319 L CB 2.522 44.737 42.059 0.260 0.000 1.321 319 L HN -0.222 nan 8.230 nan 0.000 0.413 320 P HA 0.091 nan 4.420 nan 0.000 0.268 320 P C -0.193 177.032 177.300 -0.124 0.000 1.205 320 P CA -0.048 63.013 63.100 -0.064 0.000 0.771 320 P CB 0.676 32.318 31.700 -0.097 0.000 0.858 321 G N 1.059 109.875 108.800 0.026 0.000 2.488 321 G HA2 0.199 4.160 3.960 0.001 0.000 0.318 321 G HA3 0.199 4.160 3.960 0.001 0.000 0.318 321 G C -0.329 174.585 174.900 0.023 0.000 1.188 321 G CA -0.471 44.702 45.100 0.121 0.000 0.944 321 G HN 0.355 nan 8.290 nan 0.000 0.495 322 D N 0.632 121.092 120.400 0.099 0.000 2.881 322 D HA 0.099 4.740 4.640 0.001 0.000 0.240 322 D C 0.918 177.261 176.300 0.073 0.000 1.249 322 D CA 0.222 54.251 54.000 0.049 0.000 0.839 322 D CB 0.179 41.034 40.800 0.092 0.000 1.042 322 D HN 0.378 nan 8.370 nan 0.000 0.475 323 T N -1.776 112.826 114.554 0.080 0.000 3.368 323 T HA 0.294 4.645 4.350 0.001 0.000 0.321 323 T C 0.731 175.505 174.700 0.122 0.000 1.830 323 T CA -0.745 61.407 62.100 0.086 0.000 1.494 323 T CB 0.146 69.052 68.868 0.064 0.000 1.045 323 T HN -0.029 nan 8.240 nan 0.000 0.729 324 S N 1.627 117.432 115.700 0.174 0.000 2.640 324 S HA 0.467 4.938 4.470 0.001 0.000 0.262 324 S C 0.442 175.184 174.600 0.236 0.000 1.232 324 S CA -0.766 57.571 58.200 0.228 0.000 0.988 324 S CB 0.263 63.576 63.200 0.187 0.000 1.034 324 S HN 0.477 nan 8.310 nan 0.000 0.569 325 S N 0.871 116.685 115.700 0.190 0.000 2.544 325 S HA 0.322 4.793 4.470 0.001 0.000 0.290 325 S C 1.540 176.258 174.600 0.197 0.000 1.276 325 S CA -0.107 58.180 58.200 0.144 0.000 1.075 325 S CB 0.386 63.636 63.200 0.083 0.000 0.849 325 S HN 0.913 nan 8.310 nan 0.000 0.494 326 A N 3.828 126.792 122.820 0.241 0.000 1.940 326 A HA -0.139 4.182 4.320 0.001 0.000 0.219 326 A C 2.335 180.072 177.584 0.254 0.000 1.176 326 A CA 1.938 54.189 52.037 0.358 0.000 0.631 326 A CB -1.085 18.129 19.000 0.358 0.000 0.814 326 A HN 0.955 nan 8.150 nan 0.000 0.446 327 S N 0.057 115.836 115.700 0.132 0.000 2.440 327 S HA -0.221 4.249 4.470 0.001 0.000 0.240 327 S C 1.773 176.338 174.600 -0.058 0.000 1.014 327 S CA 1.315 59.550 58.200 0.058 0.000 0.980 327 S CB -0.556 62.662 63.200 0.030 0.000 0.775 327 S HN 0.658 nan 8.310 nan 0.000 0.499 328 R N -0.598 119.797 120.500 -0.176 0.000 2.285 328 R HA 0.047 4.387 4.340 0.001 0.000 0.213 328 R C 1.009 176.867 176.300 -0.737 0.000 1.068 328 R CA 1.372 57.182 56.100 -0.484 0.000 1.004 328 R CB -0.242 29.644 30.300 -0.691 0.000 0.873 328 R HN 0.646 nan 8.270 nan 0.000 0.467 329 Y N -2.772 117.323 120.300 -0.342 0.000 2.585 329 Y HA 0.167 4.718 4.550 0.001 0.000 0.272 329 Y C 0.126 175.568 175.900 -0.763 0.000 1.119 329 Y CA -0.631 57.021 58.100 -0.746 0.000 1.255 329 Y CB 0.651 38.369 38.460 -1.236 0.000 1.284 329 Y HN -0.058 nan 8.280 nan 0.000 0.499 330 W N 1.919 123.306 121.300 0.144 0.000 2.883 330 W HA 0.331 4.992 4.660 0.002 0.000 0.335 330 W C 0.760 177.303 176.519 0.039 0.000 1.083 330 W CA -0.920 56.479 57.345 0.090 0.000 1.233 330 W CB 1.113 30.640 29.460 0.112 0.000 1.412 330 W HN -0.174 nan 8.180 nan 0.000 0.490 331 E N 1.459 121.803 120.200 0.240 0.000 2.110 331 E HA -0.115 4.235 4.350 0.001 0.000 0.193 331 E C 0.250 176.902 176.600 0.086 0.000 0.988 331 E CA 1.035 57.507 56.400 0.119 0.000 0.804 331 E CB 0.241 29.989 29.700 0.080 0.000 0.745 331 E HN 0.516 nan 8.360 nan 0.000 0.458 332 R N 0.176 120.742 120.500 0.110 0.000 2.548 332 R HA 0.223 4.564 4.340 0.001 0.000 0.280 332 R C -1.602 174.687 176.300 -0.018 0.000 1.061 332 R CA -0.560 55.489 56.100 -0.086 0.000 0.915 332 R CB 1.556 31.594 30.300 -0.437 0.000 1.210 332 R HN -0.120 nan 8.270 nan 0.000 0.442 333 D N 2.639 123.014 120.400 -0.042 0.000 2.387 333 D HA 0.215 4.855 4.640 0.001 0.000 0.255 333 D C 1.122 177.468 176.300 0.076 0.000 1.081 333 D CA -0.533 53.452 54.000 -0.025 0.000 0.994 333 D CB 1.440 42.260 40.800 0.032 0.000 1.127 333 D HN 0.555 nan 8.370 nan 0.000 0.513 334 L N 0.947 122.179 121.223 0.015 0.000 2.478 334 L HA 0.090 4.431 4.340 0.001 0.000 0.223 334 L C 0.994 177.918 176.870 0.090 0.000 1.140 334 L CA 0.441 55.339 54.840 0.096 0.000 0.842 334 L CB -0.541 41.484 42.059 -0.057 0.000 0.953 334 L HN 0.356 nan 8.230 nan 0.000 0.452 335 I N -4.672 115.928 120.570 0.050 0.000 2.750 335 I HA 0.214 4.385 4.170 0.001 0.000 0.308 335 I C 0.712 176.849 176.117 0.034 0.000 1.016 335 I CA -0.778 60.547 61.300 0.041 0.000 1.098 335 I CB 1.370 39.389 38.000 0.032 0.000 1.279 335 I HN -0.132 nan 8.210 nan 0.000 0.454 336 Q N 0.840 120.656 119.800 0.028 0.000 2.378 336 Q HA 0.032 4.373 4.340 0.001 0.000 0.205 336 Q C -0.480 175.525 176.000 0.010 0.000 0.954 336 Q CA 0.921 56.734 55.803 0.016 0.000 0.901 336 Q CB 0.091 28.839 28.738 0.017 0.000 0.981 336 Q HN 0.635 nan 8.270 nan 0.000 0.483 337 E N 1.239 121.449 120.200 0.017 0.000 2.204 337 E HA 0.222 4.573 4.350 0.001 0.000 0.276 337 E C -2.469 174.147 176.600 0.026 0.000 0.974 337 E CA -2.348 54.063 56.400 0.017 0.000 0.815 337 E CB 0.930 30.641 29.700 0.019 0.000 1.119 337 E HN -0.064 nan 8.360 nan 0.000 0.393 338 P HA 0.200 nan 4.420 nan 0.000 0.293 338 P C -0.808 176.516 177.300 0.041 0.000 1.300 338 P CA -0.324 62.797 63.100 0.036 0.000 0.792 338 P CB 0.615 32.329 31.700 0.023 0.000 0.925 339 L N 3.679 124.941 121.223 0.065 0.000 2.353 339 L HA 0.322 4.662 4.340 0.001 0.000 0.269 339 L C 0.472 177.382 176.870 0.067 0.000 1.085 339 L CA -0.181 54.697 54.840 0.063 0.000 0.938 339 L CB 0.147 42.258 42.059 0.086 0.000 1.312 339 L HN 0.206 nan 8.230 nan 0.000 0.429 340 E N 2.352 122.575 120.200 0.038 0.000 2.176 340 E HA 0.539 4.890 4.350 0.001 0.000 0.267 340 E C -0.463 176.138 176.600 0.002 0.000 0.893 340 E CA -0.505 55.912 56.400 0.029 0.000 0.761 340 E CB 2.726 32.437 29.700 0.018 0.000 1.133 340 E HN 0.438 nan 8.360 nan 0.000 0.409 341 A N 2.478 125.296 122.820 -0.003 0.000 2.354 341 A HA 0.520 4.841 4.320 0.001 0.000 0.269 341 A C -0.229 177.297 177.584 -0.097 0.000 1.109 341 A CA -0.478 51.527 52.037 -0.053 0.000 0.800 341 A CB 0.685 19.648 19.000 -0.062 0.000 1.045 341 A HN 0.341 nan 8.150 nan 0.000 0.489 342 V N 2.389 122.236 119.914 -0.112 0.000 2.531 342 V HA 0.347 4.468 4.120 0.001 0.000 0.301 342 V C 0.059 176.065 176.094 -0.146 0.000 1.034 342 V CA 0.177 62.408 62.300 -0.114 0.000 0.865 342 V CB 1.351 33.132 31.823 -0.071 0.000 0.995 342 V HN 1.145 nan 8.190 nan 0.000 0.424 343 D N 4.089 124.383 120.400 -0.176 0.000 2.737 343 D HA -0.188 4.453 4.640 0.001 0.000 0.233 343 D C 1.229 177.400 176.300 -0.215 0.000 1.155 343 D CA 2.097 55.992 54.000 -0.175 0.000 0.667 343 D CB -0.980 39.758 40.800 -0.103 0.000 1.060 343 D HN 1.613 nan 8.370 nan 0.000 0.427 344 G N -1.325 107.266 108.800 -0.348 0.000 2.160 344 G HA2 -0.279 3.682 3.960 0.001 0.000 0.251 344 G HA3 -0.279 3.682 3.960 0.001 0.000 0.251 344 G C 0.193 175.004 174.900 -0.149 0.000 1.008 344 G CA 0.458 45.368 45.100 -0.315 0.000 0.724 344 G HN 0.582 nan 8.290 nan 0.000 0.514 345 L N -0.605 120.542 121.223 -0.127 0.000 2.362 345 L HA 0.771 5.112 4.340 0.001 0.000 0.275 345 L C 0.036 176.864 176.870 -0.069 0.000 0.998 345 L CA -1.136 53.657 54.840 -0.078 0.000 0.820 345 L CB 1.946 43.966 42.059 -0.065 0.000 1.270 345 L HN 0.174 nan 8.230 nan 0.000 0.415 346 M N 6.780 126.349 119.600 -0.052 0.000 2.167 346 M HA 0.553 5.034 4.480 0.001 0.000 0.333 346 M C -2.613 173.652 176.300 -0.057 0.000 1.030 346 M CA -2.101 53.174 55.300 -0.043 0.000 0.963 346 M CB 1.495 34.082 32.600 -0.021 0.000 1.589 346 M HN 0.054 nan 8.290 nan 0.000 0.431 347 P HA 0.166 nan 4.420 nan 0.000 0.278 347 P C -0.917 176.323 177.300 -0.099 0.000 1.238 347 P CA -0.406 62.652 63.100 -0.068 0.000 0.794 347 P CB 0.592 32.262 31.700 -0.050 0.000 0.955 348 V N 5.298 125.126 119.914 -0.143 0.000 2.446 348 V HA 0.087 4.208 4.120 0.001 0.000 0.276 348 V C -1.644 174.351 176.094 -0.165 0.000 1.030 348 V CA -1.079 61.071 62.300 -0.250 0.000 1.033 348 V CB -0.271 31.362 31.823 -0.318 0.000 0.993 348 V HN 0.587 nan 8.190 nan 0.000 0.477 349 P HA 0.077 nan 4.420 nan 0.000 0.262 349 P C -0.308 177.011 177.300 0.033 0.000 1.199 349 P CA -0.129 62.967 63.100 -0.006 0.000 0.763 349 P CB 0.344 32.075 31.700 0.052 0.000 0.790 350 Q N 2.200 122.007 119.800 0.012 0.000 2.454 350 Q HA 0.513 4.854 4.340 0.001 0.000 0.247 350 Q C 0.366 176.383 176.000 0.028 0.000 1.028 350 Q CA -0.205 55.609 55.803 0.018 0.000 0.910 350 Q CB 0.349 29.087 28.738 0.000 0.000 1.276 350 Q HN 0.757 nan 8.270 nan 0.000 0.489 351 G N 0.276 109.086 108.800 0.017 0.000 2.392 351 G HA2 0.029 3.990 3.960 0.001 0.000 0.677 351 G HA3 0.029 3.990 3.960 0.001 0.000 0.677 351 G C -3.036 171.846 174.900 -0.031 0.000 1.334 351 G CA -0.603 44.492 45.100 -0.008 0.000 0.961 351 G HN 0.729 nan 8.290 nan 0.000 0.616 352 P HA 0.494 nan 4.420 nan 0.000 0.274 352 P C 1.257 178.465 177.300 -0.153 0.000 1.231 352 P CA 1.536 64.575 63.100 -0.102 0.000 0.790 352 P CB 1.060 32.703 31.700 -0.094 0.000 0.951 353 G N 2.262 110.940 108.800 -0.205 0.000 2.583 353 G HA2 -0.354 3.607 3.960 0.001 0.000 0.292 353 G HA3 -0.354 3.607 3.960 0.001 0.000 0.292 353 G C 1.092 175.695 174.900 -0.495 0.000 1.203 353 G CA 1.129 46.066 45.100 -0.273 0.000 0.987 353 G HN 0.716 nan 8.290 nan 0.000 0.554 354 T N -0.913 113.359 114.554 -0.469 0.000 3.007 354 T HA 0.339 4.690 4.350 0.001 0.000 0.270 354 T C 2.701 177.270 174.700 -0.219 0.000 1.107 354 T CA 1.852 63.611 62.100 -0.567 0.000 1.118 354 T CB -0.404 68.199 68.868 -0.441 0.000 0.889 354 T HN 2.792 nan 8.240 nan 0.000 0.506 355 G N 0.696 109.417 108.800 -0.131 0.000 2.153 355 G HA2 -0.194 3.767 3.960 0.001 0.000 0.252 355 G HA3 -0.194 3.767 3.960 0.001 0.000 0.252 355 G C 0.189 175.094 174.900 0.009 0.000 0.994 355 G CA 0.593 45.692 45.100 -0.002 0.000 0.698 355 G HN 1.652 nan 8.290 nan 0.000 0.521 356 V N -3.740 116.164 119.914 -0.018 0.000 3.074 356 V HA 1.018 5.138 4.120 0.001 0.000 0.314 356 V C -0.171 175.919 176.094 -0.008 0.000 1.117 356 V CA -0.167 62.133 62.300 0.000 0.000 1.014 356 V CB 2.262 34.095 31.823 0.016 0.000 1.057 356 V HN 0.725 nan 8.190 nan 0.000 0.438 357 T N 2.690 117.248 114.554 0.006 0.000 2.991 357 T HA 0.565 4.916 4.350 0.001 0.000 0.303 357 T C -0.465 174.247 174.700 0.021 0.000 1.015 357 T CA -0.469 61.636 62.100 0.009 0.000 1.007 357 T CB 1.310 70.183 68.868 0.009 0.000 1.034 357 T HN 0.796 nan 8.240 nan 0.000 0.446 358 L N 2.432 123.668 121.223 0.023 0.000 2.483 358 L HA 0.172 4.512 4.340 0.001 0.000 0.276 358 L C 0.614 177.512 176.870 0.046 0.000 1.213 358 L CA -0.129 54.730 54.840 0.033 0.000 0.843 358 L CB 0.321 42.396 42.059 0.026 0.000 1.107 358 L HN 0.659 nan 8.230 nan 0.000 0.487 359 D N 2.661 123.105 120.400 0.073 0.000 2.456 359 D HA 0.082 4.723 4.640 0.001 0.000 0.219 359 D C 0.988 177.344 176.300 0.094 0.000 1.126 359 D CA -0.348 53.711 54.000 0.097 0.000 0.890 359 D CB 0.695 41.586 40.800 0.152 0.000 1.025 359 D HN 0.277 nan 8.370 nan 0.000 0.511 360 R N 2.077 122.613 120.500 0.060 0.000 2.115 360 R HA -0.089 4.252 4.340 0.001 0.000 0.230 360 R C 1.469 177.789 176.300 0.034 0.000 1.111 360 R CA 0.682 56.805 56.100 0.038 0.000 0.976 360 R CB -0.079 30.241 30.300 0.035 0.000 0.870 360 R HN 0.446 nan 8.270 nan 0.000 0.445 361 E N 0.045 120.282 120.200 0.062 0.000 2.072 361 E HA -0.089 4.262 4.350 0.001 0.000 0.190 361 E C 1.665 178.319 176.600 0.089 0.000 0.982 361 E CA 0.558 56.996 56.400 0.063 0.000 0.803 361 E CB -0.321 29.420 29.700 0.069 0.000 0.755 361 E HN 0.154 nan 8.360 nan 0.000 0.453 362 F N 1.262 121.210 119.950 -0.003 0.000 2.102 362 F HA -0.193 4.334 4.527 0.001 0.000 0.298 362 F C 2.117 177.910 175.800 -0.012 0.000 1.105 362 F CA 1.125 59.122 58.000 -0.006 0.000 1.239 362 F CB -0.750 38.244 39.000 -0.010 0.000 0.991 362 F HN 0.111 nan 8.300 nan 0.000 0.474 363 L N 1.360 122.437 121.223 -0.243 0.000 2.021 363 L HA -0.206 4.135 4.340 0.001 0.000 0.215 363 L C 2.470 179.186 176.870 -0.255 0.000 1.074 363 L CA 2.387 57.045 54.840 -0.304 0.000 0.760 363 L CB -1.622 40.368 42.059 -0.116 0.000 0.889 363 L HN 0.229 nan 8.230 nan 0.000 0.433 364 A N -1.414 121.322 122.820 -0.139 0.000 1.978 364 A HA -0.254 4.066 4.320 0.001 0.000 0.220 364 A C 2.342 179.855 177.584 -0.118 0.000 1.170 364 A CA 2.379 54.358 52.037 -0.097 0.000 0.636 364 A CB -1.405 17.569 19.000 -0.043 0.000 0.810 364 A HN 0.682 nan 8.150 nan 0.000 0.448 365 T N -2.162 112.299 114.554 -0.154 0.000 3.007 365 T HA -0.005 4.346 4.350 0.001 0.000 0.270 365 T C 1.003 175.601 174.700 -0.171 0.000 1.107 365 T CA 1.591 63.615 62.100 -0.127 0.000 1.118 365 T CB -0.528 68.302 68.868 -0.063 0.000 0.889 365 T HN 0.949 nan 8.240 nan 0.000 0.506 366 V N -2.272 117.480 119.914 -0.271 0.000 3.078 366 V HA 0.433 4.554 4.120 0.001 0.000 0.344 366 V C 0.152 176.153 176.094 -0.154 0.000 1.409 366 V CA -0.701 61.470 62.300 -0.215 0.000 1.146 366 V CB -0.344 31.288 31.823 -0.319 0.000 1.126 366 V HN 0.190 nan 8.190 nan 0.000 0.513 367 T N 2.457 116.933 114.554 -0.130 0.000 2.729 367 T HA 0.280 4.631 4.350 0.001 0.000 0.296 367 T C 1.060 175.723 174.700 -0.063 0.000 0.928 367 T CA -0.013 62.033 62.100 -0.090 0.000 1.045 367 T CB 1.231 70.054 68.868 -0.076 0.000 0.902 367 T HN 0.447 nan 8.240 nan 0.000 0.500 368 E N 1.955 122.123 120.200 -0.053 0.000 2.107 368 E HA 0.116 4.467 4.350 0.001 0.000 0.191 368 E C 0.749 177.329 176.600 -0.033 0.000 0.982 368 E CA 0.409 56.784 56.400 -0.042 0.000 0.809 368 E CB 0.234 29.912 29.700 -0.037 0.000 0.756 368 E HN 0.709 nan 8.360 nan 0.000 0.459 369 A N 0.899 123.702 122.820 -0.029 0.000 2.594 369 A HA 0.461 4.782 4.320 0.001 0.000 0.296 369 A C -1.308 176.268 177.584 -0.013 0.000 1.061 369 A CA -0.842 51.183 52.037 -0.019 0.000 0.689 369 A CB 1.431 20.424 19.000 -0.013 0.000 1.280 369 A HN 0.065 nan 8.150 nan 0.000 0.406 370 Q N 0.895 120.689 119.800 -0.011 0.000 2.456 370 Q HA 0.796 5.137 4.340 0.001 0.000 0.284 370 Q C -1.198 174.797 176.000 -0.008 0.000 1.061 370 Q CA -0.863 54.939 55.803 -0.002 0.000 0.799 370 Q CB 2.403 31.137 28.738 -0.005 0.000 1.445 370 Q HN 0.851 nan 8.270 nan 0.000 0.411 371 E N 0.423 120.622 120.200 -0.001 0.000 2.392 371 E HA 0.448 4.799 4.350 0.001 0.000 0.279 371 E C -1.575 174.984 176.600 -0.069 0.000 0.964 371 E CA -0.882 55.482 56.400 -0.060 0.000 0.777 371 E CB 2.509 32.169 29.700 -0.067 0.000 1.249 371 E HN 0.692 nan 8.360 nan 0.000 0.449 372 E N 1.849 121.945 120.200 -0.173 0.000 2.199 372 E HA 0.295 4.646 4.350 0.001 0.000 0.269 372 E C -1.196 175.233 176.600 -0.285 0.000 0.899 372 E CA -0.662 55.670 56.400 -0.114 0.000 0.772 372 E CB 1.260 30.920 29.700 -0.066 0.000 1.155 372 E HN 0.492 nan 8.360 nan 0.000 0.408 373 H N 3.495 122.588 119.070 0.040 0.000 2.524 373 H HA 0.520 5.077 4.556 0.001 0.000 0.353 373 H C -0.142 175.212 175.328 0.044 0.000 1.136 373 H CA -0.785 55.286 56.048 0.038 0.000 1.193 373 H CB 1.566 31.355 29.762 0.045 0.000 1.558 373 H HN 0.448 nan 8.280 nan 0.000 0.515 374 R N 0.650 121.233 120.500 0.139 0.000 2.950 374 R HA 0.673 5.014 4.340 0.001 0.000 0.253 374 R C -0.186 176.171 176.300 0.094 0.000 1.168 374 R CA -1.044 55.114 56.100 0.097 0.000 1.014 374 R CB 1.405 31.735 30.300 0.049 0.000 1.228 374 R HN 0.587 nan 8.270 nan 0.000 0.487 375 A N 0.000 122.862 122.820 0.070 0.000 2.254 375 A HA 0.000 4.321 4.320 0.001 0.000 0.244 375 A CA 0.000 52.072 52.037 0.058 0.000 0.836 375 A CB 0.000 19.026 19.000 0.043 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486