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 2r9x_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.545 177.584 -0.066 0.000 1.274 4 A CA 0.000 52.047 52.037 0.017 0.000 0.836 4 A CB 0.000 19.009 19.000 0.015 0.000 0.831 5 P HA 0.009 nan 4.420 nan 0.000 0.266 5 P C 0.647 177.855 177.300 -0.154 0.000 1.186 5 P CA 0.099 63.081 63.100 -0.197 0.000 0.767 5 P CB 0.549 32.041 31.700 -0.347 0.000 0.820 6 Q N 2.651 122.388 119.800 -0.104 0.000 2.084 6 Q HA -0.243 4.097 4.340 0.000 0.000 0.202 6 Q C 1.854 177.803 176.000 -0.084 0.000 0.978 6 Q CA 2.166 57.929 55.803 -0.067 0.000 0.844 6 Q CB -0.093 28.617 28.738 -0.047 0.000 0.898 6 Q HN 0.680 nan 8.270 nan 0.000 0.426 7 Q N -0.579 119.143 119.800 -0.131 0.000 2.167 7 Q HA -0.110 4.230 4.340 0.000 0.000 0.202 7 Q C 2.030 177.933 176.000 -0.163 0.000 0.970 7 Q CA 1.456 57.177 55.803 -0.136 0.000 0.855 7 Q CB -0.318 28.331 28.738 -0.150 0.000 0.911 7 Q HN 0.422 nan 8.270 nan 0.000 0.438 8 I N 1.200 121.629 120.570 -0.236 0.000 2.193 8 I HA -0.222 3.948 4.170 0.000 0.000 0.240 8 I C 2.043 178.122 176.117 -0.064 0.000 1.084 8 I CA 0.846 62.028 61.300 -0.197 0.000 1.365 8 I CB -0.470 37.345 38.000 -0.308 0.000 1.064 8 I HN 0.268 nan 8.210 nan 0.000 0.410 9 N N 0.951 119.666 118.700 0.025 0.000 2.061 9 N HA -0.266 4.474 4.740 0.000 0.000 0.193 9 N C 1.521 177.061 175.510 0.049 0.000 1.030 9 N CA 2.009 55.133 53.050 0.124 0.000 0.856 9 N CB -0.488 38.071 38.487 0.120 0.000 1.023 9 N HN 0.397 nan 8.380 nan 0.000 0.424 10 D N -0.150 120.257 120.400 0.012 0.000 2.084 10 D HA -0.094 4.546 4.640 0.000 0.000 0.194 10 D C 1.905 178.221 176.300 0.026 0.000 0.990 10 D CA 0.632 54.648 54.000 0.027 0.000 0.826 10 D CB -0.189 40.611 40.800 -0.000 0.000 0.971 10 D HN 0.133 nan 8.370 nan 0.000 0.453 11 I N -0.184 120.372 120.570 -0.024 0.000 2.394 11 I HA -0.126 4.044 4.170 0.000 0.000 0.251 11 I C 1.994 178.081 176.117 -0.050 0.000 1.136 11 I CA 0.792 62.074 61.300 -0.029 0.000 1.425 11 I CB -0.182 37.792 38.000 -0.042 0.000 1.079 11 I HN 0.005 nan 8.210 nan 0.000 0.425 12 V N 0.137 119.981 119.914 -0.117 0.000 2.307 12 V HA -0.319 3.801 4.120 0.000 0.000 0.245 12 V C 2.514 178.565 176.094 -0.071 0.000 1.045 12 V CA 2.297 64.476 62.300 -0.201 0.000 1.024 12 V CB -1.070 30.351 31.823 -0.670 0.000 0.651 12 V HN 0.571 nan 8.190 nan 0.000 0.449 13 H N 0.420 119.459 119.070 -0.052 0.000 2.319 13 H HA -0.152 4.404 4.556 -0.000 0.000 0.299 13 H C 2.450 177.776 175.328 -0.004 0.000 1.092 13 H CA 2.106 58.191 56.048 0.062 0.000 1.302 13 H CB -0.045 29.778 29.762 0.101 0.000 1.373 13 H HN 0.196 nan 8.280 nan 0.000 0.497 14 R N -1.027 119.480 120.500 0.012 0.000 2.148 14 R HA -0.043 4.297 4.340 0.000 0.000 0.227 14 R C 1.796 178.039 176.300 -0.095 0.000 1.103 14 R CA 1.703 57.782 56.100 -0.034 0.000 0.983 14 R CB 0.195 30.518 30.300 0.037 0.000 0.874 14 R HN 0.381 nan 8.270 nan 0.000 0.451 15 T N 0.102 114.597 114.554 -0.098 0.000 2.953 15 T HA 0.097 4.447 4.350 0.000 0.000 0.247 15 T C 1.574 176.174 174.700 -0.167 0.000 1.029 15 T CA 0.392 62.439 62.100 -0.089 0.000 1.144 15 T CB 0.203 69.050 68.868 -0.034 0.000 0.870 15 T HN -0.005 nan 8.240 nan 0.000 0.446 16 I N 1.990 122.406 120.570 -0.256 0.000 2.480 16 I HA -0.029 4.141 4.170 0.000 0.000 0.251 16 I C 2.554 178.307 176.117 -0.607 0.000 1.124 16 I CA 1.210 62.248 61.300 -0.437 0.000 1.444 16 I CB -1.754 35.883 38.000 -0.605 0.000 1.098 16 I HN 0.237 nan 8.210 nan 0.000 0.428 17 T N 2.303 116.490 114.554 -0.611 0.000 2.684 17 T HA -0.090 4.260 4.350 0.000 0.000 0.267 17 T C -0.266 174.205 174.700 -0.382 0.000 1.036 17 T CA 1.597 63.348 62.100 -0.581 0.000 1.148 17 T CB -1.432 67.074 68.868 -0.604 0.000 0.863 17 T HN 0.220 nan 8.240 nan 0.000 0.436 18 P HA -0.013 nan 4.420 nan 0.000 0.217 18 P C 1.671 178.854 177.300 -0.194 0.000 1.150 18 P CA 0.496 63.478 63.100 -0.197 0.000 0.832 18 P CB -0.190 31.424 31.700 -0.143 0.000 0.787 19 L N -0.529 120.560 121.223 -0.224 0.000 2.012 19 L HA -0.167 4.173 4.340 0.000 0.000 0.210 19 L C 2.209 178.903 176.870 -0.294 0.000 1.073 19 L CA 1.851 56.555 54.840 -0.226 0.000 0.748 19 L CB -1.230 40.696 42.059 -0.221 0.000 0.891 19 L HN -0.142 nan 8.230 nan 0.000 0.431 20 I N -0.423 119.933 120.570 -0.356 0.000 2.208 20 I HA -0.311 3.859 4.170 0.000 0.000 0.245 20 I C 2.517 178.496 176.117 -0.229 0.000 1.097 20 I CA 1.625 62.725 61.300 -0.333 0.000 1.363 20 I CB -0.345 37.422 38.000 -0.388 0.000 1.051 20 I HN 0.437 nan 8.210 nan 0.000 0.413 21 E N 1.210 121.289 120.200 -0.201 0.000 2.023 21 E HA -0.288 4.062 4.350 0.000 0.000 0.196 21 E C 2.143 178.675 176.600 -0.112 0.000 1.003 21 E CA 1.791 58.110 56.400 -0.135 0.000 0.809 21 E CB -0.175 29.453 29.700 -0.120 0.000 0.755 21 E HN 0.429 nan 8.360 nan 0.000 0.449 22 Q N -0.744 118.986 119.800 -0.117 0.000 2.084 22 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 22 Q C 2.090 178.042 176.000 -0.080 0.000 0.978 22 Q CA 1.622 57.374 55.803 -0.084 0.000 0.844 22 Q CB 0.033 28.726 28.738 -0.074 0.000 0.898 22 Q HN 0.307 nan 8.270 nan 0.000 0.426 23 Q N 0.076 119.800 119.800 -0.127 0.000 2.392 23 Q HA 0.078 4.418 4.340 0.000 0.000 0.203 23 Q C -0.348 175.591 176.000 -0.102 0.000 0.917 23 Q CA 0.221 55.954 55.803 -0.117 0.000 0.939 23 Q CB 0.634 29.217 28.738 -0.259 0.000 1.063 23 Q HN 0.276 nan 8.270 nan 0.000 0.516 24 K N 0.871 121.204 120.400 -0.111 0.000 3.244 24 K HA -0.168 4.152 4.320 0.000 0.000 0.270 24 K C -0.663 175.887 176.600 -0.083 0.000 1.016 24 K CA 0.188 56.425 56.287 -0.083 0.000 0.754 24 K CB -1.919 30.552 32.500 -0.048 0.000 1.326 24 K HN 0.242 nan 8.250 nan 0.000 0.465 25 I N 0.958 121.452 120.570 -0.127 0.000 2.396 25 I HA 0.047 4.217 4.170 0.000 0.000 0.289 25 I C -0.966 175.128 176.117 -0.038 0.000 1.056 25 I CA -2.197 59.049 61.300 -0.091 0.000 1.365 25 I CB 0.898 38.792 38.000 -0.178 0.000 1.407 25 I HN 0.034 nan 8.210 nan 0.000 0.509 26 P HA 0.013 nan 4.420 nan 0.000 0.217 26 P C 0.375 177.727 177.300 0.087 0.000 1.151 26 P CA 0.504 63.598 63.100 -0.010 0.000 0.828 26 P CB 0.322 31.934 31.700 -0.146 0.000 0.788 27 G N -1.195 107.714 108.800 0.181 0.000 2.733 27 G HA2 0.677 4.637 3.960 0.000 0.000 0.297 27 G HA3 0.677 4.637 3.960 0.000 0.000 0.297 27 G C -1.937 173.210 174.900 0.412 0.000 1.422 27 G CA -0.381 44.899 45.100 0.300 0.000 0.942 27 G HN 0.051 nan 8.290 nan 0.000 0.510 28 M N 1.253 121.139 119.600 0.477 0.000 2.414 28 M HA 0.716 5.196 4.480 0.000 0.000 0.287 28 M C -1.545 175.079 176.300 0.539 0.000 1.181 28 M CA -0.503 55.063 55.300 0.443 0.000 0.933 28 M CB 2.236 35.010 32.600 0.289 0.000 1.732 28 M HN 1.110 nan 8.290 nan 0.000 0.486 29 A N 3.372 126.375 122.820 0.305 0.000 2.393 29 A HA 0.875 5.195 4.320 0.000 0.000 0.306 29 A C -1.788 175.987 177.584 0.318 0.000 1.050 29 A CA -0.628 51.597 52.037 0.313 0.000 0.724 29 A CB 1.837 20.964 19.000 0.211 0.000 1.248 29 A HN 0.632 nan 8.150 nan 0.000 0.424 30 V N 0.987 121.180 119.914 0.465 0.000 2.709 30 V HA 0.794 4.914 4.120 0.000 0.000 0.308 30 V C 0.123 176.503 176.094 0.477 0.000 1.062 30 V CA -0.230 62.347 62.300 0.461 0.000 0.901 30 V CB 1.811 33.967 31.823 0.554 0.000 1.003 30 V HN 1.416 nan 8.190 nan 0.000 0.425 31 A N 4.039 127.072 122.820 0.355 0.000 2.343 31 A HA 0.881 5.201 4.320 0.000 0.000 0.316 31 A C -1.035 176.671 177.584 0.204 0.000 1.104 31 A CA -0.558 51.622 52.037 0.239 0.000 0.768 31 A CB 1.720 20.811 19.000 0.151 0.000 1.213 31 A HN 0.674 nan 8.150 nan 0.000 0.456 32 V N 4.183 124.231 119.914 0.223 0.000 2.384 32 V HA 0.318 4.438 4.120 0.000 0.000 0.287 32 V C -0.413 175.790 176.094 0.182 0.000 1.020 32 V CA -0.548 61.880 62.300 0.213 0.000 0.850 32 V CB 1.339 33.323 31.823 0.267 0.000 0.987 32 V HN 0.703 nan 8.190 nan 0.000 0.436 33 I N 5.414 126.050 120.570 0.110 0.000 2.312 33 I HA 0.331 4.501 4.170 0.000 0.000 0.291 33 I C -0.623 175.602 176.117 0.180 0.000 1.031 33 I CA -0.303 61.042 61.300 0.076 0.000 1.293 33 I CB 0.554 38.531 38.000 -0.038 0.000 1.403 33 I HN 0.672 nan 8.210 nan 0.000 0.484 34 Y N 5.860 126.240 120.300 0.134 0.000 2.338 34 Y HA 0.284 4.834 4.550 0.000 0.000 0.333 34 Y C 0.412 176.368 175.900 0.092 0.000 0.968 34 Y CA -0.649 57.518 58.100 0.112 0.000 1.123 34 Y CB 1.170 39.709 38.460 0.132 0.000 1.165 34 Y HN 0.672 nan 8.280 nan 0.000 0.452 35 Q N 4.755 124.261 119.800 -0.491 0.000 2.435 35 Q HA -0.267 4.073 4.340 0.000 0.000 0.312 35 Q C 1.150 177.062 176.000 -0.148 0.000 1.333 35 Q CA 1.223 56.819 55.803 -0.345 0.000 0.883 35 Q CB -1.434 27.081 28.738 -0.373 0.000 1.170 35 Q HN 1.359 nan 8.270 nan 0.000 0.443 36 G N -0.730 107.994 108.800 -0.127 0.000 2.257 36 G HA2 -0.373 3.587 3.960 0.000 0.000 0.267 36 G HA3 -0.373 3.587 3.960 0.000 0.000 0.267 36 G C 0.067 174.913 174.900 -0.089 0.000 0.984 36 G CA 0.918 45.953 45.100 -0.107 0.000 0.626 36 G HN 0.359 nan 8.290 nan 0.000 0.540 37 K N 1.506 121.871 120.400 -0.059 0.000 2.164 37 K HA 0.559 4.879 4.320 0.000 0.000 0.258 37 K C -2.638 173.785 176.600 -0.295 0.000 0.951 37 K CA -1.994 54.201 56.287 -0.153 0.000 0.844 37 K CB 2.672 35.086 32.500 -0.143 0.000 1.099 37 K HN 0.083 nan 8.250 nan 0.000 0.435 38 P HA 0.218 nan 4.420 nan 0.000 0.286 38 P C -1.503 175.181 177.300 -1.028 0.000 1.261 38 P CA -0.449 62.294 63.100 -0.595 0.000 0.821 38 P CB 0.618 32.002 31.700 -0.527 0.000 1.013 39 Y N 0.971 120.984 120.300 -0.477 0.000 2.406 39 Y HA 0.460 5.010 4.550 -0.000 0.000 0.340 39 Y C -0.230 175.340 175.900 -0.549 0.000 0.975 39 Y CA -0.537 57.316 58.100 -0.411 0.000 1.056 39 Y CB 1.875 40.270 38.460 -0.108 0.000 1.210 39 Y HN 0.277 nan 8.280 nan 0.000 0.448 40 Y N 2.519 122.622 120.300 -0.330 0.000 2.468 40 Y HA 0.726 5.276 4.550 0.000 0.000 0.342 40 Y C -1.043 174.386 175.900 -0.784 0.000 1.021 40 Y CA -1.582 56.331 58.100 -0.311 0.000 1.079 40 Y CB 1.560 39.921 38.460 -0.164 0.000 1.226 40 Y HN 0.391 nan 8.280 nan 0.000 0.460 41 F N 0.089 120.090 119.950 0.086 0.000 2.581 41 F HA 0.589 5.116 4.527 -0.000 0.000 0.311 41 F C -0.183 175.352 175.800 -0.442 0.000 1.113 41 F CA -0.857 56.971 58.000 -0.287 0.000 0.935 41 F CB 2.445 41.256 39.000 -0.314 0.000 1.232 41 F HN 0.288 nan 8.300 nan 0.000 0.445 42 T N 2.778 116.990 114.554 -0.571 0.000 2.912 42 T HA 0.616 4.966 4.350 0.000 0.000 0.299 42 T C -1.953 172.452 174.700 -0.492 0.000 1.052 42 T CA -0.378 61.544 62.100 -0.297 0.000 0.996 42 T CB 0.959 69.791 68.868 -0.059 0.000 1.070 42 T HN 0.549 nan 8.240 nan 0.000 0.465 43 W N 2.555 123.939 121.300 0.140 0.000 3.127 43 W HA 0.504 5.164 4.660 -0.000 0.000 0.330 43 W C 0.677 177.209 176.519 0.021 0.000 1.187 43 W CA -0.264 57.120 57.345 0.065 0.000 1.198 43 W CB 1.406 30.896 29.460 0.049 0.000 1.408 43 W HN 1.250 nan 8.180 nan 0.000 0.529 44 G N 1.360 110.224 108.800 0.106 0.000 2.553 44 G HA2 -0.292 3.668 3.960 0.000 0.000 0.242 44 G HA3 -0.292 3.668 3.960 0.000 0.000 0.242 44 G C -1.679 173.114 174.900 -0.179 0.000 1.277 44 G CA -0.450 44.571 45.100 -0.133 0.000 0.910 44 G HN 0.545 nan 8.290 nan 0.000 0.576 45 Y N 0.542 120.922 120.300 0.133 0.000 2.341 45 Y HA 0.544 5.094 4.550 0.000 0.000 0.338 45 Y C 1.400 177.392 175.900 0.153 0.000 0.965 45 Y CA -0.294 57.873 58.100 0.112 0.000 1.108 45 Y CB 1.938 40.427 38.460 0.049 0.000 1.180 45 Y HN 0.851 nan 8.280 nan 0.000 0.458 46 A N 1.529 124.546 122.820 0.328 0.000 1.969 46 A HA -0.119 4.201 4.320 0.000 0.000 0.218 46 A C 0.405 178.185 177.584 0.327 0.000 1.169 46 A CA 1.700 53.878 52.037 0.235 0.000 0.635 46 A CB -0.040 19.038 19.000 0.130 0.000 0.810 46 A HN 0.678 nan 8.150 nan 0.000 0.445 47 D N -1.500 119.091 120.400 0.317 0.000 2.602 47 D HA 0.408 5.048 4.640 0.000 0.000 0.245 47 D C 0.599 176.954 176.300 0.092 0.000 1.325 47 D CA -0.482 53.714 54.000 0.326 0.000 0.952 47 D CB 0.806 41.783 40.800 0.295 0.000 1.317 47 D HN 0.119 nan 8.370 nan 0.000 0.577 48 I N 2.303 122.910 120.570 0.062 0.000 2.163 48 I HA -0.203 3.967 4.170 0.000 0.000 0.240 48 I C 2.469 178.437 176.117 -0.248 0.000 1.081 48 I CA 1.211 62.392 61.300 -0.197 0.000 1.353 48 I CB -0.098 37.732 38.000 -0.284 0.000 1.054 48 I HN 0.474 nan 8.210 nan 0.000 0.407 49 A N 0.936 123.682 122.820 -0.124 0.000 1.883 49 A HA -0.233 4.087 4.320 0.000 0.000 0.217 49 A C 2.216 179.719 177.584 -0.134 0.000 1.186 49 A CA 1.762 53.724 52.037 -0.126 0.000 0.624 49 A CB -0.493 18.441 19.000 -0.109 0.000 0.822 49 A HN 0.369 nan 8.150 nan 0.000 0.444 50 K N -0.725 119.613 120.400 -0.103 0.000 2.459 50 K HA 0.051 4.371 4.320 0.000 0.000 0.193 50 K C -0.272 176.237 176.600 -0.151 0.000 1.030 50 K CA 0.367 56.604 56.287 -0.082 0.000 1.026 50 K CB 0.037 32.534 32.500 -0.004 0.000 0.809 50 K HN 0.431 nan 8.250 nan 0.000 0.504 51 K N 1.508 121.698 120.400 -0.351 0.000 3.077 51 K HA -0.212 4.108 4.320 0.000 0.000 0.264 51 K C -0.329 176.158 176.600 -0.188 0.000 1.008 51 K CA 0.372 56.266 56.287 -0.656 0.000 0.740 51 K CB -1.161 31.084 32.500 -0.426 0.000 1.273 51 K HN 0.163 nan 8.250 nan 0.000 0.477 52 Q N 1.105 120.887 119.800 -0.029 0.000 2.294 52 Q HA 0.199 4.539 4.340 0.000 0.000 0.257 52 Q C -2.318 173.878 176.000 0.328 0.000 0.955 52 Q CA -2.099 53.790 55.803 0.142 0.000 0.936 52 Q CB 0.950 29.757 28.738 0.116 0.000 1.188 52 Q HN 0.041 nan 8.270 nan 0.000 0.420 53 P HA 0.026 nan 4.420 nan 0.000 0.277 53 P C -0.695 176.720 177.300 0.192 0.000 1.240 53 P CA -0.331 62.931 63.100 0.271 0.000 0.798 53 P CB 0.869 32.666 31.700 0.161 0.000 0.979 54 V N 2.561 122.590 119.914 0.192 0.000 2.585 54 V HA 0.180 4.300 4.120 0.000 0.000 0.296 54 V C 1.317 177.498 176.094 0.145 0.000 1.035 54 V CA 0.863 63.288 62.300 0.208 0.000 1.084 54 V CB 0.141 32.165 31.823 0.335 0.000 0.953 54 V HN 0.888 nan 8.190 nan 0.000 0.483 55 T N 1.269 115.898 114.554 0.124 0.000 2.742 55 T HA 0.322 4.672 4.350 0.000 0.000 0.282 55 T C 0.825 175.562 174.700 0.061 0.000 1.025 55 T CA -0.185 61.950 62.100 0.058 0.000 1.020 55 T CB 1.677 70.554 68.868 0.014 0.000 1.317 55 T HN 0.622 nan 8.240 nan 0.000 0.538 56 Q N -0.191 119.587 119.800 -0.036 0.000 2.364 56 Q HA -0.169 4.171 4.340 0.000 0.000 0.209 56 Q C 1.214 177.157 176.000 -0.094 0.000 0.977 56 Q CA 1.546 57.278 55.803 -0.119 0.000 0.885 56 Q CB -0.366 28.213 28.738 -0.264 0.000 0.941 56 Q HN 0.709 nan 8.270 nan 0.000 0.464 57 Q N 0.478 120.234 119.800 -0.073 0.000 2.319 57 Q HA 0.174 4.514 4.340 0.000 0.000 0.209 57 Q C -0.237 175.743 176.000 -0.034 0.000 0.884 57 Q CA 0.327 56.057 55.803 -0.123 0.000 0.938 57 Q CB 1.233 29.874 28.738 -0.161 0.000 1.098 57 Q HN 0.190 nan 8.270 nan 0.000 0.517 58 T N 1.244 115.826 114.554 0.048 0.000 2.888 58 T HA 0.204 4.554 4.350 0.000 0.000 0.301 58 T C -0.298 174.438 174.700 0.060 0.000 1.001 58 T CA -0.077 62.040 62.100 0.028 0.000 1.147 58 T CB 0.321 69.192 68.868 0.005 0.000 0.931 58 T HN 0.008 nan 8.240 nan 0.000 0.541 59 L N 4.190 125.405 121.223 -0.013 0.000 2.276 59 L HA 0.496 4.836 4.340 0.000 0.000 0.286 59 L C -0.399 176.450 176.870 -0.034 0.000 1.061 59 L CA -0.057 54.801 54.840 0.031 0.000 0.807 59 L CB 0.350 42.364 42.059 -0.076 0.000 1.177 59 L HN 0.533 nan 8.230 nan 0.000 0.429 60 F N 0.714 120.729 119.950 0.109 0.000 2.492 60 F HA 0.396 4.923 4.527 0.000 0.000 0.327 60 F C 0.573 176.193 175.800 -0.300 0.000 1.079 60 F CA -0.928 57.105 58.000 0.056 0.000 0.967 60 F CB 1.184 40.337 39.000 0.255 0.000 1.169 60 F HN 0.406 nan 8.300 nan 0.000 0.472 61 E N 3.115 122.858 120.200 -0.761 0.000 2.265 61 E HA 0.083 4.433 4.350 0.000 0.000 0.272 61 E C 0.587 177.113 176.600 -0.124 0.000 1.067 61 E CA 0.016 56.102 56.400 -0.523 0.000 0.900 61 E CB 0.664 29.926 29.700 -0.730 0.000 1.017 61 E HN 0.637 nan 8.360 nan 0.000 0.431 62 L N 3.028 124.257 121.223 0.009 0.000 2.395 62 L HA -0.010 4.330 4.340 0.000 0.000 0.218 62 L C 1.543 178.513 176.870 0.167 0.000 1.130 62 L CA 0.575 55.490 54.840 0.124 0.000 0.826 62 L CB -0.906 41.231 42.059 0.129 0.000 0.941 62 L HN 0.911 nan 8.230 nan 0.000 0.451 63 G N 0.502 109.399 108.800 0.162 0.000 2.652 63 G HA2 -0.412 3.548 3.960 0.000 0.000 0.318 63 G HA3 -0.412 3.548 3.960 0.000 0.000 0.318 63 G C 0.919 175.970 174.900 0.251 0.000 1.295 63 G CA 0.545 45.779 45.100 0.222 0.000 0.999 63 G HN 0.253 nan 8.290 nan 0.000 0.548 64 S N -0.130 115.720 115.700 0.249 0.000 2.500 64 S HA 0.018 4.488 4.470 0.000 0.000 0.239 64 S C 2.403 177.140 174.600 0.228 0.000 0.989 64 S CA 1.288 59.653 58.200 0.274 0.000 0.951 64 S CB -0.114 63.278 63.200 0.320 0.000 0.759 64 S HN 0.706 nan 8.310 nan 0.000 0.523 65 V N 1.864 121.898 119.914 0.200 0.000 2.688 65 V HA -0.190 3.930 4.120 0.000 0.000 0.256 65 V C 2.228 178.435 176.094 0.190 0.000 1.084 65 V CA 1.603 64.001 62.300 0.163 0.000 1.103 65 V CB -0.966 30.975 31.823 0.197 0.000 0.688 65 V HN 0.467 nan 8.190 nan 0.000 0.480 66 S N -0.210 115.636 115.700 0.242 0.000 2.392 66 S HA -0.291 4.179 4.470 0.000 0.000 0.232 66 S C 1.922 176.681 174.600 0.265 0.000 1.041 66 S CA 1.624 59.998 58.200 0.290 0.000 1.026 66 S CB -0.336 62.972 63.200 0.181 0.000 0.845 66 S HN 0.654 nan 8.310 nan 0.000 0.465 67 K N 0.753 121.262 120.400 0.183 0.000 2.160 67 K HA -0.147 4.173 4.320 0.000 0.000 0.206 67 K C 2.498 179.123 176.600 0.041 0.000 1.047 67 K CA 1.678 58.050 56.287 0.141 0.000 0.930 67 K CB -0.662 31.940 32.500 0.170 0.000 0.720 67 K HN 0.679 nan 8.250 nan 0.000 0.450 68 T N -0.984 113.489 114.554 -0.135 0.000 2.821 68 T HA -0.128 4.222 4.350 0.000 0.000 0.267 68 T C 1.785 176.452 174.700 -0.054 0.000 1.046 68 T CA 0.930 62.767 62.100 -0.438 0.000 1.139 68 T CB -0.410 67.793 68.868 -1.108 0.000 0.871 68 T HN 0.048 nan 8.240 nan 0.000 0.454 69 F N 2.149 122.122 119.950 0.037 0.000 2.146 69 F HA 0.047 4.574 4.527 0.000 0.000 0.298 69 F C 3.030 178.868 175.800 0.064 0.000 1.096 69 F CA 1.334 59.312 58.000 -0.036 0.000 1.275 69 F CB -1.191 37.677 39.000 -0.219 0.000 1.008 69 F HN 0.136 nan 8.300 nan 0.000 0.480 70 T N -0.394 114.341 114.554 0.302 0.000 2.708 70 T HA -0.152 4.198 4.350 0.000 0.000 0.266 70 T C 2.403 177.280 174.700 0.294 0.000 1.037 70 T CA 1.451 63.742 62.100 0.318 0.000 1.146 70 T CB -1.130 67.925 68.868 0.312 0.000 0.865 70 T HN 0.439 nan 8.240 nan 0.000 0.435 71 G N 1.180 110.125 108.800 0.242 0.000 2.491 71 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 71 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 71 G C 1.713 176.768 174.900 0.259 0.000 1.180 71 G CA 1.076 46.317 45.100 0.235 0.000 0.774 71 G HN 0.439 nan 8.290 nan 0.000 0.562 72 V N 0.538 120.616 119.914 0.274 0.000 2.343 72 V HA -0.110 4.010 4.120 0.000 0.000 0.247 72 V C 2.700 178.913 176.094 0.198 0.000 1.051 72 V CA 1.581 64.055 62.300 0.289 0.000 1.036 72 V CB -0.387 31.711 31.823 0.458 0.000 0.654 72 V HN 0.336 nan 8.190 nan 0.000 0.451 73 L N 1.277 122.589 121.223 0.149 0.000 2.046 73 L HA -0.047 4.293 4.340 0.000 0.000 0.208 73 L C 2.340 179.222 176.870 0.020 0.000 1.077 73 L CA 2.404 57.255 54.840 0.019 0.000 0.747 73 L CB -1.240 40.755 42.059 -0.108 0.000 0.896 73 L HN 0.281 nan 8.230 nan 0.000 0.432 74 G N -1.284 107.577 108.800 0.101 0.000 2.418 74 G HA2 -0.199 3.761 3.960 0.000 0.000 0.217 74 G HA3 -0.199 3.761 3.960 0.000 0.000 0.217 74 G C 1.521 176.516 174.900 0.159 0.000 1.158 74 G CA 0.558 45.730 45.100 0.120 0.000 0.771 74 G HN 0.583 nan 8.290 nan 0.000 0.545 75 G N 0.600 109.507 108.800 0.178 0.000 2.418 75 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 75 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 75 G C 1.432 176.387 174.900 0.092 0.000 1.158 75 G CA 1.328 46.515 45.100 0.146 0.000 0.771 75 G HN 0.503 nan 8.290 nan 0.000 0.545 76 D N 0.518 120.962 120.400 0.072 0.000 2.117 76 D HA 0.019 4.659 4.640 0.000 0.000 0.197 76 D C 2.661 178.965 176.300 0.007 0.000 0.987 76 D CA 1.448 55.468 54.000 0.034 0.000 0.829 76 D CB -0.234 40.576 40.800 0.017 0.000 0.961 76 D HN 0.245 nan 8.370 nan 0.000 0.460 77 A N 0.038 122.851 122.820 -0.011 0.000 1.902 77 A HA -0.112 4.208 4.320 0.000 0.000 0.217 77 A C 2.297 179.877 177.584 -0.006 0.000 1.181 77 A CA 1.250 53.265 52.037 -0.035 0.000 0.623 77 A CB -0.818 18.126 19.000 -0.093 0.000 0.818 77 A HN 0.376 nan 8.150 nan 0.000 0.443 78 I N 0.049 120.634 120.570 0.026 0.000 2.127 78 I HA -0.323 3.847 4.170 0.000 0.000 0.241 78 I C 2.956 179.096 176.117 0.039 0.000 1.075 78 I CA 1.335 62.663 61.300 0.046 0.000 1.334 78 I CB -0.411 37.635 38.000 0.077 0.000 1.040 78 I HN 0.330 nan 8.210 nan 0.000 0.405 79 A N 0.589 123.432 122.820 0.038 0.000 1.978 79 A HA -0.208 4.112 4.320 0.000 0.000 0.220 79 A C 2.349 179.944 177.584 0.017 0.000 1.170 79 A CA 1.583 53.637 52.037 0.029 0.000 0.636 79 A CB -0.631 18.386 19.000 0.028 0.000 0.810 79 A HN 0.366 nan 8.150 nan 0.000 0.448 80 R N -1.591 118.915 120.500 0.010 0.000 2.280 80 R HA 0.119 4.459 4.340 0.000 0.000 0.207 80 R C 1.403 177.709 176.300 0.009 0.000 1.043 80 R CA 0.571 56.672 56.100 0.003 0.000 1.006 80 R CB -0.219 30.075 30.300 -0.010 0.000 0.885 80 R HN 0.728 nan 8.270 nan 0.000 0.467 81 G N 0.892 109.704 108.800 0.019 0.000 2.148 81 G HA2 -0.320 3.640 3.960 0.000 0.000 0.254 81 G HA3 -0.320 3.640 3.960 0.000 0.000 0.254 81 G C 0.543 175.466 174.900 0.037 0.000 0.981 81 G CA 0.581 45.699 45.100 0.030 0.000 0.670 81 G HN 0.448 nan 8.290 nan 0.000 0.528 82 E N -0.500 119.716 120.200 0.026 0.000 2.158 82 E HA 0.218 4.568 4.350 0.000 0.000 0.191 82 E C 1.562 178.204 176.600 0.071 0.000 0.982 82 E CA 1.178 57.598 56.400 0.032 0.000 0.823 82 E CB 0.150 29.844 29.700 -0.009 0.000 0.766 82 E HN 0.908 nan 8.360 nan 0.000 0.468 83 I N -2.708 117.885 120.570 0.039 0.000 3.074 83 I HA 0.488 4.658 4.170 0.000 0.000 0.310 83 I C -1.406 174.766 176.117 0.091 0.000 1.153 83 I CA -1.244 60.086 61.300 0.049 0.000 0.993 83 I CB 2.318 40.183 38.000 -0.225 0.000 1.237 83 I HN -0.343 nan 8.210 nan 0.000 0.443 84 K N 2.822 123.314 120.400 0.154 0.000 2.427 84 K HA 0.486 4.806 4.320 0.000 0.000 0.252 84 K C 0.033 176.708 176.600 0.125 0.000 0.931 84 K CA -0.772 55.590 56.287 0.126 0.000 0.793 84 K CB 2.982 35.558 32.500 0.127 0.000 1.211 84 K HN 0.616 nan 8.250 nan 0.000 0.426 85 L N 1.076 122.348 121.223 0.082 0.000 2.275 85 L HA -0.170 4.170 4.340 0.000 0.000 0.215 85 L C 2.069 178.960 176.870 0.035 0.000 1.119 85 L CA 1.295 56.158 54.840 0.038 0.000 0.790 85 L CB -0.288 41.742 42.059 -0.049 0.000 0.919 85 L HN 0.726 nan 8.230 nan 0.000 0.443 86 S N -2.369 113.367 115.700 0.059 0.000 2.481 86 S HA -0.042 4.428 4.470 0.000 0.000 0.231 86 S C 0.650 175.312 174.600 0.104 0.000 0.996 86 S CA -0.017 58.218 58.200 0.059 0.000 0.942 86 S CB -0.393 62.841 63.200 0.057 0.000 0.768 86 S HN 0.251 nan 8.310 nan 0.000 0.520 87 D N 4.062 124.562 120.400 0.166 0.000 2.382 87 D HA 0.283 4.923 4.640 0.000 0.000 0.245 87 D C -2.396 174.044 176.300 0.233 0.000 1.120 87 D CA -1.582 52.545 54.000 0.211 0.000 0.890 87 D CB 0.640 41.656 40.800 0.359 0.000 1.201 87 D HN 0.195 nan 8.370 nan 0.000 0.433 88 P HA 0.001 nan 4.420 nan 0.000 0.269 88 P C 0.641 178.098 177.300 0.263 0.000 1.209 88 P CA -0.134 63.092 63.100 0.210 0.000 0.776 88 P CB 0.619 32.409 31.700 0.149 0.000 0.876 89 T N 1.159 115.895 114.554 0.304 0.000 2.699 89 T HA -0.183 4.167 4.350 0.000 0.000 0.268 89 T C 1.801 176.632 174.700 0.219 0.000 1.036 89 T CA 2.655 64.935 62.100 0.299 0.000 1.147 89 T CB -1.151 67.887 68.868 0.283 0.000 0.862 89 T HN 0.671 nan 8.240 nan 0.000 0.446 90 T N 0.778 115.411 114.554 0.132 0.000 2.849 90 T HA -0.149 4.201 4.350 0.000 0.000 0.270 90 T C 1.813 176.516 174.700 0.005 0.000 1.066 90 T CA 1.494 63.619 62.100 0.043 0.000 1.130 90 T CB -0.350 68.539 68.868 0.035 0.000 0.864 90 T HN 0.438 nan 8.240 nan 0.000 0.481 91 K N 0.265 120.623 120.400 -0.070 0.000 2.103 91 K HA -0.140 4.180 4.320 0.000 0.000 0.207 91 K C 1.482 177.822 176.600 -0.434 0.000 1.048 91 K CA 1.480 57.576 56.287 -0.319 0.000 0.930 91 K CB -0.255 31.914 32.500 -0.550 0.000 0.716 91 K HN 0.593 nan 8.250 nan 0.000 0.444 92 Y N -2.503 117.832 120.300 0.058 0.000 2.462 92 Y HA 0.077 4.627 4.550 -0.000 0.000 0.261 92 Y C 0.318 176.269 175.900 0.085 0.000 1.146 92 Y CA -0.481 57.639 58.100 0.033 0.000 1.283 92 Y CB 0.500 38.953 38.460 -0.012 0.000 1.090 92 Y HN 0.142 nan 8.280 nan 0.000 0.526 93 W N 2.180 123.467 121.300 -0.022 0.000 2.162 93 W HA 0.398 5.058 4.660 -0.000 0.000 0.292 93 W C -2.576 173.885 176.519 -0.098 0.000 0.998 93 W CA -3.658 53.639 57.345 -0.079 0.000 1.570 93 W CB 0.933 30.300 29.460 -0.154 0.000 1.644 93 W HN -0.104 nan 8.180 nan 0.000 0.360 94 P HA -0.206 nan 4.420 nan 0.000 0.219 94 P C 1.030 178.289 177.300 -0.069 0.000 1.146 94 P CA 1.909 65.018 63.100 0.015 0.000 0.808 94 P CB 0.502 32.218 31.700 0.027 0.000 0.779 95 E N -1.125 119.021 120.200 -0.091 0.000 2.418 95 E HA -0.039 4.311 4.350 0.000 0.000 0.197 95 E C 0.597 176.922 176.600 -0.459 0.000 1.026 95 E CA 0.215 56.491 56.400 -0.205 0.000 0.862 95 E CB -0.655 28.991 29.700 -0.090 0.000 0.799 95 E HN 0.137 nan 8.360 nan 0.000 0.518 96 L N 1.764 122.567 121.223 -0.701 0.000 2.395 96 L HA 0.109 4.449 4.340 0.000 0.000 0.268 96 L C 0.714 177.349 176.870 -0.392 0.000 1.223 96 L CA 0.409 54.766 54.840 -0.805 0.000 1.093 96 L CB -0.182 41.168 42.059 -1.181 0.000 1.349 96 L HN 0.041 nan 8.230 nan 0.000 0.427 97 T N -0.309 114.104 114.554 -0.236 0.000 3.040 97 T HA 0.386 4.736 4.350 0.000 0.000 0.250 97 T C 0.879 175.583 174.700 0.008 0.000 1.058 97 T CA 0.222 62.270 62.100 -0.086 0.000 0.988 97 T CB 0.053 68.879 68.868 -0.070 0.000 0.993 97 T HN 0.518 nan 8.240 nan 0.000 0.519 98 A N 2.717 125.569 122.820 0.052 0.000 2.498 98 A HA 0.339 4.659 4.320 0.000 0.000 0.239 98 A C 1.645 179.349 177.584 0.200 0.000 1.068 98 A CA -0.250 51.869 52.037 0.137 0.000 0.766 98 A CB 0.320 19.437 19.000 0.194 0.000 1.003 98 A HN 0.606 nan 8.150 nan 0.000 0.497 99 K N 1.764 122.226 120.400 0.103 0.000 2.209 99 K HA -0.227 4.093 4.320 0.000 0.000 0.204 99 K C 1.425 178.060 176.600 0.059 0.000 1.048 99 K CA 1.544 57.874 56.287 0.072 0.000 0.940 99 K CB -0.121 32.392 32.500 0.022 0.000 0.729 99 K HN 0.824 nan 8.250 nan 0.000 0.451 100 Q N 0.423 120.227 119.800 0.008 0.000 2.439 100 Q HA -0.158 4.182 4.340 0.000 0.000 0.211 100 Q C 0.836 176.730 176.000 -0.177 0.000 0.978 100 Q CA 1.144 56.855 55.803 -0.152 0.000 0.897 100 Q CB -0.422 28.117 28.738 -0.332 0.000 0.956 100 Q HN 0.590 nan 8.270 nan 0.000 0.483 101 W N 1.864 123.213 121.300 0.081 0.000 3.047 101 W HA 0.141 4.801 4.660 -0.000 0.000 0.250 101 W C 0.553 177.133 176.519 0.101 0.000 1.314 101 W CA -0.313 57.104 57.345 0.120 0.000 1.540 101 W CB -0.039 29.473 29.460 0.086 0.000 1.127 101 W HN 0.141 nan 8.180 nan 0.000 0.679 102 N N 0.555 119.381 118.700 0.210 0.000 2.411 102 N HA 0.201 4.941 4.740 0.000 0.000 0.261 102 N C 1.194 176.792 175.510 0.146 0.000 1.248 102 N CA 1.980 55.123 53.050 0.156 0.000 0.885 102 N CB 0.580 39.125 38.487 0.096 0.000 1.062 102 N HN 0.226 nan 8.380 nan 0.000 0.471 103 G N 2.947 111.852 108.800 0.176 0.000 2.179 103 G HA2 -0.260 3.700 3.960 0.000 0.000 0.260 103 G HA3 -0.260 3.700 3.960 0.000 0.000 0.260 103 G C 0.172 175.248 174.900 0.292 0.000 0.977 103 G CA 0.302 45.521 45.100 0.198 0.000 0.641 103 G HN 0.600 nan 8.290 nan 0.000 0.533 104 I N 2.930 123.691 120.570 0.319 0.000 2.301 104 I HA 0.355 4.525 4.170 0.000 0.000 0.292 104 I C 1.203 177.619 176.117 0.498 0.000 1.046 104 I CA 0.166 61.734 61.300 0.446 0.000 1.282 104 I CB 0.876 39.083 38.000 0.344 0.000 1.409 104 I HN 0.296 nan 8.210 nan 0.000 0.484 105 T N 2.962 117.834 114.554 0.530 0.000 2.897 105 T HA 0.440 4.790 4.350 0.000 0.000 0.278 105 T C 1.259 176.077 174.700 0.196 0.000 0.981 105 T CA -0.875 61.368 62.100 0.238 0.000 0.973 105 T CB 1.563 70.444 68.868 0.021 0.000 1.092 105 T HN 0.410 nan 8.240 nan 0.000 0.543 106 L N 0.275 121.604 121.223 0.177 0.000 2.127 106 L HA -0.041 4.299 4.340 0.000 0.000 0.211 106 L C 2.563 179.413 176.870 -0.032 0.000 1.089 106 L CA 0.919 55.865 54.840 0.177 0.000 0.757 106 L CB -0.795 41.401 42.059 0.228 0.000 0.899 106 L HN 0.605 nan 8.230 nan 0.000 0.434 107 L N -0.232 120.918 121.223 -0.122 0.000 2.013 107 L HA -0.277 4.063 4.340 0.000 0.000 0.212 107 L C 2.403 179.197 176.870 -0.125 0.000 1.073 107 L CA 1.997 56.694 54.840 -0.238 0.000 0.753 107 L CB -0.604 41.324 42.059 -0.218 0.000 0.890 107 L HN 0.246 nan 8.230 nan 0.000 0.432 108 H N -1.249 117.871 119.070 0.083 0.000 2.321 108 H HA -0.149 4.407 4.556 0.000 0.000 0.300 108 H C 2.228 177.547 175.328 -0.016 0.000 1.087 108 H CA 1.736 57.830 56.048 0.076 0.000 1.319 108 H CB -0.163 29.672 29.762 0.121 0.000 1.379 108 H HN 0.315 nan 8.280 nan 0.000 0.501 109 L N 0.117 121.410 121.223 0.117 0.000 2.017 109 L HA -0.167 4.173 4.340 0.000 0.000 0.208 109 L C 2.872 179.652 176.870 -0.149 0.000 1.073 109 L CA 0.854 55.731 54.840 0.062 0.000 0.745 109 L CB -0.581 41.575 42.059 0.163 0.000 0.894 109 L HN 0.348 nan 8.230 nan 0.000 0.432 110 A N -0.097 122.457 122.820 -0.442 0.000 1.978 110 A HA -0.196 4.124 4.320 0.000 0.000 0.220 110 A C 2.098 179.253 177.584 -0.715 0.000 1.170 110 A CA 2.262 53.798 52.037 -0.835 0.000 0.636 110 A CB -0.765 17.344 19.000 -1.485 0.000 0.810 110 A HN 0.546 nan 8.150 nan 0.000 0.448 111 T N -6.469 107.765 114.554 -0.534 0.000 3.129 111 T HA 0.339 4.689 4.350 0.000 0.000 0.267 111 T C 0.214 174.641 174.700 -0.454 0.000 1.018 111 T CA 0.216 62.008 62.100 -0.513 0.000 0.903 111 T CB -0.505 68.371 68.868 0.014 0.000 1.067 111 T HN 0.722 nan 8.240 nan 0.000 0.549 112 Y N 0.847 121.116 120.300 -0.052 0.000 4.177 112 Y HA -0.257 4.293 4.550 0.000 0.000 0.227 112 Y C 1.214 177.072 175.900 -0.069 0.000 1.154 112 Y CA 0.509 58.581 58.100 -0.048 0.000 1.887 112 Y CB -3.173 35.261 38.460 -0.042 0.000 1.594 112 Y HN 0.608 nan 8.280 nan 0.000 0.668 113 T N -4.401 110.141 114.554 -0.020 0.000 3.174 113 T HA 0.678 5.028 4.350 0.000 0.000 0.269 113 T C 1.495 176.161 174.700 -0.057 0.000 1.017 113 T CA 0.183 62.195 62.100 -0.148 0.000 0.899 113 T CB 0.550 69.090 68.868 -0.546 0.000 1.077 113 T HN 0.507 nan 8.240 nan 0.000 0.552 114 A N 1.394 124.244 122.820 0.050 0.000 2.121 114 A HA 0.548 4.868 4.320 0.000 0.000 0.218 114 A C 1.880 179.537 177.584 0.122 0.000 1.154 114 A CA 0.644 52.701 52.037 0.033 0.000 0.679 114 A CB -0.856 18.160 19.000 0.027 0.000 0.795 114 A HN 1.498 nan 8.150 nan 0.000 0.458 115 G N -2.991 105.956 108.800 0.245 0.000 2.247 115 G HA2 0.402 4.362 3.960 0.000 0.000 0.111 115 G HA3 0.402 4.362 3.960 0.000 0.000 0.111 115 G C 0.987 176.207 174.900 0.534 0.000 1.045 115 G CA 0.329 45.671 45.100 0.405 0.000 0.715 115 G HN 2.005 nan 8.290 nan 0.000 0.485 116 G N -0.937 108.215 108.800 0.585 0.000 2.167 116 G HA2 -0.093 3.867 3.960 0.000 0.000 0.194 116 G HA3 -0.093 3.867 3.960 0.000 0.000 0.194 116 G C 0.462 175.646 174.900 0.473 0.000 1.027 116 G CA 0.001 45.388 45.100 0.478 0.000 0.717 116 G HN 1.318 nan 8.290 nan 0.000 0.501 117 L N 1.730 123.098 121.223 0.243 0.000 2.525 117 L HA 0.227 4.567 4.340 0.000 0.000 0.278 117 L C -0.818 176.128 176.870 0.127 0.000 1.218 117 L CA -1.081 53.691 54.840 -0.114 0.000 0.878 117 L CB 0.343 42.233 42.059 -0.281 0.000 1.127 117 L HN 0.122 nan 8.230 nan 0.000 0.492 118 P HA -0.016 nan 4.420 nan 0.000 0.274 118 P C 0.518 177.895 177.300 0.127 0.000 1.231 118 P CA -0.580 62.628 63.100 0.179 0.000 0.790 118 P CB 1.116 32.944 31.700 0.213 0.000 0.951 119 L N 0.782 122.073 121.223 0.113 0.000 2.021 119 L HA -0.153 4.187 4.340 0.000 0.000 0.215 119 L C 0.844 177.759 176.870 0.074 0.000 1.074 119 L CA 2.102 56.999 54.840 0.094 0.000 0.760 119 L CB -0.682 41.437 42.059 0.100 0.000 0.889 119 L HN 0.394 nan 8.230 nan 0.000 0.433 120 Q N -0.640 119.190 119.800 0.050 0.000 2.365 120 Q HA 0.369 4.709 4.340 0.000 0.000 0.269 120 Q C -0.999 174.966 176.000 -0.058 0.000 1.061 120 Q CA -0.810 55.002 55.803 0.015 0.000 0.816 120 Q CB 2.285 31.019 28.738 -0.007 0.000 1.325 120 Q HN -0.060 nan 8.270 nan 0.000 0.446 121 V N 4.162 124.011 119.914 -0.108 0.000 2.585 121 V HA 0.083 4.203 4.120 0.000 0.000 0.296 121 V C -1.973 173.934 176.094 -0.312 0.000 1.035 121 V CA -0.963 61.119 62.300 -0.363 0.000 1.084 121 V CB 0.230 31.893 31.823 -0.266 0.000 0.953 121 V HN 0.607 nan 8.190 nan 0.000 0.483 122 P HA 0.018 nan 4.420 nan 0.000 0.265 122 P C 0.382 177.591 177.300 -0.152 0.000 1.187 122 P CA 0.042 63.006 63.100 -0.227 0.000 0.766 122 P CB 0.429 31.997 31.700 -0.220 0.000 0.820 123 D N 2.118 122.472 120.400 -0.076 0.000 2.182 123 D HA -0.163 4.477 4.640 0.000 0.000 0.201 123 D C 1.093 177.374 176.300 -0.032 0.000 0.986 123 D CA 1.483 55.460 54.000 -0.038 0.000 0.847 123 D CB -0.151 40.639 40.800 -0.016 0.000 0.942 123 D HN 0.510 nan 8.370 nan 0.000 0.467 124 E N -0.004 120.173 120.200 -0.039 0.000 2.435 124 E HA 0.042 4.392 4.350 0.000 0.000 0.195 124 E C 0.228 176.816 176.600 -0.021 0.000 1.029 124 E CA -0.065 56.324 56.400 -0.019 0.000 0.865 124 E CB 0.407 30.102 29.700 -0.008 0.000 0.833 124 E HN 0.017 nan 8.360 nan 0.000 0.510 125 V N 2.000 121.880 119.914 -0.057 0.000 2.470 125 V HA 0.026 4.146 4.120 0.000 0.000 0.276 125 V C 0.937 177.020 176.094 -0.019 0.000 1.040 125 V CA 0.577 62.849 62.300 -0.046 0.000 1.008 125 V CB 1.070 32.812 31.823 -0.135 0.000 0.990 125 V HN 0.174 nan 8.190 nan 0.000 0.477 126 K N 2.323 122.729 120.400 0.009 0.000 2.625 126 K HA 0.177 4.497 4.320 0.000 0.000 0.202 126 K C 0.933 177.546 176.600 0.022 0.000 1.412 126 K CA 0.317 56.612 56.287 0.012 0.000 0.989 126 K CB 0.351 32.859 32.500 0.014 0.000 1.682 126 K HN 0.667 nan 8.250 nan 0.000 0.496 127 S N 1.071 116.792 115.700 0.035 0.000 2.645 127 S HA 0.063 4.533 4.470 0.000 0.000 0.266 127 S C 1.377 176.018 174.600 0.068 0.000 1.258 127 S CA 0.017 58.243 58.200 0.042 0.000 0.990 127 S CB 1.504 64.730 63.200 0.044 0.000 0.967 127 S HN 0.284 nan 8.310 nan 0.000 0.556 128 S N 1.571 117.308 115.700 0.063 0.000 2.370 128 S HA -0.152 4.318 4.470 0.000 0.000 0.226 128 S C 1.882 176.583 174.600 0.169 0.000 1.033 128 S CA 1.470 59.727 58.200 0.094 0.000 1.011 128 S CB -1.387 61.848 63.200 0.059 0.000 0.852 128 S HN 0.693 nan 8.310 nan 0.000 0.457 129 S N 2.200 117.978 115.700 0.131 0.000 2.368 129 S HA -0.098 4.372 4.470 0.000 0.000 0.225 129 S C 1.599 176.289 174.600 0.149 0.000 1.030 129 S CA 1.328 59.610 58.200 0.135 0.000 0.999 129 S CB -0.645 62.609 63.200 0.091 0.000 0.844 129 S HN 0.544 nan 8.310 nan 0.000 0.459 130 D N 1.157 121.635 120.400 0.129 0.000 2.123 130 D HA -0.058 4.582 4.640 0.000 0.000 0.196 130 D C 1.849 178.272 176.300 0.205 0.000 0.992 130 D CA 0.645 54.724 54.000 0.131 0.000 0.833 130 D CB -0.361 40.490 40.800 0.085 0.000 0.954 130 D HN 0.171 nan 8.370 nan 0.000 0.455 131 L N 0.504 121.877 121.223 0.250 0.000 2.056 131 L HA -0.080 4.260 4.340 0.000 0.000 0.207 131 L C 2.195 179.424 176.870 0.599 0.000 1.078 131 L CA 1.007 56.091 54.840 0.407 0.000 0.749 131 L CB -0.811 41.464 42.059 0.361 0.000 0.901 131 L HN 0.027 nan 8.230 nan 0.000 0.433 132 L N -0.471 121.066 121.223 0.523 0.000 2.012 132 L HA -0.231 4.109 4.340 0.000 0.000 0.210 132 L C 2.681 179.638 176.870 0.145 0.000 1.073 132 L CA 1.776 56.807 54.840 0.318 0.000 0.748 132 L CB -0.599 41.596 42.059 0.227 0.000 0.891 132 L HN 0.189 nan 8.230 nan 0.000 0.431 133 R N -1.700 118.901 120.500 0.168 0.000 2.083 133 R HA -0.214 4.126 4.340 0.000 0.000 0.237 133 R C 2.233 178.626 176.300 0.155 0.000 1.137 133 R CA 1.899 58.075 56.100 0.128 0.000 0.951 133 R CB -0.653 29.723 30.300 0.126 0.000 0.851 133 R HN 0.448 nan 8.270 nan 0.000 0.434 134 F N 0.274 120.263 119.950 0.065 0.000 2.069 134 F HA -0.267 4.260 4.527 0.000 0.000 0.298 134 F C 1.622 177.451 175.800 0.048 0.000 1.113 134 F CA 1.522 59.517 58.000 -0.008 0.000 1.214 134 F CB -0.637 38.269 39.000 -0.156 0.000 0.978 134 F HN -0.023 nan 8.300 nan 0.000 0.474 135 Y N 0.433 120.656 120.300 -0.127 0.000 2.293 135 Y HA -0.156 4.394 4.550 0.000 0.000 0.291 135 Y C 2.637 178.637 175.900 0.166 0.000 1.137 135 Y CA 1.477 59.525 58.100 -0.087 0.000 1.202 135 Y CB -0.867 37.568 38.460 -0.041 0.000 0.990 135 Y HN 0.148 nan 8.280 nan 0.000 0.537 136 Q N 0.077 119.958 119.800 0.134 0.000 2.167 136 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 136 Q C 1.357 177.457 176.000 0.167 0.000 0.970 136 Q CA 1.364 57.241 55.803 0.123 0.000 0.855 136 Q CB -0.485 28.246 28.738 -0.011 0.000 0.911 136 Q HN 0.663 nan 8.270 nan 0.000 0.438 137 N N -0.842 117.921 118.700 0.105 0.000 2.422 137 N HA -0.057 4.683 4.740 0.000 0.000 0.181 137 N C -0.040 175.497 175.510 0.044 0.000 1.080 137 N CA -0.362 52.724 53.050 0.061 0.000 0.893 137 N CB 0.161 38.683 38.487 0.058 0.000 0.973 137 N HN 0.164 nan 8.380 nan 0.000 0.456 138 W N 2.932 124.145 121.300 -0.145 0.000 2.251 138 W HA 0.086 4.746 4.660 -0.000 0.000 0.327 138 W C -0.644 175.777 176.519 -0.165 0.000 1.361 138 W CA -0.111 57.109 57.345 -0.208 0.000 1.234 138 W CB 0.553 29.814 29.460 -0.331 0.000 1.212 138 W HN -0.068 nan 8.180 nan 0.000 0.557 139 Q N 8.346 127.578 119.800 -0.947 0.000 2.331 139 Q HA 0.339 4.679 4.340 0.000 0.000 0.267 139 Q C -2.067 173.047 176.000 -1.477 0.000 1.006 139 Q CA -2.085 53.086 55.803 -1.052 0.000 0.818 139 Q CB 1.402 29.819 28.738 -0.535 0.000 1.276 139 Q HN 0.392 nan 8.270 nan 0.000 0.450 140 P HA 0.109 nan 4.420 nan 0.000 0.272 140 P C -0.200 176.703 177.300 -0.662 0.000 1.223 140 P CA -0.007 62.430 63.100 -1.105 0.000 0.784 140 P CB 0.894 32.121 31.700 -0.789 0.000 0.923 141 A N 2.010 124.443 122.820 -0.645 0.000 2.021 141 A HA 0.111 4.431 4.320 0.000 0.000 0.216 141 A C 0.365 177.296 177.584 -1.088 0.000 1.163 141 A CA 0.692 52.108 52.037 -1.035 0.000 0.676 141 A CB -0.232 17.721 19.000 -1.746 0.000 0.818 141 A HN 0.580 nan 8.150 nan 0.000 0.453 142 W N -2.732 118.520 121.300 -0.079 0.000 3.062 142 W HA 0.650 5.310 4.660 0.000 0.000 0.336 142 W C -0.023 176.440 176.519 -0.093 0.000 1.224 142 W CA -1.272 56.030 57.345 -0.071 0.000 1.159 142 W CB 0.959 30.392 29.460 -0.045 0.000 1.454 142 W HN 0.135 nan 8.180 nan 0.000 0.569 143 A N 2.295 125.205 122.820 0.150 0.000 2.366 143 A HA 0.561 4.881 4.320 0.000 0.000 0.249 143 A C -2.239 175.352 177.584 0.011 0.000 1.084 143 A CA -0.857 51.205 52.037 0.041 0.000 0.794 143 A CB -0.725 18.296 19.000 0.034 0.000 1.034 143 A HN 0.148 nan 8.150 nan 0.000 0.491 144 P HA 0.276 nan 4.420 nan 0.000 0.268 144 P C 0.818 177.979 177.300 -0.231 0.000 1.205 144 P CA 1.674 64.602 63.100 -0.288 0.000 0.771 144 P CB 0.518 31.964 31.700 -0.423 0.000 0.858 145 G N 1.753 110.373 108.800 -0.300 0.000 2.160 145 G HA2 -0.273 3.687 3.960 0.000 0.000 0.251 145 G HA3 -0.273 3.687 3.960 0.000 0.000 0.251 145 G C 0.681 175.534 174.900 -0.078 0.000 1.008 145 G CA 0.744 45.817 45.100 -0.045 0.000 0.724 145 G HN 0.679 nan 8.290 nan 0.000 0.514 146 T N -4.952 109.519 114.554 -0.138 0.000 2.987 146 T HA 0.438 4.788 4.350 0.000 0.000 0.248 146 T C 0.565 175.122 174.700 -0.238 0.000 0.997 146 T CA 0.803 62.836 62.100 -0.111 0.000 1.013 146 T CB 0.632 69.476 68.868 -0.041 0.000 1.077 146 T HN 0.262 nan 8.240 nan 0.000 0.483 147 Q N 1.089 120.699 119.800 -0.317 0.000 2.323 147 Q HA 0.457 4.797 4.340 0.000 0.000 0.271 147 Q C -1.340 174.458 176.000 -0.336 0.000 1.048 147 Q CA -0.443 55.082 55.803 -0.462 0.000 0.792 147 Q CB 3.072 31.213 28.738 -0.995 0.000 1.280 147 Q HN 0.395 nan 8.270 nan 0.000 0.441 148 R N 2.456 122.789 120.500 -0.278 0.000 2.221 148 R HA 0.505 4.845 4.340 0.000 0.000 0.327 148 R C -1.125 175.147 176.300 -0.047 0.000 1.033 148 R CA -0.516 55.510 56.100 -0.123 0.000 0.887 148 R CB 0.427 30.693 30.300 -0.056 0.000 1.057 148 R HN 0.432 nan 8.270 nan 0.000 0.455 149 L N 6.066 127.334 121.223 0.075 0.000 2.457 149 L HA 0.251 4.591 4.340 0.000 0.000 0.266 149 L C -1.450 175.468 176.870 0.079 0.000 0.979 149 L CA -0.715 54.195 54.840 0.116 0.000 0.857 149 L CB 1.032 43.246 42.059 0.258 0.000 1.213 149 L HN 0.602 nan 8.230 nan 0.000 0.418 150 Y N 4.614 124.797 120.300 -0.195 0.000 2.805 150 Y HA 0.362 4.912 4.550 -0.000 0.000 0.331 150 Y C 0.126 175.856 175.900 -0.282 0.000 1.241 150 Y CA 1.031 58.796 58.100 -0.559 0.000 1.546 150 Y CB 0.484 38.679 38.460 -0.440 0.000 1.248 150 Y HN 0.800 nan 8.280 nan 0.000 0.559 151 A N 5.648 128.105 122.820 -0.606 0.000 2.480 151 A HA 0.287 4.607 4.320 0.000 0.000 0.289 151 A C -0.090 177.440 177.584 -0.090 0.000 1.044 151 A CA -0.893 51.061 52.037 -0.138 0.000 0.761 151 A CB 0.706 19.742 19.000 0.060 0.000 1.289 151 A HN 0.787 nan 8.150 nan 0.000 0.401 152 N N 1.143 119.836 118.700 -0.012 0.000 2.244 152 N HA -0.141 4.599 4.740 0.000 0.000 0.183 152 N C 2.025 177.612 175.510 0.128 0.000 1.016 152 N CA 1.873 54.975 53.050 0.087 0.000 0.866 152 N CB -0.037 38.561 38.487 0.185 0.000 0.980 152 N HN 0.828 nan 8.380 nan 0.000 0.430 153 S N -1.132 114.657 115.700 0.148 0.000 2.453 153 S HA 0.034 4.504 4.470 0.000 0.000 0.231 153 S C 2.032 176.813 174.600 0.302 0.000 1.005 153 S CA 0.951 59.302 58.200 0.252 0.000 0.949 153 S CB -0.050 63.306 63.200 0.260 0.000 0.774 153 S HN 0.191 nan 8.310 nan 0.000 0.510 154 S N 1.222 117.042 115.700 0.200 0.000 2.324 154 S HA 0.238 4.708 4.470 0.000 0.000 0.210 154 S C 1.670 176.355 174.600 0.141 0.000 1.027 154 S CA 0.533 58.836 58.200 0.171 0.000 0.945 154 S CB -0.612 62.698 63.200 0.183 0.000 0.908 154 S HN 0.561 nan 8.310 nan 0.000 0.496 155 I N 1.260 121.912 120.570 0.136 0.000 2.493 155 I HA -0.017 4.153 4.170 0.000 0.000 0.254 155 I C 2.122 178.306 176.117 0.112 0.000 1.160 155 I CA 1.154 62.518 61.300 0.105 0.000 1.445 155 I CB -0.623 37.422 38.000 0.074 0.000 1.086 155 I HN 0.493 nan 8.210 nan 0.000 0.433 156 G N 1.021 109.859 108.800 0.063 0.000 2.418 156 G HA2 -0.301 3.659 3.960 0.000 0.000 0.217 156 G HA3 -0.301 3.659 3.960 0.000 0.000 0.217 156 G C 1.531 176.379 174.900 -0.088 0.000 1.158 156 G CA 0.885 45.957 45.100 -0.046 0.000 0.771 156 G HN 0.381 nan 8.290 nan 0.000 0.545 157 L N -0.225 121.000 121.223 0.003 0.000 2.056 157 L HA 0.138 4.478 4.340 0.000 0.000 0.207 157 L C 2.436 179.250 176.870 -0.094 0.000 1.078 157 L CA 1.505 56.285 54.840 -0.101 0.000 0.749 157 L CB -0.792 41.157 42.059 -0.184 0.000 0.901 157 L HN 0.230 nan 8.230 nan 0.000 0.433 158 F N 0.530 120.406 119.950 -0.124 0.000 2.091 158 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 158 F C 2.193 177.910 175.800 -0.138 0.000 1.103 158 F CA 1.910 59.837 58.000 -0.123 0.000 1.228 158 F CB -1.102 37.838 39.000 -0.099 0.000 0.984 158 F HN 0.130 nan 8.300 nan 0.000 0.477 159 G N -0.301 108.337 108.800 -0.271 0.000 2.446 159 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 159 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 159 G C 1.829 176.519 174.900 -0.350 0.000 1.168 159 G CA 1.167 46.059 45.100 -0.347 0.000 0.771 159 G HN 0.689 nan 8.290 nan 0.000 0.551 160 A N 0.458 123.038 122.820 -0.400 0.000 1.902 160 A HA 0.122 4.442 4.320 0.000 0.000 0.217 160 A C 2.441 179.843 177.584 -0.304 0.000 1.181 160 A CA 1.334 53.170 52.037 -0.335 0.000 0.623 160 A CB -0.378 18.404 19.000 -0.364 0.000 0.818 160 A HN 0.358 nan 8.150 nan 0.000 0.443 161 L N -0.946 120.069 121.223 -0.346 0.000 2.217 161 L HA -0.087 4.253 4.340 0.000 0.000 0.211 161 L C 2.970 179.593 176.870 -0.412 0.000 1.107 161 L CA 0.758 55.405 54.840 -0.322 0.000 0.783 161 L CB -0.541 41.371 42.059 -0.244 0.000 0.919 161 L HN 0.422 nan 8.230 nan 0.000 0.442 162 A N 0.339 122.832 122.820 -0.545 0.000 1.972 162 A HA -0.126 4.194 4.320 0.000 0.000 0.219 162 A C 2.111 179.491 177.584 -0.339 0.000 1.169 162 A CA 1.753 53.436 52.037 -0.590 0.000 0.635 162 A CB -0.624 17.866 19.000 -0.849 0.000 0.810 162 A HN 0.342 nan 8.150 nan 0.000 0.446 163 V N -3.772 116.004 119.914 -0.230 0.000 3.649 163 V HA 0.127 4.247 4.120 0.000 0.000 0.275 163 V C 1.557 177.580 176.094 -0.117 0.000 1.281 163 V CA 0.836 63.047 62.300 -0.148 0.000 1.143 163 V CB -0.379 31.387 31.823 -0.094 0.000 0.892 163 V HN 0.352 nan 8.190 nan 0.000 0.441 164 K N 1.329 121.655 120.400 -0.123 0.000 2.025 164 K HA -0.004 4.316 4.320 0.000 0.000 0.207 164 K C 0.026 176.612 176.600 -0.023 0.000 1.049 164 K CA 1.790 58.036 56.287 -0.069 0.000 0.933 164 K CB -1.409 31.061 32.500 -0.050 0.000 0.714 164 K HN 0.471 nan 8.250 nan 0.000 0.438 165 P HA -0.149 nan 4.420 nan 0.000 0.218 165 P C 1.415 178.710 177.300 -0.009 0.000 1.148 165 P CA 1.465 64.583 63.100 0.030 0.000 0.822 165 P CB -0.054 31.687 31.700 0.069 0.000 0.784 166 S N -1.465 114.212 115.700 -0.038 0.000 2.447 166 S HA 0.028 4.498 4.470 0.000 0.000 0.233 166 S C 1.916 176.488 174.600 -0.046 0.000 1.006 166 S CA 1.028 59.198 58.200 -0.049 0.000 0.957 166 S CB -1.563 61.592 63.200 -0.075 0.000 0.773 166 S HN 0.307 nan 8.310 nan 0.000 0.507 167 G N 0.623 109.397 108.800 -0.044 0.000 2.189 167 G HA2 -0.256 3.704 3.960 0.000 0.000 0.267 167 G HA3 -0.256 3.704 3.960 0.000 0.000 0.267 167 G C -0.010 174.858 174.900 -0.053 0.000 0.975 167 G CA 0.584 45.659 45.100 -0.042 0.000 0.644 167 G HN 0.585 nan 8.290 nan 0.000 0.537 168 L N 1.673 122.855 121.223 -0.069 0.000 2.375 168 L HA 0.555 4.895 4.340 0.000 0.000 0.271 168 L C 1.530 178.353 176.870 -0.078 0.000 1.107 168 L CA -0.212 54.580 54.840 -0.081 0.000 0.806 168 L CB 1.363 43.357 42.059 -0.109 0.000 1.146 168 L HN 0.402 nan 8.230 nan 0.000 0.447 169 S N 0.906 116.565 115.700 -0.069 0.000 2.576 169 S HA -0.035 4.435 4.470 0.000 0.000 0.272 169 S C 0.910 175.476 174.600 -0.057 0.000 1.352 169 S CA -0.277 57.896 58.200 -0.046 0.000 1.021 169 S CB 0.335 63.514 63.200 -0.037 0.000 0.887 169 S HN 0.544 nan 8.310 nan 0.000 0.542 170 F N 1.417 121.274 119.950 -0.155 0.000 2.095 170 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 170 F C 2.494 178.177 175.800 -0.195 0.000 1.104 170 F CA 2.273 60.164 58.000 -0.182 0.000 1.232 170 F CB -0.485 38.407 39.000 -0.181 0.000 0.987 170 F HN 0.948 nan 8.300 nan 0.000 0.475 171 E N -0.619 119.518 120.200 -0.106 0.000 2.077 171 E HA -0.246 4.104 4.350 0.000 0.000 0.193 171 E C 2.154 178.583 176.600 -0.285 0.000 0.989 171 E CA 1.291 57.573 56.400 -0.197 0.000 0.800 171 E CB -0.104 29.575 29.700 -0.034 0.000 0.746 171 E HN 0.387 nan 8.360 nan 0.000 0.452 172 Q N 0.023 119.701 119.800 -0.204 0.000 2.119 172 Q HA -0.073 4.267 4.340 0.000 0.000 0.201 172 Q C 2.097 177.937 176.000 -0.267 0.000 0.972 172 Q CA 1.318 57.005 55.803 -0.194 0.000 0.847 172 Q CB -0.427 28.238 28.738 -0.122 0.000 0.903 172 Q HN 0.385 nan 8.270 nan 0.000 0.433 173 A N 0.716 123.351 122.820 -0.309 0.000 1.883 173 A HA -0.228 4.092 4.320 0.000 0.000 0.217 173 A C 2.163 179.460 177.584 -0.479 0.000 1.186 173 A CA 2.030 53.859 52.037 -0.346 0.000 0.624 173 A CB -0.515 18.281 19.000 -0.341 0.000 0.822 173 A HN 0.359 nan 8.150 nan 0.000 0.444 174 M N -0.472 118.699 119.600 -0.716 0.000 2.086 174 M HA -0.166 4.314 4.480 0.000 0.000 0.261 174 M C 2.240 177.916 176.300 -1.039 0.000 1.067 174 M CA 2.350 57.079 55.300 -0.953 0.000 1.116 174 M CB -0.536 31.321 32.600 -1.238 0.000 1.348 174 M HN 0.582 nan 8.290 nan 0.000 0.407 175 Q N -1.025 118.290 119.800 -0.808 0.000 2.084 175 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 175 Q C 1.636 177.443 176.000 -0.321 0.000 0.978 175 Q CA 2.406 57.890 55.803 -0.531 0.000 0.844 175 Q CB -0.175 28.379 28.738 -0.306 0.000 0.898 175 Q HN 0.741 nan 8.270 nan 0.000 0.426 176 T N -2.955 111.432 114.554 -0.278 0.000 3.054 176 T HA 0.109 4.459 4.350 0.000 0.000 0.259 176 T C 1.589 176.196 174.700 -0.156 0.000 1.092 176 T CA 0.298 62.291 62.100 -0.178 0.000 1.121 176 T CB 0.069 68.850 68.868 -0.145 0.000 0.912 176 T HN 0.223 nan 8.240 nan 0.000 0.489 177 R N -0.089 120.289 120.500 -0.203 0.000 2.254 177 R HA 0.389 4.729 4.340 0.000 0.000 0.193 177 R C 1.464 177.703 176.300 -0.100 0.000 0.929 177 R CA 0.264 56.278 56.100 -0.142 0.000 1.038 177 R CB 0.508 30.714 30.300 -0.157 0.000 1.009 177 R HN 0.289 nan 8.270 nan 0.000 0.512 178 V N -1.021 118.801 119.914 -0.154 0.000 3.161 178 V HA 0.035 4.156 4.120 0.000 0.000 0.221 178 V C 1.396 177.556 176.094 0.110 0.000 1.296 178 V CA 0.405 62.697 62.300 -0.014 0.000 1.306 178 V CB -0.328 31.473 31.823 -0.036 0.000 1.171 178 V HN -0.028 nan 8.190 nan 0.000 0.513 179 F N 1.639 121.503 119.950 -0.143 0.000 2.075 179 F HA -0.146 4.381 4.527 0.000 0.000 0.297 179 F C 2.624 178.334 175.800 -0.150 0.000 1.113 179 F CA 1.582 59.463 58.000 -0.198 0.000 1.218 179 F CB -1.197 37.579 39.000 -0.374 0.000 0.984 179 F HN 0.204 nan 8.300 nan 0.000 0.472 180 Q N -0.293 119.527 119.800 0.034 0.000 2.046 180 Q HA -0.134 4.207 4.340 0.000 0.000 0.200 180 Q C -0.316 175.681 176.000 -0.004 0.000 0.975 180 Q CA 1.600 57.387 55.803 -0.027 0.000 0.836 180 Q CB -1.499 27.199 28.738 -0.066 0.000 0.896 180 Q HN 0.270 nan 8.270 nan 0.000 0.428 181 P HA -0.154 nan 4.420 nan 0.000 0.219 181 P C 0.667 177.994 177.300 0.045 0.000 1.146 181 P CA 1.237 64.349 63.100 0.019 0.000 0.808 181 P CB 0.035 31.748 31.700 0.022 0.000 0.779 182 L N -1.510 119.766 121.223 0.087 0.000 2.592 182 L HA 0.170 4.510 4.340 0.000 0.000 0.227 182 L C 0.395 177.313 176.870 0.080 0.000 1.127 182 L CA 0.055 54.964 54.840 0.115 0.000 0.884 182 L CB -0.604 41.594 42.059 0.233 0.000 1.065 182 L HN -0.056 nan 8.230 nan 0.000 0.457 183 K N 0.831 121.252 120.400 0.034 0.000 3.125 183 K HA -0.162 4.159 4.320 0.000 0.000 0.268 183 K C -0.285 176.305 176.600 -0.017 0.000 1.078 183 K CA 0.374 56.659 56.287 -0.004 0.000 0.775 183 K CB -1.878 30.626 32.500 0.006 0.000 1.253 183 K HN 0.327 nan 8.250 nan 0.000 0.486 184 L N 1.342 122.540 121.223 -0.042 0.000 2.387 184 L HA 0.131 4.471 4.340 0.000 0.000 0.267 184 L C 0.993 177.696 176.870 -0.277 0.000 1.197 184 L CA -0.480 54.285 54.840 -0.125 0.000 1.070 184 L CB 0.072 42.026 42.059 -0.175 0.000 1.349 184 L HN 0.145 nan 8.230 nan 0.000 0.422 185 N N 0.247 118.799 118.700 -0.245 0.000 2.461 185 N HA -0.027 4.713 4.740 0.000 0.000 0.188 185 N C 0.726 175.811 175.510 -0.708 0.000 1.134 185 N CA 0.678 53.469 53.050 -0.433 0.000 0.878 185 N CB 0.206 38.465 38.487 -0.379 0.000 0.972 185 N HN 0.494 nan 8.380 nan 0.000 0.456 186 H N -1.263 117.701 119.070 -0.175 0.000 2.637 186 H HA 0.262 4.818 4.556 0.000 0.000 0.245 186 H C -0.351 174.863 175.328 -0.189 0.000 1.190 186 H CA -0.102 55.911 56.048 -0.059 0.000 0.934 186 H CB 0.425 30.187 29.762 -0.001 0.000 1.950 186 H HN -0.123 nan 8.280 nan 0.000 0.614 187 T N 0.929 115.157 114.554 -0.543 0.000 2.797 187 T HA 0.358 4.708 4.350 0.000 0.000 0.279 187 T C -0.670 173.333 174.700 -1.161 0.000 0.991 187 T CA -0.399 61.207 62.100 -0.824 0.000 0.979 187 T CB 1.388 69.519 68.868 -1.229 0.000 0.943 187 T HN 0.216 nan 8.240 nan 0.000 0.444 188 W N 1.734 122.706 121.300 -0.546 0.000 3.256 188 W HA 0.518 5.178 4.660 0.000 0.000 0.324 188 W C 0.547 176.933 176.519 -0.223 0.000 1.196 188 W CA -0.804 56.366 57.345 -0.291 0.000 1.206 188 W CB 1.085 30.386 29.460 -0.264 0.000 1.385 188 W HN 0.503 nan 8.180 nan 0.000 0.522 189 I N 1.597 122.274 120.570 0.178 0.000 2.339 189 I HA -0.079 4.091 4.170 0.000 0.000 0.245 189 I C 0.451 176.592 176.117 0.040 0.000 1.096 189 I CA 0.954 62.303 61.300 0.080 0.000 1.408 189 I CB -0.040 38.016 38.000 0.093 0.000 1.092 189 I HN 0.271 nan 8.210 nan 0.000 0.423 190 N N 1.258 120.021 118.700 0.106 0.000 2.479 190 N HA 0.247 4.987 4.740 0.000 0.000 0.261 190 N C -0.890 174.535 175.510 -0.142 0.000 0.979 190 N CA -0.227 52.812 53.050 -0.018 0.000 0.930 190 N CB 2.460 40.941 38.487 -0.010 0.000 1.172 190 N HN -0.184 nan 8.380 nan 0.000 0.499 191 V N 4.778 124.505 119.914 -0.311 0.000 2.479 191 V HA 0.129 4.249 4.120 0.000 0.000 0.281 191 V C -1.442 174.300 176.094 -0.587 0.000 1.031 191 V CA -0.778 61.185 62.300 -0.562 0.000 1.038 191 V CB 0.366 31.823 31.823 -0.609 0.000 0.981 191 V HN 0.520 nan 8.190 nan 0.000 0.478 192 P HA 0.324 nan 4.420 nan 0.000 0.278 192 P C -2.325 174.746 177.300 -0.381 0.000 1.258 192 P CA -1.950 60.776 63.100 -0.624 0.000 0.811 192 P CB 0.634 31.831 31.700 -0.839 0.000 1.063 193 P HA -0.190 nan 4.420 nan 0.000 0.216 193 P C 1.457 178.679 177.300 -0.130 0.000 1.150 193 P CA 2.105 65.116 63.100 -0.148 0.000 0.843 193 P CB -0.553 31.085 31.700 -0.104 0.000 0.787 194 A N -0.231 122.501 122.820 -0.147 0.000 2.076 194 A HA -0.189 4.131 4.320 0.000 0.000 0.220 194 A C 1.986 179.520 177.584 -0.084 0.000 1.160 194 A CA 1.511 53.492 52.037 -0.095 0.000 0.653 194 A CB -0.724 18.231 19.000 -0.075 0.000 0.801 194 A HN 0.132 nan 8.150 nan 0.000 0.455 195 E N -0.820 119.289 120.200 -0.152 0.000 2.489 195 E HA 0.022 4.372 4.350 0.000 0.000 0.204 195 E C 1.320 177.870 176.600 -0.084 0.000 1.006 195 E CA 0.066 56.398 56.400 -0.113 0.000 0.936 195 E CB 0.041 29.627 29.700 -0.190 0.000 1.002 195 E HN 0.745 nan 8.360 nan 0.000 0.488 196 E N 1.458 121.610 120.200 -0.080 0.000 2.118 196 E HA -0.222 4.128 4.350 0.000 0.000 0.195 196 E C 1.948 178.560 176.600 0.020 0.000 0.992 196 E CA 1.458 57.852 56.400 -0.010 0.000 0.804 196 E CB -0.097 29.592 29.700 -0.017 0.000 0.741 196 E HN 0.230 nan 8.360 nan 0.000 0.458 197 K N 0.315 120.721 120.400 0.010 0.000 2.280 197 K HA -0.086 4.234 4.320 0.000 0.000 0.202 197 K C 1.264 177.882 176.600 0.030 0.000 1.047 197 K CA 1.250 57.552 56.287 0.025 0.000 0.942 197 K CB 0.065 32.577 32.500 0.019 0.000 0.739 197 K HN -0.010 nan 8.250 nan 0.000 0.457 198 N N -0.183 118.532 118.700 0.024 0.000 2.299 198 N HA -0.053 4.687 4.740 0.000 0.000 0.187 198 N C -0.709 174.830 175.510 0.048 0.000 1.099 198 N CA 0.061 53.124 53.050 0.022 0.000 0.867 198 N CB 0.188 38.675 38.487 -0.000 0.000 0.974 198 N HN 0.182 nan 8.380 nan 0.000 0.477 199 Y N 3.013 123.236 120.300 -0.129 0.000 2.539 199 Y HA 0.440 4.990 4.550 0.000 0.000 0.352 199 Y C 0.151 175.957 175.900 -0.158 0.000 1.004 199 Y CA -1.821 56.169 58.100 -0.182 0.000 1.278 199 Y CB -0.513 37.784 38.460 -0.270 0.000 1.136 199 Y HN -0.043 nan 8.280 nan 0.000 0.528 200 A N 6.013 128.869 122.820 0.059 0.000 2.466 200 A HA 0.127 4.447 4.320 0.000 0.000 0.238 200 A C -0.525 177.038 177.584 -0.034 0.000 1.074 200 A CA -0.321 51.718 52.037 0.003 0.000 0.774 200 A CB 0.084 19.023 19.000 -0.102 0.000 1.015 200 A HN 0.877 nan 8.150 nan 0.000 0.498 201 W N 0.663 121.948 121.300 -0.025 0.000 2.261 201 W HA 0.469 5.129 4.660 0.000 0.000 0.323 201 W C 0.971 177.219 176.519 -0.451 0.000 1.243 201 W CA 0.582 57.719 57.345 -0.347 0.000 1.210 201 W CB 0.918 30.031 29.460 -0.579 0.000 1.149 201 W HN 0.932 nan 8.180 nan 0.000 0.562 202 G N 1.373 109.988 108.800 -0.309 0.000 2.507 202 G HA2 0.450 4.410 3.960 0.000 0.000 0.271 202 G HA3 0.450 4.410 3.960 0.000 0.000 0.271 202 G C -2.065 172.452 174.900 -0.638 0.000 1.189 202 G CA -0.463 44.198 45.100 -0.731 0.000 0.859 202 G HN 0.437 nan 8.290 nan 0.000 0.542 203 Y N -0.307 119.902 120.300 -0.150 0.000 2.338 203 Y HA 0.501 5.051 4.550 -0.000 0.000 0.333 203 Y C 0.428 176.318 175.900 -0.017 0.000 0.968 203 Y CA -0.837 57.231 58.100 -0.053 0.000 1.123 203 Y CB 2.190 40.626 38.460 -0.040 0.000 1.165 203 Y HN 0.575 nan 8.280 nan 0.000 0.452 204 R N 2.748 123.302 120.500 0.091 0.000 2.451 204 R HA 0.394 4.734 4.340 0.000 0.000 0.307 204 R C -0.737 175.603 176.300 0.067 0.000 0.965 204 R CA -0.457 55.688 56.100 0.076 0.000 0.865 204 R CB 0.695 31.028 30.300 0.055 0.000 1.174 204 R HN 0.863 nan 8.270 nan 0.000 0.455 205 E N 3.061 123.299 120.200 0.065 0.000 2.269 205 E HA -0.258 4.092 4.350 0.000 0.000 0.223 205 E C 0.630 177.261 176.600 0.051 0.000 1.244 205 E CA 0.880 57.308 56.400 0.046 0.000 0.713 205 E CB -1.240 28.478 29.700 0.030 0.000 1.178 205 E HN 1.173 nan 8.360 nan 0.000 0.370 206 G N -0.181 108.670 108.800 0.085 0.000 2.196 206 G HA2 -0.404 3.556 3.960 0.000 0.000 0.268 206 G HA3 -0.404 3.556 3.960 0.000 0.000 0.268 206 G C 0.185 175.173 174.900 0.147 0.000 0.975 206 G CA 0.951 46.112 45.100 0.101 0.000 0.648 206 G HN 0.299 nan 8.290 nan 0.000 0.538 207 K N 0.667 121.124 120.400 0.095 0.000 2.185 207 K HA 0.652 4.972 4.320 0.000 0.000 0.269 207 K C 0.483 177.004 176.600 -0.132 0.000 0.987 207 K CA -0.033 56.249 56.287 -0.008 0.000 0.865 207 K CB 1.706 34.182 32.500 -0.040 0.000 1.090 207 K HN 0.415 nan 8.250 nan 0.000 0.450 208 A N 2.826 125.443 122.820 -0.338 0.000 2.491 208 A HA 0.313 4.633 4.320 0.000 0.000 0.261 208 A C 0.074 177.407 177.584 -0.419 0.000 1.101 208 A CA -0.348 51.247 52.037 -0.737 0.000 0.772 208 A CB -0.315 18.037 19.000 -1.081 0.000 1.043 208 A HN 0.523 nan 8.150 nan 0.000 0.501 209 V N 1.128 120.941 119.914 -0.170 0.000 3.007 209 V HA 0.730 4.850 4.120 0.000 0.000 0.311 209 V C -0.615 175.589 176.094 0.183 0.000 1.120 209 V CA -0.853 61.485 62.300 0.063 0.000 0.980 209 V CB 1.357 33.210 31.823 0.049 0.000 1.033 209 V HN 0.944 nan 8.190 nan 0.000 0.429 210 H N 0.302 119.525 119.070 0.254 0.000 2.797 210 H HA 0.686 5.242 4.556 0.000 0.000 0.372 210 H C -0.581 174.850 175.328 0.172 0.000 1.168 210 H CA -0.948 55.189 56.048 0.149 0.000 1.163 210 H CB 2.293 32.016 29.762 -0.065 0.000 1.778 210 H HN 0.801 nan 8.280 nan 0.000 0.551 211 V N 2.593 122.702 119.914 0.325 0.000 2.763 211 V HA 0.040 4.160 4.120 0.000 0.000 0.306 211 V C 0.034 176.251 176.094 0.205 0.000 1.059 211 V CA 0.158 62.601 62.300 0.239 0.000 1.138 211 V CB 0.674 32.639 31.823 0.237 0.000 0.940 211 V HN 0.858 nan 8.190 nan 0.000 0.489 212 S N 6.930 122.734 115.700 0.173 0.000 2.610 212 S HA 0.644 5.114 4.470 0.000 0.000 0.273 212 S C -2.490 172.201 174.600 0.153 0.000 1.274 212 S CA -1.195 57.091 58.200 0.143 0.000 1.023 212 S CB 0.985 64.250 63.200 0.109 0.000 0.962 212 S HN 0.767 nan 8.310 nan 0.000 0.523 213 P HA 0.521 nan 4.420 nan 0.000 0.269 213 P C -0.046 177.316 177.300 0.104 0.000 1.215 213 P CA -0.091 63.063 63.100 0.090 0.000 0.780 213 P CB 0.348 32.080 31.700 0.054 0.000 0.898 214 G N -0.295 108.559 108.800 0.091 0.000 2.703 214 G HA2 0.549 4.509 3.960 0.000 0.000 0.294 214 G HA3 0.549 4.509 3.960 0.000 0.000 0.294 214 G C -1.390 173.524 174.900 0.024 0.000 1.451 214 G CA -0.510 44.651 45.100 0.102 0.000 0.869 214 G HN 0.533 nan 8.290 nan 0.000 0.516 215 A N 0.707 123.533 122.820 0.009 0.000 2.520 215 A HA 0.540 4.860 4.320 0.000 0.000 0.245 215 A C 1.372 178.924 177.584 -0.054 0.000 1.072 215 A CA 0.491 52.513 52.037 -0.024 0.000 0.761 215 A CB -0.402 18.586 19.000 -0.021 0.000 1.004 215 A HN 1.766 nan 8.150 nan 0.000 0.499 216 L N 0.576 121.729 121.223 -0.116 0.000 4.040 216 L HA -0.311 4.029 4.340 0.000 0.000 0.410 216 L C 1.144 177.807 176.870 -0.345 0.000 1.187 216 L CA 0.610 55.329 54.840 -0.201 0.000 0.956 216 L CB -1.777 40.221 42.059 -0.102 0.000 2.022 216 L HN 1.009 nan 8.230 nan 0.000 0.897 217 D N 0.196 120.346 120.400 -0.417 0.000 2.097 217 D HA -0.129 4.511 4.640 0.000 0.000 0.197 217 D C 1.975 177.838 176.300 -0.728 0.000 0.984 217 D CA 1.390 54.857 54.000 -0.888 0.000 0.826 217 D CB -0.148 40.322 40.800 -0.551 0.000 0.973 217 D HN 0.417 nan 8.370 nan 0.000 0.460 218 A N 0.903 123.489 122.820 -0.390 0.000 1.917 218 A HA -0.254 4.066 4.320 0.000 0.000 0.219 218 A C 2.139 179.580 177.584 -0.240 0.000 1.182 218 A CA 2.165 54.081 52.037 -0.202 0.000 0.633 218 A CB -0.760 18.222 19.000 -0.030 0.000 0.819 218 A HN 0.233 nan 8.150 nan 0.000 0.448 219 E N -0.415 119.434 120.200 -0.585 0.000 2.106 219 E HA 0.082 4.432 4.350 0.000 0.000 0.192 219 E C 2.014 178.474 176.600 -0.232 0.000 0.984 219 E CA 1.368 57.354 56.400 -0.690 0.000 0.806 219 E CB -0.267 28.934 29.700 -0.831 0.000 0.750 219 E HN 0.609 nan 8.360 nan 0.000 0.458 220 A N -0.529 122.155 122.820 -0.226 0.000 2.035 220 A HA 0.103 4.423 4.320 0.000 0.000 0.208 220 A C 0.794 178.465 177.584 0.146 0.000 1.206 220 A CA 0.650 52.683 52.037 -0.007 0.000 0.773 220 A CB 0.026 19.082 19.000 0.094 0.000 0.878 220 A HN 0.415 nan 8.150 nan 0.000 0.469 221 Y N -4.482 115.849 120.300 0.052 0.000 3.075 221 Y HA 0.463 5.013 4.550 0.000 0.000 0.270 221 Y C 0.735 176.664 175.900 0.049 0.000 1.071 221 Y CA -0.409 57.734 58.100 0.072 0.000 1.269 221 Y CB -0.375 38.134 38.460 0.081 0.000 1.291 221 Y HN -0.001 nan 8.280 nan 0.000 0.613 222 G N 0.751 109.517 108.800 -0.055 0.000 3.393 222 G HA2 0.406 4.366 3.960 0.000 0.000 0.255 222 G HA3 0.406 4.366 3.960 0.000 0.000 0.255 222 G C -0.431 174.448 174.900 -0.034 0.000 1.097 222 G CA -0.022 45.046 45.100 -0.052 0.000 0.780 222 G HN 0.101 nan 8.290 nan 0.000 0.540 223 V N 0.808 120.702 119.914 -0.034 0.000 2.546 223 V HA 0.387 4.507 4.120 0.000 0.000 0.284 223 V C -0.261 175.736 176.094 -0.161 0.000 1.050 223 V CA -0.458 61.762 62.300 -0.133 0.000 0.981 223 V CB 1.348 33.006 31.823 -0.275 0.000 0.990 223 V HN 0.147 nan 8.190 nan 0.000 0.474 224 K N 2.631 122.894 120.400 -0.227 0.000 2.207 224 K HA 0.802 5.122 4.320 0.000 0.000 0.255 224 K C -0.422 176.042 176.600 -0.227 0.000 0.941 224 K CA -0.208 55.934 56.287 -0.242 0.000 0.825 224 K CB 1.934 34.181 32.500 -0.422 0.000 1.119 224 K HN 0.696 nan 8.250 nan 0.000 0.430 225 S N 0.060 115.700 115.700 -0.100 0.000 2.615 225 S HA 0.601 5.071 4.470 0.000 0.000 0.269 225 S C -1.197 173.477 174.600 0.124 0.000 1.161 225 S CA -0.732 57.428 58.200 -0.067 0.000 0.817 225 S CB 0.952 64.071 63.200 -0.135 0.000 1.131 225 S HN 0.700 nan 8.310 nan 0.000 0.467 226 T N 0.217 114.843 114.554 0.120 0.000 2.936 226 T HA 0.533 4.883 4.350 0.000 0.000 0.282 226 T C 1.261 176.079 174.700 0.196 0.000 1.003 226 T CA -0.552 61.666 62.100 0.196 0.000 1.005 226 T CB 0.779 69.703 68.868 0.094 0.000 1.097 226 T HN 0.420 nan 8.240 nan 0.000 0.532 227 I N 0.749 121.445 120.570 0.210 0.000 2.361 227 I HA -0.050 4.120 4.170 0.000 0.000 0.251 227 I C 2.374 178.635 176.117 0.238 0.000 1.133 227 I CA 1.476 62.907 61.300 0.218 0.000 1.413 227 I CB -0.629 37.516 38.000 0.242 0.000 1.073 227 I HN 0.831 nan 8.210 nan 0.000 0.424 228 E N -0.044 120.190 120.200 0.055 0.000 2.047 228 E HA -0.222 4.128 4.350 0.000 0.000 0.191 228 E C 1.749 178.449 176.600 0.167 0.000 0.987 228 E CA 1.458 57.886 56.400 0.046 0.000 0.799 228 E CB -0.143 29.477 29.700 -0.134 0.000 0.752 228 E HN 0.473 nan 8.360 nan 0.000 0.449 229 D N 0.129 120.606 120.400 0.128 0.000 2.117 229 D HA -0.129 4.511 4.640 0.000 0.000 0.197 229 D C 1.853 178.285 176.300 0.219 0.000 0.987 229 D CA 0.947 55.024 54.000 0.128 0.000 0.829 229 D CB -0.040 40.780 40.800 0.032 0.000 0.961 229 D HN 0.075 nan 8.370 nan 0.000 0.460 230 M N 0.410 120.155 119.600 0.242 0.000 2.159 230 M HA -0.017 4.463 4.480 0.000 0.000 0.263 230 M C 2.238 178.731 176.300 0.321 0.000 1.063 230 M CA 0.714 56.214 55.300 0.334 0.000 1.110 230 M CB -1.120 31.655 32.600 0.291 0.000 1.374 230 M HN -0.021 nan 8.290 nan 0.000 0.411 231 A N -0.080 122.903 122.820 0.273 0.000 1.902 231 A HA -0.209 4.111 4.320 0.000 0.000 0.217 231 A C 2.376 180.037 177.584 0.129 0.000 1.181 231 A CA 2.006 54.157 52.037 0.190 0.000 0.623 231 A CB -0.727 18.409 19.000 0.227 0.000 0.818 231 A HN 0.470 nan 8.150 nan 0.000 0.443 232 R N -1.340 119.265 120.500 0.175 0.000 2.081 232 R HA -0.178 4.162 4.340 0.000 0.000 0.235 232 R C 2.164 178.563 176.300 0.166 0.000 1.131 232 R CA 1.648 57.830 56.100 0.137 0.000 0.960 232 R CB -0.405 29.987 30.300 0.153 0.000 0.856 232 R HN 0.832 nan 8.270 nan 0.000 0.436 233 W N 0.443 121.770 121.300 0.044 0.000 2.358 233 W HA -0.188 4.472 4.660 0.000 0.000 0.303 233 W C 1.383 177.851 176.519 -0.086 0.000 1.208 233 W CA 1.264 58.628 57.345 0.030 0.000 1.274 233 W CB -0.036 29.496 29.460 0.120 0.000 1.138 233 W HN -0.008 nan 8.180 nan 0.000 0.515 234 V N 1.369 121.203 119.914 -0.132 0.000 2.358 234 V HA -0.336 3.784 4.120 0.000 0.000 0.246 234 V C 2.390 178.154 176.094 -0.550 0.000 1.047 234 V CA 2.253 64.284 62.300 -0.449 0.000 1.035 234 V CB -1.072 30.617 31.823 -0.224 0.000 0.658 234 V HN 0.220 nan 8.190 nan 0.000 0.452 235 Q N -0.123 119.499 119.800 -0.296 0.000 2.135 235 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 235 Q C 2.479 178.289 176.000 -0.316 0.000 0.981 235 Q CA 2.026 57.668 55.803 -0.268 0.000 0.856 235 Q CB -0.277 28.376 28.738 -0.141 0.000 0.902 235 Q HN 0.607 nan 8.270 nan 0.000 0.425 236 S N 0.708 116.226 115.700 -0.303 0.000 2.383 236 S HA -0.074 4.396 4.470 0.000 0.000 0.227 236 S C 1.529 175.864 174.600 -0.442 0.000 1.026 236 S CA 0.885 58.915 58.200 -0.283 0.000 0.981 236 S CB -0.148 62.958 63.200 -0.158 0.000 0.818 236 S HN 0.382 nan 8.310 nan 0.000 0.472 237 N N 1.204 119.462 118.700 -0.737 0.000 2.300 237 N HA 0.116 4.856 4.740 0.000 0.000 0.179 237 N C 1.643 176.654 175.510 -0.831 0.000 1.016 237 N CA 0.544 53.072 53.050 -0.870 0.000 0.876 237 N CB -0.188 37.540 38.487 -1.265 0.000 0.979 237 N HN 0.320 nan 8.380 nan 0.000 0.432 238 L N 0.513 121.203 121.223 -0.888 0.000 2.046 238 L HA -0.052 4.288 4.340 0.000 0.000 0.208 238 L C 1.084 177.776 176.870 -0.297 0.000 1.077 238 L CA 1.177 55.702 54.840 -0.525 0.000 0.747 238 L CB 0.059 41.857 42.059 -0.436 0.000 0.896 238 L HN -0.052 nan 8.230 nan 0.000 0.432 239 K N -0.925 119.307 120.400 -0.279 0.000 3.029 239 K HA 0.194 4.514 4.320 0.000 0.000 0.169 239 K C -1.931 174.575 176.600 -0.157 0.000 1.090 239 K CA -1.133 55.044 56.287 -0.184 0.000 0.883 239 K CB 1.239 33.645 32.500 -0.157 0.000 1.080 239 K HN -0.106 nan 8.250 nan 0.000 0.613 240 P HA -0.124 nan 4.420 nan 0.000 0.222 240 P C 1.075 178.329 177.300 -0.078 0.000 1.147 240 P CA 0.773 63.803 63.100 -0.117 0.000 0.790 240 P CB 0.242 31.879 31.700 -0.106 0.000 0.780 241 L N -0.427 120.752 121.223 -0.074 0.000 2.456 241 L HA -0.079 4.261 4.340 0.000 0.000 0.224 241 L C 1.521 178.361 176.870 -0.051 0.000 1.148 241 L CA 1.038 55.845 54.840 -0.056 0.000 0.825 241 L CB -0.804 41.223 42.059 -0.054 0.000 0.937 241 L HN -0.080 nan 8.230 nan 0.000 0.450 242 D N -0.085 120.279 120.400 -0.060 0.000 2.347 242 D HA 0.043 4.683 4.640 0.000 0.000 0.213 242 D C 0.838 177.114 176.300 -0.040 0.000 0.985 242 D CA 0.470 54.439 54.000 -0.051 0.000 0.879 242 D CB 0.272 41.036 40.800 -0.060 0.000 0.919 242 D HN 0.077 nan 8.370 nan 0.000 0.526 243 I N 2.140 122.687 120.570 -0.039 0.000 2.452 243 I HA -0.007 4.163 4.170 0.000 0.000 0.287 243 I C 1.333 177.440 176.117 -0.017 0.000 1.079 243 I CA -0.056 61.231 61.300 -0.023 0.000 1.387 243 I CB 0.596 38.586 38.000 -0.018 0.000 1.404 243 I HN -0.139 nan 8.210 nan 0.000 0.522 244 N N 4.438 123.131 118.700 -0.012 0.000 2.270 244 N HA -0.107 4.633 4.740 0.000 0.000 0.181 244 N C 0.212 175.717 175.510 -0.008 0.000 1.016 244 N CA 0.718 53.761 53.050 -0.011 0.000 0.870 244 N CB 0.131 38.612 38.487 -0.011 0.000 0.979 244 N HN 0.553 nan 8.380 nan 0.000 0.431 245 E N 1.075 121.273 120.200 -0.004 0.000 2.166 245 E HA 0.098 4.449 4.350 0.000 0.000 0.279 245 E C 0.713 177.312 176.600 -0.001 0.000 1.095 245 E CA 0.042 56.440 56.400 -0.003 0.000 0.888 245 E CB 0.874 30.575 29.700 0.001 0.000 1.041 245 E HN 0.121 nan 8.360 nan 0.000 0.414 246 K N 1.128 121.525 120.400 -0.004 0.000 2.057 246 K HA -0.146 4.174 4.320 0.000 0.000 0.207 246 K C 1.945 178.546 176.600 0.003 0.000 1.049 246 K CA 1.738 58.023 56.287 -0.003 0.000 0.931 246 K CB -0.052 32.445 32.500 -0.004 0.000 0.714 246 K HN 0.592 nan 8.250 nan 0.000 0.440 247 T N -0.192 114.364 114.554 0.004 0.000 2.951 247 T HA -0.080 4.270 4.350 0.000 0.000 0.268 247 T C 1.789 176.501 174.700 0.020 0.000 1.073 247 T CA 0.647 62.753 62.100 0.010 0.000 1.134 247 T CB -0.095 68.775 68.868 0.003 0.000 0.884 247 T HN 0.032 nan 8.240 nan 0.000 0.479 248 L N 1.039 122.274 121.223 0.021 0.000 2.095 248 L HA 0.188 4.528 4.340 0.000 0.000 0.204 248 L C 2.764 179.655 176.870 0.035 0.000 1.080 248 L CA 1.681 56.545 54.840 0.040 0.000 0.759 248 L CB -1.060 41.027 42.059 0.045 0.000 0.914 248 L HN 0.375 nan 8.230 nan 0.000 0.439 249 Q N -0.723 119.085 119.800 0.014 0.000 2.045 249 Q HA -0.340 4.000 4.340 0.000 0.000 0.206 249 Q C 2.275 178.278 176.000 0.004 0.000 0.991 249 Q CA 2.446 58.248 55.803 -0.003 0.000 0.851 249 Q CB -0.212 28.519 28.738 -0.012 0.000 0.911 249 Q HN 0.650 nan 8.270 nan 0.000 0.418 250 Q N -0.390 119.418 119.800 0.013 0.000 2.084 250 Q HA -0.105 4.235 4.340 0.000 0.000 0.202 250 Q C 1.903 177.930 176.000 0.045 0.000 0.978 250 Q CA 2.085 57.901 55.803 0.022 0.000 0.844 250 Q CB -0.755 27.996 28.738 0.021 0.000 0.898 250 Q HN 0.512 nan 8.270 nan 0.000 0.426 251 G N 0.549 109.384 108.800 0.058 0.000 2.418 251 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 251 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 251 G C 1.427 176.398 174.900 0.118 0.000 1.158 251 G CA 0.976 46.132 45.100 0.093 0.000 0.771 251 G HN 0.422 nan 8.290 nan 0.000 0.545 252 I N 0.103 120.725 120.570 0.088 0.000 2.208 252 I HA -0.210 3.960 4.170 0.000 0.000 0.245 252 I C 3.054 179.207 176.117 0.061 0.000 1.097 252 I CA 1.040 62.382 61.300 0.070 0.000 1.363 252 I CB -0.138 37.844 38.000 -0.030 0.000 1.051 252 I HN 0.143 nan 8.210 nan 0.000 0.413 253 Q N 0.385 120.204 119.800 0.031 0.000 2.084 253 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 253 Q C 2.417 178.451 176.000 0.056 0.000 0.978 253 Q CA 1.507 57.320 55.803 0.017 0.000 0.844 253 Q CB -0.287 28.449 28.738 -0.003 0.000 0.898 253 Q HN 0.553 nan 8.270 nan 0.000 0.426 254 L N -0.092 121.189 121.223 0.097 0.000 2.083 254 L HA -0.150 4.190 4.340 0.000 0.000 0.209 254 L C 2.370 179.396 176.870 0.260 0.000 1.083 254 L CA 1.029 55.965 54.840 0.159 0.000 0.752 254 L CB -0.571 41.590 42.059 0.170 0.000 0.899 254 L HN 0.103 nan 8.230 nan 0.000 0.433 255 A N -0.789 122.186 122.820 0.258 0.000 2.067 255 A HA -0.169 4.151 4.320 0.000 0.000 0.219 255 A C 2.040 179.861 177.584 0.396 0.000 1.158 255 A CA 1.085 53.335 52.037 0.354 0.000 0.661 255 A CB -0.243 18.997 19.000 0.400 0.000 0.801 255 A HN 0.490 nan 8.150 nan 0.000 0.452 256 Q N 0.129 120.073 119.800 0.239 0.000 2.280 256 Q HA 0.182 4.522 4.340 0.000 0.000 0.201 256 Q C -0.145 175.877 176.000 0.036 0.000 0.890 256 Q CA -0.322 55.559 55.803 0.129 0.000 0.947 256 Q CB 0.373 29.109 28.738 -0.004 0.000 1.081 256 Q HN 0.493 nan 8.270 nan 0.000 0.502 257 S N 1.022 116.722 115.700 0.000 0.000 2.585 257 S HA 0.212 4.682 4.470 0.000 0.000 0.273 257 S C 0.059 174.462 174.600 -0.329 0.000 1.339 257 S CA -0.177 57.873 58.200 -0.251 0.000 1.028 257 S CB 0.574 63.493 63.200 -0.469 0.000 0.906 257 S HN 0.236 nan 8.310 nan 0.000 0.528 258 R N 1.541 121.821 120.500 -0.366 0.000 2.198 258 R HA 0.254 4.594 4.340 0.000 0.000 0.339 258 R C -0.380 175.739 176.300 -0.301 0.000 1.020 258 R CA -0.140 55.850 56.100 -0.182 0.000 0.864 258 R CB 0.359 30.543 30.300 -0.192 0.000 1.105 258 R HN 0.683 nan 8.270 nan 0.000 0.463 259 Y N 0.621 120.921 120.300 -0.001 0.000 2.479 259 Y HA 0.152 4.702 4.550 0.000 0.000 0.283 259 Y C 0.129 175.717 175.900 -0.520 0.000 1.109 259 Y CA 0.316 58.252 58.100 -0.273 0.000 1.239 259 Y CB 0.543 38.852 38.460 -0.252 0.000 1.108 259 Y HN 0.458 nan 8.280 nan 0.000 0.548 260 W N -0.239 121.227 121.300 0.276 0.000 3.107 260 W HA 0.552 5.212 4.660 0.000 0.000 0.331 260 W C -0.897 175.739 176.519 0.196 0.000 1.204 260 W CA -0.988 56.478 57.345 0.202 0.000 1.184 260 W CB 1.145 30.706 29.460 0.169 0.000 1.421 260 W HN -0.458 nan 8.180 nan 0.000 0.544 261 Q N 1.338 121.353 119.800 0.358 0.000 2.340 261 Q HA 0.696 5.036 4.340 0.000 0.000 0.268 261 Q C -1.054 174.986 176.000 0.065 0.000 1.031 261 Q CA -0.293 55.564 55.803 0.089 0.000 0.804 261 Q CB 2.023 30.748 28.738 -0.021 0.000 1.286 261 Q HN 0.464 nan 8.270 nan 0.000 0.448 262 T N 2.369 116.910 114.554 -0.020 0.000 2.861 262 T HA 0.302 4.652 4.350 0.000 0.000 0.287 262 T C 1.049 175.703 174.700 -0.077 0.000 1.003 262 T CA -0.032 62.053 62.100 -0.023 0.000 0.977 262 T CB 1.517 70.390 68.868 0.009 0.000 0.996 262 T HN 0.842 nan 8.240 nan 0.000 0.448 263 G N 1.680 110.443 108.800 -0.062 0.000 2.950 263 G HA2 -0.293 3.667 3.960 0.000 0.000 0.225 263 G HA3 -0.293 3.667 3.960 0.000 0.000 0.225 263 G C 0.908 175.771 174.900 -0.062 0.000 1.069 263 G CA 1.274 46.336 45.100 -0.063 0.000 0.716 263 G HN 0.732 nan 8.290 nan 0.000 0.644 264 D N -1.406 118.967 120.400 -0.044 0.000 2.380 264 D HA 0.168 4.808 4.640 0.000 0.000 0.212 264 D C 1.444 177.745 176.300 0.001 0.000 1.021 264 D CA 0.888 54.878 54.000 -0.017 0.000 0.884 264 D CB 0.423 41.229 40.800 0.010 0.000 1.001 264 D HN 0.500 nan 8.370 nan 0.000 0.506 265 M N -1.052 118.532 119.600 -0.028 0.000 3.472 265 M HA 0.233 4.713 4.480 0.000 0.000 0.293 265 M C -2.083 174.143 176.300 -0.122 0.000 1.316 265 M CA -0.552 54.753 55.300 0.008 0.000 0.857 265 M CB 1.033 33.754 32.600 0.202 0.000 1.708 265 M HN -0.253 nan 8.290 nan 0.000 0.505 266 Y N 1.061 121.479 120.300 0.197 0.000 2.360 266 Y HA 0.615 5.165 4.550 0.000 0.000 0.337 266 Y C -0.026 176.040 175.900 0.276 0.000 1.039 266 Y CA -0.248 57.978 58.100 0.211 0.000 1.109 266 Y CB 1.394 39.945 38.460 0.152 0.000 1.201 266 Y HN 0.654 nan 8.280 nan 0.000 0.458 267 Q N 2.064 122.150 119.800 0.476 0.000 2.303 267 Q HA 0.531 4.871 4.340 0.000 0.000 0.257 267 Q C -0.005 176.291 176.000 0.493 0.000 0.941 267 Q CA -0.301 55.780 55.803 0.464 0.000 0.931 267 Q CB 1.198 30.221 28.738 0.476 0.000 1.215 267 Q HN 0.887 nan 8.270 nan 0.000 0.437 268 G N 2.766 111.835 108.800 0.447 0.000 2.641 268 G HA2 0.445 4.405 3.960 0.000 0.000 0.239 268 G HA3 0.445 4.405 3.960 0.000 0.000 0.239 268 G C -0.834 174.254 174.900 0.313 0.000 1.402 268 G CA -0.803 44.587 45.100 0.483 0.000 1.046 268 G HN 0.604 nan 8.290 nan 0.000 0.565 269 L N 1.229 122.612 121.223 0.267 0.000 2.288 269 L HA 0.421 4.761 4.340 0.000 0.000 0.283 269 L C 1.429 178.359 176.870 0.101 0.000 1.072 269 L CA 0.456 55.327 54.840 0.051 0.000 0.862 269 L CB 0.318 42.402 42.059 0.042 0.000 1.245 269 L HN 1.041 nan 8.230 nan 0.000 0.432 270 G N 2.109 110.936 108.800 0.045 0.000 4.039 270 G HA2 -0.315 3.645 3.960 0.000 0.000 0.220 270 G HA3 -0.315 3.645 3.960 0.000 0.000 0.220 270 G C 0.062 175.017 174.900 0.093 0.000 1.391 270 G CA -0.132 44.991 45.100 0.039 0.000 0.920 270 G HN 0.527 nan 8.290 nan 0.000 0.599 271 W N 2.575 124.015 121.300 0.233 0.000 2.209 271 W HA 0.505 5.165 4.660 0.000 0.000 0.344 271 W C 0.911 177.585 176.519 0.260 0.000 1.285 271 W CA 0.060 57.539 57.345 0.224 0.000 1.267 271 W CB 0.301 29.869 29.460 0.180 0.000 1.167 271 W HN 0.381 nan 8.180 nan 0.000 0.574 272 E N 1.731 122.285 120.200 0.592 0.000 2.227 272 E HA 0.617 4.967 4.350 0.000 0.000 0.268 272 E C -0.777 176.138 176.600 0.525 0.000 0.907 272 E CA -1.162 55.555 56.400 0.529 0.000 0.786 272 E CB 1.667 31.666 29.700 0.499 0.000 1.191 272 E HN 0.184 nan 8.360 nan 0.000 0.411 273 M N 1.827 121.687 119.600 0.433 0.000 2.484 273 M HA 0.470 4.950 4.480 0.000 0.000 0.289 273 M C -1.584 174.955 176.300 0.397 0.000 1.206 273 M CA -0.329 55.163 55.300 0.320 0.000 0.892 273 M CB 1.807 34.524 32.600 0.196 0.000 1.712 273 M HN 0.304 nan 8.290 nan 0.000 0.462 274 L N 0.449 121.872 121.223 0.333 0.000 2.376 274 L HA 0.571 4.911 4.340 0.000 0.000 0.258 274 L C -0.836 176.213 176.870 0.299 0.000 1.013 274 L CA -0.730 54.312 54.840 0.338 0.000 0.822 274 L CB 1.926 44.099 42.059 0.190 0.000 1.388 274 L HN 0.552 nan 8.230 nan 0.000 0.413 275 D N 0.857 121.425 120.400 0.281 0.000 2.424 275 D HA -0.028 4.612 4.640 0.000 0.000 0.244 275 D C -0.893 175.550 176.300 0.239 0.000 1.134 275 D CA 0.216 54.343 54.000 0.210 0.000 0.881 275 D CB 1.071 41.965 40.800 0.157 0.000 1.191 275 D HN 0.346 nan 8.370 nan 0.000 0.445 276 W N 4.709 126.065 121.300 0.094 0.000 2.390 276 W HA 0.271 4.931 4.660 -0.000 0.000 0.312 276 W C -2.338 174.227 176.519 0.076 0.000 1.123 276 W CA -1.866 55.546 57.345 0.112 0.000 1.202 276 W CB 1.168 30.703 29.460 0.125 0.000 1.251 276 W HN 0.225 nan 8.180 nan 0.000 0.511 277 P HA 0.152 nan 4.420 nan 0.000 0.275 277 P C -0.578 176.415 177.300 -0.511 0.000 1.227 277 P CA -0.015 62.335 63.100 -1.250 0.000 0.781 277 P CB 1.639 32.768 31.700 -0.952 0.000 0.906 278 V N 1.525 121.186 119.914 -0.421 0.000 2.863 278 V HA 0.299 4.419 4.120 0.000 0.000 0.307 278 V C 0.823 176.745 176.094 -0.288 0.000 1.061 278 V CA -0.960 61.211 62.300 -0.215 0.000 1.024 278 V CB 0.894 32.593 31.823 -0.207 0.000 1.049 278 V HN 0.598 nan 8.190 nan 0.000 0.471 279 N N 4.097 122.631 118.700 -0.276 0.000 2.402 279 N HA 0.211 4.951 4.740 0.000 0.000 0.252 279 N C -1.442 173.778 175.510 -0.483 0.000 1.118 279 N CA -2.024 50.833 53.050 -0.321 0.000 0.945 279 N CB 1.594 39.946 38.487 -0.224 0.000 1.147 279 N HN 0.368 nan 8.380 nan 0.000 0.495 280 P HA -0.108 nan 4.420 nan 0.000 0.217 280 P C 0.429 177.352 177.300 -0.629 0.000 1.150 280 P CA 1.102 63.544 63.100 -1.097 0.000 0.832 280 P CB 0.524 31.054 31.700 -1.949 0.000 0.787 281 D N -0.286 119.837 120.400 -0.462 0.000 2.144 281 D HA -0.079 4.561 4.640 0.000 0.000 0.199 281 D C 2.070 178.233 176.300 -0.227 0.000 0.984 281 D CA 1.109 54.932 54.000 -0.293 0.000 0.834 281 D CB -0.272 40.392 40.800 -0.226 0.000 0.955 281 D HN 0.167 nan 8.370 nan 0.000 0.465 282 S N 0.967 116.528 115.700 -0.232 0.000 2.355 282 S HA -0.096 4.374 4.470 0.000 0.000 0.222 282 S C 2.327 176.842 174.600 -0.143 0.000 1.031 282 S CA 0.682 58.783 58.200 -0.166 0.000 0.993 282 S CB -0.196 62.913 63.200 -0.151 0.000 0.859 282 S HN 0.418 nan 8.310 nan 0.000 0.453 283 I N -0.146 120.306 120.570 -0.196 0.000 2.394 283 I HA -0.051 4.119 4.170 0.000 0.000 0.251 283 I C 1.954 178.033 176.117 -0.063 0.000 1.136 283 I CA 1.180 62.415 61.300 -0.109 0.000 1.425 283 I CB -0.557 37.316 38.000 -0.212 0.000 1.079 283 I HN 0.132 nan 8.210 nan 0.000 0.425 284 I N 1.858 122.341 120.570 -0.145 0.000 2.113 284 I HA -0.290 3.880 4.170 0.000 0.000 0.238 284 I C 2.524 178.593 176.117 -0.079 0.000 1.070 284 I CA 2.121 63.356 61.300 -0.108 0.000 1.332 284 I CB -0.682 37.233 38.000 -0.141 0.000 1.044 284 I HN 0.335 nan 8.210 nan 0.000 0.402 285 N N 1.068 119.714 118.700 -0.090 0.000 2.120 285 N HA -0.137 4.603 4.740 0.000 0.000 0.188 285 N C 1.861 177.341 175.510 -0.050 0.000 1.024 285 N CA 1.674 54.682 53.050 -0.069 0.000 0.852 285 N CB -0.393 38.048 38.487 -0.077 0.000 1.003 285 N HN 0.310 nan 8.380 nan 0.000 0.424 286 G N -0.977 107.800 108.800 -0.039 0.000 2.470 286 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 286 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 286 G C 1.508 176.406 174.900 -0.003 0.000 1.121 286 G CA 1.175 46.268 45.100 -0.012 0.000 0.766 286 G HN 0.509 nan 8.290 nan 0.000 0.553 287 S N -0.236 115.462 115.700 -0.003 0.000 2.489 287 S HA -0.017 4.453 4.470 0.000 0.000 0.228 287 S C 0.852 175.413 174.600 -0.065 0.000 0.995 287 S CA 0.199 58.385 58.200 -0.024 0.000 0.934 287 S CB -0.112 63.071 63.200 -0.028 0.000 0.771 287 S HN 0.313 nan 8.310 nan 0.000 0.522 288 D N 1.930 122.295 120.400 -0.058 0.000 2.458 288 D HA 0.050 4.690 4.640 0.000 0.000 0.243 288 D C 0.428 176.689 176.300 -0.065 0.000 1.146 288 D CA 0.035 53.999 54.000 -0.059 0.000 0.877 288 D CB 0.517 41.289 40.800 -0.047 0.000 1.176 288 D HN 0.110 nan 8.370 nan 0.000 0.461 289 N N 3.224 121.882 118.700 -0.070 0.000 2.334 289 N HA -0.204 4.536 4.740 0.000 0.000 0.187 289 N C 1.618 177.098 175.510 -0.050 0.000 1.016 289 N CA 0.823 53.828 53.050 -0.075 0.000 0.879 289 N CB -0.113 38.335 38.487 -0.065 0.000 0.965 289 N HN 0.651 nan 8.380 nan 0.000 0.438 290 K N 0.326 120.704 120.400 -0.036 0.000 2.209 290 K HA -0.051 4.269 4.320 0.000 0.000 0.204 290 K C 1.729 178.315 176.600 -0.024 0.000 1.048 290 K CA 1.012 57.286 56.287 -0.023 0.000 0.940 290 K CB -0.079 32.410 32.500 -0.019 0.000 0.729 290 K HN 0.197 nan 8.250 nan 0.000 0.451 291 I N 1.128 121.678 120.570 -0.034 0.000 2.729 291 I HA -0.019 4.151 4.170 0.000 0.000 0.256 291 I C 2.606 178.699 176.117 -0.040 0.000 1.115 291 I CA 0.577 61.858 61.300 -0.032 0.000 1.446 291 I CB -0.175 37.807 38.000 -0.031 0.000 1.176 291 I HN 0.180 nan 8.210 nan 0.000 0.446 292 A N 0.979 123.759 122.820 -0.066 0.000 1.972 292 A HA -0.093 4.227 4.320 0.000 0.000 0.219 292 A C 2.067 179.567 177.584 -0.140 0.000 1.169 292 A CA 1.411 53.379 52.037 -0.114 0.000 0.635 292 A CB -0.648 18.248 19.000 -0.173 0.000 0.810 292 A HN 0.434 nan 8.150 nan 0.000 0.446 293 L N -0.925 120.241 121.223 -0.095 0.000 2.628 293 L HA 0.299 4.639 4.340 0.000 0.000 0.229 293 L C 0.979 177.862 176.870 0.022 0.000 1.137 293 L CA -0.150 54.669 54.840 -0.035 0.000 0.909 293 L CB -0.145 41.899 42.059 -0.026 0.000 1.137 293 L HN 0.353 nan 8.230 nan 0.000 0.470 294 A N 0.595 123.419 122.820 0.007 0.000 2.293 294 A HA 0.723 5.043 4.320 0.000 0.000 0.302 294 A C 0.396 177.983 177.584 0.006 0.000 1.119 294 A CA -0.293 51.757 52.037 0.021 0.000 0.823 294 A CB 0.618 19.620 19.000 0.003 0.000 1.097 294 A HN 0.182 nan 8.150 nan 0.000 0.491 295 A N 2.097 124.919 122.820 0.003 0.000 2.477 295 A HA 0.556 4.876 4.320 0.000 0.000 0.246 295 A C 0.313 177.798 177.584 -0.165 0.000 1.078 295 A CA 0.001 51.961 52.037 -0.128 0.000 0.770 295 A CB 0.087 18.918 19.000 -0.283 0.000 1.011 295 A HN 0.719 nan 8.150 nan 0.000 0.494 296 R N 2.231 122.611 120.500 -0.200 0.000 2.621 296 R HA 0.442 4.782 4.340 0.000 0.000 0.284 296 R C -3.144 173.029 176.300 -0.212 0.000 0.998 296 R CA -2.119 53.884 56.100 -0.161 0.000 0.895 296 R CB 1.898 32.148 30.300 -0.083 0.000 1.195 296 R HN 0.502 nan 8.270 nan 0.000 0.450 297 P HA 0.040 nan 4.420 nan 0.000 0.268 297 P C -0.103 177.139 177.300 -0.095 0.000 1.205 297 P CA -0.176 62.822 63.100 -0.171 0.000 0.771 297 P CB 0.660 32.287 31.700 -0.121 0.000 0.858 298 V N -0.066 119.800 119.914 -0.080 0.000 2.581 298 V HA 0.543 4.663 4.120 0.000 0.000 0.303 298 V C -0.051 176.155 176.094 0.188 0.000 1.041 298 V CA -1.092 61.236 62.300 0.047 0.000 0.907 298 V CB 1.851 33.634 31.823 -0.066 0.000 0.994 298 V HN 0.401 nan 8.190 nan 0.000 0.442 299 K N 3.093 123.647 120.400 0.255 0.000 2.213 299 K HA 0.736 5.056 4.320 0.000 0.000 0.270 299 K C 0.160 176.994 176.600 0.390 0.000 1.002 299 K CA -0.325 56.119 56.287 0.262 0.000 0.868 299 K CB 1.416 34.007 32.500 0.152 0.000 1.093 299 K HN 1.153 nan 8.250 nan 0.000 0.454 300 A N 5.210 128.236 122.820 0.343 0.000 2.477 300 A HA 0.211 4.531 4.320 0.000 0.000 0.246 300 A C -0.030 177.520 177.584 -0.057 0.000 1.078 300 A CA -0.105 51.926 52.037 -0.009 0.000 0.770 300 A CB -0.136 18.827 19.000 -0.062 0.000 1.011 300 A HN 0.800 nan 8.150 nan 0.000 0.494 301 I N 2.826 123.287 120.570 -0.181 0.000 2.307 301 I HA 0.203 4.373 4.170 0.000 0.000 0.287 301 I C -0.162 175.861 176.117 -0.155 0.000 1.054 301 I CA 0.146 61.383 61.300 -0.105 0.000 1.218 301 I CB 1.100 39.061 38.000 -0.066 0.000 1.398 301 I HN 0.519 nan 8.210 nan 0.000 0.475 302 T N 6.515 121.011 114.554 -0.095 0.000 2.893 302 T HA 0.400 4.751 4.350 0.000 0.000 0.324 302 T C -1.753 172.912 174.700 -0.058 0.000 1.082 302 T CA -0.954 61.096 62.100 -0.083 0.000 0.983 302 T CB 0.806 69.643 68.868 -0.052 0.000 1.005 302 T HN 0.437 nan 8.240 nan 0.000 0.475 303 P HA 0.519 nan 4.420 nan 0.000 0.279 303 P C -3.009 174.209 177.300 -0.137 0.000 1.276 303 P CA -2.048 60.998 63.100 -0.090 0.000 0.801 303 P CB -0.085 31.575 31.700 -0.067 0.000 1.127 304 P HA 0.054 nan 4.420 nan 0.000 0.266 304 P C -0.289 176.852 177.300 -0.264 0.000 1.195 304 P CA 0.427 63.333 63.100 -0.323 0.000 0.768 304 P CB -0.081 31.271 31.700 -0.580 0.000 0.838 305 T N 5.471 119.870 114.554 -0.258 0.000 2.870 305 T HA 0.220 4.570 4.350 0.000 0.000 0.300 305 T C -2.079 172.488 174.700 -0.221 0.000 0.989 305 T CA -0.957 61.018 62.100 -0.209 0.000 1.139 305 T CB -0.243 68.499 68.868 -0.210 0.000 0.920 305 T HN 0.283 nan 8.240 nan 0.000 0.537 306 P HA 0.191 nan 4.420 nan 0.000 0.269 306 P C -0.516 176.705 177.300 -0.131 0.000 1.217 306 P CA -0.478 62.541 63.100 -0.134 0.000 0.783 306 P CB 0.273 31.917 31.700 -0.093 0.000 0.898 307 A N 2.204 124.962 122.820 -0.104 0.000 2.572 307 A HA 0.043 4.363 4.320 0.000 0.000 0.256 307 A C 0.170 177.697 177.584 -0.095 0.000 1.041 307 A CA 0.296 52.277 52.037 -0.092 0.000 0.790 307 A CB -0.895 18.064 19.000 -0.067 0.000 0.947 307 A HN 0.364 nan 8.150 nan 0.000 0.518 308 V N 6.182 126.032 119.914 -0.107 0.000 2.406 308 V HA 0.127 4.247 4.120 0.000 0.000 0.272 308 V C 1.569 177.621 176.094 -0.071 0.000 1.043 308 V CA -0.313 61.931 62.300 -0.092 0.000 0.915 308 V CB 0.904 32.658 31.823 -0.115 0.000 0.988 308 V HN 1.061 nan 8.190 nan 0.000 0.466 309 R N 3.638 124.104 120.500 -0.056 0.000 2.081 309 R HA -0.054 4.286 4.340 0.000 0.000 0.235 309 R C 1.323 177.600 176.300 -0.038 0.000 1.131 309 R CA 1.416 57.483 56.100 -0.055 0.000 0.960 309 R CB -0.089 30.181 30.300 -0.050 0.000 0.856 309 R HN 0.738 nan 8.270 nan 0.000 0.436 310 A N 1.729 124.557 122.820 0.012 0.000 3.063 310 A HA 0.229 4.549 4.320 0.000 0.000 0.263 310 A C -0.542 177.135 177.584 0.155 0.000 1.736 310 A CA 0.147 52.246 52.037 0.105 0.000 1.408 310 A CB 0.032 19.123 19.000 0.152 0.000 1.108 310 A HN 0.051 nan 8.150 nan 0.000 0.621 311 S N 0.652 116.405 115.700 0.089 0.000 2.548 311 S HA 0.493 4.963 4.470 0.000 0.000 0.286 311 S C -0.970 173.691 174.600 0.100 0.000 1.098 311 S CA -0.573 57.691 58.200 0.106 0.000 0.930 311 S CB 1.175 64.354 63.200 -0.035 0.000 1.070 311 S HN 0.688 nan 8.310 nan 0.000 0.480 312 W N 4.364 125.679 121.300 0.025 0.000 2.342 312 W HA 0.544 5.204 4.660 -0.000 0.000 0.310 312 W C -1.765 174.602 176.519 -0.252 0.000 1.128 312 W CA -0.485 56.809 57.345 -0.084 0.000 1.322 312 W CB 0.530 30.055 29.460 0.109 0.000 1.251 312 W HN 0.336 nan 8.180 nan 0.000 0.439 313 V N 7.646 127.107 119.914 -0.754 0.000 2.435 313 V HA 0.429 4.549 4.120 0.000 0.000 0.290 313 V C -0.047 175.651 176.094 -0.660 0.000 1.030 313 V CA -0.355 61.478 62.300 -0.779 0.000 0.881 313 V CB 1.275 32.132 31.823 -1.609 0.000 0.983 313 V HN 0.673 nan 8.190 nan 0.000 0.445 314 H N 2.492 121.504 119.070 -0.097 0.000 2.948 314 H HA 0.894 5.450 4.556 0.000 0.000 0.315 314 H C -1.321 174.279 175.328 0.454 0.000 1.360 314 H CA -1.293 54.825 56.048 0.115 0.000 1.125 314 H CB 2.167 32.010 29.762 0.135 0.000 1.844 314 H HN 0.433 nan 8.280 nan 0.000 0.529 315 K N 1.278 121.803 120.400 0.209 0.000 2.575 315 K HA 0.242 4.562 4.320 0.000 0.000 0.255 315 K C -1.377 175.341 176.600 0.197 0.000 0.953 315 K CA -0.026 56.336 56.287 0.126 0.000 0.840 315 K CB 1.950 34.508 32.500 0.097 0.000 1.303 315 K HN 0.918 nan 8.250 nan 0.000 0.438 316 T N 0.040 114.733 114.554 0.232 0.000 2.899 316 T HA 0.868 5.218 4.350 0.000 0.000 0.284 316 T C 0.328 175.127 174.700 0.166 0.000 1.004 316 T CA -0.373 61.894 62.100 0.278 0.000 1.043 316 T CB 1.584 70.520 68.868 0.113 0.000 1.013 316 T HN 0.693 nan 8.240 nan 0.000 0.518 317 G N -0.538 108.361 108.800 0.165 0.000 2.733 317 G HA2 0.695 4.655 3.960 0.000 0.000 0.297 317 G HA3 0.695 4.655 3.960 0.000 0.000 0.297 317 G C -1.493 173.499 174.900 0.153 0.000 1.452 317 G CA -0.465 44.729 45.100 0.157 0.000 0.940 317 G HN 1.095 nan 8.290 nan 0.000 0.547 318 A N 0.614 123.517 122.820 0.139 0.000 2.556 318 A HA 1.002 5.322 4.320 0.000 0.000 0.294 318 A C 0.139 177.814 177.584 0.151 0.000 1.091 318 A CA 0.088 52.217 52.037 0.154 0.000 0.704 318 A CB 1.787 20.843 19.000 0.092 0.000 1.300 318 A HN 1.900 nan 8.150 nan 0.000 0.406 319 T N -2.228 112.455 114.554 0.215 0.000 2.807 319 T HA 0.609 4.959 4.350 0.000 0.000 0.277 319 T C 1.347 176.160 174.700 0.188 0.000 1.006 319 T CA 0.147 62.352 62.100 0.175 0.000 1.006 319 T CB 0.930 69.944 68.868 0.243 0.000 1.274 319 T HN 1.472 nan 8.240 nan 0.000 0.569 320 G N -0.410 108.483 108.800 0.155 0.000 2.475 320 G HA2 0.121 4.081 3.960 0.000 0.000 0.220 320 G HA3 0.121 4.081 3.960 0.000 0.000 0.220 320 G C 1.157 176.152 174.900 0.159 0.000 1.125 320 G CA 0.648 45.827 45.100 0.132 0.000 0.755 320 G HN 1.142 nan 8.290 nan 0.000 0.565 321 G N -1.457 107.491 108.800 0.247 0.000 3.228 321 G HA2 0.475 4.435 3.960 0.000 0.000 0.245 321 G HA3 0.475 4.435 3.960 0.000 0.000 0.245 321 G C -0.347 174.554 174.900 0.001 0.000 1.051 321 G CA -0.439 44.732 45.100 0.118 0.000 0.809 321 G HN 0.192 nan 8.290 nan 0.000 0.531 322 F N -0.509 119.574 119.950 0.222 0.000 2.599 322 F HA 0.713 5.240 4.527 0.000 0.000 0.311 322 F C 0.286 176.220 175.800 0.224 0.000 1.076 322 F CA -1.136 57.031 58.000 0.280 0.000 0.937 322 F CB 2.444 41.635 39.000 0.318 0.000 1.282 322 F HN 0.013 nan 8.300 nan 0.000 0.460 323 G N 0.768 109.829 108.800 0.436 0.000 2.739 323 G HA2 0.591 4.551 3.960 0.000 0.000 0.291 323 G HA3 0.591 4.551 3.960 0.000 0.000 0.291 323 G C -1.656 173.403 174.900 0.266 0.000 1.478 323 G CA -0.598 44.640 45.100 0.231 0.000 1.062 323 G HN 0.575 nan 8.290 nan 0.000 0.532 324 S N 0.155 115.988 115.700 0.222 0.000 2.632 324 S HA 0.829 5.299 4.470 0.000 0.000 0.289 324 S C -1.707 173.080 174.600 0.312 0.000 1.115 324 S CA -0.684 57.670 58.200 0.258 0.000 0.889 324 S CB 2.111 65.460 63.200 0.248 0.000 1.116 324 S HN 0.728 nan 8.310 nan 0.000 0.486 325 Y N 0.231 120.636 120.300 0.174 0.000 2.521 325 Y HA 0.595 5.145 4.550 0.000 0.000 0.332 325 Y C -1.958 174.092 175.900 0.250 0.000 1.121 325 Y CA -0.706 57.513 58.100 0.198 0.000 1.037 325 Y CB 1.031 39.605 38.460 0.191 0.000 1.330 325 Y HN 0.501 nan 8.280 nan 0.000 0.452 326 V N 4.367 124.118 119.914 -0.271 0.000 2.686 326 V HA 0.973 5.093 4.120 0.000 0.000 0.306 326 V C -0.884 174.978 176.094 -0.388 0.000 1.065 326 V CA -0.231 62.004 62.300 -0.109 0.000 0.894 326 V CB 1.504 33.501 31.823 0.289 0.000 1.004 326 V HN 1.011 nan 8.190 nan 0.000 0.424 327 A N 4.647 127.275 122.820 -0.319 0.000 2.549 327 A HA 1.049 5.369 4.320 0.000 0.000 0.297 327 A C -1.315 176.005 177.584 -0.440 0.000 1.061 327 A CA -0.524 51.191 52.037 -0.538 0.000 0.690 327 A CB 1.901 20.466 19.000 -0.725 0.000 1.287 327 A HN 1.521 nan 8.150 nan 0.000 0.402 328 F N -0.901 118.593 119.950 -0.759 0.000 2.693 328 F HA 0.812 5.339 4.527 -0.000 0.000 0.309 328 F C -1.561 173.867 175.800 -0.620 0.000 1.129 328 F CA -1.199 56.429 58.000 -0.619 0.000 0.948 328 F CB 1.197 39.901 39.000 -0.493 0.000 1.315 328 F HN 0.303 nan 8.300 nan 0.000 0.447 329 I N 2.434 122.787 120.570 -0.363 0.000 2.495 329 I HA 0.333 4.503 4.170 0.000 0.000 0.277 329 I C -2.175 173.801 176.117 -0.235 0.000 1.045 329 I CA -1.803 59.249 61.300 -0.413 0.000 1.135 329 I CB 1.740 39.335 38.000 -0.675 0.000 1.241 329 I HN 0.368 nan 8.210 nan 0.000 0.469 330 P HA -0.231 nan 4.420 nan 0.000 0.216 330 P C 1.510 178.730 177.300 -0.133 0.000 1.153 330 P CA 1.249 64.298 63.100 -0.084 0.000 0.858 330 P CB 0.336 32.000 31.700 -0.059 0.000 0.789 331 E N 0.166 120.277 120.200 -0.147 0.000 2.118 331 E HA -0.213 4.137 4.350 0.000 0.000 0.195 331 E C 1.391 177.898 176.600 -0.156 0.000 0.992 331 E CA 1.527 57.851 56.400 -0.127 0.000 0.804 331 E CB -0.411 29.233 29.700 -0.093 0.000 0.741 331 E HN 0.009 nan 8.360 nan 0.000 0.458 332 K N 0.254 120.515 120.400 -0.232 0.000 2.374 332 K HA 0.059 4.379 4.320 0.000 0.000 0.196 332 K C -0.279 176.189 176.600 -0.219 0.000 1.023 332 K CA 0.572 56.721 56.287 -0.231 0.000 1.103 332 K CB 0.417 32.724 32.500 -0.321 0.000 0.848 332 K HN 0.254 nan 8.250 nan 0.000 0.528 333 E N 0.674 120.756 120.200 -0.196 0.000 2.440 333 E HA -0.230 4.120 4.350 0.000 0.000 0.246 333 E C -0.693 175.797 176.600 -0.184 0.000 1.165 333 E CA 0.218 56.507 56.400 -0.185 0.000 0.726 333 E CB -1.411 28.177 29.700 -0.187 0.000 1.271 333 E HN 0.030 nan 8.360 nan 0.000 0.397 334 L N -0.204 120.912 121.223 -0.178 0.000 2.386 334 L HA 0.813 5.153 4.340 0.000 0.000 0.271 334 L C 0.184 176.981 176.870 -0.121 0.000 0.993 334 L CA 0.210 54.967 54.840 -0.138 0.000 0.819 334 L CB 2.040 43.994 42.059 -0.175 0.000 1.294 334 L HN 0.082 nan 8.230 nan 0.000 0.414 335 G N 4.043 112.804 108.800 -0.064 0.000 2.608 335 G HA2 0.633 4.593 3.960 0.000 0.000 0.291 335 G HA3 0.633 4.593 3.960 0.000 0.000 0.291 335 G C -2.193 172.706 174.900 -0.001 0.000 1.425 335 G CA -0.457 44.610 45.100 -0.054 0.000 0.787 335 G HN 0.757 nan 8.290 nan 0.000 0.484 336 I N -0.239 120.338 120.570 0.011 0.000 2.752 336 I HA 0.627 4.797 4.170 0.000 0.000 0.295 336 I C -1.356 174.828 176.117 0.111 0.000 1.219 336 I CA -0.956 60.396 61.300 0.086 0.000 1.030 336 I CB 2.315 40.389 38.000 0.124 0.000 1.259 336 I HN 0.384 nan 8.210 nan 0.000 0.423 337 V N 7.240 127.255 119.914 0.168 0.000 2.588 337 V HA 0.540 4.660 4.120 0.000 0.000 0.304 337 V C -0.499 175.733 176.094 0.230 0.000 1.042 337 V CA -0.450 61.968 62.300 0.198 0.000 0.877 337 V CB 1.857 33.808 31.823 0.212 0.000 0.996 337 V HN 0.638 nan 8.190 nan 0.000 0.425 338 M N 6.124 125.872 119.600 0.247 0.000 2.142 338 M HA 0.606 5.086 4.480 0.000 0.000 0.299 338 M C -1.345 175.067 176.300 0.187 0.000 0.960 338 M CA -0.138 55.312 55.300 0.251 0.000 0.920 338 M CB 1.886 34.684 32.600 0.329 0.000 1.541 338 M HN 0.383 nan 8.290 nan 0.000 0.429 339 L N 2.913 124.150 121.223 0.023 0.000 2.356 339 L HA 0.980 5.320 4.340 0.000 0.000 0.277 339 L C -0.435 176.302 176.870 -0.222 0.000 0.996 339 L CA -0.718 53.990 54.840 -0.220 0.000 0.822 339 L CB 1.819 43.419 42.059 -0.765 0.000 1.256 339 L HN 0.794 nan 8.230 nan 0.000 0.413 340 A N 1.913 124.847 122.820 0.190 0.000 2.414 340 A HA 0.563 4.883 4.320 0.000 0.000 0.306 340 A C -0.295 177.645 177.584 0.593 0.000 1.054 340 A CA -0.751 51.533 52.037 0.412 0.000 0.724 340 A CB 1.233 20.484 19.000 0.417 0.000 1.267 340 A HN 0.755 nan 8.150 nan 0.000 0.418 341 N N 1.308 120.295 118.700 0.478 0.000 2.466 341 N HA 0.129 4.869 4.740 0.000 0.000 0.251 341 N C -0.376 175.127 175.510 -0.011 0.000 1.164 341 N CA -0.032 52.988 53.050 -0.050 0.000 0.888 341 N CB 0.190 38.630 38.487 -0.079 0.000 1.177 341 N HN 0.604 nan 8.380 nan 0.000 0.498 342 K N 0.132 120.624 120.400 0.154 0.000 2.498 342 K HA 0.238 4.558 4.320 0.000 0.000 0.254 342 K C -1.486 175.300 176.600 0.311 0.000 0.933 342 K CA -0.734 55.664 56.287 0.185 0.000 0.806 342 K CB 1.294 33.896 32.500 0.170 0.000 1.301 342 K HN -0.062 nan 8.250 nan 0.000 0.432 343 N N 3.906 122.747 118.700 0.235 0.000 2.415 343 N HA 0.100 4.840 4.740 0.000 0.000 0.250 343 N C -1.517 174.115 175.510 0.203 0.000 1.127 343 N CA 0.021 53.189 53.050 0.196 0.000 0.945 343 N CB -0.106 38.466 38.487 0.142 0.000 1.196 343 N HN 0.478 nan 8.380 nan 0.000 0.499 344 Y N 1.477 121.822 120.300 0.074 0.000 2.549 344 Y HA 0.767 5.317 4.550 0.000 0.000 0.339 344 Y C -2.610 173.310 175.900 0.033 0.000 1.053 344 Y CA -3.054 55.072 58.100 0.044 0.000 1.105 344 Y CB 0.223 38.704 38.460 0.036 0.000 1.258 344 Y HN 0.288 nan 8.280 nan 0.000 0.478 345 P HA 0.039 nan 4.420 nan 0.000 0.265 345 P C 0.084 177.270 177.300 -0.189 0.000 1.193 345 P CA 0.224 63.281 63.100 -0.071 0.000 0.765 345 P CB 0.740 32.445 31.700 0.008 0.000 0.823 346 N N 4.607 123.197 118.700 -0.183 0.000 2.049 346 N HA -0.178 4.562 4.740 0.000 0.000 0.198 346 N C -0.870 174.533 175.510 -0.177 0.000 1.030 346 N CA 2.047 54.975 53.050 -0.202 0.000 0.870 346 N CB -1.998 36.403 38.487 -0.144 0.000 1.045 346 N HN 0.462 nan 8.380 nan 0.000 0.434 347 P HA -0.028 nan 4.420 nan 0.000 0.219 347 P C 0.988 178.262 177.300 -0.043 0.000 1.146 347 P CA 1.350 64.404 63.100 -0.077 0.000 0.808 347 P CB -0.074 31.595 31.700 -0.052 0.000 0.779 348 A N 0.023 122.844 122.820 0.002 0.000 1.930 348 A HA -0.191 4.129 4.320 0.000 0.000 0.217 348 A C 2.208 179.868 177.584 0.128 0.000 1.175 348 A CA 1.276 53.373 52.037 0.100 0.000 0.627 348 A CB -0.874 18.266 19.000 0.234 0.000 0.815 348 A HN 0.102 nan 8.150 nan 0.000 0.443 349 R N -0.571 119.945 120.500 0.027 0.000 2.062 349 R HA -0.070 4.270 4.340 0.000 0.000 0.231 349 R C 2.002 178.226 176.300 -0.126 0.000 1.136 349 R CA 1.531 57.621 56.100 -0.016 0.000 0.948 349 R CB -0.721 29.439 30.300 -0.233 0.000 0.845 349 R HN 0.363 nan 8.270 nan 0.000 0.430 350 V N 1.709 121.440 119.914 -0.305 0.000 2.343 350 V HA -0.245 3.875 4.120 0.000 0.000 0.247 350 V C 1.953 178.122 176.094 0.124 0.000 1.051 350 V CA 2.162 64.349 62.300 -0.187 0.000 1.036 350 V CB -0.624 31.109 31.823 -0.150 0.000 0.654 350 V HN 0.346 nan 8.190 nan 0.000 0.451 351 D N 0.619 121.061 120.400 0.070 0.000 2.104 351 D HA -0.180 4.460 4.640 0.000 0.000 0.194 351 D C 2.117 178.547 176.300 0.217 0.000 0.994 351 D CA 1.700 55.775 54.000 0.125 0.000 0.830 351 D CB -0.187 40.647 40.800 0.057 0.000 0.959 351 D HN 0.353 nan 8.370 nan 0.000 0.452 352 A N 0.533 123.460 122.820 0.177 0.000 1.877 352 A HA 0.008 4.328 4.320 0.000 0.000 0.216 352 A C 2.435 180.170 177.584 0.252 0.000 1.186 352 A CA 2.370 54.513 52.037 0.176 0.000 0.620 352 A CB -1.276 17.802 19.000 0.129 0.000 0.822 352 A HN 0.369 nan 8.150 nan 0.000 0.443 353 A N -1.772 121.260 122.820 0.355 0.000 1.908 353 A HA -0.212 4.108 4.320 0.000 0.000 0.218 353 A C 2.015 179.914 177.584 0.525 0.000 1.181 353 A CA 1.630 53.956 52.037 0.482 0.000 0.627 353 A CB -0.909 18.562 19.000 0.785 0.000 0.818 353 A HN 0.824 nan 8.150 nan 0.000 0.445 354 W N 0.465 121.994 121.300 0.383 0.000 2.381 354 W HA -0.157 4.503 4.660 -0.000 0.000 0.301 354 W C 2.500 179.151 176.519 0.219 0.000 1.205 354 W CA 1.891 59.423 57.345 0.311 0.000 1.285 354 W CB -0.182 29.320 29.460 0.070 0.000 1.133 354 W HN 0.455 nan 8.180 nan 0.000 0.521 355 Q N -0.094 119.910 119.800 0.341 0.000 2.112 355 Q HA -0.257 4.083 4.340 0.000 0.000 0.206 355 Q C 2.100 178.112 176.000 0.020 0.000 0.987 355 Q CA 2.300 58.203 55.803 0.166 0.000 0.858 355 Q CB -0.545 28.291 28.738 0.163 0.000 0.905 355 Q HN 0.412 nan 8.270 nan 0.000 0.420 356 I N 0.263 120.868 120.570 0.059 0.000 2.163 356 I HA -0.274 3.896 4.170 0.000 0.000 0.240 356 I C 2.182 178.292 176.117 -0.012 0.000 1.081 356 I CA 1.033 62.347 61.300 0.023 0.000 1.353 356 I CB -0.209 37.825 38.000 0.056 0.000 1.054 356 I HN 0.185 nan 8.210 nan 0.000 0.407 357 L N 0.323 121.550 121.223 0.007 0.000 2.093 357 L HA -0.188 4.152 4.340 0.000 0.000 0.208 357 L C 2.281 179.081 176.870 -0.117 0.000 1.085 357 L CA 1.292 56.120 54.840 -0.020 0.000 0.755 357 L CB -0.777 41.312 42.059 0.050 0.000 0.904 357 L HN 0.340 nan 8.230 nan 0.000 0.435 358 N N 0.642 119.130 118.700 -0.354 0.000 2.166 358 N HA -0.159 4.581 4.740 0.000 0.000 0.186 358 N C 1.774 177.175 175.510 -0.181 0.000 1.019 358 N CA 1.458 54.236 53.050 -0.453 0.000 0.856 358 N CB 0.000 37.732 38.487 -1.259 0.000 0.993 358 N HN 0.263 nan 8.380 nan 0.000 0.426 359 A N -0.166 122.574 122.820 -0.134 0.000 2.015 359 A HA 0.019 4.340 4.320 0.000 0.000 0.219 359 A C 1.985 179.557 177.584 -0.019 0.000 1.163 359 A CA 0.881 52.885 52.037 -0.054 0.000 0.646 359 A CB -0.376 18.599 19.000 -0.043 0.000 0.806 359 A HN 0.375 nan 8.150 nan 0.000 0.448 360 L N -0.665 120.557 121.223 -0.002 0.000 2.590 360 L HA 0.078 4.418 4.340 0.000 0.000 0.227 360 L C 1.225 178.184 176.870 0.148 0.000 1.099 360 L CA -0.149 54.735 54.840 0.073 0.000 0.872 360 L CB -0.223 41.891 42.059 0.091 0.000 1.088 360 L HN 0.590 nan 8.230 nan 0.000 0.479 361 Q N 0.000 119.843 119.800 0.072 0.000 2.315 361 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 361 Q CA 0.000 55.841 55.803 0.063 0.000 1.022 361 Q CB 0.000 28.791 28.738 0.088 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481