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 1gqy_1_B DATA FIRST_RESID 6 DATA SEQUENCE EEIRKIIPEM RRVQQIHFIG IGGAGMSGIA EILLNEGYQI SGSDIADGVV DATA SEQUENCE TQRLAQAGAK IYIGHAEEHI EGASVVVVSS AIKDDNPELV TSKQKRIPVI DATA SEQUENCE QRAQMLAEIM RFRHGIAVAG THGKTTTTAM ISMIYTQAKL DPTFVNGGLV DATA SEQUENCE KSAGKNAHLG ASRYLIAEAD ESDASFLHLQ PMVSVVTNME PDHMDTYEGD DATA SEQUENCE FEKMKATYVK FLHNLPFYGL AVMCADDPVL MELVPKVGRQ VITYGFSEQA DATA SEQUENCE DYRIEDYEQT GFQGHYTVIC PNNERINVLL NVPGKHNALN ATAALAVAKE DATA SEQUENCE EGIANEAILE ALADFQGAGR RFDQLGEFIR PNGKVRLVDD YGHHPTEVGV DATA SEQUENCE TIKAAREGWG DKRIVMIFQP HRYSRTRDLF DDFVQVLSQV DALIMLDVYA DATA SEQUENCE AGEAPIVGAD SKSLCRSIRN LGKVDPILVS DTSQLGDVLD QIIQDGDLIL DATA SEQUENCE AQGAGSVSKI SRGLAESWK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.580 176.600 -0.033 0.000 1.382 6 E CA 0.000 56.375 56.400 -0.042 0.000 0.976 6 E CB 0.000 29.665 29.700 -0.058 0.000 0.812 7 E N 0.563 120.747 120.200 -0.027 0.000 2.107 7 E HA -0.045 4.305 4.350 -0.001 0.000 0.191 7 E C 1.890 178.479 176.600 -0.018 0.000 0.982 7 E CA 0.947 57.335 56.400 -0.019 0.000 0.809 7 E CB 0.231 29.924 29.700 -0.012 0.000 0.756 7 E HN 0.470 nan 8.360 nan 0.000 0.459 8 I N 0.772 121.328 120.570 -0.024 0.000 2.353 8 I HA -0.197 3.972 4.170 -0.001 0.000 0.248 8 I C 2.374 178.478 176.117 -0.021 0.000 1.119 8 I CA 1.039 62.328 61.300 -0.019 0.000 1.417 8 I CB 0.097 38.083 38.000 -0.023 0.000 1.078 8 I HN -0.041 nan 8.210 nan 0.000 0.421 9 R N 1.332 121.811 120.500 -0.036 0.000 2.189 9 R HA -0.195 4.145 4.340 -0.001 0.000 0.223 9 R C 2.118 178.394 176.300 -0.041 0.000 1.092 9 R CA 1.105 57.179 56.100 -0.042 0.000 0.989 9 R CB -0.165 30.102 30.300 -0.055 0.000 0.876 9 R HN 0.354 nan 8.270 nan 0.000 0.457 10 K N 0.085 120.466 120.400 -0.033 0.000 2.515 10 K HA -0.021 4.299 4.320 -0.001 0.000 0.196 10 K C 1.403 177.985 176.600 -0.031 0.000 1.038 10 K CA 0.626 56.895 56.287 -0.031 0.000 0.967 10 K CB 0.271 32.758 32.500 -0.022 0.000 0.780 10 K HN 0.235 nan 8.250 nan 0.000 0.483 11 I N -0.093 120.462 120.570 -0.026 0.000 4.033 11 I HA 0.082 4.252 4.170 -0.001 0.000 0.296 11 I C 0.026 176.129 176.117 -0.024 0.000 1.210 11 I CA -0.041 61.247 61.300 -0.019 0.000 1.341 11 I CB 0.676 38.676 38.000 -0.000 0.000 1.369 11 I HN -0.077 nan 8.210 nan 0.000 0.453 12 I N 3.691 124.254 120.570 -0.012 0.000 2.355 12 I HA 0.349 4.518 4.170 -0.001 0.000 0.288 12 I C -2.412 173.692 176.117 -0.023 0.000 0.999 12 I CA -2.632 58.674 61.300 0.010 0.000 1.163 12 I CB 0.642 38.682 38.000 0.066 0.000 1.316 12 I HN -0.184 nan 8.210 nan 0.000 0.454 13 P HA 0.176 nan 4.420 nan 0.000 0.274 13 P C -0.377 176.941 177.300 0.031 0.000 1.231 13 P CA -0.366 62.681 63.100 -0.089 0.000 0.790 13 P CB 0.560 32.117 31.700 -0.238 0.000 0.951 14 E N 2.471 122.695 120.200 0.039 0.000 2.343 14 E HA 0.291 4.641 4.350 -0.001 0.000 0.269 14 E C -0.326 176.377 176.600 0.171 0.000 1.047 14 E CA -0.574 55.905 56.400 0.133 0.000 0.874 14 E CB 0.465 30.191 29.700 0.044 0.000 1.033 14 E HN 0.369 nan 8.360 nan 0.000 0.409 15 M N 2.229 121.994 119.600 0.275 0.000 2.219 15 M HA 0.124 4.603 4.480 -0.001 0.000 0.353 15 M C 0.593 176.977 176.300 0.140 0.000 1.304 15 M CA -0.024 55.382 55.300 0.176 0.000 1.115 15 M CB 0.428 33.090 32.600 0.103 0.000 1.664 15 M HN 0.412 nan 8.290 nan 0.000 0.459 16 R N 3.461 124.018 120.500 0.095 0.000 2.480 16 R HA -0.027 4.312 4.340 -0.001 0.000 0.303 16 R C 0.186 176.525 176.300 0.065 0.000 0.985 16 R CA 0.585 56.727 56.100 0.071 0.000 1.051 16 R CB 0.226 30.559 30.300 0.054 0.000 0.935 16 R HN 0.703 nan 8.270 nan 0.000 0.410 17 R N 0.663 121.203 120.500 0.067 0.000 4.000 17 R HA -0.164 4.176 4.340 -0.001 0.000 0.362 17 R C -0.618 175.726 176.300 0.074 0.000 1.183 17 R CA 0.943 57.078 56.100 0.059 0.000 1.011 17 R CB -2.195 28.128 30.300 0.038 0.000 1.501 17 R HN 0.365 nan 8.270 nan 0.000 0.553 18 V N 1.920 121.901 119.914 0.112 0.000 2.408 18 V HA 0.052 4.171 4.120 -0.001 0.000 0.267 18 V C 1.646 177.869 176.094 0.216 0.000 1.047 18 V CA 0.592 62.958 62.300 0.110 0.000 0.937 18 V CB 1.497 33.334 31.823 0.025 0.000 0.999 18 V HN 0.284 nan 8.190 nan 0.000 0.472 19 Q N 4.144 124.037 119.800 0.155 0.000 2.462 19 Q HA 0.205 4.544 4.340 -0.001 0.000 0.224 19 Q C 0.739 176.855 176.000 0.193 0.000 0.911 19 Q CA 0.196 56.105 55.803 0.177 0.000 0.925 19 Q CB 0.694 29.492 28.738 0.100 0.000 1.063 19 Q HN 0.764 nan 8.270 nan 0.000 0.572 20 Q N 0.865 120.740 119.800 0.125 0.000 2.323 20 Q HA 0.488 4.827 4.340 -0.001 0.000 0.271 20 Q C -1.618 174.423 176.000 0.068 0.000 1.048 20 Q CA -0.488 55.386 55.803 0.118 0.000 0.792 20 Q CB 1.798 30.599 28.738 0.106 0.000 1.280 20 Q HN 0.321 nan 8.270 nan 0.000 0.441 21 I N 3.092 123.705 120.570 0.070 0.000 2.362 21 I HA 0.281 4.451 4.170 -0.001 0.000 0.289 21 I C -0.681 175.462 176.117 0.044 0.000 0.994 21 I CA -0.849 60.429 61.300 -0.037 0.000 1.158 21 I CB 1.322 39.242 38.000 -0.134 0.000 1.315 21 I HN 0.628 nan 8.210 nan 0.000 0.451 22 H N 6.316 125.309 119.070 -0.130 0.000 2.459 22 H HA 0.509 5.065 4.556 -0.001 0.000 0.332 22 H C -1.575 173.661 175.328 -0.154 0.000 1.094 22 H CA -0.499 55.539 56.048 -0.018 0.000 1.224 22 H CB 0.903 30.680 29.762 0.025 0.000 1.449 22 H HN 0.289 nan 8.280 nan 0.000 0.484 23 F N 5.714 125.345 119.950 -0.531 0.000 2.388 23 F HA 0.321 4.848 4.527 -0.001 0.000 0.358 23 F C -0.086 175.447 175.800 -0.446 0.000 1.122 23 F CA -0.680 57.106 58.000 -0.357 0.000 1.056 23 F CB 0.805 39.700 39.000 -0.175 0.000 1.155 23 F HN 0.419 nan 8.300 nan 0.000 0.461 24 I N 3.548 124.043 120.570 -0.125 0.000 2.291 24 I HA 0.404 4.573 4.170 -0.001 0.000 0.292 24 I C 0.748 176.918 176.117 0.089 0.000 1.064 24 I CA -0.291 61.013 61.300 0.007 0.000 1.269 24 I CB 0.486 38.480 38.000 -0.011 0.000 1.418 24 I HN 0.879 nan 8.210 nan 0.000 0.485 25 G N 5.248 114.167 108.800 0.199 0.000 2.270 25 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.224 25 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.224 25 G C 0.476 175.444 174.900 0.113 0.000 1.079 25 G CA -0.188 45.015 45.100 0.172 0.000 0.807 25 G HN 0.730 nan 8.290 nan 0.000 0.492 26 I N -0.037 120.587 120.570 0.090 0.000 2.756 26 I HA 0.076 4.246 4.170 -0.001 0.000 0.262 26 I C 2.216 178.316 176.117 -0.029 0.000 1.225 26 I CA 1.744 63.049 61.300 0.008 0.000 1.472 26 I CB 0.032 38.003 38.000 -0.048 0.000 1.094 26 I HN 0.327 nan 8.210 nan 0.000 0.454 27 G N 0.190 108.995 108.800 0.007 0.000 2.880 27 G HA2 0.097 4.057 3.960 -0.001 0.000 0.209 27 G HA3 0.097 4.057 3.960 -0.001 0.000 0.209 27 G C 0.856 175.771 174.900 0.024 0.000 1.157 27 G CA 0.284 45.386 45.100 0.003 0.000 0.779 27 G HN 0.482 nan 8.290 nan 0.000 0.539 28 G N -0.020 108.805 108.800 0.042 0.000 2.636 28 G HA2 0.483 4.443 3.960 -0.001 0.000 0.246 28 G HA3 0.483 4.443 3.960 -0.001 0.000 0.246 28 G C 0.476 175.399 174.900 0.038 0.000 1.216 28 G CA 0.166 45.298 45.100 0.052 0.000 0.854 28 G HN 0.540 nan 8.290 nan 0.000 0.572 29 A N -0.348 122.500 122.820 0.048 0.000 2.567 29 A HA 0.496 4.816 4.320 -0.001 0.000 0.240 29 A C 1.745 179.346 177.584 0.029 0.000 1.053 29 A CA 1.289 53.349 52.037 0.039 0.000 0.755 29 A CB -0.441 18.590 19.000 0.051 0.000 0.978 29 A HN 2.619 nan 8.150 nan 0.000 0.507 30 G N 1.423 110.233 108.800 0.017 0.000 2.212 30 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.266 30 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.266 30 G C 0.934 175.843 174.900 0.014 0.000 0.978 30 G CA 0.833 45.944 45.100 0.019 0.000 0.632 30 G HN 0.570 nan 8.290 nan 0.000 0.537 31 M N 1.290 120.888 119.600 -0.003 0.000 2.160 31 M HA 0.012 4.492 4.480 -0.001 0.000 0.264 31 M C 2.977 179.143 176.300 -0.223 0.000 1.073 31 M CA 2.228 57.507 55.300 -0.035 0.000 1.142 31 M CB -1.267 31.333 32.600 0.001 0.000 1.358 31 M HN 0.661 nan 8.290 nan 0.000 0.422 32 S N 0.266 115.852 115.700 -0.190 0.000 2.383 32 S HA -0.093 4.377 4.470 -0.001 0.000 0.229 32 S C 2.078 176.566 174.600 -0.187 0.000 1.030 32 S CA 1.470 59.533 58.200 -0.229 0.000 1.002 32 S CB -1.376 61.743 63.200 -0.136 0.000 0.829 32 S HN 0.499 nan 8.310 nan 0.000 0.467 33 G N 1.889 110.627 108.800 -0.102 0.000 2.421 33 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.216 33 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.216 33 G C 1.431 176.294 174.900 -0.062 0.000 1.171 33 G CA 0.955 46.023 45.100 -0.053 0.000 0.775 33 G HN 0.563 nan 8.290 nan 0.000 0.543 34 I N 1.466 122.006 120.570 -0.050 0.000 2.226 34 I HA -0.159 4.011 4.170 -0.001 0.000 0.245 34 I C 3.292 179.389 176.117 -0.033 0.000 1.100 34 I CA 0.934 62.240 61.300 0.010 0.000 1.374 34 I CB -0.187 37.886 38.000 0.121 0.000 1.057 34 I HN 0.239 nan 8.210 nan 0.000 0.413 35 A N 0.304 122.931 122.820 -0.322 0.000 1.908 35 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 35 A C 2.271 179.759 177.584 -0.161 0.000 1.181 35 A CA 1.646 53.412 52.037 -0.450 0.000 0.627 35 A CB -0.501 17.919 19.000 -0.966 0.000 0.818 35 A HN 0.375 nan 8.150 nan 0.000 0.445 36 E N -0.253 119.859 120.200 -0.146 0.000 2.077 36 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 36 E C 2.060 178.628 176.600 -0.052 0.000 0.989 36 E CA 1.137 57.484 56.400 -0.088 0.000 0.800 36 E CB -0.320 29.328 29.700 -0.087 0.000 0.746 36 E HN 0.563 nan 8.360 nan 0.000 0.452 37 I N 1.011 121.556 120.570 -0.042 0.000 2.179 37 I HA -0.250 3.920 4.170 -0.001 0.000 0.242 37 I C 2.578 178.725 176.117 0.050 0.000 1.088 37 I CA 1.084 62.370 61.300 -0.023 0.000 1.357 37 I CB -1.170 36.826 38.000 -0.006 0.000 1.051 37 I HN 0.101 nan 8.210 nan 0.000 0.409 38 L N -0.251 121.034 121.223 0.103 0.000 2.141 38 L HA -0.173 4.166 4.340 -0.001 0.000 0.209 38 L C 2.609 179.632 176.870 0.254 0.000 1.094 38 L CA 0.748 55.725 54.840 0.229 0.000 0.763 38 L CB -0.475 41.690 42.059 0.176 0.000 0.908 38 L HN 0.227 nan 8.230 nan 0.000 0.437 39 L N 0.080 121.382 121.223 0.132 0.000 1.994 39 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 39 L C 2.352 179.252 176.870 0.049 0.000 1.071 39 L CA 1.633 56.526 54.840 0.088 0.000 0.745 39 L CB -0.381 41.694 42.059 0.027 0.000 0.892 39 L HN 0.441 nan 8.230 nan 0.000 0.431 40 N N -0.086 118.623 118.700 0.014 0.000 2.364 40 N HA -0.204 4.536 4.740 -0.001 0.000 0.183 40 N C 1.357 176.856 175.510 -0.018 0.000 1.022 40 N CA 1.131 54.169 53.050 -0.020 0.000 0.883 40 N CB -0.039 38.408 38.487 -0.067 0.000 0.965 40 N HN 0.532 nan 8.380 nan 0.000 0.438 41 E N -0.324 119.891 120.200 0.025 0.000 2.481 41 E HA 0.034 4.384 4.350 -0.001 0.000 0.195 41 E C 0.888 177.409 176.600 -0.131 0.000 1.047 41 E CA 0.236 56.630 56.400 -0.010 0.000 0.867 41 E CB 0.226 29.986 29.700 0.100 0.000 0.858 41 E HN 0.431 nan 8.360 nan 0.000 0.513 42 G N 0.495 109.243 108.800 -0.088 0.000 2.168 42 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.197 42 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.197 42 G C -0.223 174.580 174.900 -0.161 0.000 0.997 42 G CA -0.461 44.553 45.100 -0.144 0.000 0.658 42 G HN 0.184 nan 8.290 nan 0.000 0.513 43 Y N 1.245 121.562 120.300 0.028 0.000 2.301 43 Y HA 0.540 5.089 4.550 -0.001 0.000 0.328 43 Y C 1.001 176.930 175.900 0.048 0.000 1.242 43 Y CA -0.501 57.624 58.100 0.041 0.000 1.323 43 Y CB 0.659 39.154 38.460 0.057 0.000 1.266 43 Y HN 0.059 nan 8.280 nan 0.000 0.527 44 Q N 2.822 122.754 119.800 0.220 0.000 2.288 44 Q HA 0.323 4.662 4.340 -0.001 0.000 0.254 44 Q C -0.792 175.317 176.000 0.183 0.000 0.932 44 Q CA -0.111 55.784 55.803 0.154 0.000 0.902 44 Q CB 1.505 30.315 28.738 0.120 0.000 1.203 44 Q HN 0.429 nan 8.270 nan 0.000 0.415 45 I N 1.586 122.252 120.570 0.160 0.000 2.465 45 I HA 0.335 4.504 4.170 -0.001 0.000 0.291 45 I C 0.132 176.358 176.117 0.181 0.000 1.014 45 I CA -0.479 60.941 61.300 0.200 0.000 1.093 45 I CB 1.718 39.820 38.000 0.170 0.000 1.267 45 I HN 0.619 nan 8.210 nan 0.000 0.431 46 S N 3.649 119.510 115.700 0.269 0.000 2.634 46 S HA 1.012 5.481 4.470 -0.001 0.000 0.296 46 S C -0.411 174.376 174.600 0.311 0.000 1.104 46 S CA -0.751 57.625 58.200 0.293 0.000 0.920 46 S CB 2.854 66.315 63.200 0.435 0.000 1.111 46 S HN 1.025 nan 8.310 nan 0.000 0.493 47 G N 0.197 109.128 108.800 0.218 0.000 2.616 47 G HA2 0.581 4.541 3.960 -0.001 0.000 0.294 47 G HA3 0.581 4.541 3.960 -0.001 0.000 0.294 47 G C -1.157 173.829 174.900 0.143 0.000 1.489 47 G CA -0.272 44.866 45.100 0.063 0.000 0.836 47 G HN 1.481 nan 8.290 nan 0.000 0.527 48 S N 0.025 115.821 115.700 0.159 0.000 2.568 48 S HA 0.880 5.349 4.470 -0.001 0.000 0.293 48 S C -1.519 173.166 174.600 0.142 0.000 1.089 48 S CA -0.786 57.535 58.200 0.203 0.000 0.945 48 S CB 3.128 66.593 63.200 0.441 0.000 1.077 48 S HN 0.763 nan 8.310 nan 0.000 0.485 49 D N 0.053 120.426 120.400 -0.045 0.000 2.717 49 D HA 0.291 4.931 4.640 -0.001 0.000 0.223 49 D C 0.307 176.482 176.300 -0.208 0.000 1.240 49 D CA -0.545 53.419 54.000 -0.060 0.000 0.801 49 D CB 2.173 42.975 40.800 0.005 0.000 1.556 49 D HN 0.429 nan 8.370 nan 0.000 0.462 50 I N 1.822 122.309 120.570 -0.140 0.000 2.361 50 I HA 0.009 4.179 4.170 -0.001 0.000 0.251 50 I C 0.663 176.748 176.117 -0.053 0.000 1.133 50 I CA 1.217 62.452 61.300 -0.108 0.000 1.413 50 I CB -0.155 37.851 38.000 0.010 0.000 1.073 50 I HN 0.448 nan 8.210 nan 0.000 0.424 51 A N -0.750 122.053 122.820 -0.027 0.000 2.384 51 A HA 0.555 4.874 4.320 -0.001 0.000 0.312 51 A C -0.825 176.749 177.584 -0.017 0.000 1.113 51 A CA -0.679 51.349 52.037 -0.014 0.000 0.779 51 A CB 0.805 19.807 19.000 0.004 0.000 1.307 51 A HN 0.112 nan 8.150 nan 0.000 0.436 52 D N -0.826 119.565 120.400 -0.014 0.000 2.388 52 D HA 0.708 5.347 4.640 -0.001 0.000 0.254 52 D C 0.320 176.613 176.300 -0.011 0.000 1.111 52 D CA 1.022 55.012 54.000 -0.017 0.000 0.993 52 D CB 1.734 42.524 40.800 -0.016 0.000 1.118 52 D HN 1.071 nan 8.370 nan 0.000 0.502 53 G N -0.695 108.096 108.800 -0.015 0.000 2.315 53 G HA2 0.100 4.059 3.960 -0.001 0.000 0.294 53 G HA3 0.100 4.059 3.960 -0.001 0.000 0.294 53 G C 0.173 175.062 174.900 -0.018 0.000 1.300 53 G CA -0.081 45.013 45.100 -0.011 0.000 0.843 53 G HN 0.327 nan 8.290 nan 0.000 0.527 54 V N 0.139 120.044 119.914 -0.016 0.000 2.667 54 V HA -0.058 4.062 4.120 -0.001 0.000 0.252 54 V C 2.754 178.832 176.094 -0.026 0.000 1.065 54 V CA 1.904 64.192 62.300 -0.020 0.000 1.083 54 V CB -0.076 31.736 31.823 -0.018 0.000 0.692 54 V HN 0.527 nan 8.190 nan 0.000 0.468 55 V N -0.272 119.626 119.914 -0.026 0.000 2.239 55 V HA -0.240 3.880 4.120 -0.001 0.000 0.242 55 V C 2.575 178.640 176.094 -0.050 0.000 1.038 55 V CA 2.649 64.927 62.300 -0.036 0.000 1.002 55 V CB -1.017 30.786 31.823 -0.034 0.000 0.641 55 V HN 0.557 nan 8.190 nan 0.000 0.449 56 T N -0.357 114.169 114.554 -0.047 0.000 2.721 56 T HA -0.253 4.097 4.350 -0.001 0.000 0.268 56 T C 1.876 176.539 174.700 -0.062 0.000 1.038 56 T CA 1.503 63.569 62.100 -0.058 0.000 1.145 56 T CB -0.258 68.582 68.868 -0.045 0.000 0.858 56 T HN 0.388 nan 8.240 nan 0.000 0.459 57 Q N 0.131 119.901 119.800 -0.049 0.000 2.269 57 Q HA 0.169 4.509 4.340 -0.001 0.000 0.201 57 Q C 2.350 178.322 176.000 -0.046 0.000 0.946 57 Q CA 0.759 56.533 55.803 -0.048 0.000 0.877 57 Q CB -0.155 28.561 28.738 -0.036 0.000 0.963 57 Q HN 0.281 nan 8.270 nan 0.000 0.472 58 R N 0.205 120.679 120.500 -0.044 0.000 2.200 58 R HA 0.135 4.475 4.340 -0.001 0.000 0.208 58 R C 2.088 178.359 176.300 -0.050 0.000 1.033 58 R CA 0.315 56.391 56.100 -0.040 0.000 1.000 58 R CB -0.249 30.032 30.300 -0.032 0.000 0.906 58 R HN 0.175 nan 8.270 nan 0.000 0.462 59 L N -0.714 120.470 121.223 -0.066 0.000 2.109 59 L HA -0.030 4.309 4.340 -0.001 0.000 0.207 59 L C 2.206 179.033 176.870 -0.072 0.000 1.086 59 L CA 1.165 55.958 54.840 -0.079 0.000 0.760 59 L CB -0.419 41.574 42.059 -0.110 0.000 0.910 59 L HN 0.201 nan 8.230 nan 0.000 0.437 60 A N -0.326 122.450 122.820 -0.075 0.000 1.933 60 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 60 A C 2.190 179.742 177.584 -0.053 0.000 1.175 60 A CA 1.491 53.483 52.037 -0.074 0.000 0.628 60 A CB -0.389 18.561 19.000 -0.084 0.000 0.814 60 A HN 0.490 nan 8.150 nan 0.000 0.444 61 Q N -0.485 119.289 119.800 -0.043 0.000 2.050 61 Q HA -0.105 4.235 4.340 -0.001 0.000 0.202 61 Q C 2.374 178.357 176.000 -0.029 0.000 0.980 61 Q CA 1.430 57.214 55.803 -0.032 0.000 0.840 61 Q CB -0.458 28.265 28.738 -0.025 0.000 0.898 61 Q HN 0.664 nan 8.270 nan 0.000 0.424 62 A N 0.144 122.945 122.820 -0.032 0.000 2.024 62 A HA -0.022 4.298 4.320 -0.001 0.000 0.220 62 A C 1.738 179.308 177.584 -0.023 0.000 1.164 62 A CA 1.670 53.691 52.037 -0.027 0.000 0.643 62 A CB -0.428 18.552 19.000 -0.034 0.000 0.806 62 A HN 0.566 nan 8.150 nan 0.000 0.451 63 G N -3.568 105.215 108.800 -0.028 0.000 2.370 63 G HA2 0.312 4.271 3.960 -0.001 0.000 0.174 63 G HA3 0.312 4.271 3.960 -0.001 0.000 0.174 63 G C 0.229 175.117 174.900 -0.019 0.000 1.002 63 G CA 0.086 45.174 45.100 -0.019 0.000 0.730 63 G HN 1.375 nan 8.290 nan 0.000 0.497 64 A N 1.197 123.996 122.820 -0.034 0.000 2.316 64 A HA 0.653 4.972 4.320 -0.001 0.000 0.284 64 A C 0.481 178.016 177.584 -0.082 0.000 1.115 64 A CA -0.331 51.686 52.037 -0.033 0.000 0.812 64 A CB 0.466 19.439 19.000 -0.043 0.000 1.064 64 A HN 0.454 nan 8.150 nan 0.000 0.489 65 K N 3.271 123.616 120.400 -0.092 0.000 2.285 65 K HA 0.413 4.732 4.320 -0.001 0.000 0.286 65 K C -0.935 175.403 176.600 -0.436 0.000 1.072 65 K CA -0.189 55.941 56.287 -0.262 0.000 0.913 65 K CB 0.715 33.058 32.500 -0.262 0.000 1.067 65 K HN 0.413 nan 8.250 nan 0.000 0.479 66 I N 3.523 123.795 120.570 -0.496 0.000 2.412 66 I HA 0.317 4.486 4.170 -0.001 0.000 0.296 66 I C -0.572 175.160 176.117 -0.641 0.000 0.987 66 I CA -1.083 59.963 61.300 -0.424 0.000 1.180 66 I CB 0.531 38.398 38.000 -0.221 0.000 1.340 66 I HN 0.458 nan 8.210 nan 0.000 0.455 67 Y N 5.205 125.411 120.300 -0.157 0.000 2.409 67 Y HA 0.529 5.078 4.550 -0.001 0.000 0.343 67 Y C 0.178 175.961 175.900 -0.195 0.000 0.973 67 Y CA -0.801 57.132 58.100 -0.279 0.000 1.064 67 Y CB 1.765 39.742 38.460 -0.805 0.000 1.207 67 Y HN 0.321 nan 8.280 nan 0.000 0.452 68 I N 3.191 123.773 120.570 0.021 0.000 2.342 68 I HA 0.616 4.785 4.170 -0.001 0.000 0.291 68 I C 0.587 176.707 176.117 0.005 0.000 1.010 68 I CA -0.049 61.242 61.300 -0.015 0.000 1.308 68 I CB 0.730 38.725 38.000 -0.008 0.000 1.400 68 I HN 0.834 nan 8.210 nan 0.000 0.488 69 G N 4.747 113.487 108.800 -0.101 0.000 2.690 69 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.686 69 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.686 69 G C -0.986 173.896 174.900 -0.031 0.000 1.277 69 G CA -0.952 44.097 45.100 -0.085 0.000 0.799 69 G HN 0.663 nan 8.290 nan 0.000 0.613 70 H N -0.039 119.151 119.070 0.200 0.000 2.459 70 H HA 0.801 5.357 4.556 -0.001 0.000 0.332 70 H C 0.499 175.837 175.328 0.017 0.000 1.094 70 H CA 0.400 56.570 56.048 0.204 0.000 1.224 70 H CB 1.630 31.469 29.762 0.128 0.000 1.449 70 H HN 1.469 nan 8.280 nan 0.000 0.484 71 A N 2.263 125.030 122.820 -0.089 0.000 2.566 71 A HA 0.217 4.537 4.320 -0.001 0.000 0.297 71 A C 1.136 178.493 177.584 -0.380 0.000 1.059 71 A CA -0.526 51.306 52.037 -0.343 0.000 0.691 71 A CB 1.161 19.812 19.000 -0.580 0.000 1.282 71 A HN 0.831 nan 8.150 nan 0.000 0.401 72 E N 1.689 121.757 120.200 -0.219 0.000 2.209 72 E HA -0.255 4.095 4.350 -0.001 0.000 0.196 72 E C 1.055 177.533 176.600 -0.203 0.000 0.993 72 E CA 1.557 57.860 56.400 -0.161 0.000 0.819 72 E CB -0.096 29.541 29.700 -0.106 0.000 0.745 72 E HN 0.737 nan 8.360 nan 0.000 0.477 73 E N 1.082 121.111 120.200 -0.284 0.000 2.409 73 E HA -0.217 4.133 4.350 -0.001 0.000 0.198 73 E C 1.263 177.729 176.600 -0.223 0.000 1.024 73 E CA 1.084 57.346 56.400 -0.231 0.000 0.861 73 E CB -0.704 28.873 29.700 -0.205 0.000 0.788 73 E HN 0.671 nan 8.360 nan 0.000 0.521 74 H N 1.265 120.157 119.070 -0.297 0.000 2.521 74 H HA 0.055 4.611 4.556 -0.001 0.000 0.286 74 H C 2.094 177.190 175.328 -0.386 0.000 1.034 74 H CA 0.981 56.779 56.048 -0.417 0.000 1.278 74 H CB -0.121 29.486 29.762 -0.258 0.000 1.386 74 H HN 0.321 nan 8.280 nan 0.000 0.567 75 I N -0.694 119.710 120.570 -0.275 0.000 3.810 75 I HA 0.116 4.285 4.170 -0.001 0.000 0.322 75 I C -0.127 175.870 176.117 -0.201 0.000 1.288 75 I CA 0.005 61.050 61.300 -0.425 0.000 1.143 75 I CB -0.015 37.809 38.000 -0.293 0.000 1.012 75 I HN -0.025 nan 8.210 nan 0.000 0.423 76 E N 2.393 122.522 120.200 -0.118 0.000 2.415 76 E HA 0.204 4.553 4.350 -0.001 0.000 0.260 76 E C 1.215 177.806 176.600 -0.015 0.000 1.016 76 E CA 0.872 57.241 56.400 -0.052 0.000 0.924 76 E CB 0.412 30.095 29.700 -0.028 0.000 0.961 76 E HN 0.640 nan 8.360 nan 0.000 0.459 77 G N 2.559 111.353 108.800 -0.010 0.000 2.176 77 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.253 77 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.253 77 G C 0.380 175.292 174.900 0.020 0.000 0.979 77 G CA -0.032 45.076 45.100 0.013 0.000 0.641 77 G HN 0.781 nan 8.290 nan 0.000 0.530 78 A N 0.321 123.142 122.820 0.003 0.000 2.477 78 A HA 0.686 5.005 4.320 -0.001 0.000 0.246 78 A C 1.430 179.020 177.584 0.011 0.000 1.078 78 A CA 1.175 53.224 52.037 0.020 0.000 0.770 78 A CB 0.479 19.486 19.000 0.011 0.000 1.011 78 A HN 0.980 nan 8.150 nan 0.000 0.494 79 S N 0.521 116.229 115.700 0.014 0.000 2.486 79 S HA 0.266 4.735 4.470 -0.001 0.000 0.220 79 S C 0.455 175.040 174.600 -0.024 0.000 1.011 79 S CA 0.644 58.845 58.200 0.001 0.000 0.921 79 S CB 0.083 63.292 63.200 0.014 0.000 0.785 79 S HN 1.081 nan 8.310 nan 0.000 0.517 80 V N 0.878 120.766 119.914 -0.042 0.000 3.147 80 V HA 0.545 4.664 4.120 -0.001 0.000 0.299 80 V C -2.031 174.008 176.094 -0.091 0.000 1.302 80 V CA -0.666 61.589 62.300 -0.075 0.000 1.015 80 V CB 2.266 34.021 31.823 -0.113 0.000 1.086 80 V HN -0.041 nan 8.190 nan 0.000 0.437 81 V N 5.658 125.515 119.914 -0.094 0.000 2.487 81 V HA 0.594 4.713 4.120 -0.001 0.000 0.298 81 V C -0.450 175.531 176.094 -0.187 0.000 1.028 81 V CA -0.528 61.718 62.300 -0.091 0.000 0.860 81 V CB 1.979 33.810 31.823 0.015 0.000 0.991 81 V HN 0.702 nan 8.190 nan 0.000 0.427 82 V N 5.829 125.539 119.914 -0.340 0.000 2.398 82 V HA 0.572 4.692 4.120 -0.001 0.000 0.286 82 V C -0.106 175.892 176.094 -0.160 0.000 1.026 82 V CA -0.573 61.534 62.300 -0.322 0.000 0.868 82 V CB 1.810 33.267 31.823 -0.610 0.000 0.982 82 V HN 0.728 nan 8.190 nan 0.000 0.443 83 V N 2.122 121.989 119.914 -0.078 0.000 2.667 83 V HA 0.854 4.974 4.120 -0.001 0.000 0.308 83 V C 0.252 176.350 176.094 0.007 0.000 1.048 83 V CA -0.532 61.752 62.300 -0.027 0.000 0.928 83 V CB 1.702 33.506 31.823 -0.031 0.000 1.004 83 V HN 0.904 nan 8.190 nan 0.000 0.444 84 S N 2.317 118.036 115.700 0.031 0.000 2.632 84 S HA 0.272 4.741 4.470 -0.001 0.000 0.267 84 S C 1.458 176.072 174.600 0.022 0.000 1.276 84 S CA 0.162 58.387 58.200 0.041 0.000 0.998 84 S CB 1.234 64.469 63.200 0.059 0.000 0.953 84 S HN 1.764 nan 8.310 nan 0.000 0.547 85 S N 1.652 117.366 115.700 0.023 0.000 2.387 85 S HA -0.163 4.306 4.470 -0.001 0.000 0.230 85 S C 2.007 176.619 174.600 0.019 0.000 1.035 85 S CA 1.018 59.228 58.200 0.016 0.000 1.014 85 S CB -1.387 61.823 63.200 0.017 0.000 0.836 85 S HN 1.214 nan 8.310 nan 0.000 0.466 86 A N 1.446 124.282 122.820 0.028 0.000 2.067 86 A HA 0.209 4.529 4.320 -0.001 0.000 0.219 86 A C 0.954 178.549 177.584 0.019 0.000 1.158 86 A CA 0.374 52.429 52.037 0.029 0.000 0.661 86 A CB -0.679 18.348 19.000 0.044 0.000 0.801 86 A HN 0.476 nan 8.150 nan 0.000 0.452 87 I N 0.920 121.495 120.570 0.007 0.000 2.710 87 I HA 0.056 4.225 4.170 -0.001 0.000 0.286 87 I C 0.474 176.581 176.117 -0.016 0.000 1.181 87 I CA 0.364 61.654 61.300 -0.017 0.000 1.430 87 I CB -0.041 37.937 38.000 -0.037 0.000 1.367 87 I HN 0.236 nan 8.210 nan 0.000 0.577 88 K N 4.906 125.292 120.400 -0.022 0.000 2.118 88 K HA 0.219 4.539 4.320 -0.001 0.000 0.254 88 K C 0.633 177.219 176.600 -0.023 0.000 0.961 88 K CA -0.786 55.492 56.287 -0.015 0.000 0.876 88 K CB 1.299 33.794 32.500 -0.007 0.000 1.077 88 K HN 0.396 nan 8.250 nan 0.000 0.440 89 D N 1.686 122.077 120.400 -0.016 0.000 2.271 89 D HA -0.180 4.460 4.640 -0.001 0.000 0.207 89 D C 0.634 176.923 176.300 -0.019 0.000 0.983 89 D CA 1.591 55.581 54.000 -0.016 0.000 0.878 89 D CB -0.035 40.758 40.800 -0.010 0.000 0.920 89 D HN 0.607 nan 8.370 nan 0.000 0.479 90 D N -0.521 119.869 120.400 -0.017 0.000 2.319 90 D HA -0.069 4.570 4.640 -0.001 0.000 0.230 90 D C 0.458 176.745 176.300 -0.022 0.000 1.094 90 D CA -0.345 53.646 54.000 -0.015 0.000 0.856 90 D CB -0.565 40.231 40.800 -0.008 0.000 0.915 90 D HN -0.105 nan 8.370 nan 0.000 0.517 91 N N 1.764 120.440 118.700 -0.040 0.000 2.452 91 N HA 0.013 4.752 4.740 -0.001 0.000 0.266 91 N C -1.260 174.221 175.510 -0.049 0.000 1.175 91 N CA -1.367 51.642 53.050 -0.068 0.000 0.945 91 N CB 1.458 39.861 38.487 -0.141 0.000 1.063 91 N HN -0.056 nan 8.380 nan 0.000 0.472 92 P HA -0.164 nan 4.420 nan 0.000 0.216 92 P C 0.514 177.797 177.300 -0.028 0.000 1.150 92 P CA 1.504 64.590 63.100 -0.023 0.000 0.843 92 P CB 0.470 32.163 31.700 -0.012 0.000 0.787 93 E N -0.700 119.488 120.200 -0.019 0.000 2.072 93 E HA -0.128 4.222 4.350 -0.001 0.000 0.190 93 E C 2.112 178.709 176.600 -0.005 0.000 0.982 93 E CA 0.459 56.862 56.400 0.004 0.000 0.803 93 E CB -0.586 29.172 29.700 0.097 0.000 0.755 93 E HN 0.081 nan 8.360 nan 0.000 0.453 94 L N 0.885 122.092 121.223 -0.027 0.000 1.994 94 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 94 L C 2.245 179.102 176.870 -0.022 0.000 1.071 94 L CA 1.492 56.318 54.840 -0.024 0.000 0.745 94 L CB -0.588 41.447 42.059 -0.040 0.000 0.892 94 L HN -0.041 nan 8.230 nan 0.000 0.431 95 V N -0.518 119.381 119.914 -0.026 0.000 2.282 95 V HA -0.359 3.760 4.120 -0.001 0.000 0.249 95 V C 2.472 178.551 176.094 -0.024 0.000 1.057 95 V CA 2.381 64.667 62.300 -0.023 0.000 1.032 95 V CB -1.294 30.515 31.823 -0.023 0.000 0.645 95 V HN 0.572 nan 8.190 nan 0.000 0.447 96 T N -0.519 114.018 114.554 -0.029 0.000 2.746 96 T HA -0.179 4.170 4.350 -0.001 0.000 0.267 96 T C 2.144 176.826 174.700 -0.030 0.000 1.039 96 T CA 1.703 63.783 62.100 -0.033 0.000 1.142 96 T CB -0.315 68.526 68.868 -0.046 0.000 0.866 96 T HN 0.482 nan 8.240 nan 0.000 0.444 97 S N 1.313 116.997 115.700 -0.026 0.000 2.359 97 S HA -0.159 4.311 4.470 -0.001 0.000 0.223 97 S C 2.043 176.631 174.600 -0.020 0.000 1.039 97 S CA 1.321 59.508 58.200 -0.022 0.000 1.042 97 S CB -0.292 62.903 63.200 -0.009 0.000 0.915 97 S HN 0.506 nan 8.310 nan 0.000 0.439 98 K N 0.665 121.054 120.400 -0.019 0.000 2.218 98 K HA -0.155 4.165 4.320 -0.001 0.000 0.205 98 K C 2.318 178.909 176.600 -0.016 0.000 1.046 98 K CA 1.301 57.578 56.287 -0.017 0.000 0.933 98 K CB -0.129 32.361 32.500 -0.016 0.000 0.728 98 K HN 0.463 nan 8.250 nan 0.000 0.454 99 Q N -0.015 119.774 119.800 -0.018 0.000 2.250 99 Q HA 0.006 4.346 4.340 -0.001 0.000 0.200 99 Q C 1.279 177.269 176.000 -0.017 0.000 0.941 99 Q CA 0.642 56.435 55.803 -0.017 0.000 0.872 99 Q CB 0.362 29.089 28.738 -0.019 0.000 0.965 99 Q HN 0.125 nan 8.270 nan 0.000 0.480 100 K N 0.470 120.858 120.400 -0.020 0.000 2.525 100 K HA 0.076 4.396 4.320 -0.001 0.000 0.192 100 K C -0.045 176.546 176.600 -0.015 0.000 1.029 100 K CA 0.136 56.412 56.287 -0.019 0.000 1.029 100 K CB 0.397 32.883 32.500 -0.023 0.000 0.814 100 K HN 0.107 nan 8.250 nan 0.000 0.503 101 R N 0.461 120.952 120.500 -0.014 0.000 3.532 101 R HA -0.142 4.198 4.340 -0.001 0.000 0.284 101 R C -0.501 175.792 176.300 -0.013 0.000 1.140 101 R CA 0.517 56.610 56.100 -0.012 0.000 0.768 101 R CB -2.438 27.856 30.300 -0.009 0.000 1.252 101 R HN 0.256 nan 8.270 nan 0.000 0.454 102 I N 2.126 122.687 120.570 -0.016 0.000 2.331 102 I HA 0.222 4.392 4.170 -0.001 0.000 0.292 102 I C -1.599 174.504 176.117 -0.022 0.000 0.998 102 I CA -2.247 59.042 61.300 -0.018 0.000 1.267 102 I CB 1.172 39.160 38.000 -0.020 0.000 1.386 102 I HN -0.234 nan 8.210 nan 0.000 0.476 103 P HA -0.004 nan 4.420 nan 0.000 0.262 103 P C -0.730 176.542 177.300 -0.046 0.000 1.182 103 P CA 0.092 63.172 63.100 -0.034 0.000 0.761 103 P CB 0.405 32.082 31.700 -0.038 0.000 0.795 104 V N 5.481 125.367 119.914 -0.046 0.000 2.378 104 V HA 0.435 4.554 4.120 -0.001 0.000 0.288 104 V C 0.444 176.497 176.094 -0.069 0.000 1.016 104 V CA -0.517 61.750 62.300 -0.055 0.000 0.840 104 V CB 1.075 32.876 31.823 -0.038 0.000 0.994 104 V HN 0.429 nan 8.190 nan 0.000 0.431 105 I N 1.677 122.189 120.570 -0.097 0.000 2.740 105 I HA 0.647 4.817 4.170 -0.001 0.000 0.303 105 I C -0.191 175.863 176.117 -0.105 0.000 1.044 105 I CA -0.872 60.362 61.300 -0.110 0.000 1.064 105 I CB 1.989 39.907 38.000 -0.138 0.000 1.249 105 I HN 0.455 nan 8.210 nan 0.000 0.433 106 Q N 3.065 122.804 119.800 -0.102 0.000 2.417 106 Q HA 0.201 4.541 4.340 -0.001 0.000 0.241 106 Q C 0.862 176.820 176.000 -0.070 0.000 1.008 106 Q CA -0.509 55.250 55.803 -0.074 0.000 0.901 106 Q CB 1.346 30.046 28.738 -0.063 0.000 1.259 106 Q HN 0.586 nan 8.270 nan 0.000 0.489 107 R N 1.544 122.030 120.500 -0.024 0.000 2.083 107 R HA -0.192 4.148 4.340 -0.001 0.000 0.237 107 R C 1.718 178.022 176.300 0.006 0.000 1.137 107 R CA 1.990 58.100 56.100 0.016 0.000 0.951 107 R CB -0.665 29.663 30.300 0.047 0.000 0.851 107 R HN 0.802 nan 8.270 nan 0.000 0.434 108 A N 0.622 123.441 122.820 -0.002 0.000 2.019 108 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 108 A C 2.104 179.674 177.584 -0.023 0.000 1.164 108 A CA 1.539 53.586 52.037 0.017 0.000 0.644 108 A CB -0.434 18.597 19.000 0.051 0.000 0.805 108 A HN 0.573 nan 8.150 nan 0.000 0.449 109 Q N -1.567 118.159 119.800 -0.123 0.000 2.123 109 Q HA -0.127 4.212 4.340 -0.001 0.000 0.199 109 Q C 1.954 177.884 176.000 -0.118 0.000 0.966 109 Q CA 1.631 57.294 55.803 -0.234 0.000 0.845 109 Q CB -0.162 28.329 28.738 -0.412 0.000 0.907 109 Q HN 0.549 nan 8.270 nan 0.000 0.439 110 M N 0.178 119.730 119.600 -0.081 0.000 2.175 110 M HA -0.072 4.408 4.480 -0.001 0.000 0.264 110 M C 1.685 177.982 176.300 -0.004 0.000 1.063 110 M CA 1.037 56.306 55.300 -0.051 0.000 1.119 110 M CB -0.300 32.273 32.600 -0.045 0.000 1.377 110 M HN 0.378 nan 8.290 nan 0.000 0.415 111 L N 0.476 121.710 121.223 0.018 0.000 2.046 111 L HA 0.015 4.354 4.340 -0.001 0.000 0.208 111 L C 2.281 179.171 176.870 0.034 0.000 1.077 111 L CA 2.193 57.057 54.840 0.041 0.000 0.747 111 L CB -1.269 40.824 42.059 0.058 0.000 0.896 111 L HN 0.332 nan 8.230 nan 0.000 0.432 112 A N -0.963 121.873 122.820 0.027 0.000 1.972 112 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 112 A C 2.120 179.697 177.584 -0.011 0.000 1.169 112 A CA 1.582 53.635 52.037 0.026 0.000 0.635 112 A CB -0.508 18.533 19.000 0.067 0.000 0.810 112 A HN 0.521 nan 8.150 nan 0.000 0.446 113 E N -0.021 120.168 120.200 -0.019 0.000 2.106 113 E HA -0.093 4.256 4.350 -0.001 0.000 0.192 113 E C 1.900 178.503 176.600 0.005 0.000 0.984 113 E CA 0.798 57.183 56.400 -0.025 0.000 0.806 113 E CB -0.388 29.296 29.700 -0.026 0.000 0.750 113 E HN 0.742 nan 8.360 nan 0.000 0.458 114 I N 0.616 121.200 120.570 0.023 0.000 2.286 114 I HA -0.220 3.950 4.170 -0.001 0.000 0.248 114 I C 2.558 178.703 176.117 0.047 0.000 1.115 114 I CA 0.880 62.211 61.300 0.051 0.000 1.392 114 I CB -0.148 37.884 38.000 0.053 0.000 1.065 114 I HN 0.090 nan 8.210 nan 0.000 0.418 115 M N 0.293 119.905 119.600 0.019 0.000 2.419 115 M HA -0.143 4.336 4.480 -0.001 0.000 0.264 115 M C 2.350 178.617 176.300 -0.056 0.000 1.082 115 M CA 1.085 56.387 55.300 0.003 0.000 1.119 115 M CB -0.099 32.502 32.600 0.002 0.000 1.398 115 M HN 0.070 nan 8.290 nan 0.000 0.453 116 R N 0.194 120.616 120.500 -0.130 0.000 2.133 116 R HA -0.213 4.127 4.340 -0.001 0.000 0.245 116 R C 0.568 176.577 176.300 -0.485 0.000 1.137 116 R CA 2.171 58.050 56.100 -0.369 0.000 0.947 116 R CB -0.334 29.635 30.300 -0.552 0.000 0.865 116 R HN 0.381 nan 8.270 nan 0.000 0.437 117 F N 0.309 120.273 119.950 0.024 0.000 2.668 117 F HA 0.360 4.886 4.527 -0.001 0.000 0.297 117 F C 0.501 176.311 175.800 0.018 0.000 1.124 117 F CA -0.146 57.866 58.000 0.020 0.000 1.353 117 F CB 0.333 39.346 39.000 0.022 0.000 0.992 117 F HN -0.125 nan 8.300 nan 0.000 0.524 118 R N -1.262 119.308 120.500 0.115 0.000 2.856 118 R HA 0.311 4.651 4.340 -0.001 0.000 0.258 118 R C -0.764 175.581 176.300 0.076 0.000 1.066 118 R CA -1.114 55.041 56.100 0.093 0.000 1.045 118 R CB 1.052 31.405 30.300 0.089 0.000 1.178 118 R HN 0.037 nan 8.270 nan 0.000 0.499 119 H N -0.181 118.871 119.070 -0.030 0.000 2.969 119 H HA 0.255 4.810 4.556 -0.001 0.000 0.269 119 H C -0.248 175.110 175.328 0.050 0.000 1.223 119 H CA -0.044 55.998 56.048 -0.010 0.000 1.400 119 H CB 0.363 30.066 29.762 -0.097 0.000 1.500 119 H HN 0.707 nan 8.280 nan 0.000 0.486 120 G N 5.211 113.958 108.800 -0.088 0.000 2.353 120 G HA2 0.399 4.359 3.960 -0.001 0.000 0.284 120 G HA3 0.399 4.359 3.960 -0.001 0.000 0.284 120 G C -0.460 174.402 174.900 -0.063 0.000 1.172 120 G CA -0.650 44.432 45.100 -0.030 0.000 0.854 120 G HN 0.696 nan 8.290 nan 0.000 0.485 121 I N 2.228 122.804 120.570 0.009 0.000 2.390 121 I HA 0.420 4.590 4.170 -0.001 0.000 0.283 121 I C 0.469 176.597 176.117 0.018 0.000 1.016 121 I CA -0.566 60.728 61.300 -0.010 0.000 1.151 121 I CB 1.673 39.640 38.000 -0.055 0.000 1.293 121 I HN 0.514 nan 8.210 nan 0.000 0.458 122 A N 6.480 129.332 122.820 0.053 0.000 2.305 122 A HA 0.810 5.129 4.320 -0.001 0.000 0.322 122 A C -0.581 177.109 177.584 0.176 0.000 1.187 122 A CA -0.471 51.653 52.037 0.145 0.000 0.825 122 A CB 1.251 20.402 19.000 0.252 0.000 1.164 122 A HN 0.440 nan 8.150 nan 0.000 0.498 123 V N 1.815 121.823 119.914 0.157 0.000 2.407 123 V HA 0.701 4.820 4.120 -0.001 0.000 0.291 123 V C 0.376 176.559 176.094 0.148 0.000 1.018 123 V CA 0.121 62.504 62.300 0.137 0.000 0.842 123 V CB 0.831 32.692 31.823 0.063 0.000 0.996 123 V HN 1.306 nan 8.190 nan 0.000 0.426 124 A N 3.479 126.420 122.820 0.201 0.000 2.483 124 A HA 1.106 5.426 4.320 -0.001 0.000 0.286 124 A C 0.103 177.825 177.584 0.229 0.000 1.207 124 A CA -0.307 51.842 52.037 0.187 0.000 0.764 124 A CB 1.951 21.076 19.000 0.208 0.000 1.341 124 A HN 2.051 nan 8.150 nan 0.000 0.428 125 G N -2.022 106.941 108.800 0.270 0.000 2.347 125 G HA2 0.355 4.314 3.960 -0.001 0.000 0.477 125 G HA3 0.355 4.314 3.960 -0.001 0.000 0.477 125 G C 0.232 175.144 174.900 0.020 0.000 1.349 125 G CA 0.321 45.495 45.100 0.122 0.000 1.000 125 G HN 1.098 nan 8.290 nan 0.000 0.605 126 T N 0.455 114.918 114.554 -0.153 0.000 2.812 126 T HA 0.125 4.474 4.350 -0.001 0.000 0.264 126 T C 0.699 175.129 174.700 -0.448 0.000 1.042 126 T CA 1.822 63.684 62.100 -0.396 0.000 1.140 126 T CB -0.227 68.183 68.868 -0.763 0.000 0.870 126 T HN 0.604 nan 8.240 nan 0.000 0.445 127 H N -1.624 117.425 119.070 -0.035 0.000 2.806 127 H HA 0.496 5.052 4.556 -0.001 0.000 0.367 127 H C 0.941 176.281 175.328 0.020 0.000 1.136 127 H CA -0.260 55.766 56.048 -0.036 0.000 1.178 127 H CB 1.680 31.385 29.762 -0.094 0.000 1.718 127 H HN 0.318 nan 8.280 nan 0.000 0.540 128 G N 1.798 110.696 108.800 0.164 0.000 2.159 128 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.227 128 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.227 128 G C 1.135 176.083 174.900 0.079 0.000 0.986 128 G CA 0.394 45.568 45.100 0.124 0.000 0.651 128 G HN 0.552 nan 8.290 nan 0.000 0.523 129 K N -0.294 120.149 120.400 0.073 0.000 2.001 129 K HA -0.015 4.305 4.320 -0.001 0.000 0.208 129 K C 2.572 179.189 176.600 0.028 0.000 1.048 129 K CA 1.757 58.074 56.287 0.050 0.000 0.932 129 K CB -0.373 32.156 32.500 0.048 0.000 0.715 129 K HN 0.275 nan 8.250 nan 0.000 0.437 130 T N 0.863 115.430 114.554 0.021 0.000 2.746 130 T HA -0.125 4.225 4.350 -0.001 0.000 0.267 130 T C 1.919 176.626 174.700 0.012 0.000 1.039 130 T CA 1.777 63.874 62.100 -0.004 0.000 1.142 130 T CB -0.307 68.528 68.868 -0.056 0.000 0.866 130 T HN 0.289 nan 8.240 nan 0.000 0.444 131 T N 1.559 116.137 114.554 0.040 0.000 2.708 131 T HA -0.105 4.245 4.350 -0.001 0.000 0.266 131 T C 2.289 176.974 174.700 -0.025 0.000 1.037 131 T CA 1.655 63.798 62.100 0.072 0.000 1.146 131 T CB -0.686 68.240 68.868 0.098 0.000 0.865 131 T HN 0.375 nan 8.240 nan 0.000 0.435 132 T N 1.780 116.304 114.554 -0.049 0.000 2.746 132 T HA -0.109 4.241 4.350 -0.001 0.000 0.267 132 T C 2.286 176.915 174.700 -0.119 0.000 1.039 132 T CA 1.585 63.619 62.100 -0.111 0.000 1.142 132 T CB -0.692 68.134 68.868 -0.071 0.000 0.866 132 T HN 0.389 nan 8.240 nan 0.000 0.444 133 T N 1.992 116.504 114.554 -0.070 0.000 2.684 133 T HA -0.079 4.271 4.350 -0.001 0.000 0.267 133 T C 2.378 176.998 174.700 -0.132 0.000 1.036 133 T CA 1.263 63.318 62.100 -0.076 0.000 1.148 133 T CB -0.558 68.294 68.868 -0.027 0.000 0.863 133 T HN 0.443 nan 8.240 nan 0.000 0.436 134 A N 1.123 123.883 122.820 -0.100 0.000 1.902 134 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 134 A C 2.340 179.874 177.584 -0.084 0.000 1.181 134 A CA 1.595 53.584 52.037 -0.081 0.000 0.623 134 A CB -0.658 18.428 19.000 0.144 0.000 0.818 134 A HN 0.465 nan 8.150 nan 0.000 0.443 135 M N -0.749 118.694 119.600 -0.261 0.000 2.099 135 M HA -0.064 4.416 4.480 -0.001 0.000 0.262 135 M C 2.097 178.256 176.300 -0.235 0.000 1.067 135 M CA 1.477 56.488 55.300 -0.481 0.000 1.124 135 M CB -0.474 31.741 32.600 -0.641 0.000 1.353 135 M HN 0.388 nan 8.290 nan 0.000 0.410 136 I N -0.507 119.952 120.570 -0.185 0.000 2.163 136 I HA -0.286 3.884 4.170 -0.001 0.000 0.243 136 I C 2.412 178.486 176.117 -0.073 0.000 1.085 136 I CA 1.196 62.428 61.300 -0.112 0.000 1.347 136 I CB -0.442 37.458 38.000 -0.166 0.000 1.044 136 I HN 0.232 nan 8.210 nan 0.000 0.408 137 S N 0.396 116.007 115.700 -0.148 0.000 2.382 137 S HA -0.140 4.329 4.470 -0.001 0.000 0.228 137 S C 1.986 176.565 174.600 -0.035 0.000 1.027 137 S CA 1.259 59.377 58.200 -0.136 0.000 0.991 137 S CB -0.139 62.772 63.200 -0.482 0.000 0.823 137 S HN 0.315 nan 8.310 nan 0.000 0.469 138 M N 0.768 120.338 119.600 -0.050 0.000 2.200 138 M HA 0.089 4.569 4.480 -0.001 0.000 0.265 138 M C 2.046 178.368 176.300 0.037 0.000 1.066 138 M CA 1.076 56.388 55.300 0.020 0.000 1.127 138 M CB -1.278 31.380 32.600 0.097 0.000 1.379 138 M HN 0.290 nan 8.290 nan 0.000 0.420 139 I N -0.947 119.642 120.570 0.032 0.000 2.163 139 I HA -0.340 3.829 4.170 -0.001 0.000 0.243 139 I C 2.308 178.441 176.117 0.026 0.000 1.085 139 I CA 1.514 62.830 61.300 0.025 0.000 1.347 139 I CB -0.558 37.459 38.000 0.028 0.000 1.044 139 I HN 0.125 nan 8.210 nan 0.000 0.408 140 Y N 0.943 121.183 120.300 -0.100 0.000 2.224 140 Y HA -0.227 4.322 4.550 -0.001 0.000 0.289 140 Y C 2.880 178.740 175.900 -0.066 0.000 1.146 140 Y CA 1.593 59.615 58.100 -0.130 0.000 1.182 140 Y CB -1.144 37.214 38.460 -0.171 0.000 0.983 140 Y HN 0.129 nan 8.280 nan 0.000 0.524 141 T N -0.706 113.925 114.554 0.128 0.000 2.674 141 T HA -0.247 4.103 4.350 -0.001 0.000 0.265 141 T C 1.862 176.583 174.700 0.035 0.000 1.039 141 T CA 1.688 63.843 62.100 0.092 0.000 1.150 141 T CB -0.298 68.627 68.868 0.095 0.000 0.864 141 T HN 0.151 nan 8.240 nan 0.000 0.427 142 Q N 1.267 121.076 119.800 0.014 0.000 2.170 142 Q HA 0.110 4.450 4.340 -0.001 0.000 0.203 142 Q C 2.004 177.981 176.000 -0.039 0.000 0.976 142 Q CA 1.466 57.263 55.803 -0.010 0.000 0.858 142 Q CB -0.621 28.110 28.738 -0.011 0.000 0.907 142 Q HN 0.513 nan 8.270 nan 0.000 0.433 143 A N -0.288 122.484 122.820 -0.080 0.000 2.235 143 A HA 0.021 4.341 4.320 -0.001 0.000 0.208 143 A C 0.076 177.612 177.584 -0.081 0.000 1.172 143 A CA 0.624 52.590 52.037 -0.118 0.000 0.786 143 A CB -0.082 18.774 19.000 -0.240 0.000 0.804 143 A HN 0.273 nan 8.150 nan 0.000 0.479 144 K N -2.001 118.378 120.400 -0.035 0.000 3.291 144 K HA -0.165 4.155 4.320 -0.001 0.000 0.290 144 K C 0.345 176.956 176.600 0.019 0.000 1.235 144 K CA 1.001 57.288 56.287 0.001 0.000 0.848 144 K CB -2.570 29.929 32.500 -0.002 0.000 1.295 144 K HN 0.564 nan 8.250 nan 0.000 0.497 145 L N 0.109 121.338 121.223 0.010 0.000 2.592 145 L HA 0.057 4.396 4.340 -0.001 0.000 0.227 145 L C 0.481 177.457 176.870 0.178 0.000 1.127 145 L CA 0.021 54.895 54.840 0.057 0.000 0.884 145 L CB -0.058 41.918 42.059 -0.138 0.000 1.065 145 L HN 0.185 nan 8.230 nan 0.000 0.457 146 D N 1.016 121.512 120.400 0.160 0.000 2.802 146 D HA -0.127 4.512 4.640 -0.001 0.000 0.229 146 D C -2.111 174.346 176.300 0.262 0.000 1.203 146 D CA 0.014 54.135 54.000 0.202 0.000 0.712 146 D CB 0.056 40.955 40.800 0.165 0.000 0.973 146 D HN 0.156 nan 8.370 nan 0.000 0.407 147 P HA 0.128 nan 4.420 nan 0.000 0.274 147 P C -0.125 177.351 177.300 0.293 0.000 1.231 147 P CA -0.300 62.998 63.100 0.331 0.000 0.790 147 P CB 0.908 32.789 31.700 0.302 0.000 0.951 148 T N 2.892 117.572 114.554 0.210 0.000 2.897 148 T HA 0.501 4.850 4.350 -0.001 0.000 0.294 148 T C 0.001 174.809 174.700 0.181 0.000 1.004 148 T CA 0.171 62.325 62.100 0.090 0.000 1.106 148 T CB -0.235 68.657 68.868 0.040 0.000 0.949 148 T HN 0.354 nan 8.240 nan 0.000 0.520 149 F N 0.079 120.099 119.950 0.116 0.000 2.599 149 F HA 0.838 5.365 4.527 -0.001 0.000 0.311 149 F C -1.403 174.437 175.800 0.066 0.000 1.076 149 F CA -1.350 56.698 58.000 0.080 0.000 0.937 149 F CB 1.346 40.388 39.000 0.069 0.000 1.282 149 F HN 0.219 nan 8.300 nan 0.000 0.460 150 V N 2.888 122.988 119.914 0.310 0.000 2.462 150 V HA 0.399 4.519 4.120 -0.001 0.000 0.288 150 V C -1.130 175.088 176.094 0.207 0.000 1.020 150 V CA -0.419 62.002 62.300 0.202 0.000 0.857 150 V CB 1.235 33.120 31.823 0.103 0.000 1.013 150 V HN 0.867 nan 8.190 nan 0.000 0.431 151 N N 2.910 121.742 118.700 0.221 0.000 2.362 151 N HA 0.576 5.316 4.740 -0.001 0.000 0.299 151 N C 0.882 176.427 175.510 0.059 0.000 1.170 151 N CA 0.004 53.126 53.050 0.121 0.000 0.825 151 N CB 2.426 40.972 38.487 0.099 0.000 1.299 151 N HN 0.585 nan 8.380 nan 0.000 0.502 152 G N -0.988 107.820 108.800 0.013 0.000 3.262 152 G HA2 0.413 4.372 3.960 -0.001 0.000 0.228 152 G HA3 0.413 4.372 3.960 -0.001 0.000 0.228 152 G C 0.242 175.091 174.900 -0.085 0.000 1.197 152 G CA 0.175 45.262 45.100 -0.023 0.000 0.819 152 G HN 0.640 nan 8.290 nan 0.000 0.531 153 G N -0.624 108.137 108.800 -0.066 0.000 2.677 153 G HA2 0.477 4.437 3.960 -0.001 0.000 0.291 153 G HA3 0.477 4.437 3.960 -0.001 0.000 0.291 153 G C -1.253 173.626 174.900 -0.035 0.000 1.435 153 G CA -0.962 44.075 45.100 -0.106 0.000 0.826 153 G HN 0.421 nan 8.290 nan 0.000 0.491 154 L N 0.896 122.095 121.223 -0.039 0.000 2.499 154 L HA 0.507 4.846 4.340 -0.001 0.000 0.273 154 L C -0.072 176.789 176.870 -0.014 0.000 1.195 154 L CA -0.066 54.773 54.840 -0.002 0.000 0.882 154 L CB 0.908 42.956 42.059 -0.018 0.000 1.133 154 L HN 0.218 nan 8.230 nan 0.000 0.483 155 V N 7.298 127.224 119.914 0.020 0.000 2.368 155 V HA 0.186 4.305 4.120 -0.001 0.000 0.266 155 V C 1.291 177.359 176.094 -0.044 0.000 1.045 155 V CA -0.375 61.893 62.300 -0.053 0.000 0.899 155 V CB 0.560 32.276 31.823 -0.178 0.000 1.006 155 V HN 0.905 nan 8.190 nan 0.000 0.470 156 K N 2.240 122.579 120.400 -0.102 0.000 2.032 156 K HA -0.133 4.186 4.320 -0.001 0.000 0.209 156 K C 2.137 178.696 176.600 -0.068 0.000 1.048 156 K CA 1.732 57.963 56.287 -0.093 0.000 0.927 156 K CB -0.122 32.293 32.500 -0.142 0.000 0.712 156 K HN 0.634 nan 8.250 nan 0.000 0.441 157 S N 0.533 116.182 115.700 -0.085 0.000 2.419 157 S HA -0.141 4.329 4.470 -0.001 0.000 0.235 157 S C 1.848 176.442 174.600 -0.010 0.000 1.019 157 S CA 1.258 59.429 58.200 -0.047 0.000 0.982 157 S CB -0.073 63.101 63.200 -0.043 0.000 0.789 157 S HN 0.435 nan 8.310 nan 0.000 0.490 158 A N 0.024 122.858 122.820 0.023 0.000 2.169 158 A HA 0.546 4.865 4.320 -0.001 0.000 0.210 158 A C 1.693 179.312 177.584 0.058 0.000 1.168 158 A CA 0.714 52.790 52.037 0.064 0.000 0.813 158 A CB -0.496 18.639 19.000 0.224 0.000 0.861 158 A HN 0.848 nan 8.150 nan 0.000 0.481 159 G N -0.488 108.338 108.800 0.044 0.000 2.155 159 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.257 159 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.257 159 G C 0.071 175.002 174.900 0.051 0.000 0.983 159 G CA 0.821 45.940 45.100 0.031 0.000 0.676 159 G HN 0.656 nan 8.290 nan 0.000 0.528 160 K N -1.124 119.338 120.400 0.102 0.000 2.555 160 K HA 0.351 4.671 4.320 -0.001 0.000 0.279 160 K C 0.470 177.185 176.600 0.191 0.000 0.986 160 K CA -0.446 55.907 56.287 0.109 0.000 0.880 160 K CB 0.859 33.413 32.500 0.090 0.000 1.474 160 K HN 0.070 nan 8.250 nan 0.000 0.433 161 N N -0.205 118.578 118.700 0.139 0.000 2.412 161 N HA 0.060 4.800 4.740 -0.001 0.000 0.184 161 N C -0.244 175.430 175.510 0.272 0.000 1.101 161 N CA 0.059 53.217 53.050 0.180 0.000 0.881 161 N CB 0.428 38.960 38.487 0.075 0.000 0.969 161 N HN 0.559 nan 8.380 nan 0.000 0.459 162 A N -0.853 122.052 122.820 0.142 0.000 2.574 162 A HA 0.618 4.938 4.320 -0.001 0.000 0.297 162 A C -1.943 175.436 177.584 -0.342 0.000 1.062 162 A CA -0.721 51.257 52.037 -0.100 0.000 0.686 162 A CB 1.124 20.091 19.000 -0.056 0.000 1.285 162 A HN 0.454 nan 8.150 nan 0.000 0.403 163 H N 0.371 118.926 119.070 -0.859 0.000 3.029 163 H HA 0.597 5.152 4.556 -0.001 0.000 0.358 163 H C -1.926 173.149 175.328 -0.422 0.000 1.129 163 H CA -0.493 55.163 56.048 -0.653 0.000 1.230 163 H CB 1.307 30.535 29.762 -0.889 0.000 1.827 163 H HN 0.837 nan 8.280 nan 0.000 0.530 164 L N 4.756 125.470 121.223 -0.849 0.000 2.265 164 L HA 0.694 5.033 4.340 -0.001 0.000 0.288 164 L C 0.103 176.594 176.870 -0.632 0.000 1.058 164 L CA 0.325 54.843 54.840 -0.537 0.000 0.809 164 L CB 0.776 42.658 42.059 -0.294 0.000 1.179 164 L HN 0.793 nan 8.230 nan 0.000 0.429 165 G N 2.798 111.457 108.800 -0.235 0.000 2.471 165 G HA2 0.560 4.519 3.960 -0.001 0.000 0.332 165 G HA3 0.560 4.519 3.960 -0.001 0.000 0.332 165 G C 0.229 175.135 174.900 0.010 0.000 1.176 165 G CA -0.208 44.878 45.100 -0.022 0.000 0.949 165 G HN 0.938 nan 8.290 nan 0.000 0.488 166 A N -0.004 122.847 122.820 0.051 0.000 2.208 166 A HA 0.339 4.658 4.320 -0.001 0.000 0.209 166 A C 1.869 179.491 177.584 0.063 0.000 1.161 166 A CA 1.040 53.102 52.037 0.042 0.000 0.782 166 A CB -0.566 18.457 19.000 0.038 0.000 0.816 166 A HN 1.118 nan 8.150 nan 0.000 0.477 167 S N -0.985 114.780 115.700 0.109 0.000 2.640 167 S HA 0.307 4.777 4.470 -0.001 0.000 0.262 167 S C 0.795 175.432 174.600 0.062 0.000 1.232 167 S CA -0.279 57.992 58.200 0.118 0.000 0.988 167 S CB 0.549 63.917 63.200 0.280 0.000 1.034 167 S HN 0.349 nan 8.310 nan 0.000 0.569 168 R N -1.235 119.237 120.500 -0.048 0.000 2.310 168 R HA 0.196 4.535 4.340 -0.001 0.000 0.202 168 R C -0.585 175.663 176.300 -0.087 0.000 0.933 168 R CA -0.063 55.982 56.100 -0.092 0.000 1.054 168 R CB -0.156 30.047 30.300 -0.162 0.000 0.985 168 R HN 0.609 nan 8.270 nan 0.000 0.489 169 Y N 0.294 120.675 120.300 0.136 0.000 2.319 169 Y HA 0.189 4.738 4.550 -0.001 0.000 0.328 169 Y C -0.054 175.918 175.900 0.120 0.000 1.133 169 Y CA -0.539 57.655 58.100 0.157 0.000 1.265 169 Y CB 0.858 39.425 38.460 0.179 0.000 1.218 169 Y HN -0.084 nan 8.280 nan 0.000 0.508 170 L N 5.439 126.816 121.223 0.256 0.000 2.376 170 L HA 0.569 4.909 4.340 -0.001 0.000 0.275 170 L C -1.540 175.402 176.870 0.120 0.000 0.987 170 L CA -0.760 54.180 54.840 0.167 0.000 0.828 170 L CB 0.865 42.993 42.059 0.115 0.000 1.249 170 L HN 0.377 nan 8.230 nan 0.000 0.409 171 I N 4.951 125.590 120.570 0.115 0.000 2.339 171 I HA 0.758 4.928 4.170 -0.001 0.000 0.290 171 I C 0.072 176.254 176.117 0.107 0.000 0.994 171 I CA -0.600 60.729 61.300 0.050 0.000 1.191 171 I CB 0.790 38.777 38.000 -0.022 0.000 1.343 171 I HN 0.776 nan 8.210 nan 0.000 0.458 172 A N 5.110 127.978 122.820 0.080 0.000 2.455 172 A HA 0.508 4.827 4.320 -0.001 0.000 0.300 172 A C -0.416 177.221 177.584 0.088 0.000 1.040 172 A CA -0.705 51.392 52.037 0.099 0.000 0.697 172 A CB 1.480 20.541 19.000 0.101 0.000 1.265 172 A HN 0.742 nan 8.150 nan 0.000 0.407 173 E N 1.690 121.938 120.200 0.079 0.000 2.344 173 E HA 0.484 4.833 4.350 -0.001 0.000 0.270 173 E C -0.017 176.626 176.600 0.073 0.000 1.021 173 E CA -0.036 56.403 56.400 0.065 0.000 0.887 173 E CB 0.722 30.449 29.700 0.045 0.000 0.997 173 E HN 0.853 nan 8.360 nan 0.000 0.429 174 A N 4.862 127.728 122.820 0.077 0.000 2.285 174 A HA 0.226 4.545 4.320 -0.001 0.000 0.310 174 A C -1.002 176.545 177.584 -0.062 0.000 1.266 174 A CA -0.813 51.270 52.037 0.077 0.000 0.832 174 A CB 1.069 20.168 19.000 0.165 0.000 1.163 174 A HN 0.690 nan 8.150 nan 0.000 0.499 175 D N 2.023 122.340 120.400 -0.138 0.000 2.313 175 D HA 0.109 4.748 4.640 -0.001 0.000 0.239 175 D C 0.891 176.765 176.300 -0.711 0.000 1.142 175 D CA -0.113 53.712 54.000 -0.292 0.000 0.847 175 D CB 1.087 41.795 40.800 -0.153 0.000 1.082 175 D HN 0.592 nan 8.370 nan 0.000 0.480 176 E N 2.219 121.803 120.200 -1.026 0.000 2.274 176 E HA -0.088 4.262 4.350 -0.001 0.000 0.194 176 E C -0.116 176.012 176.600 -0.787 0.000 0.996 176 E CA 0.131 55.543 56.400 -1.646 0.000 0.840 176 E CB 0.094 28.951 29.700 -1.405 0.000 0.772 176 E HN 0.540 nan 8.360 nan 0.000 0.491 177 S N 1.830 117.270 115.700 -0.433 0.000 2.544 177 S HA -0.056 4.414 4.470 -0.001 0.000 0.290 177 S C 0.088 174.580 174.600 -0.180 0.000 1.276 177 S CA 0.105 58.168 58.200 -0.227 0.000 1.075 177 S CB 0.464 63.595 63.200 -0.115 0.000 0.849 177 S HN 0.150 nan 8.310 nan 0.000 0.494 178 D N 1.839 122.164 120.400 -0.124 0.000 2.723 178 D HA -0.241 4.399 4.640 -0.001 0.000 0.236 178 D C 0.998 177.263 176.300 -0.058 0.000 1.138 178 D CA 1.320 55.280 54.000 -0.066 0.000 0.676 178 D CB -1.742 39.040 40.800 -0.031 0.000 1.069 178 D HN 1.515 nan 8.370 nan 0.000 0.430 179 A N -1.397 121.358 122.820 -0.109 0.000 2.869 179 A HA -0.397 3.922 4.320 -0.001 0.000 0.272 179 A C 2.227 179.870 177.584 0.099 0.000 1.332 179 A CA 2.231 54.274 52.037 0.010 0.000 0.939 179 A CB -1.851 17.188 19.000 0.065 0.000 1.018 179 A HN 0.513 nan 8.150 nan 0.000 0.696 180 S N -0.530 115.157 115.700 -0.021 0.000 2.412 180 S HA -0.325 4.145 4.470 -0.001 0.000 0.246 180 S C 1.407 176.132 174.600 0.209 0.000 1.073 180 S CA 2.014 60.240 58.200 0.044 0.000 1.186 180 S CB -0.890 62.281 63.200 -0.048 0.000 1.084 180 S HN 1.484 nan 8.310 nan 0.000 0.434 181 F N 0.722 120.609 119.950 -0.106 0.000 2.667 181 F HA 0.094 4.621 4.527 -0.001 0.000 0.295 181 F C 1.246 177.089 175.800 0.071 0.000 1.185 181 F CA -0.022 57.926 58.000 -0.085 0.000 1.479 181 F CB -0.604 38.187 39.000 -0.348 0.000 1.116 181 F HN 0.121 nan 8.300 nan 0.000 0.606 182 L N 0.009 121.397 121.223 0.275 0.000 2.492 182 L HA -0.061 4.279 4.340 -0.001 0.000 0.223 182 L C 1.690 178.567 176.870 0.012 0.000 1.132 182 L CA 0.660 55.546 54.840 0.076 0.000 0.850 182 L CB -0.800 41.283 42.059 0.041 0.000 0.966 182 L HN 0.250 nan 8.230 nan 0.000 0.454 183 H N -0.432 118.671 119.070 0.056 0.000 2.529 183 H HA 0.127 4.683 4.556 -0.001 0.000 0.277 183 H C 0.655 175.989 175.328 0.010 0.000 0.999 183 H CA 0.072 56.132 56.048 0.021 0.000 1.256 183 H CB 0.121 29.895 29.762 0.019 0.000 1.402 183 H HN 0.122 nan 8.280 nan 0.000 0.566 184 L N 1.475 122.789 121.223 0.152 0.000 2.453 184 L HA 0.041 4.381 4.340 -0.001 0.000 0.272 184 L C 0.161 177.020 176.870 -0.018 0.000 1.182 184 L CA 0.213 55.111 54.840 0.098 0.000 0.858 184 L CB 0.595 42.774 42.059 0.200 0.000 1.120 184 L HN 0.227 nan 8.230 nan 0.000 0.474 185 Q N 4.081 123.845 119.800 -0.060 0.000 2.788 185 Q HA 0.354 4.694 4.340 -0.001 0.000 0.261 185 Q C -2.343 173.564 176.000 -0.155 0.000 1.029 185 Q CA -1.584 54.138 55.803 -0.134 0.000 0.848 185 Q CB 1.527 30.189 28.738 -0.128 0.000 1.185 185 Q HN 0.383 nan 8.270 nan 0.000 0.482 186 P HA 0.331 nan 4.420 nan 0.000 0.281 186 P C 0.740 177.891 177.300 -0.248 0.000 1.281 186 P CA -0.534 62.454 63.100 -0.187 0.000 0.811 186 P CB 1.014 32.611 31.700 -0.171 0.000 1.154 187 M N -0.963 118.467 119.600 -0.283 0.000 2.466 187 M HA 0.151 4.631 4.480 -0.001 0.000 0.265 187 M C -0.010 176.157 176.300 -0.221 0.000 1.122 187 M CA 0.866 55.972 55.300 -0.323 0.000 1.157 187 M CB -0.039 32.189 32.600 -0.621 0.000 1.352 187 M HN 0.028 nan 8.290 nan 0.000 0.464 188 V N 0.045 119.857 119.914 -0.170 0.000 2.686 188 V HA 0.418 4.537 4.120 -0.001 0.000 0.306 188 V C -0.699 175.352 176.094 -0.071 0.000 1.065 188 V CA -0.674 61.579 62.300 -0.079 0.000 0.894 188 V CB 2.241 34.068 31.823 0.006 0.000 1.004 188 V HN 0.094 nan 8.190 nan 0.000 0.424 189 S N 2.745 118.409 115.700 -0.060 0.000 2.561 189 S HA 0.687 5.157 4.470 -0.001 0.000 0.303 189 S C -0.542 174.114 174.600 0.094 0.000 1.110 189 S CA -0.517 57.683 58.200 0.000 0.000 1.034 189 S CB 1.896 64.986 63.200 -0.183 0.000 1.010 189 S HN 0.468 nan 8.310 nan 0.000 0.482 190 V N 3.520 123.526 119.914 0.154 0.000 2.472 190 V HA 0.552 4.672 4.120 -0.001 0.000 0.290 190 V C -0.422 175.816 176.094 0.241 0.000 1.037 190 V CA -0.583 61.815 62.300 0.163 0.000 0.908 190 V CB 1.688 33.571 31.823 0.100 0.000 0.985 190 V HN 0.669 nan 8.190 nan 0.000 0.454 191 V N 3.688 123.740 119.914 0.230 0.000 2.409 191 V HA 0.246 4.365 4.120 -0.001 0.000 0.290 191 V C 1.009 177.200 176.094 0.160 0.000 1.017 191 V CA 0.065 62.489 62.300 0.207 0.000 0.841 191 V CB 1.320 33.249 31.823 0.175 0.000 1.003 191 V HN 1.048 nan 8.190 nan 0.000 0.426 192 T N 1.174 115.819 114.554 0.152 0.000 2.942 192 T HA 0.059 4.409 4.350 -0.001 0.000 0.265 192 T C 0.574 175.317 174.700 0.072 0.000 1.062 192 T CA 1.208 63.416 62.100 0.179 0.000 1.139 192 T CB -0.138 68.823 68.868 0.156 0.000 0.883 192 T HN 0.802 nan 8.240 nan 0.000 0.468 193 N N -0.797 117.897 118.700 -0.010 0.000 3.501 193 N HA 0.385 5.125 4.740 -0.001 0.000 0.235 193 N C -1.682 173.734 175.510 -0.157 0.000 1.442 193 N CA -0.931 52.084 53.050 -0.058 0.000 0.872 193 N CB 1.111 39.603 38.487 0.008 0.000 1.414 193 N HN 0.179 nan 8.380 nan 0.000 0.485 194 M N 0.686 120.204 119.600 -0.137 0.000 2.106 194 M HA 0.257 4.737 4.480 -0.001 0.000 0.241 194 M C -1.785 174.554 176.300 0.066 0.000 0.946 194 M CA -0.188 55.028 55.300 -0.141 0.000 1.024 194 M CB 1.008 33.414 32.600 -0.323 0.000 2.191 194 M HN 0.731 nan 8.290 nan 0.000 0.429 195 E N 6.499 126.692 120.200 -0.011 0.000 2.134 195 E HA 0.527 4.876 4.350 -0.001 0.000 0.278 195 E C -2.435 174.069 176.600 -0.160 0.000 0.959 195 E CA -1.801 54.559 56.400 -0.068 0.000 0.783 195 E CB 1.427 31.086 29.700 -0.068 0.000 1.095 195 E HN 0.323 nan 8.360 nan 0.000 0.399 196 P HA 0.091 nan 4.420 nan 0.000 0.274 196 P C -0.253 176.802 177.300 -0.409 0.000 1.231 196 P CA -0.231 62.278 63.100 -0.984 0.000 0.790 196 P CB 0.979 31.821 31.700 -1.430 0.000 0.951 197 D N -0.068 120.141 120.400 -0.319 0.000 2.117 197 D HA -0.122 4.517 4.640 -0.001 0.000 0.197 197 D C 0.066 175.941 176.300 -0.709 0.000 0.987 197 D CA 1.853 55.609 54.000 -0.407 0.000 0.829 197 D CB -0.299 40.281 40.800 -0.366 0.000 0.961 197 D HN 0.591 nan 8.370 nan 0.000 0.460 198 H N -1.094 117.891 119.070 -0.143 0.000 3.108 198 H HA 0.236 4.791 4.556 -0.001 0.000 0.301 198 H C 0.695 175.935 175.328 -0.147 0.000 1.139 198 H CA -0.237 55.745 56.048 -0.110 0.000 1.552 198 H CB 1.290 31.017 29.762 -0.057 0.000 1.663 198 H HN -0.194 nan 8.280 nan 0.000 0.517 199 M N 1.455 121.010 119.600 -0.075 0.000 2.149 199 M HA -0.148 4.332 4.480 -0.001 0.000 0.261 199 M C 0.637 176.907 176.300 -0.050 0.000 1.064 199 M CA 1.981 57.211 55.300 -0.117 0.000 1.102 199 M CB 0.217 32.757 32.600 -0.101 0.000 1.369 199 M HN 0.654 nan 8.290 nan 0.000 0.408 200 D N -0.940 119.459 120.400 -0.002 0.000 2.336 200 D HA 0.081 4.721 4.640 -0.001 0.000 0.228 200 D C -0.455 175.865 176.300 0.034 0.000 1.120 200 D CA 0.076 54.084 54.000 0.014 0.000 0.839 200 D CB -0.279 40.530 40.800 0.015 0.000 0.932 200 D HN 0.085 nan 8.370 nan 0.000 0.509 201 T N 0.101 114.679 114.554 0.040 0.000 2.886 201 T HA 0.173 4.523 4.350 -0.001 0.000 0.292 201 T C -1.160 173.594 174.700 0.089 0.000 1.012 201 T CA -0.696 61.444 62.100 0.067 0.000 0.982 201 T CB 1.309 70.204 68.868 0.045 0.000 1.018 201 T HN 0.067 nan 8.240 nan 0.000 0.451 202 Y N 2.912 123.236 120.300 0.041 0.000 2.632 202 Y HA 0.152 4.701 4.550 -0.001 0.000 0.329 202 Y C 0.428 176.375 175.900 0.079 0.000 1.174 202 Y CA 0.451 58.588 58.100 0.063 0.000 1.469 202 Y CB 0.269 38.761 38.460 0.054 0.000 1.242 202 Y HN 0.561 nan 8.280 nan 0.000 0.540 203 E N 3.933 123.929 120.200 -0.341 0.000 2.220 203 E HA 0.224 4.574 4.350 -0.001 0.000 0.256 203 E C 0.559 177.049 176.600 -0.183 0.000 0.881 203 E CA -0.118 56.228 56.400 -0.091 0.000 0.766 203 E CB 1.551 31.262 29.700 0.019 0.000 1.187 203 E HN 0.970 nan 8.360 nan 0.000 0.419 204 G N 3.137 111.972 108.800 0.058 0.000 2.440 204 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.218 204 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.218 204 G C 0.923 175.867 174.900 0.074 0.000 1.154 204 G CA 0.709 45.894 45.100 0.143 0.000 0.767 204 G HN 0.419 nan 8.290 nan 0.000 0.552 205 D N -0.269 120.185 120.400 0.090 0.000 2.178 205 D HA -0.078 4.562 4.640 -0.001 0.000 0.201 205 D C 1.905 178.262 176.300 0.096 0.000 0.980 205 D CA 0.322 54.374 54.000 0.087 0.000 0.842 205 D CB -0.289 40.568 40.800 0.096 0.000 0.948 205 D HN 0.286 nan 8.370 nan 0.000 0.472 206 F N 1.936 121.859 119.950 -0.046 0.000 2.134 206 F HA -0.145 4.382 4.527 -0.001 0.000 0.299 206 F C 2.115 177.881 175.800 -0.057 0.000 1.097 206 F CA 1.174 59.140 58.000 -0.057 0.000 1.264 206 F CB 0.137 39.080 39.000 -0.095 0.000 1.001 206 F HN -0.187 nan 8.300 nan 0.000 0.479 207 E N 0.526 120.672 120.200 -0.090 0.000 2.106 207 E HA -0.183 4.167 4.350 -0.001 0.000 0.192 207 E C 2.163 178.703 176.600 -0.101 0.000 0.984 207 E CA 1.069 57.390 56.400 -0.131 0.000 0.806 207 E CB -0.418 29.252 29.700 -0.050 0.000 0.750 207 E HN 0.468 nan 8.360 nan 0.000 0.458 208 K N 0.582 120.957 120.400 -0.043 0.000 2.057 208 K HA -0.083 4.236 4.320 -0.001 0.000 0.207 208 K C 2.244 178.820 176.600 -0.040 0.000 1.049 208 K CA 1.403 57.681 56.287 -0.016 0.000 0.931 208 K CB -0.209 32.300 32.500 0.015 0.000 0.714 208 K HN 0.117 nan 8.250 nan 0.000 0.440 209 M N 1.249 120.799 119.600 -0.083 0.000 2.117 209 M HA -0.228 4.252 4.480 -0.001 0.000 0.262 209 M C 1.664 177.951 176.300 -0.021 0.000 1.065 209 M CA 1.768 57.033 55.300 -0.059 0.000 1.114 209 M CB -0.017 32.545 32.600 -0.063 0.000 1.361 209 M HN -0.067 nan 8.290 nan 0.000 0.408 210 K N 0.552 120.807 120.400 -0.242 0.000 2.063 210 K HA -0.136 4.183 4.320 -0.001 0.000 0.208 210 K C 2.036 178.623 176.600 -0.022 0.000 1.048 210 K CA 1.766 57.939 56.287 -0.190 0.000 0.928 210 K CB -0.392 31.932 32.500 -0.294 0.000 0.713 210 K HN 0.525 nan 8.250 nan 0.000 0.442 211 A N 0.554 123.357 122.820 -0.029 0.000 1.972 211 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 211 A C 2.155 179.755 177.584 0.027 0.000 1.169 211 A CA 1.956 53.994 52.037 0.001 0.000 0.635 211 A CB -0.788 18.215 19.000 0.006 0.000 0.810 211 A HN 0.264 nan 8.150 nan 0.000 0.446 212 T N -1.429 113.156 114.554 0.052 0.000 2.777 212 T HA -0.116 4.233 4.350 -0.001 0.000 0.266 212 T C 1.686 176.456 174.700 0.116 0.000 1.040 212 T CA 1.612 63.758 62.100 0.077 0.000 1.141 212 T CB -0.415 68.490 68.868 0.062 0.000 0.868 212 T HN 0.567 nan 8.240 nan 0.000 0.444 213 Y N 0.915 121.283 120.300 0.114 0.000 2.224 213 Y HA -0.114 4.436 4.550 -0.001 0.000 0.289 213 Y C 2.561 178.472 175.900 0.018 0.000 1.146 213 Y CA 0.576 58.763 58.100 0.146 0.000 1.182 213 Y CB -0.567 37.947 38.460 0.090 0.000 0.983 213 Y HN -0.006 nan 8.280 nan 0.000 0.524 214 V N 0.203 120.153 119.914 0.060 0.000 2.343 214 V HA -0.316 3.804 4.120 -0.001 0.000 0.247 214 V C 2.093 177.958 176.094 -0.381 0.000 1.051 214 V CA 1.934 64.118 62.300 -0.194 0.000 1.036 214 V CB -0.481 31.225 31.823 -0.196 0.000 0.654 214 V HN 0.374 nan 8.190 nan 0.000 0.451 215 K N -0.760 119.538 120.400 -0.171 0.000 2.057 215 K HA -0.186 4.133 4.320 -0.001 0.000 0.207 215 K C 2.111 178.649 176.600 -0.104 0.000 1.049 215 K CA 1.743 57.967 56.287 -0.105 0.000 0.931 215 K CB -0.382 32.107 32.500 -0.018 0.000 0.714 215 K HN 0.435 nan 8.250 nan 0.000 0.440 216 F N 2.186 121.945 119.950 -0.320 0.000 2.095 216 F HA -0.196 4.330 4.527 -0.001 0.000 0.298 216 F C 1.760 177.377 175.800 -0.305 0.000 1.104 216 F CA 1.432 59.135 58.000 -0.495 0.000 1.232 216 F CB -0.371 38.055 39.000 -0.957 0.000 0.987 216 F HN -0.119 nan 8.300 nan 0.000 0.475 217 L N -0.622 120.430 121.223 -0.284 0.000 2.131 217 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 217 L C 2.385 179.148 176.870 -0.178 0.000 1.092 217 L CA 1.564 56.217 54.840 -0.311 0.000 0.759 217 L CB -1.093 40.888 42.059 -0.131 0.000 0.903 217 L HN 0.258 nan 8.230 nan 0.000 0.435 218 H N -0.446 118.522 119.070 -0.170 0.000 2.518 218 H HA -0.077 4.479 4.556 -0.001 0.000 0.289 218 H C 1.540 176.757 175.328 -0.185 0.000 1.051 218 H CA 0.338 56.301 56.048 -0.141 0.000 1.280 218 H CB 0.119 29.831 29.762 -0.084 0.000 1.380 218 H HN 0.366 nan 8.280 nan 0.000 0.566 219 N N 0.670 119.281 118.700 -0.149 0.000 2.512 219 N HA -0.033 4.707 4.740 -0.001 0.000 0.183 219 N C 0.212 175.567 175.510 -0.259 0.000 1.073 219 N CA 0.333 53.257 53.050 -0.210 0.000 0.911 219 N CB 0.022 38.348 38.487 -0.269 0.000 0.964 219 N HN 0.290 nan 8.380 nan 0.000 0.447 220 L N 2.284 123.336 121.223 -0.286 0.000 2.483 220 L HA 0.110 4.450 4.340 -0.001 0.000 0.276 220 L C -1.667 175.015 176.870 -0.313 0.000 1.213 220 L CA -1.330 53.326 54.840 -0.307 0.000 0.843 220 L CB 0.022 41.921 42.059 -0.267 0.000 1.107 220 L HN -0.031 nan 8.230 nan 0.000 0.487 221 P HA -0.046 nan 4.420 nan 0.000 0.273 221 P C 0.559 177.488 177.300 -0.619 0.000 1.250 221 P CA -0.297 62.410 63.100 -0.655 0.000 0.793 221 P CB 0.323 31.207 31.700 -1.360 0.000 1.011 222 F N 0.010 119.739 119.950 -0.368 0.000 2.250 222 F HA -0.174 4.353 4.527 -0.001 0.000 0.301 222 F C 1.678 177.418 175.800 -0.099 0.000 1.077 222 F CA 0.853 58.759 58.000 -0.157 0.000 1.348 222 F CB -1.948 37.036 39.000 -0.026 0.000 1.040 222 F HN 0.262 nan 8.300 nan 0.000 0.509 223 Y N -0.108 119.815 120.300 -0.630 0.000 2.485 223 Y HA 0.645 5.194 4.550 -0.001 0.000 0.260 223 Y C 1.198 176.981 175.900 -0.195 0.000 1.173 223 Y CA -1.292 56.583 58.100 -0.376 0.000 1.252 223 Y CB -1.073 37.041 38.460 -0.577 0.000 1.123 223 Y HN 0.057 nan 8.280 nan 0.000 0.524 224 G N 1.259 109.827 108.800 -0.387 0.000 2.621 224 G HA2 0.405 4.365 3.960 -0.001 0.000 0.271 224 G HA3 0.405 4.365 3.960 -0.001 0.000 0.271 224 G C -1.528 173.322 174.900 -0.084 0.000 1.236 224 G CA -0.533 44.426 45.100 -0.235 0.000 0.958 224 G HN 0.257 nan 8.290 nan 0.000 0.512 225 L N -0.122 121.067 121.223 -0.056 0.000 2.410 225 L HA 0.764 5.104 4.340 -0.001 0.000 0.270 225 L C 0.014 176.875 176.870 -0.016 0.000 0.983 225 L CA -0.804 54.036 54.840 -0.001 0.000 0.822 225 L CB 1.731 43.819 42.059 0.048 0.000 1.285 225 L HN 0.727 nan 8.230 nan 0.000 0.409 226 A N 4.866 127.690 122.820 0.007 0.000 2.276 226 A HA 0.735 5.055 4.320 -0.001 0.000 0.316 226 A C -1.075 176.553 177.584 0.073 0.000 1.229 226 A CA -0.491 51.561 52.037 0.024 0.000 0.851 226 A CB 0.967 19.979 19.000 0.020 0.000 1.165 226 A HN 0.537 nan 8.150 nan 0.000 0.513 227 V N 4.543 124.517 119.914 0.099 0.000 2.357 227 V HA 0.507 4.626 4.120 -0.001 0.000 0.284 227 V C -0.104 176.128 176.094 0.230 0.000 1.018 227 V CA 0.079 62.472 62.300 0.156 0.000 0.841 227 V CB 0.866 32.753 31.823 0.106 0.000 0.991 227 V HN 0.965 nan 8.190 nan 0.000 0.437 228 M N 4.141 123.867 119.600 0.210 0.000 2.457 228 M HA 0.396 4.876 4.480 -0.001 0.000 0.300 228 M C -0.508 175.660 176.300 -0.220 0.000 1.141 228 M CA -0.314 55.038 55.300 0.086 0.000 0.901 228 M CB 2.160 34.776 32.600 0.026 0.000 1.687 228 M HN 0.578 nan 8.290 nan 0.000 0.449 229 C N 2.549 121.570 119.300 -0.465 0.000 2.657 229 C HA 0.381 4.841 4.460 -0.001 0.000 0.404 229 C C 1.648 176.370 174.990 -0.448 0.000 1.369 229 C CA 0.229 58.685 59.018 -0.936 0.000 1.665 229 C CB -0.710 26.676 27.740 -0.590 0.000 2.453 229 C HN 1.007 nan 8.230 nan 0.000 0.599 230 A N 3.969 126.546 122.820 -0.405 0.000 2.121 230 A HA -0.056 4.264 4.320 -0.001 0.000 0.218 230 A C 1.681 179.195 177.584 -0.116 0.000 1.154 230 A CA 1.580 53.510 52.037 -0.178 0.000 0.679 230 A CB -0.245 18.689 19.000 -0.110 0.000 0.795 230 A HN 0.906 nan 8.150 nan 0.000 0.458 231 D N 0.028 120.349 120.400 -0.132 0.000 2.340 231 D HA 0.020 4.660 4.640 -0.001 0.000 0.220 231 D C -0.119 176.148 176.300 -0.055 0.000 1.039 231 D CA 0.290 54.258 54.000 -0.054 0.000 0.866 231 D CB 0.097 40.901 40.800 0.008 0.000 0.913 231 D HN 0.368 nan 8.370 nan 0.000 0.523 232 D N 0.924 121.275 120.400 -0.082 0.000 2.412 232 D HA 0.098 4.738 4.640 -0.001 0.000 0.224 232 D C -1.693 174.580 176.300 -0.044 0.000 1.093 232 D CA -2.071 51.894 54.000 -0.059 0.000 0.850 232 D CB 2.400 43.156 40.800 -0.072 0.000 1.046 232 D HN -0.145 nan 8.370 nan 0.000 0.507 233 P HA -0.112 nan 4.420 nan 0.000 0.220 233 P C 1.652 178.951 177.300 -0.002 0.000 1.148 233 P CA 0.350 63.443 63.100 -0.013 0.000 0.803 233 P CB 0.534 32.230 31.700 -0.007 0.000 0.782 234 V N -0.033 119.886 119.914 0.009 0.000 2.358 234 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 234 V C 2.606 178.690 176.094 -0.016 0.000 1.047 234 V CA 1.500 63.818 62.300 0.030 0.000 1.035 234 V CB -1.149 30.736 31.823 0.104 0.000 0.658 234 V HN 0.044 nan 8.190 nan 0.000 0.452 235 L N -1.133 120.063 121.223 -0.045 0.000 2.083 235 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 235 L C 2.597 179.445 176.870 -0.037 0.000 1.083 235 L CA 1.216 56.020 54.840 -0.061 0.000 0.752 235 L CB -0.507 41.504 42.059 -0.080 0.000 0.899 235 L HN 0.308 nan 8.230 nan 0.000 0.433 236 M N -0.757 118.824 119.600 -0.032 0.000 2.175 236 M HA -0.158 4.322 4.480 -0.001 0.000 0.264 236 M C 2.183 178.480 176.300 -0.006 0.000 1.063 236 M CA 1.325 56.613 55.300 -0.020 0.000 1.119 236 M CB -1.043 31.545 32.600 -0.021 0.000 1.377 236 M HN 0.236 nan 8.290 nan 0.000 0.415 237 E N 0.820 121.019 120.200 -0.002 0.000 2.153 237 E HA -0.136 4.214 4.350 -0.001 0.000 0.194 237 E C 1.954 178.558 176.600 0.007 0.000 0.988 237 E CA 0.911 57.316 56.400 0.008 0.000 0.811 237 E CB -0.070 29.641 29.700 0.017 0.000 0.746 237 E HN 0.506 nan 8.360 nan 0.000 0.466 238 L N 0.058 121.279 121.223 -0.003 0.000 2.376 238 L HA -0.094 4.245 4.340 -0.001 0.000 0.219 238 L C 2.483 179.358 176.870 0.008 0.000 1.133 238 L CA 0.008 54.846 54.840 -0.004 0.000 0.816 238 L CB -0.245 41.801 42.059 -0.022 0.000 0.933 238 L HN -0.032 nan 8.230 nan 0.000 0.449 239 V N 1.078 120.998 119.914 0.010 0.000 2.233 239 V HA -0.245 3.875 4.120 -0.001 0.000 0.252 239 V C -0.029 176.084 176.094 0.031 0.000 1.063 239 V CA 2.357 64.668 62.300 0.019 0.000 1.032 239 V CB -1.607 30.226 31.823 0.016 0.000 0.645 239 V HN 0.399 nan 8.190 nan 0.000 0.446 240 P HA -0.121 nan 4.420 nan 0.000 0.223 240 P C 1.249 178.580 177.300 0.053 0.000 1.144 240 P CA 1.278 64.400 63.100 0.037 0.000 0.783 240 P CB -0.102 31.616 31.700 0.030 0.000 0.771 241 K N -1.196 119.239 120.400 0.059 0.000 2.426 241 K HA 0.072 4.392 4.320 -0.001 0.000 0.193 241 K C 1.597 178.304 176.600 0.178 0.000 1.028 241 K CA 0.184 56.529 56.287 0.097 0.000 1.047 241 K CB -0.086 32.451 32.500 0.062 0.000 0.821 241 K HN 0.013 nan 8.250 nan 0.000 0.513 242 V N 0.650 120.636 119.914 0.120 0.000 2.323 242 V HA -0.088 4.032 4.120 -0.001 0.000 0.244 242 V C 1.535 177.758 176.094 0.215 0.000 1.041 242 V CA 1.829 64.218 62.300 0.147 0.000 1.025 242 V CB -0.829 31.032 31.823 0.065 0.000 0.656 242 V HN 0.602 nan 8.190 nan 0.000 0.451 243 G N 0.535 109.404 108.800 0.114 0.000 2.160 243 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.251 243 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.251 243 G C 0.173 175.098 174.900 0.043 0.000 1.008 243 G CA 0.441 45.575 45.100 0.057 0.000 0.724 243 G HN 0.442 nan 8.290 nan 0.000 0.514 244 R N -0.742 119.789 120.500 0.052 0.000 2.855 244 R HA 0.471 4.811 4.340 -0.001 0.000 0.266 244 R C 0.129 176.454 176.300 0.042 0.000 1.034 244 R CA -0.984 55.137 56.100 0.035 0.000 0.944 244 R CB 0.439 30.739 30.300 0.000 0.000 1.219 244 R HN 0.379 nan 8.270 nan 0.000 0.474 245 Q N 1.168 120.997 119.800 0.047 0.000 2.283 245 Q HA 0.106 4.446 4.340 -0.001 0.000 0.301 245 Q C -0.923 175.109 176.000 0.053 0.000 1.063 245 Q CA 0.348 56.185 55.803 0.056 0.000 0.952 245 Q CB 0.614 29.392 28.738 0.067 0.000 1.166 245 Q HN 0.272 nan 8.270 nan 0.000 0.381 246 V N 6.168 126.118 119.914 0.059 0.000 2.459 246 V HA 0.391 4.510 4.120 -0.001 0.000 0.295 246 V C -0.164 175.982 176.094 0.087 0.000 1.029 246 V CA -0.743 61.596 62.300 0.065 0.000 0.874 246 V CB 1.693 33.548 31.823 0.053 0.000 0.985 246 V HN 0.719 nan 8.190 nan 0.000 0.438 247 I N 4.307 124.948 120.570 0.118 0.000 2.404 247 I HA 0.465 4.635 4.170 -0.001 0.000 0.293 247 I C 0.523 176.753 176.117 0.187 0.000 0.992 247 I CA 0.006 61.409 61.300 0.171 0.000 1.149 247 I CB 2.272 40.409 38.000 0.229 0.000 1.315 247 I HN 0.798 nan 8.210 nan 0.000 0.446 248 T N 4.212 118.872 114.554 0.176 0.000 2.952 248 T HA 0.755 5.104 4.350 -0.001 0.000 0.286 248 T C -0.741 174.100 174.700 0.235 0.000 1.024 248 T CA -0.491 61.685 62.100 0.128 0.000 1.029 248 T CB 1.960 70.837 68.868 0.015 0.000 1.094 248 T HN 0.469 nan 8.240 nan 0.000 0.515 249 Y N -1.652 118.688 120.300 0.066 0.000 2.571 249 Y HA 0.819 5.368 4.550 -0.001 0.000 0.341 249 Y C -0.153 175.736 175.900 -0.019 0.000 1.076 249 Y CA -0.668 57.461 58.100 0.048 0.000 1.029 249 Y CB 1.254 39.721 38.460 0.012 0.000 1.308 249 Y HN 1.273 nan 8.280 nan 0.000 0.461 250 G N 0.573 109.388 108.800 0.025 0.000 2.357 250 G HA2 0.034 3.994 3.960 -0.001 0.000 0.289 250 G HA3 0.034 3.994 3.960 -0.001 0.000 0.289 250 G C -1.023 173.762 174.900 -0.191 0.000 1.302 250 G CA -0.570 44.453 45.100 -0.128 0.000 0.936 250 G HN 0.622 nan 8.290 nan 0.000 0.513 251 F N 1.158 121.090 119.950 -0.029 0.000 2.558 251 F HA 0.296 4.823 4.527 -0.001 0.000 0.298 251 F C 2.189 177.983 175.800 -0.010 0.000 1.119 251 F CA 0.964 58.954 58.000 -0.017 0.000 1.451 251 F CB 0.288 39.266 39.000 -0.037 0.000 1.091 251 F HN 0.397 nan 8.300 nan 0.000 0.563 252 S N 0.979 116.758 115.700 0.131 0.000 2.558 252 S HA -0.094 4.375 4.470 -0.001 0.000 0.293 252 S C 1.442 176.075 174.600 0.056 0.000 1.292 252 S CA -0.299 57.944 58.200 0.072 0.000 1.063 252 S CB 0.489 63.704 63.200 0.025 0.000 0.831 252 S HN 0.428 nan 8.310 nan 0.000 0.499 253 E N 2.736 122.965 120.200 0.049 0.000 2.265 253 E HA -0.175 4.175 4.350 -0.001 0.000 0.196 253 E C 1.350 177.963 176.600 0.022 0.000 0.996 253 E CA 1.047 57.469 56.400 0.038 0.000 0.832 253 E CB 0.004 29.723 29.700 0.032 0.000 0.756 253 E HN 0.674 nan 8.360 nan 0.000 0.491 254 Q N -0.203 119.607 119.800 0.017 0.000 2.360 254 Q HA 0.179 4.519 4.340 -0.001 0.000 0.202 254 Q C -0.113 175.890 176.000 0.006 0.000 0.915 254 Q CA -0.011 55.797 55.803 0.008 0.000 0.943 254 Q CB 0.806 29.548 28.738 0.006 0.000 1.064 254 Q HN 0.129 nan 8.270 nan 0.000 0.511 255 A N 0.673 123.499 122.820 0.010 0.000 2.462 255 A HA 0.023 4.342 4.320 -0.001 0.000 0.243 255 A C 0.492 178.088 177.584 0.020 0.000 1.076 255 A CA -0.194 51.854 52.037 0.018 0.000 0.773 255 A CB 0.333 19.346 19.000 0.022 0.000 1.010 255 A HN 0.174 nan 8.150 nan 0.000 0.493 256 D N 0.231 120.657 120.400 0.044 0.000 2.117 256 D HA -0.091 4.548 4.640 -0.001 0.000 0.198 256 D C -0.390 175.815 176.300 -0.159 0.000 0.982 256 D CA 1.860 55.844 54.000 -0.026 0.000 0.828 256 D CB -0.026 40.797 40.800 0.037 0.000 0.967 256 D HN 0.655 nan 8.370 nan 0.000 0.464 257 Y N 0.683 121.018 120.300 0.059 0.000 2.593 257 Y HA 0.274 4.824 4.550 -0.001 0.000 0.331 257 Y C 0.474 176.395 175.900 0.034 0.000 0.986 257 Y CA -0.603 57.530 58.100 0.054 0.000 1.262 257 Y CB 0.834 39.337 38.460 0.071 0.000 1.098 257 Y HN -0.309 nan 8.280 nan 0.000 0.506 258 R N 4.085 124.632 120.500 0.077 0.000 2.346 258 R HA 0.559 4.899 4.340 -0.001 0.000 0.311 258 R C -1.031 175.269 176.300 0.000 0.000 0.983 258 R CA -0.537 55.579 56.100 0.026 0.000 0.880 258 R CB 0.686 30.997 30.300 0.019 0.000 1.100 258 R HN 0.663 nan 8.270 nan 0.000 0.453 259 I N 3.865 124.352 120.570 -0.138 0.000 2.371 259 I HA 0.202 4.372 4.170 -0.001 0.000 0.290 259 I C 0.043 176.147 176.117 -0.023 0.000 1.028 259 I CA 0.052 61.224 61.300 -0.213 0.000 1.345 259 I CB 1.356 38.832 38.000 -0.872 0.000 1.407 259 I HN 0.554 nan 8.210 nan 0.000 0.501 260 E N 4.617 124.898 120.200 0.136 0.000 2.343 260 E HA 0.267 4.616 4.350 -0.001 0.000 0.270 260 E C -1.097 175.662 176.600 0.265 0.000 0.895 260 E CA -0.778 55.745 56.400 0.205 0.000 0.767 260 E CB 1.595 31.380 29.700 0.140 0.000 1.248 260 E HN 0.514 nan 8.360 nan 0.000 0.440 261 D N 0.905 121.458 120.400 0.255 0.000 2.746 261 D HA -0.244 4.395 4.640 -0.001 0.000 0.236 261 D C -0.837 175.632 176.300 0.282 0.000 1.129 261 D CA 0.870 55.001 54.000 0.219 0.000 0.691 261 D CB -1.625 39.262 40.800 0.145 0.000 1.077 261 D HN 0.421 nan 8.370 nan 0.000 0.432 262 Y N 1.689 122.156 120.300 0.278 0.000 2.526 262 Y HA 0.192 4.742 4.550 -0.001 0.000 0.330 262 Y C 0.825 176.851 175.900 0.209 0.000 1.156 262 Y CA 0.298 58.580 58.100 0.302 0.000 1.419 262 Y CB 0.579 39.255 38.460 0.359 0.000 1.250 262 Y HN 0.076 nan 8.280 nan 0.000 0.540 263 E N 5.155 125.040 120.200 -0.525 0.000 2.356 263 E HA 0.277 4.627 4.350 -0.001 0.000 0.275 263 E C -1.791 174.489 176.600 -0.533 0.000 0.904 263 E CA -1.279 54.893 56.400 -0.381 0.000 0.757 263 E CB 2.143 31.772 29.700 -0.118 0.000 1.232 263 E HN 0.676 nan 8.360 nan 0.000 0.442 264 Q N 1.402 121.093 119.800 -0.182 0.000 2.316 264 Q HA 0.366 4.706 4.340 -0.001 0.000 0.264 264 Q C -1.303 174.721 176.000 0.040 0.000 0.987 264 Q CA -0.541 55.255 55.803 -0.012 0.000 0.852 264 Q CB 1.725 30.565 28.738 0.169 0.000 1.287 264 Q HN 0.696 nan 8.270 nan 0.000 0.448 265 T N 0.976 115.581 114.554 0.086 0.000 2.847 265 T HA 0.685 5.035 4.350 -0.001 0.000 0.291 265 T C 0.621 175.320 174.700 -0.001 0.000 0.998 265 T CA 0.110 62.233 62.100 0.039 0.000 0.967 265 T CB 1.372 70.274 68.868 0.056 0.000 0.954 265 T HN 0.962 nan 8.240 nan 0.000 0.441 266 G N 2.998 111.734 108.800 -0.108 0.000 2.583 266 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.292 266 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.292 266 G C -0.100 174.563 174.900 -0.395 0.000 1.203 266 G CA 0.376 45.315 45.100 -0.269 0.000 0.987 266 G HN 0.777 nan 8.290 nan 0.000 0.554 267 F N 2.870 122.887 119.950 0.111 0.000 2.750 267 F HA 0.431 4.958 4.527 -0.001 0.000 0.297 267 F C 1.308 177.109 175.800 0.002 0.000 1.138 267 F CA 0.101 58.120 58.000 0.032 0.000 1.346 267 F CB 0.498 39.521 39.000 0.037 0.000 0.965 267 F HN 0.284 nan 8.300 nan 0.000 0.514 268 Q N -0.068 119.798 119.800 0.110 0.000 2.306 268 Q HA 0.659 4.999 4.340 -0.001 0.000 0.265 268 Q C 0.237 176.208 176.000 -0.048 0.000 1.022 268 Q CA -0.822 54.987 55.803 0.011 0.000 0.853 268 Q CB 2.461 31.165 28.738 -0.057 0.000 1.327 268 Q HN 0.324 nan 8.270 nan 0.000 0.449 269 G N 0.961 109.704 108.800 -0.094 0.000 2.400 269 G HA2 0.502 4.462 3.960 -0.001 0.000 0.333 269 G HA3 0.502 4.462 3.960 -0.001 0.000 0.333 269 G C -0.991 173.693 174.900 -0.359 0.000 1.143 269 G CA -0.226 44.824 45.100 -0.084 0.000 0.914 269 G HN 0.521 nan 8.290 nan 0.000 0.480 270 H N 0.398 119.371 119.070 -0.161 0.000 2.667 270 H HA 0.463 5.018 4.556 -0.001 0.000 0.353 270 H C -1.114 174.212 175.328 -0.004 0.000 1.072 270 H CA -0.192 55.773 56.048 -0.137 0.000 1.214 270 H CB 2.224 31.903 29.762 -0.138 0.000 1.600 270 H HN 0.730 nan 8.280 nan 0.000 0.527 271 Y N -1.157 119.182 120.300 0.064 0.000 2.750 271 Y HA 0.474 5.024 4.550 -0.001 0.000 0.335 271 Y C -1.190 174.754 175.900 0.073 0.000 1.252 271 Y CA -1.058 57.102 58.100 0.101 0.000 1.064 271 Y CB 0.915 39.503 38.460 0.214 0.000 1.321 271 Y HN 0.314 nan 8.280 nan 0.000 0.451 272 T N 1.733 116.444 114.554 0.262 0.000 2.856 272 T HA 0.659 5.008 4.350 -0.001 0.000 0.283 272 T C -1.158 173.674 174.700 0.221 0.000 1.008 272 T CA -0.708 61.481 62.100 0.148 0.000 0.997 272 T CB 1.746 70.674 68.868 0.100 0.000 0.992 272 T HN 0.581 nan 8.240 nan 0.000 0.454 273 V N 4.182 124.192 119.914 0.161 0.000 2.459 273 V HA 0.458 4.578 4.120 -0.001 0.000 0.295 273 V C -0.489 175.667 176.094 0.104 0.000 1.029 273 V CA -0.948 61.451 62.300 0.166 0.000 0.874 273 V CB 1.565 33.512 31.823 0.207 0.000 0.985 273 V HN 0.708 nan 8.190 nan 0.000 0.438 274 I N 3.674 124.287 120.570 0.072 0.000 2.312 274 I HA 0.339 4.508 4.170 -0.001 0.000 0.290 274 I C 0.459 176.549 176.117 -0.045 0.000 1.008 274 I CA -0.191 61.120 61.300 0.018 0.000 1.226 274 I CB 0.952 38.956 38.000 0.007 0.000 1.371 274 I HN 0.595 nan 8.210 nan 0.000 0.468 275 C N 8.127 127.370 119.300 -0.094 0.000 2.563 275 C HA 0.165 4.624 4.460 -0.001 0.000 0.358 275 C C -0.374 174.399 174.990 -0.362 0.000 1.336 275 C CA -0.534 58.277 59.018 -0.345 0.000 2.454 275 C CB 0.169 27.817 27.740 -0.155 0.000 2.448 275 C HN 0.593 nan 8.230 nan 0.000 0.670 276 P HA -0.107 nan 4.420 nan 0.000 0.217 276 P C 0.711 177.924 177.300 -0.146 0.000 1.148 276 P CA 1.436 64.369 63.100 -0.279 0.000 0.828 276 P CB -0.134 31.413 31.700 -0.255 0.000 0.783 277 N N -1.692 116.937 118.700 -0.120 0.000 2.295 277 N HA 0.019 4.759 4.740 -0.001 0.000 0.221 277 N C 0.032 175.513 175.510 -0.049 0.000 1.129 277 N CA -0.303 52.710 53.050 -0.062 0.000 0.836 277 N CB -1.212 37.254 38.487 -0.036 0.000 1.040 277 N HN -0.091 nan 8.380 nan 0.000 0.494 278 N N -0.238 118.425 118.700 -0.063 0.000 2.909 278 N HA -0.220 4.519 4.740 -0.001 0.000 0.242 278 N C -0.559 174.937 175.510 -0.025 0.000 0.975 278 N CA 0.895 53.921 53.050 -0.040 0.000 0.921 278 N CB -1.234 37.238 38.487 -0.025 0.000 1.112 278 N HN 0.785 nan 8.380 nan 0.000 0.581 279 E N 0.982 121.167 120.200 -0.025 0.000 2.452 279 E HA 0.030 4.380 4.350 -0.001 0.000 0.261 279 E C -0.202 176.401 176.600 0.005 0.000 0.987 279 E CA 0.226 56.623 56.400 -0.005 0.000 0.926 279 E CB 0.518 30.221 29.700 0.006 0.000 0.934 279 E HN 0.117 nan 8.360 nan 0.000 0.452 280 R N 4.388 124.895 120.500 0.011 0.000 2.393 280 R HA 0.480 4.819 4.340 -0.001 0.000 0.310 280 R C -0.546 175.766 176.300 0.020 0.000 0.968 280 R CA -0.561 55.551 56.100 0.020 0.000 0.867 280 R CB 1.131 31.440 30.300 0.015 0.000 1.124 280 R HN 0.500 nan 8.270 nan 0.000 0.450 281 I N 2.869 123.456 120.570 0.028 0.000 2.439 281 I HA 0.226 4.395 4.170 -0.001 0.000 0.285 281 I C -0.675 175.431 176.117 -0.017 0.000 1.021 281 I CA -0.972 60.333 61.300 0.009 0.000 1.091 281 I CB 1.865 39.879 38.000 0.023 0.000 1.242 281 I HN 0.414 nan 8.210 nan 0.000 0.439 282 N N 6.146 124.821 118.700 -0.041 0.000 2.408 282 N HA 0.321 5.061 4.740 -0.001 0.000 0.257 282 N C -0.629 174.790 175.510 -0.152 0.000 1.064 282 N CA -0.187 52.818 53.050 -0.075 0.000 0.952 282 N CB 2.024 40.485 38.487 -0.044 0.000 1.093 282 N HN 0.197 nan 8.380 nan 0.000 0.490 283 V N 2.717 122.443 119.914 -0.313 0.000 2.483 283 V HA 0.380 4.500 4.120 -0.001 0.000 0.295 283 V C -0.045 175.770 176.094 -0.464 0.000 1.035 283 V CA -0.948 61.084 62.300 -0.447 0.000 0.896 283 V CB 1.815 33.146 31.823 -0.820 0.000 0.986 283 V HN 0.419 nan 8.190 nan 0.000 0.447 284 L N 5.861 126.902 121.223 -0.303 0.000 2.296 284 L HA 0.727 5.067 4.340 -0.001 0.000 0.286 284 L C -0.967 175.761 176.870 -0.237 0.000 1.023 284 L CA -0.230 54.428 54.840 -0.303 0.000 0.812 284 L CB 1.361 43.313 42.059 -0.179 0.000 1.223 284 L HN 0.627 nan 8.230 nan 0.000 0.421 285 L N 4.637 125.734 121.223 -0.211 0.000 2.333 285 L HA 0.532 4.871 4.340 -0.001 0.000 0.280 285 L C 0.153 177.024 176.870 0.002 0.000 1.004 285 L CA -0.017 54.801 54.840 -0.035 0.000 0.820 285 L CB 1.606 43.744 42.059 0.131 0.000 1.247 285 L HN 0.739 nan 8.230 nan 0.000 0.416 286 N N 2.874 121.618 118.700 0.073 0.000 2.362 286 N HA 0.176 4.916 4.740 -0.001 0.000 0.211 286 N C -0.906 174.671 175.510 0.113 0.000 1.170 286 N CA 0.334 53.431 53.050 0.079 0.000 0.828 286 N CB -0.003 38.534 38.487 0.083 0.000 1.034 286 N HN 0.431 nan 8.380 nan 0.000 0.475 287 V N -2.955 117.034 119.914 0.125 0.000 3.007 287 V HA 0.770 4.890 4.120 -0.001 0.000 0.311 287 V C -2.769 173.346 176.094 0.036 0.000 1.120 287 V CA -2.187 60.166 62.300 0.088 0.000 0.980 287 V CB 2.182 34.093 31.823 0.147 0.000 1.033 287 V HN -0.136 nan 8.190 nan 0.000 0.429 288 P HA 0.653 nan 4.420 nan 0.000 0.280 288 P C 0.179 177.418 177.300 -0.101 0.000 1.272 288 P CA 0.593 63.669 63.100 -0.039 0.000 0.819 288 P CB 1.588 33.203 31.700 -0.143 0.000 1.122 289 G N 0.753 109.592 108.800 0.066 0.000 2.722 289 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.686 289 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.686 289 G C 0.533 175.297 174.900 -0.227 0.000 1.282 289 G CA -0.241 44.859 45.100 -0.000 0.000 0.817 289 G HN 0.510 nan 8.290 nan 0.000 0.605 290 K N 0.359 120.565 120.400 -0.324 0.000 2.209 290 K HA -0.141 4.179 4.320 -0.001 0.000 0.204 290 K C 2.238 178.741 176.600 -0.163 0.000 1.048 290 K CA 1.718 57.724 56.287 -0.468 0.000 0.940 290 K CB -0.175 32.068 32.500 -0.427 0.000 0.729 290 K HN 0.820 nan 8.250 nan 0.000 0.451 291 H N 0.241 119.250 119.070 -0.102 0.000 2.389 291 H HA 0.028 4.584 4.556 -0.001 0.000 0.299 291 H C 1.359 176.671 175.328 -0.027 0.000 1.081 291 H CA 0.867 56.890 56.048 -0.041 0.000 1.345 291 H CB -0.312 29.424 29.762 -0.044 0.000 1.393 291 H HN 0.126 nan 8.280 nan 0.000 0.520 292 N N 1.466 119.769 118.700 -0.661 0.000 2.244 292 N HA -0.028 4.711 4.740 -0.001 0.000 0.183 292 N C 2.177 177.579 175.510 -0.180 0.000 1.016 292 N CA 1.337 54.185 53.050 -0.336 0.000 0.866 292 N CB -0.280 38.032 38.487 -0.293 0.000 0.980 292 N HN 0.514 nan 8.380 nan 0.000 0.430 293 A N 1.430 124.128 122.820 -0.204 0.000 1.933 293 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 293 A C 2.389 179.790 177.584 -0.305 0.000 1.175 293 A CA 0.870 52.712 52.037 -0.325 0.000 0.628 293 A CB -0.671 17.930 19.000 -0.666 0.000 0.814 293 A HN 0.186 nan 8.150 nan 0.000 0.444 294 L N -0.288 120.835 121.223 -0.167 0.000 1.994 294 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 294 L C 2.397 179.241 176.870 -0.043 0.000 1.071 294 L CA 1.423 56.262 54.840 -0.002 0.000 0.745 294 L CB -0.749 41.404 42.059 0.158 0.000 0.892 294 L HN 0.362 nan 8.230 nan 0.000 0.431 295 N N 0.452 119.116 118.700 -0.060 0.000 2.094 295 N HA -0.196 4.544 4.740 -0.001 0.000 0.191 295 N C 1.771 177.141 175.510 -0.234 0.000 1.023 295 N CA 1.741 54.718 53.050 -0.122 0.000 0.857 295 N CB -0.412 38.026 38.487 -0.082 0.000 1.013 295 N HN 0.351 nan 8.380 nan 0.000 0.426 296 A N -0.169 122.531 122.820 -0.200 0.000 2.066 296 A HA -0.009 4.311 4.320 -0.001 0.000 0.218 296 A C 2.179 179.652 177.584 -0.186 0.000 1.157 296 A CA 1.363 53.283 52.037 -0.195 0.000 0.670 296 A CB -0.517 18.438 19.000 -0.076 0.000 0.804 296 A HN 0.285 nan 8.150 nan 0.000 0.453 297 T N -0.257 114.159 114.554 -0.229 0.000 2.978 297 T HA 0.178 4.528 4.350 -0.001 0.000 0.262 297 T C 2.222 176.576 174.700 -0.576 0.000 1.063 297 T CA 0.890 62.834 62.100 -0.260 0.000 1.140 297 T CB -0.189 68.602 68.868 -0.129 0.000 0.886 297 T HN 0.539 nan 8.240 nan 0.000 0.470 298 A N 1.773 123.986 122.820 -1.012 0.000 1.908 298 A HA 0.066 4.386 4.320 -0.001 0.000 0.218 298 A C 2.608 179.878 177.584 -0.524 0.000 1.181 298 A CA 1.914 53.261 52.037 -1.150 0.000 0.627 298 A CB -1.086 17.338 19.000 -0.961 0.000 0.818 298 A HN 0.501 nan 8.150 nan 0.000 0.445 299 A N -0.468 122.120 122.820 -0.387 0.000 1.898 299 A HA -0.015 4.304 4.320 -0.001 0.000 0.216 299 A C 2.230 179.684 177.584 -0.216 0.000 1.181 299 A CA 1.472 53.359 52.037 -0.249 0.000 0.620 299 A CB -0.625 18.233 19.000 -0.236 0.000 0.819 299 A HN 0.722 nan 8.150 nan 0.000 0.442 300 L N -0.753 120.325 121.223 -0.240 0.000 2.083 300 L HA -0.096 4.243 4.340 -0.001 0.000 0.209 300 L C 2.684 179.340 176.870 -0.356 0.000 1.083 300 L CA 1.584 56.296 54.840 -0.213 0.000 0.752 300 L CB -0.345 41.629 42.059 -0.140 0.000 0.899 300 L HN 0.362 nan 8.230 nan 0.000 0.433 301 A N -0.530 121.956 122.820 -0.558 0.000 1.877 301 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 301 A C 2.204 179.515 177.584 -0.454 0.000 1.186 301 A CA 1.947 53.414 52.037 -0.950 0.000 0.620 301 A CB -1.049 17.458 19.000 -0.822 0.000 0.822 301 A HN 0.318 nan 8.150 nan 0.000 0.443 302 V N -0.087 119.678 119.914 -0.249 0.000 2.287 302 V HA -0.273 3.846 4.120 -0.001 0.000 0.248 302 V C 3.074 179.169 176.094 0.002 0.000 1.053 302 V CA 2.069 64.327 62.300 -0.070 0.000 1.027 302 V CB -1.288 30.521 31.823 -0.023 0.000 0.646 302 V HN 0.632 nan 8.190 nan 0.000 0.447 303 A N -0.385 122.423 122.820 -0.019 0.000 1.877 303 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 303 A C 2.298 179.842 177.584 -0.066 0.000 1.186 303 A CA 1.721 53.744 52.037 -0.024 0.000 0.620 303 A CB -0.442 18.512 19.000 -0.076 0.000 0.822 303 A HN 0.421 nan 8.150 nan 0.000 0.443 304 K N -0.153 120.197 120.400 -0.083 0.000 2.057 304 K HA -0.117 4.203 4.320 -0.001 0.000 0.207 304 K C 1.762 178.392 176.600 0.051 0.000 1.049 304 K CA 1.222 57.507 56.287 -0.003 0.000 0.931 304 K CB -0.377 32.168 32.500 0.076 0.000 0.714 304 K HN 0.487 nan 8.250 nan 0.000 0.440 305 E N 1.021 121.247 120.200 0.044 0.000 2.204 305 E HA -0.149 4.201 4.350 -0.001 0.000 0.195 305 E C 1.373 178.024 176.600 0.086 0.000 0.990 305 E CA 0.840 57.299 56.400 0.098 0.000 0.821 305 E CB 0.061 29.820 29.700 0.099 0.000 0.750 305 E HN 0.421 nan 8.360 nan 0.000 0.477 306 E N -0.502 119.739 120.200 0.069 0.000 2.465 306 E HA 0.105 4.454 4.350 -0.001 0.000 0.191 306 E C 0.721 177.324 176.600 0.005 0.000 1.053 306 E CA 0.373 56.816 56.400 0.072 0.000 0.869 306 E CB 0.454 30.231 29.700 0.128 0.000 0.977 306 E HN 0.307 nan 8.360 nan 0.000 0.483 307 G N 1.971 110.768 108.800 -0.004 0.000 2.141 307 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.242 307 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.242 307 G C 0.309 175.167 174.900 -0.069 0.000 0.982 307 G CA -0.114 44.973 45.100 -0.021 0.000 0.662 307 G HN 0.239 nan 8.290 nan 0.000 0.527 308 I N 1.456 121.953 120.570 -0.121 0.000 2.634 308 I HA 0.429 4.598 4.170 -0.001 0.000 0.284 308 I C 1.276 177.329 176.117 -0.107 0.000 1.124 308 I CA 0.062 61.259 61.300 -0.171 0.000 1.417 308 I CB 1.118 38.939 38.000 -0.299 0.000 1.396 308 I HN 0.343 nan 8.210 nan 0.000 0.571 309 A N 5.076 127.838 122.820 -0.098 0.000 2.386 309 A HA 0.168 4.488 4.320 -0.001 0.000 0.248 309 A C 1.051 178.598 177.584 -0.061 0.000 1.082 309 A CA -0.430 51.569 52.037 -0.063 0.000 0.789 309 A CB 0.184 19.152 19.000 -0.054 0.000 1.025 309 A HN 0.815 nan 8.150 nan 0.000 0.490 310 N N 0.828 119.504 118.700 -0.040 0.000 2.137 310 N HA -0.173 4.566 4.740 -0.001 0.000 0.190 310 N C 1.305 176.789 175.510 -0.044 0.000 1.017 310 N CA 1.978 55.006 53.050 -0.037 0.000 0.859 310 N CB -0.315 38.158 38.487 -0.023 0.000 1.002 310 N HN 0.774 nan 8.380 nan 0.000 0.428 311 E N 0.732 120.907 120.200 -0.041 0.000 2.058 311 E HA -0.062 4.288 4.350 -0.001 0.000 0.194 311 E C 1.934 178.507 176.600 -0.045 0.000 0.997 311 E CA 1.429 57.806 56.400 -0.039 0.000 0.801 311 E CB -0.392 29.288 29.700 -0.032 0.000 0.746 311 E HN 0.413 nan 8.360 nan 0.000 0.450 312 A N 0.259 123.045 122.820 -0.056 0.000 1.929 312 A HA -0.082 4.238 4.320 -0.001 0.000 0.216 312 A C 2.223 179.769 177.584 -0.063 0.000 1.176 312 A CA 0.895 52.896 52.037 -0.061 0.000 0.628 312 A CB -0.519 18.429 19.000 -0.086 0.000 0.816 312 A HN 0.179 nan 8.150 nan 0.000 0.444 313 I N -0.309 120.217 120.570 -0.073 0.000 2.179 313 I HA -0.264 3.906 4.170 -0.001 0.000 0.242 313 I C 2.345 178.423 176.117 -0.064 0.000 1.088 313 I CA 1.227 62.483 61.300 -0.073 0.000 1.357 313 I CB -0.304 37.651 38.000 -0.075 0.000 1.051 313 I HN 0.277 nan 8.210 nan 0.000 0.409 314 L N 0.182 121.370 121.223 -0.058 0.000 2.141 314 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 314 L C 2.575 179.418 176.870 -0.045 0.000 1.094 314 L CA 1.076 55.879 54.840 -0.061 0.000 0.763 314 L CB -0.479 41.546 42.059 -0.057 0.000 0.908 314 L HN 0.253 nan 8.230 nan 0.000 0.437 315 E N 0.782 120.961 120.200 -0.034 0.000 2.047 315 E HA -0.196 4.153 4.350 -0.001 0.000 0.191 315 E C 2.131 178.730 176.600 -0.001 0.000 0.987 315 E CA 1.600 57.989 56.400 -0.018 0.000 0.799 315 E CB -0.120 29.570 29.700 -0.016 0.000 0.752 315 E HN 0.329 nan 8.360 nan 0.000 0.449 316 A N 0.520 123.337 122.820 -0.005 0.000 1.933 316 A HA -0.111 4.209 4.320 -0.001 0.000 0.218 316 A C 2.331 179.944 177.584 0.048 0.000 1.175 316 A CA 1.492 53.543 52.037 0.024 0.000 0.628 316 A CB -0.656 18.345 19.000 0.000 0.000 0.814 316 A HN 0.355 nan 8.150 nan 0.000 0.444 317 L N -1.208 120.010 121.223 -0.008 0.000 2.131 317 L HA -0.075 4.265 4.340 -0.001 0.000 0.206 317 L C 3.034 179.926 176.870 0.038 0.000 1.087 317 L CA 0.856 55.690 54.840 -0.012 0.000 0.767 317 L CB -0.539 41.476 42.059 -0.073 0.000 0.917 317 L HN 0.419 nan 8.230 nan 0.000 0.441 318 A N -0.403 122.419 122.820 0.003 0.000 1.969 318 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 318 A C 1.791 179.395 177.584 0.033 0.000 1.169 318 A CA 2.027 54.062 52.037 -0.003 0.000 0.635 318 A CB -0.373 18.614 19.000 -0.022 0.000 0.810 318 A HN 0.374 nan 8.150 nan 0.000 0.445 319 D N -2.195 118.238 120.400 0.056 0.000 2.363 319 D HA 0.121 4.760 4.640 -0.001 0.000 0.214 319 D C -0.030 176.323 176.300 0.087 0.000 1.093 319 D CA -0.602 53.431 54.000 0.054 0.000 0.837 319 D CB -0.280 40.539 40.800 0.033 0.000 0.948 319 D HN 0.196 nan 8.370 nan 0.000 0.507 320 F N 1.500 121.434 119.950 -0.027 0.000 2.590 320 F HA 0.070 4.597 4.527 -0.001 0.000 0.389 320 F C 1.121 176.912 175.800 -0.016 0.000 1.049 320 F CA 0.465 58.448 58.000 -0.028 0.000 1.199 320 F CB 0.929 39.909 39.000 -0.034 0.000 1.058 320 F HN -0.084 nan 8.300 nan 0.000 0.556 321 Q N 4.794 124.170 119.800 -0.707 0.000 2.319 321 Q HA 0.272 4.611 4.340 -0.001 0.000 0.202 321 Q C 0.952 176.534 176.000 -0.697 0.000 0.896 321 Q CA 0.570 56.069 55.803 -0.508 0.000 0.942 321 Q CB 0.076 28.630 28.738 -0.306 0.000 1.083 321 Q HN 1.007 nan 8.270 nan 0.000 0.510 322 G N 0.769 108.638 108.800 -1.551 0.000 2.746 322 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.685 322 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.685 322 G C -0.627 173.999 174.900 -0.457 0.000 1.350 322 G CA -0.499 44.055 45.100 -0.910 0.000 0.837 322 G HN 0.411 nan 8.290 nan 0.000 0.564 323 A N -0.038 122.704 122.820 -0.130 0.000 2.293 323 A HA 0.900 5.219 4.320 -0.001 0.000 0.302 323 A C 1.203 178.739 177.584 -0.080 0.000 1.119 323 A CA 0.777 52.769 52.037 -0.074 0.000 0.823 323 A CB 0.777 19.768 19.000 -0.015 0.000 1.097 323 A HN 2.492 nan 8.150 nan 0.000 0.491 324 G N -0.211 108.542 108.800 -0.078 0.000 2.353 324 G HA2 0.382 4.342 3.960 -0.001 0.000 0.239 324 G HA3 0.382 4.342 3.960 -0.001 0.000 0.239 324 G C 0.630 175.499 174.900 -0.052 0.000 1.295 324 G CA 0.235 45.297 45.100 -0.063 0.000 0.884 324 G HN 1.032 nan 8.290 nan 0.000 0.537 325 R N -0.687 119.800 120.500 -0.022 0.000 3.922 325 R HA -0.151 4.188 4.340 -0.001 0.000 0.447 325 R C 0.024 176.364 176.300 0.066 0.000 1.035 325 R CA 1.073 57.187 56.100 0.023 0.000 1.289 325 R CB -0.922 29.421 30.300 0.071 0.000 1.906 325 R HN 0.452 nan 8.270 nan 0.000 0.540 326 R N 0.724 121.257 120.500 0.056 0.000 2.233 326 R HA 0.248 4.587 4.340 -0.001 0.000 0.334 326 R C -0.232 176.177 176.300 0.182 0.000 1.037 326 R CA -0.576 55.602 56.100 0.130 0.000 0.920 326 R CB -0.113 30.261 30.300 0.122 0.000 1.137 326 R HN 0.211 nan 8.270 nan 0.000 0.492 327 F N 0.997 120.948 119.950 0.002 0.000 2.907 327 F HA -0.316 4.211 4.527 -0.001 0.000 0.244 327 F C -0.327 175.416 175.800 -0.096 0.000 1.007 327 F CA 0.627 58.588 58.000 -0.065 0.000 0.872 327 F CB -0.400 38.559 39.000 -0.068 0.000 0.767 327 F HN 0.462 nan 8.300 nan 0.000 0.837 328 D N 3.026 123.385 120.400 -0.068 0.000 2.396 328 D HA 0.142 4.781 4.640 -0.001 0.000 0.225 328 D C -0.149 176.084 176.300 -0.112 0.000 1.121 328 D CA -0.047 53.921 54.000 -0.053 0.000 0.853 328 D CB 0.587 41.362 40.800 -0.042 0.000 1.043 328 D HN 0.387 nan 8.370 nan 0.000 0.500 329 Q N 3.897 123.648 119.800 -0.082 0.000 2.286 329 Q HA 0.100 4.439 4.340 -0.001 0.000 0.267 329 Q C 1.104 177.089 176.000 -0.026 0.000 1.028 329 Q CA 0.030 55.781 55.803 -0.086 0.000 0.901 329 Q CB 1.863 30.585 28.738 -0.027 0.000 1.183 329 Q HN 0.560 nan 8.270 nan 0.000 0.392 330 L N 1.214 122.440 121.223 0.004 0.000 2.375 330 L HA 0.165 4.505 4.340 -0.001 0.000 0.215 330 L C 1.003 177.947 176.870 0.123 0.000 1.108 330 L CA 0.521 55.413 54.840 0.087 0.000 0.830 330 L CB -0.000 42.133 42.059 0.124 0.000 0.959 330 L HN 0.899 nan 8.230 nan 0.000 0.457 331 G N 0.057 108.898 108.800 0.067 0.000 2.361 331 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.331 331 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.331 331 G C -1.427 173.359 174.900 -0.189 0.000 1.324 331 G CA -0.905 44.111 45.100 -0.141 0.000 0.984 331 G HN 0.055 nan 8.290 nan 0.000 0.586 332 E N -0.823 119.178 120.200 -0.332 0.000 2.214 332 E HA 0.687 5.037 4.350 -0.001 0.000 0.274 332 E C -1.282 175.018 176.600 -0.500 0.000 0.977 332 E CA -0.471 55.822 56.400 -0.179 0.000 0.827 332 E CB 1.786 31.466 29.700 -0.033 0.000 1.130 332 E HN 0.299 nan 8.360 nan 0.000 0.394 333 F N 1.332 121.338 119.950 0.093 0.000 2.557 333 F HA 0.398 4.924 4.527 -0.001 0.000 0.316 333 F C -0.206 175.556 175.800 -0.063 0.000 1.141 333 F CA -0.758 57.273 58.000 0.052 0.000 0.922 333 F CB 1.130 40.233 39.000 0.171 0.000 1.194 333 F HN 0.243 nan 8.300 nan 0.000 0.443 334 I N 4.970 125.576 120.570 0.061 0.000 2.337 334 I HA 0.328 4.498 4.170 -0.001 0.000 0.291 334 I C 0.028 176.076 176.117 -0.115 0.000 1.046 334 I CA -0.361 60.927 61.300 -0.020 0.000 1.324 334 I CB 0.430 38.422 38.000 -0.013 0.000 1.409 334 I HN 0.485 nan 8.210 nan 0.000 0.494 335 R N 6.791 127.183 120.500 -0.180 0.000 2.787 335 R HA 0.382 4.722 4.340 -0.001 0.000 0.271 335 R C -1.792 174.417 176.300 -0.152 0.000 0.993 335 R CA -1.850 54.085 56.100 -0.276 0.000 0.993 335 R CB 0.900 30.931 30.300 -0.448 0.000 1.155 335 R HN 0.224 nan 8.270 nan 0.000 0.486 336 P HA -0.112 nan 4.420 nan 0.000 0.216 336 P C 0.397 177.661 177.300 -0.060 0.000 1.150 336 P CA 1.303 64.358 63.100 -0.076 0.000 0.843 336 P CB 0.290 31.952 31.700 -0.063 0.000 0.787 337 N N -0.739 117.919 118.700 -0.071 0.000 2.313 337 N HA 0.221 4.960 4.740 -0.001 0.000 0.207 337 N C 0.774 176.263 175.510 -0.035 0.000 1.141 337 N CA 0.706 53.730 53.050 -0.043 0.000 0.830 337 N CB 0.501 38.969 38.487 -0.031 0.000 1.008 337 N HN 0.142 nan 8.380 nan 0.000 0.481 338 G N 0.165 108.936 108.800 -0.048 0.000 2.339 338 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.381 338 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.381 338 G C -1.457 173.428 174.900 -0.026 0.000 1.400 338 G CA -0.999 44.087 45.100 -0.022 0.000 1.002 338 G HN 0.096 nan 8.290 nan 0.000 0.633 339 K N -0.184 120.225 120.400 0.014 0.000 2.258 339 K HA 0.656 4.975 4.320 -0.001 0.000 0.284 339 K C 0.351 177.013 176.600 0.103 0.000 1.051 339 K CA -0.495 55.817 56.287 0.041 0.000 0.923 339 K CB 1.135 33.663 32.500 0.048 0.000 1.046 339 K HN 1.284 nan 8.250 nan 0.000 0.474 340 V N 1.144 121.138 119.914 0.134 0.000 2.914 340 V HA 0.632 4.752 4.120 -0.001 0.000 0.314 340 V C -0.857 175.414 176.094 0.295 0.000 1.084 340 V CA -1.141 61.288 62.300 0.215 0.000 0.963 340 V CB 1.849 33.776 31.823 0.174 0.000 1.025 340 V HN 0.770 nan 8.190 nan 0.000 0.432 341 R N 2.542 123.200 120.500 0.263 0.000 2.445 341 R HA 0.601 4.941 4.340 -0.001 0.000 0.308 341 R C -1.428 174.945 176.300 0.123 0.000 0.961 341 R CA -0.731 55.484 56.100 0.192 0.000 0.862 341 R CB 1.883 32.221 30.300 0.063 0.000 1.144 341 R HN 0.795 nan 8.270 nan 0.000 0.447 342 L N 4.400 125.743 121.223 0.200 0.000 2.307 342 L HA 0.571 4.910 4.340 -0.001 0.000 0.284 342 L C -1.114 175.728 176.870 -0.047 0.000 1.023 342 L CA -0.764 54.137 54.840 0.102 0.000 0.810 342 L CB 1.929 44.112 42.059 0.206 0.000 1.231 342 L HN 0.339 nan 8.230 nan 0.000 0.423 343 V N 3.175 122.974 119.914 -0.190 0.000 2.733 343 V HA 0.341 4.460 4.120 -0.001 0.000 0.306 343 V C -0.884 175.042 176.094 -0.280 0.000 1.084 343 V CA -0.990 61.115 62.300 -0.325 0.000 0.905 343 V CB 2.375 33.783 31.823 -0.692 0.000 1.010 343 V HN 0.618 nan 8.190 nan 0.000 0.424 344 D N 2.665 122.937 120.400 -0.213 0.000 2.256 344 D HA 0.523 5.163 4.640 -0.001 0.000 0.250 344 D C -0.768 175.454 176.300 -0.131 0.000 1.093 344 D CA 0.222 54.137 54.000 -0.142 0.000 0.882 344 D CB 2.003 42.754 40.800 -0.081 0.000 1.185 344 D HN 0.718 nan 8.370 nan 0.000 0.437 345 D N 0.580 120.940 120.400 -0.067 0.000 2.879 345 D HA 0.096 4.735 4.640 -0.001 0.000 0.236 345 D C -0.221 176.140 176.300 0.102 0.000 1.171 345 D CA -0.595 53.418 54.000 0.023 0.000 0.868 345 D CB 1.017 41.824 40.800 0.012 0.000 1.598 345 D HN 0.277 nan 8.370 nan 0.000 0.497 346 Y N 2.517 122.835 120.300 0.030 0.000 2.561 346 Y HA 0.258 4.808 4.550 -0.001 0.000 0.291 346 Y C 1.252 177.216 175.900 0.107 0.000 1.141 346 Y CA 0.468 58.600 58.100 0.054 0.000 1.303 346 Y CB 0.288 38.782 38.460 0.056 0.000 1.015 346 Y HN 0.510 nan 8.280 nan 0.000 0.547 347 G N 0.039 108.912 108.800 0.122 0.000 2.265 347 G HA2 -0.000 3.960 3.960 -0.001 0.000 0.240 347 G HA3 -0.000 3.960 3.960 -0.001 0.000 0.240 347 G C -0.065 174.877 174.900 0.069 0.000 1.270 347 G CA 0.497 45.612 45.100 0.025 0.000 0.901 347 G HN 0.784 nan 8.290 nan 0.000 0.507 348 H N -0.595 118.534 119.070 0.098 0.000 3.400 348 H HA 0.220 4.776 4.556 -0.001 0.000 0.251 348 H C 0.756 176.310 175.328 0.377 0.000 1.040 348 H CA -0.235 55.930 56.048 0.194 0.000 1.175 348 H CB -0.035 29.693 29.762 -0.056 0.000 1.487 348 H HN 0.566 nan 8.280 nan 0.000 0.505 349 H N 2.468 121.498 119.070 -0.068 0.000 2.511 349 H HA 0.132 4.688 4.556 -0.001 0.000 0.346 349 H C -1.786 173.407 175.328 -0.225 0.000 1.128 349 H CA -2.132 53.895 56.048 -0.035 0.000 1.342 349 H CB 1.807 31.543 29.762 -0.043 0.000 1.470 349 H HN 0.018 nan 8.280 nan 0.000 0.546 350 P HA -0.146 nan 4.420 nan 0.000 0.217 350 P C 1.282 178.449 177.300 -0.221 0.000 1.151 350 P CA 1.842 64.611 63.100 -0.552 0.000 0.849 350 P CB 0.214 31.430 31.700 -0.807 0.000 0.787 351 T N -0.677 113.892 114.554 0.025 0.000 2.821 351 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 351 T C 1.580 176.108 174.700 -0.287 0.000 1.046 351 T CA 1.332 63.342 62.100 -0.149 0.000 1.139 351 T CB -0.599 68.115 68.868 -0.256 0.000 0.871 351 T HN 0.352 nan 8.240 nan 0.000 0.454 352 E N 0.463 120.489 120.200 -0.291 0.000 2.106 352 E HA -0.052 4.298 4.350 -0.001 0.000 0.192 352 E C 2.318 178.804 176.600 -0.191 0.000 0.984 352 E CA 0.706 56.926 56.400 -0.301 0.000 0.806 352 E CB -0.157 29.395 29.700 -0.247 0.000 0.750 352 E HN 0.234 nan 8.360 nan 0.000 0.458 353 V N 0.963 120.796 119.914 -0.135 0.000 2.427 353 V HA -0.177 3.943 4.120 -0.001 0.000 0.248 353 V C 2.312 178.327 176.094 -0.130 0.000 1.051 353 V CA 1.944 64.179 62.300 -0.108 0.000 1.048 353 V CB -0.885 30.846 31.823 -0.153 0.000 0.666 353 V HN 0.413 nan 8.190 nan 0.000 0.456 354 G N -0.351 108.352 108.800 -0.162 0.000 2.421 354 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.216 354 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.216 354 G C 1.689 176.504 174.900 -0.141 0.000 1.171 354 G CA 1.140 46.154 45.100 -0.143 0.000 0.775 354 G HN 0.367 nan 8.290 nan 0.000 0.543 355 V N 0.802 120.581 119.914 -0.225 0.000 2.490 355 V HA -0.163 3.957 4.120 -0.001 0.000 0.250 355 V C 3.147 179.106 176.094 -0.224 0.000 1.061 355 V CA 2.297 64.410 62.300 -0.312 0.000 1.064 355 V CB -0.592 30.880 31.823 -0.585 0.000 0.670 355 V HN 0.384 nan 8.190 nan 0.000 0.461 356 T N 0.173 114.639 114.554 -0.147 0.000 2.737 356 T HA -0.104 4.245 4.350 -0.001 0.000 0.265 356 T C 1.806 176.589 174.700 0.139 0.000 1.038 356 T CA 1.745 63.884 62.100 0.065 0.000 1.144 356 T CB -0.241 68.676 68.868 0.083 0.000 0.866 356 T HN 0.348 nan 8.240 nan 0.000 0.434 357 I N 1.014 121.615 120.570 0.052 0.000 2.208 357 I HA -0.204 3.965 4.170 -0.001 0.000 0.245 357 I C 2.534 178.709 176.117 0.097 0.000 1.097 357 I CA 1.234 62.573 61.300 0.065 0.000 1.363 357 I CB -0.301 37.703 38.000 0.006 0.000 1.051 357 I HN 0.142 nan 8.210 nan 0.000 0.413 358 K N 1.797 122.234 120.400 0.061 0.000 2.057 358 K HA -0.117 4.203 4.320 -0.001 0.000 0.207 358 K C 2.018 178.699 176.600 0.135 0.000 1.049 358 K CA 1.891 58.223 56.287 0.075 0.000 0.931 358 K CB -0.453 32.064 32.500 0.028 0.000 0.714 358 K HN 0.259 nan 8.250 nan 0.000 0.440 359 A N 0.508 123.420 122.820 0.153 0.000 1.930 359 A HA 0.049 4.369 4.320 -0.001 0.000 0.217 359 A C 2.368 180.107 177.584 0.259 0.000 1.175 359 A CA 1.778 53.912 52.037 0.162 0.000 0.627 359 A CB -0.991 18.050 19.000 0.069 0.000 0.815 359 A HN 0.446 nan 8.150 nan 0.000 0.443 360 A N 0.005 123.033 122.820 0.346 0.000 1.865 360 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 360 A C 2.257 180.112 177.584 0.451 0.000 1.191 360 A CA 1.519 53.849 52.037 0.488 0.000 0.623 360 A CB -0.520 18.663 19.000 0.305 0.000 0.826 360 A HN 0.441 nan 8.150 nan 0.000 0.444 361 R N -0.222 120.459 120.500 0.302 0.000 2.083 361 R HA -0.117 4.223 4.340 -0.001 0.000 0.237 361 R C 1.659 178.114 176.300 0.257 0.000 1.137 361 R CA 1.422 57.682 56.100 0.265 0.000 0.951 361 R CB -0.605 29.797 30.300 0.171 0.000 0.851 361 R HN 0.559 nan 8.270 nan 0.000 0.434 362 E N -0.490 119.846 120.200 0.227 0.000 2.472 362 E HA -0.054 4.295 4.350 -0.001 0.000 0.200 362 E C 1.466 178.153 176.600 0.146 0.000 1.046 362 E CA 0.852 57.357 56.400 0.174 0.000 0.871 362 E CB 0.036 29.838 29.700 0.171 0.000 0.806 362 E HN 0.467 nan 8.360 nan 0.000 0.533 363 G N -1.462 107.460 108.800 0.203 0.000 3.377 363 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.257 363 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.257 363 G C 0.574 175.544 174.900 0.117 0.000 1.038 363 G CA -0.409 44.648 45.100 -0.073 0.000 0.809 363 G HN 0.201 nan 8.290 nan 0.000 0.526 364 W N 1.168 122.476 121.300 0.014 0.000 2.467 364 W HA 0.287 4.946 4.660 -0.001 0.000 0.369 364 W C 1.241 177.789 176.519 0.048 0.000 0.938 364 W CA -0.125 57.263 57.345 0.072 0.000 1.845 364 W CB 0.714 30.300 29.460 0.210 0.000 1.167 364 W HN 0.323 nan 8.180 nan 0.000 0.558 365 G N 3.028 111.839 108.800 0.019 0.000 2.685 365 G HA2 -0.459 3.501 3.960 -0.001 0.000 0.329 365 G HA3 -0.459 3.501 3.960 -0.001 0.000 0.329 365 G C 0.225 175.116 174.900 -0.015 0.000 1.271 365 G CA 1.799 46.870 45.100 -0.049 0.000 1.003 365 G HN 0.374 nan 8.290 nan 0.000 0.549 366 D N 0.242 120.600 120.400 -0.069 0.000 2.501 366 D HA 0.397 5.037 4.640 -0.001 0.000 0.226 366 D C 0.628 176.923 176.300 -0.008 0.000 1.198 366 D CA -0.217 53.775 54.000 -0.015 0.000 0.830 366 D CB 0.451 41.239 40.800 -0.020 0.000 1.014 366 D HN 0.303 nan 8.370 nan 0.000 0.496 367 K N 0.738 121.104 120.400 -0.056 0.000 2.098 367 K HA 0.410 4.729 4.320 -0.001 0.000 0.244 367 K C 0.611 177.378 176.600 0.280 0.000 1.014 367 K CA -0.514 55.785 56.287 0.019 0.000 0.917 367 K CB 0.838 33.191 32.500 -0.246 0.000 1.072 367 K HN 0.088 nan 8.250 nan 0.000 0.477 368 R N 0.594 121.275 120.500 0.301 0.000 2.531 368 R HA 0.334 4.674 4.340 -0.001 0.000 0.273 368 R C 0.019 176.490 176.300 0.284 0.000 1.070 368 R CA -0.754 55.498 56.100 0.253 0.000 1.112 368 R CB 0.441 30.842 30.300 0.169 0.000 1.049 368 R HN 0.301 nan 8.270 nan 0.000 0.508 369 I N 2.804 123.481 120.570 0.179 0.000 2.339 369 I HA 0.247 4.416 4.170 -0.001 0.000 0.290 369 I C -0.109 176.047 176.117 0.064 0.000 0.994 369 I CA -0.732 60.628 61.300 0.099 0.000 1.191 369 I CB 1.440 39.489 38.000 0.082 0.000 1.343 369 I HN 0.257 nan 8.210 nan 0.000 0.458 370 V N 7.326 127.264 119.914 0.041 0.000 2.495 370 V HA 0.548 4.668 4.120 -0.001 0.000 0.298 370 V C -0.015 176.086 176.094 0.012 0.000 1.031 370 V CA -0.650 61.672 62.300 0.038 0.000 0.871 370 V CB 2.161 34.020 31.823 0.060 0.000 0.988 370 V HN 0.754 nan 8.190 nan 0.000 0.432 371 M N 5.355 124.966 119.600 0.017 0.000 2.535 371 M HA 0.670 5.149 4.480 -0.001 0.000 0.314 371 M C -1.780 174.543 176.300 0.038 0.000 1.153 371 M CA -0.597 54.713 55.300 0.016 0.000 0.924 371 M CB 2.093 34.701 32.600 0.014 0.000 1.710 371 M HN 0.556 nan 8.290 nan 0.000 0.451 372 I N 4.462 125.053 120.570 0.036 0.000 2.390 372 I HA 0.309 4.478 4.170 -0.001 0.000 0.283 372 I C -1.503 174.664 176.117 0.084 0.000 1.016 372 I CA -0.437 60.882 61.300 0.031 0.000 1.151 372 I CB 1.111 39.093 38.000 -0.030 0.000 1.293 372 I HN 0.557 nan 8.210 nan 0.000 0.458 373 F N 6.522 126.433 119.950 -0.065 0.000 2.427 373 F HA 0.382 4.908 4.527 -0.001 0.000 0.346 373 F C 0.024 175.771 175.800 -0.088 0.000 1.120 373 F CA -0.342 57.614 58.000 -0.073 0.000 1.033 373 F CB 1.268 40.229 39.000 -0.066 0.000 1.126 373 F HN 0.389 nan 8.300 nan 0.000 0.462 374 Q N 8.566 127.835 119.800 -0.886 0.000 2.394 374 Q HA 0.422 4.762 4.340 -0.001 0.000 0.259 374 Q C -2.632 172.637 176.000 -1.218 0.000 1.021 374 Q CA -2.339 52.980 55.803 -0.808 0.000 0.805 374 Q CB 1.435 29.913 28.738 -0.434 0.000 1.226 374 Q HN 0.356 nan 8.270 nan 0.000 0.476 375 P HA -0.047 nan 4.420 nan 0.000 0.269 375 P C -1.281 175.791 177.300 -0.380 0.000 1.209 375 P CA 0.200 62.861 63.100 -0.732 0.000 0.776 375 P CB 0.458 31.883 31.700 -0.457 0.000 0.876 376 H N 5.091 123.980 119.070 -0.301 0.000 2.551 376 H HA 0.395 4.950 4.556 -0.001 0.000 0.321 376 H C -0.163 175.084 175.328 -0.135 0.000 1.028 376 H CA -0.383 55.559 56.048 -0.176 0.000 1.215 376 H CB 0.322 29.962 29.762 -0.204 0.000 1.414 376 H HN 0.434 nan 8.280 nan 0.000 0.480 377 R N 2.842 123.115 120.500 -0.378 0.000 0.970 377 R HA -0.216 4.124 4.340 -0.001 0.000 0.431 377 R C -0.182 175.979 176.300 -0.232 0.000 1.364 377 R CA 0.464 56.402 56.100 -0.269 0.000 1.167 377 R CB -0.799 29.476 30.300 -0.041 0.000 3.395 377 R HN 0.644 nan 8.270 nan 0.000 0.514 378 Y N 0.796 121.073 120.300 -0.039 0.000 2.263 378 Y HA -0.199 4.351 4.550 -0.001 0.000 0.292 378 Y C 2.534 178.463 175.900 0.048 0.000 1.130 378 Y CA 1.531 59.629 58.100 -0.002 0.000 1.179 378 Y CB -0.074 38.377 38.460 -0.016 0.000 0.998 378 Y HN 0.764 nan 8.280 nan 0.000 0.532 379 S N 0.372 116.194 115.700 0.202 0.000 2.359 379 S HA -0.195 4.275 4.470 -0.001 0.000 0.224 379 S C 1.985 176.695 174.600 0.182 0.000 1.035 379 S CA 1.063 59.364 58.200 0.167 0.000 1.018 379 S CB -0.335 62.944 63.200 0.132 0.000 0.876 379 S HN 0.270 nan 8.310 nan 0.000 0.448 380 R N 1.149 121.761 120.500 0.186 0.000 2.148 380 R HA 0.103 4.442 4.340 -0.001 0.000 0.223 380 R C 2.414 178.920 176.300 0.342 0.000 1.088 380 R CA 1.370 57.621 56.100 0.253 0.000 0.985 380 R CB -1.850 28.624 30.300 0.289 0.000 0.880 380 R HN 0.521 nan 8.270 nan 0.000 0.451 381 T N 1.133 115.831 114.554 0.239 0.000 2.777 381 T HA -0.101 4.249 4.350 -0.001 0.000 0.266 381 T C 1.851 176.782 174.700 0.386 0.000 1.040 381 T CA 1.221 63.447 62.100 0.210 0.000 1.141 381 T CB -0.032 68.867 68.868 0.050 0.000 0.868 381 T HN 0.290 nan 8.240 nan 0.000 0.444 382 R N 1.053 121.739 120.500 0.310 0.000 2.073 382 R HA -0.130 4.209 4.340 -0.001 0.000 0.234 382 R C 1.723 178.192 176.300 0.281 0.000 1.134 382 R CA 1.842 58.109 56.100 0.278 0.000 0.952 382 R CB -0.343 30.059 30.300 0.171 0.000 0.850 382 R HN 0.258 nan 8.270 nan 0.000 0.433 383 D N 0.658 121.213 120.400 0.258 0.000 2.144 383 D HA -0.129 4.511 4.640 -0.001 0.000 0.199 383 D C 1.253 177.726 176.300 0.287 0.000 0.984 383 D CA 1.244 55.395 54.000 0.251 0.000 0.834 383 D CB 0.085 41.006 40.800 0.202 0.000 0.955 383 D HN 0.325 nan 8.370 nan 0.000 0.465 384 L N -0.152 121.229 121.223 0.263 0.000 3.110 384 L HA 0.226 4.566 4.340 -0.001 0.000 0.266 384 L C 1.238 178.255 176.870 0.245 0.000 1.257 384 L CA -0.463 54.444 54.840 0.112 0.000 1.038 384 L CB 0.095 42.006 42.059 -0.247 0.000 1.395 384 L HN -0.169 nan 8.230 nan 0.000 0.566 385 F N 1.796 121.891 119.950 0.241 0.000 2.043 385 F HA -0.319 4.207 4.527 -0.001 0.000 0.297 385 F C 2.046 177.953 175.800 0.179 0.000 1.118 385 F CA 2.218 60.370 58.000 0.255 0.000 1.202 385 F CB 0.250 39.347 39.000 0.161 0.000 0.965 385 F HN 0.264 nan 8.300 nan 0.000 0.482 386 D N 0.209 120.815 120.400 0.344 0.000 2.144 386 D HA -0.175 4.465 4.640 -0.001 0.000 0.199 386 D C 1.882 178.193 176.300 0.017 0.000 0.984 386 D CA 1.530 55.638 54.000 0.180 0.000 0.834 386 D CB -0.624 40.281 40.800 0.175 0.000 0.955 386 D HN 0.383 nan 8.370 nan 0.000 0.465 387 D N -0.231 120.145 120.400 -0.040 0.000 2.117 387 D HA -0.116 4.524 4.640 -0.001 0.000 0.197 387 D C 1.954 178.098 176.300 -0.260 0.000 0.987 387 D CA 0.498 54.389 54.000 -0.181 0.000 0.829 387 D CB -0.407 40.213 40.800 -0.301 0.000 0.961 387 D HN 0.200 nan 8.370 nan 0.000 0.460 388 F N 0.770 120.601 119.950 -0.198 0.000 2.134 388 F HA -0.145 4.382 4.527 -0.001 0.000 0.299 388 F C 2.504 178.127 175.800 -0.295 0.000 1.097 388 F CA 0.481 58.317 58.000 -0.273 0.000 1.264 388 F CB -0.745 38.092 39.000 -0.272 0.000 1.001 388 F HN -0.164 nan 8.300 nan 0.000 0.479 389 V N -0.428 119.411 119.914 -0.125 0.000 2.343 389 V HA -0.274 3.845 4.120 -0.001 0.000 0.247 389 V C 2.438 178.477 176.094 -0.092 0.000 1.051 389 V CA 1.638 63.851 62.300 -0.146 0.000 1.036 389 V CB -0.602 31.135 31.823 -0.143 0.000 0.654 389 V HN 0.294 nan 8.190 nan 0.000 0.451 390 Q N -0.620 119.131 119.800 -0.082 0.000 2.050 390 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 390 Q C 2.412 178.356 176.000 -0.093 0.000 0.980 390 Q CA 1.749 57.509 55.803 -0.072 0.000 0.840 390 Q CB -0.853 27.846 28.738 -0.066 0.000 0.898 390 Q HN 0.537 nan 8.270 nan 0.000 0.424 391 V N 0.814 120.650 119.914 -0.130 0.000 2.453 391 V HA -0.164 3.955 4.120 -0.001 0.000 0.247 391 V C 2.163 178.171 176.094 -0.143 0.000 1.048 391 V CA 1.042 63.256 62.300 -0.143 0.000 1.049 391 V CB -0.261 31.446 31.823 -0.194 0.000 0.672 391 V HN 0.267 nan 8.190 nan 0.000 0.457 392 L N -0.107 121.018 121.223 -0.164 0.000 2.275 392 L HA -0.052 4.287 4.340 -0.001 0.000 0.215 392 L C 2.257 179.068 176.870 -0.098 0.000 1.119 392 L CA 1.307 56.044 54.840 -0.172 0.000 0.790 392 L CB -0.438 41.496 42.059 -0.208 0.000 0.919 392 L HN 0.259 nan 8.230 nan 0.000 0.443 393 S N -0.633 115.020 115.700 -0.078 0.000 2.607 393 S HA -0.029 4.440 4.470 -0.001 0.000 0.224 393 S C 1.533 176.113 174.600 -0.033 0.000 0.969 393 S CA 0.363 58.536 58.200 -0.045 0.000 0.927 393 S CB -0.030 63.148 63.200 -0.036 0.000 0.772 393 S HN 0.387 nan 8.310 nan 0.000 0.533 394 Q N 0.868 120.642 119.800 -0.043 0.000 2.360 394 Q HA 0.163 4.502 4.340 -0.001 0.000 0.202 394 Q C 0.845 176.840 176.000 -0.008 0.000 0.915 394 Q CA 0.094 55.882 55.803 -0.025 0.000 0.943 394 Q CB -0.221 28.496 28.738 -0.036 0.000 1.064 394 Q HN 0.594 nan 8.270 nan 0.000 0.511 395 V N -2.292 117.616 119.914 -0.010 0.000 3.109 395 V HA 0.339 4.459 4.120 -0.001 0.000 0.317 395 V C 0.720 176.827 176.094 0.022 0.000 1.074 395 V CA -0.654 61.652 62.300 0.009 0.000 1.033 395 V CB 1.277 33.100 31.823 -0.001 0.000 1.111 395 V HN -0.152 nan 8.190 nan 0.000 0.458 396 D N 1.060 121.484 120.400 0.040 0.000 2.240 396 D HA 0.328 4.968 4.640 -0.001 0.000 0.206 396 D C 0.682 177.005 176.300 0.039 0.000 0.963 396 D CA 1.691 55.718 54.000 0.045 0.000 0.863 396 D CB 0.634 41.474 40.800 0.066 0.000 0.973 396 D HN 0.926 nan 8.370 nan 0.000 0.501 397 A N 0.325 123.168 122.820 0.039 0.000 2.486 397 A HA 0.611 4.931 4.320 -0.001 0.000 0.300 397 A C -1.806 175.797 177.584 0.031 0.000 1.048 397 A CA -0.555 51.503 52.037 0.036 0.000 0.696 397 A CB 1.871 20.898 19.000 0.045 0.000 1.278 397 A HN 0.059 nan 8.150 nan 0.000 0.405 398 L N 2.301 123.540 121.223 0.028 0.000 2.476 398 L HA 0.705 5.045 4.340 -0.001 0.000 0.269 398 L C -1.567 175.323 176.870 0.033 0.000 0.965 398 L CA -0.144 54.713 54.840 0.029 0.000 0.845 398 L CB 1.405 43.475 42.059 0.018 0.000 1.259 398 L HN 0.624 nan 8.230 nan 0.000 0.403 399 I N 5.785 126.378 120.570 0.038 0.000 2.339 399 I HA 0.416 4.586 4.170 -0.001 0.000 0.290 399 I C -0.380 175.763 176.117 0.042 0.000 0.994 399 I CA -0.458 60.861 61.300 0.031 0.000 1.191 399 I CB 1.542 39.554 38.000 0.020 0.000 1.343 399 I HN 0.485 nan 8.210 nan 0.000 0.458 400 M N 6.983 126.604 119.600 0.034 0.000 2.300 400 M HA 0.503 4.983 4.480 -0.001 0.000 0.348 400 M C -0.439 175.852 176.300 -0.015 0.000 1.151 400 M CA -0.503 54.818 55.300 0.034 0.000 1.046 400 M CB 1.727 34.351 32.600 0.039 0.000 1.647 400 M HN 0.393 nan 8.290 nan 0.000 0.451 401 L N 1.275 122.460 121.223 -0.064 0.000 2.352 401 L HA 0.407 4.747 4.340 -0.001 0.000 0.269 401 L C 0.306 177.114 176.870 -0.105 0.000 1.034 401 L CA -1.010 53.777 54.840 -0.088 0.000 0.806 401 L CB 1.012 42.999 42.059 -0.120 0.000 1.244 401 L HN 0.526 nan 8.230 nan 0.000 0.447 402 D N 0.537 120.888 120.400 -0.082 0.000 2.382 402 D HA 0.090 4.730 4.640 -0.001 0.000 0.240 402 D C -0.156 176.054 176.300 -0.149 0.000 1.146 402 D CA -0.167 53.784 54.000 -0.082 0.000 0.897 402 D CB 1.294 42.066 40.800 -0.046 0.000 1.197 402 D HN 0.009 nan 8.370 nan 0.000 0.432 403 V N 2.184 121.979 119.914 -0.198 0.000 2.644 403 V HA -0.210 3.909 4.120 -0.001 0.000 0.305 403 V C 0.164 176.060 176.094 -0.329 0.000 1.053 403 V CA 0.515 62.596 62.300 -0.365 0.000 1.186 403 V CB -0.351 31.047 31.823 -0.707 0.000 0.895 403 V HN 0.386 nan 8.190 nan 0.000 0.490 404 Y N 5.119 125.165 120.300 -0.423 0.000 2.504 404 Y HA 0.442 4.991 4.550 -0.001 0.000 0.351 404 Y C 1.102 176.713 175.900 -0.481 0.000 0.988 404 Y CA -0.035 57.843 58.100 -0.370 0.000 1.239 404 Y CB 0.850 39.123 38.460 -0.312 0.000 1.128 404 Y HN 0.756 nan 8.280 nan 0.000 0.525 405 A N 5.612 128.002 122.820 -0.716 0.000 1.969 405 A HA 0.130 4.450 4.320 -0.001 0.000 0.218 405 A C 1.791 179.106 177.584 -0.449 0.000 1.169 405 A CA 0.931 52.666 52.037 -0.503 0.000 0.635 405 A CB -1.074 17.825 19.000 -0.168 0.000 0.810 405 A HN 1.727 nan 8.150 nan 0.000 0.445 406 A N -2.852 119.578 122.820 -0.649 0.000 2.783 406 A HA 0.141 4.460 4.320 -0.001 0.000 0.292 406 A C 1.985 179.474 177.584 -0.159 0.000 1.495 406 A CA 1.580 53.434 52.037 -0.306 0.000 0.787 406 A CB -1.925 16.928 19.000 -0.245 0.000 1.017 406 A HN 2.583 nan 8.150 nan 0.000 0.516 407 G N -2.281 106.418 108.800 -0.169 0.000 2.217 407 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.246 407 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.246 407 G C -0.082 174.801 174.900 -0.029 0.000 0.990 407 G CA 0.781 45.838 45.100 -0.072 0.000 0.627 407 G HN 1.211 nan 8.290 nan 0.000 0.522 408 E N 0.703 120.901 120.200 -0.004 0.000 2.349 408 E HA 0.591 4.941 4.350 -0.001 0.000 0.265 408 E C 0.662 177.314 176.600 0.088 0.000 1.064 408 E CA -0.124 56.315 56.400 0.065 0.000 0.886 408 E CB 1.173 30.954 29.700 0.135 0.000 1.036 408 E HN 0.641 nan 8.360 nan 0.000 0.413 409 A N 3.607 126.429 122.820 0.003 0.000 2.440 409 A HA 0.271 4.591 4.320 -0.001 0.000 0.251 409 A C -2.149 175.214 177.584 -0.368 0.000 1.089 409 A CA -1.184 50.785 52.037 -0.113 0.000 0.779 409 A CB -0.290 18.651 19.000 -0.098 0.000 1.022 409 A HN 0.336 nan 8.150 nan 0.000 0.492 410 P HA 0.188 nan 4.420 nan 0.000 0.267 410 P C -0.802 176.068 177.300 -0.718 0.000 1.201 410 P CA 0.499 62.800 63.100 -1.332 0.000 0.775 410 P CB 0.321 31.598 31.700 -0.705 0.000 0.854 411 I N 1.410 121.595 120.570 -0.642 0.000 2.439 411 I HA 0.157 4.326 4.170 -0.001 0.000 0.285 411 I C -0.315 175.726 176.117 -0.126 0.000 1.021 411 I CA -1.191 59.976 61.300 -0.222 0.000 1.091 411 I CB 1.853 39.823 38.000 -0.051 0.000 1.242 411 I HN -0.016 nan 8.210 nan 0.000 0.439 412 V N 5.861 125.714 119.914 -0.102 0.000 2.617 412 V HA 0.115 4.235 4.120 -0.001 0.000 0.304 412 V C 1.399 177.466 176.094 -0.045 0.000 1.040 412 V CA 1.490 63.751 62.300 -0.065 0.000 1.149 412 V CB 0.410 32.196 31.823 -0.062 0.000 0.914 412 V HN 1.169 nan 8.190 nan 0.000 0.487 413 G N 3.796 112.581 108.800 -0.025 0.000 2.184 413 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.264 413 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.264 413 G C 0.443 175.339 174.900 -0.007 0.000 0.975 413 G CA 0.207 45.274 45.100 -0.056 0.000 0.642 413 G HN 1.758 nan 8.290 nan 0.000 0.536 414 A N 0.309 123.196 122.820 0.113 0.000 2.855 414 A HA 0.619 4.939 4.320 -0.001 0.000 0.301 414 A C 0.243 178.020 177.584 0.322 0.000 1.076 414 A CA 0.666 52.861 52.037 0.263 0.000 1.004 414 A CB 0.206 19.349 19.000 0.240 0.000 1.152 414 A HN 0.632 nan 8.150 nan 0.000 0.531 415 D N -1.931 118.630 120.400 0.268 0.000 2.497 415 D HA 0.465 5.104 4.640 -0.001 0.000 0.243 415 D C 0.862 177.244 176.300 0.136 0.000 1.039 415 D CA -0.234 53.898 54.000 0.220 0.000 1.052 415 D CB 0.393 41.324 40.800 0.219 0.000 1.344 415 D HN -0.168 nan 8.370 nan 0.000 0.553 416 S N -0.762 114.975 115.700 0.061 0.000 2.382 416 S HA -0.181 4.288 4.470 -0.001 0.000 0.228 416 S C 1.583 176.218 174.600 0.057 0.000 1.027 416 S CA 1.260 59.477 58.200 0.028 0.000 0.991 416 S CB -0.339 62.851 63.200 -0.017 0.000 0.823 416 S HN 0.572 nan 8.310 nan 0.000 0.469 417 K N 1.265 121.705 120.400 0.067 0.000 2.063 417 K HA -0.105 4.214 4.320 -0.001 0.000 0.208 417 K C 2.175 178.836 176.600 0.101 0.000 1.048 417 K CA 1.610 57.937 56.287 0.068 0.000 0.928 417 K CB -0.182 32.352 32.500 0.057 0.000 0.713 417 K HN 0.241 nan 8.250 nan 0.000 0.442 418 S N 1.205 116.997 115.700 0.152 0.000 2.355 418 S HA -0.092 4.378 4.470 -0.001 0.000 0.222 418 S C 1.886 176.680 174.600 0.323 0.000 1.031 418 S CA 1.036 59.382 58.200 0.243 0.000 0.993 418 S CB -0.256 63.108 63.200 0.274 0.000 0.859 418 S HN 0.250 nan 8.310 nan 0.000 0.453 419 L N 0.760 122.115 121.223 0.219 0.000 2.013 419 L HA -0.225 4.115 4.340 -0.001 0.000 0.212 419 L C 2.704 179.571 176.870 -0.006 0.000 1.073 419 L CA 1.082 55.887 54.840 -0.058 0.000 0.753 419 L CB -0.664 41.317 42.059 -0.130 0.000 0.890 419 L HN 0.427 nan 8.230 nan 0.000 0.432 420 C N -0.207 119.115 119.300 0.037 0.000 2.413 420 C HA -0.195 4.265 4.460 -0.001 0.000 0.276 420 C C 2.951 177.970 174.990 0.047 0.000 1.236 420 C CA 1.001 60.039 59.018 0.034 0.000 1.735 420 C CB -0.901 26.863 27.740 0.040 0.000 2.031 420 C HN 0.437 nan 8.230 nan 0.000 0.474 421 R N 0.223 120.769 120.500 0.076 0.000 2.081 421 R HA -0.103 4.236 4.340 -0.001 0.000 0.235 421 R C 2.387 178.739 176.300 0.087 0.000 1.131 421 R CA 1.711 57.857 56.100 0.077 0.000 0.960 421 R CB -0.462 29.889 30.300 0.085 0.000 0.856 421 R HN 0.446 nan 8.270 nan 0.000 0.436 422 S N 0.888 116.667 115.700 0.131 0.000 2.368 422 S HA -0.098 4.372 4.470 -0.001 0.000 0.225 422 S C 1.961 176.596 174.600 0.057 0.000 1.030 422 S CA 1.115 59.397 58.200 0.137 0.000 0.999 422 S CB -0.170 63.194 63.200 0.272 0.000 0.844 422 S HN 0.209 nan 8.310 nan 0.000 0.459 423 I N 1.118 121.697 120.570 0.015 0.000 2.142 423 I HA -0.209 3.960 4.170 -0.001 0.000 0.240 423 I C 2.717 178.842 176.117 0.013 0.000 1.078 423 I CA 1.310 62.607 61.300 -0.005 0.000 1.343 423 I CB -0.386 37.600 38.000 -0.023 0.000 1.046 423 I HN 0.226 nan 8.210 nan 0.000 0.405 424 R N 1.257 121.770 120.500 0.022 0.000 2.103 424 R HA -0.245 4.095 4.340 -0.001 0.000 0.242 424 R C 2.062 178.377 176.300 0.026 0.000 1.142 424 R CA 2.296 58.410 56.100 0.023 0.000 0.960 424 R CB -0.288 30.028 30.300 0.027 0.000 0.858 424 R HN 0.284 nan 8.270 nan 0.000 0.439 425 N N 0.224 118.945 118.700 0.034 0.000 2.223 425 N HA -0.166 4.573 4.740 -0.001 0.000 0.185 425 N C 1.478 177.005 175.510 0.029 0.000 1.016 425 N CA 0.905 53.976 53.050 0.035 0.000 0.863 425 N CB -0.164 38.352 38.487 0.047 0.000 0.983 425 N HN 0.165 nan 8.380 nan 0.000 0.429 426 L N -0.248 120.992 121.223 0.027 0.000 2.131 426 L HA 0.056 4.396 4.340 -0.001 0.000 0.210 426 L C 1.334 178.213 176.870 0.014 0.000 1.092 426 L CA 1.762 56.613 54.840 0.019 0.000 0.759 426 L CB -0.745 41.321 42.059 0.011 0.000 0.903 426 L HN 0.355 nan 8.230 nan 0.000 0.435 427 G N -1.416 107.392 108.800 0.014 0.000 2.159 427 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.256 427 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.256 427 G C 1.233 176.138 174.900 0.010 0.000 0.977 427 G CA 0.709 45.816 45.100 0.012 0.000 0.652 427 G HN 0.447 nan 8.290 nan 0.000 0.531 428 K N -1.016 119.388 120.400 0.006 0.000 2.137 428 K HA 0.427 4.747 4.320 -0.001 0.000 0.202 428 K C 0.849 177.453 176.600 0.007 0.000 1.052 428 K CA 1.172 57.462 56.287 0.005 0.000 0.961 428 K CB 0.663 33.163 32.500 -0.000 0.000 0.741 428 K HN 0.465 nan 8.250 nan 0.000 0.452 429 V N 1.145 121.062 119.914 0.005 0.000 3.049 429 V HA 0.209 4.329 4.120 -0.001 0.000 0.309 429 V C -2.073 174.027 176.094 0.010 0.000 1.148 429 V CA -0.937 61.368 62.300 0.009 0.000 0.990 429 V CB 2.353 34.179 31.823 0.006 0.000 1.039 429 V HN 0.034 nan 8.190 nan 0.000 0.430 430 D N 5.455 125.864 120.400 0.014 0.000 2.472 430 D HA 0.569 5.209 4.640 -0.001 0.000 0.234 430 D C -2.513 173.798 176.300 0.018 0.000 1.088 430 D CA -1.565 52.445 54.000 0.017 0.000 0.882 430 D CB 1.668 42.479 40.800 0.018 0.000 1.037 430 D HN 0.388 nan 8.370 nan 0.000 0.520 431 P HA 0.386 nan 4.420 nan 0.000 0.276 431 P C -0.339 176.974 177.300 0.022 0.000 1.252 431 P CA -0.467 62.646 63.100 0.020 0.000 0.802 431 P CB 1.140 32.852 31.700 0.019 0.000 1.035 432 I N 1.222 121.806 120.570 0.023 0.000 2.389 432 I HA 0.232 4.402 4.170 -0.001 0.000 0.288 432 I C -0.145 175.982 176.117 0.018 0.000 0.999 432 I CA -1.130 60.182 61.300 0.020 0.000 1.129 432 I CB 1.533 39.546 38.000 0.021 0.000 1.288 432 I HN 0.159 nan 8.210 nan 0.000 0.444 433 L N 8.617 129.849 121.223 0.016 0.000 2.331 433 L HA 0.412 4.752 4.340 -0.001 0.000 0.278 433 L C -0.556 176.317 176.870 0.004 0.000 1.106 433 L CA 0.079 54.925 54.840 0.011 0.000 0.824 433 L CB 1.206 43.273 42.059 0.013 0.000 1.142 433 L HN 0.336 nan 8.230 nan 0.000 0.443 434 V N 5.519 125.430 119.914 -0.005 0.000 2.325 434 V HA 0.282 4.401 4.120 -0.001 0.000 0.280 434 V C 0.774 176.856 176.094 -0.019 0.000 1.016 434 V CA -0.130 62.163 62.300 -0.011 0.000 0.818 434 V CB 0.780 32.593 31.823 -0.016 0.000 1.019 434 V HN 0.971 nan 8.190 nan 0.000 0.434 435 S N 2.018 117.710 115.700 -0.014 0.000 2.478 435 S HA -0.006 4.464 4.470 -0.001 0.000 0.222 435 S C 0.714 175.302 174.600 -0.019 0.000 1.008 435 S CA 0.351 58.542 58.200 -0.016 0.000 0.928 435 S CB 0.012 63.207 63.200 -0.009 0.000 0.781 435 S HN 0.872 nan 8.310 nan 0.000 0.518 436 D N 1.722 122.112 120.400 -0.018 0.000 2.473 436 D HA 0.224 4.863 4.640 -0.001 0.000 0.226 436 D C 1.160 177.443 176.300 -0.027 0.000 1.089 436 D CA -0.212 53.777 54.000 -0.020 0.000 0.883 436 D CB 0.986 41.777 40.800 -0.014 0.000 1.029 436 D HN 0.095 nan 8.370 nan 0.000 0.517 437 T N -0.057 114.475 114.554 -0.036 0.000 2.977 437 T HA -0.195 4.155 4.350 -0.001 0.000 0.271 437 T C 1.796 176.464 174.700 -0.054 0.000 1.105 437 T CA 1.180 63.250 62.100 -0.051 0.000 1.116 437 T CB -0.345 68.486 68.868 -0.061 0.000 0.878 437 T HN 0.290 nan 8.240 nan 0.000 0.509 438 S N 1.547 117.223 115.700 -0.040 0.000 2.447 438 S HA -0.113 4.357 4.470 -0.001 0.000 0.233 438 S C 1.975 176.557 174.600 -0.030 0.000 1.006 438 S CA 0.454 58.632 58.200 -0.038 0.000 0.957 438 S CB -0.545 62.640 63.200 -0.025 0.000 0.773 438 S HN 0.656 nan 8.310 nan 0.000 0.507 439 Q N 0.089 119.875 119.800 -0.023 0.000 2.403 439 Q HA 0.227 4.567 4.340 -0.001 0.000 0.203 439 Q C 1.787 177.780 176.000 -0.011 0.000 0.932 439 Q CA 0.138 55.935 55.803 -0.010 0.000 0.945 439 Q CB -0.223 28.512 28.738 -0.004 0.000 1.045 439 Q HN 0.509 nan 8.270 nan 0.000 0.511 440 L N 0.679 121.880 121.223 -0.037 0.000 1.990 440 L HA -0.125 4.215 4.340 -0.001 0.000 0.213 440 L C 2.066 178.921 176.870 -0.024 0.000 1.072 440 L CA 2.454 57.265 54.840 -0.048 0.000 0.755 440 L CB -1.036 40.964 42.059 -0.098 0.000 0.889 440 L HN 0.166 nan 8.230 nan 0.000 0.432 441 G N -1.189 107.589 108.800 -0.037 0.000 2.446 441 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.217 441 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.217 441 G C 1.329 176.345 174.900 0.193 0.000 1.168 441 G CA 0.880 46.029 45.100 0.080 0.000 0.771 441 G HN 0.471 nan 8.290 nan 0.000 0.551 442 D N 0.231 120.696 120.400 0.109 0.000 2.123 442 D HA -0.101 4.539 4.640 -0.001 0.000 0.196 442 D C 2.787 179.134 176.300 0.078 0.000 0.992 442 D CA 0.960 55.014 54.000 0.090 0.000 0.833 442 D CB -0.330 40.503 40.800 0.055 0.000 0.954 442 D HN 0.219 nan 8.370 nan 0.000 0.455 443 V N 1.105 121.057 119.914 0.063 0.000 2.407 443 V HA -0.199 3.921 4.120 -0.001 0.000 0.248 443 V C 2.656 178.794 176.094 0.074 0.000 1.055 443 V CA 1.027 63.359 62.300 0.053 0.000 1.049 443 V CB -0.391 31.452 31.823 0.034 0.000 0.662 443 V HN 0.164 nan 8.190 nan 0.000 0.455 444 L N -0.431 120.860 121.223 0.114 0.000 2.093 444 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 444 L C 2.412 179.362 176.870 0.133 0.000 1.085 444 L CA 1.408 56.340 54.840 0.153 0.000 0.755 444 L CB -0.619 41.608 42.059 0.279 0.000 0.904 444 L HN 0.319 nan 8.230 nan 0.000 0.435 445 D N -0.129 120.353 120.400 0.136 0.000 2.158 445 D HA -0.226 4.414 4.640 -0.001 0.000 0.197 445 D C 2.225 178.543 176.300 0.030 0.000 0.995 445 D CA 1.457 55.491 54.000 0.056 0.000 0.846 445 D CB -0.056 40.775 40.800 0.052 0.000 0.941 445 D HN 0.565 nan 8.370 nan 0.000 0.456 446 Q N 0.290 120.115 119.800 0.041 0.000 2.245 446 Q HA -0.047 4.292 4.340 -0.001 0.000 0.201 446 Q C 2.439 178.456 176.000 0.029 0.000 0.955 446 Q CA 0.770 56.590 55.803 0.029 0.000 0.870 446 Q CB -0.335 28.420 28.738 0.028 0.000 0.945 446 Q HN 0.458 nan 8.270 nan 0.000 0.461 447 I N -2.155 118.439 120.570 0.040 0.000 3.228 447 I HA 0.207 4.377 4.170 -0.001 0.000 0.279 447 I C 1.040 177.184 176.117 0.044 0.000 1.221 447 I CA -0.369 60.955 61.300 0.041 0.000 1.458 447 I CB 0.117 38.145 38.000 0.045 0.000 1.105 447 I HN -0.085 nan 8.210 nan 0.000 0.445 448 I N 2.133 122.730 120.570 0.046 0.000 3.003 448 I HA -0.072 4.098 4.170 -0.001 0.000 0.294 448 I C 0.153 176.290 176.117 0.034 0.000 1.237 448 I CA 1.092 62.419 61.300 0.044 0.000 1.417 448 I CB 0.406 38.419 38.000 0.021 0.000 1.340 448 I HN 0.432 nan 8.210 nan 0.000 0.594 449 Q N 3.178 123.008 119.800 0.049 0.000 2.451 449 Q HA 0.260 4.600 4.340 -0.001 0.000 0.281 449 Q C -1.244 174.790 176.000 0.056 0.000 1.099 449 Q CA -0.989 54.841 55.803 0.045 0.000 0.806 449 Q CB 1.920 30.690 28.738 0.052 0.000 1.419 449 Q HN 0.486 nan 8.270 nan 0.000 0.427 450 D N -0.303 120.121 120.400 0.041 0.000 2.487 450 D HA 0.245 4.884 4.640 -0.001 0.000 0.243 450 D C 0.782 177.129 176.300 0.077 0.000 1.154 450 D CA 2.216 56.243 54.000 0.046 0.000 0.876 450 D CB 0.293 41.105 40.800 0.020 0.000 1.161 450 D HN 0.702 nan 8.370 nan 0.000 0.478 451 G N 2.941 111.815 108.800 0.122 0.000 2.141 451 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.242 451 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.242 451 G C -0.077 175.060 174.900 0.395 0.000 0.982 451 G CA -0.053 45.155 45.100 0.181 0.000 0.662 451 G HN 0.605 nan 8.290 nan 0.000 0.527 452 D N -0.116 120.477 120.400 0.320 0.000 2.382 452 D HA 0.455 5.095 4.640 -0.001 0.000 0.245 452 D C 0.563 177.075 176.300 0.352 0.000 1.120 452 D CA -0.037 54.165 54.000 0.336 0.000 0.890 452 D CB 1.445 42.359 40.800 0.191 0.000 1.201 452 D HN 0.340 nan 8.370 nan 0.000 0.433 453 L N 3.179 124.512 121.223 0.184 0.000 2.287 453 L HA 0.447 4.787 4.340 -0.001 0.000 0.287 453 L C -0.821 175.969 176.870 -0.133 0.000 1.022 453 L CA -0.573 54.109 54.840 -0.263 0.000 0.814 453 L CB 0.579 41.969 42.059 -1.115 0.000 1.217 453 L HN 0.286 nan 8.230 nan 0.000 0.420 454 I N 6.319 126.837 120.570 -0.088 0.000 2.330 454 I HA 0.258 4.428 4.170 -0.001 0.000 0.289 454 I C -0.524 175.516 176.117 -0.129 0.000 1.001 454 I CA -0.422 60.849 61.300 -0.049 0.000 1.193 454 I CB 1.399 39.424 38.000 0.042 0.000 1.345 454 I HN 0.486 nan 8.210 nan 0.000 0.461 455 L N 6.410 127.555 121.223 -0.130 0.000 2.260 455 L HA 0.455 4.795 4.340 -0.001 0.000 0.289 455 L C 0.577 177.390 176.870 -0.095 0.000 1.057 455 L CA -0.376 54.367 54.840 -0.161 0.000 0.811 455 L CB 1.143 43.118 42.059 -0.139 0.000 1.184 455 L HN 0.667 nan 8.230 nan 0.000 0.429 456 A N 4.151 126.903 122.820 -0.113 0.000 2.343 456 A HA 0.438 4.757 4.320 -0.001 0.000 0.305 456 A C -0.281 177.269 177.584 -0.056 0.000 1.308 456 A CA -0.288 51.697 52.037 -0.087 0.000 0.949 456 A CB 0.449 19.379 19.000 -0.117 0.000 1.148 456 A HN 0.656 nan 8.150 nan 0.000 0.545 457 Q N 1.844 121.649 119.800 0.007 0.000 2.322 457 Q HA 0.640 4.979 4.340 -0.001 0.000 0.265 457 Q C -0.068 175.959 176.000 0.045 0.000 0.985 457 Q CA 0.714 56.573 55.803 0.093 0.000 0.849 457 Q CB 1.634 30.526 28.738 0.256 0.000 1.274 457 Q HN 1.599 nan 8.270 nan 0.000 0.449 458 G N 1.205 109.998 108.800 -0.012 0.000 2.359 458 G HA2 0.365 4.325 3.960 -0.001 0.000 0.314 458 G HA3 0.365 4.325 3.960 -0.001 0.000 0.314 458 G C -0.754 173.963 174.900 -0.306 0.000 1.364 458 G CA -0.177 44.833 45.100 -0.149 0.000 0.978 458 G HN 0.729 nan 8.290 nan 0.000 0.615 459 A N -0.768 121.766 122.820 -0.477 0.000 2.303 459 A HA 0.717 5.037 4.320 -0.001 0.000 0.217 459 A C 1.512 178.801 177.584 -0.492 0.000 1.205 459 A CA 1.746 53.269 52.037 -0.857 0.000 0.875 459 A CB -0.201 18.000 19.000 -1.332 0.000 0.910 459 A HN 1.981 nan 8.150 nan 0.000 0.501 460 G N -0.377 108.156 108.800 -0.444 0.000 2.829 460 G HA2 0.311 4.271 3.960 -0.001 0.000 0.173 460 G HA3 0.311 4.271 3.960 -0.001 0.000 0.173 460 G C 1.244 175.732 174.900 -0.688 0.000 1.476 460 G CA 0.690 45.240 45.100 -0.916 0.000 1.072 460 G HN 0.598 nan 8.290 nan 0.000 0.577 461 S N -0.818 114.436 115.700 -0.743 0.000 2.547 461 S HA -0.094 4.375 4.470 -0.001 0.000 0.235 461 S C 2.205 176.695 174.600 -0.183 0.000 0.980 461 S CA 0.964 59.002 58.200 -0.270 0.000 0.941 461 S CB -0.067 63.113 63.200 -0.033 0.000 0.763 461 S HN 0.524 nan 8.310 nan 0.000 0.532 462 V N 3.012 122.795 119.914 -0.218 0.000 2.370 462 V HA -0.235 3.884 4.120 -0.001 0.000 0.252 462 V C 2.709 178.721 176.094 -0.138 0.000 1.068 462 V CA 2.547 64.745 62.300 -0.170 0.000 1.061 462 V CB -1.025 30.681 31.823 -0.195 0.000 0.656 462 V HN 0.846 nan 8.190 nan 0.000 0.455 463 S N -0.865 114.763 115.700 -0.121 0.000 2.428 463 S HA -0.209 4.261 4.470 -0.001 0.000 0.230 463 S C 2.080 176.627 174.600 -0.088 0.000 1.014 463 S CA 1.431 59.578 58.200 -0.089 0.000 0.957 463 S CB -0.507 62.664 63.200 -0.048 0.000 0.784 463 S HN 0.744 nan 8.310 nan 0.000 0.499 464 K N 1.279 121.626 120.400 -0.087 0.000 2.057 464 K HA -0.002 4.318 4.320 -0.001 0.000 0.206 464 K C 2.046 178.588 176.600 -0.096 0.000 1.050 464 K CA 1.464 57.705 56.287 -0.077 0.000 0.935 464 K CB -0.351 32.112 32.500 -0.061 0.000 0.715 464 K HN 0.484 nan 8.250 nan 0.000 0.439 465 I N 1.485 121.989 120.570 -0.110 0.000 2.179 465 I HA -0.275 3.895 4.170 -0.001 0.000 0.242 465 I C 2.471 178.483 176.117 -0.175 0.000 1.088 465 I CA 1.504 62.726 61.300 -0.131 0.000 1.357 465 I CB -0.332 37.593 38.000 -0.125 0.000 1.051 465 I HN 0.288 nan 8.210 nan 0.000 0.409 466 S N 0.640 116.235 115.700 -0.175 0.000 2.402 466 S HA -0.167 4.302 4.470 -0.001 0.000 0.229 466 S C 2.171 176.641 174.600 -0.216 0.000 1.021 466 S CA 0.571 58.640 58.200 -0.219 0.000 0.974 466 S CB -0.426 62.669 63.200 -0.174 0.000 0.800 466 S HN 0.332 nan 8.310 nan 0.000 0.484 467 R N 1.389 121.800 120.500 -0.149 0.000 2.080 467 R HA -0.067 4.272 4.340 -0.001 0.000 0.236 467 R C 2.597 178.812 176.300 -0.142 0.000 1.137 467 R CA 1.750 57.782 56.100 -0.114 0.000 0.943 467 R CB -1.364 28.888 30.300 -0.079 0.000 0.846 467 R HN 0.575 nan 8.270 nan 0.000 0.431 468 G N 1.336 110.044 108.800 -0.152 0.000 2.446 468 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.217 468 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.217 468 G C 1.421 176.172 174.900 -0.247 0.000 1.168 468 G CA 0.690 45.696 45.100 -0.157 0.000 0.771 468 G HN 0.307 nan 8.290 nan 0.000 0.551 469 L N 1.450 122.452 121.223 -0.369 0.000 2.043 469 L HA -0.029 4.311 4.340 -0.001 0.000 0.212 469 L C 3.072 179.471 176.870 -0.786 0.000 1.075 469 L CA 2.337 56.781 54.840 -0.659 0.000 0.752 469 L CB -0.713 40.871 42.059 -0.792 0.000 0.891 469 L HN 0.262 nan 8.230 nan 0.000 0.432 470 A N -0.952 121.531 122.820 -0.561 0.000 1.858 470 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 470 A C 2.160 179.669 177.584 -0.124 0.000 1.190 470 A CA 1.741 53.480 52.037 -0.497 0.000 0.617 470 A CB -0.695 18.236 19.000 -0.114 0.000 0.827 470 A HN 0.588 nan 8.150 nan 0.000 0.443 471 E N 0.120 120.282 120.200 -0.064 0.000 2.058 471 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 471 E C 2.365 178.991 176.600 0.044 0.000 0.997 471 E CA 1.763 58.180 56.400 0.029 0.000 0.801 471 E CB -0.241 29.457 29.700 -0.003 0.000 0.746 471 E HN 0.775 nan 8.360 nan 0.000 0.450 472 S N -0.105 115.572 115.700 -0.039 0.000 2.419 472 S HA -0.155 4.315 4.470 -0.001 0.000 0.233 472 S C 1.434 176.149 174.600 0.192 0.000 1.016 472 S CA 0.640 58.855 58.200 0.024 0.000 0.974 472 S CB -0.263 62.906 63.200 -0.052 0.000 0.786 472 S HN 0.339 nan 8.310 nan 0.000 0.492 473 W N 2.003 123.263 121.300 -0.067 0.000 3.003 473 W HA 0.519 5.179 4.660 -0.001 0.000 0.257 473 W C 1.265 177.909 176.519 0.208 0.000 1.308 473 W CA -1.206 56.130 57.345 -0.015 0.000 1.529 473 W CB -0.447 28.855 29.460 -0.264 0.000 1.115 473 W HN 0.281 nan 8.180 nan 0.000 0.659 474 K N 0.000 120.656 120.400 0.427 0.000 2.780 474 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 474 K CA 0.000 56.517 56.287 0.383 0.000 0.838 474 K CB 0.000 32.699 32.500 0.332 0.000 1.064 474 K HN 0.000 nan 8.250 nan 0.000 0.543