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 1e79_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.808 174.700 0.181 0.000 1.109 9 T CA 0.000 62.163 62.100 0.105 0.000 1.349 9 T CB 0.000 68.934 68.868 0.110 0.000 0.612 10 T N -1.123 113.506 114.554 0.125 0.000 2.929 10 T HA 0.832 5.182 4.350 -0.000 0.000 0.284 10 T C 0.533 175.159 174.700 -0.123 0.000 1.014 10 T CA -0.096 62.038 62.100 0.057 0.000 1.051 10 T CB 1.261 70.118 68.868 -0.018 0.000 1.028 10 T HN 1.417 nan 8.240 nan 0.000 0.485 11 G N 0.932 109.417 108.800 -0.525 0.000 2.816 11 G HA2 0.736 4.696 3.960 -0.000 0.000 0.288 11 G HA3 0.736 4.696 3.960 -0.000 0.000 0.288 11 G C -1.206 173.346 174.900 -0.579 0.000 1.334 11 G CA -1.227 43.187 45.100 -1.145 0.000 0.978 11 G HN 0.810 nan 8.290 nan 0.000 0.493 12 R N -0.658 119.552 120.500 -0.483 0.000 2.725 12 R HA 0.375 4.715 4.340 -0.000 0.000 0.277 12 R C -0.745 175.436 176.300 -0.197 0.000 0.987 12 R CA -0.884 55.061 56.100 -0.257 0.000 0.901 12 R CB 2.564 32.759 30.300 -0.175 0.000 1.207 12 R HN 0.399 nan 8.270 nan 0.000 0.463 13 I N 2.781 123.274 120.570 -0.127 0.000 2.517 13 I HA -0.053 4.117 4.170 -0.000 0.000 0.285 13 I C 1.606 177.683 176.117 -0.067 0.000 1.106 13 I CA 0.067 61.318 61.300 -0.082 0.000 1.402 13 I CB 0.978 38.945 38.000 -0.055 0.000 1.399 13 I HN 0.523 nan 8.210 nan 0.000 0.535 14 V N 3.051 122.933 119.914 -0.054 0.000 3.621 14 V HA 0.582 4.702 4.120 -0.000 0.000 0.263 14 V C 0.598 176.676 176.094 -0.026 0.000 1.272 14 V CA 0.326 62.602 62.300 -0.040 0.000 1.080 14 V CB -0.035 31.765 31.823 -0.037 0.000 0.816 14 V HN 0.744 nan 8.190 nan 0.000 0.451 15 A N -0.440 122.367 122.820 -0.022 0.000 2.594 15 A HA 0.794 5.114 4.320 -0.000 0.000 0.296 15 A C -1.358 176.220 177.584 -0.011 0.000 1.061 15 A CA -0.356 51.673 52.037 -0.014 0.000 0.689 15 A CB 2.065 21.060 19.000 -0.009 0.000 1.280 15 A HN 0.522 nan 8.150 nan 0.000 0.406 16 V N 2.891 122.799 119.914 -0.009 0.000 2.668 16 V HA 0.568 4.688 4.120 -0.000 0.000 0.304 16 V C -1.176 174.915 176.094 -0.006 0.000 1.071 16 V CA -0.369 61.927 62.300 -0.007 0.000 0.894 16 V CB 1.703 33.520 31.823 -0.009 0.000 1.008 16 V HN 0.722 nan 8.190 nan 0.000 0.425 17 I N 3.951 124.519 120.570 -0.004 0.000 2.540 17 I HA 0.599 4.769 4.170 -0.000 0.000 0.280 17 I C 0.833 176.947 176.117 -0.005 0.000 1.083 17 I CA 0.293 61.591 61.300 -0.005 0.000 1.080 17 I CB 0.709 38.707 38.000 -0.004 0.000 1.205 17 I HN 0.855 nan 8.210 nan 0.000 0.459 18 G N 5.432 114.229 108.800 -0.005 0.000 2.611 18 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.301 18 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.301 18 G C 0.887 175.784 174.900 -0.005 0.000 1.233 18 G CA 0.965 46.062 45.100 -0.006 0.000 0.993 18 G HN 0.887 nan 8.290 nan 0.000 0.553 19 A N -0.757 122.060 122.820 -0.006 0.000 2.206 19 A HA 0.526 4.846 4.320 -0.000 0.000 0.211 19 A C 1.190 178.774 177.584 -0.000 0.000 1.158 19 A CA 1.726 53.761 52.037 -0.004 0.000 0.761 19 A CB -0.075 18.920 19.000 -0.008 0.000 0.801 19 A HN 1.402 nan 8.150 nan 0.000 0.473 20 V N 1.027 120.940 119.914 -0.001 0.000 2.432 20 V HA 0.392 4.512 4.120 -0.000 0.000 0.275 20 V C -0.449 175.648 176.094 0.004 0.000 1.043 20 V CA -0.240 62.062 62.300 0.003 0.000 0.925 20 V CB 1.227 33.050 31.823 0.001 0.000 0.985 20 V HN 0.110 nan 8.190 nan 0.000 0.466 21 V N 3.947 123.867 119.914 0.010 0.000 2.638 21 V HA 0.495 4.615 4.120 -0.000 0.000 0.306 21 V C -0.939 175.164 176.094 0.015 0.000 1.052 21 V CA -0.848 61.457 62.300 0.008 0.000 0.885 21 V CB 2.241 34.069 31.823 0.008 0.000 0.999 21 V HN 0.785 nan 8.190 nan 0.000 0.424 22 D N 2.702 123.106 120.400 0.007 0.000 2.168 22 D HA 0.672 5.312 4.640 -0.000 0.000 0.246 22 D C -0.688 175.611 176.300 -0.002 0.000 1.050 22 D CA -0.086 53.922 54.000 0.012 0.000 0.857 22 D CB 2.308 43.111 40.800 0.006 0.000 1.169 22 D HN 0.284 nan 8.370 nan 0.000 0.453 23 V N 1.987 121.911 119.914 0.017 0.000 2.638 23 V HA 0.302 4.422 4.120 -0.000 0.000 0.306 23 V C -0.222 175.848 176.094 -0.040 0.000 1.052 23 V CA -0.953 61.321 62.300 -0.042 0.000 0.885 23 V CB 1.931 33.749 31.823 -0.008 0.000 0.999 23 V HN 0.415 nan 8.190 nan 0.000 0.424 24 Q N 3.183 122.889 119.800 -0.157 0.000 2.241 24 Q HA 0.620 4.960 4.340 -0.000 0.000 0.254 24 Q C -1.905 173.932 176.000 -0.271 0.000 0.917 24 Q CA -0.397 55.342 55.803 -0.106 0.000 0.919 24 Q CB 1.272 29.961 28.738 -0.082 0.000 1.237 24 Q HN 0.623 nan 8.270 nan 0.000 0.434 25 F N 3.121 123.037 119.950 -0.057 0.000 2.445 25 F HA 0.232 4.759 4.527 -0.000 0.000 0.348 25 F C 0.512 176.285 175.800 -0.044 0.000 1.125 25 F CA -0.726 57.244 58.000 -0.051 0.000 0.983 25 F CB 1.681 40.643 39.000 -0.063 0.000 1.198 25 F HN 0.683 nan 8.300 nan 0.000 0.436 26 D N 1.275 121.725 120.400 0.083 0.000 2.178 26 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 26 D C 0.324 176.664 176.300 0.067 0.000 0.974 26 D CA 1.448 55.479 54.000 0.050 0.000 0.841 26 D CB 0.448 41.256 40.800 0.014 0.000 0.953 26 D HN 0.441 nan 8.370 nan 0.000 0.478 27 E N -0.562 119.700 120.200 0.103 0.000 2.256 27 E HA 0.455 4.805 4.350 -0.000 0.000 0.268 27 E C -0.111 176.538 176.600 0.083 0.000 0.877 27 E CA -0.605 55.840 56.400 0.075 0.000 0.757 27 E CB 2.122 31.855 29.700 0.055 0.000 1.183 27 E HN 0.072 nan 8.360 nan 0.000 0.418 28 G N 2.443 111.255 108.800 0.020 0.000 2.515 28 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.208 28 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.208 28 G C -0.584 174.223 174.900 -0.154 0.000 0.737 28 G CA -0.336 44.740 45.100 -0.041 0.000 0.987 28 G HN 0.258 nan 8.290 nan 0.000 0.307 29 L N 5.663 126.779 121.223 -0.179 0.000 2.331 29 L HA 0.584 4.924 4.340 -0.000 0.000 0.278 29 L C -1.264 175.408 176.870 -0.329 0.000 1.106 29 L CA -1.789 52.840 54.840 -0.351 0.000 0.824 29 L CB 0.909 42.789 42.059 -0.298 0.000 1.142 29 L HN 0.436 nan 8.230 nan 0.000 0.443 30 P HA 0.308 nan 4.420 nan 0.000 0.281 30 P C -2.718 174.579 177.300 -0.004 0.000 1.252 30 P CA -1.612 61.318 63.100 -0.284 0.000 0.778 30 P CB 0.339 31.796 31.700 -0.406 0.000 0.895 31 P HA 0.049 nan 4.420 nan 0.000 0.271 31 P C 0.406 177.711 177.300 0.009 0.000 1.233 31 P CA -0.110 63.013 63.100 0.039 0.000 0.789 31 P CB 0.366 32.041 31.700 -0.043 0.000 0.951 32 I N 1.878 122.395 120.570 -0.089 0.000 2.815 32 I HA -0.098 4.072 4.170 -0.000 0.000 0.291 32 I C 1.952 178.002 176.117 -0.111 0.000 1.209 32 I CA 0.546 61.792 61.300 -0.090 0.000 1.431 32 I CB -1.032 36.885 38.000 -0.140 0.000 1.351 32 I HN 0.559 nan 8.210 nan 0.000 0.585 33 L N 1.180 122.324 121.223 -0.132 0.000 4.800 33 L HA -0.272 4.068 4.340 -0.000 0.000 0.400 33 L C 0.433 177.228 176.870 -0.126 0.000 0.857 33 L CA 0.438 55.142 54.840 -0.227 0.000 1.908 33 L CB -1.510 40.323 42.059 -0.376 0.000 1.598 33 L HN 0.630 nan 8.230 nan 0.000 0.593 34 N N 1.020 119.680 118.700 -0.066 0.000 2.479 34 N HA 0.486 5.226 4.740 -0.000 0.000 0.257 34 N C 0.234 175.740 175.510 -0.006 0.000 1.232 34 N CA 0.907 53.936 53.050 -0.035 0.000 0.920 34 N CB 0.815 39.275 38.487 -0.044 0.000 1.105 34 N HN 0.306 nan 8.380 nan 0.000 0.444 35 A N 2.256 125.082 122.820 0.009 0.000 2.274 35 A HA 0.577 4.897 4.320 -0.000 0.000 0.309 35 A C -0.480 177.122 177.584 0.029 0.000 1.226 35 A CA -0.555 51.498 52.037 0.027 0.000 0.853 35 A CB 0.033 19.052 19.000 0.033 0.000 1.146 35 A HN 0.609 nan 8.150 nan 0.000 0.518 36 L N 1.899 123.150 121.223 0.047 0.000 2.334 36 L HA 0.534 4.874 4.340 -0.000 0.000 0.273 36 L C -0.220 176.682 176.870 0.053 0.000 1.013 36 L CA -0.809 54.074 54.840 0.071 0.000 0.816 36 L CB 1.637 43.771 42.059 0.125 0.000 1.278 36 L HN 0.568 nan 8.230 nan 0.000 0.431 37 E N 2.393 122.622 120.200 0.050 0.000 2.113 37 E HA 0.306 4.656 4.350 -0.000 0.000 0.273 37 E C -0.801 175.814 176.600 0.025 0.000 0.924 37 E CA -0.587 55.831 56.400 0.030 0.000 0.764 37 E CB 2.355 32.067 29.700 0.019 0.000 1.104 37 E HN 0.212 nan 8.360 nan 0.000 0.406 38 V N 3.997 123.921 119.914 0.017 0.000 2.555 38 V HA -0.011 4.109 4.120 -0.000 0.000 0.286 38 V C 0.710 176.803 176.094 -0.001 0.000 1.044 38 V CA -0.379 61.924 62.300 0.005 0.000 1.026 38 V CB 0.732 32.556 31.823 0.002 0.000 0.981 38 V HN 0.483 nan 8.190 nan 0.000 0.480 39 Q N 2.464 122.258 119.800 -0.009 0.000 2.260 39 Q HA 0.444 4.784 4.340 -0.000 0.000 0.238 39 Q C 1.184 177.177 176.000 -0.012 0.000 0.948 39 Q CA 0.369 56.166 55.803 -0.010 0.000 0.895 39 Q CB 1.077 29.807 28.738 -0.014 0.000 1.218 39 Q HN 1.161 nan 8.270 nan 0.000 0.470 40 G N 1.342 110.136 108.800 -0.010 0.000 2.147 40 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 40 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 40 G C -0.156 174.740 174.900 -0.008 0.000 1.005 40 G CA -0.095 44.999 45.100 -0.010 0.000 0.713 40 G HN 0.314 nan 8.290 nan 0.000 0.515 41 R N -0.179 120.317 120.500 -0.006 0.000 2.532 41 R HA 0.468 4.808 4.340 -0.000 0.000 0.295 41 R C 1.105 177.403 176.300 -0.003 0.000 0.968 41 R CA -0.580 55.517 56.100 -0.004 0.000 0.916 41 R CB 1.031 31.330 30.300 -0.002 0.000 1.124 41 R HN 0.422 nan 8.270 nan 0.000 0.463 42 E N 0.454 120.653 120.200 -0.002 0.000 2.152 42 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 42 E C 0.271 176.870 176.600 -0.000 0.000 0.983 42 E CA 1.229 57.628 56.400 -0.002 0.000 0.818 42 E CB 0.252 29.951 29.700 -0.002 0.000 0.758 42 E HN 0.667 nan 8.360 nan 0.000 0.467 43 T N -1.545 113.009 114.554 0.000 0.000 2.893 43 T HA 0.415 4.765 4.350 -0.000 0.000 0.291 43 T C -0.319 174.383 174.700 0.003 0.000 1.028 43 T CA -1.113 60.988 62.100 0.002 0.000 0.995 43 T CB 2.144 71.013 68.868 0.003 0.000 1.051 43 T HN -0.079 nan 8.240 nan 0.000 0.470 44 R N 1.186 121.688 120.500 0.004 0.000 2.501 44 R HA 0.210 4.550 4.340 -0.000 0.000 0.319 44 R C -0.734 175.571 176.300 0.008 0.000 0.913 44 R CA -0.244 55.860 56.100 0.006 0.000 1.104 44 R CB -0.478 29.826 30.300 0.007 0.000 0.901 44 R HN 0.577 nan 8.270 nan 0.000 0.407 45 L N 6.379 127.607 121.223 0.009 0.000 2.318 45 L HA 0.377 4.717 4.340 -0.000 0.000 0.277 45 L C -1.256 175.624 176.870 0.016 0.000 1.008 45 L CA -0.526 54.321 54.840 0.011 0.000 0.846 45 L CB 1.707 43.770 42.059 0.008 0.000 1.220 45 L HN 0.375 nan 8.230 nan 0.000 0.423 46 V N 6.083 126.009 119.914 0.020 0.000 2.539 46 V HA 0.472 4.592 4.120 -0.000 0.000 0.292 46 V C 0.089 176.201 176.094 0.031 0.000 1.045 46 V CA -0.566 61.751 62.300 0.027 0.000 0.945 46 V CB 1.664 33.505 31.823 0.030 0.000 0.993 46 V HN 0.590 nan 8.190 nan 0.000 0.464 47 L N 3.903 125.149 121.223 0.038 0.000 2.333 47 L HA 0.588 4.928 4.340 -0.000 0.000 0.280 47 L C -0.139 176.760 176.870 0.047 0.000 1.004 47 L CA -0.359 54.507 54.840 0.042 0.000 0.820 47 L CB 1.947 44.035 42.059 0.048 0.000 1.247 47 L HN 0.656 nan 8.230 nan 0.000 0.416 48 E N 2.571 122.798 120.200 0.045 0.000 2.134 48 E HA 0.322 4.672 4.350 -0.000 0.000 0.278 48 E C -0.939 175.679 176.600 0.029 0.000 0.959 48 E CA -0.781 55.644 56.400 0.041 0.000 0.783 48 E CB 1.841 31.578 29.700 0.061 0.000 1.095 48 E HN 0.334 nan 8.360 nan 0.000 0.399 49 V N 4.356 124.282 119.914 0.021 0.000 2.493 49 V HA 0.002 4.122 4.120 -0.000 0.000 0.292 49 V C 1.000 177.101 176.094 0.012 0.000 1.016 49 V CA 0.953 63.272 62.300 0.031 0.000 1.097 49 V CB 0.679 32.525 31.823 0.037 0.000 0.947 49 V HN 0.884 nan 8.190 nan 0.000 0.479 50 A N 4.299 127.136 122.820 0.028 0.000 1.993 50 A HA 0.269 4.589 4.320 -0.000 0.000 0.207 50 A C 0.708 178.304 177.584 0.020 0.000 1.224 50 A CA 0.536 52.580 52.037 0.012 0.000 0.749 50 A CB 0.270 19.279 19.000 0.014 0.000 0.884 50 A HN 0.899 nan 8.150 nan 0.000 0.467 51 Q N -1.313 118.527 119.800 0.066 0.000 2.578 51 Q HA 0.301 4.641 4.340 -0.000 0.000 0.284 51 Q C -1.835 174.291 176.000 0.209 0.000 0.960 51 Q CA -0.716 55.139 55.803 0.088 0.000 0.809 51 Q CB 0.535 29.301 28.738 0.047 0.000 1.462 51 Q HN 0.494 nan 8.270 nan 0.000 0.392 52 H N 1.706 120.772 119.070 -0.007 0.000 2.741 52 H HA 0.278 4.834 4.556 -0.000 0.000 0.282 52 H C 0.680 176.012 175.328 0.006 0.000 1.122 52 H CA -0.323 55.724 56.048 -0.001 0.000 1.293 52 H CB 1.079 30.834 29.762 -0.011 0.000 1.415 52 H HN 0.461 nan 8.280 nan 0.000 0.472 53 L N 2.767 124.046 121.223 0.093 0.000 2.291 53 L HA 0.043 4.383 4.340 -0.000 0.000 0.214 53 L C 1.245 178.142 176.870 0.044 0.000 1.120 53 L CA 0.810 55.684 54.840 0.056 0.000 0.799 53 L CB -0.051 42.029 42.059 0.035 0.000 0.925 53 L HN 0.874 nan 8.230 nan 0.000 0.446 54 G N -0.446 108.378 108.800 0.040 0.000 2.479 54 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 54 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 54 G C -0.180 174.727 174.900 0.011 0.000 1.295 54 G CA -0.524 44.592 45.100 0.028 0.000 0.922 54 G HN 0.238 nan 8.290 nan 0.000 0.582 55 E N -0.815 119.391 120.200 0.009 0.000 2.269 55 E HA -0.182 4.168 4.350 -0.000 0.000 0.223 55 E C 1.031 177.632 176.600 0.002 0.000 1.244 55 E CA 1.008 57.411 56.400 0.005 0.000 0.713 55 E CB -1.447 28.256 29.700 0.005 0.000 1.178 55 E HN 1.925 nan 8.360 nan 0.000 0.370 56 S N -1.782 113.916 115.700 -0.004 0.000 3.402 56 S HA -0.225 4.245 4.470 -0.000 0.000 0.329 56 S C 0.219 174.828 174.600 0.014 0.000 1.194 56 S CA 1.544 59.742 58.200 -0.003 0.000 0.951 56 S CB -0.839 62.375 63.200 0.023 0.000 0.975 56 S HN 0.496 nan 8.310 nan 0.000 0.574 57 T N 1.225 115.776 114.554 -0.006 0.000 2.855 57 T HA 0.657 5.007 4.350 -0.000 0.000 0.281 57 T C 0.162 174.859 174.700 -0.005 0.000 1.007 57 T CA -0.272 61.838 62.100 0.016 0.000 1.009 57 T CB 1.911 70.785 68.868 0.010 0.000 0.983 57 T HN 0.510 nan 8.240 nan 0.000 0.455 58 V N 0.951 120.889 119.914 0.041 0.000 2.769 58 V HA 0.779 4.899 4.120 -0.000 0.000 0.312 58 V C -0.467 175.665 176.094 0.064 0.000 1.061 58 V CA -1.402 60.921 62.300 0.039 0.000 0.931 58 V CB 1.803 33.646 31.823 0.034 0.000 1.010 58 V HN 0.851 nan 8.190 nan 0.000 0.433 59 R N 2.331 122.869 120.500 0.064 0.000 2.346 59 R HA 0.755 5.095 4.340 -0.000 0.000 0.311 59 R C -0.115 176.216 176.300 0.051 0.000 0.983 59 R CA 0.417 56.546 56.100 0.049 0.000 0.880 59 R CB 1.473 31.796 30.300 0.038 0.000 1.100 59 R HN 1.200 nan 8.270 nan 0.000 0.453 60 T N 1.158 115.738 114.554 0.043 0.000 2.887 60 T HA 0.551 4.901 4.350 -0.000 0.000 0.292 60 T C -0.252 174.464 174.700 0.027 0.000 1.087 60 T CA -0.864 61.260 62.100 0.041 0.000 1.009 60 T CB 1.157 70.057 68.868 0.054 0.000 1.203 60 T HN 0.437 nan 8.240 nan 0.000 0.518 61 I N 1.653 122.239 120.570 0.026 0.000 2.389 61 I HA 0.583 4.753 4.170 -0.000 0.000 0.288 61 I C 0.590 176.721 176.117 0.022 0.000 0.999 61 I CA -1.207 60.104 61.300 0.018 0.000 1.129 61 I CB 1.605 39.614 38.000 0.014 0.000 1.288 61 I HN 0.978 nan 8.210 nan 0.000 0.444 62 A N 7.068 129.897 122.820 0.016 0.000 2.388 62 A HA 0.431 4.751 4.320 -0.000 0.000 0.257 62 A C 0.741 178.334 177.584 0.016 0.000 1.095 62 A CA -0.233 51.814 52.037 0.017 0.000 0.791 62 A CB 0.439 19.445 19.000 0.011 0.000 1.029 62 A HN 0.750 nan 8.150 nan 0.000 0.489 63 M N 0.923 120.535 119.600 0.020 0.000 2.431 63 M HA 0.213 4.693 4.480 -0.000 0.000 0.237 63 M C -0.168 176.141 176.300 0.015 0.000 1.130 63 M CA 0.507 55.819 55.300 0.020 0.000 1.002 63 M CB -1.063 31.552 32.600 0.026 0.000 1.524 63 M HN 0.808 nan 8.290 nan 0.000 0.482 64 D N -1.306 119.101 120.400 0.012 0.000 2.713 64 D HA 0.376 5.016 4.640 -0.000 0.000 0.306 64 D C -0.556 175.748 176.300 0.006 0.000 1.299 64 D CA -0.178 53.828 54.000 0.009 0.000 0.823 64 D CB 1.003 41.809 40.800 0.010 0.000 1.353 64 D HN 0.118 nan 8.370 nan 0.000 0.447 65 G N -0.570 108.232 108.800 0.004 0.000 2.287 65 G HA2 0.285 4.245 3.960 -0.000 0.000 0.235 65 G HA3 0.285 4.245 3.960 -0.000 0.000 0.235 65 G C 0.879 175.779 174.900 0.001 0.000 1.258 65 G CA 0.837 45.938 45.100 0.002 0.000 0.884 65 G HN 0.417 nan 8.290 nan 0.000 0.518 66 T N -1.123 113.430 114.554 -0.001 0.000 3.054 66 T HA 0.156 4.506 4.350 -0.000 0.000 0.255 66 T C 0.758 175.456 174.700 -0.003 0.000 1.035 66 T CA 0.056 62.154 62.100 -0.002 0.000 0.941 66 T CB 0.091 68.957 68.868 -0.002 0.000 1.026 66 T HN 0.666 nan 8.240 nan 0.000 0.533 67 E N 1.980 122.178 120.200 -0.003 0.000 2.442 67 E HA 0.291 4.641 4.350 -0.000 0.000 0.262 67 E C 1.172 177.769 176.600 -0.005 0.000 1.004 67 E CA 0.672 57.070 56.400 -0.004 0.000 0.928 67 E CB 0.121 29.819 29.700 -0.003 0.000 0.937 67 E HN 0.466 nan 8.360 nan 0.000 0.446 68 G N 2.602 111.398 108.800 -0.006 0.000 2.195 68 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.246 68 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.246 68 G C 0.304 175.198 174.900 -0.009 0.000 0.984 68 G CA 0.203 45.298 45.100 -0.007 0.000 0.633 68 G HN 0.478 nan 8.290 nan 0.000 0.525 69 L N 0.877 122.095 121.223 -0.009 0.000 2.426 69 L HA 0.555 4.895 4.340 -0.000 0.000 0.271 69 L C 0.559 177.420 176.870 -0.015 0.000 1.169 69 L CA -0.491 54.341 54.840 -0.012 0.000 0.836 69 L CB 1.297 43.349 42.059 -0.012 0.000 1.112 69 L HN -0.009 nan 8.230 nan 0.000 0.465 70 V N 2.820 122.722 119.914 -0.018 0.000 2.769 70 V HA 0.372 4.492 4.120 -0.000 0.000 0.312 70 V C 0.091 176.170 176.094 -0.026 0.000 1.061 70 V CA -0.947 61.341 62.300 -0.020 0.000 0.931 70 V CB 2.028 33.839 31.823 -0.019 0.000 1.010 70 V HN 0.661 nan 8.190 nan 0.000 0.433 71 R N 1.976 122.461 120.500 -0.025 0.000 2.484 71 R HA 0.414 4.754 4.340 -0.000 0.000 0.293 71 R C 1.244 177.522 176.300 -0.036 0.000 1.023 71 R CA 1.246 57.327 56.100 -0.031 0.000 1.037 71 R CB 0.133 30.417 30.300 -0.026 0.000 0.951 71 R HN 1.188 nan 8.270 nan 0.000 0.418 72 G N 2.001 110.772 108.800 -0.048 0.000 2.278 72 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.210 72 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.210 72 G C 0.179 175.043 174.900 -0.060 0.000 1.000 72 G CA -0.249 44.819 45.100 -0.054 0.000 0.635 72 G HN 0.579 nan 8.290 nan 0.000 0.495 73 Q N 1.444 121.213 119.800 -0.052 0.000 2.333 73 Q HA 0.358 4.698 4.340 -0.000 0.000 0.299 73 Q C 0.338 176.297 176.000 -0.069 0.000 1.067 73 Q CA 0.525 56.298 55.803 -0.050 0.000 0.943 73 Q CB 0.291 29.006 28.738 -0.038 0.000 1.233 73 Q HN 0.446 nan 8.270 nan 0.000 0.401 74 K N 1.812 122.174 120.400 -0.062 0.000 2.270 74 K HA 0.334 4.654 4.320 -0.000 0.000 0.276 74 K C -1.126 175.434 176.600 -0.067 0.000 1.023 74 K CA -0.429 55.812 56.287 -0.077 0.000 0.955 74 K CB 1.169 33.636 32.500 -0.056 0.000 0.975 74 K HN 0.326 nan 8.250 nan 0.000 0.471 75 V N 4.315 124.172 119.914 -0.095 0.000 2.588 75 V HA 0.370 4.490 4.120 -0.000 0.000 0.304 75 V C -0.619 175.490 176.094 0.025 0.000 1.042 75 V CA -0.966 61.309 62.300 -0.042 0.000 0.877 75 V CB 1.738 33.529 31.823 -0.053 0.000 0.996 75 V HN 0.635 nan 8.190 nan 0.000 0.425 76 L N 2.845 124.115 121.223 0.079 0.000 2.317 76 L HA 0.609 4.949 4.340 -0.000 0.000 0.281 76 L C -0.494 176.466 176.870 0.150 0.000 1.024 76 L CA -0.456 54.453 54.840 0.116 0.000 0.810 76 L CB 1.824 43.916 42.059 0.056 0.000 1.240 76 L HN 0.698 nan 8.230 nan 0.000 0.427 77 D N 1.338 121.834 120.400 0.160 0.000 2.295 77 D HA 0.068 4.708 4.640 -0.000 0.000 0.248 77 D C 0.932 177.246 176.300 0.023 0.000 1.154 77 D CA -0.014 54.023 54.000 0.063 0.000 0.857 77 D CB 1.622 42.399 40.800 -0.038 0.000 1.117 77 D HN 0.520 nan 8.370 nan 0.000 0.468 78 S N 2.594 118.301 115.700 0.010 0.000 2.522 78 S HA 0.139 4.609 4.470 -0.000 0.000 0.227 78 S C 1.640 176.230 174.600 -0.018 0.000 0.986 78 S CA 0.545 58.742 58.200 -0.005 0.000 0.929 78 S CB -0.177 63.019 63.200 -0.006 0.000 0.769 78 S HN 0.897 nan 8.310 nan 0.000 0.529 79 G N 0.108 108.893 108.800 -0.024 0.000 2.157 79 G HA2 0.151 4.111 3.960 -0.000 0.000 0.248 79 G HA3 0.151 4.111 3.960 -0.000 0.000 0.248 79 G C 0.165 175.050 174.900 -0.026 0.000 0.979 79 G CA -0.147 44.935 45.100 -0.030 0.000 0.650 79 G HN 1.670 nan 8.290 nan 0.000 0.529 80 A N -1.328 121.480 122.820 -0.020 0.000 2.544 80 A HA 0.854 5.174 4.320 -0.000 0.000 0.291 80 A C -3.073 174.512 177.584 0.002 0.000 1.055 80 A CA -0.342 51.689 52.037 -0.010 0.000 0.651 80 A CB 0.641 19.638 19.000 -0.005 0.000 1.296 80 A HN 0.204 nan 8.150 nan 0.000 0.431 81 P HA 0.420 nan 4.420 nan 0.000 0.273 81 P C -0.310 177.034 177.300 0.073 0.000 1.250 81 P CA -0.265 62.867 63.100 0.054 0.000 0.793 81 P CB 0.178 31.937 31.700 0.099 0.000 1.011 82 I N 0.956 121.591 120.570 0.108 0.000 2.821 82 I HA -0.084 4.086 4.170 -0.000 0.000 0.294 82 I C 1.132 177.294 176.117 0.074 0.000 1.210 82 I CA 0.940 62.288 61.300 0.080 0.000 1.430 82 I CB -0.230 37.821 38.000 0.085 0.000 1.356 82 I HN 0.125 nan 8.210 nan 0.000 0.563 83 R N 7.547 128.083 120.500 0.060 0.000 2.562 83 R HA 0.734 5.074 4.340 -0.000 0.000 0.298 83 R C -0.663 175.724 176.300 0.144 0.000 0.961 83 R CA -0.810 55.344 56.100 0.090 0.000 0.881 83 R CB 2.034 32.377 30.300 0.071 0.000 1.159 83 R HN 0.603 nan 8.270 nan 0.000 0.450 84 I N -1.351 119.319 120.570 0.166 0.000 3.108 84 I HA 0.662 4.832 4.170 -0.000 0.000 0.312 84 I C -2.682 173.501 176.117 0.110 0.000 1.095 84 I CA -3.467 57.934 61.300 0.169 0.000 1.000 84 I CB 2.318 40.344 38.000 0.044 0.000 1.229 84 I HN 0.275 nan 8.210 nan 0.000 0.454 85 P HA 0.243 nan 4.420 nan 0.000 0.271 85 P C -0.905 176.158 177.300 -0.394 0.000 1.216 85 P CA -0.147 62.684 63.100 -0.450 0.000 0.771 85 P CB 0.988 32.491 31.700 -0.328 0.000 0.864 86 V N -0.265 119.310 119.914 -0.564 0.000 2.971 86 V HA 1.009 5.129 4.120 -0.000 0.000 0.309 86 V C -0.126 175.366 176.094 -1.005 0.000 1.130 86 V CA -0.143 61.738 62.300 -0.698 0.000 0.964 86 V CB 1.505 32.939 31.823 -0.648 0.000 1.029 86 V HN 0.962 nan 8.190 nan 0.000 0.427 87 G N 3.148 111.220 108.800 -1.213 0.000 2.343 87 G HA2 0.150 4.110 3.960 -0.000 0.000 0.562 87 G HA3 0.150 4.110 3.960 -0.000 0.000 0.562 87 G C -2.518 172.249 174.900 -0.221 0.000 1.269 87 G CA 0.005 44.549 45.100 -0.927 0.000 1.011 87 G HN 0.738 nan 8.290 nan 0.000 0.498 88 P HA -0.031 nan 4.420 nan 0.000 0.221 88 P C 1.168 178.435 177.300 -0.054 0.000 1.145 88 P CA 1.396 64.502 63.100 0.010 0.000 0.795 88 P CB 0.104 31.822 31.700 0.030 0.000 0.775 89 E N -0.429 119.715 120.200 -0.092 0.000 2.347 89 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 89 E C 1.866 178.421 176.600 -0.074 0.000 1.008 89 E CA 1.453 57.800 56.400 -0.088 0.000 0.852 89 E CB -1.009 28.617 29.700 -0.123 0.000 0.783 89 E HN 0.450 nan 8.360 nan 0.000 0.505 90 T N -1.272 113.238 114.554 -0.073 0.000 3.023 90 T HA 0.037 4.387 4.350 -0.000 0.000 0.266 90 T C 1.233 175.945 174.700 0.021 0.000 1.093 90 T CA -0.025 62.057 62.100 -0.030 0.000 1.129 90 T CB -0.220 68.624 68.868 -0.039 0.000 0.899 90 T HN -0.043 nan 8.240 nan 0.000 0.491 91 L N 1.970 123.193 121.223 0.001 0.000 2.462 91 L HA 0.437 4.777 4.340 -0.000 0.000 0.272 91 L C 1.704 178.578 176.870 0.006 0.000 1.166 91 L CA 0.823 55.647 54.840 -0.028 0.000 0.880 91 L CB 0.121 42.082 42.059 -0.163 0.000 1.142 91 L HN 0.549 nan 8.230 nan 0.000 0.473 92 G N 1.848 110.675 108.800 0.045 0.000 2.179 92 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.260 92 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.260 92 G C 0.386 175.353 174.900 0.112 0.000 0.977 92 G CA -0.340 44.806 45.100 0.077 0.000 0.641 92 G HN 0.457 nan 8.290 nan 0.000 0.533 93 R N -0.147 120.397 120.500 0.073 0.000 2.643 93 R HA 0.785 5.125 4.340 -0.000 0.000 0.272 93 R C 0.287 176.607 176.300 0.034 0.000 0.995 93 R CA -1.015 55.112 56.100 0.046 0.000 1.032 93 R CB 0.701 31.011 30.300 0.017 0.000 1.126 93 R HN 0.314 nan 8.270 nan 0.000 0.505 94 I N 2.990 123.544 120.570 -0.027 0.000 2.406 94 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 94 I C 0.402 176.518 176.117 -0.001 0.000 0.999 94 I CA -0.624 60.661 61.300 -0.025 0.000 1.124 94 I CB 1.489 39.379 38.000 -0.184 0.000 1.289 94 I HN 0.404 nan 8.210 nan 0.000 0.441 95 M N 5.251 124.878 119.600 0.045 0.000 2.716 95 M HA 0.568 5.048 4.480 -0.000 0.000 0.307 95 M C -1.224 175.109 176.300 0.056 0.000 1.223 95 M CA -0.668 54.652 55.300 0.034 0.000 0.871 95 M CB 2.212 34.825 32.600 0.020 0.000 1.739 95 M HN 0.613 nan 8.290 nan 0.000 0.475 96 N N 0.010 118.734 118.700 0.040 0.000 2.604 96 N HA 0.472 5.212 4.740 -0.000 0.000 0.297 96 N C 0.690 176.219 175.510 0.032 0.000 1.266 96 N CA -0.979 52.098 53.050 0.046 0.000 0.961 96 N CB 1.177 39.687 38.487 0.037 0.000 1.166 96 N HN 0.539 nan 8.380 nan 0.000 0.601 97 V N -0.575 119.356 119.914 0.028 0.000 2.277 97 V HA -0.287 3.833 4.120 -0.000 0.000 0.253 97 V C 1.954 178.059 176.094 0.018 0.000 1.067 97 V CA 1.988 64.298 62.300 0.017 0.000 1.047 97 V CB -1.385 30.450 31.823 0.020 0.000 0.649 97 V HN 0.763 nan 8.190 nan 0.000 0.447 98 I N -1.426 119.159 120.570 0.025 0.000 3.864 98 I HA 0.685 4.855 4.170 -0.000 0.000 0.326 98 I C 1.336 177.476 176.117 0.040 0.000 1.444 98 I CA 0.461 61.780 61.300 0.031 0.000 1.195 98 I CB -0.342 37.676 38.000 0.029 0.000 1.124 98 I HN 0.350 nan 8.210 nan 0.000 0.407 99 G N 0.931 109.753 108.800 0.036 0.000 2.162 99 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 99 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 99 G C -0.049 174.879 174.900 0.046 0.000 0.976 99 G CA 0.130 45.257 45.100 0.045 0.000 0.655 99 G HN 0.660 nan 8.290 nan 0.000 0.533 100 E N 1.865 122.086 120.200 0.036 0.000 2.313 100 E HA 0.371 4.721 4.350 -0.000 0.000 0.276 100 E C -2.179 174.431 176.600 0.017 0.000 1.031 100 E CA -1.842 54.575 56.400 0.029 0.000 0.857 100 E CB 1.182 30.896 29.700 0.022 0.000 1.040 100 E HN 0.192 nan 8.360 nan 0.000 0.408 101 P HA -0.013 nan 4.420 nan 0.000 0.268 101 P C 0.076 177.366 177.300 -0.016 0.000 1.204 101 P CA 0.543 63.640 63.100 -0.004 0.000 0.768 101 P CB 0.282 31.981 31.700 -0.001 0.000 0.842 102 I N -0.647 119.899 120.570 -0.040 0.000 3.621 102 I HA 0.265 4.435 4.170 -0.000 0.000 0.325 102 I C 0.047 176.098 176.117 -0.110 0.000 1.554 102 I CA -0.337 60.928 61.300 -0.057 0.000 1.053 102 I CB 0.263 38.235 38.000 -0.045 0.000 1.302 102 I HN 0.041 nan 8.210 nan 0.000 0.518 103 D N 0.291 120.625 120.400 -0.111 0.000 2.433 103 D HA 0.044 4.684 4.640 -0.000 0.000 0.211 103 D C 0.456 176.727 176.300 -0.048 0.000 1.114 103 D CA -0.132 53.780 54.000 -0.147 0.000 0.837 103 D CB -0.004 40.689 40.800 -0.178 0.000 0.984 103 D HN 0.452 nan 8.370 nan 0.000 0.505 104 E N -0.123 120.060 120.200 -0.028 0.000 2.586 104 E HA -0.242 4.108 4.350 -0.000 0.000 0.259 104 E C 0.217 176.824 176.600 0.012 0.000 1.107 104 E CA 0.258 56.656 56.400 -0.003 0.000 0.754 104 E CB -0.958 28.745 29.700 0.004 0.000 1.335 104 E HN 0.397 nan 8.360 nan 0.000 0.411 105 R N -0.227 120.279 120.500 0.011 0.000 2.509 105 R HA 0.283 4.622 4.340 -0.000 0.000 0.300 105 R C 0.791 177.100 176.300 0.016 0.000 0.985 105 R CA 0.352 56.465 56.100 0.022 0.000 1.092 105 R CB 1.237 31.557 30.300 0.034 0.000 1.237 105 R HN 0.303 nan 8.270 nan 0.000 0.546 106 G N 2.222 111.029 108.800 0.011 0.000 2.685 106 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.387 106 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.387 106 G C -2.704 172.203 174.900 0.012 0.000 1.324 106 G CA -1.238 43.869 45.100 0.012 0.000 0.878 106 G HN 0.008 nan 8.290 nan 0.000 0.527 107 P HA 0.408 nan 4.420 nan 0.000 0.268 107 P C 0.112 177.421 177.300 0.016 0.000 1.205 107 P CA -0.071 63.042 63.100 0.023 0.000 0.771 107 P CB 0.413 32.132 31.700 0.031 0.000 0.858 108 I N 3.211 123.790 120.570 0.016 0.000 2.294 108 I HA 0.111 4.281 4.170 -0.000 0.000 0.295 108 I C 0.913 177.018 176.117 -0.019 0.000 1.098 108 I CA -0.268 61.023 61.300 -0.014 0.000 1.277 108 I CB -0.018 37.960 38.000 -0.037 0.000 1.434 108 I HN 0.085 nan 8.210 nan 0.000 0.498 109 K N 5.552 125.939 120.400 -0.022 0.000 2.307 109 K HA 0.150 4.470 4.320 -0.000 0.000 0.240 109 K C 0.490 177.050 176.600 -0.067 0.000 1.214 109 K CA -0.250 56.029 56.287 -0.013 0.000 1.149 109 K CB -0.260 32.240 32.500 0.001 0.000 1.668 109 K HN 0.627 nan 8.250 nan 0.000 0.314 110 T N -1.897 112.562 114.554 -0.158 0.000 2.902 110 T HA 0.228 4.578 4.350 -0.000 0.000 0.280 110 T C 0.795 175.377 174.700 -0.197 0.000 0.992 110 T CA -0.793 61.150 62.100 -0.263 0.000 1.015 110 T CB 1.376 69.944 68.868 -0.500 0.000 1.044 110 T HN 0.327 nan 8.240 nan 0.000 0.520 111 K N 0.087 120.387 120.400 -0.166 0.000 2.361 111 K HA 0.216 4.536 4.320 -0.000 0.000 0.194 111 K C 0.502 177.065 176.600 -0.062 0.000 1.032 111 K CA 0.184 56.438 56.287 -0.054 0.000 1.048 111 K CB 0.342 32.833 32.500 -0.016 0.000 0.842 111 K HN 0.519 nan 8.250 nan 0.000 0.526 112 Q N -0.052 119.594 119.800 -0.256 0.000 2.375 112 Q HA 0.473 4.813 4.340 -0.000 0.000 0.271 112 Q C -1.312 174.366 176.000 -0.537 0.000 1.074 112 Q CA -0.660 55.014 55.803 -0.215 0.000 0.808 112 Q CB 1.820 30.468 28.738 -0.151 0.000 1.327 112 Q HN -0.076 nan 8.270 nan 0.000 0.441 113 F N 0.420 120.335 119.950 -0.058 0.000 2.579 113 F HA 0.900 5.427 4.527 -0.000 0.000 0.324 113 F C -0.177 175.600 175.800 -0.038 0.000 1.058 113 F CA -0.826 57.139 58.000 -0.059 0.000 0.944 113 F CB 2.043 41.021 39.000 -0.037 0.000 1.245 113 F HN 0.549 nan 8.300 nan 0.000 0.477 114 A N 0.736 123.635 122.820 0.132 0.000 2.549 114 A HA 0.822 5.142 4.320 -0.000 0.000 0.297 114 A C -1.388 176.240 177.584 0.075 0.000 1.061 114 A CA -0.709 51.375 52.037 0.079 0.000 0.690 114 A CB 0.974 19.992 19.000 0.031 0.000 1.287 114 A HN 1.063 nan 8.150 nan 0.000 0.402 115 A N 1.147 124.007 122.820 0.067 0.000 2.440 115 A HA 0.490 4.810 4.320 -0.000 0.000 0.251 115 A C 1.060 178.668 177.584 0.039 0.000 1.089 115 A CA 0.152 52.231 52.037 0.070 0.000 0.779 115 A CB -0.380 18.670 19.000 0.083 0.000 1.022 115 A HN 1.716 nan 8.150 nan 0.000 0.492 116 I N -0.529 120.047 120.570 0.011 0.000 3.291 116 I HA 0.064 4.234 4.170 -0.000 0.000 0.279 116 I C 0.085 176.074 176.117 -0.214 0.000 1.294 116 I CA 0.376 61.615 61.300 -0.101 0.000 1.428 116 I CB -0.402 37.513 38.000 -0.143 0.000 1.070 116 I HN 0.492 nan 8.210 nan 0.000 0.478 117 H N 2.152 121.227 119.070 0.009 0.000 2.499 117 H HA 0.844 5.400 4.556 -0.000 0.000 0.340 117 H C -0.524 174.806 175.328 0.004 0.000 1.148 117 H CA -0.179 55.874 56.048 0.007 0.000 1.215 117 H CB 1.993 31.761 29.762 0.010 0.000 1.529 117 H HN 0.365 nan 8.280 nan 0.000 0.510 118 A N 2.262 125.151 122.820 0.114 0.000 2.569 118 A HA 0.217 4.537 4.320 -0.000 0.000 0.292 118 A C -0.956 176.656 177.584 0.047 0.000 1.032 118 A CA -0.945 51.130 52.037 0.064 0.000 0.669 118 A CB 1.217 20.238 19.000 0.035 0.000 1.290 118 A HN 0.585 nan 8.150 nan 0.000 0.422 119 E N 0.836 121.056 120.200 0.035 0.000 2.373 119 E HA 0.442 4.792 4.350 -0.000 0.000 0.267 119 E C 0.631 177.243 176.600 0.020 0.000 1.032 119 E CA 0.353 56.770 56.400 0.028 0.000 0.889 119 E CB 1.243 30.957 29.700 0.024 0.000 0.984 119 E HN 0.929 nan 8.360 nan 0.000 0.425 120 A N 4.349 127.181 122.820 0.020 0.000 2.386 120 A HA 0.323 4.643 4.320 -0.000 0.000 0.248 120 A C -1.997 175.598 177.584 0.018 0.000 1.082 120 A CA -1.103 50.942 52.037 0.014 0.000 0.789 120 A CB -0.516 18.496 19.000 0.020 0.000 1.025 120 A HN 0.333 nan 8.150 nan 0.000 0.490 121 P HA 0.029 nan 4.420 nan 0.000 0.266 121 P C -0.110 177.208 177.300 0.030 0.000 1.186 121 P CA 0.314 63.420 63.100 0.010 0.000 0.767 121 P CB 0.364 32.061 31.700 -0.005 0.000 0.820 122 E N 1.272 121.493 120.200 0.035 0.000 2.345 122 E HA 0.043 4.393 4.350 -0.000 0.000 0.259 122 E C 0.856 177.515 176.600 0.098 0.000 1.117 122 E CA -0.416 56.028 56.400 0.073 0.000 0.913 122 E CB 0.241 29.982 29.700 0.068 0.000 1.057 122 E HN 0.387 nan 8.360 nan 0.000 0.432 123 F N 2.052 122.001 119.950 -0.002 0.000 2.120 123 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 123 F C 1.932 177.729 175.800 -0.004 0.000 1.095 123 F CA 2.040 60.038 58.000 -0.003 0.000 1.249 123 F CB -0.276 38.722 39.000 -0.003 0.000 0.995 123 F HN 0.283 nan 8.300 nan 0.000 0.480 124 V N -1.826 118.109 119.914 0.034 0.000 3.026 124 V HA -0.175 3.945 4.120 -0.000 0.000 0.265 124 V C 1.396 177.423 176.094 -0.111 0.000 1.121 124 V CA 1.964 64.224 62.300 -0.066 0.000 1.142 124 V CB -1.084 30.759 31.823 0.033 0.000 0.730 124 V HN 0.507 nan 8.190 nan 0.000 0.503 125 E N -0.202 119.945 120.200 -0.089 0.000 2.472 125 E HA 0.206 4.556 4.350 -0.000 0.000 0.196 125 E C 0.524 177.059 176.600 -0.107 0.000 1.033 125 E CA -0.333 56.022 56.400 -0.076 0.000 0.886 125 E CB 0.019 29.696 29.700 -0.038 0.000 0.944 125 E HN 0.451 nan 8.360 nan 0.000 0.492 126 M N 1.189 120.684 119.600 -0.175 0.000 2.245 126 M HA 0.090 4.570 4.480 -0.000 0.000 0.330 126 M C 0.467 176.674 176.300 -0.154 0.000 1.098 126 M CA 0.092 55.290 55.300 -0.170 0.000 1.172 126 M CB 0.825 33.282 32.600 -0.237 0.000 1.467 126 M HN -0.138 nan 8.290 nan 0.000 0.454 127 S N 1.021 116.657 115.700 -0.107 0.000 2.549 127 S HA 0.646 5.116 4.470 -0.000 0.000 0.297 127 S C 0.292 174.846 174.600 -0.076 0.000 1.115 127 S CA -0.776 57.374 58.200 -0.084 0.000 1.059 127 S CB 1.008 64.173 63.200 -0.058 0.000 1.046 127 S HN 0.594 nan 8.310 nan 0.000 0.506 128 V N 0.475 120.350 119.914 -0.065 0.000 3.253 128 V HA 0.515 4.635 4.120 -0.000 0.000 0.320 128 V C -0.134 175.940 176.094 -0.033 0.000 1.442 128 V CA -0.472 61.798 62.300 -0.050 0.000 1.097 128 V CB -0.136 31.655 31.823 -0.054 0.000 1.008 128 V HN 0.698 nan 8.190 nan 0.000 0.463 129 E N 2.481 122.664 120.200 -0.030 0.000 2.290 129 E HA 0.364 4.714 4.350 -0.000 0.000 0.277 129 E C -0.467 176.126 176.600 -0.012 0.000 1.035 129 E CA 0.194 56.583 56.400 -0.019 0.000 0.873 129 E CB 1.005 30.695 29.700 -0.017 0.000 1.029 129 E HN 0.543 nan 8.360 nan 0.000 0.419 130 Q N 2.352 122.148 119.800 -0.007 0.000 2.368 130 Q HA 0.316 4.656 4.340 -0.000 0.000 0.263 130 Q C -0.472 175.533 176.000 0.008 0.000 1.009 130 Q CA -0.254 55.549 55.803 0.001 0.000 0.818 130 Q CB 2.105 30.842 28.738 -0.001 0.000 1.239 130 Q HN 0.518 nan 8.270 nan 0.000 0.464 131 E N 3.479 123.689 120.200 0.016 0.000 2.275 131 E HA 0.362 4.712 4.350 -0.000 0.000 0.270 131 E C -1.040 175.585 176.600 0.040 0.000 0.882 131 E CA -0.618 55.797 56.400 0.025 0.000 0.758 131 E CB 2.035 31.747 29.700 0.021 0.000 1.195 131 E HN 0.613 nan 8.360 nan 0.000 0.419 132 I N 3.957 124.558 120.570 0.051 0.000 2.836 132 I HA 0.067 4.237 4.170 -0.000 0.000 0.285 132 I C -0.798 175.363 176.117 0.074 0.000 1.174 132 I CA -0.191 61.152 61.300 0.071 0.000 1.405 132 I CB 0.557 38.608 38.000 0.085 0.000 1.385 132 I HN 0.520 nan 8.210 nan 0.000 0.594 133 L N 7.991 129.271 121.223 0.095 0.000 2.401 133 L HA 0.384 4.724 4.340 -0.000 0.000 0.263 133 L C -1.012 175.910 176.870 0.087 0.000 1.004 133 L CA -0.378 54.520 54.840 0.097 0.000 0.881 133 L CB 1.191 43.323 42.059 0.122 0.000 1.219 133 L HN 0.280 nan 8.230 nan 0.000 0.441 134 V N 4.085 124.034 119.914 0.058 0.000 2.479 134 V HA 0.156 4.276 4.120 -0.000 0.000 0.281 134 V C 1.574 177.677 176.094 0.015 0.000 1.031 134 V CA 0.696 63.013 62.300 0.028 0.000 1.038 134 V CB 0.749 32.589 31.823 0.027 0.000 0.981 134 V HN 0.916 nan 8.190 nan 0.000 0.478 135 T N 0.606 115.142 114.554 -0.030 0.000 3.044 135 T HA 0.232 4.582 4.350 -0.000 0.000 0.255 135 T C 1.477 176.156 174.700 -0.036 0.000 1.073 135 T CA 0.874 62.955 62.100 -0.033 0.000 1.125 135 T CB 0.327 69.128 68.868 -0.112 0.000 0.908 135 T HN 1.471 nan 8.240 nan 0.000 0.480 136 G N 1.325 110.104 108.800 -0.034 0.000 2.175 136 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.244 136 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.244 136 G C -0.015 174.879 174.900 -0.009 0.000 0.982 136 G CA 0.029 45.118 45.100 -0.019 0.000 0.641 136 G HN 0.647 nan 8.290 nan 0.000 0.527 137 I N 1.124 121.680 120.570 -0.023 0.000 2.304 137 I HA 0.270 4.440 4.170 -0.000 0.000 0.291 137 I C 1.598 177.708 176.117 -0.011 0.000 1.018 137 I CA -0.725 60.592 61.300 0.028 0.000 1.260 137 I CB 1.344 39.373 38.000 0.049 0.000 1.390 137 I HN -0.000 nan 8.210 nan 0.000 0.475 138 K N 3.715 124.115 120.400 -0.001 0.000 2.001 138 K HA -0.189 4.131 4.320 -0.000 0.000 0.214 138 K C 1.798 178.363 176.600 -0.058 0.000 1.050 138 K CA 1.733 58.007 56.287 -0.021 0.000 0.934 138 K CB -0.192 32.291 32.500 -0.028 0.000 0.718 138 K HN 0.583 nan 8.250 nan 0.000 0.443 139 V N 0.656 120.545 119.914 -0.042 0.000 2.287 139 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 139 V C 2.339 178.387 176.094 -0.076 0.000 1.053 139 V CA 1.820 64.078 62.300 -0.069 0.000 1.027 139 V CB -0.918 30.902 31.823 -0.005 0.000 0.646 139 V HN 0.069 nan 8.190 nan 0.000 0.447 140 V N 0.686 120.553 119.914 -0.079 0.000 2.237 140 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 140 V C 2.462 178.469 176.094 -0.146 0.000 1.046 140 V CA 2.403 64.607 62.300 -0.161 0.000 1.007 140 V CB -0.855 30.745 31.823 -0.370 0.000 0.638 140 V HN 0.509 nan 8.190 nan 0.000 0.445 141 D N -0.186 120.137 120.400 -0.127 0.000 2.123 141 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 141 D C 1.935 178.253 176.300 0.029 0.000 0.992 141 D CA 1.269 55.236 54.000 -0.055 0.000 0.833 141 D CB -0.265 40.499 40.800 -0.061 0.000 0.954 141 D HN 0.327 nan 8.370 nan 0.000 0.455 142 L N 0.280 121.479 121.223 -0.041 0.000 1.993 142 L HA -0.048 4.292 4.340 -0.000 0.000 0.206 142 L C 2.223 179.145 176.870 0.087 0.000 1.074 142 L CA 1.446 56.271 54.840 -0.025 0.000 0.746 142 L CB -0.489 41.421 42.059 -0.248 0.000 0.896 142 L HN -0.020 nan 8.230 nan 0.000 0.435 143 L N -0.922 120.282 121.223 -0.032 0.000 2.162 143 L HA 0.158 4.498 4.340 -0.000 0.000 0.205 143 L C 0.828 177.705 176.870 0.011 0.000 1.086 143 L CA 0.702 55.524 54.840 -0.031 0.000 0.778 143 L CB -0.369 41.647 42.059 -0.071 0.000 0.928 143 L HN 0.351 nan 8.230 nan 0.000 0.446 144 A N 0.131 122.969 122.820 0.030 0.000 3.409 144 A HA 0.440 4.760 4.320 -0.000 0.000 0.282 144 A C -2.603 175.036 177.584 0.090 0.000 1.064 144 A CA -0.940 51.139 52.037 0.070 0.000 0.889 144 A CB -0.150 18.908 19.000 0.097 0.000 1.251 144 A HN -0.137 nan 8.150 nan 0.000 0.538 145 P HA 0.107 nan 4.420 nan 0.000 0.266 145 P C -0.645 176.780 177.300 0.208 0.000 1.195 145 P CA 0.504 63.651 63.100 0.077 0.000 0.768 145 P CB 0.397 32.160 31.700 0.105 0.000 0.838 146 Y N 0.761 121.095 120.300 0.055 0.000 2.300 146 Y HA 0.482 5.032 4.550 -0.000 0.000 0.328 146 Y C 1.019 176.936 175.900 0.029 0.000 1.270 146 Y CA -1.487 56.637 58.100 0.039 0.000 1.352 146 Y CB 0.163 38.644 38.460 0.035 0.000 1.286 146 Y HN 0.399 nan 8.280 nan 0.000 0.536 147 A N 2.246 125.166 122.820 0.167 0.000 2.365 147 A HA 0.504 4.824 4.320 -0.000 0.000 0.318 147 A C -0.621 176.990 177.584 0.046 0.000 1.091 147 A CA -1.163 50.925 52.037 0.086 0.000 0.763 147 A CB 0.782 19.813 19.000 0.052 0.000 1.248 147 A HN 0.705 nan 8.150 nan 0.000 0.442 148 K N 0.993 121.416 120.400 0.038 0.000 2.472 148 K HA 0.290 4.610 4.320 -0.000 0.000 0.280 148 K C 1.101 177.695 176.600 -0.010 0.000 1.028 148 K CA 1.165 57.461 56.287 0.014 0.000 1.045 148 K CB 0.164 32.678 32.500 0.023 0.000 0.902 148 K HN 1.624 nan 8.250 nan 0.000 0.478 149 G N 2.197 110.974 108.800 -0.038 0.000 2.168 149 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.257 149 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.257 149 G C 0.436 175.302 174.900 -0.056 0.000 0.997 149 G CA 0.129 45.199 45.100 -0.051 0.000 0.708 149 G HN 0.866 nan 8.290 nan 0.000 0.520 150 G N -0.930 107.834 108.800 -0.059 0.000 2.511 150 G HA2 0.623 4.583 3.960 -0.000 0.000 0.316 150 G HA3 0.623 4.583 3.960 -0.000 0.000 0.316 150 G C -0.204 174.635 174.900 -0.101 0.000 1.210 150 G CA -0.850 44.216 45.100 -0.058 0.000 0.969 150 G HN 0.355 nan 8.290 nan 0.000 0.492 151 K N 0.045 120.393 120.400 -0.086 0.000 2.240 151 K HA 0.430 4.750 4.320 -0.000 0.000 0.271 151 K C -1.024 175.493 176.600 -0.139 0.000 1.018 151 K CA -0.236 55.984 56.287 -0.112 0.000 0.874 151 K CB 1.838 34.300 32.500 -0.064 0.000 1.098 151 K HN 0.198 nan 8.250 nan 0.000 0.458 152 I N 1.490 121.922 120.570 -0.229 0.000 2.404 152 I HA 0.320 4.490 4.170 -0.000 0.000 0.293 152 I C 0.336 176.328 176.117 -0.208 0.000 0.992 152 I CA -0.310 60.803 61.300 -0.312 0.000 1.149 152 I CB 2.109 39.709 38.000 -0.668 0.000 1.315 152 I HN 0.627 nan 8.210 nan 0.000 0.446 153 G N 6.615 115.353 108.800 -0.103 0.000 2.530 153 G HA2 0.700 4.660 3.960 -0.000 0.000 0.316 153 G HA3 0.700 4.660 3.960 -0.000 0.000 0.316 153 G C -0.983 173.905 174.900 -0.020 0.000 1.298 153 G CA -0.535 44.495 45.100 -0.118 0.000 0.948 153 G HN 0.460 nan 8.290 nan 0.000 0.486 154 L N 2.477 123.636 121.223 -0.107 0.000 2.313 154 L HA 0.412 4.752 4.340 -0.000 0.000 0.273 154 L C -0.770 176.074 176.870 -0.043 0.000 1.028 154 L CA -0.643 54.221 54.840 0.040 0.000 0.871 154 L CB 0.575 42.679 42.059 0.075 0.000 1.242 154 L HN 0.309 nan 8.230 nan 0.000 0.434 155 F N 1.345 121.296 119.950 0.001 0.000 2.399 155 F HA 0.700 5.227 4.527 0.000 0.000 0.342 155 F C 1.076 176.880 175.800 0.007 0.000 1.106 155 F CA -0.304 57.677 58.000 -0.031 0.000 1.196 155 F CB 1.663 40.625 39.000 -0.063 0.000 1.163 155 F HN 0.421 nan 8.300 nan 0.000 0.547 156 G N 0.773 109.646 108.800 0.122 0.000 2.691 156 G HA2 0.492 4.452 3.960 -0.000 0.000 0.298 156 G HA3 0.492 4.452 3.960 -0.000 0.000 0.298 156 G C -0.678 174.199 174.900 -0.039 0.000 1.471 156 G CA -0.418 44.729 45.100 0.080 0.000 0.912 156 G HN 0.925 nan 8.290 nan 0.000 0.553 157 G N -0.298 108.469 108.800 -0.054 0.000 2.588 157 G HA2 0.667 4.627 3.960 -0.000 0.000 0.278 157 G HA3 0.667 4.627 3.960 -0.000 0.000 0.278 157 G C 0.777 175.703 174.900 0.043 0.000 1.307 157 G CA 0.340 45.355 45.100 -0.141 0.000 1.016 157 G HN 1.691 nan 8.290 nan 0.000 0.503 158 A N -1.149 121.748 122.820 0.129 0.000 2.524 158 A HA 0.500 4.820 4.320 -0.000 0.000 0.250 158 A C 1.557 179.228 177.584 0.144 0.000 1.078 158 A CA 0.998 53.177 52.037 0.237 0.000 0.761 158 A CB -0.686 18.455 19.000 0.234 0.000 1.012 158 A HN 2.545 nan 8.150 nan 0.000 0.500 159 G N 1.360 110.244 108.800 0.141 0.000 2.305 159 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.287 159 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.287 159 G C 0.653 175.629 174.900 0.126 0.000 1.036 159 G CA 0.515 45.680 45.100 0.108 0.000 0.887 159 G HN 1.707 nan 8.290 nan 0.000 0.505 160 V N -0.823 119.178 119.914 0.144 0.000 3.590 160 V HA 0.548 4.668 4.120 -0.000 0.000 0.265 160 V C 1.863 178.095 176.094 0.230 0.000 1.239 160 V CA 2.149 64.552 62.300 0.172 0.000 1.117 160 V CB 0.155 32.056 31.823 0.130 0.000 0.818 160 V HN 2.038 nan 8.190 nan 0.000 0.451 161 G N 0.002 108.919 108.800 0.194 0.000 2.155 161 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.130 161 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.130 161 G C 0.620 175.640 174.900 0.200 0.000 1.027 161 G CA 0.275 45.498 45.100 0.204 0.000 0.705 161 G HN 0.420 nan 8.290 nan 0.000 0.496 162 K N 0.021 120.526 120.400 0.174 0.000 2.032 162 K HA -0.072 4.248 4.320 -0.000 0.000 0.209 162 K C 2.554 179.252 176.600 0.163 0.000 1.048 162 K CA 1.981 58.366 56.287 0.163 0.000 0.927 162 K CB -0.289 32.294 32.500 0.139 0.000 0.712 162 K HN 0.315 nan 8.250 nan 0.000 0.441 163 T N 1.200 115.846 114.554 0.154 0.000 2.708 163 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 163 T C 2.092 176.882 174.700 0.150 0.000 1.037 163 T CA 1.207 63.399 62.100 0.153 0.000 1.146 163 T CB -0.302 68.648 68.868 0.138 0.000 0.865 163 T HN -0.063 nan 8.240 nan 0.000 0.435 164 V N 1.635 121.649 119.914 0.167 0.000 2.324 164 V HA -0.148 3.972 4.120 -0.000 0.000 0.250 164 V C 2.417 178.636 176.094 0.208 0.000 1.060 164 V CA 1.436 63.856 62.300 0.200 0.000 1.042 164 V CB -0.699 31.271 31.823 0.245 0.000 0.650 164 V HN 0.316 nan 8.190 nan 0.000 0.450 165 L N -0.303 121.067 121.223 0.244 0.000 2.027 165 L HA -0.097 4.243 4.340 -0.000 0.000 0.206 165 L C 2.118 179.056 176.870 0.114 0.000 1.074 165 L CA 1.786 56.763 54.840 0.227 0.000 0.745 165 L CB -0.575 41.653 42.059 0.282 0.000 0.898 165 L HN 0.254 nan 8.230 nan 0.000 0.433 166 I N -1.265 119.386 120.570 0.134 0.000 2.394 166 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 166 I C 2.100 178.218 176.117 0.001 0.000 1.136 166 I CA 0.891 62.265 61.300 0.124 0.000 1.425 166 I CB 0.065 38.175 38.000 0.183 0.000 1.079 166 I HN 0.303 nan 8.210 nan 0.000 0.425 167 M N -0.281 119.320 119.600 0.002 0.000 2.132 167 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 167 M C 2.149 178.371 176.300 -0.129 0.000 1.065 167 M CA 1.535 56.790 55.300 -0.076 0.000 1.122 167 M CB -1.347 31.239 32.600 -0.024 0.000 1.365 167 M HN 0.169 nan 8.290 nan 0.000 0.411 168 E N 0.919 121.029 120.200 -0.150 0.000 2.110 168 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 168 E C 2.032 178.496 176.600 -0.227 0.000 0.988 168 E CA 1.169 57.390 56.400 -0.299 0.000 0.804 168 E CB -0.290 28.961 29.700 -0.748 0.000 0.745 168 E HN 0.476 nan 8.360 nan 0.000 0.458 169 L N -0.064 121.082 121.223 -0.130 0.000 2.093 169 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 169 L C 2.392 179.237 176.870 -0.042 0.000 1.085 169 L CA 0.832 55.672 54.840 -0.000 0.000 0.755 169 L CB -0.287 41.885 42.059 0.188 0.000 0.904 169 L HN 0.231 nan 8.230 nan 0.000 0.435 170 I N -0.082 120.331 120.570 -0.261 0.000 2.252 170 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 170 I C 2.246 178.266 176.117 -0.161 0.000 1.102 170 I CA 1.449 62.505 61.300 -0.406 0.000 1.385 170 I CB -0.258 37.396 38.000 -0.577 0.000 1.064 170 I HN 0.332 nan 8.210 nan 0.000 0.414 171 N N 0.842 119.456 118.700 -0.143 0.000 2.244 171 N HA -0.172 4.568 4.740 -0.000 0.000 0.183 171 N C 1.437 176.909 175.510 -0.063 0.000 1.016 171 N CA 1.363 54.355 53.050 -0.097 0.000 0.866 171 N CB 0.077 38.498 38.487 -0.111 0.000 0.980 171 N HN 0.209 nan 8.380 nan 0.000 0.430 172 N N -1.300 117.364 118.700 -0.060 0.000 2.356 172 N HA 0.083 4.823 4.740 -0.000 0.000 0.178 172 N C 0.821 176.344 175.510 0.022 0.000 1.075 172 N CA 0.406 53.438 53.050 -0.030 0.000 0.889 172 N CB 0.679 39.133 38.487 -0.056 0.000 0.999 172 N HN 0.119 nan 8.380 nan 0.000 0.464 173 V N -0.393 119.556 119.914 0.058 0.000 3.029 173 V HA 0.293 4.413 4.120 -0.000 0.000 0.230 173 V C 2.085 178.253 176.094 0.125 0.000 1.254 173 V CA 0.827 63.188 62.300 0.102 0.000 1.276 173 V CB -0.690 31.221 31.823 0.147 0.000 1.080 173 V HN 0.106 nan 8.190 nan 0.000 0.495 174 A N 0.513 123.423 122.820 0.150 0.000 1.908 174 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 174 A C 2.197 179.867 177.584 0.142 0.000 1.181 174 A CA 2.194 54.335 52.037 0.174 0.000 0.627 174 A CB -0.459 18.633 19.000 0.152 0.000 0.818 174 A HN 0.510 nan 8.150 nan 0.000 0.445 175 K N -0.515 119.929 120.400 0.073 0.000 2.026 175 K HA -0.051 4.269 4.320 -0.000 0.000 0.208 175 K C 1.582 178.222 176.600 0.065 0.000 1.048 175 K CA 1.203 57.521 56.287 0.051 0.000 0.929 175 K CB -0.282 32.227 32.500 0.014 0.000 0.713 175 K HN 0.402 nan 8.250 nan 0.000 0.439 176 A N 1.485 124.349 122.820 0.073 0.000 2.503 176 A HA 0.001 4.321 4.320 -0.000 0.000 0.263 176 A C -0.479 177.174 177.584 0.114 0.000 1.360 176 A CA -0.028 52.049 52.037 0.067 0.000 0.969 176 A CB -0.662 18.369 19.000 0.050 0.000 1.000 176 A HN 0.249 nan 8.150 nan 0.000 0.530 177 H N -1.664 117.412 119.070 0.010 0.000 2.466 177 H HA 0.531 5.087 4.556 -0.000 0.000 0.338 177 H C 1.303 176.610 175.328 -0.036 0.000 1.091 177 H CA 0.108 56.155 56.048 -0.002 0.000 1.207 177 H CB 1.434 31.210 29.762 0.024 0.000 1.466 177 H HN 0.083 nan 8.280 nan 0.000 0.493 178 G N 3.013 111.486 108.800 -0.546 0.000 2.402 178 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.216 178 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.216 178 G C 0.960 175.506 174.900 -0.591 0.000 1.162 178 G CA 0.460 45.288 45.100 -0.453 0.000 0.777 178 G HN 0.769 nan 8.290 nan 0.000 0.539 179 G N -1.022 107.175 108.800 -1.003 0.000 2.485 179 G HA2 0.428 4.388 3.960 -0.000 0.000 0.260 179 G HA3 0.428 4.388 3.960 -0.000 0.000 0.260 179 G C -0.652 174.016 174.900 -0.387 0.000 1.459 179 G CA -0.599 44.081 45.100 -0.700 0.000 1.060 179 G HN 0.118 nan 8.290 nan 0.000 0.546 180 Y N -1.244 119.016 120.300 -0.067 0.000 2.488 180 Y HA 0.646 5.196 4.550 -0.000 0.000 0.325 180 Y C 0.678 176.581 175.900 0.005 0.000 1.204 180 Y CA -1.002 57.004 58.100 -0.156 0.000 1.229 180 Y CB 1.846 39.911 38.460 -0.658 0.000 1.274 180 Y HN 0.323 nan 8.280 nan 0.000 0.493 181 S N 0.126 115.953 115.700 0.210 0.000 2.570 181 S HA 0.758 5.228 4.470 -0.000 0.000 0.286 181 S C -1.395 173.341 174.600 0.228 0.000 1.099 181 S CA -0.815 57.520 58.200 0.226 0.000 0.913 181 S CB 2.011 65.398 63.200 0.311 0.000 1.085 181 S HN 0.290 nan 8.310 nan 0.000 0.480 182 V N 2.676 122.736 119.914 0.242 0.000 2.531 182 V HA 0.528 4.648 4.120 -0.000 0.000 0.301 182 V C -1.271 174.976 176.094 0.254 0.000 1.034 182 V CA -0.623 61.813 62.300 0.227 0.000 0.865 182 V CB 1.256 33.182 31.823 0.172 0.000 0.995 182 V HN 0.833 nan 8.190 nan 0.000 0.424 183 F N 4.104 124.123 119.950 0.114 0.000 2.444 183 F HA 0.805 5.332 4.527 -0.000 0.000 0.342 183 F C 0.210 175.950 175.800 -0.100 0.000 1.121 183 F CA -0.595 57.447 58.000 0.070 0.000 0.997 183 F CB 1.459 40.499 39.000 0.068 0.000 1.130 183 F HN 0.548 nan 8.300 nan 0.000 0.454 184 A N 4.620 127.083 122.820 -0.595 0.000 2.285 184 A HA 0.634 4.954 4.320 -0.000 0.000 0.310 184 A C -0.106 177.105 177.584 -0.622 0.000 1.266 184 A CA -0.358 51.393 52.037 -0.477 0.000 0.832 184 A CB 0.195 19.003 19.000 -0.321 0.000 1.163 184 A HN 1.038 nan 8.150 nan 0.000 0.499 185 G N 1.145 109.538 108.800 -0.678 0.000 2.338 185 G HA2 0.501 4.461 3.960 -0.000 0.000 0.295 185 G HA3 0.501 4.461 3.960 -0.000 0.000 0.295 185 G C -0.604 174.203 174.900 -0.155 0.000 1.132 185 G CA -0.138 44.742 45.100 -0.367 0.000 0.922 185 G HN 0.762 nan 8.290 nan 0.000 0.427 186 V N 2.619 122.489 119.914 -0.073 0.000 2.376 186 V HA 0.594 4.714 4.120 -0.000 0.000 0.287 186 V C 1.031 177.142 176.094 0.027 0.000 1.015 186 V CA 0.208 62.495 62.300 -0.022 0.000 0.834 186 V CB 0.896 32.694 31.823 -0.041 0.000 1.001 186 V HN 1.414 nan 8.190 nan 0.000 0.428 187 G N 3.361 112.187 108.800 0.042 0.000 2.283 187 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.280 187 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.280 187 G C 0.165 175.099 174.900 0.056 0.000 1.029 187 G CA 0.619 45.744 45.100 0.042 0.000 0.840 187 G HN 0.597 nan 8.290 nan 0.000 0.505 188 E N -0.857 119.396 120.200 0.089 0.000 2.639 188 E HA 0.463 4.813 4.350 -0.000 0.000 0.219 188 E C 0.776 177.440 176.600 0.106 0.000 0.800 188 E CA -0.956 55.502 56.400 0.097 0.000 1.002 188 E CB 0.578 30.354 29.700 0.128 0.000 1.621 188 E HN 0.357 nan 8.360 nan 0.000 0.396 189 R N 0.388 120.953 120.500 0.107 0.000 2.298 189 R HA 0.229 4.569 4.340 -0.000 0.000 0.310 189 R C 1.128 177.481 176.300 0.089 0.000 1.068 189 R CA 0.054 56.202 56.100 0.081 0.000 0.957 189 R CB 0.434 30.770 30.300 0.060 0.000 1.003 189 R HN 0.405 nan 8.270 nan 0.000 0.454 190 T N 2.961 117.546 114.554 0.051 0.000 2.684 190 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 190 T C 1.691 176.374 174.700 -0.028 0.000 1.036 190 T CA 1.886 63.988 62.100 0.003 0.000 1.148 190 T CB -0.091 68.772 68.868 -0.008 0.000 0.863 190 T HN 0.596 nan 8.240 nan 0.000 0.436 191 R N 1.879 122.379 120.500 -0.001 0.000 2.189 191 R HA 0.055 4.395 4.340 -0.000 0.000 0.223 191 R C 1.840 178.145 176.300 0.008 0.000 1.092 191 R CA 1.391 57.492 56.100 0.001 0.000 0.989 191 R CB -0.605 29.701 30.300 0.010 0.000 0.876 191 R HN 0.400 nan 8.270 nan 0.000 0.457 192 E N 0.314 120.530 120.200 0.027 0.000 2.204 192 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 192 E C 1.966 178.575 176.600 0.015 0.000 0.989 192 E CA 1.024 57.450 56.400 0.044 0.000 0.824 192 E CB -0.125 29.631 29.700 0.093 0.000 0.756 192 E HN 0.677 nan 8.360 nan 0.000 0.477 193 G N 1.148 109.920 108.800 -0.047 0.000 2.403 193 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 193 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 193 G C 1.387 176.139 174.900 -0.247 0.000 1.154 193 G CA 0.829 45.736 45.100 -0.321 0.000 0.784 193 G HN 0.200 nan 8.290 nan 0.000 0.538 194 N N 0.509 119.140 118.700 -0.115 0.000 2.188 194 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 194 N C 1.633 177.216 175.510 0.122 0.000 1.018 194 N CA 1.463 54.527 53.050 0.024 0.000 0.858 194 N CB -0.014 38.518 38.487 0.074 0.000 0.989 194 N HN 0.107 nan 8.380 nan 0.000 0.426 195 D N 0.241 120.678 120.400 0.062 0.000 2.117 195 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 195 D C 1.897 178.207 176.300 0.018 0.000 0.982 195 D CA 0.556 54.594 54.000 0.062 0.000 0.828 195 D CB -0.442 40.377 40.800 0.031 0.000 0.967 195 D HN 0.253 nan 8.370 nan 0.000 0.464 196 L N 0.319 121.520 121.223 -0.036 0.000 2.017 196 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 196 L C 2.227 179.060 176.870 -0.063 0.000 1.073 196 L CA 1.550 56.332 54.840 -0.096 0.000 0.745 196 L CB -1.126 40.815 42.059 -0.198 0.000 0.894 196 L HN -0.004 nan 8.230 nan 0.000 0.432 197 Y N 0.190 120.359 120.300 -0.219 0.000 2.128 197 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 197 Y C 2.669 178.373 175.900 -0.326 0.000 1.154 197 Y CA 2.373 60.295 58.100 -0.295 0.000 1.149 197 Y CB -0.656 37.556 38.460 -0.414 0.000 0.976 197 Y HN 0.487 nan 8.280 nan 0.000 0.505 198 H N -0.915 118.087 119.070 -0.114 0.000 2.462 198 H HA -0.067 4.489 4.556 -0.000 0.000 0.292 198 H C 2.228 177.466 175.328 -0.150 0.000 1.049 198 H CA 1.259 57.193 56.048 -0.190 0.000 1.334 198 H CB 0.002 29.706 29.762 -0.097 0.000 1.404 198 H HN 0.489 nan 8.280 nan 0.000 0.544 199 E N 0.826 121.011 120.200 -0.025 0.000 2.072 199 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 199 E C 1.811 178.365 176.600 -0.076 0.000 0.985 199 E CA 0.970 57.345 56.400 -0.043 0.000 0.801 199 E CB 0.042 29.715 29.700 -0.045 0.000 0.750 199 E HN 0.460 nan 8.360 nan 0.000 0.452 200 M N 0.182 119.717 119.600 -0.107 0.000 2.296 200 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 200 M C 2.166 178.396 176.300 -0.117 0.000 1.064 200 M CA 0.951 56.191 55.300 -0.099 0.000 1.109 200 M CB -0.045 32.508 32.600 -0.079 0.000 1.396 200 M HN 0.196 nan 8.290 nan 0.000 0.430 201 I N -0.111 120.347 120.570 -0.186 0.000 2.286 201 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 201 I C 2.477 178.537 176.117 -0.094 0.000 1.104 201 I CA 1.099 62.295 61.300 -0.174 0.000 1.397 201 I CB -0.313 37.530 38.000 -0.262 0.000 1.072 201 I HN 0.232 nan 8.210 nan 0.000 0.417 202 E N 1.367 121.523 120.200 -0.074 0.000 2.058 202 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 202 E C 2.140 178.715 176.600 -0.042 0.000 0.997 202 E CA 2.134 58.506 56.400 -0.047 0.000 0.801 202 E CB -0.217 29.462 29.700 -0.035 0.000 0.746 202 E HN 0.448 nan 8.360 nan 0.000 0.450 203 S N -1.557 114.116 115.700 -0.045 0.000 2.562 203 S HA 0.180 4.650 4.470 -0.000 0.000 0.221 203 S C 1.673 176.254 174.600 -0.030 0.000 0.975 203 S CA 0.684 58.863 58.200 -0.036 0.000 0.918 203 S CB -0.084 63.093 63.200 -0.037 0.000 0.772 203 S HN 0.647 nan 8.310 nan 0.000 0.531 204 G N 0.751 109.530 108.800 -0.036 0.000 2.179 204 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.260 204 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.260 204 G C 0.922 175.812 174.900 -0.017 0.000 0.977 204 G CA 0.659 45.743 45.100 -0.027 0.000 0.641 204 G HN 1.454 nan 8.290 nan 0.000 0.533 205 V N -1.681 118.223 119.914 -0.016 0.000 2.759 205 V HA 0.410 4.530 4.120 -0.000 0.000 0.256 205 V C 1.269 177.367 176.094 0.008 0.000 1.080 205 V CA 1.528 63.831 62.300 0.005 0.000 1.101 205 V CB -0.167 31.663 31.823 0.012 0.000 0.698 205 V HN 0.480 nan 8.190 nan 0.000 0.477 206 I N 1.794 122.353 120.570 -0.019 0.000 2.433 206 I HA 0.489 4.659 4.170 -0.000 0.000 0.292 206 I C -0.623 175.471 176.117 -0.038 0.000 1.001 206 I CA -0.304 60.984 61.300 -0.020 0.000 1.119 206 I CB 1.697 39.677 38.000 -0.034 0.000 1.289 206 I HN 0.161 nan 8.210 nan 0.000 0.438 207 N N 6.790 125.480 118.700 -0.016 0.000 2.410 207 N HA 0.370 5.110 4.740 -0.000 0.000 0.287 207 N C -0.212 175.295 175.510 -0.005 0.000 1.044 207 N CA -0.445 52.595 53.050 -0.017 0.000 0.881 207 N CB 2.024 40.508 38.487 -0.006 0.000 1.405 207 N HN 0.543 nan 8.380 nan 0.000 0.490 208 L N 2.415 123.632 121.223 -0.011 0.000 2.611 208 L HA 0.231 4.571 4.340 -0.000 0.000 0.229 208 L C 1.402 178.277 176.870 0.009 0.000 1.137 208 L CA 0.215 55.060 54.840 0.008 0.000 0.901 208 L CB 0.034 42.099 42.059 0.009 0.000 1.098 208 L HN 0.270 nan 8.230 nan 0.000 0.456 209 K N -0.226 120.176 120.400 0.003 0.000 2.474 209 K HA 0.177 4.497 4.320 -0.000 0.000 0.202 209 K C 0.080 176.683 176.600 0.005 0.000 1.248 209 K CA 0.320 56.609 56.287 0.004 0.000 0.946 209 K CB 0.755 33.256 32.500 0.001 0.000 1.102 209 K HN 0.359 nan 8.250 nan 0.000 0.541 210 D N -0.962 119.441 120.400 0.005 0.000 2.758 210 D HA 0.394 5.034 4.640 -0.000 0.000 0.262 210 D C -0.312 175.993 176.300 0.009 0.000 1.113 210 D CA -0.806 53.198 54.000 0.008 0.000 1.114 210 D CB 0.473 41.277 40.800 0.007 0.000 1.363 210 D HN -0.141 nan 8.370 nan 0.000 0.617 211 A N -0.789 122.039 122.820 0.012 0.000 2.713 211 A HA 0.327 4.647 4.320 -0.000 0.000 0.296 211 A C 1.015 178.612 177.584 0.022 0.000 1.255 211 A CA 0.276 52.321 52.037 0.014 0.000 0.955 211 A CB -0.962 18.047 19.000 0.015 0.000 1.149 211 A HN 0.573 nan 8.150 nan 0.000 0.538 212 T N -2.685 111.883 114.554 0.022 0.000 3.129 212 T HA 0.107 4.457 4.350 -0.000 0.000 0.251 212 T C 0.802 175.525 174.700 0.038 0.000 1.117 212 T CA 0.448 62.568 62.100 0.032 0.000 1.034 212 T CB -0.432 68.450 68.868 0.022 0.000 0.968 212 T HN 0.202 nan 8.240 nan 0.000 0.526 213 S N 1.832 117.546 115.700 0.024 0.000 2.561 213 S HA 0.164 4.634 4.470 -0.000 0.000 0.294 213 S C 0.839 175.467 174.600 0.046 0.000 1.294 213 S CA -0.218 57.996 58.200 0.024 0.000 1.055 213 S CB 0.820 64.028 63.200 0.013 0.000 0.819 213 S HN 0.354 nan 8.310 nan 0.000 0.503 214 K N 0.824 121.268 120.400 0.072 0.000 2.402 214 K HA 0.314 4.634 4.320 -0.000 0.000 0.203 214 K C -0.742 175.934 176.600 0.126 0.000 1.077 214 K CA 0.172 56.550 56.287 0.152 0.000 1.051 214 K CB 0.804 33.388 32.500 0.141 0.000 0.907 214 K HN 0.444 nan 8.250 nan 0.000 0.554 215 V N 0.944 120.907 119.914 0.081 0.000 2.680 215 V HA 0.726 4.846 4.120 -0.000 0.000 0.309 215 V C -0.806 175.349 176.094 0.101 0.000 1.052 215 V CA -1.370 60.996 62.300 0.109 0.000 0.908 215 V CB 1.675 33.576 31.823 0.130 0.000 1.001 215 V HN 0.082 nan 8.190 nan 0.000 0.431 216 A N 5.105 128.008 122.820 0.139 0.000 2.318 216 A HA 0.889 5.209 4.320 -0.000 0.000 0.324 216 A C -0.871 176.821 177.584 0.180 0.000 1.170 216 A CA -0.502 51.625 52.037 0.150 0.000 0.810 216 A CB 0.693 19.813 19.000 0.200 0.000 1.198 216 A HN 0.796 nan 8.150 nan 0.000 0.484 217 L N 2.443 123.769 121.223 0.172 0.000 2.325 217 L HA 0.686 5.026 4.340 -0.000 0.000 0.278 217 L C -0.863 176.111 176.870 0.173 0.000 1.023 217 L CA -0.915 54.062 54.840 0.228 0.000 0.811 217 L CB 1.890 44.134 42.059 0.310 0.000 1.249 217 L HN 0.411 nan 8.230 nan 0.000 0.431 218 V N 2.682 122.661 119.914 0.108 0.000 2.525 218 V HA 0.447 4.567 4.120 -0.000 0.000 0.299 218 V C -1.311 174.740 176.094 -0.072 0.000 1.034 218 V CA -0.661 61.666 62.300 0.044 0.000 0.863 218 V CB 1.689 33.502 31.823 -0.018 0.000 0.999 218 V HN 0.445 nan 8.190 nan 0.000 0.423 219 Y N 1.615 121.937 120.300 0.037 0.000 2.442 219 Y HA 0.762 5.312 4.550 -0.000 0.000 0.344 219 Y C 0.544 176.456 175.900 0.020 0.000 0.976 219 Y CA -0.662 57.463 58.100 0.042 0.000 1.040 219 Y CB 2.846 41.326 38.460 0.033 0.000 1.228 219 Y HN 0.712 nan 8.280 nan 0.000 0.451 220 G N 3.808 112.697 108.800 0.149 0.000 3.446 220 G HA2 0.306 4.266 3.960 -0.000 0.000 0.314 220 G HA3 0.306 4.266 3.960 -0.000 0.000 0.314 220 G C -0.974 173.984 174.900 0.097 0.000 1.539 220 G CA -0.565 44.593 45.100 0.095 0.000 0.848 220 G HN 0.326 nan 8.290 nan 0.000 0.488 221 Q N 1.081 120.957 119.800 0.126 0.000 2.189 221 Q HA 0.244 4.584 4.340 -0.000 0.000 0.193 221 Q C 2.053 178.092 176.000 0.065 0.000 1.034 221 Q CA -0.709 55.164 55.803 0.116 0.000 1.062 221 Q CB 0.697 29.523 28.738 0.147 0.000 1.118 221 Q HN 0.725 nan 8.270 nan 0.000 0.569 222 M N -1.010 118.623 119.600 0.055 0.000 2.700 222 M HA -0.061 4.419 4.480 -0.000 0.000 0.249 222 M C 0.613 176.927 176.300 0.023 0.000 1.082 222 M CA 1.609 56.927 55.300 0.031 0.000 1.077 222 M CB -0.815 31.799 32.600 0.024 0.000 1.477 222 M HN 0.520 nan 8.290 nan 0.000 0.529 223 N N -0.556 118.161 118.700 0.027 0.000 2.373 223 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 223 N C -0.124 175.395 175.510 0.015 0.000 1.082 223 N CA -0.318 52.743 53.050 0.018 0.000 0.885 223 N CB 0.161 38.657 38.487 0.016 0.000 0.977 223 N HN 0.310 nan 8.380 nan 0.000 0.462 224 E N 1.866 122.078 120.200 0.020 0.000 2.349 224 E HA 0.254 4.604 4.350 -0.000 0.000 0.265 224 E C -2.251 174.353 176.600 0.006 0.000 1.064 224 E CA -1.942 54.467 56.400 0.015 0.000 0.886 224 E CB 0.859 30.573 29.700 0.023 0.000 1.036 224 E HN 0.180 nan 8.360 nan 0.000 0.413 225 P HA 0.071 nan 4.420 nan 0.000 0.272 225 P C -1.949 175.345 177.300 -0.010 0.000 1.230 225 P CA -1.164 61.934 63.100 -0.004 0.000 0.788 225 P CB -0.067 31.631 31.700 -0.002 0.000 0.949 226 P HA -0.236 nan 4.420 nan 0.000 0.216 226 P C 1.607 178.885 177.300 -0.037 0.000 1.157 226 P CA 2.256 65.335 63.100 -0.036 0.000 0.880 226 P CB -0.750 30.925 31.700 -0.042 0.000 0.791 227 G N 0.065 108.852 108.800 -0.023 0.000 2.440 227 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 227 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 227 G C 1.796 176.694 174.900 -0.003 0.000 1.154 227 G CA 1.284 46.376 45.100 -0.014 0.000 0.767 227 G HN 0.404 nan 8.290 nan 0.000 0.552 228 A N 0.763 123.584 122.820 0.002 0.000 1.855 228 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 228 A C 2.427 180.016 177.584 0.010 0.000 1.191 228 A CA 1.549 53.592 52.037 0.011 0.000 0.613 228 A CB -0.405 18.604 19.000 0.015 0.000 0.829 228 A HN 0.331 nan 8.150 nan 0.000 0.442 229 R N -0.572 119.928 120.500 0.000 0.000 2.152 229 R HA -0.048 4.292 4.340 -0.000 0.000 0.232 229 R C 2.129 178.428 176.300 -0.001 0.000 1.117 229 R CA 0.981 57.080 56.100 -0.000 0.000 0.981 229 R CB -0.344 29.946 30.300 -0.017 0.000 0.870 229 R HN 0.511 nan 8.270 nan 0.000 0.451 230 A N 0.370 123.171 122.820 -0.033 0.000 2.167 230 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 230 A C 1.676 179.297 177.584 0.061 0.000 1.151 230 A CA 0.702 52.692 52.037 -0.078 0.000 0.735 230 A CB 0.163 19.066 19.000 -0.162 0.000 0.802 230 A HN 0.065 nan 8.150 nan 0.000 0.467 231 R N -1.019 119.515 120.500 0.057 0.000 2.419 231 R HA 0.096 4.436 4.340 -0.000 0.000 0.235 231 R C 1.660 177.972 176.300 0.019 0.000 0.899 231 R CA 1.096 57.228 56.100 0.053 0.000 1.048 231 R CB -0.318 30.000 30.300 0.029 0.000 1.182 231 R HN 0.424 nan 8.270 nan 0.000 0.544 232 V N 0.155 120.080 119.914 0.018 0.000 2.469 232 V HA -0.164 3.956 4.120 -0.000 0.000 0.251 232 V C 2.462 178.528 176.094 -0.047 0.000 1.064 232 V CA 2.009 64.302 62.300 -0.012 0.000 1.066 232 V CB -1.151 30.665 31.823 -0.012 0.000 0.667 232 V HN 0.151 nan 8.190 nan 0.000 0.461 233 A N 0.570 123.366 122.820 -0.040 0.000 1.930 233 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 233 A C 2.241 179.744 177.584 -0.135 0.000 1.175 233 A CA 1.665 53.633 52.037 -0.114 0.000 0.627 233 A CB -0.485 18.418 19.000 -0.161 0.000 0.815 233 A HN 0.511 nan 8.150 nan 0.000 0.443 234 L N -0.599 120.557 121.223 -0.113 0.000 2.046 234 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 234 L C 2.742 179.537 176.870 -0.124 0.000 1.077 234 L CA 1.954 56.705 54.840 -0.148 0.000 0.747 234 L CB -1.482 40.455 42.059 -0.203 0.000 0.896 234 L HN 0.354 nan 8.230 nan 0.000 0.432 235 T N -0.003 114.494 114.554 -0.094 0.000 2.684 235 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 235 T C 1.870 176.530 174.700 -0.067 0.000 1.036 235 T CA 1.459 63.518 62.100 -0.069 0.000 1.148 235 T CB -0.597 68.246 68.868 -0.042 0.000 0.863 235 T HN 0.553 nan 8.240 nan 0.000 0.436 236 G N 2.324 111.077 108.800 -0.078 0.000 2.433 236 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 236 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 236 G C 1.560 176.420 174.900 -0.068 0.000 1.186 236 G CA 1.228 46.284 45.100 -0.074 0.000 0.779 236 G HN 0.577 nan 8.290 nan 0.000 0.543 237 L N -0.623 120.543 121.223 -0.096 0.000 2.275 237 L HA 0.162 4.502 4.340 -0.000 0.000 0.215 237 L C 2.325 179.156 176.870 -0.065 0.000 1.119 237 L CA 2.388 57.174 54.840 -0.089 0.000 0.790 237 L CB -1.286 40.698 42.059 -0.125 0.000 0.919 237 L HN 0.015 nan 8.230 nan 0.000 0.443 238 T N -0.391 114.120 114.554 -0.070 0.000 2.857 238 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 238 T C 1.982 176.644 174.700 -0.063 0.000 1.048 238 T CA 1.511 63.575 62.100 -0.060 0.000 1.139 238 T CB -0.270 68.560 68.868 -0.063 0.000 0.874 238 T HN 0.235 nan 8.240 nan 0.000 0.455 239 V N 1.614 121.484 119.914 -0.073 0.000 2.427 239 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 239 V C 2.799 178.840 176.094 -0.088 0.000 1.051 239 V CA 1.624 63.850 62.300 -0.124 0.000 1.048 239 V CB -0.989 30.799 31.823 -0.058 0.000 0.666 239 V HN 0.506 nan 8.190 nan 0.000 0.456 240 A N -0.666 122.178 122.820 0.040 0.000 2.014 240 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 240 A C 2.151 179.792 177.584 0.094 0.000 1.163 240 A CA 1.369 53.495 52.037 0.148 0.000 0.652 240 A CB -0.357 18.695 19.000 0.087 0.000 0.808 240 A HN 0.592 nan 8.150 nan 0.000 0.449 241 E N -1.513 118.699 120.200 0.020 0.000 2.110 241 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 241 E C 1.753 178.352 176.600 -0.001 0.000 0.988 241 E CA 1.404 57.807 56.400 0.005 0.000 0.804 241 E CB -0.291 29.402 29.700 -0.012 0.000 0.745 241 E HN 0.801 nan 8.360 nan 0.000 0.458 242 Y N 0.420 120.622 120.300 -0.162 0.000 2.114 242 Y HA -0.280 4.270 4.550 -0.000 0.000 0.284 242 Y C 1.836 177.658 175.900 -0.131 0.000 1.143 242 Y CA 1.687 59.652 58.100 -0.225 0.000 1.135 242 Y CB -0.305 37.896 38.460 -0.433 0.000 0.980 242 Y HN -0.045 nan 8.280 nan 0.000 0.499 243 F N 0.445 120.519 119.950 0.207 0.000 2.216 243 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 243 F C 2.700 178.516 175.800 0.025 0.000 1.085 243 F CA 1.675 59.772 58.000 0.162 0.000 1.326 243 F CB -0.927 38.242 39.000 0.281 0.000 1.027 243 F HN 0.041 nan 8.300 nan 0.000 0.497 244 R N 0.396 120.994 120.500 0.162 0.000 2.073 244 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 244 R C 1.523 177.819 176.300 -0.006 0.000 1.134 244 R CA 2.147 58.287 56.100 0.068 0.000 0.952 244 R CB -0.242 30.078 30.300 0.034 0.000 0.850 244 R HN 0.202 nan 8.270 nan 0.000 0.433 245 D N -0.128 120.227 120.400 -0.074 0.000 2.527 245 D HA -0.054 4.586 4.640 -0.000 0.000 0.249 245 D C 1.369 177.560 176.300 -0.181 0.000 1.029 245 D CA 0.436 54.371 54.000 -0.108 0.000 0.951 245 D CB -0.527 40.208 40.800 -0.107 0.000 1.093 245 D HN 0.074 nan 8.370 nan 0.000 0.464 246 Q N 0.768 120.344 119.800 -0.373 0.000 2.594 246 Q HA -0.034 4.306 4.340 -0.000 0.000 0.215 246 Q C 0.266 176.032 176.000 -0.390 0.000 0.962 246 Q CA 0.756 56.238 55.803 -0.535 0.000 1.003 246 Q CB -0.088 27.941 28.738 -1.182 0.000 1.000 246 Q HN 0.554 nan 8.270 nan 0.000 0.571 247 E N -2.079 118.019 120.200 -0.169 0.000 2.461 247 E HA 0.095 4.445 4.350 -0.000 0.000 0.185 247 E C 0.101 176.696 176.600 -0.008 0.000 0.942 247 E CA 0.223 56.611 56.400 -0.020 0.000 1.434 247 E CB 0.668 30.445 29.700 0.130 0.000 1.899 247 E HN 0.326 nan 8.360 nan 0.000 0.862 248 G N 2.903 111.687 108.800 -0.027 0.000 2.325 248 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.274 248 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.274 248 G C -0.163 174.731 174.900 -0.011 0.000 0.921 248 G CA 1.478 46.566 45.100 -0.020 0.000 1.340 248 G HN 0.176 nan 8.290 nan 0.000 0.447 249 Q N -0.308 119.494 119.800 0.004 0.000 2.975 249 Q HA 0.518 4.858 4.340 -0.000 0.000 0.352 249 Q C -1.217 174.793 176.000 0.018 0.000 0.817 249 Q CA -1.136 54.660 55.803 -0.011 0.000 0.830 249 Q CB 1.054 29.761 28.738 -0.051 0.000 1.346 249 Q HN 0.254 nan 8.270 nan 0.000 0.505 250 D N 1.026 121.439 120.400 0.022 0.000 2.233 250 D HA 0.468 5.108 4.640 -0.000 0.000 0.240 250 D C -1.072 175.343 176.300 0.190 0.000 1.074 250 D CA -0.147 53.915 54.000 0.103 0.000 0.838 250 D CB 1.877 42.782 40.800 0.174 0.000 1.124 250 D HN 0.108 nan 8.370 nan 0.000 0.475 251 V N 2.417 122.400 119.914 0.116 0.000 2.680 251 V HA 0.441 4.561 4.120 -0.000 0.000 0.309 251 V C 0.044 176.103 176.094 -0.060 0.000 1.052 251 V CA -0.898 61.464 62.300 0.104 0.000 0.908 251 V CB 2.147 34.059 31.823 0.148 0.000 1.001 251 V HN 0.336 nan 8.190 nan 0.000 0.431 252 L N 4.642 125.800 121.223 -0.109 0.000 2.307 252 L HA 0.643 4.983 4.340 -0.000 0.000 0.284 252 L C -0.889 175.834 176.870 -0.246 0.000 1.023 252 L CA -0.610 54.057 54.840 -0.288 0.000 0.810 252 L CB 1.673 43.557 42.059 -0.292 0.000 1.231 252 L HN 0.462 nan 8.230 nan 0.000 0.423 253 L N 3.655 124.616 121.223 -0.436 0.000 2.343 253 L HA 0.595 4.935 4.340 -0.000 0.000 0.278 253 L C -1.380 175.176 176.870 -0.523 0.000 0.996 253 L CA 0.136 54.789 54.840 -0.312 0.000 0.831 253 L CB 1.184 43.125 42.059 -0.198 0.000 1.232 253 L HN 0.212 nan 8.230 nan 0.000 0.413 254 F N 5.849 125.711 119.950 -0.148 0.000 2.458 254 F HA 0.662 5.189 4.527 -0.000 0.000 0.336 254 F C -0.061 175.406 175.800 -0.555 0.000 1.114 254 F CA -0.509 57.343 58.000 -0.247 0.000 0.987 254 F CB 1.670 40.635 39.000 -0.059 0.000 1.130 254 F HN 0.223 nan 8.300 nan 0.000 0.458 255 I N 2.726 123.102 120.570 -0.323 0.000 2.500 255 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 255 I C -1.501 174.434 176.117 -0.303 0.000 1.063 255 I CA -0.531 60.516 61.300 -0.423 0.000 1.062 255 I CB 2.044 39.873 38.000 -0.286 0.000 1.223 255 I HN 0.410 nan 8.210 nan 0.000 0.435 256 D N 6.371 126.569 120.400 -0.336 0.000 2.469 256 D HA 0.291 4.931 4.640 -0.000 0.000 0.251 256 D C -1.274 175.004 176.300 -0.036 0.000 1.173 256 D CA -0.168 53.784 54.000 -0.079 0.000 0.882 256 D CB 1.223 42.076 40.800 0.088 0.000 1.129 256 D HN 0.430 nan 8.370 nan 0.000 0.549 257 N N 4.428 123.128 118.700 -0.001 0.000 2.371 257 N HA 0.138 4.878 4.740 -0.000 0.000 0.291 257 N C 0.561 176.093 175.510 0.037 0.000 1.053 257 N CA -0.485 52.584 53.050 0.032 0.000 0.870 257 N CB 1.602 40.161 38.487 0.120 0.000 1.503 257 N HN 0.292 nan 8.380 nan 0.000 0.485 258 I N 4.272 124.833 120.570 -0.016 0.000 2.567 258 I HA -0.103 4.067 4.170 -0.000 0.000 0.257 258 I C 1.708 177.877 176.117 0.086 0.000 1.184 258 I CA 0.827 62.109 61.300 -0.030 0.000 1.451 258 I CB -0.543 37.369 38.000 -0.147 0.000 1.089 258 I HN 0.628 nan 8.210 nan 0.000 0.441 259 F N 1.812 121.772 119.950 0.016 0.000 2.091 259 F HA -0.276 4.251 4.527 -0.000 0.000 0.299 259 F C 2.359 178.235 175.800 0.127 0.000 1.103 259 F CA 1.685 59.740 58.000 0.092 0.000 1.228 259 F CB -0.470 38.625 39.000 0.159 0.000 0.984 259 F HN -0.005 nan 8.300 nan 0.000 0.477 260 R N 0.035 120.514 120.500 -0.036 0.000 2.211 260 R HA -0.239 4.101 4.340 -0.000 0.000 0.240 260 R C 2.163 178.377 176.300 -0.143 0.000 1.144 260 R CA 1.535 57.542 56.100 -0.154 0.000 0.992 260 R CB -1.773 28.534 30.300 0.011 0.000 0.869 260 R HN 0.529 nan 8.270 nan 0.000 0.462 261 F N 1.568 121.395 119.950 -0.205 0.000 2.113 261 F HA -0.155 4.372 4.527 -0.000 0.000 0.297 261 F C 2.033 177.724 175.800 -0.181 0.000 1.103 261 F CA 1.648 59.551 58.000 -0.161 0.000 1.248 261 F CB -0.384 38.535 39.000 -0.135 0.000 0.999 261 F HN -0.149 nan 8.300 nan 0.000 0.475 262 T N 0.289 114.723 114.554 -0.201 0.000 2.821 262 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 262 T C 1.862 176.389 174.700 -0.288 0.000 1.046 262 T CA 1.501 63.430 62.100 -0.285 0.000 1.139 262 T CB -0.347 68.448 68.868 -0.121 0.000 0.871 262 T HN 0.494 nan 8.240 nan 0.000 0.454 263 Q N 0.813 120.336 119.800 -0.461 0.000 2.046 263 Q HA -0.049 4.291 4.340 -0.000 0.000 0.200 263 Q C 2.494 178.375 176.000 -0.198 0.000 0.975 263 Q CA 1.410 57.017 55.803 -0.327 0.000 0.836 263 Q CB -0.318 28.121 28.738 -0.498 0.000 0.896 263 Q HN 0.497 nan 8.270 nan 0.000 0.428 264 A N 0.632 123.317 122.820 -0.224 0.000 1.908 264 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 264 A C 2.284 179.762 177.584 -0.177 0.000 1.181 264 A CA 1.674 53.610 52.037 -0.168 0.000 0.627 264 A CB -1.354 17.552 19.000 -0.157 0.000 0.818 264 A HN 0.621 nan 8.150 nan 0.000 0.445 265 G N -1.154 107.486 108.800 -0.267 0.000 2.422 265 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 265 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 265 G C 1.855 176.682 174.900 -0.121 0.000 1.140 265 G CA 1.384 46.337 45.100 -0.244 0.000 0.775 265 G HN 0.569 nan 8.290 nan 0.000 0.545 266 S N 0.046 115.698 115.700 -0.080 0.000 2.402 266 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 266 S C 2.192 176.766 174.600 -0.044 0.000 1.021 266 S CA 1.690 59.880 58.200 -0.017 0.000 0.974 266 S CB -0.207 63.000 63.200 0.012 0.000 0.800 266 S HN 0.591 nan 8.310 nan 0.000 0.484 267 E N 0.229 120.393 120.200 -0.061 0.000 2.072 267 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 267 E C 2.237 178.813 176.600 -0.041 0.000 0.982 267 E CA 1.508 57.878 56.400 -0.049 0.000 0.803 267 E CB -0.166 29.504 29.700 -0.051 0.000 0.755 267 E HN 0.619 nan 8.360 nan 0.000 0.453 268 V N -1.427 118.458 119.914 -0.048 0.000 2.488 268 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 268 V C 2.251 178.328 176.094 -0.028 0.000 1.046 268 V CA 1.710 63.989 62.300 -0.036 0.000 1.053 268 V CB -0.105 31.694 31.823 -0.040 0.000 0.679 268 V HN 0.119 nan 8.190 nan 0.000 0.458 269 S N 1.263 116.944 115.700 -0.031 0.000 2.387 269 S HA -0.174 4.296 4.470 -0.000 0.000 0.230 269 S C 2.105 176.698 174.600 -0.010 0.000 1.035 269 S CA 1.880 60.070 58.200 -0.017 0.000 1.014 269 S CB -0.736 62.459 63.200 -0.008 0.000 0.836 269 S HN 1.061 nan 8.310 nan 0.000 0.466 270 A N 0.224 123.035 122.820 -0.015 0.000 2.178 270 A HA 0.120 4.440 4.320 -0.000 0.000 0.218 270 A C 1.778 179.356 177.584 -0.010 0.000 1.157 270 A CA 1.111 53.140 52.037 -0.013 0.000 0.689 270 A CB -0.373 18.615 19.000 -0.020 0.000 0.787 270 A HN 0.611 nan 8.150 nan 0.000 0.465 271 L N -1.787 119.429 121.223 -0.010 0.000 2.858 271 L HA 0.280 4.620 4.340 -0.000 0.000 0.251 271 L C 1.316 178.184 176.870 -0.003 0.000 1.149 271 L CA -0.054 54.782 54.840 -0.007 0.000 0.955 271 L CB 0.268 42.322 42.059 -0.009 0.000 1.289 271 L HN 0.226 nan 8.230 nan 0.000 0.542 272 L N 0.012 121.233 121.223 -0.003 0.000 2.592 272 L HA 0.262 4.602 4.340 -0.000 0.000 0.227 272 L C 1.442 178.315 176.870 0.005 0.000 1.127 272 L CA 0.695 55.536 54.840 0.001 0.000 0.884 272 L CB 0.060 42.118 42.059 -0.000 0.000 1.065 272 L HN 0.459 nan 8.230 nan 0.000 0.457 273 G N 0.179 108.981 108.800 0.004 0.000 2.175 273 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 273 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 273 G C 0.275 175.179 174.900 0.007 0.000 0.982 273 G CA -0.339 44.764 45.100 0.006 0.000 0.641 273 G HN 0.252 nan 8.290 nan 0.000 0.527 274 R N 0.214 120.719 120.500 0.008 0.000 2.590 274 R HA 0.545 4.886 4.340 -0.000 0.000 0.274 274 R C 1.070 177.378 176.300 0.013 0.000 1.061 274 R CA -0.120 55.986 56.100 0.011 0.000 1.081 274 R CB 0.314 30.622 30.300 0.013 0.000 0.984 274 R HN 0.374 nan 8.270 nan 0.000 0.448 275 I N 5.825 126.403 120.570 0.015 0.000 2.533 275 I HA 0.122 4.292 4.170 -0.000 0.000 0.284 275 I C -1.548 174.583 176.117 0.023 0.000 1.109 275 I CA -1.771 59.539 61.300 0.016 0.000 1.412 275 I CB 0.621 38.631 38.000 0.017 0.000 1.396 275 I HN 0.383 nan 8.210 nan 0.000 0.543 276 P HA 0.032 nan 4.420 nan 0.000 0.268 276 P C -0.340 176.986 177.300 0.045 0.000 1.208 276 P CA -0.087 63.032 63.100 0.032 0.000 0.777 276 P CB 1.026 32.737 31.700 0.019 0.000 0.875 277 S N 0.702 116.444 115.700 0.069 0.000 2.667 277 S HA 0.660 5.130 4.470 -0.000 0.000 0.292 277 S C -0.237 174.423 174.600 0.099 0.000 1.108 277 S CA -0.454 57.796 58.200 0.083 0.000 0.992 277 S CB 0.361 63.620 63.200 0.098 0.000 1.269 277 S HN 0.580 nan 8.310 nan 0.000 0.528 278 A N 0.442 123.332 122.820 0.117 0.000 2.531 278 A HA 0.403 4.723 4.320 -0.000 0.000 0.236 278 A C 0.974 178.657 177.584 0.166 0.000 1.062 278 A CA 0.434 52.545 52.037 0.123 0.000 0.760 278 A CB -0.858 18.215 19.000 0.122 0.000 0.995 278 A HN 1.662 nan 8.150 nan 0.000 0.501 279 V N 1.150 121.123 119.914 0.098 0.000 3.525 279 V HA -0.311 3.809 4.120 -0.000 0.000 0.200 279 V C 1.773 177.819 176.094 -0.079 0.000 0.451 279 V CA 1.601 63.928 62.300 0.045 0.000 1.037 279 V CB -2.541 29.354 31.823 0.121 0.000 1.164 279 V HN 2.928 nan 8.190 nan 0.000 1.195 280 G N -2.709 106.072 108.800 -0.031 0.000 2.184 280 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.264 280 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.264 280 G C -0.122 174.729 174.900 -0.081 0.000 0.975 280 G CA 0.435 45.491 45.100 -0.073 0.000 0.642 280 G HN 0.903 nan 8.290 nan 0.000 0.536 281 Y N 1.789 122.108 120.300 0.033 0.000 2.357 281 Y HA 0.381 4.931 4.550 -0.000 0.000 0.340 281 Y C 1.452 177.358 175.900 0.010 0.000 1.260 281 Y CA -0.084 58.030 58.100 0.023 0.000 1.425 281 Y CB 0.488 38.972 38.460 0.041 0.000 1.326 281 Y HN 0.426 nan 8.280 nan 0.000 0.580 282 Q N 3.622 123.542 119.800 0.200 0.000 2.349 282 Q HA 0.015 4.355 4.340 -0.000 0.000 0.287 282 Q C -2.276 173.778 176.000 0.091 0.000 1.044 282 Q CA -1.382 54.480 55.803 0.097 0.000 0.918 282 Q CB 0.639 29.408 28.738 0.051 0.000 1.242 282 Q HN 0.397 nan 8.270 nan 0.000 0.405 283 P HA -0.095 nan 4.420 nan 0.000 0.223 283 P C 0.962 178.287 177.300 0.042 0.000 1.151 283 P CA 1.450 64.581 63.100 0.052 0.000 0.787 283 P CB -0.077 31.647 31.700 0.039 0.000 0.788 284 T N -3.877 110.698 114.554 0.035 0.000 3.188 284 T HA 0.131 4.481 4.350 -0.000 0.000 0.250 284 T C 1.573 176.293 174.700 0.033 0.000 1.077 284 T CA -0.289 61.829 62.100 0.031 0.000 0.967 284 T CB -1.052 67.830 68.868 0.022 0.000 1.006 284 T HN -0.059 nan 8.240 nan 0.000 0.552 285 L N 1.274 122.513 121.223 0.027 0.000 1.991 285 L HA -0.191 4.149 4.340 -0.000 0.000 0.221 285 L C 2.853 179.746 176.870 0.039 0.000 1.079 285 L CA 2.266 57.109 54.840 0.005 0.000 0.778 285 L CB -0.786 41.241 42.059 -0.052 0.000 0.893 285 L HN 0.400 nan 8.230 nan 0.000 0.437 286 A N -1.103 121.746 122.820 0.049 0.000 1.902 286 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 286 A C 2.320 179.963 177.584 0.100 0.000 1.181 286 A CA 2.298 54.385 52.037 0.083 0.000 0.623 286 A CB -1.177 17.868 19.000 0.074 0.000 0.818 286 A HN 0.670 nan 8.150 nan 0.000 0.443 287 T N -2.646 111.955 114.554 0.079 0.000 2.942 287 T HA -0.087 4.263 4.350 -0.000 0.000 0.265 287 T C 1.345 176.102 174.700 0.095 0.000 1.062 287 T CA 1.241 63.389 62.100 0.079 0.000 1.139 287 T CB -0.381 68.522 68.868 0.058 0.000 0.883 287 T HN 0.317 nan 8.240 nan 0.000 0.468 288 D N 1.150 121.613 120.400 0.106 0.000 2.104 288 D HA -0.080 4.560 4.640 -0.000 0.000 0.194 288 D C 1.971 178.431 176.300 0.267 0.000 0.994 288 D CA 1.192 55.295 54.000 0.171 0.000 0.830 288 D CB -0.411 40.454 40.800 0.107 0.000 0.959 288 D HN 0.384 nan 8.370 nan 0.000 0.452 289 M N 0.423 120.154 119.600 0.218 0.000 2.117 289 M HA -0.085 4.395 4.480 -0.000 0.000 0.262 289 M C 2.053 178.279 176.300 -0.122 0.000 1.065 289 M CA 1.961 57.298 55.300 0.061 0.000 1.114 289 M CB -0.239 32.380 32.600 0.031 0.000 1.361 289 M HN 0.021 nan 8.290 nan 0.000 0.408 290 G N -0.243 108.570 108.800 0.023 0.000 2.459 290 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 290 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 290 G C 1.394 176.312 174.900 0.029 0.000 1.183 290 G CA 1.671 46.824 45.100 0.088 0.000 0.776 290 G HN 0.605 nan 8.290 nan 0.000 0.552 291 T N -1.719 112.857 114.554 0.038 0.000 3.007 291 T HA -0.002 4.348 4.350 -0.000 0.000 0.270 291 T C 2.106 176.792 174.700 -0.023 0.000 1.107 291 T CA 1.517 63.634 62.100 0.029 0.000 1.118 291 T CB -0.051 68.853 68.868 0.061 0.000 0.889 291 T HN 0.199 nan 8.240 nan 0.000 0.506 292 M N 0.148 119.688 119.600 -0.099 0.000 2.398 292 M HA 0.079 4.559 4.480 -0.000 0.000 0.261 292 M C 2.197 178.340 176.300 -0.261 0.000 1.125 292 M CA 1.141 56.305 55.300 -0.227 0.000 1.183 292 M CB -0.486 31.831 32.600 -0.471 0.000 1.322 292 M HN 0.098 nan 8.290 nan 0.000 0.467 293 Q N 0.937 120.541 119.800 -0.326 0.000 2.096 293 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 293 Q C 1.702 177.628 176.000 -0.123 0.000 0.982 293 Q CA 1.383 57.001 55.803 -0.308 0.000 0.850 293 Q CB -0.547 27.833 28.738 -0.597 0.000 0.901 293 Q HN 0.567 nan 8.270 nan 0.000 0.422 294 E N 0.276 120.449 120.200 -0.045 0.000 2.463 294 E HA -0.129 4.221 4.350 -0.000 0.000 0.201 294 E C 1.702 178.292 176.600 -0.018 0.000 1.045 294 E CA 0.464 56.872 56.400 0.014 0.000 0.872 294 E CB -0.002 29.726 29.700 0.048 0.000 0.797 294 E HN 0.312 nan 8.360 nan 0.000 0.538 295 R N -0.073 120.394 120.500 -0.055 0.000 2.189 295 R HA 0.188 4.528 4.340 -0.000 0.000 0.203 295 R C 0.983 177.241 176.300 -0.070 0.000 1.012 295 R CA 0.072 56.139 56.100 -0.056 0.000 1.015 295 R CB 0.297 30.558 30.300 -0.066 0.000 0.938 295 R HN 0.054 nan 8.270 nan 0.000 0.472 296 I N 1.928 122.440 120.570 -0.096 0.000 2.352 296 I HA 0.023 4.193 4.170 -0.000 0.000 0.303 296 I C 0.016 176.086 176.117 -0.079 0.000 1.194 296 I CA 0.392 61.629 61.300 -0.106 0.000 1.518 296 I CB 0.215 38.126 38.000 -0.148 0.000 1.489 296 I HN -0.043 nan 8.210 nan 0.000 0.702 297 T N 2.574 117.091 114.554 -0.062 0.000 2.830 297 T HA 0.255 4.605 4.350 -0.000 0.000 0.322 297 T C -0.381 174.293 174.700 -0.044 0.000 1.501 297 T CA -0.386 61.684 62.100 -0.049 0.000 1.036 297 T CB 1.682 70.532 68.868 -0.031 0.000 1.379 297 T HN 0.246 nan 8.240 nan 0.000 0.493 298 T N 3.256 117.784 114.554 -0.043 0.000 2.884 298 T HA 0.588 4.938 4.350 -0.000 0.000 0.298 298 T C 0.452 175.129 174.700 -0.038 0.000 0.998 298 T CA -0.140 61.937 62.100 -0.038 0.000 1.124 298 T CB 0.707 69.552 68.868 -0.039 0.000 0.931 298 T HN 0.869 nan 8.240 nan 0.000 0.531 299 T N 0.029 114.562 114.554 -0.036 0.000 2.773 299 T HA 0.475 4.825 4.350 -0.000 0.000 0.278 299 T C 0.924 175.599 174.700 -0.041 0.000 1.011 299 T CA -1.062 61.014 62.100 -0.041 0.000 1.014 299 T CB 1.388 70.235 68.868 -0.035 0.000 1.293 299 T HN 0.384 nan 8.240 nan 0.000 0.554 300 K N -0.148 120.224 120.400 -0.046 0.000 2.365 300 K HA 0.076 4.396 4.320 -0.000 0.000 0.199 300 K C 2.020 178.600 176.600 -0.033 0.000 1.045 300 K CA 0.590 56.851 56.287 -0.042 0.000 0.962 300 K CB -0.014 32.458 32.500 -0.048 0.000 0.759 300 K HN 0.462 nan 8.250 nan 0.000 0.469 301 K N 0.115 120.496 120.400 -0.032 0.000 2.243 301 K HA 0.004 4.324 4.320 -0.000 0.000 0.201 301 K C 0.495 177.080 176.600 -0.026 0.000 1.051 301 K CA 0.605 56.874 56.287 -0.030 0.000 0.970 301 K CB 0.518 32.998 32.500 -0.033 0.000 0.755 301 K HN 0.205 nan 8.250 nan 0.000 0.465 302 G N -0.498 108.289 108.800 -0.022 0.000 2.466 302 G HA2 0.233 4.193 3.960 -0.000 0.000 0.291 302 G HA3 0.233 4.193 3.960 -0.000 0.000 0.291 302 G C -1.619 173.274 174.900 -0.011 0.000 1.460 302 G CA -0.643 44.450 45.100 -0.012 0.000 0.791 302 G HN 0.055 nan 8.290 nan 0.000 0.505 303 S N -0.766 114.933 115.700 -0.002 0.000 2.532 303 S HA 0.831 5.301 4.470 -0.000 0.000 0.301 303 S C -0.563 174.031 174.600 -0.010 0.000 1.083 303 S CA -0.743 57.451 58.200 -0.011 0.000 1.025 303 S CB 1.527 64.720 63.200 -0.011 0.000 1.056 303 S HN 0.664 nan 8.310 nan 0.000 0.494 304 I N 2.509 123.057 120.570 -0.036 0.000 2.410 304 I HA 0.280 4.450 4.170 -0.000 0.000 0.286 304 I C -0.481 175.569 176.117 -0.111 0.000 1.009 304 I CA -0.510 60.752 61.300 -0.064 0.000 1.111 304 I CB 2.249 40.210 38.000 -0.064 0.000 1.262 304 I HN 0.632 nan 8.210 nan 0.000 0.443 305 T N 4.417 118.874 114.554 -0.163 0.000 2.762 305 T HA 0.296 4.646 4.350 -0.000 0.000 0.303 305 T C 0.125 174.632 174.700 -0.323 0.000 0.977 305 T CA -0.559 61.415 62.100 -0.211 0.000 0.961 305 T CB 0.554 69.296 68.868 -0.210 0.000 0.944 305 T HN 0.670 nan 8.240 nan 0.000 0.481 306 S N 2.199 117.724 115.700 -0.292 0.000 2.509 306 S HA 0.739 5.209 4.470 -0.000 0.000 0.297 306 S C -0.466 173.919 174.600 -0.358 0.000 1.118 306 S CA -0.806 57.186 58.200 -0.346 0.000 1.074 306 S CB 1.446 64.498 63.200 -0.247 0.000 1.038 306 S HN 0.364 nan 8.310 nan 0.000 0.498 307 V N 3.253 122.928 119.914 -0.398 0.000 2.380 307 V HA 0.404 4.524 4.120 -0.000 0.000 0.286 307 V C -0.711 175.290 176.094 -0.155 0.000 1.015 307 V CA -0.520 61.633 62.300 -0.245 0.000 0.834 307 V CB 1.078 32.846 31.823 -0.090 0.000 1.009 307 V HN 0.964 nan 8.190 nan 0.000 0.428 308 Q N 3.366 123.065 119.800 -0.168 0.000 2.348 308 Q HA 0.735 5.075 4.340 -0.000 0.000 0.265 308 Q C -0.085 175.822 176.000 -0.155 0.000 0.998 308 Q CA -0.517 55.184 55.803 -0.170 0.000 0.831 308 Q CB 2.518 31.130 28.738 -0.211 0.000 1.251 308 Q HN 0.839 nan 8.270 nan 0.000 0.456 309 A N 3.866 126.628 122.820 -0.097 0.000 2.409 309 A HA 0.484 4.804 4.320 -0.000 0.000 0.262 309 A C -0.334 177.185 177.584 -0.109 0.000 1.113 309 A CA -0.174 51.824 52.037 -0.065 0.000 0.790 309 A CB 0.033 19.047 19.000 0.023 0.000 1.046 309 A HN 0.766 nan 8.150 nan 0.000 0.496 310 I N 2.948 123.400 120.570 -0.197 0.000 2.439 310 I HA 0.177 4.347 4.170 -0.000 0.000 0.283 310 I C -0.614 175.433 176.117 -0.117 0.000 1.023 310 I CA -0.490 60.658 61.300 -0.253 0.000 1.100 310 I CB 1.189 38.710 38.000 -0.799 0.000 1.238 310 I HN 0.744 nan 8.210 nan 0.000 0.445 311 Y N 7.107 127.331 120.300 -0.126 0.000 2.397 311 Y HA 0.389 4.939 4.550 0.000 0.000 0.335 311 Y C -0.317 175.350 175.900 -0.388 0.000 1.213 311 Y CA -0.072 57.870 58.100 -0.263 0.000 1.391 311 Y CB 0.956 39.198 38.460 -0.362 0.000 1.293 311 Y HN 0.265 nan 8.280 nan 0.000 0.557 312 V N 8.258 127.531 119.914 -1.069 0.000 2.305 312 V HA 0.278 4.398 4.120 -0.000 0.000 0.275 312 V C -2.332 173.203 176.094 -0.932 0.000 1.020 312 V CA -2.140 59.734 62.300 -0.710 0.000 0.811 312 V CB 0.880 32.537 31.823 -0.277 0.000 1.031 312 V HN 0.728 nan 8.190 nan 0.000 0.439 313 P HA 0.019 nan 4.420 nan 0.000 0.260 313 P C 0.815 178.026 177.300 -0.149 0.000 1.172 313 P CA 1.089 64.024 63.100 -0.275 0.000 0.760 313 P CB 0.504 32.227 31.700 0.040 0.000 0.773 314 A N 4.177 126.954 122.820 -0.073 0.000 2.790 314 A HA -0.277 4.043 4.320 -0.000 0.000 0.277 314 A C 0.898 178.450 177.584 -0.054 0.000 1.435 314 A CA 1.375 53.397 52.037 -0.025 0.000 0.877 314 A CB -2.461 16.547 19.000 0.013 0.000 1.007 314 A HN 0.615 nan 8.150 nan 0.000 0.613 315 D N -2.021 118.305 120.400 -0.122 0.000 3.041 315 D HA -0.165 4.475 4.640 -0.000 0.000 0.220 315 D C -0.288 175.983 176.300 -0.047 0.000 1.157 315 D CA 2.037 55.985 54.000 -0.088 0.000 0.876 315 D CB -1.341 39.433 40.800 -0.042 0.000 1.107 315 D HN 0.948 nan 8.370 nan 0.000 0.422 316 D N 0.205 120.580 120.400 -0.041 0.000 2.443 316 D HA 0.277 4.917 4.640 -0.000 0.000 0.221 316 D C 1.330 177.650 176.300 0.033 0.000 1.097 316 D CA -0.452 53.550 54.000 0.004 0.000 0.865 316 D CB 0.332 41.146 40.800 0.023 0.000 1.034 316 D HN 0.085 nan 8.370 nan 0.000 0.511 317 L N 2.529 123.782 121.223 0.049 0.000 2.456 317 L HA -0.052 4.288 4.340 -0.000 0.000 0.224 317 L C 2.150 179.103 176.870 0.138 0.000 1.148 317 L CA 1.208 56.118 54.840 0.117 0.000 0.825 317 L CB -0.310 41.814 42.059 0.108 0.000 0.937 317 L HN 0.500 nan 8.230 nan 0.000 0.450 318 T N -4.970 109.634 114.554 0.083 0.000 3.107 318 T HA -0.041 4.309 4.350 -0.000 0.000 0.249 318 T C 0.760 175.526 174.700 0.110 0.000 1.096 318 T CA -0.434 61.714 62.100 0.080 0.000 1.012 318 T CB -0.265 68.628 68.868 0.042 0.000 0.977 318 T HN 0.163 nan 8.240 nan 0.000 0.527 319 D N 2.755 123.231 120.400 0.127 0.000 2.493 319 D HA 0.035 4.675 4.640 -0.000 0.000 0.240 319 D C -1.436 174.960 176.300 0.160 0.000 1.142 319 D CA -1.448 52.656 54.000 0.173 0.000 0.872 319 D CB 1.588 42.500 40.800 0.187 0.000 1.173 319 D HN 0.033 nan 8.370 nan 0.000 0.467 320 P HA -0.203 nan 4.420 nan 0.000 0.217 320 P C 0.896 178.152 177.300 -0.072 0.000 1.151 320 P CA 1.879 64.982 63.100 0.004 0.000 0.849 320 P CB 0.109 31.769 31.700 -0.067 0.000 0.787 321 A N 0.230 122.976 122.820 -0.123 0.000 1.834 321 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 321 A C -0.005 177.661 177.584 0.136 0.000 1.203 321 A CA 2.526 54.561 52.037 -0.004 0.000 0.621 321 A CB -2.311 16.849 19.000 0.267 0.000 0.841 321 A HN 0.205 nan 8.150 nan 0.000 0.446 322 P HA -0.153 nan 4.420 nan 0.000 0.215 322 P C 1.620 179.108 177.300 0.313 0.000 1.157 322 P CA 2.195 65.445 63.100 0.249 0.000 0.868 322 P CB -0.308 31.566 31.700 0.290 0.000 0.788 323 A N -0.544 122.479 122.820 0.337 0.000 1.978 323 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 323 A C 2.182 179.986 177.584 0.367 0.000 1.170 323 A CA 2.314 54.605 52.037 0.423 0.000 0.636 323 A CB -1.846 17.286 19.000 0.221 0.000 0.810 323 A HN 0.236 nan 8.150 nan 0.000 0.448 324 T N -0.686 114.008 114.554 0.233 0.000 3.043 324 T HA -0.026 4.324 4.350 -0.000 0.000 0.263 324 T C 1.777 176.639 174.700 0.270 0.000 1.094 324 T CA 1.481 63.702 62.100 0.202 0.000 1.127 324 T CB -0.194 68.749 68.868 0.125 0.000 0.905 324 T HN 0.544 nan 8.240 nan 0.000 0.490 325 T N 1.756 116.456 114.554 0.243 0.000 2.904 325 T HA 0.063 4.413 4.350 -0.000 0.000 0.267 325 T C 1.473 176.332 174.700 0.265 0.000 1.059 325 T CA 0.577 62.806 62.100 0.215 0.000 1.137 325 T CB -0.458 68.424 68.868 0.024 0.000 0.879 325 T HN 0.304 nan 8.240 nan 0.000 0.467 326 F N 2.224 122.359 119.950 0.308 0.000 2.115 326 F HA -0.134 4.393 4.527 0.000 0.000 0.300 326 F C 2.666 178.532 175.800 0.110 0.000 1.092 326 F CA 1.004 59.127 58.000 0.205 0.000 1.245 326 F CB -0.796 38.228 39.000 0.040 0.000 0.995 326 F HN 0.152 nan 8.300 nan 0.000 0.481 327 A N -1.476 121.472 122.820 0.215 0.000 2.178 327 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 327 A C 1.588 179.074 177.584 -0.163 0.000 1.157 327 A CA 1.397 53.425 52.037 -0.015 0.000 0.689 327 A CB -0.915 18.008 19.000 -0.128 0.000 0.787 327 A HN 0.514 nan 8.150 nan 0.000 0.465 328 H N -1.344 117.774 119.070 0.080 0.000 2.586 328 H HA 0.347 4.903 4.556 0.000 0.000 0.273 328 H C -0.206 175.133 175.328 0.017 0.000 0.997 328 H CA 0.055 56.120 56.048 0.028 0.000 1.177 328 H CB 0.171 29.927 29.762 -0.010 0.000 1.471 328 H HN 0.338 nan 8.280 nan 0.000 0.538 329 L N 0.425 121.728 121.223 0.134 0.000 2.331 329 L HA 0.210 4.550 4.340 -0.000 0.000 0.275 329 L C 0.848 177.762 176.870 0.073 0.000 1.022 329 L CA -0.548 54.349 54.840 0.094 0.000 0.812 329 L CB 1.864 44.005 42.059 0.137 0.000 1.257 329 L HN -0.093 nan 8.230 nan 0.000 0.435 330 D N 1.005 121.428 120.400 0.039 0.000 2.301 330 D HA 0.179 4.819 4.640 -0.000 0.000 0.206 330 D C 0.257 176.596 176.300 0.066 0.000 0.979 330 D CA 0.592 54.615 54.000 0.039 0.000 0.874 330 D CB 0.951 41.758 40.800 0.013 0.000 0.968 330 D HN 0.541 nan 8.370 nan 0.000 0.510 331 A N 0.334 123.193 122.820 0.066 0.000 2.449 331 A HA 0.587 4.907 4.320 -0.000 0.000 0.302 331 A C -0.508 177.168 177.584 0.153 0.000 1.048 331 A CA -0.586 51.529 52.037 0.130 0.000 0.708 331 A CB 1.604 20.725 19.000 0.201 0.000 1.274 331 A HN -0.016 nan 8.150 nan 0.000 0.410 332 T N -0.732 113.951 114.554 0.216 0.000 2.841 332 T HA 0.658 5.008 4.350 -0.000 0.000 0.285 332 T C -0.578 174.290 174.700 0.280 0.000 0.991 332 T CA -0.461 61.806 62.100 0.278 0.000 0.966 332 T CB 1.205 70.248 68.868 0.292 0.000 0.962 332 T HN 0.463 nan 8.240 nan 0.000 0.438 333 T N 3.448 118.198 114.554 0.326 0.000 2.874 333 T HA 0.429 4.779 4.350 -0.000 0.000 0.321 333 T C 0.044 174.924 174.700 0.300 0.000 1.075 333 T CA -0.530 61.747 62.100 0.294 0.000 0.966 333 T CB 0.580 69.645 68.868 0.328 0.000 1.001 333 T HN 0.642 nan 8.240 nan 0.000 0.476 334 V N 5.863 125.909 119.914 0.220 0.000 2.368 334 V HA 0.300 4.420 4.120 -0.000 0.000 0.266 334 V C 0.410 176.600 176.094 0.159 0.000 1.045 334 V CA -0.714 61.702 62.300 0.194 0.000 0.899 334 V CB 0.375 32.250 31.823 0.088 0.000 1.006 334 V HN 0.748 nan 8.190 nan 0.000 0.470 335 L N 3.966 125.295 121.223 0.177 0.000 2.417 335 L HA 0.461 4.801 4.340 -0.000 0.000 0.268 335 L C 0.562 177.489 176.870 0.094 0.000 1.158 335 L CA 0.370 55.293 54.840 0.138 0.000 0.819 335 L CB 1.309 43.463 42.059 0.158 0.000 1.112 335 L HN 0.655 nan 8.230 nan 0.000 0.458 336 S N 1.438 117.176 115.700 0.064 0.000 2.502 336 S HA 0.326 4.796 4.470 -0.000 0.000 0.304 336 S C 0.677 175.288 174.600 0.018 0.000 1.097 336 S CA -0.778 57.442 58.200 0.032 0.000 1.045 336 S CB 1.676 64.885 63.200 0.015 0.000 1.019 336 S HN 0.712 nan 8.310 nan 0.000 0.481 337 R N 3.295 123.805 120.500 0.016 0.000 2.092 337 R HA 0.004 4.344 4.340 -0.000 0.000 0.231 337 R C 2.006 178.301 176.300 -0.009 0.000 1.119 337 R CA 1.639 57.747 56.100 0.013 0.000 0.970 337 R CB -0.562 29.747 30.300 0.016 0.000 0.864 337 R HN 0.748 nan 8.270 nan 0.000 0.440 338 A N 1.115 123.926 122.820 -0.015 0.000 1.969 338 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 338 A C 1.977 179.536 177.584 -0.042 0.000 1.169 338 A CA 0.915 52.937 52.037 -0.025 0.000 0.635 338 A CB -0.265 18.720 19.000 -0.025 0.000 0.810 338 A HN 0.243 nan 8.150 nan 0.000 0.445 339 I N -0.005 120.537 120.570 -0.047 0.000 2.163 339 I HA -0.186 3.984 4.170 -0.000 0.000 0.240 339 I C 2.958 178.982 176.117 -0.156 0.000 1.081 339 I CA 1.387 62.644 61.300 -0.071 0.000 1.353 339 I CB -1.717 36.253 38.000 -0.050 0.000 1.054 339 I HN 0.341 nan 8.210 nan 0.000 0.407 340 A N 0.692 123.393 122.820 -0.197 0.000 1.940 340 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 340 A C 2.156 179.592 177.584 -0.247 0.000 1.176 340 A CA 1.631 53.429 52.037 -0.399 0.000 0.631 340 A CB -0.721 18.175 19.000 -0.173 0.000 0.814 340 A HN 0.530 nan 8.150 nan 0.000 0.446 341 E N -0.388 119.754 120.200 -0.098 0.000 2.338 341 E HA -0.042 4.308 4.350 -0.000 0.000 0.197 341 E C 1.362 177.933 176.600 -0.048 0.000 1.007 341 E CA 0.478 56.854 56.400 -0.040 0.000 0.849 341 E CB -0.197 29.495 29.700 -0.015 0.000 0.774 341 E HN 0.632 nan 8.360 nan 0.000 0.506 342 L N -0.404 120.772 121.223 -0.079 0.000 2.599 342 L HA 0.097 4.437 4.340 -0.000 0.000 0.230 342 L C 1.451 178.274 176.870 -0.079 0.000 1.141 342 L CA 0.435 55.233 54.840 -0.069 0.000 0.877 342 L CB 0.032 42.057 42.059 -0.057 0.000 1.009 342 L HN 0.298 nan 8.230 nan 0.000 0.447 343 G N 0.640 109.390 108.800 -0.083 0.000 2.175 343 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 343 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 343 G C 0.267 175.217 174.900 0.082 0.000 0.982 343 G CA -0.325 44.796 45.100 0.035 0.000 0.641 343 G HN 0.267 nan 8.290 nan 0.000 0.527 344 I N 1.362 121.882 120.570 -0.084 0.000 2.322 344 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 344 I C -0.065 175.892 176.117 -0.267 0.000 1.060 344 I CA -0.536 60.762 61.300 -0.002 0.000 1.309 344 I CB 0.261 38.287 38.000 0.043 0.000 1.415 344 I HN 0.059 nan 8.210 nan 0.000 0.492 345 Y N 7.622 127.936 120.300 0.023 0.000 2.485 345 Y HA 0.444 4.994 4.550 0.000 0.000 0.345 345 Y C -2.148 173.611 175.900 -0.236 0.000 0.998 345 Y CA -2.901 55.139 58.100 -0.100 0.000 1.059 345 Y CB 1.457 39.829 38.460 -0.146 0.000 1.234 345 Y HN 0.391 nan 8.280 nan 0.000 0.461 346 P HA 0.080 nan 4.420 nan 0.000 0.269 346 P C -0.445 176.920 177.300 0.109 0.000 1.209 346 P CA -0.154 63.002 63.100 0.092 0.000 0.776 346 P CB 0.842 32.660 31.700 0.196 0.000 0.876 347 A N 3.287 126.189 122.820 0.138 0.000 2.810 347 A HA 0.189 4.509 4.320 -0.000 0.000 0.247 347 A C 0.444 178.068 177.584 0.065 0.000 1.576 347 A CA -0.242 51.807 52.037 0.020 0.000 1.294 347 A CB -1.292 17.704 19.000 -0.007 0.000 0.976 347 A HN 0.370 nan 8.150 nan 0.000 0.631 348 V N 1.240 121.204 119.914 0.083 0.000 2.508 348 V HA 0.051 4.171 4.120 -0.000 0.000 0.281 348 V C 0.397 176.525 176.094 0.058 0.000 1.041 348 V CA -0.592 61.763 62.300 0.091 0.000 1.016 348 V CB 1.004 32.889 31.823 0.103 0.000 0.984 348 V HN 0.574 nan 8.190 nan 0.000 0.478 349 D N 8.206 128.639 120.400 0.056 0.000 2.338 349 D HA 0.151 4.791 4.640 -0.000 0.000 0.255 349 D C -1.271 175.045 176.300 0.027 0.000 1.237 349 D CA -1.944 52.075 54.000 0.032 0.000 0.883 349 D CB 1.843 42.657 40.800 0.024 0.000 1.087 349 D HN 0.280 nan 8.370 nan 0.000 0.485 350 P HA -0.047 nan 4.420 nan 0.000 0.226 350 P C 1.248 178.543 177.300 -0.008 0.000 1.153 350 P CA 0.558 63.658 63.100 0.001 0.000 0.777 350 P CB 0.483 32.179 31.700 -0.006 0.000 0.794 351 L N -1.259 119.960 121.223 -0.007 0.000 2.664 351 L HA 0.227 4.567 4.340 -0.000 0.000 0.233 351 L C 1.367 178.223 176.870 -0.023 0.000 1.113 351 L CA 0.427 55.257 54.840 -0.018 0.000 0.896 351 L CB 0.038 42.085 42.059 -0.021 0.000 1.163 351 L HN -0.151 nan 8.230 nan 0.000 0.497 352 D N -0.888 119.504 120.400 -0.013 0.000 2.503 352 D HA 0.105 4.745 4.640 -0.000 0.000 0.218 352 D C 0.014 176.317 176.300 0.006 0.000 1.183 352 D CA 0.225 54.209 54.000 -0.026 0.000 0.827 352 D CB 0.739 41.520 40.800 -0.031 0.000 1.034 352 D HN -0.105 nan 8.370 nan 0.000 0.510 353 S N -0.115 115.604 115.700 0.031 0.000 2.437 353 S HA 0.611 5.080 4.470 -0.000 0.000 0.305 353 S C 0.020 174.659 174.600 0.064 0.000 1.109 353 S CA -0.602 57.642 58.200 0.074 0.000 1.099 353 S CB 1.683 64.937 63.200 0.090 0.000 1.004 353 S HN 0.293 nan 8.310 nan 0.000 0.475 354 T N -0.587 114.021 114.554 0.090 0.000 2.901 354 T HA 0.815 5.165 4.350 -0.000 0.000 0.293 354 T C -0.660 174.104 174.700 0.107 0.000 1.084 354 T CA -0.886 61.260 62.100 0.077 0.000 1.008 354 T CB 1.852 70.752 68.868 0.055 0.000 1.170 354 T HN 0.425 nan 8.240 nan 0.000 0.509 355 S N -0.697 115.055 115.700 0.087 0.000 2.572 355 S HA 0.386 4.856 4.470 -0.000 0.000 0.274 355 S C 0.468 175.110 174.600 0.069 0.000 1.150 355 S CA -0.899 57.359 58.200 0.097 0.000 0.944 355 S CB 1.476 64.742 63.200 0.110 0.000 1.071 355 S HN 0.763 nan 8.310 nan 0.000 0.479 356 R N 3.015 123.552 120.500 0.062 0.000 2.339 356 R HA 0.153 4.493 4.340 -0.000 0.000 0.199 356 R C 0.884 177.204 176.300 0.033 0.000 1.018 356 R CA 0.504 56.630 56.100 0.043 0.000 1.036 356 R CB -0.129 30.192 30.300 0.036 0.000 0.899 356 R HN 0.565 nan 8.270 nan 0.000 0.473 357 I N 0.168 120.762 120.570 0.039 0.000 3.860 357 I HA 0.025 4.195 4.170 -0.000 0.000 0.319 357 I C 0.708 176.829 176.117 0.007 0.000 1.279 357 I CA 0.057 61.371 61.300 0.023 0.000 1.220 357 I CB -0.069 37.954 38.000 0.038 0.000 1.027 357 I HN 0.118 nan 8.210 nan 0.000 0.428 358 M N 2.349 121.966 119.600 0.028 0.000 3.070 358 M HA 0.110 4.590 4.480 -0.000 0.000 0.275 358 M C -0.690 175.678 176.300 0.113 0.000 1.510 358 M CA 0.379 55.708 55.300 0.049 0.000 1.608 358 M CB -0.940 31.697 32.600 0.061 0.000 1.266 358 M HN -0.036 nan 8.290 nan 0.000 0.514 359 D N 4.810 125.223 120.400 0.022 0.000 2.970 359 D HA 0.381 5.021 4.640 -0.000 0.000 0.230 359 D C -2.394 173.780 176.300 -0.210 0.000 1.276 359 D CA -1.592 52.333 54.000 -0.125 0.000 0.910 359 D CB 2.293 43.037 40.800 -0.092 0.000 1.590 359 D HN 0.132 nan 8.370 nan 0.000 0.551 360 P HA -0.147 nan 4.420 nan 0.000 0.217 360 P C 0.701 177.907 177.300 -0.157 0.000 1.151 360 P CA 1.078 63.968 63.100 -0.350 0.000 0.849 360 P CB 0.323 31.715 31.700 -0.514 0.000 0.787 361 N N -0.999 117.610 118.700 -0.152 0.000 2.550 361 N HA 0.016 4.756 4.740 -0.000 0.000 0.186 361 N C 1.698 177.176 175.510 -0.054 0.000 1.110 361 N CA 0.677 53.677 53.050 -0.084 0.000 0.912 361 N CB -0.125 38.316 38.487 -0.077 0.000 0.968 361 N HN 0.332 nan 8.380 nan 0.000 0.448 362 I N -0.471 120.064 120.570 -0.058 0.000 3.443 362 I HA -0.043 4.127 4.170 -0.000 0.000 0.277 362 I C 1.708 177.816 176.117 -0.015 0.000 1.169 362 I CA 0.353 61.634 61.300 -0.030 0.000 1.419 362 I CB 0.262 38.244 38.000 -0.029 0.000 1.331 362 I HN -0.104 nan 8.210 nan 0.000 0.458 363 V N -1.333 118.557 119.914 -0.040 0.000 3.650 363 V HA 0.581 4.701 4.120 -0.000 0.000 0.271 363 V C 0.794 176.926 176.094 0.062 0.000 1.281 363 V CA 0.223 62.510 62.300 -0.021 0.000 1.120 363 V CB -0.696 30.951 31.823 -0.292 0.000 0.856 363 V HN 0.468 nan 8.190 nan 0.000 0.443 364 G N 0.962 109.785 108.800 0.039 0.000 2.675 364 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.686 364 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.686 364 G C 0.367 175.333 174.900 0.110 0.000 1.215 364 G CA 0.240 45.383 45.100 0.072 0.000 0.777 364 G HN 1.221 nan 8.290 nan 0.000 0.638 365 S N -0.412 115.345 115.700 0.096 0.000 2.406 365 S HA -0.032 4.438 4.470 -0.000 0.000 0.228 365 S C 1.694 176.405 174.600 0.184 0.000 1.020 365 S CA 1.758 60.042 58.200 0.140 0.000 0.965 365 S CB -0.015 63.238 63.200 0.088 0.000 0.798 365 S HN 0.824 nan 8.310 nan 0.000 0.488 366 E N 0.988 121.280 120.200 0.154 0.000 2.028 366 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 366 E C 2.073 178.792 176.600 0.199 0.000 0.988 366 E CA 1.222 57.711 56.400 0.148 0.000 0.799 366 E CB -0.370 29.400 29.700 0.116 0.000 0.755 366 E HN 0.854 nan 8.360 nan 0.000 0.447 367 H N -1.296 117.833 119.070 0.098 0.000 2.319 367 H HA -0.232 4.324 4.556 -0.000 0.000 0.299 367 H C 2.201 177.581 175.328 0.087 0.000 1.092 367 H CA 1.708 57.808 56.048 0.086 0.000 1.302 367 H CB -0.124 29.688 29.762 0.084 0.000 1.373 367 H HN 0.250 nan 8.280 nan 0.000 0.497 368 Y N 1.724 122.084 120.300 0.101 0.000 2.128 368 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 368 Y C 2.095 178.024 175.900 0.048 0.000 1.154 368 Y CA 2.090 60.194 58.100 0.006 0.000 1.149 368 Y CB -0.389 38.056 38.460 -0.025 0.000 0.976 368 Y HN 0.334 nan 8.280 nan 0.000 0.505 369 D N -0.737 119.704 120.400 0.069 0.000 2.144 369 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 369 D C 2.377 178.658 176.300 -0.031 0.000 0.978 369 D CA 1.511 55.505 54.000 -0.011 0.000 0.833 369 D CB -0.297 40.555 40.800 0.087 0.000 0.961 369 D HN 0.328 nan 8.370 nan 0.000 0.470 370 V N 1.420 121.355 119.914 0.035 0.000 2.427 370 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 370 V C 2.529 178.616 176.094 -0.012 0.000 1.051 370 V CA 1.651 63.980 62.300 0.048 0.000 1.048 370 V CB -0.732 31.153 31.823 0.102 0.000 0.666 370 V HN 0.156 nan 8.190 nan 0.000 0.456 371 A N 0.079 122.874 122.820 -0.042 0.000 1.855 371 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 371 A C 2.341 179.830 177.584 -0.157 0.000 1.191 371 A CA 1.370 53.345 52.037 -0.104 0.000 0.613 371 A CB -0.472 18.481 19.000 -0.078 0.000 0.829 371 A HN 0.364 nan 8.150 nan 0.000 0.442 372 R N -0.290 120.055 120.500 -0.257 0.000 2.105 372 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 372 R C 2.277 178.511 176.300 -0.111 0.000 1.135 372 R CA 1.337 57.300 56.100 -0.227 0.000 0.967 372 R CB -1.636 28.474 30.300 -0.318 0.000 0.861 372 R HN 0.558 nan 8.270 nan 0.000 0.442 373 G N 0.165 108.919 108.800 -0.077 0.000 2.404 373 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 373 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 373 G C 1.603 176.499 174.900 -0.006 0.000 1.174 373 G CA 0.778 45.865 45.100 -0.023 0.000 0.780 373 G HN 0.179 nan 8.290 nan 0.000 0.537 374 V N 0.790 120.696 119.914 -0.013 0.000 2.287 374 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 374 V C 2.930 179.016 176.094 -0.014 0.000 1.053 374 V CA 2.328 64.625 62.300 -0.005 0.000 1.027 374 V CB -0.705 31.063 31.823 -0.091 0.000 0.646 374 V HN 0.448 nan 8.190 nan 0.000 0.447 375 Q N -0.303 119.471 119.800 -0.044 0.000 2.170 375 Q HA -0.249 4.091 4.340 -0.000 0.000 0.203 375 Q C 2.342 178.334 176.000 -0.014 0.000 0.976 375 Q CA 1.586 57.370 55.803 -0.033 0.000 0.858 375 Q CB -0.238 28.467 28.738 -0.054 0.000 0.907 375 Q HN 0.598 nan 8.270 nan 0.000 0.433 376 K N 1.117 121.507 120.400 -0.016 0.000 2.026 376 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 376 K C 1.979 178.590 176.600 0.019 0.000 1.048 376 K CA 1.037 57.323 56.287 -0.003 0.000 0.929 376 K CB -0.112 32.384 32.500 -0.007 0.000 0.713 376 K HN 0.173 nan 8.250 nan 0.000 0.439 377 I N 0.969 121.555 120.570 0.026 0.000 2.394 377 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 377 I C 1.786 177.953 176.117 0.084 0.000 1.136 377 I CA 0.784 62.111 61.300 0.044 0.000 1.425 377 I CB 0.143 38.161 38.000 0.031 0.000 1.079 377 I HN 0.221 nan 8.210 nan 0.000 0.425 378 L N -0.009 121.262 121.223 0.080 0.000 2.056 378 L HA -0.224 4.116 4.340 -0.000 0.000 0.207 378 L C 2.563 179.487 176.870 0.091 0.000 1.078 378 L CA 1.164 56.075 54.840 0.119 0.000 0.749 378 L CB -0.626 41.479 42.059 0.077 0.000 0.901 378 L HN 0.291 nan 8.230 nan 0.000 0.433 379 Q N 0.285 120.112 119.800 0.044 0.000 2.079 379 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 379 Q C 1.745 177.763 176.000 0.030 0.000 0.974 379 Q CA 1.700 57.514 55.803 0.017 0.000 0.840 379 Q CB -0.078 28.661 28.738 0.002 0.000 0.898 379 Q HN 0.379 nan 8.270 nan 0.000 0.430 380 D N -0.930 119.503 120.400 0.054 0.000 2.117 380 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 380 D C 1.559 177.928 176.300 0.114 0.000 0.987 380 D CA 1.052 55.090 54.000 0.063 0.000 0.829 380 D CB -0.396 40.438 40.800 0.056 0.000 0.961 380 D HN 0.332 nan 8.370 nan 0.000 0.460 381 Y N 2.009 122.303 120.300 -0.009 0.000 2.181 381 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 381 Y C 2.212 178.106 175.900 -0.010 0.000 1.146 381 Y CA 1.381 59.476 58.100 -0.009 0.000 1.164 381 Y CB -0.327 38.128 38.460 -0.008 0.000 0.982 381 Y HN -0.185 nan 8.280 nan 0.000 0.515 382 K N 0.051 120.381 120.400 -0.117 0.000 2.032 382 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 382 K C 2.420 178.944 176.600 -0.127 0.000 1.048 382 K CA 1.951 58.114 56.287 -0.206 0.000 0.927 382 K CB -0.396 32.034 32.500 -0.117 0.000 0.712 382 K HN 0.465 nan 8.250 nan 0.000 0.441 383 S N 0.214 115.883 115.700 -0.052 0.000 2.442 383 S HA -0.109 4.361 4.470 -0.000 0.000 0.236 383 S C 1.857 176.442 174.600 -0.025 0.000 1.007 383 S CA 0.913 59.094 58.200 -0.032 0.000 0.965 383 S CB -0.336 62.858 63.200 -0.009 0.000 0.773 383 S HN 0.293 nan 8.310 nan 0.000 0.504 384 L N 0.539 121.755 121.223 -0.011 0.000 2.127 384 L HA 0.040 4.380 4.340 -0.000 0.000 0.203 384 L C 2.947 179.804 176.870 -0.022 0.000 1.080 384 L CA 0.881 55.730 54.840 0.015 0.000 0.768 384 L CB -0.716 41.398 42.059 0.092 0.000 0.924 384 L HN 0.298 nan 8.230 nan 0.000 0.444 385 Q N 0.067 119.806 119.800 -0.102 0.000 2.315 385 Q HA -0.342 3.998 4.340 -0.000 0.000 0.213 385 Q C 1.601 177.557 176.000 -0.072 0.000 0.994 385 Q CA 2.184 57.905 55.803 -0.136 0.000 0.906 385 Q CB -0.317 28.256 28.738 -0.275 0.000 0.918 385 Q HN 0.444 nan 8.270 nan 0.000 0.427 386 D N 0.178 120.543 120.400 -0.057 0.000 2.144 386 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 386 D C 1.492 177.780 176.300 -0.021 0.000 0.978 386 D CA 0.948 54.925 54.000 -0.038 0.000 0.833 386 D CB 0.024 40.804 40.800 -0.033 0.000 0.961 386 D HN 0.294 nan 8.370 nan 0.000 0.470 387 I N -0.138 120.425 120.570 -0.011 0.000 2.876 387 I HA -0.047 4.123 4.170 -0.000 0.000 0.264 387 I C 1.950 178.070 176.117 0.005 0.000 1.204 387 I CA 0.364 61.663 61.300 -0.001 0.000 1.485 387 I CB -0.035 37.968 38.000 0.005 0.000 1.103 387 I HN 0.024 nan 8.210 nan 0.000 0.446 388 I N 1.129 121.704 120.570 0.009 0.000 2.617 388 I HA -0.117 4.053 4.170 -0.000 0.000 0.256 388 I C 2.792 178.914 176.117 0.009 0.000 1.167 388 I CA 0.759 62.071 61.300 0.020 0.000 1.469 388 I CB -0.355 37.671 38.000 0.043 0.000 1.098 388 I HN 0.136 nan 8.210 nan 0.000 0.436 389 A N 1.325 124.142 122.820 -0.004 0.000 1.933 389 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 389 A C 2.193 179.775 177.584 -0.003 0.000 1.175 389 A CA 1.503 53.535 52.037 -0.008 0.000 0.628 389 A CB -0.330 18.660 19.000 -0.018 0.000 0.814 389 A HN 0.279 nan 8.150 nan 0.000 0.444 390 I N -0.958 119.611 120.570 -0.002 0.000 2.594 390 I HA 0.016 4.186 4.170 -0.000 0.000 0.237 390 I C 2.401 178.520 176.117 0.003 0.000 1.071 390 I CA 0.808 62.108 61.300 -0.000 0.000 1.427 390 I CB -1.478 36.521 38.000 -0.001 0.000 1.218 390 I HN 0.222 nan 8.210 nan 0.000 0.444 391 L N 0.163 121.389 121.223 0.005 0.000 2.179 391 L HA 0.192 4.532 4.340 -0.000 0.000 0.208 391 L C 1.208 178.084 176.870 0.010 0.000 1.096 391 L CA 0.738 55.582 54.840 0.007 0.000 0.779 391 L CB -0.629 41.434 42.059 0.007 0.000 0.922 391 L HN 0.544 nan 8.230 nan 0.000 0.443 392 G N -0.654 108.154 108.800 0.014 0.000 2.610 392 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.304 392 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.304 392 G C 0.123 175.039 174.900 0.025 0.000 1.309 392 G CA 0.047 45.158 45.100 0.020 0.000 0.906 392 G HN 0.026 nan 8.290 nan 0.000 0.521 393 M N -0.441 119.176 119.600 0.029 0.000 2.254 393 M HA 0.022 4.502 4.480 -0.000 0.000 0.265 393 M C 1.794 178.105 176.300 0.019 0.000 1.066 393 M CA 2.137 57.455 55.300 0.030 0.000 1.123 393 M CB -0.293 32.324 32.600 0.028 0.000 1.388 393 M HN 0.562 nan 8.290 nan 0.000 0.425 394 D N 0.459 120.867 120.400 0.014 0.000 2.354 394 D HA -0.175 4.465 4.640 -0.000 0.000 0.216 394 D C 1.303 177.609 176.300 0.010 0.000 0.970 394 D CA 1.097 55.103 54.000 0.010 0.000 0.905 394 D CB -0.100 40.705 40.800 0.008 0.000 0.903 394 D HN 0.434 nan 8.370 nan 0.000 0.508 395 E N -0.311 119.896 120.200 0.012 0.000 2.474 395 E HA 0.154 4.504 4.350 -0.000 0.000 0.195 395 E C 0.296 176.903 176.600 0.012 0.000 1.039 395 E CA -0.108 56.299 56.400 0.010 0.000 0.881 395 E CB 0.192 29.898 29.700 0.010 0.000 0.970 395 E HN 0.164 nan 8.360 nan 0.000 0.486 396 L N 1.016 122.248 121.223 0.014 0.000 2.439 396 L HA 0.251 4.591 4.340 -0.000 0.000 0.261 396 L C 0.604 177.480 176.870 0.011 0.000 1.153 396 L CA -0.632 54.218 54.840 0.015 0.000 0.808 396 L CB 1.017 43.089 42.059 0.022 0.000 1.126 396 L HN 0.076 nan 8.230 nan 0.000 0.460 397 S N -0.064 115.642 115.700 0.010 0.000 2.568 397 S HA -0.024 4.446 4.470 -0.000 0.000 0.282 397 S C 0.794 175.397 174.600 0.005 0.000 1.338 397 S CA -0.502 57.702 58.200 0.007 0.000 1.045 397 S CB 1.094 64.299 63.200 0.007 0.000 0.873 397 S HN 0.656 nan 8.310 nan 0.000 0.516 398 E N 0.716 120.918 120.200 0.003 0.000 2.393 398 E HA -0.174 4.176 4.350 -0.000 0.000 0.201 398 E C 1.684 178.284 176.600 -0.001 0.000 1.025 398 E CA 1.576 57.976 56.400 0.001 0.000 0.856 398 E CB -0.078 29.622 29.700 0.000 0.000 0.771 398 E HN 0.863 nan 8.360 nan 0.000 0.526 399 E N -0.445 119.756 120.200 0.001 0.000 2.075 399 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 399 E C 1.013 177.613 176.600 -0.000 0.000 0.969 399 E CA 0.787 57.187 56.400 -0.000 0.000 0.815 399 E CB 0.100 29.801 29.700 0.002 0.000 0.776 399 E HN 0.189 nan 8.360 nan 0.000 0.457 400 D N 0.984 121.387 120.400 0.006 0.000 2.219 400 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 400 D C 1.634 177.935 176.300 0.003 0.000 0.970 400 D CA 0.803 54.811 54.000 0.012 0.000 0.851 400 D CB 0.015 40.829 40.800 0.024 0.000 0.943 400 D HN 0.159 nan 8.370 nan 0.000 0.488 401 K N 0.060 120.458 120.400 -0.003 0.000 2.147 401 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 401 K C 1.960 178.538 176.600 -0.037 0.000 1.049 401 K CA 0.384 56.662 56.287 -0.016 0.000 0.936 401 K CB -0.032 32.462 32.500 -0.010 0.000 0.722 401 K HN 0.042 nan 8.250 nan 0.000 0.446 402 L N 1.058 122.263 121.223 -0.029 0.000 2.072 402 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 402 L C 2.529 179.364 176.870 -0.058 0.000 1.079 402 L CA 2.069 56.886 54.840 -0.038 0.000 0.752 402 L CB -0.875 41.170 42.059 -0.022 0.000 0.906 402 L HN 0.308 nan 8.230 nan 0.000 0.436 403 T N -3.878 110.649 114.554 -0.044 0.000 2.821 403 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 403 T C 1.897 176.516 174.700 -0.135 0.000 1.046 403 T CA 1.502 63.570 62.100 -0.053 0.000 1.139 403 T CB -0.974 67.890 68.868 -0.007 0.000 0.871 403 T HN 0.105 nan 8.240 nan 0.000 0.454 404 V N 1.847 121.669 119.914 -0.154 0.000 2.252 404 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 404 V C 3.098 178.953 176.094 -0.398 0.000 1.056 404 V CA 2.272 64.357 62.300 -0.358 0.000 1.022 404 V CB -1.307 30.407 31.823 -0.182 0.000 0.641 404 V HN 0.709 nan 8.190 nan 0.000 0.445 405 S N -0.361 115.207 115.700 -0.219 0.000 2.353 405 S HA -0.265 4.205 4.470 -0.000 0.000 0.222 405 S C 2.176 176.650 174.600 -0.210 0.000 1.035 405 S CA 2.023 60.112 58.200 -0.184 0.000 1.025 405 S CB -0.290 62.847 63.200 -0.106 0.000 0.902 405 S HN 0.570 nan 8.310 nan 0.000 0.440 406 R N 0.615 121.010 120.500 -0.176 0.000 2.092 406 R HA 0.055 4.395 4.340 -0.000 0.000 0.231 406 R C 2.710 178.901 176.300 -0.182 0.000 1.119 406 R CA 1.198 57.196 56.100 -0.169 0.000 0.970 406 R CB -0.633 29.608 30.300 -0.099 0.000 0.864 406 R HN 0.532 nan 8.270 nan 0.000 0.440 407 A N 1.368 124.062 122.820 -0.209 0.000 1.865 407 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 407 A C 2.078 179.541 177.584 -0.201 0.000 1.191 407 A CA 1.457 53.380 52.037 -0.189 0.000 0.623 407 A CB -0.425 18.403 19.000 -0.287 0.000 0.826 407 A HN 0.227 nan 8.150 nan 0.000 0.444 408 R N -0.243 120.047 120.500 -0.350 0.000 2.120 408 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 408 R C 2.122 178.337 176.300 -0.142 0.000 1.123 408 R CA 1.598 57.573 56.100 -0.208 0.000 0.975 408 R CB -0.229 29.934 30.300 -0.228 0.000 0.866 408 R HN 0.540 nan 8.270 nan 0.000 0.446 409 K N 0.263 120.511 120.400 -0.253 0.000 2.103 409 K HA -0.034 4.286 4.320 -0.000 0.000 0.204 409 K C 2.006 178.426 176.600 -0.300 0.000 1.052 409 K CA 0.977 56.986 56.287 -0.462 0.000 0.945 409 K CB 0.000 31.959 32.500 -0.902 0.000 0.722 409 K HN 0.151 nan 8.250 nan 0.000 0.443 410 I N 1.498 121.996 120.570 -0.119 0.000 2.252 410 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 410 I C 2.430 178.696 176.117 0.250 0.000 1.102 410 I CA 1.252 62.646 61.300 0.157 0.000 1.385 410 I CB -0.143 37.976 38.000 0.198 0.000 1.064 410 I HN 0.209 nan 8.210 nan 0.000 0.414 411 Q N 0.299 120.186 119.800 0.144 0.000 2.135 411 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 411 Q C 2.299 178.413 176.000 0.190 0.000 0.981 411 Q CA 1.524 57.422 55.803 0.158 0.000 0.856 411 Q CB -0.060 28.758 28.738 0.133 0.000 0.902 411 Q HN 0.468 nan 8.270 nan 0.000 0.425 412 R N -0.969 119.652 120.500 0.203 0.000 2.161 412 R HA -0.038 4.302 4.340 -0.000 0.000 0.213 412 R C 1.773 178.283 176.300 0.349 0.000 1.055 412 R CA 0.535 56.812 56.100 0.295 0.000 0.996 412 R CB -0.043 30.443 30.300 0.310 0.000 0.901 412 R HN 0.146 nan 8.270 nan 0.000 0.456 413 F N 1.029 121.072 119.950 0.155 0.000 2.502 413 F HA 0.049 4.576 4.527 -0.000 0.000 0.298 413 F C 1.410 177.365 175.800 0.258 0.000 1.111 413 F CA 0.799 58.869 58.000 0.115 0.000 1.445 413 F CB 0.089 39.012 39.000 -0.128 0.000 1.081 413 F HN -0.090 nan 8.300 nan 0.000 0.558 414 L N -0.423 120.983 121.223 0.305 0.000 2.395 414 L HA -0.034 4.306 4.340 -0.000 0.000 0.218 414 L C 1.513 178.423 176.870 0.067 0.000 1.130 414 L CA 0.451 55.409 54.840 0.196 0.000 0.826 414 L CB -0.784 41.367 42.059 0.155 0.000 0.941 414 L HN 0.135 nan 8.230 nan 0.000 0.451 415 S N -0.092 115.656 115.700 0.080 0.000 2.603 415 S HA 0.342 4.812 4.470 -0.000 0.000 0.268 415 S C -0.334 174.231 174.600 -0.058 0.000 1.317 415 S CA -0.431 57.783 58.200 0.023 0.000 1.012 415 S CB 1.795 65.041 63.200 0.078 0.000 0.926 415 S HN 0.299 nan 8.310 nan 0.000 0.539 416 Q N 0.633 120.366 119.800 -0.111 0.000 2.468 416 Q HA 0.355 4.695 4.340 -0.000 0.000 0.263 416 Q C -3.214 172.689 176.000 -0.161 0.000 0.979 416 Q CA -1.653 54.089 55.803 -0.102 0.000 0.932 416 Q CB 2.012 30.740 28.738 -0.017 0.000 1.462 416 Q HN 0.542 nan 8.270 nan 0.000 0.403 417 P HA 0.241 nan 4.420 nan 0.000 0.276 417 P C -1.033 176.331 177.300 0.107 0.000 1.235 417 P CA -0.017 63.055 63.100 -0.046 0.000 0.772 417 P CB 0.193 31.903 31.700 0.016 0.000 0.871 418 F N 1.590 121.499 119.950 -0.068 0.000 2.399 418 F HA 0.273 4.800 4.527 -0.000 0.000 0.328 418 F C 2.035 177.773 175.800 -0.104 0.000 1.084 418 F CA -0.798 57.158 58.000 -0.072 0.000 1.053 418 F CB 0.752 39.712 39.000 -0.066 0.000 1.209 418 F HN 0.372 nan 8.300 nan 0.000 0.502 419 Q N 0.952 120.810 119.800 0.097 0.000 2.079 419 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 419 Q C 1.881 177.859 176.000 -0.037 0.000 0.974 419 Q CA 1.078 56.881 55.803 -0.000 0.000 0.840 419 Q CB -0.226 28.496 28.738 -0.026 0.000 0.898 419 Q HN 0.501 nan 8.270 nan 0.000 0.430 420 V N 0.535 120.431 119.914 -0.029 0.000 3.305 420 V HA -0.075 4.045 4.120 -0.000 0.000 0.269 420 V C 1.473 177.516 176.094 -0.085 0.000 1.157 420 V CA 1.395 63.670 62.300 -0.041 0.000 1.157 420 V CB -0.152 31.651 31.823 -0.033 0.000 0.772 420 V HN 0.378 nan 8.190 nan 0.000 0.498 421 A N -1.546 121.163 122.820 -0.185 0.000 2.390 421 A HA 0.163 4.483 4.320 -0.000 0.000 0.232 421 A C 1.763 178.871 177.584 -0.793 0.000 1.233 421 A CA 0.238 51.878 52.037 -0.663 0.000 0.907 421 A CB -0.108 18.508 19.000 -0.639 0.000 0.967 421 A HN 0.535 nan 8.150 nan 0.000 0.512 422 E N 0.179 120.158 120.200 -0.369 0.000 2.114 422 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 422 E C 1.664 178.106 176.600 -0.262 0.000 1.008 422 E CA 1.749 57.990 56.400 -0.264 0.000 0.810 422 E CB -0.331 29.293 29.700 -0.127 0.000 0.739 422 E HN 0.422 nan 8.360 nan 0.000 0.456 423 V N 0.905 120.692 119.914 -0.211 0.000 2.794 423 V HA -0.249 3.871 4.120 -0.000 0.000 0.260 423 V C 1.783 177.871 176.094 -0.009 0.000 1.103 423 V CA 2.009 64.262 62.300 -0.077 0.000 1.125 423 V CB -0.807 31.018 31.823 0.004 0.000 0.702 423 V HN 0.359 nan 8.190 nan 0.000 0.494 424 F N -0.803 119.109 119.950 -0.064 0.000 2.819 424 F HA 0.220 4.747 4.527 -0.000 0.000 0.325 424 F C 2.106 177.833 175.800 -0.122 0.000 1.041 424 F CA 0.584 58.538 58.000 -0.076 0.000 1.184 424 F CB -1.004 37.956 39.000 -0.067 0.000 1.019 424 F HN 0.033 nan 8.300 nan 0.000 0.590 425 T N -2.708 111.610 114.554 -0.394 0.000 2.896 425 T HA 0.349 4.699 4.350 -0.000 0.000 0.263 425 T C 1.962 176.391 174.700 -0.451 0.000 1.050 425 T CA 1.053 62.904 62.100 -0.414 0.000 1.140 425 T CB -0.738 67.751 68.868 -0.631 0.000 0.877 425 T HN 1.066 nan 8.240 nan 0.000 0.457 426 G N 1.215 109.846 108.800 -0.282 0.000 2.157 426 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.248 426 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.248 426 G C -0.118 174.814 174.900 0.054 0.000 0.979 426 G CA 0.148 45.193 45.100 -0.093 0.000 0.650 426 G HN 0.860 nan 8.290 nan 0.000 0.529 427 H N -0.861 118.164 119.070 -0.076 0.000 2.466 427 H HA 0.557 5.113 4.556 -0.000 0.000 0.338 427 H C 0.206 175.491 175.328 -0.071 0.000 1.091 427 H CA -1.296 54.712 56.048 -0.067 0.000 1.207 427 H CB 2.113 31.830 29.762 -0.075 0.000 1.466 427 H HN 0.199 nan 8.280 nan 0.000 0.493 428 L N 2.680 123.947 121.223 0.073 0.000 2.540 428 L HA 0.116 4.456 4.340 -0.000 0.000 0.276 428 L C 0.845 177.730 176.870 0.025 0.000 1.212 428 L CA 0.436 55.289 54.840 0.023 0.000 0.893 428 L CB 0.216 42.281 42.059 0.009 0.000 1.138 428 L HN 0.845 nan 8.230 nan 0.000 0.491 429 G N 4.134 112.943 108.800 0.015 0.000 2.606 429 G HA2 0.348 4.308 3.960 -0.000 0.000 0.252 429 G HA3 0.348 4.308 3.960 -0.000 0.000 0.252 429 G C -0.641 174.282 174.900 0.038 0.000 1.206 429 G CA -0.593 44.532 45.100 0.041 0.000 0.861 429 G HN 0.587 nan 8.290 nan 0.000 0.561 430 K N -0.268 120.170 120.400 0.063 0.000 2.426 430 K HA 0.528 4.848 4.320 -0.000 0.000 0.251 430 K C -1.526 175.102 176.600 0.047 0.000 0.941 430 K CA -0.884 55.428 56.287 0.041 0.000 0.808 430 K CB 2.523 35.040 32.500 0.027 0.000 1.265 430 K HN 0.223 nan 8.250 nan 0.000 0.432 431 L N 1.897 123.133 121.223 0.022 0.000 2.415 431 L HA 0.320 4.660 4.340 -0.000 0.000 0.268 431 L C -1.058 175.818 176.870 0.010 0.000 0.984 431 L CA -0.624 54.224 54.840 0.013 0.000 0.853 431 L CB 1.917 43.976 42.059 0.001 0.000 1.215 431 L HN 0.270 nan 8.230 nan 0.000 0.419 432 V N 5.680 125.599 119.914 0.008 0.000 2.407 432 V HA 0.464 4.584 4.120 -0.000 0.000 0.278 432 V C -1.990 174.109 176.094 0.008 0.000 1.037 432 V CA -1.691 60.614 62.300 0.008 0.000 0.900 432 V CB 1.343 33.164 31.823 -0.004 0.000 0.983 432 V HN 0.558 nan 8.190 nan 0.000 0.459 433 P HA 0.099 nan 4.420 nan 0.000 0.271 433 P C 0.752 178.057 177.300 0.009 0.000 1.216 433 P CA -0.358 62.749 63.100 0.012 0.000 0.771 433 P CB 0.766 32.476 31.700 0.017 0.000 0.864 434 L N 4.679 125.900 121.223 -0.004 0.000 2.051 434 L HA -0.271 4.069 4.340 -0.000 0.000 0.214 434 L C 2.133 178.985 176.870 -0.028 0.000 1.076 434 L CA 2.161 56.982 54.840 -0.032 0.000 0.758 434 L CB -1.004 41.035 42.059 -0.034 0.000 0.890 434 L HN 0.398 nan 8.230 nan 0.000 0.433 435 K N -1.368 119.032 120.400 0.001 0.000 2.097 435 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 435 K C 1.671 178.296 176.600 0.041 0.000 1.049 435 K CA 1.627 57.925 56.287 0.017 0.000 0.933 435 K CB -0.631 31.885 32.500 0.027 0.000 0.717 435 K HN 0.432 nan 8.250 nan 0.000 0.442 436 E N 0.829 121.058 120.200 0.048 0.000 2.208 436 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 436 E C 1.863 178.536 176.600 0.122 0.000 0.988 436 E CA 1.361 57.807 56.400 0.077 0.000 0.828 436 E CB -0.157 29.582 29.700 0.065 0.000 0.763 436 E HN 0.430 nan 8.360 nan 0.000 0.478 437 T N 2.098 116.714 114.554 0.104 0.000 2.770 437 T HA -0.058 4.292 4.350 -0.000 0.000 0.263 437 T C 2.037 176.906 174.700 0.282 0.000 1.039 437 T CA 0.568 62.779 62.100 0.184 0.000 1.142 437 T CB -0.010 68.910 68.868 0.087 0.000 0.868 437 T HN 0.043 nan 8.240 nan 0.000 0.435 438 I N 1.773 122.415 120.570 0.120 0.000 2.127 438 I HA -0.165 4.005 4.170 -0.000 0.000 0.241 438 I C 2.449 178.683 176.117 0.196 0.000 1.075 438 I CA 1.563 62.935 61.300 0.120 0.000 1.334 438 I CB -1.164 36.847 38.000 0.018 0.000 1.040 438 I HN 0.285 nan 8.210 nan 0.000 0.405 439 K N 1.107 121.596 120.400 0.150 0.000 2.001 439 K HA -0.192 4.128 4.320 -0.000 0.000 0.214 439 K C 2.228 178.925 176.600 0.161 0.000 1.050 439 K CA 2.056 58.424 56.287 0.135 0.000 0.934 439 K CB -0.622 31.940 32.500 0.104 0.000 0.718 439 K HN 0.331 nan 8.250 nan 0.000 0.443 440 G N 0.599 109.509 108.800 0.183 0.000 2.574 440 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 440 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 440 G C 1.324 176.240 174.900 0.027 0.000 1.173 440 G CA 1.296 46.461 45.100 0.110 0.000 0.772 440 G HN 0.338 nan 8.290 nan 0.000 0.585 441 F N 0.631 120.750 119.950 0.282 0.000 2.234 441 F HA 0.013 4.540 4.527 -0.000 0.000 0.299 441 F C 2.983 178.853 175.800 0.116 0.000 1.087 441 F CA 1.452 59.574 58.000 0.203 0.000 1.340 441 F CB -0.289 38.815 39.000 0.173 0.000 1.031 441 F HN 0.170 nan 8.300 nan 0.000 0.500 442 Q N -0.062 119.881 119.800 0.240 0.000 2.020 442 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 442 Q C 2.259 178.318 176.000 0.099 0.000 0.982 442 Q CA 1.777 57.668 55.803 0.147 0.000 0.838 442 Q CB -0.185 28.622 28.738 0.115 0.000 0.899 442 Q HN 0.480 nan 8.270 nan 0.000 0.423 443 Q N -0.222 119.637 119.800 0.097 0.000 2.096 443 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 443 Q C 1.960 177.997 176.000 0.063 0.000 0.982 443 Q CA 1.244 57.082 55.803 0.058 0.000 0.850 443 Q CB -0.078 28.749 28.738 0.147 0.000 0.901 443 Q HN 0.323 nan 8.270 nan 0.000 0.422 444 I N 0.444 121.078 120.570 0.107 0.000 2.179 444 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 444 I C 2.082 178.214 176.117 0.026 0.000 1.088 444 I CA 1.354 62.688 61.300 0.056 0.000 1.357 444 I CB -0.651 37.303 38.000 -0.078 0.000 1.051 444 I HN 0.192 nan 8.210 nan 0.000 0.409 445 L N 0.008 121.267 121.223 0.059 0.000 2.083 445 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 445 L C 2.401 179.283 176.870 0.020 0.000 1.083 445 L CA 1.336 56.205 54.840 0.047 0.000 0.752 445 L CB -0.633 41.471 42.059 0.075 0.000 0.899 445 L HN 0.247 nan 8.230 nan 0.000 0.433 446 A N -0.860 121.968 122.820 0.013 0.000 2.206 446 A HA 0.218 4.538 4.320 -0.000 0.000 0.211 446 A C 1.789 179.356 177.584 -0.029 0.000 1.158 446 A CA 0.905 52.937 52.037 -0.008 0.000 0.761 446 A CB -0.336 18.655 19.000 -0.015 0.000 0.801 446 A HN 0.547 nan 8.150 nan 0.000 0.473 447 G N -0.728 108.053 108.800 -0.031 0.000 2.175 447 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 447 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 447 G C 0.486 175.349 174.900 -0.061 0.000 0.982 447 G CA 0.465 45.547 45.100 -0.030 0.000 0.641 447 G HN 0.567 nan 8.290 nan 0.000 0.527 448 E N -0.885 119.209 120.200 -0.176 0.000 2.455 448 E HA -0.071 4.279 4.350 -0.000 0.000 0.202 448 E C 0.678 176.973 176.600 -0.508 0.000 1.045 448 E CA 1.005 57.177 56.400 -0.381 0.000 0.872 448 E CB -0.122 29.209 29.700 -0.615 0.000 0.792 448 E HN 0.765 nan 8.360 nan 0.000 0.542 449 Y N -0.986 119.356 120.300 0.071 0.000 2.738 449 Y HA 0.130 4.680 4.550 0.000 0.000 0.249 449 Y C 0.653 176.535 175.900 -0.030 0.000 1.153 449 Y CA -0.723 57.367 58.100 -0.016 0.000 1.165 449 Y CB 0.508 39.024 38.460 0.094 0.000 1.235 449 Y HN -0.110 nan 8.280 nan 0.000 0.559 450 D N -0.068 120.419 120.400 0.144 0.000 2.311 450 D HA -0.168 4.472 4.640 -0.000 0.000 0.212 450 D C 1.882 178.256 176.300 0.123 0.000 0.972 450 D CA 1.500 55.557 54.000 0.095 0.000 0.887 450 D CB -0.118 40.726 40.800 0.072 0.000 0.915 450 D HN 0.610 nan 8.370 nan 0.000 0.497 451 H N -0.928 118.195 119.070 0.089 0.000 2.539 451 H HA 0.173 4.729 4.556 -0.000 0.000 0.269 451 H C 0.602 175.990 175.328 0.100 0.000 0.980 451 H CA -0.158 55.933 56.048 0.072 0.000 1.152 451 H CB -0.073 29.716 29.762 0.045 0.000 1.407 451 H HN 0.082 nan 8.280 nan 0.000 0.564 452 L N 3.428 124.508 121.223 -0.239 0.000 2.334 452 L HA 0.330 4.670 4.340 -0.000 0.000 0.277 452 L C -2.144 174.782 176.870 0.094 0.000 1.075 452 L CA -2.095 52.674 54.840 -0.118 0.000 0.804 452 L CB 1.426 43.380 42.059 -0.174 0.000 1.174 452 L HN 0.017 nan 8.230 nan 0.000 0.438 453 P HA 0.101 nan 4.420 nan 0.000 0.275 453 P C 0.099 177.518 177.300 0.198 0.000 1.227 453 P CA -0.257 62.894 63.100 0.084 0.000 0.781 453 P CB 0.986 32.702 31.700 0.026 0.000 0.906 454 E N 1.739 122.044 120.200 0.174 0.000 2.068 454 E HA -0.293 4.057 4.350 -0.000 0.000 0.207 454 E C 1.954 178.723 176.600 0.281 0.000 1.032 454 E CA 1.629 58.160 56.400 0.218 0.000 0.839 454 E CB -0.206 29.535 29.700 0.068 0.000 0.758 454 E HN 0.589 nan 8.360 nan 0.000 0.457 455 Q N 0.365 120.247 119.800 0.137 0.000 2.308 455 Q HA -0.180 4.160 4.340 -0.000 0.000 0.209 455 Q C 2.036 178.101 176.000 0.109 0.000 0.985 455 Q CA 1.525 57.400 55.803 0.120 0.000 0.881 455 Q CB -0.418 28.355 28.738 0.058 0.000 0.917 455 Q HN 0.258 nan 8.270 nan 0.000 0.443 456 A N 0.474 123.299 122.820 0.008 0.000 2.019 456 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 456 A C 1.472 178.875 177.584 -0.303 0.000 1.164 456 A CA 0.912 52.811 52.037 -0.229 0.000 0.644 456 A CB -0.584 18.129 19.000 -0.478 0.000 0.805 456 A HN 0.350 nan 8.150 nan 0.000 0.449 457 F N -2.630 117.310 119.950 -0.017 0.000 2.698 457 F HA 0.186 4.713 4.527 -0.000 0.000 0.295 457 F C 0.805 176.706 175.800 0.168 0.000 1.124 457 F CA -0.362 57.652 58.000 0.023 0.000 1.426 457 F CB -0.284 38.700 39.000 -0.026 0.000 1.120 457 F HN 0.277 nan 8.300 nan 0.000 0.583 458 Y N 1.893 122.303 120.300 0.183 0.000 2.402 458 Y HA 0.269 4.819 4.550 -0.000 0.000 0.333 458 Y C 0.641 176.589 175.900 0.080 0.000 1.076 458 Y CA -1.446 56.732 58.100 0.129 0.000 1.299 458 Y CB 0.213 38.729 38.460 0.095 0.000 1.197 458 Y HN 0.076 nan 8.280 nan 0.000 0.517 459 M N 5.760 125.077 119.600 -0.472 0.000 2.298 459 M HA -0.164 4.316 4.480 -0.000 0.000 0.196 459 M C -1.091 175.089 176.300 -0.201 0.000 0.531 459 M CA 1.038 56.064 55.300 -0.457 0.000 0.459 459 M CB -2.805 29.364 32.600 -0.719 0.000 1.279 459 M HN 0.462 nan 8.290 nan 0.000 0.915 460 V N -3.393 116.474 119.914 -0.078 0.000 3.164 460 V HA 1.090 5.210 4.120 -0.000 0.000 0.313 460 V C 0.824 176.910 176.094 -0.014 0.000 1.188 460 V CA -0.106 62.174 62.300 -0.033 0.000 1.058 460 V CB 1.499 33.327 31.823 0.008 0.000 1.110 460 V HN 0.380 nan 8.190 nan 0.000 0.453 461 G N 0.139 108.941 108.800 0.005 0.000 2.722 461 G HA2 0.438 4.398 3.960 -0.000 0.000 0.201 461 G HA3 0.438 4.398 3.960 -0.000 0.000 0.201 461 G C -2.193 172.734 174.900 0.044 0.000 1.926 461 G CA -0.028 45.072 45.100 0.001 0.000 0.872 461 G HN 0.758 nan 8.290 nan 0.000 0.581 462 P HA 0.239 nan 4.420 nan 0.000 0.276 462 P C 0.914 178.333 177.300 0.198 0.000 1.252 462 P CA -0.680 62.510 63.100 0.150 0.000 0.802 462 P CB 1.558 33.302 31.700 0.074 0.000 1.035 463 I N 1.100 121.779 120.570 0.182 0.000 2.194 463 I HA -0.257 3.913 4.170 -0.000 0.000 0.246 463 I C 1.826 177.822 176.117 -0.203 0.000 1.093 463 I CA 1.948 63.165 61.300 -0.139 0.000 1.355 463 I CB -1.361 36.542 38.000 -0.162 0.000 1.046 463 I HN 0.400 nan 8.210 nan 0.000 0.413 464 E N 0.438 120.586 120.200 -0.087 0.000 2.130 464 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 464 E C 2.029 178.555 176.600 -0.124 0.000 0.998 464 E CA 1.233 57.578 56.400 -0.091 0.000 0.806 464 E CB -0.275 29.404 29.700 -0.035 0.000 0.738 464 E HN 0.552 nan 8.360 nan 0.000 0.459 465 E N 0.159 120.300 120.200 -0.098 0.000 2.204 465 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 465 E C 2.002 178.490 176.600 -0.188 0.000 0.989 465 E CA 0.723 57.059 56.400 -0.106 0.000 0.824 465 E CB -0.097 29.569 29.700 -0.056 0.000 0.756 465 E HN 0.314 nan 8.360 nan 0.000 0.477 466 A N 0.994 123.638 122.820 -0.293 0.000 1.873 466 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 466 A C 2.506 179.758 177.584 -0.553 0.000 1.186 466 A CA 1.121 52.838 52.037 -0.532 0.000 0.616 466 A CB -0.610 17.847 19.000 -0.905 0.000 0.823 466 A HN 0.107 nan 8.150 nan 0.000 0.442 467 V N 0.097 119.723 119.914 -0.479 0.000 2.295 467 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 467 V C 3.045 179.013 176.094 -0.210 0.000 1.049 467 V CA 1.916 64.015 62.300 -0.334 0.000 1.024 467 V CB -1.546 30.158 31.823 -0.199 0.000 0.648 467 V HN 0.600 nan 8.190 nan 0.000 0.447 468 A N 0.223 122.942 122.820 -0.168 0.000 1.892 468 A HA -0.334 3.986 4.320 -0.000 0.000 0.218 468 A C 2.362 179.873 177.584 -0.122 0.000 1.188 468 A CA 2.562 54.530 52.037 -0.115 0.000 0.631 468 A CB -0.593 18.351 19.000 -0.093 0.000 0.822 468 A HN 0.561 nan 8.150 nan 0.000 0.447 469 K N -0.405 119.902 120.400 -0.156 0.000 2.097 469 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 469 K C 1.960 178.477 176.600 -0.140 0.000 1.049 469 K CA 1.182 57.385 56.287 -0.140 0.000 0.933 469 K CB -0.328 32.078 32.500 -0.157 0.000 0.717 469 K HN 0.370 nan 8.250 nan 0.000 0.442 470 A N 0.862 123.566 122.820 -0.194 0.000 2.121 470 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 470 A C 1.143 178.670 177.584 -0.095 0.000 1.154 470 A CA 1.793 53.730 52.037 -0.166 0.000 0.679 470 A CB -0.267 18.590 19.000 -0.238 0.000 0.795 470 A HN 0.393 nan 8.150 nan 0.000 0.458 471 D N -0.104 120.246 120.400 -0.085 0.000 2.197 471 D HA -0.024 4.616 4.640 -0.000 0.000 0.212 471 D C 1.436 177.711 176.300 -0.042 0.000 0.963 471 D CA 0.793 54.763 54.000 -0.050 0.000 0.864 471 D CB -0.206 40.567 40.800 -0.045 0.000 1.009 471 D HN 0.161 nan 8.370 nan 0.000 0.479 472 K N 0.675 121.045 120.400 -0.050 0.000 2.589 472 K HA -0.018 4.302 4.320 -0.000 0.000 0.195 472 K C 0.508 177.088 176.600 -0.033 0.000 1.040 472 K CA 0.206 56.469 56.287 -0.040 0.000 0.950 472 K CB -0.450 32.022 32.500 -0.046 0.000 0.781 472 K HN 0.276 nan 8.250 nan 0.000 0.486 473 L N 1.455 122.657 121.223 -0.035 0.000 2.598 473 L HA 0.243 4.583 4.340 -0.000 0.000 0.241 473 L C 0.285 177.146 176.870 -0.016 0.000 1.244 473 L CA -0.535 54.290 54.840 -0.025 0.000 1.198 473 L CB 0.177 42.217 42.059 -0.032 0.000 1.448 473 L HN -0.010 nan 8.230 nan 0.000 0.406 474 A N 0.000 122.812 122.820 -0.013 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 474 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486