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 3h1c_1_R DATA FIRST_RESID 1 DATA SEQUENCE MLNPIVRKFQ YGQHTVTLET GMMARQATAA VMVSMDDTAV FVTVVGQKKA DATA SEQUENCE KPGQDFFPLT VNYQERTYAA GRIPGSFFRR EGRPSEGETL IARLIDRPIR DATA SEQUENCE PLFPEGFVNE VQVIATVVSV NPQVNPDIVA MIGASAALSL SGIPFNGPIG DATA SEQUENCE AARVGYINDQ YVLNPTQDEL KESKLDLVVA GTEAAVLMVE SEAQLLSEDQ DATA SEQUENCE MLGAVVFGHE QQQVVIQNIN ELVKEAGKPR WDWQPEPVNE ALNARVAALA DATA SEQUENCE EARLSDAYRI TDKQERYAQV DVIKSETIAT LLAEDETLDE NELGEILHAI DATA SEQUENCE EKNVVRSRVL AGEPRIDGRE KDMIRGLDVR TGVLPRTHGS ALFTRGETQA DATA SEQUENCE LVTATLGTAR DAQVLDELMG ERTDTFLFHY NFPPYSVGET GMVGSPKRRE DATA SEQUENCE IGHGRLAKRG VLAVMPDMDK FPYTVRVVSE ITESNGSSSM ASVCGASLAL DATA SEQUENCE MDAGVPIKAA VAGIAMGLVK EGDNYVVLSD ILGDEDHLGD MDFKVAGSRD DATA SEQUENCE GISALQMDIK IEGITKEIMQ VALNQAKGAR LHILGVMEQA INAP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.009 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 L N 4.540 125.769 121.223 0.009 0.000 2.350 2 L HA 0.506 4.846 4.340 -0.000 0.000 0.275 2 L C -0.257 176.622 176.870 0.014 0.000 1.099 2 L CA -0.485 54.362 54.840 0.013 0.000 0.808 2 L CB 0.989 43.055 42.059 0.012 0.000 1.149 2 L HN 0.612 nan 8.230 nan 0.000 0.442 3 N N 3.334 122.044 118.700 0.018 0.000 2.448 3 N HA 0.421 5.161 4.740 -0.000 0.000 0.279 3 N C -2.563 172.962 175.510 0.024 0.000 1.025 3 N CA -1.078 51.983 53.050 0.019 0.000 0.898 3 N CB 1.914 40.412 38.487 0.017 0.000 1.303 3 N HN 0.318 nan 8.380 nan 0.000 0.495 4 P HA 0.452 nan 4.420 nan 0.000 0.281 4 P C -0.484 176.834 177.300 0.030 0.000 1.249 4 P CA -0.422 62.697 63.100 0.031 0.000 0.810 4 P CB 1.433 33.151 31.700 0.030 0.000 1.008 5 I N 1.852 122.442 120.570 0.034 0.000 2.371 5 I HA 0.290 4.460 4.170 -0.000 0.000 0.282 5 I C 0.041 176.180 176.117 0.037 0.000 1.031 5 I CA -0.838 60.481 61.300 0.032 0.000 1.180 5 I CB 1.688 39.706 38.000 0.029 0.000 1.336 5 I HN 0.029 nan 8.210 nan 0.000 0.467 6 V N 7.336 127.272 119.914 0.036 0.000 2.513 6 V HA 0.630 4.750 4.120 -0.000 0.000 0.299 6 V C -0.657 175.466 176.094 0.048 0.000 1.035 6 V CA -0.426 61.899 62.300 0.042 0.000 0.889 6 V CB 2.070 33.915 31.823 0.037 0.000 0.988 6 V HN 0.809 nan 8.190 nan 0.000 0.440 7 R N 5.441 125.981 120.500 0.067 0.000 2.531 7 R HA 0.431 4.771 4.340 -0.000 0.000 0.293 7 R C -1.031 175.356 176.300 0.145 0.000 1.124 7 R CA -0.636 55.519 56.100 0.091 0.000 0.945 7 R CB 1.302 31.652 30.300 0.082 0.000 1.195 7 R HN 0.878 nan 8.270 nan 0.000 0.433 8 K N 3.556 124.030 120.400 0.124 0.000 2.156 8 K HA 0.583 4.903 4.320 -0.000 0.000 0.250 8 K C -0.957 175.761 176.600 0.196 0.000 0.955 8 K CA -0.632 55.711 56.287 0.095 0.000 0.855 8 K CB 1.364 33.871 32.500 0.013 0.000 1.101 8 K HN 0.282 nan 8.250 nan 0.000 0.434 9 F N -1.907 118.054 119.950 0.019 0.000 2.631 9 F HA 0.337 4.864 4.527 -0.000 0.000 0.308 9 F C -1.025 174.810 175.800 0.058 0.000 1.097 9 F CA -1.346 56.668 58.000 0.024 0.000 0.952 9 F CB 1.352 40.353 39.000 0.001 0.000 1.307 9 F HN 0.278 nan 8.300 nan 0.000 0.450 10 Q N 1.841 121.765 119.800 0.207 0.000 2.314 10 Q HA 0.166 4.506 4.340 -0.000 0.000 0.258 10 Q C -1.646 174.536 176.000 0.302 0.000 0.954 10 Q CA -0.045 55.847 55.803 0.148 0.000 0.890 10 Q CB 1.589 30.399 28.738 0.119 0.000 1.210 10 Q HN 0.820 nan 8.270 nan 0.000 0.410 11 Y N 1.606 121.930 120.300 0.040 0.000 2.563 11 Y HA 0.376 4.926 4.550 -0.000 0.000 0.351 11 Y C 0.571 176.509 175.900 0.064 0.000 1.087 11 Y CA 0.256 58.410 58.100 0.090 0.000 1.272 11 Y CB 0.157 38.661 38.460 0.074 0.000 1.095 11 Y HN 0.861 nan 8.280 nan 0.000 0.620 12 G N 3.156 111.920 108.800 -0.060 0.000 2.609 12 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.288 12 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.288 12 G C 0.734 175.557 174.900 -0.130 0.000 1.211 12 G CA 0.648 45.661 45.100 -0.145 0.000 0.963 12 G HN 0.418 nan 8.290 nan 0.000 0.541 13 Q N 1.455 121.111 119.800 -0.240 0.000 2.384 13 Q HA 0.174 4.514 4.340 -0.000 0.000 0.207 13 Q C 0.654 176.373 176.000 -0.468 0.000 0.904 13 Q CA 0.749 56.332 55.803 -0.367 0.000 0.933 13 Q CB 0.416 28.863 28.738 -0.485 0.000 1.077 13 Q HN 0.791 nan 8.270 nan 0.000 0.522 14 H N -0.197 118.845 119.070 -0.046 0.000 2.670 14 H HA 0.423 4.979 4.556 -0.000 0.000 0.361 14 H C -0.375 174.940 175.328 -0.021 0.000 1.169 14 H CA -0.351 55.682 56.048 -0.026 0.000 1.198 14 H CB 1.516 31.268 29.762 -0.017 0.000 1.700 14 H HN -0.204 nan 8.280 nan 0.000 0.542 15 T N 2.122 116.724 114.554 0.080 0.000 2.758 15 T HA 0.295 4.645 4.350 -0.000 0.000 0.285 15 T C 0.214 174.834 174.700 -0.133 0.000 0.981 15 T CA -0.669 61.405 62.100 -0.043 0.000 0.965 15 T CB 0.989 69.835 68.868 -0.037 0.000 0.927 15 T HN 0.184 nan 8.240 nan 0.000 0.448 16 V N 4.287 123.967 119.914 -0.390 0.000 2.394 16 V HA 0.468 4.588 4.120 -0.000 0.000 0.282 16 V C 0.317 176.117 176.094 -0.490 0.000 1.031 16 V CA -0.600 61.401 62.300 -0.500 0.000 0.881 16 V CB 1.404 32.771 31.823 -0.761 0.000 0.982 16 V HN 0.989 nan 8.190 nan 0.000 0.451 17 T N 6.608 121.040 114.554 -0.202 0.000 2.807 17 T HA 0.717 5.067 4.350 -0.000 0.000 0.279 17 T C -0.516 174.181 174.700 -0.006 0.000 0.993 17 T CA -0.418 61.634 62.100 -0.079 0.000 0.970 17 T CB 1.244 70.091 68.868 -0.036 0.000 0.950 17 T HN 0.368 nan 8.240 nan 0.000 0.441 18 L N 2.602 123.856 121.223 0.051 0.000 2.333 18 L HA 0.653 4.993 4.340 -0.000 0.000 0.280 18 L C 0.014 176.921 176.870 0.061 0.000 1.004 18 L CA -0.720 54.161 54.840 0.068 0.000 0.820 18 L CB 1.840 43.961 42.059 0.104 0.000 1.247 18 L HN 0.617 nan 8.230 nan 0.000 0.416 19 E N 1.921 122.158 120.200 0.062 0.000 2.256 19 E HA 0.623 4.973 4.350 -0.000 0.000 0.268 19 E C -1.469 175.174 176.600 0.073 0.000 0.877 19 E CA -0.344 56.095 56.400 0.065 0.000 0.757 19 E CB 2.548 32.290 29.700 0.071 0.000 1.183 19 E HN 0.546 nan 8.360 nan 0.000 0.418 20 T N 1.602 116.193 114.554 0.061 0.000 2.868 20 T HA 0.619 4.968 4.350 -0.000 0.000 0.306 20 T C 0.381 175.115 174.700 0.056 0.000 1.224 20 T CA 0.597 62.732 62.100 0.059 0.000 1.012 20 T CB 1.351 70.238 68.868 0.032 0.000 1.221 20 T HN 0.785 nan 8.240 nan 0.000 0.499 21 G N 2.081 110.917 108.800 0.060 0.000 2.284 21 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 21 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 21 G C 0.956 175.889 174.900 0.055 0.000 1.009 21 G CA 0.826 45.956 45.100 0.051 0.000 0.625 21 G HN 0.767 nan 8.290 nan 0.000 0.501 22 M N 0.164 119.802 119.600 0.064 0.000 2.257 22 M HA 0.515 4.995 4.480 -0.000 0.000 0.260 22 M C 1.195 177.536 176.300 0.069 0.000 1.102 22 M CA 0.817 56.150 55.300 0.055 0.000 1.169 22 M CB 0.145 32.771 32.600 0.043 0.000 1.323 22 M HN 0.257 nan 8.290 nan 0.000 0.447 23 M N 1.140 120.808 119.600 0.112 0.000 2.233 23 M HA 0.327 4.807 4.480 -0.000 0.000 0.355 23 M C 0.266 176.707 176.300 0.235 0.000 1.191 23 M CA -0.200 55.191 55.300 0.151 0.000 1.101 23 M CB 1.168 33.852 32.600 0.139 0.000 1.592 23 M HN 0.436 nan 8.290 nan 0.000 0.461 24 A N 2.756 125.692 122.820 0.194 0.000 2.183 24 A HA -0.202 4.118 4.320 -0.000 0.000 0.278 24 A C 0.773 178.420 177.584 0.106 0.000 1.404 24 A CA 0.726 52.863 52.037 0.166 0.000 0.737 24 A CB -1.133 18.006 19.000 0.232 0.000 1.172 24 A HN 1.033 nan 8.150 nan 0.000 0.338 25 R N -0.059 120.488 120.500 0.078 0.000 2.161 25 R HA -0.043 4.297 4.340 -0.000 0.000 0.213 25 R C 2.182 178.515 176.300 0.054 0.000 1.055 25 R CA 1.254 57.390 56.100 0.060 0.000 0.996 25 R CB -0.016 30.313 30.300 0.048 0.000 0.901 25 R HN 0.862 nan 8.270 nan 0.000 0.456 26 Q N 0.802 120.634 119.800 0.054 0.000 2.230 26 Q HA 0.061 4.401 4.340 -0.000 0.000 0.202 26 Q C 0.128 176.161 176.000 0.054 0.000 0.963 26 Q CA 0.517 56.349 55.803 0.049 0.000 0.866 26 Q CB 0.263 29.027 28.738 0.043 0.000 0.931 26 Q HN 0.258 nan 8.270 nan 0.000 0.452 27 A N -0.223 122.631 122.820 0.057 0.000 2.313 27 A HA 0.159 4.479 4.320 -0.000 0.000 0.261 27 A C 1.045 178.664 177.584 0.057 0.000 1.090 27 A CA 0.103 52.171 52.037 0.052 0.000 0.807 27 A CB 0.461 19.485 19.000 0.039 0.000 1.055 27 A HN 0.367 nan 8.150 nan 0.000 0.492 28 T N 0.552 115.146 114.554 0.066 0.000 2.746 28 T HA 0.244 4.594 4.350 -0.000 0.000 0.267 28 T C 0.760 175.489 174.700 0.048 0.000 1.039 28 T CA 1.764 63.919 62.100 0.092 0.000 1.142 28 T CB -0.249 68.694 68.868 0.125 0.000 0.866 28 T HN 1.451 nan 8.240 nan 0.000 0.444 29 A N -0.184 122.636 122.820 -0.001 0.000 2.566 29 A HA 0.775 5.095 4.320 -0.000 0.000 0.297 29 A C -1.572 175.961 177.584 -0.086 0.000 1.059 29 A CA -0.439 51.577 52.037 -0.036 0.000 0.691 29 A CB 1.322 20.285 19.000 -0.062 0.000 1.282 29 A HN 0.527 nan 8.150 nan 0.000 0.401 30 A N 1.195 123.960 122.820 -0.091 0.000 2.442 30 A HA 0.659 4.979 4.320 -0.000 0.000 0.284 30 A C -1.347 176.152 177.584 -0.142 0.000 1.058 30 A CA -0.366 51.551 52.037 -0.200 0.000 0.738 30 A CB 1.194 20.108 19.000 -0.145 0.000 1.242 30 A HN 1.565 nan 8.150 nan 0.000 0.421 31 V N 3.093 122.882 119.914 -0.209 0.000 2.444 31 V HA 0.455 4.575 4.120 -0.000 0.000 0.294 31 V C -0.105 175.961 176.094 -0.047 0.000 1.022 31 V CA -0.407 61.844 62.300 -0.081 0.000 0.850 31 V CB 1.507 33.291 31.823 -0.064 0.000 0.992 31 V HN 0.972 nan 8.190 nan 0.000 0.426 32 M N 6.956 126.621 119.600 0.108 0.000 2.156 32 M HA 0.427 4.907 4.480 -0.000 0.000 0.345 32 M C -0.897 175.464 176.300 0.101 0.000 1.398 32 M CA 0.327 55.748 55.300 0.201 0.000 1.148 32 M CB 0.598 33.349 32.600 0.251 0.000 1.663 32 M HN 0.419 nan 8.290 nan 0.000 0.464 33 V N 5.028 124.989 119.914 0.079 0.000 2.384 33 V HA 0.707 4.827 4.120 -0.000 0.000 0.287 33 V C -0.415 175.701 176.094 0.037 0.000 1.020 33 V CA -0.602 61.724 62.300 0.042 0.000 0.850 33 V CB 1.428 33.266 31.823 0.024 0.000 0.987 33 V HN 0.919 nan 8.190 nan 0.000 0.436 34 S N 4.700 120.406 115.700 0.011 0.000 2.521 34 S HA 0.823 5.293 4.470 -0.000 0.000 0.295 34 S C -0.711 173.871 174.600 -0.030 0.000 1.098 34 S CA -0.741 57.460 58.200 0.001 0.000 0.999 34 S CB 1.966 65.171 63.200 0.008 0.000 1.034 34 S HN 0.725 nan 8.310 nan 0.000 0.483 35 M N 2.914 122.498 119.600 -0.028 0.000 1.960 35 M HA 0.291 4.771 4.480 -0.000 0.000 0.271 35 M C -1.554 174.717 176.300 -0.048 0.000 0.862 35 M CA 0.084 55.359 55.300 -0.042 0.000 0.854 35 M CB -0.049 32.522 32.600 -0.049 0.000 1.575 35 M HN 0.855 nan 8.290 nan 0.000 0.375 36 D N 3.341 123.740 120.400 -0.001 0.000 3.278 36 D HA -0.166 4.473 4.640 -0.000 0.000 0.233 36 D C -0.068 176.237 176.300 0.007 0.000 1.149 36 D CA 1.823 55.840 54.000 0.029 0.000 0.957 36 D CB -0.613 40.255 40.800 0.115 0.000 0.913 36 D HN 0.888 nan 8.370 nan 0.000 0.409 37 D N -1.915 118.490 120.400 0.007 0.000 3.006 37 D HA -0.187 4.453 4.640 -0.000 0.000 0.208 37 D C -0.150 176.150 176.300 0.000 0.000 1.116 37 D CA 1.862 55.866 54.000 0.007 0.000 0.998 37 D CB -1.286 39.521 40.800 0.012 0.000 1.124 37 D HN 0.487 nan 8.370 nan 0.000 0.413 38 T N 0.332 114.880 114.554 -0.010 0.000 2.853 38 T HA 0.678 5.028 4.350 -0.000 0.000 0.317 38 T C 0.112 174.814 174.700 0.005 0.000 1.059 38 T CA -0.053 62.041 62.100 -0.009 0.000 0.954 38 T CB 1.557 70.407 68.868 -0.029 0.000 0.994 38 T HN 0.298 nan 8.240 nan 0.000 0.479 39 A N 3.199 126.030 122.820 0.018 0.000 2.331 39 A HA 0.786 5.106 4.320 -0.000 0.000 0.320 39 A C -0.525 177.095 177.584 0.059 0.000 1.138 39 A CA -0.691 51.370 52.037 0.040 0.000 0.790 39 A CB 1.090 20.118 19.000 0.047 0.000 1.206 39 A HN 0.630 nan 8.150 nan 0.000 0.470 40 V N 2.765 122.729 119.914 0.083 0.000 2.444 40 V HA 0.336 4.456 4.120 -0.000 0.000 0.294 40 V C -0.932 175.252 176.094 0.149 0.000 1.022 40 V CA -0.356 62.007 62.300 0.106 0.000 0.850 40 V CB 1.249 33.139 31.823 0.111 0.000 0.992 40 V HN 0.803 nan 8.190 nan 0.000 0.426 41 F N 6.128 126.082 119.950 0.006 0.000 2.421 41 F HA 0.609 5.136 4.527 -0.000 0.000 0.358 41 F C -0.118 175.687 175.800 0.009 0.000 1.115 41 F CA -0.268 57.738 58.000 0.009 0.000 1.160 41 F CB 1.000 40.007 39.000 0.011 0.000 1.123 41 F HN 0.263 nan 8.300 nan 0.000 0.508 42 V N 5.163 124.791 119.914 -0.477 0.000 2.448 42 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 42 V C -0.232 175.551 176.094 -0.518 0.000 1.025 42 V CA -0.611 61.473 62.300 -0.360 0.000 0.859 42 V CB 1.870 33.586 31.823 -0.179 0.000 0.988 42 V HN 0.837 nan 8.190 nan 0.000 0.431 43 T N 1.650 115.990 114.554 -0.356 0.000 2.863 43 T HA 0.817 5.167 4.350 -0.000 0.000 0.285 43 T C -0.907 173.704 174.700 -0.149 0.000 1.009 43 T CA -0.773 61.165 62.100 -0.270 0.000 0.989 43 T CB 1.886 70.638 68.868 -0.194 0.000 1.004 43 T HN 0.293 nan 8.240 nan 0.000 0.455 44 V N 2.769 122.610 119.914 -0.121 0.000 2.531 44 V HA 0.582 4.702 4.120 -0.000 0.000 0.301 44 V C -0.586 175.482 176.094 -0.043 0.000 1.034 44 V CA -0.742 61.506 62.300 -0.087 0.000 0.865 44 V CB 1.815 33.566 31.823 -0.121 0.000 0.995 44 V HN 0.923 nan 8.190 nan 0.000 0.424 45 V N 3.704 123.605 119.914 -0.021 0.000 2.409 45 V HA 0.834 4.954 4.120 -0.000 0.000 0.291 45 V C 0.495 176.610 176.094 0.035 0.000 1.020 45 V CA -0.314 61.998 62.300 0.020 0.000 0.848 45 V CB 1.824 33.660 31.823 0.022 0.000 0.990 45 V HN 0.955 nan 8.190 nan 0.000 0.430 46 G N 3.351 112.213 108.800 0.103 0.000 2.609 46 G HA2 0.559 4.519 3.960 -0.000 0.000 0.308 46 G HA3 0.559 4.519 3.960 -0.000 0.000 0.308 46 G C -0.874 174.240 174.900 0.357 0.000 1.369 46 G CA -0.533 44.661 45.100 0.157 0.000 0.958 46 G HN 0.604 nan 8.290 nan 0.000 0.499 47 Q N 1.529 121.487 119.800 0.263 0.000 2.304 47 Q HA 0.137 4.477 4.340 -0.000 0.000 0.260 47 Q C 0.810 177.014 176.000 0.341 0.000 0.965 47 Q CA -0.531 55.407 55.803 0.224 0.000 0.898 47 Q CB 1.768 30.558 28.738 0.087 0.000 1.196 47 Q HN 0.404 nan 8.270 nan 0.000 0.402 48 K N 1.940 122.423 120.400 0.138 0.000 2.057 48 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 48 K C 0.434 177.039 176.600 0.008 0.000 1.049 48 K CA 1.376 57.596 56.287 -0.110 0.000 0.931 48 K CB -0.006 32.351 32.500 -0.239 0.000 0.714 48 K HN 0.572 nan 8.250 nan 0.000 0.440 49 K N 0.068 120.480 120.400 0.021 0.000 2.156 49 K HA 0.609 4.929 4.320 -0.000 0.000 0.254 49 K C -0.644 175.957 176.600 0.001 0.000 0.950 49 K CA -0.684 55.614 56.287 0.019 0.000 0.849 49 K CB 2.186 34.686 32.500 0.000 0.000 1.100 49 K HN -0.142 nan 8.250 nan 0.000 0.434 50 A N 1.288 124.096 122.820 -0.020 0.000 2.252 50 A HA 0.319 4.639 4.320 -0.000 0.000 0.305 50 A C -0.483 177.063 177.584 -0.063 0.000 1.097 50 A CA -0.778 51.214 52.037 -0.075 0.000 0.849 50 A CB 0.934 19.868 19.000 -0.110 0.000 1.142 50 A HN 0.590 nan 8.150 nan 0.000 0.499 51 K N 0.740 121.084 120.400 -0.093 0.000 2.412 51 K HA 0.206 4.526 4.320 -0.000 0.000 0.281 51 K C -1.977 174.589 176.600 -0.057 0.000 1.027 51 K CA -0.690 55.551 56.287 -0.077 0.000 0.989 51 K CB 0.517 32.952 32.500 -0.108 0.000 0.935 51 K HN 0.586 nan 8.250 nan 0.000 0.475 52 P HA -0.057 nan 4.420 nan 0.000 0.216 52 P C 0.608 177.898 177.300 -0.017 0.000 1.150 52 P CA 1.285 64.374 63.100 -0.018 0.000 0.843 52 P CB 0.149 31.842 31.700 -0.011 0.000 0.787 53 G N -0.071 108.716 108.800 -0.022 0.000 4.464 53 G HA2 0.178 4.138 3.960 -0.000 0.000 0.297 53 G HA3 0.178 4.138 3.960 -0.000 0.000 0.297 53 G C -0.313 174.569 174.900 -0.030 0.000 1.342 53 G CA -0.160 44.933 45.100 -0.011 0.000 1.335 53 G HN -0.004 nan 8.290 nan 0.000 0.609 54 Q N 0.809 120.572 119.800 -0.061 0.000 2.333 54 Q HA 0.278 4.618 4.340 -0.000 0.000 0.267 54 Q C -0.233 175.718 176.000 -0.081 0.000 1.012 54 Q CA -0.587 55.133 55.803 -0.138 0.000 0.824 54 Q CB 2.630 31.233 28.738 -0.225 0.000 1.290 54 Q HN 0.544 nan 8.270 nan 0.000 0.449 55 D N 0.521 120.890 120.400 -0.051 0.000 2.504 55 D HA 0.009 4.649 4.640 -0.000 0.000 0.276 55 D C 0.509 176.867 176.300 0.095 0.000 1.073 55 D CA 0.214 54.245 54.000 0.052 0.000 0.905 55 D CB -0.130 40.738 40.800 0.113 0.000 1.350 55 D HN 0.360 nan 8.370 nan 0.000 0.496 56 F N 0.146 120.107 119.950 0.019 0.000 2.403 56 F HA 0.608 5.135 4.527 -0.000 0.000 0.326 56 F C -0.343 175.503 175.800 0.076 0.000 1.081 56 F CA -1.978 56.047 58.000 0.043 0.000 1.041 56 F CB 0.691 39.698 39.000 0.011 0.000 1.234 56 F HN -0.217 nan 8.300 nan 0.000 0.503 57 F N 4.597 124.579 119.950 0.054 0.000 2.421 57 F HA 0.522 5.049 4.527 -0.000 0.000 0.358 57 F C -2.539 173.251 175.800 -0.017 0.000 1.115 57 F CA -3.491 54.466 58.000 -0.072 0.000 1.160 57 F CB 0.363 39.361 39.000 -0.004 0.000 1.123 57 F HN 0.271 nan 8.300 nan 0.000 0.508 58 P HA 0.321 nan 4.420 nan 0.000 0.291 58 P C -1.474 175.297 177.300 -0.880 0.000 1.340 58 P CA -0.323 62.435 63.100 -0.570 0.000 0.799 58 P CB 1.497 32.937 31.700 -0.433 0.000 0.917 59 L N 3.085 123.925 121.223 -0.638 0.000 2.406 59 L HA 0.650 4.990 4.340 -0.000 0.000 0.272 59 L C -0.734 176.018 176.870 -0.196 0.000 0.980 59 L CA -0.097 54.450 54.840 -0.488 0.000 0.831 59 L CB 2.361 44.164 42.059 -0.427 0.000 1.253 59 L HN 0.331 nan 8.230 nan 0.000 0.406 60 T N 4.858 119.327 114.554 -0.141 0.000 2.906 60 T HA 0.641 4.991 4.350 -0.000 0.000 0.302 60 T C -1.405 173.273 174.700 -0.038 0.000 1.002 60 T CA -0.356 61.702 62.100 -0.069 0.000 0.988 60 T CB 0.638 69.471 68.868 -0.059 0.000 0.972 60 T HN 0.331 nan 8.240 nan 0.000 0.447 61 V N 6.681 126.589 119.914 -0.010 0.000 2.357 61 V HA 0.513 4.633 4.120 -0.000 0.000 0.284 61 V C -0.313 175.798 176.094 0.029 0.000 1.018 61 V CA -1.082 61.226 62.300 0.012 0.000 0.841 61 V CB 1.099 32.938 31.823 0.027 0.000 0.991 61 V HN 0.964 nan 8.190 nan 0.000 0.437 62 N N 3.641 122.362 118.700 0.036 0.000 2.479 62 N HA 0.305 5.045 4.740 -0.000 0.000 0.261 62 N C -1.195 174.368 175.510 0.088 0.000 0.979 62 N CA -0.700 52.380 53.050 0.050 0.000 0.930 62 N CB 1.074 39.572 38.487 0.018 0.000 1.172 62 N HN 0.605 nan 8.380 nan 0.000 0.499 63 Y N 2.385 122.675 120.300 -0.017 0.000 2.341 63 Y HA 0.287 4.837 4.550 -0.000 0.000 0.340 63 Y C -0.549 175.343 175.900 -0.013 0.000 0.997 63 Y CA -0.607 57.484 58.100 -0.015 0.000 1.149 63 Y CB 0.986 39.435 38.460 -0.018 0.000 1.171 63 Y HN 0.656 nan 8.280 nan 0.000 0.494 64 Q N 4.374 123.863 119.800 -0.517 0.000 2.337 64 Q HA 0.483 4.823 4.340 -0.000 0.000 0.270 64 Q C -1.568 174.096 176.000 -0.559 0.000 1.043 64 Q CA -0.945 54.611 55.803 -0.411 0.000 0.794 64 Q CB 2.343 30.970 28.738 -0.185 0.000 1.281 64 Q HN 0.671 nan 8.270 nan 0.000 0.446 65 E N 2.526 122.480 120.200 -0.411 0.000 2.197 65 E HA 0.374 4.724 4.350 -0.000 0.000 0.281 65 E C -0.835 175.635 176.600 -0.217 0.000 0.995 65 E CA -0.648 55.566 56.400 -0.310 0.000 0.808 65 E CB 1.544 31.137 29.700 -0.178 0.000 1.093 65 E HN 0.382 nan 8.360 nan 0.000 0.394 66 R N 0.983 121.321 120.500 -0.271 0.000 2.514 66 R HA 0.187 4.527 4.340 -0.000 0.000 0.301 66 R C 1.013 177.105 176.300 -0.348 0.000 0.962 66 R CA -0.265 55.644 56.100 -0.318 0.000 0.882 66 R CB 1.316 31.314 30.300 -0.503 0.000 1.143 66 R HN 0.634 nan 8.270 nan 0.000 0.452 67 T N -1.312 113.131 114.554 -0.184 0.000 2.951 67 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 67 T C 1.688 176.352 174.700 -0.060 0.000 1.073 67 T CA 1.028 63.077 62.100 -0.085 0.000 1.134 67 T CB -0.327 68.543 68.868 0.005 0.000 0.884 67 T HN 0.765 nan 8.240 nan 0.000 0.479 68 Y N 1.076 121.369 120.300 -0.012 0.000 2.616 68 Y HA 0.604 5.154 4.550 -0.000 0.000 0.296 68 Y C 2.393 178.286 175.900 -0.012 0.000 1.154 68 Y CA -0.414 57.679 58.100 -0.012 0.000 1.325 68 Y CB -0.770 37.680 38.460 -0.016 0.000 1.007 68 Y HN 0.239 nan 8.280 nan 0.000 0.542 69 A N 1.162 123.800 122.820 -0.304 0.000 1.969 69 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 69 A C 2.367 179.917 177.584 -0.055 0.000 1.169 69 A CA 1.533 53.461 52.037 -0.181 0.000 0.635 69 A CB -0.981 17.867 19.000 -0.252 0.000 0.810 69 A HN 0.614 nan 8.150 nan 0.000 0.445 70 A N -2.173 120.620 122.820 -0.045 0.000 1.997 70 A HA 0.444 4.764 4.320 -0.000 0.000 0.212 70 A C 1.608 179.201 177.584 0.014 0.000 1.178 70 A CA 1.291 53.322 52.037 -0.011 0.000 0.698 70 A CB -0.345 18.647 19.000 -0.014 0.000 0.842 70 A HN 1.863 nan 8.150 nan 0.000 0.458 71 G N -0.784 108.035 108.800 0.032 0.000 2.237 71 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.153 71 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.153 71 G C -0.179 174.746 174.900 0.042 0.000 1.039 71 G CA -0.123 45.007 45.100 0.049 0.000 0.719 71 G HN 0.511 nan 8.290 nan 0.000 0.491 72 R N -0.957 119.569 120.500 0.045 0.000 2.837 72 R HA 0.685 5.025 4.340 -0.000 0.000 0.271 72 R C -0.221 176.108 176.300 0.049 0.000 0.993 72 R CA -1.066 55.056 56.100 0.037 0.000 0.931 72 R CB 1.738 32.053 30.300 0.024 0.000 1.206 72 R HN 0.185 nan 8.270 nan 0.000 0.474 73 I N 3.531 124.125 120.570 0.039 0.000 2.342 73 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 73 I C -1.713 174.427 176.117 0.038 0.000 1.010 73 I CA -2.041 59.284 61.300 0.041 0.000 1.308 73 I CB 1.233 39.249 38.000 0.028 0.000 1.400 73 I HN 0.250 nan 8.210 nan 0.000 0.488 74 P HA 0.034 nan 4.420 nan 0.000 0.265 74 P C 0.189 177.518 177.300 0.047 0.000 1.193 74 P CA -0.220 62.906 63.100 0.044 0.000 0.765 74 P CB 0.546 32.278 31.700 0.053 0.000 0.823 75 G N 1.081 109.910 108.800 0.048 0.000 3.101 75 G HA2 0.336 4.296 3.960 -0.000 0.000 0.272 75 G HA3 0.336 4.296 3.960 -0.000 0.000 0.272 75 G C 0.013 174.959 174.900 0.078 0.000 0.801 75 G CA -0.039 45.094 45.100 0.054 0.000 1.978 75 G HN 0.562 nan 8.290 nan 0.000 0.591 76 S N 0.775 116.531 115.700 0.094 0.000 2.618 76 S HA 0.474 4.944 4.470 -0.000 0.000 0.277 76 S C 0.420 175.120 174.600 0.166 0.000 1.138 76 S CA -0.690 57.600 58.200 0.150 0.000 0.844 76 S CB 1.087 64.388 63.200 0.168 0.000 1.127 76 S HN 0.311 nan 8.310 nan 0.000 0.474 77 F N 1.752 121.738 119.950 0.060 0.000 2.206 77 F HA 0.156 4.683 4.527 -0.000 0.000 0.298 77 F C 1.113 176.840 175.800 -0.122 0.000 1.090 77 F CA 1.479 59.452 58.000 -0.047 0.000 1.323 77 F CB -0.050 38.892 39.000 -0.096 0.000 1.028 77 F HN 0.659 nan 8.300 nan 0.000 0.492 78 F N -0.025 119.965 119.950 0.067 0.000 2.710 78 F HA 0.104 4.631 4.527 -0.000 0.000 0.298 78 F C 1.334 177.106 175.800 -0.046 0.000 1.137 78 F CA 0.607 58.597 58.000 -0.017 0.000 1.444 78 F CB -0.065 38.970 39.000 0.058 0.000 1.111 78 F HN -0.193 nan 8.300 nan 0.000 0.580 79 R N 0.743 121.315 120.500 0.120 0.000 3.776 79 R HA -0.228 4.112 4.340 -0.000 0.000 0.312 79 R C -0.414 175.933 176.300 0.079 0.000 1.181 79 R CA 0.831 56.966 56.100 0.059 0.000 0.836 79 R CB -1.552 28.740 30.300 -0.013 0.000 1.324 79 R HN 0.567 nan 8.270 nan 0.000 0.501 80 R N -2.017 118.549 120.500 0.110 0.000 2.752 80 R HA 0.569 4.909 4.340 -0.000 0.000 0.271 80 R C -1.242 175.099 176.300 0.069 0.000 1.026 80 R CA -1.159 54.990 56.100 0.083 0.000 0.901 80 R CB 0.625 30.968 30.300 0.072 0.000 1.243 80 R HN -0.054 nan 8.270 nan 0.000 0.463 81 E N 0.649 120.878 120.200 0.048 0.000 2.328 81 E HA 0.168 4.518 4.350 -0.000 0.000 0.265 81 E C 0.448 177.051 176.600 0.005 0.000 1.057 81 E CA 0.796 57.210 56.400 0.023 0.000 0.916 81 E CB 1.026 30.730 29.700 0.007 0.000 0.993 81 E HN 0.688 nan 8.360 nan 0.000 0.446 82 G N 4.093 112.894 108.800 0.001 0.000 3.056 82 G HA2 0.020 3.980 3.960 -0.000 0.000 0.175 82 G HA3 0.020 3.980 3.960 -0.000 0.000 0.175 82 G C -0.229 174.654 174.900 -0.028 0.000 1.894 82 G CA -0.313 44.770 45.100 -0.029 0.000 0.910 82 G HN 0.524 nan 8.290 nan 0.000 0.462 83 R N 0.357 120.844 120.500 -0.020 0.000 2.711 83 R HA 0.515 4.855 4.340 -0.000 0.000 0.284 83 R C -2.957 173.340 176.300 -0.004 0.000 0.968 83 R CA -1.622 54.469 56.100 -0.015 0.000 0.924 83 R CB 0.890 31.180 30.300 -0.016 0.000 1.162 83 R HN 0.081 nan 8.270 nan 0.000 0.465 84 P HA -0.110 nan 4.420 nan 0.000 0.261 84 P C -0.151 177.160 177.300 0.018 0.000 1.158 84 P CA 0.441 63.547 63.100 0.009 0.000 0.758 84 P CB 0.553 32.264 31.700 0.019 0.000 0.763 85 S N 1.546 117.260 115.700 0.024 0.000 2.552 85 S HA 0.194 4.664 4.470 -0.000 0.000 0.271 85 S C 1.141 175.756 174.600 0.025 0.000 1.168 85 S CA -0.511 57.704 58.200 0.025 0.000 1.026 85 S CB 0.441 63.657 63.200 0.028 0.000 1.120 85 S HN 0.465 nan 8.310 nan 0.000 0.514 86 E N 0.427 120.638 120.200 0.018 0.000 2.106 86 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 86 E C 2.087 178.694 176.600 0.011 0.000 0.984 86 E CA 0.949 57.353 56.400 0.006 0.000 0.806 86 E CB -0.684 29.012 29.700 -0.007 0.000 0.750 86 E HN 0.802 nan 8.360 nan 0.000 0.458 87 G N 1.195 110.012 108.800 0.028 0.000 2.394 87 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.214 87 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.214 87 G C 1.279 176.221 174.900 0.071 0.000 1.176 87 G CA 0.285 45.407 45.100 0.038 0.000 0.786 87 G HN 0.159 nan 8.290 nan 0.000 0.533 88 E N 0.109 120.378 120.200 0.114 0.000 2.204 88 E HA -0.086 4.264 4.350 -0.000 0.000 0.195 88 E C 2.596 179.310 176.600 0.189 0.000 0.990 88 E CA 1.342 57.879 56.400 0.228 0.000 0.821 88 E CB -0.085 29.698 29.700 0.138 0.000 0.750 88 E HN 0.370 nan 8.360 nan 0.000 0.477 89 T N 1.015 115.615 114.554 0.078 0.000 2.985 89 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 89 T C 1.918 176.610 174.700 -0.014 0.000 1.076 89 T CA 0.457 62.577 62.100 0.034 0.000 1.135 89 T CB 0.004 68.876 68.868 0.008 0.000 0.890 89 T HN 0.074 nan 8.240 nan 0.000 0.480 90 L N 0.043 121.247 121.223 -0.032 0.000 2.056 90 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 90 L C 2.208 179.006 176.870 -0.121 0.000 1.078 90 L CA 1.000 55.793 54.840 -0.078 0.000 0.749 90 L CB -0.447 41.570 42.059 -0.070 0.000 0.901 90 L HN 0.201 nan 8.230 nan 0.000 0.433 91 I N -0.152 120.313 120.570 -0.176 0.000 2.439 91 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 91 I C 2.675 178.616 176.117 -0.293 0.000 1.139 91 I CA 1.175 62.257 61.300 -0.363 0.000 1.438 91 I CB -0.562 36.936 38.000 -0.838 0.000 1.085 91 I HN 0.116 nan 8.210 nan 0.000 0.427 92 A N 0.476 123.220 122.820 -0.126 0.000 1.933 92 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 92 A C 2.442 180.003 177.584 -0.037 0.000 1.175 92 A CA 1.575 53.606 52.037 -0.010 0.000 0.628 92 A CB -0.530 18.512 19.000 0.071 0.000 0.814 92 A HN 0.323 nan 8.150 nan 0.000 0.444 93 R N -1.529 118.933 120.500 -0.063 0.000 2.148 93 R HA 0.043 4.383 4.340 -0.000 0.000 0.223 93 R C 1.863 178.119 176.300 -0.073 0.000 1.088 93 R CA 0.925 56.983 56.100 -0.070 0.000 0.985 93 R CB -0.301 29.937 30.300 -0.103 0.000 0.880 93 R HN 0.447 nan 8.270 nan 0.000 0.451 94 L N 0.516 121.680 121.223 -0.097 0.000 2.291 94 L HA -0.034 4.306 4.340 -0.000 0.000 0.214 94 L C 1.658 178.488 176.870 -0.065 0.000 1.120 94 L CA 1.454 56.239 54.840 -0.092 0.000 0.799 94 L CB 0.114 42.097 42.059 -0.125 0.000 0.925 94 L HN 0.119 nan 8.230 nan 0.000 0.446 95 I N -1.564 118.969 120.570 -0.062 0.000 2.628 95 I HA -0.095 4.075 4.170 -0.000 0.000 0.255 95 I C 1.954 178.086 176.117 0.025 0.000 1.119 95 I CA 0.710 61.996 61.300 -0.023 0.000 1.448 95 I CB -0.238 37.747 38.000 -0.025 0.000 1.133 95 I HN 0.134 nan 8.210 nan 0.000 0.438 96 D N 1.188 121.603 120.400 0.024 0.000 2.183 96 D HA -0.159 4.481 4.640 -0.000 0.000 0.203 96 D C 2.253 178.602 176.300 0.081 0.000 0.969 96 D CA 1.182 55.220 54.000 0.063 0.000 0.842 96 D CB 0.064 40.887 40.800 0.038 0.000 0.957 96 D HN 0.063 nan 8.370 nan 0.000 0.484 97 R N -0.107 120.416 120.500 0.038 0.000 2.070 97 R HA -0.074 4.266 4.340 -0.000 0.000 0.233 97 R C -0.670 175.663 176.300 0.055 0.000 1.137 97 R CA 1.704 57.823 56.100 0.033 0.000 0.945 97 R CB -0.902 29.392 30.300 -0.010 0.000 0.845 97 R HN 0.308 nan 8.270 nan 0.000 0.430 98 P HA -0.084 nan 4.420 nan 0.000 0.224 98 P C 1.376 178.722 177.300 0.077 0.000 1.157 98 P CA 1.172 64.300 63.100 0.047 0.000 0.799 98 P CB -0.176 31.546 31.700 0.036 0.000 0.809 99 I N -2.939 117.729 120.570 0.163 0.000 2.876 99 I HA 0.097 4.267 4.170 -0.000 0.000 0.264 99 I C 2.688 179.028 176.117 0.371 0.000 1.204 99 I CA 0.487 61.968 61.300 0.302 0.000 1.485 99 I CB -0.586 37.658 38.000 0.407 0.000 1.103 99 I HN -0.261 nan 8.210 nan 0.000 0.446 100 R N 1.916 122.626 120.500 0.349 0.000 2.073 100 R HA -0.038 4.302 4.340 -0.000 0.000 0.234 100 R C -0.482 175.996 176.300 0.296 0.000 1.134 100 R CA 1.782 58.148 56.100 0.443 0.000 0.952 100 R CB -1.113 29.376 30.300 0.315 0.000 0.850 100 R HN 0.334 nan 8.270 nan 0.000 0.433 101 P HA -0.040 nan 4.420 nan 0.000 0.233 101 P C 0.731 177.982 177.300 -0.081 0.000 1.167 101 P CA 0.872 63.993 63.100 0.035 0.000 0.770 101 P CB 0.082 31.789 31.700 0.012 0.000 0.837 102 L N -2.449 118.652 121.223 -0.204 0.000 2.240 102 L HA 0.017 4.357 4.340 -0.000 0.000 0.211 102 L C 0.846 177.364 176.870 -0.586 0.000 1.106 102 L CA 0.242 54.767 54.840 -0.524 0.000 0.793 102 L CB -0.578 40.878 42.059 -1.006 0.000 0.927 102 L HN -0.105 nan 8.230 nan 0.000 0.446 103 F N 1.677 121.413 119.950 -0.357 0.000 2.538 103 F HA 0.128 4.655 4.527 -0.000 0.000 0.371 103 F C -1.410 174.167 175.800 -0.373 0.000 1.087 103 F CA -2.281 55.448 58.000 -0.451 0.000 1.250 103 F CB -0.317 38.255 39.000 -0.713 0.000 1.110 103 F HN -0.122 nan 8.300 nan 0.000 0.570 104 P HA -0.047 nan 4.420 nan 0.000 0.268 104 P C -0.595 176.741 177.300 0.061 0.000 1.205 104 P CA -0.269 62.823 63.100 -0.014 0.000 0.771 104 P CB 0.613 32.379 31.700 0.111 0.000 0.858 105 E N 0.966 121.232 120.200 0.111 0.000 2.324 105 E HA 0.295 4.645 4.350 -0.000 0.000 0.271 105 E C 0.956 177.711 176.600 0.258 0.000 1.028 105 E CA 0.461 56.946 56.400 0.142 0.000 0.890 105 E CB -0.415 29.356 29.700 0.117 0.000 1.004 105 E HN 0.769 nan 8.360 nan 0.000 0.431 106 G N 4.215 113.173 108.800 0.264 0.000 2.284 106 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.201 106 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.201 106 G C -0.143 175.030 174.900 0.456 0.000 0.998 106 G CA -0.198 45.116 45.100 0.357 0.000 0.651 106 G HN 0.556 nan 8.290 nan 0.000 0.489 107 F N 2.742 122.762 119.950 0.115 0.000 2.506 107 F HA 0.469 4.996 4.527 -0.000 0.000 0.371 107 F C 1.396 177.188 175.800 -0.014 0.000 1.078 107 F CA 0.491 58.365 58.000 -0.210 0.000 1.195 107 F CB 1.444 40.030 39.000 -0.691 0.000 1.099 107 F HN 0.367 nan 8.300 nan 0.000 0.548 108 V N 1.572 121.247 119.914 -0.399 0.000 3.346 108 V HA 0.321 4.441 4.120 -0.000 0.000 0.309 108 V C 0.211 176.063 176.094 -0.404 0.000 1.457 108 V CA -0.548 61.612 62.300 -0.233 0.000 1.069 108 V CB -0.704 31.034 31.823 -0.142 0.000 0.944 108 V HN 0.608 nan 8.190 nan 0.000 0.449 109 N N 2.856 121.073 118.700 -0.805 0.000 2.518 109 N HA 0.166 4.906 4.740 -0.000 0.000 0.266 109 N C -0.051 175.281 175.510 -0.296 0.000 1.196 109 N CA 0.254 52.982 53.050 -0.537 0.000 0.947 109 N CB 1.099 39.230 38.487 -0.593 0.000 1.098 109 N HN 0.674 nan 8.380 nan 0.000 0.450 110 E N 1.506 121.581 120.200 -0.209 0.000 2.217 110 E HA 0.228 4.578 4.350 -0.000 0.000 0.279 110 E C -0.791 175.735 176.600 -0.123 0.000 1.068 110 E CA -0.563 55.713 56.400 -0.206 0.000 0.882 110 E CB 0.362 29.964 29.700 -0.162 0.000 1.039 110 E HN 0.359 nan 8.360 nan 0.000 0.418 111 V N 2.038 121.844 119.914 -0.180 0.000 2.735 111 V HA 0.558 4.678 4.120 -0.000 0.000 0.310 111 V C -0.885 175.128 176.094 -0.135 0.000 1.061 111 V CA -0.958 61.278 62.300 -0.107 0.000 0.913 111 V CB 1.509 33.301 31.823 -0.051 0.000 1.005 111 V HN 0.752 nan 8.190 nan 0.000 0.428 112 Q N 2.214 121.969 119.800 -0.076 0.000 2.397 112 Q HA 0.851 5.191 4.340 -0.000 0.000 0.275 112 Q C -1.890 174.083 176.000 -0.045 0.000 1.090 112 Q CA -1.018 54.747 55.803 -0.064 0.000 0.809 112 Q CB 2.781 31.486 28.738 -0.054 0.000 1.362 112 Q HN 0.581 nan 8.270 nan 0.000 0.431 113 V N 3.652 123.546 119.914 -0.034 0.000 2.350 113 V HA 0.395 4.515 4.120 -0.000 0.000 0.285 113 V C -0.481 175.600 176.094 -0.022 0.000 1.014 113 V CA -0.515 61.764 62.300 -0.036 0.000 0.831 113 V CB 0.990 32.798 31.823 -0.025 0.000 1.000 113 V HN 0.717 nan 8.190 nan 0.000 0.433 114 I N 4.665 125.213 120.570 -0.036 0.000 2.306 114 I HA 0.609 4.779 4.170 -0.000 0.000 0.288 114 I C 0.541 176.643 176.117 -0.025 0.000 1.036 114 I CA -0.180 61.108 61.300 -0.019 0.000 1.221 114 I CB 1.272 39.266 38.000 -0.011 0.000 1.385 114 I HN 0.634 nan 8.210 nan 0.000 0.472 115 A N 4.508 127.338 122.820 0.016 0.000 2.258 115 A HA 0.647 4.967 4.320 -0.000 0.000 0.316 115 A C -0.113 177.464 177.584 -0.011 0.000 1.279 115 A CA -0.418 51.644 52.037 0.041 0.000 0.876 115 A CB 0.995 20.087 19.000 0.154 0.000 1.170 115 A HN 0.561 nan 8.150 nan 0.000 0.520 116 T N 2.065 116.620 114.554 0.002 0.000 2.824 116 T HA 0.492 4.842 4.350 -0.000 0.000 0.282 116 T C -0.662 174.010 174.700 -0.046 0.000 0.993 116 T CA -0.337 61.727 62.100 -0.059 0.000 0.967 116 T CB 0.698 69.582 68.868 0.026 0.000 0.960 116 T HN 0.491 nan 8.240 nan 0.000 0.441 117 V N 6.433 126.244 119.914 -0.172 0.000 2.427 117 V HA 0.265 4.385 4.120 -0.000 0.000 0.268 117 V C 1.093 177.085 176.094 -0.169 0.000 1.046 117 V CA -0.075 62.147 62.300 -0.129 0.000 0.970 117 V CB 0.994 32.719 31.823 -0.164 0.000 1.001 117 V HN 0.814 nan 8.190 nan 0.000 0.476 118 V N 3.919 123.783 119.914 -0.084 0.000 3.635 118 V HA 0.352 4.472 4.120 -0.000 0.000 0.266 118 V C 0.679 176.739 176.094 -0.057 0.000 1.316 118 V CA 0.970 63.221 62.300 -0.081 0.000 1.060 118 V CB 1.178 33.033 31.823 0.053 0.000 0.820 118 V HN 0.797 nan 8.190 nan 0.000 0.447 119 S N -0.776 114.900 115.700 -0.039 0.000 2.566 119 S HA 0.653 5.123 4.470 -0.000 0.000 0.273 119 S C -1.681 172.907 174.600 -0.022 0.000 1.157 119 S CA -0.292 57.898 58.200 -0.018 0.000 0.938 119 S CB 1.779 64.987 63.200 0.015 0.000 1.087 119 S HN 0.158 nan 8.310 nan 0.000 0.474 120 V N 4.533 124.432 119.914 -0.024 0.000 2.686 120 V HA 0.642 4.762 4.120 -0.000 0.000 0.306 120 V C -1.007 175.081 176.094 -0.008 0.000 1.065 120 V CA -0.764 61.526 62.300 -0.017 0.000 0.894 120 V CB 2.071 33.879 31.823 -0.024 0.000 1.004 120 V HN 0.948 nan 8.190 nan 0.000 0.424 121 N N 6.529 125.224 118.700 -0.007 0.000 2.422 121 N HA 0.558 5.298 4.740 -0.000 0.000 0.266 121 N C -2.044 173.465 175.510 -0.002 0.000 1.007 121 N CA -1.910 51.139 53.050 -0.003 0.000 0.941 121 N CB 2.277 40.762 38.487 -0.003 0.000 1.115 121 N HN 0.345 nan 8.380 nan 0.000 0.492 122 P HA -0.097 nan 4.420 nan 0.000 0.229 122 P C 0.445 177.750 177.300 0.009 0.000 1.150 122 P CA 0.879 63.983 63.100 0.007 0.000 0.765 122 P CB 0.391 32.097 31.700 0.010 0.000 0.783 123 Q N -1.037 118.769 119.800 0.009 0.000 2.394 123 Q HA 0.089 4.429 4.340 -0.000 0.000 0.218 123 Q C 0.161 176.162 176.000 0.001 0.000 0.907 123 Q CA 0.615 56.429 55.803 0.017 0.000 0.919 123 Q CB 0.369 29.128 28.738 0.037 0.000 1.051 123 Q HN -0.023 nan 8.270 nan 0.000 0.538 124 V N 2.346 122.240 119.914 -0.033 0.000 2.398 124 V HA 0.314 4.434 4.120 -0.000 0.000 0.286 124 V C -0.230 175.829 176.094 -0.059 0.000 1.026 124 V CA -1.144 61.098 62.300 -0.096 0.000 0.868 124 V CB 1.306 33.003 31.823 -0.210 0.000 0.982 124 V HN 0.219 nan 8.190 nan 0.000 0.443 125 N N 6.735 125.406 118.700 -0.048 0.000 2.497 125 N HA 0.229 4.969 4.740 -0.000 0.000 0.268 125 N C -1.870 173.630 175.510 -0.017 0.000 1.171 125 N CA -1.751 51.287 53.050 -0.020 0.000 0.948 125 N CB 1.829 40.308 38.487 -0.013 0.000 1.069 125 N HN 0.316 nan 8.380 nan 0.000 0.460 126 P HA 0.081 nan 4.420 nan 0.000 0.253 126 P C 0.251 177.564 177.300 0.021 0.000 1.260 126 P CA 0.139 63.265 63.100 0.044 0.000 0.800 126 P CB 0.201 31.966 31.700 0.109 0.000 1.162 127 D N 0.956 121.331 120.400 -0.042 0.000 2.149 127 D HA -0.169 4.471 4.640 -0.000 0.000 0.201 127 D C 1.716 177.959 176.300 -0.095 0.000 0.972 127 D CA 1.048 54.968 54.000 -0.135 0.000 0.835 127 D CB -1.159 39.564 40.800 -0.127 0.000 0.966 127 D HN 0.336 nan 8.370 nan 0.000 0.476 128 I N -1.681 118.869 120.570 -0.033 0.000 3.030 128 I HA 0.007 4.177 4.170 -0.000 0.000 0.270 128 I C 1.806 177.931 176.117 0.013 0.000 1.211 128 I CA 0.092 61.392 61.300 0.001 0.000 1.479 128 I CB -0.104 37.925 38.000 0.048 0.000 1.105 128 I HN -0.179 nan 8.210 nan 0.000 0.447 129 V N 2.201 122.123 119.914 0.014 0.000 2.427 129 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 129 V C 3.073 179.185 176.094 0.029 0.000 1.051 129 V CA 1.921 64.235 62.300 0.023 0.000 1.048 129 V CB -1.086 30.751 31.823 0.023 0.000 0.666 129 V HN 0.582 nan 8.190 nan 0.000 0.456 130 A N -0.687 122.155 122.820 0.037 0.000 2.014 130 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 130 A C 2.219 179.806 177.584 0.005 0.000 1.163 130 A CA 1.638 53.708 52.037 0.054 0.000 0.652 130 A CB -0.411 18.657 19.000 0.114 0.000 0.808 130 A HN 0.490 nan 8.150 nan 0.000 0.449 131 M N -0.798 118.791 119.600 -0.019 0.000 2.200 131 M HA 0.005 4.485 4.480 -0.000 0.000 0.265 131 M C 1.888 178.181 176.300 -0.012 0.000 1.066 131 M CA 1.306 56.594 55.300 -0.019 0.000 1.127 131 M CB -0.361 32.227 32.600 -0.021 0.000 1.379 131 M HN 0.371 nan 8.290 nan 0.000 0.420 132 I N -0.310 120.256 120.570 -0.007 0.000 2.315 132 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 132 I C 2.546 178.651 176.117 -0.020 0.000 1.117 132 I CA 1.174 62.468 61.300 -0.011 0.000 1.404 132 I CB -0.847 37.153 38.000 -0.000 0.000 1.071 132 I HN 0.347 nan 8.210 nan 0.000 0.419 133 G N 0.643 109.432 108.800 -0.019 0.000 2.418 133 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 133 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 133 G C 1.842 176.695 174.900 -0.079 0.000 1.158 133 G CA 0.833 45.909 45.100 -0.040 0.000 0.771 133 G HN 0.485 nan 8.290 nan 0.000 0.545 134 A N 0.256 123.032 122.820 -0.072 0.000 1.968 134 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 134 A C 2.577 180.065 177.584 -0.160 0.000 1.169 134 A CA 2.030 54.000 52.037 -0.111 0.000 0.638 134 A CB -0.580 18.378 19.000 -0.070 0.000 0.812 134 A HN 0.395 nan 8.150 nan 0.000 0.446 135 S N -0.471 115.172 115.700 -0.095 0.000 2.383 135 S HA 0.019 4.489 4.470 -0.000 0.000 0.227 135 S C 2.062 176.602 174.600 -0.101 0.000 1.026 135 S CA 1.450 59.607 58.200 -0.073 0.000 0.981 135 S CB -0.319 62.871 63.200 -0.017 0.000 0.818 135 S HN 0.738 nan 8.310 nan 0.000 0.472 136 A N 0.712 123.477 122.820 -0.092 0.000 1.935 136 A HA 0.481 4.801 4.320 -0.000 0.000 0.214 136 A C 2.339 179.852 177.584 -0.118 0.000 1.178 136 A CA 1.276 53.263 52.037 -0.083 0.000 0.640 136 A CB -1.024 17.949 19.000 -0.045 0.000 0.825 136 A HN 0.643 nan 8.150 nan 0.000 0.447 137 A N -0.229 122.500 122.820 -0.153 0.000 1.897 137 A HA 0.087 4.407 4.320 -0.000 0.000 0.215 137 A C 2.040 179.487 177.584 -0.228 0.000 1.181 137 A CA 1.231 53.164 52.037 -0.172 0.000 0.620 137 A CB -0.514 18.377 19.000 -0.182 0.000 0.821 137 A HN 0.421 nan 8.150 nan 0.000 0.443 138 L N -0.286 120.722 121.223 -0.359 0.000 2.291 138 L HA -0.078 4.262 4.340 -0.000 0.000 0.214 138 L C 2.514 179.116 176.870 -0.448 0.000 1.120 138 L CA 1.010 55.506 54.840 -0.573 0.000 0.799 138 L CB -0.091 41.231 42.059 -1.229 0.000 0.925 138 L HN 0.293 nan 8.230 nan 0.000 0.446 139 S N -0.416 115.124 115.700 -0.266 0.000 2.425 139 S HA 0.006 4.476 4.470 -0.000 0.000 0.225 139 S C 1.662 176.212 174.600 -0.084 0.000 1.024 139 S CA 0.674 58.808 58.200 -0.109 0.000 0.951 139 S CB 0.037 63.204 63.200 -0.054 0.000 0.796 139 S HN 0.199 nan 8.310 nan 0.000 0.498 140 L N 1.838 123.006 121.223 -0.091 0.000 2.567 140 L HA 0.147 4.487 4.340 -0.000 0.000 0.225 140 L C 2.237 179.084 176.870 -0.039 0.000 1.119 140 L CA 0.411 55.221 54.840 -0.050 0.000 0.871 140 L CB -0.317 41.718 42.059 -0.039 0.000 1.036 140 L HN 0.322 nan 8.230 nan 0.000 0.459 141 S N -1.297 114.350 115.700 -0.088 0.000 2.406 141 S HA 0.075 4.545 4.470 -0.000 0.000 0.228 141 S C 1.855 176.437 174.600 -0.030 0.000 1.020 141 S CA 0.785 58.939 58.200 -0.075 0.000 0.965 141 S CB -0.183 62.916 63.200 -0.170 0.000 0.798 141 S HN 0.451 nan 8.310 nan 0.000 0.488 142 G N 1.224 109.978 108.800 -0.077 0.000 2.258 142 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.233 142 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.233 142 G C 0.107 174.817 174.900 -0.316 0.000 1.006 142 G CA -0.044 45.059 45.100 0.005 0.000 0.620 142 G HN 0.593 nan 8.290 nan 0.000 0.511 143 I N 4.011 124.124 120.570 -0.762 0.000 2.668 143 I HA 0.176 4.346 4.170 -0.000 0.000 0.285 143 I C -1.404 174.408 176.117 -0.509 0.000 1.168 143 I CA -1.356 59.330 61.300 -1.023 0.000 1.424 143 I CB 0.411 37.887 38.000 -0.874 0.000 1.377 143 I HN -0.034 nan 8.210 nan 0.000 0.560 144 P HA -0.099 nan 4.420 nan 0.000 0.247 144 P C -0.823 176.264 177.300 -0.355 0.000 1.141 144 P CA 0.740 63.632 63.100 -0.347 0.000 0.858 144 P CB -0.219 31.216 31.700 -0.443 0.000 0.804 145 F N 4.010 123.686 119.950 -0.458 0.000 2.585 145 F HA 0.310 4.837 4.527 -0.000 0.000 0.319 145 F C 0.447 176.019 175.800 -0.380 0.000 1.165 145 F CA -0.870 56.779 58.000 -0.586 0.000 0.949 145 F CB 1.518 40.160 39.000 -0.597 0.000 1.218 145 F HN 0.001 nan 8.300 nan 0.000 0.453 146 N N 3.740 121.940 118.700 -0.833 0.000 2.375 146 N HA 0.138 4.878 4.740 -0.000 0.000 0.220 146 N C 0.624 175.812 175.510 -0.536 0.000 1.170 146 N CA 0.233 52.959 53.050 -0.540 0.000 0.833 146 N CB 0.415 38.644 38.487 -0.430 0.000 1.069 146 N HN 0.789 nan 8.380 nan 0.000 0.479 147 G N 1.056 109.524 108.800 -0.554 0.000 2.531 147 G HA2 0.368 4.328 3.960 -0.000 0.000 0.253 147 G HA3 0.368 4.328 3.960 -0.000 0.000 0.253 147 G C -2.268 172.589 174.900 -0.071 0.000 1.439 147 G CA -0.474 44.496 45.100 -0.216 0.000 1.056 147 G HN 0.090 nan 8.290 nan 0.000 0.555 148 P HA 0.449 nan 4.420 nan 0.000 0.280 148 P C -0.431 176.866 177.300 -0.004 0.000 1.272 148 P CA -0.539 62.589 63.100 0.047 0.000 0.819 148 P CB 1.079 32.776 31.700 -0.004 0.000 1.122 149 I N -3.156 117.430 120.570 0.027 0.000 2.750 149 I HA 0.847 5.017 4.170 -0.000 0.000 0.308 149 I C 0.149 176.248 176.117 -0.029 0.000 1.016 149 I CA -1.082 60.216 61.300 -0.004 0.000 1.098 149 I CB 1.950 39.966 38.000 0.027 0.000 1.279 149 I HN 0.275 nan 8.210 nan 0.000 0.454 150 G N 1.998 110.773 108.800 -0.041 0.000 2.410 150 G HA2 0.735 4.695 3.960 -0.000 0.000 0.330 150 G HA3 0.735 4.695 3.960 -0.000 0.000 0.330 150 G C -1.251 173.646 174.900 -0.005 0.000 1.142 150 G CA -0.824 44.243 45.100 -0.054 0.000 0.902 150 G HN 1.002 nan 8.290 nan 0.000 0.491 151 A N -0.070 122.758 122.820 0.013 0.000 2.335 151 A HA 0.893 5.213 4.320 -0.000 0.000 0.304 151 A C -0.199 177.471 177.584 0.143 0.000 1.118 151 A CA -0.143 51.928 52.037 0.057 0.000 0.757 151 A CB 1.386 20.409 19.000 0.039 0.000 1.188 151 A HN 2.057 nan 8.150 nan 0.000 0.460 152 A N 2.989 125.886 122.820 0.129 0.000 2.459 152 A HA 0.750 5.070 4.320 -0.000 0.000 0.296 152 A C -0.405 177.241 177.584 0.104 0.000 1.039 152 A CA -0.769 51.362 52.037 0.156 0.000 0.698 152 A CB 1.076 20.173 19.000 0.161 0.000 1.261 152 A HN 1.224 nan 8.150 nan 0.000 0.405 153 R N 0.953 121.510 120.500 0.094 0.000 2.532 153 R HA 0.839 5.179 4.340 -0.000 0.000 0.295 153 R C -1.372 174.996 176.300 0.114 0.000 0.968 153 R CA -0.702 55.448 56.100 0.083 0.000 0.916 153 R CB 1.950 32.284 30.300 0.057 0.000 1.124 153 R HN 0.602 nan 8.270 nan 0.000 0.463 154 V N 2.307 122.303 119.914 0.137 0.000 2.638 154 V HA 0.682 4.802 4.120 -0.000 0.000 0.306 154 V C -0.196 176.003 176.094 0.176 0.000 1.052 154 V CA -0.366 62.053 62.300 0.198 0.000 0.885 154 V CB 1.877 33.881 31.823 0.302 0.000 0.999 154 V HN 1.018 nan 8.190 nan 0.000 0.424 155 G N 3.973 112.872 108.800 0.165 0.000 2.557 155 G HA2 0.500 4.460 3.960 -0.000 0.000 0.302 155 G HA3 0.500 4.460 3.960 -0.000 0.000 0.302 155 G C -1.624 173.396 174.900 0.201 0.000 1.311 155 G CA -0.354 44.833 45.100 0.145 0.000 1.030 155 G HN 0.840 nan 8.290 nan 0.000 0.509 156 Y N 0.343 120.628 120.300 -0.026 0.000 2.544 156 Y HA 0.451 5.001 4.550 -0.000 0.000 0.347 156 Y C -0.353 175.478 175.900 -0.114 0.000 1.089 156 Y CA -0.894 57.139 58.100 -0.111 0.000 1.230 156 Y CB 0.224 38.622 38.460 -0.104 0.000 1.101 156 Y HN 0.302 nan 8.280 nan 0.000 0.641 157 I N 4.096 124.513 120.570 -0.255 0.000 2.365 157 I HA 0.155 4.325 4.170 -0.000 0.000 0.291 157 I C 0.108 176.016 176.117 -0.348 0.000 1.004 157 I CA -0.834 60.333 61.300 -0.222 0.000 1.311 157 I CB 0.842 38.765 38.000 -0.128 0.000 1.401 157 I HN 0.708 nan 8.210 nan 0.000 0.491 158 N N 3.866 122.402 118.700 -0.273 0.000 2.698 158 N HA -0.300 4.440 4.740 -0.000 0.000 0.258 158 N C -0.449 174.824 175.510 -0.394 0.000 0.978 158 N CA 1.062 53.955 53.050 -0.262 0.000 0.777 158 N CB -1.725 36.660 38.487 -0.170 0.000 0.907 158 N HN 0.760 nan 8.380 nan 0.000 0.543 159 D N -1.899 118.100 120.400 -0.668 0.000 2.699 159 D HA -0.171 4.469 4.640 -0.000 0.000 0.239 159 D C -0.873 174.905 176.300 -0.870 0.000 1.136 159 D CA 1.240 54.719 54.000 -0.868 0.000 0.668 159 D CB -0.711 39.898 40.800 -0.319 0.000 1.060 159 D HN 0.731 nan 8.370 nan 0.000 0.429 160 Q N -0.376 118.782 119.800 -1.071 0.000 2.320 160 Q HA 0.253 4.593 4.340 -0.000 0.000 0.272 160 Q C -0.662 174.933 176.000 -0.674 0.000 1.023 160 Q CA -0.552 54.823 55.803 -0.713 0.000 0.855 160 Q CB 1.110 29.616 28.738 -0.386 0.000 1.367 160 Q HN 0.178 nan 8.270 nan 0.000 0.406 161 Y N 0.441 120.513 120.300 -0.380 0.000 2.402 161 Y HA 0.362 4.912 4.550 -0.000 0.000 0.333 161 Y C 0.564 176.226 175.900 -0.396 0.000 1.076 161 Y CA -0.527 57.309 58.100 -0.440 0.000 1.299 161 Y CB 0.813 38.710 38.460 -0.938 0.000 1.197 161 Y HN 0.166 nan 8.280 nan 0.000 0.517 162 V N 5.683 125.609 119.914 0.020 0.000 2.409 162 V HA 0.194 4.314 4.120 -0.000 0.000 0.291 162 V C -0.435 175.793 176.094 0.223 0.000 1.020 162 V CA -0.973 61.388 62.300 0.101 0.000 0.848 162 V CB 1.562 33.404 31.823 0.031 0.000 0.990 162 V HN 0.558 nan 8.190 nan 0.000 0.430 163 L N 6.163 127.564 121.223 0.297 0.000 2.410 163 L HA 0.428 4.768 4.340 -0.000 0.000 0.273 163 L C 0.535 177.447 176.870 0.069 0.000 1.144 163 L CA 0.540 55.500 54.840 0.200 0.000 0.863 163 L CB -0.227 41.884 42.059 0.087 0.000 1.140 163 L HN 0.781 nan 8.230 nan 0.000 0.463 164 N N 3.280 122.017 118.700 0.062 0.000 2.614 164 N HA -0.162 4.578 4.740 -0.000 0.000 0.276 164 N C -2.467 173.098 175.510 0.092 0.000 1.119 164 N CA 0.519 53.603 53.050 0.056 0.000 0.742 164 N CB -1.208 37.289 38.487 0.016 0.000 0.900 164 N HN 0.476 nan 8.380 nan 0.000 0.549 165 P HA 0.186 nan 4.420 nan 0.000 0.278 165 P C 0.488 177.832 177.300 0.074 0.000 1.238 165 P CA -0.372 62.772 63.100 0.073 0.000 0.794 165 P CB 0.618 32.352 31.700 0.057 0.000 0.955 166 T N -1.154 113.446 114.554 0.077 0.000 2.754 166 T HA 0.061 4.411 4.350 -0.000 0.000 0.286 166 T C 1.220 175.944 174.700 0.040 0.000 0.997 166 T CA -0.117 62.022 62.100 0.065 0.000 0.982 166 T CB 0.363 69.275 68.868 0.073 0.000 1.027 166 T HN 0.216 nan 8.240 nan 0.000 0.529 167 Q N -0.005 119.814 119.800 0.031 0.000 2.224 167 Q HA -0.085 4.255 4.340 -0.000 0.000 0.203 167 Q C 1.557 177.570 176.000 0.023 0.000 0.970 167 Q CA 1.671 57.488 55.803 0.024 0.000 0.865 167 Q CB -0.474 28.276 28.738 0.020 0.000 0.922 167 Q HN 0.722 nan 8.270 nan 0.000 0.445 168 D N -0.423 119.991 120.400 0.023 0.000 2.234 168 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 168 D C 1.023 177.332 176.300 0.016 0.000 0.962 168 D CA 0.733 54.744 54.000 0.018 0.000 0.855 168 D CB 0.146 40.956 40.800 0.017 0.000 0.951 168 D HN 0.473 nan 8.370 nan 0.000 0.500 169 E N -0.149 120.063 120.200 0.020 0.000 2.318 169 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 169 E C 1.790 178.401 176.600 0.019 0.000 0.998 169 E CA -0.125 56.284 56.400 0.016 0.000 0.859 169 E CB 0.275 29.987 29.700 0.020 0.000 0.812 169 E HN 0.062 nan 8.360 nan 0.000 0.492 170 L N 1.951 123.188 121.223 0.024 0.000 2.156 170 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 170 L C 2.137 179.021 176.870 0.023 0.000 1.095 170 L CA 1.627 56.483 54.840 0.027 0.000 0.770 170 L CB -0.088 41.988 42.059 0.028 0.000 0.914 170 L HN -0.040 nan 8.230 nan 0.000 0.439 171 K N -1.827 118.584 120.400 0.018 0.000 2.365 171 K HA -0.058 4.262 4.320 -0.000 0.000 0.199 171 K C 1.295 177.902 176.600 0.011 0.000 1.045 171 K CA 0.990 57.286 56.287 0.016 0.000 0.962 171 K CB -0.163 32.346 32.500 0.015 0.000 0.759 171 K HN 0.277 nan 8.250 nan 0.000 0.469 172 E N 1.493 121.698 120.200 0.008 0.000 2.340 172 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 172 E C 0.535 177.135 176.600 -0.000 0.000 0.996 172 E CA 0.402 56.802 56.400 -0.001 0.000 0.869 172 E CB 0.490 30.185 29.700 -0.009 0.000 0.835 172 E HN 0.431 nan 8.360 nan 0.000 0.493 173 S N 0.023 115.731 115.700 0.012 0.000 2.652 173 S HA 0.240 4.710 4.470 -0.000 0.000 0.270 173 S C 0.830 175.458 174.600 0.047 0.000 1.243 173 S CA -0.702 57.515 58.200 0.029 0.000 0.999 173 S CB 2.147 65.373 63.200 0.044 0.000 0.973 173 S HN -0.186 nan 8.310 nan 0.000 0.544 174 K N -0.334 120.117 120.400 0.085 0.000 2.355 174 K HA 0.385 4.705 4.320 -0.000 0.000 0.198 174 K C -0.224 176.412 176.600 0.060 0.000 1.039 174 K CA -0.184 56.148 56.287 0.076 0.000 1.075 174 K CB -0.269 32.294 32.500 0.106 0.000 0.870 174 K HN 0.610 nan 8.250 nan 0.000 0.540 175 L N 0.870 122.144 121.223 0.085 0.000 2.401 175 L HA 0.651 4.991 4.340 -0.000 0.000 0.266 175 L C -2.063 174.845 176.870 0.062 0.000 0.991 175 L CA -0.457 54.417 54.840 0.056 0.000 0.818 175 L CB 2.463 44.555 42.059 0.055 0.000 1.321 175 L HN -0.048 nan 8.230 nan 0.000 0.413 176 D N 3.895 124.317 120.400 0.037 0.000 2.323 176 D HA 0.441 5.081 4.640 -0.000 0.000 0.242 176 D C -1.804 174.508 176.300 0.021 0.000 1.347 176 D CA -0.157 53.865 54.000 0.036 0.000 0.988 176 D CB 0.748 41.563 40.800 0.024 0.000 1.314 176 D HN 0.529 nan 8.370 nan 0.000 0.564 177 L N 0.861 122.106 121.223 0.036 0.000 2.386 177 L HA 0.837 5.177 4.340 -0.000 0.000 0.271 177 L C -1.296 175.593 176.870 0.031 0.000 0.993 177 L CA -1.003 53.849 54.840 0.020 0.000 0.819 177 L CB 2.033 44.102 42.059 0.016 0.000 1.294 177 L HN -0.047 nan 8.230 nan 0.000 0.414 178 V N 3.661 123.581 119.914 0.010 0.000 2.370 178 V HA 0.595 4.715 4.120 -0.000 0.000 0.283 178 V C -0.091 176.013 176.094 0.016 0.000 1.023 178 V CA -0.575 61.735 62.300 0.016 0.000 0.857 178 V CB 1.457 33.277 31.823 -0.006 0.000 0.985 178 V HN 0.719 nan 8.190 nan 0.000 0.443 179 V N 4.823 124.761 119.914 0.040 0.000 2.581 179 V HA 0.965 5.085 4.120 -0.000 0.000 0.303 179 V C 0.056 176.182 176.094 0.054 0.000 1.041 179 V CA -0.056 62.272 62.300 0.047 0.000 0.907 179 V CB 1.772 33.637 31.823 0.070 0.000 0.994 179 V HN 1.105 nan 8.190 nan 0.000 0.442 180 A N 4.104 126.954 122.820 0.051 0.000 2.475 180 A HA 1.046 5.366 4.320 -0.000 0.000 0.301 180 A C -0.199 177.427 177.584 0.070 0.000 1.059 180 A CA 0.025 52.093 52.037 0.051 0.000 0.710 180 A CB 1.960 20.976 19.000 0.027 0.000 1.288 180 A HN 2.015 nan 8.150 nan 0.000 0.408 181 G N -0.298 108.548 108.800 0.076 0.000 2.325 181 G HA2 0.604 4.564 3.960 -0.000 0.000 0.297 181 G HA3 0.604 4.564 3.960 -0.000 0.000 0.297 181 G C -0.337 174.600 174.900 0.061 0.000 1.448 181 G CA 0.280 45.433 45.100 0.088 0.000 0.838 181 G HN 1.519 nan 8.290 nan 0.000 0.579 182 T N -2.081 112.498 114.554 0.041 0.000 2.793 182 T HA 0.431 4.781 4.350 -0.000 0.000 0.299 182 T C 1.290 176.002 174.700 0.021 0.000 1.038 182 T CA 0.605 62.699 62.100 -0.010 0.000 0.948 182 T CB 1.426 70.257 68.868 -0.062 0.000 1.231 182 T HN 0.690 nan 8.240 nan 0.000 0.538 183 E N -0.053 120.126 120.200 -0.036 0.000 2.150 183 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 183 E C 2.183 178.801 176.600 0.030 0.000 0.985 183 E CA 0.883 57.255 56.400 -0.046 0.000 0.814 183 E CB -0.452 29.208 29.700 -0.067 0.000 0.752 183 E HN 0.701 nan 8.360 nan 0.000 0.466 184 A N 0.881 123.717 122.820 0.027 0.000 1.843 184 A HA 0.345 4.665 4.320 -0.000 0.000 0.213 184 A C 1.127 178.737 177.584 0.044 0.000 1.202 184 A CA 1.208 53.257 52.037 0.021 0.000 0.607 184 A CB -0.127 18.860 19.000 -0.023 0.000 0.847 184 A HN 0.347 nan 8.150 nan 0.000 0.445 185 A N -2.218 120.624 122.820 0.038 0.000 2.602 185 A HA 0.580 4.900 4.320 -0.000 0.000 0.290 185 A C -0.720 176.807 177.584 -0.096 0.000 1.114 185 A CA -0.375 51.609 52.037 -0.088 0.000 0.683 185 A CB 0.398 19.336 19.000 -0.103 0.000 1.281 185 A HN 0.508 nan 8.150 nan 0.000 0.416 186 V N 0.777 120.524 119.914 -0.278 0.000 2.686 186 V HA 0.245 4.365 4.120 -0.000 0.000 0.295 186 V C 0.788 176.848 176.094 -0.057 0.000 1.055 186 V CA 0.339 62.545 62.300 -0.157 0.000 1.050 186 V CB 0.862 32.566 31.823 -0.197 0.000 0.984 186 V HN 0.767 nan 8.190 nan 0.000 0.482 187 L N 3.191 124.407 121.223 -0.012 0.000 2.766 187 L HA 0.501 4.841 4.340 -0.000 0.000 0.241 187 L C 0.567 177.436 176.870 -0.002 0.000 1.080 187 L CA 0.647 55.480 54.840 -0.012 0.000 0.909 187 L CB 0.473 42.522 42.059 -0.017 0.000 1.277 187 L HN 0.706 nan 8.230 nan 0.000 0.510 188 M N 0.402 120.003 119.600 0.003 0.000 2.322 188 M HA 0.722 5.202 4.480 -0.000 0.000 0.285 188 M C -1.763 174.532 176.300 -0.010 0.000 1.119 188 M CA -0.494 54.803 55.300 -0.006 0.000 0.953 188 M CB 1.676 34.274 32.600 -0.004 0.000 1.701 188 M HN -0.225 nan 8.290 nan 0.000 0.479 189 V N 1.613 121.508 119.914 -0.033 0.000 2.686 189 V HA 0.896 5.016 4.120 -0.000 0.000 0.306 189 V C -0.899 175.152 176.094 -0.072 0.000 1.065 189 V CA -0.740 61.534 62.300 -0.043 0.000 0.894 189 V CB 1.922 33.715 31.823 -0.051 0.000 1.004 189 V HN 1.110 nan 8.190 nan 0.000 0.424 190 E N 2.984 123.147 120.200 -0.062 0.000 2.265 190 E HA 0.705 5.055 4.350 -0.000 0.000 0.262 190 E C -0.802 175.761 176.600 -0.062 0.000 0.889 190 E CA -0.190 56.164 56.400 -0.077 0.000 0.789 190 E CB 1.977 31.631 29.700 -0.076 0.000 1.221 190 E HN 0.869 nan 8.360 nan 0.000 0.414 191 S N 2.881 118.537 115.700 -0.074 0.000 2.595 191 S HA 0.799 5.269 4.470 -0.000 0.000 0.281 191 S C -1.024 173.540 174.600 -0.060 0.000 1.117 191 S CA -0.985 57.181 58.200 -0.057 0.000 0.873 191 S CB 1.485 64.650 63.200 -0.059 0.000 1.108 191 S HN 0.475 nan 8.310 nan 0.000 0.477 192 E N 0.536 120.710 120.200 -0.042 0.000 2.275 192 E HA 0.741 5.091 4.350 -0.000 0.000 0.270 192 E C -1.085 175.495 176.600 -0.034 0.000 0.882 192 E CA -1.421 54.954 56.400 -0.042 0.000 0.758 192 E CB 1.899 31.579 29.700 -0.032 0.000 1.195 192 E HN 0.913 nan 8.360 nan 0.000 0.419 193 A N 2.814 125.608 122.820 -0.044 0.000 2.498 193 A HA 0.393 4.713 4.320 -0.000 0.000 0.298 193 A C -0.756 176.803 177.584 -0.043 0.000 1.075 193 A CA -0.843 51.167 52.037 -0.045 0.000 0.714 193 A CB 1.887 20.848 19.000 -0.065 0.000 1.299 193 A HN 0.653 nan 8.150 nan 0.000 0.407 194 Q N 1.535 121.315 119.800 -0.034 0.000 3.091 194 Q HA 0.445 4.785 4.340 -0.000 0.000 0.301 194 Q C -1.041 174.939 176.000 -0.033 0.000 1.337 194 Q CA -0.309 55.477 55.803 -0.028 0.000 1.083 194 Q CB -0.243 28.489 28.738 -0.010 0.000 1.477 194 Q HN 0.636 nan 8.270 nan 0.000 0.537 195 L N 1.446 122.644 121.223 -0.042 0.000 3.634 195 L HA -0.264 4.076 4.340 -0.000 0.000 0.647 195 L C -0.879 175.963 176.870 -0.047 0.000 1.199 195 L CA 0.311 55.127 54.840 -0.040 0.000 1.027 195 L CB -1.512 40.529 42.059 -0.030 0.000 1.511 195 L HN 0.531 nan 8.230 nan 0.000 0.855 196 L N 0.384 121.565 121.223 -0.069 0.000 2.330 196 L HA 0.638 4.978 4.340 -0.000 0.000 0.271 196 L C 0.956 177.783 176.870 -0.072 0.000 1.013 196 L CA -0.483 54.297 54.840 -0.100 0.000 0.816 196 L CB 2.045 43.990 42.059 -0.189 0.000 1.287 196 L HN 0.499 nan 8.230 nan 0.000 0.435 197 S N -0.058 115.603 115.700 -0.065 0.000 2.608 197 S HA 0.117 4.587 4.470 -0.000 0.000 0.261 197 S C 0.706 175.291 174.600 -0.025 0.000 1.314 197 S CA -0.505 57.676 58.200 -0.032 0.000 0.992 197 S CB 1.077 64.268 63.200 -0.016 0.000 0.935 197 S HN 0.640 nan 8.310 nan 0.000 0.564 198 E N 0.744 120.944 120.200 0.000 0.000 2.077 198 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 198 E C 1.395 178.008 176.600 0.021 0.000 0.989 198 E CA 1.581 57.992 56.400 0.018 0.000 0.800 198 E CB -0.201 29.517 29.700 0.030 0.000 0.746 198 E HN 0.645 nan 8.360 nan 0.000 0.452 199 D N 0.247 120.660 120.400 0.022 0.000 2.183 199 D HA -0.115 4.525 4.640 -0.000 0.000 0.203 199 D C 1.720 178.055 176.300 0.057 0.000 0.969 199 D CA 0.784 54.807 54.000 0.037 0.000 0.842 199 D CB -0.036 40.789 40.800 0.042 0.000 0.957 199 D HN 0.294 nan 8.370 nan 0.000 0.484 200 Q N -0.569 119.247 119.800 0.026 0.000 2.230 200 Q HA 0.018 4.358 4.340 -0.000 0.000 0.202 200 Q C 2.008 178.012 176.000 0.007 0.000 0.963 200 Q CA 0.642 56.451 55.803 0.010 0.000 0.866 200 Q CB 0.185 28.801 28.738 -0.204 0.000 0.931 200 Q HN 0.195 nan 8.270 nan 0.000 0.452 201 M N -0.283 119.306 119.600 -0.019 0.000 2.334 201 M HA -0.030 4.449 4.480 -0.000 0.000 0.266 201 M C 2.014 178.321 176.300 0.012 0.000 1.082 201 M CA 0.771 56.063 55.300 -0.014 0.000 1.141 201 M CB -0.506 32.081 32.600 -0.021 0.000 1.380 201 M HN 0.240 nan 8.290 nan 0.000 0.440 202 L N 0.481 121.718 121.223 0.024 0.000 2.109 202 L HA 0.088 4.428 4.340 -0.000 0.000 0.207 202 L C 2.209 179.071 176.870 -0.012 0.000 1.086 202 L CA 1.826 56.680 54.840 0.024 0.000 0.760 202 L CB -1.154 40.922 42.059 0.028 0.000 0.910 202 L HN 0.270 nan 8.230 nan 0.000 0.437 203 G N -1.240 107.546 108.800 -0.024 0.000 2.448 203 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 203 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 203 G C 1.536 176.225 174.900 -0.351 0.000 1.135 203 G CA 0.597 45.625 45.100 -0.120 0.000 0.784 203 G HN 0.589 nan 8.290 nan 0.000 0.543 204 A N 0.182 122.835 122.820 -0.278 0.000 1.968 204 A HA 0.187 4.507 4.320 -0.000 0.000 0.217 204 A C 2.518 180.080 177.584 -0.038 0.000 1.169 204 A CA 1.447 53.341 52.037 -0.239 0.000 0.638 204 A CB -0.334 18.698 19.000 0.054 0.000 0.812 204 A HN 0.209 nan 8.150 nan 0.000 0.446 205 V N -0.437 119.467 119.914 -0.016 0.000 2.358 205 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 205 V C 2.540 178.655 176.094 0.035 0.000 1.047 205 V CA 1.850 64.162 62.300 0.020 0.000 1.035 205 V CB -0.657 31.172 31.823 0.011 0.000 0.658 205 V HN 0.357 nan 8.190 nan 0.000 0.452 206 V N -0.543 119.375 119.914 0.006 0.000 2.307 206 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 206 V C 2.171 178.307 176.094 0.070 0.000 1.045 206 V CA 2.374 64.693 62.300 0.031 0.000 1.024 206 V CB -0.718 31.106 31.823 0.002 0.000 0.651 206 V HN 0.560 nan 8.190 nan 0.000 0.449 207 F N 1.972 121.842 119.950 -0.133 0.000 2.095 207 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 207 F C 2.185 177.968 175.800 -0.028 0.000 1.104 207 F CA 1.832 59.758 58.000 -0.123 0.000 1.232 207 F CB -0.776 38.048 39.000 -0.294 0.000 0.987 207 F HN 0.146 nan 8.300 nan 0.000 0.475 208 G N -1.297 107.548 108.800 0.074 0.000 2.422 208 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 208 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 208 G C 1.765 176.669 174.900 0.007 0.000 1.140 208 G CA 0.896 46.015 45.100 0.032 0.000 0.775 208 G HN 0.552 nan 8.290 nan 0.000 0.545 209 H N 0.683 119.722 119.070 -0.051 0.000 2.428 209 H HA 0.080 4.636 4.556 -0.000 0.000 0.296 209 H C 2.157 177.440 175.328 -0.075 0.000 1.062 209 H CA 1.387 57.406 56.048 -0.048 0.000 1.350 209 H CB 0.212 29.952 29.762 -0.037 0.000 1.403 209 H HN 0.446 nan 8.280 nan 0.000 0.533 210 E N -0.159 119.969 120.200 -0.120 0.000 2.216 210 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 210 E C 2.153 178.622 176.600 -0.218 0.000 0.988 210 E CA 0.286 56.579 56.400 -0.178 0.000 0.834 210 E CB 0.313 29.936 29.700 -0.128 0.000 0.772 210 E HN 0.457 nan 8.360 nan 0.000 0.479 211 Q N 0.188 119.834 119.800 -0.257 0.000 2.354 211 Q HA -0.086 4.254 4.340 -0.000 0.000 0.203 211 Q C 1.803 177.830 176.000 0.046 0.000 0.933 211 Q CA 0.732 56.429 55.803 -0.177 0.000 0.901 211 Q CB 0.235 28.777 28.738 -0.328 0.000 1.007 211 Q HN 0.491 nan 8.270 nan 0.000 0.495 212 Q N -0.564 119.232 119.800 -0.007 0.000 2.444 212 Q HA 0.019 4.359 4.340 -0.000 0.000 0.206 212 Q C 1.323 177.249 176.000 -0.123 0.000 0.948 212 Q CA 0.177 55.988 55.803 0.014 0.000 0.946 212 Q CB 0.187 28.923 28.738 -0.003 0.000 1.027 212 Q HN 0.101 nan 8.270 nan 0.000 0.513 213 Q N 0.914 120.619 119.800 -0.157 0.000 2.167 213 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 213 Q C 2.339 178.237 176.000 -0.170 0.000 0.970 213 Q CA 1.866 57.556 55.803 -0.188 0.000 0.855 213 Q CB -0.057 28.572 28.738 -0.181 0.000 0.911 213 Q HN 0.573 nan 8.270 nan 0.000 0.438 214 V N -2.571 117.265 119.914 -0.131 0.000 2.809 214 V HA -0.099 4.021 4.120 -0.000 0.000 0.256 214 V C 2.255 178.109 176.094 -0.399 0.000 1.080 214 V CA 0.909 63.099 62.300 -0.182 0.000 1.102 214 V CB -0.915 30.896 31.823 -0.019 0.000 0.705 214 V HN -0.014 nan 8.190 nan 0.000 0.475 215 V N 0.828 120.527 119.914 -0.357 0.000 2.323 215 V HA -0.153 3.967 4.120 -0.000 0.000 0.244 215 V C 2.472 178.366 176.094 -0.333 0.000 1.041 215 V CA 2.398 64.461 62.300 -0.395 0.000 1.025 215 V CB -0.548 31.088 31.823 -0.312 0.000 0.656 215 V HN 0.456 nan 8.190 nan 0.000 0.451 216 I N -0.170 120.255 120.570 -0.243 0.000 2.315 216 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 216 I C 2.605 178.600 176.117 -0.203 0.000 1.117 216 I CA 1.513 62.702 61.300 -0.186 0.000 1.404 216 I CB -0.464 37.445 38.000 -0.151 0.000 1.071 216 I HN 0.335 nan 8.210 nan 0.000 0.419 217 Q N 0.386 120.044 119.800 -0.237 0.000 2.230 217 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 217 Q C 1.813 177.656 176.000 -0.262 0.000 0.963 217 Q CA 0.990 56.664 55.803 -0.215 0.000 0.866 217 Q CB -0.087 28.537 28.738 -0.191 0.000 0.931 217 Q HN 0.567 nan 8.270 nan 0.000 0.452 218 N N 0.117 118.564 118.700 -0.421 0.000 2.395 218 N HA 0.038 4.778 4.740 -0.000 0.000 0.175 218 N C 1.701 177.033 175.510 -0.296 0.000 1.029 218 N CA 0.530 53.293 53.050 -0.478 0.000 0.897 218 N CB 0.305 38.149 38.487 -1.073 0.000 0.991 218 N HN 0.219 nan 8.380 nan 0.000 0.441 219 I N 1.555 121.975 120.570 -0.251 0.000 2.286 219 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 219 I C 1.882 177.940 176.117 -0.099 0.000 1.104 219 I CA 0.755 61.976 61.300 -0.130 0.000 1.397 219 I CB -0.210 37.728 38.000 -0.103 0.000 1.072 219 I HN 0.051 nan 8.210 nan 0.000 0.417 220 N N 0.736 119.370 118.700 -0.110 0.000 2.205 220 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 220 N C 1.689 177.158 175.510 -0.069 0.000 1.015 220 N CA 1.180 54.181 53.050 -0.081 0.000 0.862 220 N CB -0.162 38.274 38.487 -0.086 0.000 0.986 220 N HN 0.376 nan 8.380 nan 0.000 0.429 221 E N 0.773 120.924 120.200 -0.083 0.000 2.208 221 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 221 E C 2.089 178.664 176.600 -0.041 0.000 0.988 221 E CA 0.113 56.476 56.400 -0.062 0.000 0.828 221 E CB -0.166 29.490 29.700 -0.073 0.000 0.763 221 E HN 0.359 nan 8.360 nan 0.000 0.478 222 L N 0.363 121.561 121.223 -0.042 0.000 2.179 222 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 222 L C 2.172 179.032 176.870 -0.016 0.000 1.096 222 L CA 0.460 55.288 54.840 -0.020 0.000 0.779 222 L CB 0.131 42.183 42.059 -0.012 0.000 0.922 222 L HN -0.079 nan 8.230 nan 0.000 0.443 223 V N -0.298 119.601 119.914 -0.025 0.000 2.427 223 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 223 V C 2.416 178.503 176.094 -0.011 0.000 1.051 223 V CA 1.810 64.099 62.300 -0.018 0.000 1.048 223 V CB -0.569 31.240 31.823 -0.024 0.000 0.666 223 V HN 0.416 nan 8.190 nan 0.000 0.456 224 K N -0.229 120.161 120.400 -0.016 0.000 2.211 224 K HA -0.188 4.132 4.320 -0.000 0.000 0.203 224 K C 2.162 178.759 176.600 -0.005 0.000 1.050 224 K CA 1.422 57.702 56.287 -0.011 0.000 0.945 224 K CB 0.112 32.601 32.500 -0.018 0.000 0.732 224 K HN 0.623 nan 8.250 nan 0.000 0.451 225 E N -0.848 119.349 120.200 -0.004 0.000 2.057 225 E HA -0.012 4.338 4.350 -0.000 0.000 0.190 225 E C 0.091 176.695 176.600 0.007 0.000 0.969 225 E CA 0.785 57.186 56.400 0.002 0.000 0.812 225 E CB 0.266 29.967 29.700 0.002 0.000 0.777 225 E HN 0.218 nan 8.360 nan 0.000 0.455 226 A N 0.852 123.677 122.820 0.008 0.000 2.843 226 A HA 0.443 4.763 4.320 -0.000 0.000 0.248 226 A C 0.070 177.663 177.584 0.015 0.000 0.904 226 A CA 0.000 52.046 52.037 0.014 0.000 1.091 226 A CB 0.665 19.675 19.000 0.017 0.000 1.208 226 A HN 0.209 nan 8.150 nan 0.000 0.476 227 G N 0.343 109.151 108.800 0.013 0.000 2.356 227 G HA2 0.462 4.422 3.960 -0.000 0.000 0.298 227 G HA3 0.462 4.422 3.960 -0.000 0.000 0.298 227 G C -0.126 174.792 174.900 0.031 0.000 1.145 227 G CA -0.496 44.613 45.100 0.015 0.000 0.850 227 G HN 0.396 nan 8.290 nan 0.000 0.487 228 K N 2.368 122.793 120.400 0.043 0.000 2.355 228 K HA 0.136 4.456 4.320 -0.000 0.000 0.270 228 K C -1.878 174.776 176.600 0.090 0.000 1.003 228 K CA -0.904 55.425 56.287 0.071 0.000 0.957 228 K CB 0.644 33.202 32.500 0.097 0.000 0.939 228 K HN 0.353 nan 8.250 nan 0.000 0.482 229 P HA -0.036 nan 4.420 nan 0.000 0.265 229 P C -0.692 176.713 177.300 0.175 0.000 1.193 229 P CA 0.161 63.324 63.100 0.106 0.000 0.765 229 P CB 0.463 32.214 31.700 0.084 0.000 0.823 230 R N 2.191 122.786 120.500 0.158 0.000 2.537 230 R HA 0.064 4.403 4.340 -0.000 0.000 0.280 230 R C 0.122 176.619 176.300 0.329 0.000 1.058 230 R CA -0.048 56.178 56.100 0.210 0.000 1.057 230 R CB -0.211 30.168 30.300 0.131 0.000 0.973 230 R HN 0.504 nan 8.270 nan 0.000 0.438 231 W N 1.599 122.949 121.300 0.083 0.000 2.295 231 W HA -0.066 4.594 4.660 -0.000 0.000 0.335 231 W C 0.783 177.407 176.519 0.175 0.000 1.351 231 W CA -0.067 57.357 57.345 0.132 0.000 1.273 231 W CB -0.091 29.463 29.460 0.156 0.000 1.214 231 W HN 0.487 nan 8.180 nan 0.000 0.563 232 D N 3.746 124.320 120.400 0.290 0.000 2.600 232 D HA 0.038 4.678 4.640 -0.000 0.000 0.226 232 D C -0.936 175.546 176.300 0.303 0.000 1.119 232 D CA -0.058 54.075 54.000 0.220 0.000 1.051 232 D CB -0.500 40.362 40.800 0.103 0.000 1.106 232 D HN 0.280 nan 8.370 nan 0.000 0.491 233 W N 2.791 124.212 121.300 0.202 0.000 2.587 233 W HA 0.463 5.123 4.660 -0.000 0.000 0.324 233 W C -1.316 175.297 176.519 0.158 0.000 1.040 233 W CA -0.655 56.824 57.345 0.224 0.000 1.222 233 W CB 1.211 30.902 29.460 0.385 0.000 1.381 233 W HN -0.026 nan 8.180 nan 0.000 0.483 234 Q N 6.859 126.231 119.800 -0.713 0.000 2.285 234 Q HA 0.326 4.666 4.340 -0.000 0.000 0.269 234 Q C -2.220 173.126 176.000 -1.090 0.000 1.030 234 Q CA -1.838 53.516 55.803 -0.749 0.000 0.788 234 Q CB 1.931 30.480 28.738 -0.316 0.000 1.266 234 Q HN 0.429 nan 8.270 nan 0.000 0.438 235 P HA 0.098 nan 4.420 nan 0.000 0.272 235 P C -0.490 176.638 177.300 -0.287 0.000 1.230 235 P CA -0.223 62.502 63.100 -0.625 0.000 0.788 235 P CB 1.004 32.523 31.700 -0.301 0.000 0.949 236 E N 1.982 122.099 120.200 -0.139 0.000 2.415 236 E HA 0.084 4.434 4.350 -0.000 0.000 0.263 236 E C -1.491 175.074 176.600 -0.057 0.000 0.995 236 E CA -1.067 55.288 56.400 -0.075 0.000 0.915 236 E CB -0.349 29.339 29.700 -0.020 0.000 0.951 236 E HN 0.410 nan 8.360 nan 0.000 0.449 237 P HA -0.037 nan 4.420 nan 0.000 0.269 237 P C -0.389 176.900 177.300 -0.018 0.000 1.209 237 P CA -0.253 62.824 63.100 -0.038 0.000 0.776 237 P CB 0.663 32.341 31.700 -0.037 0.000 0.876 238 V N 2.735 122.642 119.914 -0.012 0.000 2.485 238 V HA -0.002 4.118 4.120 -0.000 0.000 0.287 238 V C 0.472 176.566 176.094 -0.001 0.000 1.022 238 V CA -0.200 62.100 62.300 -0.001 0.000 1.067 238 V CB -0.548 31.276 31.823 0.002 0.000 0.967 238 V HN 0.543 nan 8.190 nan 0.000 0.479 239 N N 5.457 124.159 118.700 0.004 0.000 2.555 239 N HA 0.176 4.916 4.740 -0.000 0.000 0.244 239 N C 0.976 176.489 175.510 0.005 0.000 1.114 239 N CA 0.129 53.181 53.050 0.004 0.000 0.963 239 N CB 0.670 39.161 38.487 0.007 0.000 1.276 239 N HN 0.760 nan 8.380 nan 0.000 0.510 240 E N 1.587 121.789 120.200 0.003 0.000 2.150 240 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 240 E C 1.321 177.924 176.600 0.004 0.000 0.985 240 E CA 1.137 57.539 56.400 0.003 0.000 0.814 240 E CB 0.083 29.783 29.700 0.001 0.000 0.752 240 E HN 0.703 nan 8.360 nan 0.000 0.466 241 A N 0.707 123.529 122.820 0.003 0.000 2.014 241 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 241 A C 2.047 179.634 177.584 0.006 0.000 1.163 241 A CA 0.651 52.691 52.037 0.004 0.000 0.652 241 A CB -0.203 18.799 19.000 0.003 0.000 0.808 241 A HN 0.195 nan 8.150 nan 0.000 0.449 242 L N -0.943 120.284 121.223 0.008 0.000 2.202 242 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 242 L C 1.988 178.865 176.870 0.012 0.000 1.083 242 L CA 0.684 55.530 54.840 0.010 0.000 0.790 242 L CB -0.156 41.910 42.059 0.012 0.000 0.942 242 L HN 0.266 nan 8.230 nan 0.000 0.452 243 N N 0.422 119.129 118.700 0.012 0.000 2.142 243 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 243 N C 1.722 177.238 175.510 0.011 0.000 1.023 243 N CA 1.481 54.539 53.050 0.014 0.000 0.852 243 N CB -0.318 38.177 38.487 0.013 0.000 0.998 243 N HN 0.371 nan 8.380 nan 0.000 0.424 244 A N 0.539 123.364 122.820 0.008 0.000 2.014 244 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 244 A C 2.199 179.788 177.584 0.008 0.000 1.163 244 A CA 0.887 52.928 52.037 0.007 0.000 0.652 244 A CB -0.303 18.700 19.000 0.005 0.000 0.808 244 A HN 0.210 nan 8.150 nan 0.000 0.449 245 R N -0.422 120.083 120.500 0.009 0.000 2.073 245 R HA -0.045 4.295 4.340 -0.000 0.000 0.229 245 R C 1.788 178.095 176.300 0.011 0.000 1.120 245 R CA 1.589 57.695 56.100 0.009 0.000 0.967 245 R CB -0.234 30.072 30.300 0.009 0.000 0.862 245 R HN 0.292 nan 8.270 nan 0.000 0.436 246 V N 0.989 120.911 119.914 0.014 0.000 2.323 246 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 246 V C 2.456 178.560 176.094 0.016 0.000 1.041 246 V CA 1.788 64.098 62.300 0.017 0.000 1.025 246 V CB -0.592 31.243 31.823 0.021 0.000 0.656 246 V HN 0.509 nan 8.190 nan 0.000 0.451 247 A N 0.235 123.064 122.820 0.014 0.000 1.940 247 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 247 A C 2.381 179.972 177.584 0.011 0.000 1.176 247 A CA 2.005 54.049 52.037 0.013 0.000 0.631 247 A CB -0.758 18.247 19.000 0.009 0.000 0.814 247 A HN 0.590 nan 8.150 nan 0.000 0.446 248 A N -0.965 121.861 122.820 0.010 0.000 2.070 248 A HA 0.074 4.394 4.320 -0.000 0.000 0.220 248 A C 1.855 179.445 177.584 0.009 0.000 1.159 248 A CA 1.475 53.517 52.037 0.009 0.000 0.656 248 A CB -0.361 18.643 19.000 0.007 0.000 0.800 248 A HN 0.491 nan 8.150 nan 0.000 0.453 249 L N -2.816 118.414 121.223 0.011 0.000 2.731 249 L HA 0.312 4.652 4.340 -0.000 0.000 0.240 249 L C 2.132 179.010 176.870 0.014 0.000 1.120 249 L CA 0.548 55.395 54.840 0.011 0.000 0.913 249 L CB 0.332 42.398 42.059 0.011 0.000 1.213 249 L HN 0.340 nan 8.230 nan 0.000 0.515 250 A N -0.367 122.463 122.820 0.016 0.000 1.995 250 A HA 0.015 4.335 4.320 -0.000 0.000 0.200 250 A C 1.960 179.558 177.584 0.024 0.000 1.566 250 A CA 0.228 52.278 52.037 0.021 0.000 0.895 250 A CB -0.072 18.943 19.000 0.025 0.000 1.046 250 A HN 0.210 nan 8.150 nan 0.000 0.523 251 E N 0.456 120.669 120.200 0.021 0.000 2.204 251 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 251 E C 1.894 178.507 176.600 0.023 0.000 0.990 251 E CA 1.043 57.456 56.400 0.021 0.000 0.821 251 E CB -0.134 29.573 29.700 0.012 0.000 0.750 251 E HN 0.536 nan 8.360 nan 0.000 0.477 252 A N 0.973 123.804 122.820 0.018 0.000 1.897 252 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 252 A C 2.122 179.718 177.584 0.020 0.000 1.181 252 A CA 1.035 53.082 52.037 0.017 0.000 0.620 252 A CB -0.232 18.775 19.000 0.012 0.000 0.821 252 A HN 0.137 nan 8.150 nan 0.000 0.443 253 R N -0.696 119.816 120.500 0.019 0.000 2.090 253 R HA 0.101 4.441 4.340 -0.000 0.000 0.228 253 R C 1.836 178.152 176.300 0.025 0.000 1.110 253 R CA 1.069 57.178 56.100 0.015 0.000 0.973 253 R CB -0.362 29.943 30.300 0.009 0.000 0.869 253 R HN 0.467 nan 8.270 nan 0.000 0.440 254 L N 0.008 121.260 121.223 0.049 0.000 2.291 254 L HA -0.067 4.273 4.340 -0.000 0.000 0.214 254 L C 2.467 179.430 176.870 0.154 0.000 1.120 254 L CA 0.662 55.565 54.840 0.106 0.000 0.799 254 L CB -0.230 41.904 42.059 0.125 0.000 0.925 254 L HN 0.150 nan 8.230 nan 0.000 0.446 255 S N -0.105 115.647 115.700 0.087 0.000 2.387 255 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 255 S C 1.455 176.102 174.600 0.077 0.000 1.026 255 S CA 1.489 59.735 58.200 0.077 0.000 0.972 255 S CB -0.048 63.176 63.200 0.040 0.000 0.814 255 S HN 0.408 nan 8.310 nan 0.000 0.477 256 D N 0.823 121.253 120.400 0.050 0.000 2.333 256 D HA 0.295 4.935 4.640 -0.000 0.000 0.208 256 D C 1.930 178.239 176.300 0.014 0.000 0.984 256 D CA 0.800 54.818 54.000 0.031 0.000 0.873 256 D CB -0.249 40.559 40.800 0.015 0.000 0.935 256 D HN 0.424 nan 8.370 nan 0.000 0.521 257 A N -0.078 122.743 122.820 0.000 0.000 1.929 257 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 257 A C 1.057 178.528 177.584 -0.188 0.000 1.176 257 A CA 0.817 52.787 52.037 -0.112 0.000 0.628 257 A CB -0.700 18.193 19.000 -0.179 0.000 0.816 257 A HN 0.245 nan 8.150 nan 0.000 0.444 258 Y N -0.407 119.883 120.300 -0.017 0.000 2.676 258 Y HA 0.246 4.796 4.550 -0.000 0.000 0.331 258 Y C 1.802 177.704 175.900 0.003 0.000 1.128 258 Y CA 0.140 58.234 58.100 -0.010 0.000 1.360 258 Y CB 0.036 38.485 38.460 -0.019 0.000 1.176 258 Y HN 0.230 nan 8.280 nan 0.000 0.518 259 R N -0.529 120.022 120.500 0.085 0.000 2.446 259 R HA 0.273 4.613 4.340 -0.000 0.000 0.254 259 R C -0.070 176.253 176.300 0.038 0.000 0.918 259 R CA -0.078 56.059 56.100 0.062 0.000 1.069 259 R CB 0.605 30.933 30.300 0.045 0.000 1.194 259 R HN 0.238 nan 8.270 nan 0.000 0.534 260 I N 1.581 122.162 120.570 0.018 0.000 2.556 260 I HA -0.060 4.110 4.170 -0.000 0.000 0.284 260 I C 1.906 178.043 176.117 0.034 0.000 1.114 260 I CA 0.039 61.347 61.300 0.013 0.000 1.418 260 I CB 1.574 39.568 38.000 -0.011 0.000 1.394 260 I HN 0.155 nan 8.210 nan 0.000 0.552 261 T N 0.706 115.280 114.554 0.033 0.000 2.770 261 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 261 T C 0.667 175.396 174.700 0.048 0.000 1.039 261 T CA 0.481 62.606 62.100 0.041 0.000 1.142 261 T CB -0.212 68.674 68.868 0.030 0.000 0.868 261 T HN 0.589 nan 8.240 nan 0.000 0.435 262 D N 0.849 121.273 120.400 0.040 0.000 2.345 262 D HA 0.217 4.857 4.640 -0.000 0.000 0.247 262 D C 1.079 177.419 176.300 0.066 0.000 1.108 262 D CA -0.270 53.755 54.000 0.043 0.000 0.894 262 D CB 1.284 42.101 40.800 0.029 0.000 1.203 262 D HN 0.250 nan 8.370 nan 0.000 0.430 263 K N 1.865 122.308 120.400 0.072 0.000 2.025 263 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 263 K C 1.655 178.326 176.600 0.118 0.000 1.049 263 K CA 1.146 57.500 56.287 0.113 0.000 0.933 263 K CB 0.101 32.612 32.500 0.018 0.000 0.714 263 K HN 0.531 nan 8.250 nan 0.000 0.438 264 Q N 0.244 120.072 119.800 0.047 0.000 2.124 264 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 264 Q C 1.765 177.803 176.000 0.063 0.000 0.977 264 Q CA 1.721 57.549 55.803 0.042 0.000 0.850 264 Q CB 0.068 28.815 28.738 0.015 0.000 0.901 264 Q HN 0.443 nan 8.270 nan 0.000 0.429 265 E N -0.004 120.225 120.200 0.049 0.000 2.216 265 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 265 E C 1.931 178.543 176.600 0.020 0.000 0.988 265 E CA 0.266 56.684 56.400 0.030 0.000 0.834 265 E CB 0.081 29.792 29.700 0.017 0.000 0.772 265 E HN 0.176 nan 8.360 nan 0.000 0.479 266 R N -0.036 120.489 120.500 0.040 0.000 2.062 266 R HA -0.082 4.258 4.340 -0.000 0.000 0.226 266 R C 1.717 177.978 176.300 -0.065 0.000 1.125 266 R CA 1.013 57.090 56.100 -0.037 0.000 0.966 266 R CB -0.081 30.202 30.300 -0.028 0.000 0.861 266 R HN 0.177 nan 8.270 nan 0.000 0.433 267 Y N -0.013 120.239 120.300 -0.080 0.000 2.352 267 Y HA -0.057 4.493 4.550 -0.000 0.000 0.292 267 Y C 2.259 178.133 175.900 -0.043 0.000 1.136 267 Y CA 0.971 59.037 58.100 -0.057 0.000 1.227 267 Y CB 0.112 38.561 38.460 -0.017 0.000 0.991 267 Y HN 0.278 nan 8.280 nan 0.000 0.545 268 A N -0.554 122.323 122.820 0.096 0.000 1.930 268 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 268 A C 2.010 179.593 177.584 -0.000 0.000 1.176 268 A CA 1.551 53.614 52.037 0.045 0.000 0.632 268 A CB -0.464 18.559 19.000 0.037 0.000 0.819 268 A HN 0.380 nan 8.150 nan 0.000 0.445 269 Q N -0.375 119.407 119.800 -0.030 0.000 2.083 269 Q HA -0.035 4.305 4.340 -0.000 0.000 0.198 269 Q C 1.812 177.763 176.000 -0.083 0.000 0.969 269 Q CA 1.873 57.644 55.803 -0.054 0.000 0.838 269 Q CB -0.616 28.082 28.738 -0.066 0.000 0.900 269 Q HN 0.284 nan 8.270 nan 0.000 0.436 270 V N 0.706 120.532 119.914 -0.146 0.000 2.759 270 V HA -0.167 3.953 4.120 -0.000 0.000 0.256 270 V C 1.421 177.461 176.094 -0.089 0.000 1.080 270 V CA 2.189 64.384 62.300 -0.174 0.000 1.101 270 V CB -0.262 31.349 31.823 -0.354 0.000 0.698 270 V HN 0.482 nan 8.190 nan 0.000 0.477 271 D N -1.016 119.351 120.400 -0.055 0.000 2.194 271 D HA -0.100 4.540 4.640 -0.000 0.000 0.204 271 D C 2.021 178.319 176.300 -0.005 0.000 0.964 271 D CA 1.308 55.300 54.000 -0.012 0.000 0.846 271 D CB 0.122 40.932 40.800 0.017 0.000 0.962 271 D HN 0.314 nan 8.370 nan 0.000 0.490 272 V N 0.575 120.482 119.914 -0.011 0.000 2.358 272 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 272 V C 2.445 178.537 176.094 -0.004 0.000 1.047 272 V CA 1.279 63.576 62.300 -0.005 0.000 1.035 272 V CB -0.395 31.423 31.823 -0.007 0.000 0.658 272 V HN 0.278 nan 8.190 nan 0.000 0.452 273 I N -0.489 120.074 120.570 -0.012 0.000 2.226 273 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 273 I C 2.517 178.637 176.117 0.006 0.000 1.100 273 I CA 1.597 62.895 61.300 -0.004 0.000 1.374 273 I CB -0.456 37.538 38.000 -0.009 0.000 1.057 273 I HN 0.205 nan 8.210 nan 0.000 0.413 274 K N 0.558 120.962 120.400 0.006 0.000 2.148 274 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 274 K C 2.291 178.902 176.600 0.019 0.000 1.050 274 K CA 1.733 58.030 56.287 0.018 0.000 0.942 274 K CB -0.021 32.491 32.500 0.021 0.000 0.724 274 K HN 0.432 nan 8.250 nan 0.000 0.446 275 S N -0.044 115.665 115.700 0.014 0.000 2.456 275 S HA 0.016 4.486 4.470 -0.000 0.000 0.224 275 S C 1.609 176.217 174.600 0.013 0.000 1.035 275 S CA 0.206 58.415 58.200 0.015 0.000 0.940 275 S CB 0.124 63.332 63.200 0.014 0.000 0.799 275 S HN 0.242 nan 8.310 nan 0.000 0.508 276 E N 1.166 121.373 120.200 0.011 0.000 2.170 276 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 276 E C 1.715 178.322 176.600 0.011 0.000 0.981 276 E CA 1.340 57.746 56.400 0.010 0.000 0.830 276 E CB -0.201 29.503 29.700 0.007 0.000 0.775 276 E HN 0.562 nan 8.360 nan 0.000 0.470 277 T N 1.444 116.006 114.554 0.013 0.000 2.857 277 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 277 T C 1.955 176.665 174.700 0.017 0.000 1.048 277 T CA 0.549 62.658 62.100 0.015 0.000 1.139 277 T CB -0.033 68.845 68.868 0.018 0.000 0.874 277 T HN 0.105 nan 8.240 nan 0.000 0.455 278 I N 0.799 121.380 120.570 0.019 0.000 2.546 278 I HA -0.039 4.131 4.170 -0.000 0.000 0.255 278 I C 2.415 178.542 176.117 0.017 0.000 1.163 278 I CA 0.599 61.910 61.300 0.020 0.000 1.457 278 I CB -0.136 37.878 38.000 0.023 0.000 1.092 278 I HN 0.208 nan 8.210 nan 0.000 0.434 279 A N -0.599 122.230 122.820 0.015 0.000 1.975 279 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 279 A C 2.201 179.792 177.584 0.011 0.000 1.170 279 A CA 1.609 53.654 52.037 0.013 0.000 0.656 279 A CB -0.737 18.270 19.000 0.012 0.000 0.821 279 A HN 0.378 nan 8.150 nan 0.000 0.449 280 T N 0.524 115.085 114.554 0.011 0.000 2.857 280 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 280 T C 1.753 176.459 174.700 0.010 0.000 1.048 280 T CA 1.248 63.354 62.100 0.010 0.000 1.139 280 T CB -0.297 68.576 68.868 0.010 0.000 0.874 280 T HN 0.325 nan 8.240 nan 0.000 0.455 281 L N 0.300 121.530 121.223 0.012 0.000 2.141 281 L HA 0.064 4.404 4.340 -0.000 0.000 0.209 281 L C 2.306 179.183 176.870 0.012 0.000 1.094 281 L CA 0.844 55.692 54.840 0.012 0.000 0.763 281 L CB -0.447 41.621 42.059 0.014 0.000 0.908 281 L HN 0.234 nan 8.230 nan 0.000 0.437 282 L N -0.747 120.483 121.223 0.012 0.000 2.156 282 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 282 L C 2.740 179.616 176.870 0.010 0.000 1.095 282 L CA 0.832 55.678 54.840 0.011 0.000 0.770 282 L CB -0.528 41.538 42.059 0.012 0.000 0.914 282 L HN 0.212 nan 8.230 nan 0.000 0.439 283 A N -0.469 122.356 122.820 0.009 0.000 2.014 283 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 283 A C 2.142 179.730 177.584 0.007 0.000 1.163 283 A CA 1.478 53.520 52.037 0.008 0.000 0.652 283 A CB -0.226 18.779 19.000 0.008 0.000 0.808 283 A HN 0.330 nan 8.150 nan 0.000 0.449 284 E N 0.366 120.571 120.200 0.008 0.000 2.033 284 E HA -0.050 4.300 4.350 -0.000 0.000 0.189 284 E C -0.462 176.142 176.600 0.007 0.000 0.979 284 E CA 1.315 57.719 56.400 0.007 0.000 0.802 284 E CB 0.156 29.860 29.700 0.007 0.000 0.763 284 E HN 0.737 nan 8.360 nan 0.000 0.449 285 D N -1.692 118.712 120.400 0.008 0.000 2.927 285 D HA 0.106 4.746 4.640 -0.000 0.000 0.219 285 D C -0.557 175.748 176.300 0.008 0.000 1.248 285 D CA -0.417 53.587 54.000 0.007 0.000 0.861 285 D CB 0.726 41.530 40.800 0.007 0.000 1.677 285 D HN -0.013 nan 8.370 nan 0.000 0.511 286 E N 0.389 120.594 120.200 0.008 0.000 2.479 286 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 286 E C 0.961 177.566 176.600 0.009 0.000 1.049 286 E CA 0.168 56.573 56.400 0.008 0.000 0.870 286 E CB 0.411 30.116 29.700 0.008 0.000 0.944 286 E HN 0.527 nan 8.360 nan 0.000 0.492 287 T N 0.271 114.830 114.554 0.008 0.000 3.118 287 T HA 0.080 4.430 4.350 -0.000 0.000 0.260 287 T C 0.626 175.332 174.700 0.009 0.000 1.139 287 T CA 0.065 62.170 62.100 0.008 0.000 1.085 287 T CB -0.028 68.844 68.868 0.006 0.000 0.934 287 T HN 0.000 nan 8.240 nan 0.000 0.518 288 L N 1.730 122.959 121.223 0.010 0.000 2.418 288 L HA 0.424 4.764 4.340 -0.000 0.000 0.265 288 L C 0.288 177.166 176.870 0.014 0.000 1.143 288 L CA -0.869 53.978 54.840 0.013 0.000 0.809 288 L CB 0.632 42.699 42.059 0.014 0.000 1.124 288 L HN 0.074 nan 8.230 nan 0.000 0.456 289 D N 0.100 120.510 120.400 0.017 0.000 2.304 289 D HA 0.029 4.669 4.640 -0.000 0.000 0.247 289 D C 0.630 176.943 176.300 0.022 0.000 1.089 289 D CA -0.144 53.868 54.000 0.019 0.000 0.910 289 D CB 1.484 42.297 40.800 0.020 0.000 1.199 289 D HN 0.513 nan 8.370 nan 0.000 0.426 290 E N 1.880 122.094 120.200 0.023 0.000 2.028 290 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 290 E C 1.084 177.702 176.600 0.031 0.000 0.984 290 E CA 1.297 57.712 56.400 0.026 0.000 0.800 290 E CB 0.016 29.731 29.700 0.024 0.000 0.758 290 E HN 0.428 nan 8.360 nan 0.000 0.448 291 N N 0.503 119.223 118.700 0.033 0.000 2.409 291 N HA -0.111 4.629 4.740 -0.000 0.000 0.179 291 N C 1.477 177.014 175.510 0.044 0.000 1.032 291 N CA 0.693 53.767 53.050 0.040 0.000 0.898 291 N CB -0.024 38.488 38.487 0.041 0.000 0.971 291 N HN 0.376 nan 8.380 nan 0.000 0.441 292 E N 0.894 121.117 120.200 0.039 0.000 2.107 292 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 292 E C 1.791 178.418 176.600 0.045 0.000 0.982 292 E CA 0.459 56.884 56.400 0.042 0.000 0.809 292 E CB 0.107 29.827 29.700 0.034 0.000 0.756 292 E HN 0.259 nan 8.360 nan 0.000 0.459 293 L N -0.192 121.055 121.223 0.040 0.000 2.201 293 L HA -0.034 4.306 4.340 -0.000 0.000 0.212 293 L C 2.493 179.394 176.870 0.051 0.000 1.105 293 L CA 0.953 55.818 54.840 0.041 0.000 0.775 293 L CB -0.316 41.763 42.059 0.034 0.000 0.913 293 L HN 0.236 nan 8.230 nan 0.000 0.440 294 G N -0.588 108.244 108.800 0.054 0.000 2.448 294 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 294 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 294 G C 1.434 176.388 174.900 0.090 0.000 1.135 294 G CA 0.206 45.346 45.100 0.066 0.000 0.784 294 G HN 0.386 nan 8.290 nan 0.000 0.543 295 E N -0.064 120.186 120.200 0.084 0.000 2.152 295 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 295 E C 2.399 179.075 176.600 0.125 0.000 0.983 295 E CA 0.400 56.864 56.400 0.106 0.000 0.818 295 E CB -0.056 29.696 29.700 0.087 0.000 0.758 295 E HN 0.506 nan 8.360 nan 0.000 0.467 296 I N 0.789 121.412 120.570 0.090 0.000 2.286 296 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 296 I C 2.238 178.399 176.117 0.073 0.000 1.104 296 I CA 0.819 62.162 61.300 0.072 0.000 1.397 296 I CB -0.145 37.885 38.000 0.050 0.000 1.072 296 I HN 0.060 nan 8.210 nan 0.000 0.417 297 L N 0.028 121.301 121.223 0.082 0.000 2.083 297 L HA -0.250 4.090 4.340 -0.000 0.000 0.209 297 L C 2.707 179.636 176.870 0.098 0.000 1.083 297 L CA 1.508 56.395 54.840 0.078 0.000 0.752 297 L CB -0.728 41.376 42.059 0.075 0.000 0.899 297 L HN 0.324 nan 8.230 nan 0.000 0.433 298 H N -0.304 118.789 119.070 0.038 0.000 2.428 298 H HA -0.053 4.503 4.556 -0.000 0.000 0.296 298 H C 2.110 177.455 175.328 0.027 0.000 1.062 298 H CA 1.208 57.279 56.048 0.038 0.000 1.350 298 H CB 0.200 29.990 29.762 0.047 0.000 1.403 298 H HN 0.270 nan 8.280 nan 0.000 0.533 299 A N 0.378 123.229 122.820 0.051 0.000 1.930 299 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 299 A C 2.351 179.902 177.584 -0.056 0.000 1.175 299 A CA 1.463 53.498 52.037 -0.003 0.000 0.627 299 A CB -0.592 18.439 19.000 0.052 0.000 0.815 299 A HN 0.506 nan 8.150 nan 0.000 0.443 300 I N -0.565 119.984 120.570 -0.035 0.000 2.286 300 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 300 I C 2.333 178.396 176.117 -0.090 0.000 1.104 300 I CA 1.197 62.473 61.300 -0.041 0.000 1.397 300 I CB -0.457 37.541 38.000 -0.004 0.000 1.072 300 I HN 0.356 nan 8.210 nan 0.000 0.417 301 E N 1.049 121.183 120.200 -0.110 0.000 2.118 301 E HA -0.286 4.064 4.350 -0.000 0.000 0.195 301 E C 2.120 178.510 176.600 -0.349 0.000 0.992 301 E CA 1.230 57.514 56.400 -0.193 0.000 0.804 301 E CB -0.093 29.544 29.700 -0.104 0.000 0.741 301 E HN 0.378 nan 8.360 nan 0.000 0.458 302 K N 0.772 120.982 120.400 -0.317 0.000 2.103 302 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 302 K C 1.989 178.481 176.600 -0.180 0.000 1.052 302 K CA 1.131 57.261 56.287 -0.261 0.000 0.945 302 K CB 0.049 32.411 32.500 -0.230 0.000 0.722 302 K HN -0.064 nan 8.250 nan 0.000 0.443 303 N N 0.226 118.842 118.700 -0.140 0.000 2.244 303 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 303 N C 1.472 176.922 175.510 -0.100 0.000 1.016 303 N CA 0.848 53.842 53.050 -0.094 0.000 0.866 303 N CB 0.126 38.577 38.487 -0.060 0.000 0.980 303 N HN -0.018 nan 8.380 nan 0.000 0.430 304 V N -0.495 119.338 119.914 -0.134 0.000 2.323 304 V HA -0.116 4.004 4.120 -0.000 0.000 0.244 304 V C 2.238 178.241 176.094 -0.151 0.000 1.041 304 V CA 1.150 63.377 62.300 -0.121 0.000 1.025 304 V CB -0.360 31.401 31.823 -0.103 0.000 0.656 304 V HN 0.113 nan 8.190 nan 0.000 0.451 305 V N 1.585 121.344 119.914 -0.258 0.000 2.307 305 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 305 V C 2.601 178.620 176.094 -0.124 0.000 1.045 305 V CA 2.451 64.611 62.300 -0.233 0.000 1.024 305 V CB -0.955 30.655 31.823 -0.356 0.000 0.651 305 V HN 0.686 nan 8.190 nan 0.000 0.449 306 R N 0.217 120.650 120.500 -0.112 0.000 2.189 306 R HA -0.024 4.316 4.340 -0.000 0.000 0.218 306 R C 2.081 178.351 176.300 -0.050 0.000 1.074 306 R CA 1.494 57.554 56.100 -0.067 0.000 0.991 306 R CB -0.607 29.659 30.300 -0.057 0.000 0.883 306 R HN 0.404 nan 8.270 nan 0.000 0.457 307 S N 0.658 116.325 115.700 -0.055 0.000 2.414 307 S HA 0.084 4.554 4.470 -0.000 0.000 0.227 307 S C 1.778 176.357 174.600 -0.034 0.000 1.022 307 S CA 0.402 58.578 58.200 -0.040 0.000 0.958 307 S CB -0.018 63.159 63.200 -0.038 0.000 0.797 307 S HN 0.297 nan 8.310 nan 0.000 0.493 308 R N 0.899 121.377 120.500 -0.037 0.000 2.115 308 R HA 0.043 4.383 4.340 -0.000 0.000 0.230 308 R C 2.117 178.403 176.300 -0.023 0.000 1.111 308 R CA 0.776 56.861 56.100 -0.025 0.000 0.976 308 R CB -0.896 29.392 30.300 -0.020 0.000 0.870 308 R HN 0.328 nan 8.270 nan 0.000 0.445 309 V N 1.354 121.251 119.914 -0.028 0.000 2.323 309 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 309 V C 2.402 178.478 176.094 -0.030 0.000 1.041 309 V CA 1.242 63.528 62.300 -0.024 0.000 1.025 309 V CB -0.429 31.381 31.823 -0.022 0.000 0.656 309 V HN 0.190 nan 8.190 nan 0.000 0.451 310 L N 0.016 121.221 121.223 -0.031 0.000 2.141 310 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 310 L C 2.458 179.306 176.870 -0.037 0.000 1.094 310 L CA 1.498 56.318 54.840 -0.034 0.000 0.763 310 L CB -0.386 41.656 42.059 -0.028 0.000 0.908 310 L HN 0.314 nan 8.230 nan 0.000 0.437 311 A N -0.991 121.811 122.820 -0.031 0.000 1.930 311 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 311 A C 1.853 179.418 177.584 -0.031 0.000 1.175 311 A CA 1.326 53.346 52.037 -0.028 0.000 0.627 311 A CB -0.551 18.436 19.000 -0.022 0.000 0.815 311 A HN 0.632 nan 8.150 nan 0.000 0.443 312 G N -1.446 107.336 108.800 -0.031 0.000 2.192 312 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.193 312 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.193 312 G C -0.064 174.822 174.900 -0.022 0.000 0.999 312 G CA 0.163 45.244 45.100 -0.031 0.000 0.659 312 G HN 0.558 nan 8.290 nan 0.000 0.503 313 E N 2.047 122.237 120.200 -0.017 0.000 2.390 313 E HA 0.384 4.734 4.350 -0.000 0.000 0.261 313 E C -1.752 174.845 176.600 -0.006 0.000 1.076 313 E CA -1.333 55.061 56.400 -0.010 0.000 0.905 313 E CB 0.809 30.505 29.700 -0.006 0.000 0.984 313 E HN 0.223 nan 8.360 nan 0.000 0.427 314 P HA -0.075 nan 4.420 nan 0.000 0.270 314 P C -0.282 177.025 177.300 0.011 0.000 1.221 314 P CA 0.453 63.556 63.100 0.005 0.000 0.788 314 P CB 0.761 32.465 31.700 0.008 0.000 0.904 315 R N 0.048 120.559 120.500 0.017 0.000 2.562 315 R HA 0.281 4.621 4.340 -0.000 0.000 0.217 315 R C 1.943 178.271 176.300 0.046 0.000 1.234 315 R CA -0.718 55.399 56.100 0.028 0.000 1.027 315 R CB -0.324 29.993 30.300 0.029 0.000 1.525 315 R HN 0.262 nan 8.270 nan 0.000 0.527 316 I N 0.949 121.560 120.570 0.068 0.000 2.193 316 I HA -0.227 3.943 4.170 -0.000 0.000 0.240 316 I C 1.889 178.051 176.117 0.076 0.000 1.084 316 I CA 1.441 62.800 61.300 0.097 0.000 1.365 316 I CB -0.434 37.657 38.000 0.151 0.000 1.064 316 I HN 0.624 nan 8.210 nan 0.000 0.410 317 D N -0.071 120.369 120.400 0.067 0.000 2.347 317 D HA 0.056 4.696 4.640 -0.000 0.000 0.215 317 D C 1.696 178.019 176.300 0.037 0.000 0.976 317 D CA 1.149 55.181 54.000 0.054 0.000 0.884 317 D CB 0.160 40.992 40.800 0.054 0.000 0.915 317 D HN 0.453 nan 8.370 nan 0.000 0.526 318 G N -0.074 108.746 108.800 0.033 0.000 2.336 318 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.194 318 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.194 318 G C 0.502 175.411 174.900 0.016 0.000 0.999 318 G CA -0.235 44.878 45.100 0.023 0.000 0.669 318 G HN 0.385 nan 8.290 nan 0.000 0.482 319 R N 0.336 120.846 120.500 0.017 0.000 2.668 319 R HA 0.644 4.984 4.340 -0.000 0.000 0.268 319 R C 0.981 177.285 176.300 0.007 0.000 1.232 319 R CA 0.466 56.571 56.100 0.009 0.000 1.166 319 R CB 0.309 30.614 30.300 0.009 0.000 1.179 319 R HN 0.281 nan 8.270 nan 0.000 0.606 320 E N -0.326 119.874 120.200 -0.000 0.000 3.312 320 E HA 0.160 4.510 4.350 -0.000 0.000 0.178 320 E C 0.803 177.399 176.600 -0.006 0.000 1.204 320 E CA 0.080 56.477 56.400 -0.004 0.000 1.335 320 E CB 0.329 30.023 29.700 -0.009 0.000 1.680 320 E HN 0.354 nan 8.360 nan 0.000 0.503 321 K N -0.284 120.110 120.400 -0.011 0.000 2.678 321 K HA 0.006 4.326 4.320 -0.000 0.000 0.240 321 K C 0.383 176.978 176.600 -0.008 0.000 1.508 321 K CA 0.784 57.064 56.287 -0.012 0.000 0.824 321 K CB 0.257 32.745 32.500 -0.022 0.000 1.893 321 K HN 0.085 nan 8.250 nan 0.000 0.366 322 D N 0.950 121.342 120.400 -0.014 0.000 2.347 322 D HA -0.063 4.577 4.640 -0.000 0.000 0.213 322 D C 0.822 177.106 176.300 -0.026 0.000 0.985 322 D CA 0.160 54.152 54.000 -0.014 0.000 0.879 322 D CB -0.196 40.596 40.800 -0.014 0.000 0.919 322 D HN 0.173 nan 8.370 nan 0.000 0.526 323 M N 1.573 121.155 119.600 -0.030 0.000 2.269 323 M HA 0.172 4.652 4.480 -0.000 0.000 0.350 323 M C -0.129 176.149 176.300 -0.038 0.000 1.429 323 M CA -0.153 55.119 55.300 -0.046 0.000 1.063 323 M CB 0.335 32.914 32.600 -0.033 0.000 1.841 323 M HN 0.077 nan 8.290 nan 0.000 0.455 324 I N 2.078 122.608 120.570 -0.066 0.000 2.822 324 I HA 0.580 4.750 4.170 -0.000 0.000 0.312 324 I C -0.336 175.769 176.117 -0.021 0.000 1.011 324 I CA -1.229 60.053 61.300 -0.031 0.000 1.105 324 I CB 1.417 39.405 38.000 -0.020 0.000 1.291 324 I HN 0.647 nan 8.210 nan 0.000 0.474 325 R N 1.559 122.069 120.500 0.017 0.000 2.726 325 R HA 0.401 4.741 4.340 -0.000 0.000 0.272 325 R C 0.419 176.737 176.300 0.031 0.000 1.097 325 R CA 0.033 56.146 56.100 0.022 0.000 1.198 325 R CB 0.477 30.796 30.300 0.032 0.000 1.114 325 R HN 0.950 nan 8.270 nan 0.000 0.550 326 G N 0.770 109.583 108.800 0.022 0.000 2.594 326 G HA2 0.314 4.274 3.960 -0.000 0.000 0.243 326 G HA3 0.314 4.274 3.960 -0.000 0.000 0.243 326 G C -0.594 174.300 174.900 -0.010 0.000 1.229 326 G CA -0.469 44.646 45.100 0.024 0.000 0.843 326 G HN 0.272 nan 8.290 nan 0.000 0.578 327 L N 0.596 121.807 121.223 -0.019 0.000 2.362 327 L HA 0.480 4.820 4.340 -0.000 0.000 0.271 327 L C -0.927 175.848 176.870 -0.159 0.000 1.002 327 L CA -0.910 53.853 54.840 -0.128 0.000 0.818 327 L CB 2.466 44.494 42.059 -0.053 0.000 1.298 327 L HN 0.414 nan 8.230 nan 0.000 0.420 328 D N 1.882 122.110 120.400 -0.287 0.000 2.476 328 D HA 0.378 5.018 4.640 -0.000 0.000 0.251 328 D C -1.375 174.790 176.300 -0.225 0.000 1.291 328 D CA -0.202 53.680 54.000 -0.197 0.000 0.939 328 D CB 1.979 42.691 40.800 -0.147 0.000 1.221 328 D HN 0.070 nan 8.370 nan 0.000 0.567 329 V N 5.295 125.152 119.914 -0.096 0.000 2.370 329 V HA 0.548 4.668 4.120 -0.000 0.000 0.279 329 V C 0.288 176.397 176.094 0.026 0.000 1.029 329 V CA -0.553 61.754 62.300 0.012 0.000 0.870 329 V CB 1.293 33.169 31.823 0.090 0.000 0.984 329 V HN 0.371 nan 8.190 nan 0.000 0.451 330 R N 2.932 123.461 120.500 0.050 0.000 2.532 330 R HA 0.662 5.002 4.340 -0.000 0.000 0.297 330 R C -1.020 175.312 176.300 0.053 0.000 0.984 330 R CA -0.564 55.559 56.100 0.037 0.000 0.884 330 R CB 2.369 32.681 30.300 0.020 0.000 1.182 330 R HN 0.652 nan 8.270 nan 0.000 0.442 331 T N 0.192 114.770 114.554 0.039 0.000 2.841 331 T HA 0.492 4.842 4.350 -0.000 0.000 0.283 331 T C 0.566 175.279 174.700 0.022 0.000 1.000 331 T CA -0.273 61.848 62.100 0.036 0.000 0.977 331 T CB 1.801 70.690 68.868 0.034 0.000 0.979 331 T HN 0.836 nan 8.240 nan 0.000 0.446 332 G N 1.239 110.051 108.800 0.020 0.000 2.303 332 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 332 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 332 G C 0.719 175.623 174.900 0.007 0.000 1.106 332 G CA 0.182 45.288 45.100 0.010 0.000 0.900 332 G HN 0.808 nan 8.290 nan 0.000 0.495 333 V N -0.453 119.467 119.914 0.010 0.000 2.535 333 V HA 0.363 4.483 4.120 -0.000 0.000 0.246 333 V C 1.780 177.873 176.094 -0.000 0.000 1.045 333 V CA 1.935 64.240 62.300 0.007 0.000 1.058 333 V CB -0.184 31.648 31.823 0.014 0.000 0.689 333 V HN 0.497 nan 8.190 nan 0.000 0.461 334 L N 0.268 121.489 121.223 -0.002 0.000 2.642 334 L HA 0.381 4.721 4.340 -0.000 0.000 0.229 334 L C -1.068 175.792 176.870 -0.016 0.000 1.179 334 L CA -1.071 53.763 54.840 -0.010 0.000 0.834 334 L CB -0.340 41.712 42.059 -0.012 0.000 1.515 334 L HN 0.116 nan 8.230 nan 0.000 0.512 335 P HA 0.097 nan 4.420 nan 0.000 0.185 335 P C 0.157 177.429 177.300 -0.046 0.000 0.952 335 P CA 0.031 63.112 63.100 -0.030 0.000 0.996 335 P CB 0.510 32.194 31.700 -0.028 0.000 0.763 336 R N 1.209 121.679 120.500 -0.051 0.000 4.394 336 R HA 0.441 4.780 4.340 -0.000 0.000 0.257 336 R C -0.501 175.741 176.300 -0.097 0.000 1.727 336 R CA 0.152 56.209 56.100 -0.072 0.000 1.497 336 R CB -1.726 28.540 30.300 -0.057 0.000 1.406 336 R HN 0.143 nan 8.270 nan 0.000 0.745 337 T N -1.893 112.596 114.554 -0.109 0.000 2.843 337 T HA 0.237 4.587 4.350 -0.000 0.000 0.302 337 T C 0.473 175.088 174.700 -0.142 0.000 1.232 337 T CA -0.599 61.427 62.100 -0.122 0.000 1.009 337 T CB 0.894 69.741 68.868 -0.035 0.000 1.254 337 T HN 0.494 nan 8.240 nan 0.000 0.504 338 H N 1.328 120.388 119.070 -0.017 0.000 2.276 338 H HA 0.278 4.834 4.556 -0.000 0.000 0.301 338 H C 1.351 176.671 175.328 -0.014 0.000 1.073 338 H CA 1.746 57.785 56.048 -0.015 0.000 1.311 338 H CB -0.029 29.724 29.762 -0.013 0.000 1.379 338 H HN 0.607 nan 8.280 nan 0.000 0.494 339 G N -0.918 107.952 108.800 0.116 0.000 2.452 339 G HA2 0.522 4.482 3.960 -0.000 0.000 0.324 339 G HA3 0.522 4.482 3.960 -0.000 0.000 0.324 339 G C -1.046 173.872 174.900 0.030 0.000 1.214 339 G CA -0.543 44.591 45.100 0.056 0.000 0.947 339 G HN 0.193 nan 8.290 nan 0.000 0.478 340 S N -0.630 115.085 115.700 0.024 0.000 2.571 340 S HA 0.847 5.317 4.470 -0.000 0.000 0.284 340 S C -0.393 174.226 174.600 0.032 0.000 1.128 340 S CA -0.433 57.779 58.200 0.021 0.000 0.970 340 S CB 1.859 65.066 63.200 0.013 0.000 1.039 340 S HN 1.462 nan 8.310 nan 0.000 0.485 341 A N 2.039 124.884 122.820 0.041 0.000 2.547 341 A HA 0.813 5.133 4.320 -0.000 0.000 0.297 341 A C -1.875 175.759 177.584 0.083 0.000 1.056 341 A CA -0.574 51.504 52.037 0.068 0.000 0.688 341 A CB 1.345 20.392 19.000 0.078 0.000 1.282 341 A HN 0.750 nan 8.150 nan 0.000 0.400 342 L N 2.294 123.579 121.223 0.104 0.000 2.485 342 L HA 0.696 5.036 4.340 -0.000 0.000 0.260 342 L C -1.761 175.199 176.870 0.150 0.000 0.998 342 L CA -0.278 54.625 54.840 0.104 0.000 0.883 342 L CB 0.678 42.769 42.059 0.053 0.000 1.196 342 L HN 0.627 nan 8.230 nan 0.000 0.443 343 F N 3.378 123.349 119.950 0.035 0.000 2.420 343 F HA 0.770 5.296 4.527 -0.000 0.000 0.342 343 F C -0.206 175.617 175.800 0.039 0.000 1.113 343 F CA 0.022 58.046 58.000 0.040 0.000 1.059 343 F CB 1.636 40.668 39.000 0.054 0.000 1.128 343 F HN 0.471 nan 8.300 nan 0.000 0.475 344 T N 6.372 120.574 114.554 -0.587 0.000 2.949 344 T HA 0.340 4.690 4.350 -0.000 0.000 0.300 344 T C -0.875 173.517 174.700 -0.513 0.000 0.988 344 T CA -0.666 61.218 62.100 -0.360 0.000 0.993 344 T CB 1.147 69.905 68.868 -0.183 0.000 0.984 344 T HN 0.641 nan 8.240 nan 0.000 0.442 345 R N 2.380 122.729 120.500 -0.251 0.000 2.320 345 R HA 0.558 4.898 4.340 -0.000 0.000 0.319 345 R C 1.166 177.455 176.300 -0.018 0.000 0.969 345 R CA 0.536 56.568 56.100 -0.113 0.000 0.857 345 R CB 0.023 30.381 30.300 0.096 0.000 1.160 345 R HN 0.920 nan 8.270 nan 0.000 0.491 346 G N 4.215 112.999 108.800 -0.028 0.000 3.181 346 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.322 346 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.322 346 G C 0.201 175.101 174.900 -0.001 0.000 1.246 346 G CA 0.727 45.827 45.100 0.000 0.000 0.989 346 G HN 0.717 nan 8.290 nan 0.000 0.607 347 E N 0.389 120.599 120.200 0.017 0.000 3.105 347 E HA 0.448 4.798 4.350 -0.000 0.000 0.198 347 E C 0.019 176.635 176.600 0.027 0.000 0.976 347 E CA 0.389 56.799 56.400 0.016 0.000 1.219 347 E CB 0.369 30.081 29.700 0.020 0.000 1.081 347 E HN 0.767 nan 8.360 nan 0.000 0.464 348 T N -1.450 113.127 114.554 0.038 0.000 2.807 348 T HA 0.446 4.796 4.350 -0.000 0.000 0.279 348 T C -0.519 174.217 174.700 0.061 0.000 0.993 348 T CA -0.741 61.397 62.100 0.062 0.000 0.970 348 T CB 2.233 71.164 68.868 0.104 0.000 0.950 348 T HN 0.200 nan 8.240 nan 0.000 0.441 349 Q N 1.390 121.225 119.800 0.059 0.000 2.356 349 Q HA 0.664 5.004 4.340 -0.000 0.000 0.270 349 Q C -1.878 174.172 176.000 0.084 0.000 1.058 349 Q CA -1.070 54.771 55.803 0.063 0.000 0.802 349 Q CB 1.932 30.689 28.738 0.031 0.000 1.303 349 Q HN 1.025 nan 8.270 nan 0.000 0.444 350 A N 3.997 126.896 122.820 0.132 0.000 2.411 350 A HA 0.430 4.750 4.320 -0.000 0.000 0.285 350 A C -1.629 176.024 177.584 0.114 0.000 1.129 350 A CA -0.578 51.532 52.037 0.121 0.000 0.736 350 A CB 0.952 20.055 19.000 0.172 0.000 1.186 350 A HN 0.677 nan 8.150 nan 0.000 0.445 351 L N 4.305 125.568 121.223 0.066 0.000 2.334 351 L HA 0.460 4.800 4.340 -0.000 0.000 0.286 351 L C -0.679 176.215 176.870 0.040 0.000 1.108 351 L CA 0.201 55.073 54.840 0.054 0.000 0.875 351 L CB 0.519 42.600 42.059 0.037 0.000 1.246 351 L HN 0.408 nan 8.230 nan 0.000 0.439 352 V N 3.763 123.709 119.914 0.053 0.000 2.407 352 V HA 0.552 4.672 4.120 -0.000 0.000 0.278 352 V C 0.465 176.558 176.094 -0.002 0.000 1.037 352 V CA -0.321 61.995 62.300 0.025 0.000 0.900 352 V CB 1.429 33.288 31.823 0.061 0.000 0.983 352 V HN 0.826 nan 8.190 nan 0.000 0.459 353 T N 1.921 116.447 114.554 -0.046 0.000 2.856 353 T HA 0.865 5.215 4.350 -0.000 0.000 0.283 353 T C -0.427 174.229 174.700 -0.073 0.000 1.008 353 T CA -0.615 61.459 62.100 -0.042 0.000 0.997 353 T CB 1.987 70.830 68.868 -0.041 0.000 0.992 353 T HN 0.986 nan 8.240 nan 0.000 0.454 354 A N 2.197 125.000 122.820 -0.028 0.000 2.342 354 A HA 0.785 5.105 4.320 -0.000 0.000 0.323 354 A C -0.110 177.482 177.584 0.013 0.000 1.125 354 A CA -0.849 51.172 52.037 -0.026 0.000 0.785 354 A CB 1.259 20.265 19.000 0.011 0.000 1.221 354 A HN 0.911 nan 8.150 nan 0.000 0.463 355 T N 2.795 117.328 114.554 -0.034 0.000 2.879 355 T HA 0.523 4.873 4.350 -0.000 0.000 0.290 355 T C -0.457 174.142 174.700 -0.168 0.000 0.993 355 T CA -0.261 61.814 62.100 -0.043 0.000 0.975 355 T CB 0.840 69.692 68.868 -0.026 0.000 0.981 355 T HN 0.484 nan 8.240 nan 0.000 0.439 356 L N 2.368 123.304 121.223 -0.477 0.000 2.334 356 L HA 0.812 5.152 4.340 -0.000 0.000 0.277 356 L C 0.938 177.666 176.870 -0.237 0.000 1.075 356 L CA -0.256 54.359 54.840 -0.375 0.000 0.804 356 L CB 1.137 42.874 42.059 -0.537 0.000 1.174 356 L HN 0.869 nan 8.230 nan 0.000 0.438 357 G N 0.881 109.658 108.800 -0.038 0.000 3.021 357 G HA2 0.696 4.656 3.960 -0.000 0.000 0.290 357 G HA3 0.696 4.656 3.960 -0.000 0.000 0.290 357 G C -1.202 173.724 174.900 0.043 0.000 1.291 357 G CA -0.304 44.798 45.100 0.003 0.000 0.834 357 G HN 0.434 nan 8.290 nan 0.000 0.564 358 T N -0.484 114.064 114.554 -0.009 0.000 2.927 358 T HA 0.552 4.902 4.350 -0.000 0.000 0.286 358 T C 1.475 176.135 174.700 -0.067 0.000 1.040 358 T CA 0.322 62.385 62.100 -0.063 0.000 1.010 358 T CB 1.599 70.437 68.868 -0.050 0.000 1.177 358 T HN 0.934 nan 8.240 nan 0.000 0.546 359 A N 0.252 123.015 122.820 -0.095 0.000 2.070 359 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 359 A C 2.194 179.755 177.584 -0.038 0.000 1.159 359 A CA 1.304 53.299 52.037 -0.070 0.000 0.656 359 A CB -0.634 18.316 19.000 -0.084 0.000 0.800 359 A HN 0.756 nan 8.150 nan 0.000 0.453 360 R N -0.247 120.233 120.500 -0.034 0.000 2.115 360 R HA -0.100 4.240 4.340 -0.000 0.000 0.226 360 R C 0.420 176.714 176.300 -0.010 0.000 1.100 360 R CA 1.403 57.491 56.100 -0.019 0.000 0.980 360 R CB -0.119 30.170 30.300 -0.017 0.000 0.875 360 R HN 0.408 nan 8.270 nan 0.000 0.445 361 D N 0.528 120.921 120.400 -0.012 0.000 2.349 361 D HA 0.048 4.688 4.640 -0.000 0.000 0.224 361 D C -0.108 176.193 176.300 0.002 0.000 1.029 361 D CA 0.243 54.239 54.000 -0.005 0.000 0.879 361 D CB 0.337 41.131 40.800 -0.010 0.000 0.906 361 D HN 0.221 nan 8.370 nan 0.000 0.528 362 A N 0.956 123.778 122.820 0.003 0.000 2.477 362 A HA 0.060 4.380 4.320 -0.000 0.000 0.246 362 A C 0.525 178.124 177.584 0.025 0.000 1.078 362 A CA -0.185 51.862 52.037 0.016 0.000 0.770 362 A CB 0.246 19.254 19.000 0.013 0.000 1.011 362 A HN 0.086 nan 8.150 nan 0.000 0.494 363 Q N 2.257 122.079 119.800 0.038 0.000 2.307 363 Q HA 0.335 4.675 4.340 -0.000 0.000 0.261 363 Q C -0.579 175.445 176.000 0.040 0.000 1.051 363 Q CA -0.172 55.657 55.803 0.044 0.000 0.911 363 Q CB 0.698 29.472 28.738 0.059 0.000 1.227 363 Q HN 0.663 nan 8.270 nan 0.000 0.418 364 V N 7.058 126.993 119.914 0.034 0.000 2.408 364 V HA 0.293 4.413 4.120 -0.000 0.000 0.267 364 V C -0.621 175.494 176.094 0.035 0.000 1.047 364 V CA -0.270 62.049 62.300 0.032 0.000 0.937 364 V CB 0.517 32.356 31.823 0.027 0.000 0.999 364 V HN 0.751 nan 8.190 nan 0.000 0.472 365 L N 6.459 127.703 121.223 0.035 0.000 2.282 365 L HA 0.532 4.872 4.340 -0.000 0.000 0.288 365 L C 0.106 176.995 176.870 0.031 0.000 1.033 365 L CA -0.427 54.434 54.840 0.035 0.000 0.807 365 L CB 1.432 43.513 42.059 0.037 0.000 1.209 365 L HN 0.543 nan 8.230 nan 0.000 0.423 366 D N 3.742 124.161 120.400 0.031 0.000 2.943 366 D HA 0.104 4.744 4.640 -0.000 0.000 0.249 366 D C 0.049 176.364 176.300 0.024 0.000 1.231 366 D CA 0.011 54.028 54.000 0.028 0.000 0.979 366 D CB 0.282 41.100 40.800 0.030 0.000 1.053 366 D HN 0.539 nan 8.370 nan 0.000 0.504 367 E N 0.408 120.623 120.200 0.026 0.000 2.383 367 E HA 0.006 4.356 4.350 -0.000 0.000 0.264 367 E C 1.130 177.741 176.600 0.018 0.000 1.050 367 E CA -0.521 55.894 56.400 0.026 0.000 0.896 367 E CB 1.558 31.276 29.700 0.030 0.000 0.982 367 E HN 0.088 nan 8.360 nan 0.000 0.424 368 L N 3.334 124.565 121.223 0.014 0.000 2.141 368 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 368 L C 1.954 178.827 176.870 0.004 0.000 1.094 368 L CA 1.725 56.564 54.840 -0.001 0.000 0.763 368 L CB -0.188 41.861 42.059 -0.017 0.000 0.908 368 L HN 0.723 nan 8.230 nan 0.000 0.437 369 M N -1.676 117.933 119.600 0.015 0.000 2.254 369 M HA 0.184 4.664 4.480 -0.000 0.000 0.265 369 M C 0.494 176.802 176.300 0.014 0.000 1.066 369 M CA 1.014 56.323 55.300 0.014 0.000 1.123 369 M CB 0.097 32.708 32.600 0.018 0.000 1.388 369 M HN 0.327 nan 8.290 nan 0.000 0.425 370 G N 0.303 109.113 108.800 0.017 0.000 2.473 370 G HA2 0.117 4.077 3.960 -0.000 0.000 0.298 370 G HA3 0.117 4.077 3.960 -0.000 0.000 0.298 370 G C -1.880 173.032 174.900 0.020 0.000 1.575 370 G CA -0.796 44.314 45.100 0.017 0.000 0.846 370 G HN 0.219 nan 8.290 nan 0.000 0.585 371 E N 0.540 120.752 120.200 0.019 0.000 2.290 371 E HA 0.515 4.865 4.350 -0.000 0.000 0.277 371 E C 0.414 177.028 176.600 0.023 0.000 1.035 371 E CA -0.368 56.045 56.400 0.021 0.000 0.873 371 E CB 0.516 30.228 29.700 0.020 0.000 1.029 371 E HN 0.618 nan 8.360 nan 0.000 0.419 372 R N 1.169 121.685 120.500 0.027 0.000 2.698 372 R HA 0.431 4.771 4.340 -0.000 0.000 0.275 372 R C -1.301 175.019 176.300 0.033 0.000 1.001 372 R CA -0.954 55.163 56.100 0.029 0.000 0.896 372 R CB 1.277 31.596 30.300 0.032 0.000 1.218 372 R HN 0.392 nan 8.270 nan 0.000 0.462 373 T N -1.060 113.513 114.554 0.033 0.000 2.767 373 T HA 0.245 4.595 4.350 -0.000 0.000 0.284 373 T C -0.564 174.165 174.700 0.048 0.000 0.973 373 T CA -0.791 61.331 62.100 0.035 0.000 0.996 373 T CB 1.399 70.283 68.868 0.026 0.000 0.927 373 T HN 0.533 nan 8.240 nan 0.000 0.456 374 D N 1.901 122.335 120.400 0.058 0.000 2.225 374 D HA 0.385 5.025 4.640 -0.000 0.000 0.248 374 D C 0.899 177.252 176.300 0.089 0.000 1.096 374 D CA -0.413 53.637 54.000 0.082 0.000 0.863 374 D CB 1.791 42.644 40.800 0.089 0.000 1.156 374 D HN 0.587 nan 8.370 nan 0.000 0.450 375 T N 2.573 117.200 114.554 0.121 0.000 2.925 375 T HA 0.050 4.400 4.350 -0.000 0.000 0.245 375 T C 0.612 175.428 174.700 0.193 0.000 1.025 375 T CA 0.117 62.297 62.100 0.133 0.000 1.149 375 T CB -0.160 68.790 68.868 0.137 0.000 0.866 375 T HN 0.377 nan 8.240 nan 0.000 0.437 376 F N 2.641 122.649 119.950 0.096 0.000 2.424 376 F HA 0.550 5.077 4.527 -0.000 0.000 0.356 376 F C -0.974 174.911 175.800 0.141 0.000 1.110 376 F CA -1.305 56.768 58.000 0.121 0.000 1.161 376 F CB 0.230 39.309 39.000 0.131 0.000 1.115 376 F HN -0.009 nan 8.300 nan 0.000 0.507 377 L N 7.760 128.718 121.223 -0.441 0.000 2.376 377 L HA 0.401 4.741 4.340 -0.000 0.000 0.275 377 L C -1.200 175.471 176.870 -0.332 0.000 0.987 377 L CA -0.663 54.048 54.840 -0.215 0.000 0.828 377 L CB 1.792 43.864 42.059 0.022 0.000 1.249 377 L HN 0.561 nan 8.230 nan 0.000 0.409 378 F N 1.789 121.615 119.950 -0.208 0.000 2.436 378 F HA 0.474 5.001 4.527 -0.000 0.000 0.340 378 F C -0.225 175.639 175.800 0.107 0.000 1.113 378 F CA -0.343 57.621 58.000 -0.060 0.000 1.022 378 F CB 1.009 40.016 39.000 0.012 0.000 1.128 378 F HN 0.420 nan 8.300 nan 0.000 0.466 379 H N 4.578 123.688 119.070 0.067 0.000 2.589 379 H HA 0.229 4.785 4.556 -0.000 0.000 0.335 379 H C -1.574 173.917 175.328 0.271 0.000 1.019 379 H CA -0.622 55.512 56.048 0.143 0.000 1.213 379 H CB 1.111 30.875 29.762 0.003 0.000 1.472 379 H HN 0.563 nan 8.280 nan 0.000 0.508 380 Y N 3.530 123.985 120.300 0.258 0.000 2.331 380 Y HA 0.392 4.942 4.550 -0.000 0.000 0.338 380 Y C -0.951 175.059 175.900 0.183 0.000 0.976 380 Y CA -0.664 57.585 58.100 0.247 0.000 1.137 380 Y CB 0.702 39.301 38.460 0.232 0.000 1.172 380 Y HN 0.589 nan 8.280 nan 0.000 0.478 381 N N 6.736 125.311 118.700 -0.207 0.000 2.399 381 N HA 0.212 4.952 4.740 -0.000 0.000 0.280 381 N C -1.939 173.411 175.510 -0.267 0.000 1.008 381 N CA -0.426 52.551 53.050 -0.123 0.000 0.894 381 N CB 1.438 39.897 38.487 -0.046 0.000 1.273 381 N HN 0.642 nan 8.380 nan 0.000 0.486 382 F N 4.610 124.417 119.950 -0.238 0.000 2.359 382 F HA 0.434 4.961 4.527 -0.000 0.000 0.370 382 F C -2.071 173.632 175.800 -0.162 0.000 1.077 382 F CA -1.742 56.133 58.000 -0.208 0.000 1.136 382 F CB 0.956 39.956 39.000 0.001 0.000 1.387 382 F HN 0.287 nan 8.300 nan 0.000 0.468 383 P HA 0.281 nan 4.420 nan 0.000 0.276 383 P C -2.416 174.533 177.300 -0.585 0.000 1.244 383 P CA -1.502 61.307 63.100 -0.485 0.000 0.801 383 P CB 0.887 32.169 31.700 -0.697 0.000 1.006 384 P HA -0.122 nan 4.420 nan 0.000 0.223 384 P C 1.309 178.511 177.300 -0.164 0.000 1.151 384 P CA 1.216 64.220 63.100 -0.159 0.000 0.787 384 P CB -0.374 31.313 31.700 -0.020 0.000 0.788 385 Y N 0.009 120.224 120.300 -0.141 0.000 2.583 385 Y HA 0.038 4.588 4.550 -0.000 0.000 0.293 385 Y C 2.192 178.000 175.900 -0.154 0.000 1.157 385 Y CA 0.637 58.665 58.100 -0.121 0.000 1.315 385 Y CB -1.506 36.897 38.460 -0.095 0.000 1.021 385 Y HN -0.054 nan 8.280 nan 0.000 0.536 386 S N 0.602 116.015 115.700 -0.479 0.000 2.387 386 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 386 S C 1.752 176.232 174.600 -0.199 0.000 1.026 386 S CA 1.225 59.186 58.200 -0.398 0.000 0.972 386 S CB -1.104 61.654 63.200 -0.736 0.000 0.814 386 S HN 0.470 nan 8.310 nan 0.000 0.477 387 V N -2.046 117.763 119.914 -0.175 0.000 2.825 387 V HA 0.619 4.739 4.120 -0.000 0.000 0.246 387 V C 1.664 177.717 176.094 -0.069 0.000 1.068 387 V CA 0.438 62.691 62.300 -0.078 0.000 1.088 387 V CB -1.077 30.741 31.823 -0.009 0.000 0.733 387 V HN 0.912 nan 8.190 nan 0.000 0.468 388 G N -0.138 108.636 108.800 -0.044 0.000 2.189 388 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.113 388 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.113 388 G C -0.324 174.573 174.900 -0.006 0.000 1.038 388 G CA 0.053 45.142 45.100 -0.017 0.000 0.704 388 G HN 0.615 nan 8.290 nan 0.000 0.490 389 E N -0.250 119.950 120.200 -0.001 0.000 2.393 389 E HA 0.705 5.055 4.350 -0.000 0.000 0.265 389 E C -0.112 176.501 176.600 0.021 0.000 0.941 389 E CA -0.529 55.877 56.400 0.011 0.000 0.801 389 E CB 1.615 31.322 29.700 0.012 0.000 1.313 389 E HN 0.313 nan 8.360 nan 0.000 0.435 390 T N -1.416 113.152 114.554 0.023 0.000 2.794 390 T HA 0.753 5.103 4.350 -0.000 0.000 0.280 390 T C 0.057 174.773 174.700 0.027 0.000 0.987 390 T CA -0.738 61.379 62.100 0.027 0.000 0.993 390 T CB 1.382 70.264 68.868 0.023 0.000 0.939 390 T HN 0.565 nan 8.240 nan 0.000 0.449 391 G N 2.800 111.619 108.800 0.031 0.000 2.692 391 G HA2 0.555 4.515 3.960 -0.000 0.000 0.291 391 G HA3 0.555 4.515 3.960 -0.000 0.000 0.291 391 G C -0.834 174.087 174.900 0.034 0.000 1.423 391 G CA -1.134 43.985 45.100 0.032 0.000 0.843 391 G HN 0.648 nan 8.290 nan 0.000 0.486 392 M N 0.354 119.974 119.600 0.033 0.000 2.242 392 M HA 0.361 4.841 4.480 -0.000 0.000 0.344 392 M C 0.148 176.472 176.300 0.040 0.000 1.140 392 M CA -0.463 54.857 55.300 0.034 0.000 1.160 392 M CB 1.302 33.920 32.600 0.029 0.000 1.491 392 M HN 0.168 nan 8.290 nan 0.000 0.459 393 V N 2.212 122.150 119.914 0.040 0.000 2.724 393 V HA 0.311 4.431 4.120 -0.000 0.000 0.341 393 V C 0.739 176.859 176.094 0.044 0.000 1.254 393 V CA -0.060 62.266 62.300 0.044 0.000 1.261 393 V CB 0.398 32.249 31.823 0.046 0.000 1.445 393 V HN 1.104 nan 8.190 nan 0.000 0.652 394 G N 0.884 109.710 108.800 0.043 0.000 2.508 394 G HA2 0.208 4.168 3.960 -0.000 0.000 0.217 394 G HA3 0.208 4.168 3.960 -0.000 0.000 0.217 394 G C 0.560 175.488 174.900 0.046 0.000 2.004 394 G CA 0.643 45.767 45.100 0.040 0.000 0.750 394 G HN 0.570 nan 8.290 nan 0.000 0.730 395 S N 1.758 117.484 115.700 0.043 0.000 2.576 395 S HA 0.508 4.978 4.470 -0.000 0.000 0.276 395 S C -2.655 171.979 174.600 0.057 0.000 1.339 395 S CA -0.954 57.273 58.200 0.046 0.000 1.039 395 S CB 1.117 64.339 63.200 0.036 0.000 0.902 395 S HN 0.182 nan 8.310 nan 0.000 0.516 396 P HA 0.261 nan 4.420 nan 0.000 0.271 396 P C -0.227 177.117 177.300 0.073 0.000 1.216 396 P CA -0.392 62.758 63.100 0.084 0.000 0.771 396 P CB 0.409 32.158 31.700 0.082 0.000 0.864 397 K N 1.925 122.380 120.400 0.092 0.000 2.132 397 K HA 0.183 4.503 4.320 -0.000 0.000 0.240 397 K C 1.590 178.215 176.600 0.043 0.000 1.036 397 K CA -0.294 56.033 56.287 0.068 0.000 0.888 397 K CB 0.455 33.005 32.500 0.083 0.000 1.071 397 K HN 0.293 nan 8.250 nan 0.000 0.502 398 R N 0.984 121.493 120.500 0.014 0.000 2.081 398 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 398 R C 2.214 178.479 176.300 -0.058 0.000 1.131 398 R CA 1.936 58.025 56.100 -0.017 0.000 0.960 398 R CB -0.223 30.064 30.300 -0.022 0.000 0.856 398 R HN 0.559 nan 8.270 nan 0.000 0.436 399 R N 0.466 120.931 120.500 -0.059 0.000 2.193 399 R HA -0.012 4.328 4.340 -0.000 0.000 0.213 399 R C 1.789 178.050 176.300 -0.064 0.000 1.055 399 R CA 1.233 57.247 56.100 -0.143 0.000 0.995 399 R CB -0.216 30.040 30.300 -0.073 0.000 0.893 399 R HN 0.260 nan 8.270 nan 0.000 0.459 400 E N 1.461 121.711 120.200 0.082 0.000 2.204 400 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 400 E C 1.614 178.312 176.600 0.164 0.000 0.989 400 E CA 0.988 57.548 56.400 0.267 0.000 0.824 400 E CB 0.068 29.948 29.700 0.301 0.000 0.756 400 E HN 0.520 nan 8.360 nan 0.000 0.477 401 I N -0.314 120.275 120.570 0.031 0.000 2.703 401 I HA 0.037 4.207 4.170 -0.000 0.000 0.259 401 I C 2.434 178.491 176.117 -0.101 0.000 1.151 401 I CA 0.657 61.950 61.300 -0.012 0.000 1.470 401 I CB -0.133 37.857 38.000 -0.015 0.000 1.112 401 I HN 0.122 nan 8.210 nan 0.000 0.437 402 G N 0.334 109.019 108.800 -0.192 0.000 2.402 402 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 402 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 402 G C 1.356 176.017 174.900 -0.399 0.000 1.162 402 G CA 0.740 45.660 45.100 -0.300 0.000 0.777 402 G HN 0.425 nan 8.290 nan 0.000 0.539 403 H N -0.205 118.610 119.070 -0.425 0.000 2.495 403 H HA 0.119 4.675 4.556 -0.000 0.000 0.287 403 H C 2.732 177.768 175.328 -0.487 0.000 1.033 403 H CA 0.499 56.170 56.048 -0.628 0.000 1.307 403 H CB 0.214 29.207 29.762 -1.281 0.000 1.401 403 H HN 0.379 nan 8.280 nan 0.000 0.555 404 G N 0.530 109.221 108.800 -0.181 0.000 2.402 404 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.216 404 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.216 404 G C 1.778 176.647 174.900 -0.052 0.000 1.162 404 G CA 0.475 45.603 45.100 0.047 0.000 0.777 404 G HN 0.213 nan 8.290 nan 0.000 0.539 405 R N 0.027 120.476 120.500 -0.084 0.000 2.115 405 R HA 0.244 4.584 4.340 -0.000 0.000 0.226 405 R C 2.374 178.600 176.300 -0.123 0.000 1.100 405 R CA 0.650 56.706 56.100 -0.072 0.000 0.980 405 R CB -0.730 29.532 30.300 -0.064 0.000 0.875 405 R HN 0.382 nan 8.270 nan 0.000 0.445 406 L N -0.446 120.677 121.223 -0.167 0.000 2.046 406 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 406 L C 1.962 178.703 176.870 -0.214 0.000 1.077 406 L CA 1.694 56.434 54.840 -0.167 0.000 0.747 406 L CB -0.355 41.612 42.059 -0.152 0.000 0.896 406 L HN 0.332 nan 8.230 nan 0.000 0.432 407 A N -0.886 121.729 122.820 -0.341 0.000 2.067 407 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 407 A C 2.304 179.450 177.584 -0.729 0.000 1.156 407 A CA 1.365 53.046 52.037 -0.593 0.000 0.683 407 A CB -0.331 18.146 19.000 -0.872 0.000 0.808 407 A HN 0.404 nan 8.150 nan 0.000 0.455 408 K N -0.081 120.040 120.400 -0.465 0.000 2.062 408 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 408 K C 2.076 178.709 176.600 0.054 0.000 1.051 408 K CA 1.110 57.417 56.287 0.032 0.000 0.941 408 K CB -0.139 32.476 32.500 0.191 0.000 0.719 408 K HN 0.411 nan 8.250 nan 0.000 0.440 409 R N -0.556 119.917 120.500 -0.045 0.000 2.189 409 R HA -0.027 4.313 4.340 -0.000 0.000 0.218 409 R C 2.221 178.475 176.300 -0.076 0.000 1.074 409 R CA 0.935 57.005 56.100 -0.049 0.000 0.991 409 R CB -0.115 30.150 30.300 -0.059 0.000 0.883 409 R HN 0.303 nan 8.270 nan 0.000 0.457 410 G N 0.066 108.806 108.800 -0.101 0.000 2.484 410 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.218 410 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.218 410 G C 1.105 175.959 174.900 -0.077 0.000 1.130 410 G CA 0.448 45.492 45.100 -0.093 0.000 0.784 410 G HN 0.178 nan 8.290 nan 0.000 0.543 411 V N -0.122 119.747 119.914 -0.074 0.000 3.477 411 V HA 0.243 4.363 4.120 -0.000 0.000 0.297 411 V C 1.956 177.883 176.094 -0.279 0.000 1.433 411 V CA -0.157 62.078 62.300 -0.108 0.000 1.052 411 V CB 0.678 32.519 31.823 0.029 0.000 0.895 411 V HN 0.224 nan 8.190 nan 0.000 0.438 412 L N 1.790 122.875 121.223 -0.229 0.000 2.093 412 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 412 L C 2.481 179.246 176.870 -0.176 0.000 1.085 412 L CA 2.382 57.072 54.840 -0.249 0.000 0.755 412 L CB -0.457 41.543 42.059 -0.099 0.000 0.904 412 L HN 0.267 nan 8.230 nan 0.000 0.435 413 A N -1.466 121.283 122.820 -0.119 0.000 1.968 413 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 413 A C 2.120 179.652 177.584 -0.087 0.000 1.169 413 A CA 1.622 53.610 52.037 -0.083 0.000 0.638 413 A CB -0.775 18.188 19.000 -0.062 0.000 0.812 413 A HN 0.287 nan 8.150 nan 0.000 0.446 414 V N -0.760 119.090 119.914 -0.108 0.000 2.719 414 V HA -0.042 4.078 4.120 -0.000 0.000 0.252 414 V C 1.383 177.410 176.094 -0.112 0.000 1.065 414 V CA 0.932 63.175 62.300 -0.095 0.000 1.086 414 V CB -0.969 30.802 31.823 -0.087 0.000 0.700 414 V HN 0.596 nan 8.190 nan 0.000 0.467 415 M N 2.794 122.290 119.600 -0.173 0.000 2.269 415 M HA 0.217 4.697 4.480 -0.000 0.000 0.350 415 M C -1.989 174.270 176.300 -0.069 0.000 1.429 415 M CA -2.158 53.038 55.300 -0.172 0.000 1.063 415 M CB 0.072 32.459 32.600 -0.354 0.000 1.841 415 M HN 0.008 nan 8.290 nan 0.000 0.455 416 P HA 0.165 nan 4.420 nan 0.000 0.272 416 P C -1.247 176.112 177.300 0.099 0.000 1.240 416 P CA -0.333 62.791 63.100 0.040 0.000 0.791 416 P CB 0.328 32.058 31.700 0.050 0.000 0.978 417 D N 0.119 120.577 120.400 0.096 0.000 2.529 417 D HA 0.130 4.770 4.640 -0.000 0.000 0.273 417 D C 1.372 177.742 176.300 0.116 0.000 1.197 417 D CA -0.521 53.533 54.000 0.092 0.000 1.070 417 D CB 0.140 40.974 40.800 0.056 0.000 1.134 417 D HN 0.068 nan 8.370 nan 0.000 0.590 418 M N -0.124 119.520 119.600 0.073 0.000 2.394 418 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 418 M C 0.671 176.995 176.300 0.039 0.000 1.073 418 M CA 0.968 56.294 55.300 0.044 0.000 1.111 418 M CB -0.694 31.914 32.600 0.014 0.000 1.401 418 M HN 0.398 nan 8.290 nan 0.000 0.448 419 D N 0.169 120.598 120.400 0.048 0.000 2.219 419 D HA -0.128 4.512 4.640 -0.000 0.000 0.205 419 D C 2.025 178.363 176.300 0.063 0.000 0.970 419 D CA 1.104 55.130 54.000 0.042 0.000 0.851 419 D CB 0.086 40.907 40.800 0.036 0.000 0.943 419 D HN 0.382 nan 8.370 nan 0.000 0.488 420 K N -1.461 119.001 120.400 0.103 0.000 2.367 420 K HA 0.035 4.355 4.320 -0.000 0.000 0.198 420 K C -0.420 176.335 176.600 0.258 0.000 1.132 420 K CA -0.093 56.279 56.287 0.143 0.000 0.941 420 K CB 0.802 33.376 32.500 0.123 0.000 1.052 420 K HN -0.051 nan 8.250 nan 0.000 0.507 421 F N 3.412 123.408 119.950 0.077 0.000 2.810 421 F HA 0.378 4.905 4.527 -0.000 0.000 0.373 421 F C -2.602 173.280 175.800 0.137 0.000 1.174 421 F CA -2.570 55.514 58.000 0.141 0.000 1.141 421 F CB 1.797 40.873 39.000 0.126 0.000 1.420 421 F HN -0.112 nan 8.300 nan 0.000 0.518 422 P HA 0.222 nan 4.420 nan 0.000 0.209 422 P C -1.645 175.265 177.300 -0.650 0.000 1.843 422 P CA 0.068 62.970 63.100 -0.330 0.000 0.985 422 P CB -0.425 31.101 31.700 -0.291 0.000 1.904 423 Y N -0.306 119.654 120.300 -0.568 0.000 2.442 423 Y HA 0.335 4.885 4.550 -0.000 0.000 0.344 423 Y C 0.877 176.677 175.900 -0.166 0.000 0.976 423 Y CA -0.721 57.104 58.100 -0.458 0.000 1.040 423 Y CB 1.810 39.808 38.460 -0.770 0.000 1.228 423 Y HN -0.081 nan 8.280 nan 0.000 0.451 424 T N 0.473 115.052 114.554 0.043 0.000 2.737 424 T HA 0.531 4.881 4.350 -0.000 0.000 0.296 424 T C -0.476 174.273 174.700 0.081 0.000 0.922 424 T CA -0.576 61.563 62.100 0.066 0.000 1.079 424 T CB -0.013 68.867 68.868 0.019 0.000 0.892 424 T HN 0.306 nan 8.240 nan 0.000 0.514 425 V N 4.643 124.633 119.914 0.127 0.000 2.370 425 V HA 0.505 4.625 4.120 -0.000 0.000 0.283 425 V C 0.399 176.449 176.094 -0.073 0.000 1.023 425 V CA -0.991 61.360 62.300 0.086 0.000 0.857 425 V CB 1.321 33.289 31.823 0.242 0.000 0.985 425 V HN 0.916 nan 8.190 nan 0.000 0.443 426 R N 3.842 124.260 120.500 -0.135 0.000 2.265 426 R HA 0.669 5.009 4.340 -0.000 0.000 0.328 426 R C -1.528 174.595 176.300 -0.295 0.000 0.969 426 R CA -0.370 55.582 56.100 -0.247 0.000 0.832 426 R CB 1.552 31.709 30.300 -0.239 0.000 1.139 426 R HN 0.559 nan 8.270 nan 0.000 0.457 427 V N 5.825 125.469 119.914 -0.450 0.000 2.347 427 V HA 0.324 4.444 4.120 -0.000 0.000 0.280 427 V C -0.376 175.360 176.094 -0.598 0.000 1.021 427 V CA -0.731 61.244 62.300 -0.542 0.000 0.847 427 V CB 1.618 32.995 31.823 -0.744 0.000 0.990 427 V HN 0.486 nan 8.190 nan 0.000 0.444 428 V N 3.762 123.460 119.914 -0.361 0.000 2.384 428 V HA 0.473 4.593 4.120 -0.000 0.000 0.287 428 V C 0.241 176.253 176.094 -0.136 0.000 1.020 428 V CA -0.296 61.884 62.300 -0.201 0.000 0.850 428 V CB 1.828 33.573 31.823 -0.130 0.000 0.987 428 V HN 0.819 nan 8.190 nan 0.000 0.436 429 S N 3.843 119.521 115.700 -0.037 0.000 2.438 429 S HA 0.435 4.905 4.470 -0.000 0.000 0.316 429 S C -0.430 174.151 174.600 -0.033 0.000 1.084 429 S CA -0.638 57.583 58.200 0.036 0.000 1.107 429 S CB 0.553 63.896 63.200 0.238 0.000 0.981 429 S HN 0.707 nan 8.310 nan 0.000 0.466 430 E N 4.369 124.549 120.200 -0.033 0.000 2.063 430 E HA 0.278 4.628 4.350 -0.000 0.000 0.265 430 E C -0.677 175.873 176.600 -0.083 0.000 0.919 430 E CA -0.532 55.827 56.400 -0.068 0.000 0.756 430 E CB 0.879 30.569 29.700 -0.016 0.000 1.120 430 E HN 0.565 nan 8.360 nan 0.000 0.414 431 I N 2.583 123.042 120.570 -0.185 0.000 2.505 431 I HA -0.065 4.105 4.170 -0.000 0.000 0.287 431 I C 1.812 177.782 176.117 -0.245 0.000 1.104 431 I CA 0.519 61.709 61.300 -0.182 0.000 1.387 431 I CB 0.672 38.550 38.000 -0.204 0.000 1.404 431 I HN 0.413 nan 8.210 nan 0.000 0.528 432 T N 1.572 116.068 114.554 -0.098 0.000 3.039 432 T HA 0.287 4.637 4.350 -0.000 0.000 0.250 432 T C 0.557 175.234 174.700 -0.038 0.000 1.052 432 T CA 0.061 62.156 62.100 -0.007 0.000 1.125 432 T CB 0.064 68.980 68.868 0.080 0.000 0.908 432 T HN 0.507 nan 8.240 nan 0.000 0.473 433 E N 0.478 120.647 120.200 -0.052 0.000 2.314 433 E HA 0.597 4.947 4.350 -0.000 0.000 0.272 433 E C -1.631 174.957 176.600 -0.020 0.000 0.884 433 E CA -0.683 55.695 56.400 -0.037 0.000 0.753 433 E CB 2.324 32.025 29.700 0.003 0.000 1.213 433 E HN 0.094 nan 8.360 nan 0.000 0.432 434 S N 1.835 117.530 115.700 -0.009 0.000 2.721 434 S HA 0.315 4.785 4.470 -0.000 0.000 0.264 434 S C -0.665 173.988 174.600 0.088 0.000 1.161 434 S CA -0.358 57.894 58.200 0.087 0.000 1.113 434 S CB 0.409 63.728 63.200 0.200 0.000 1.079 434 S HN 0.631 nan 8.310 nan 0.000 0.479 435 N N 3.731 122.483 118.700 0.086 0.000 2.441 435 N HA 0.283 5.023 4.740 -0.000 0.000 0.257 435 N C 1.423 176.992 175.510 0.097 0.000 1.058 435 N CA 1.062 54.161 53.050 0.082 0.000 0.853 435 N CB -0.315 38.207 38.487 0.057 0.000 1.694 435 N HN 0.563 nan 8.380 nan 0.000 0.542 436 G N 0.071 108.924 108.800 0.089 0.000 2.622 436 G HA2 0.160 4.120 3.960 -0.000 0.000 0.206 436 G HA3 0.160 4.120 3.960 -0.000 0.000 0.206 436 G C -0.282 174.661 174.900 0.072 0.000 1.458 436 G CA 0.965 46.116 45.100 0.084 0.000 0.919 436 G HN 0.533 nan 8.290 nan 0.000 0.508 437 S N -1.170 114.576 115.700 0.077 0.000 2.733 437 S HA 0.623 5.093 4.470 -0.000 0.000 0.294 437 S C -0.583 174.056 174.600 0.065 0.000 1.149 437 S CA -0.375 57.856 58.200 0.052 0.000 1.034 437 S CB 1.851 65.080 63.200 0.048 0.000 1.015 437 S HN 0.469 nan 8.310 nan 0.000 0.486 438 S N 2.098 117.816 115.700 0.030 0.000 2.671 438 S HA 0.687 5.157 4.470 -0.000 0.000 0.272 438 S C 1.168 175.763 174.600 -0.008 0.000 1.174 438 S CA 0.593 58.832 58.200 0.065 0.000 1.004 438 S CB 0.844 64.110 63.200 0.110 0.000 1.077 438 S HN 1.933 nan 8.310 nan 0.000 0.553 439 S N -0.486 115.278 115.700 0.106 0.000 1.706 439 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 439 S C 0.378 175.001 174.600 0.039 0.000 0.861 439 S CA 1.738 59.969 58.200 0.053 0.000 1.488 439 S CB -1.458 61.715 63.200 -0.045 0.000 1.943 439 S HN 0.654 nan 8.310 nan 0.000 0.533 440 M N 1.107 120.721 119.600 0.023 0.000 2.228 440 M HA 0.546 5.026 4.480 -0.000 0.000 0.326 440 M C 1.742 178.075 176.300 0.056 0.000 1.122 440 M CA 1.016 56.325 55.300 0.016 0.000 1.161 440 M CB -0.094 32.517 32.600 0.018 0.000 1.437 440 M HN 1.412 nan 8.290 nan 0.000 0.465 441 A N 0.879 123.696 122.820 -0.005 0.000 3.721 441 A HA -0.216 4.104 4.320 -0.000 0.000 0.270 441 A C 1.672 179.246 177.584 -0.016 0.000 1.036 441 A CA 1.799 53.815 52.037 -0.035 0.000 1.102 441 A CB -2.007 17.173 19.000 0.299 0.000 1.100 441 A HN 0.741 nan 8.150 nan 0.000 0.887 442 S N -1.596 114.141 115.700 0.062 0.000 2.475 442 S HA 0.138 4.608 4.470 -0.000 0.000 0.224 442 S C 1.711 176.411 174.600 0.166 0.000 1.042 442 S CA 0.897 59.200 58.200 0.172 0.000 0.935 442 S CB 0.156 63.533 63.200 0.295 0.000 0.801 442 S HN 0.681 nan 8.310 nan 0.000 0.509 443 V N 1.262 121.194 119.914 0.030 0.000 2.453 443 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 443 V C 2.311 178.361 176.094 -0.073 0.000 1.048 443 V CA 1.335 63.635 62.300 0.001 0.000 1.049 443 V CB -0.923 30.861 31.823 -0.065 0.000 0.672 443 V HN 0.563 nan 8.190 nan 0.000 0.457 444 C N 1.065 120.206 119.300 -0.266 0.000 2.429 444 C HA -0.035 4.425 4.460 -0.000 0.000 0.277 444 C C 2.884 177.643 174.990 -0.386 0.000 1.262 444 C CA 0.839 59.549 59.018 -0.513 0.000 1.733 444 C CB -1.650 25.314 27.740 -1.295 0.000 2.010 444 C HN 0.653 nan 8.230 nan 0.000 0.483 445 G N 0.006 108.648 108.800 -0.264 0.000 2.484 445 G HA2 0.135 4.095 3.960 -0.000 0.000 0.218 445 G HA3 0.135 4.095 3.960 -0.000 0.000 0.218 445 G C 1.786 176.722 174.900 0.060 0.000 1.130 445 G CA 0.855 45.948 45.100 -0.012 0.000 0.784 445 G HN 0.600 nan 8.290 nan 0.000 0.543 446 A N 0.672 123.560 122.820 0.113 0.000 1.898 446 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 446 A C 2.578 180.235 177.584 0.121 0.000 1.181 446 A CA 2.120 54.272 52.037 0.191 0.000 0.620 446 A CB -0.674 18.589 19.000 0.438 0.000 0.819 446 A HN 0.372 nan 8.150 nan 0.000 0.442 447 S N -0.621 115.118 115.700 0.064 0.000 2.402 447 S HA -0.031 4.439 4.470 -0.000 0.000 0.229 447 S C 1.829 176.444 174.600 0.025 0.000 1.021 447 S CA 1.205 59.423 58.200 0.030 0.000 0.974 447 S CB -0.456 62.742 63.200 -0.003 0.000 0.800 447 S HN 0.486 nan 8.310 nan 0.000 0.484 448 L N 0.728 121.969 121.223 0.031 0.000 2.179 448 L HA 0.107 4.447 4.340 -0.000 0.000 0.208 448 L C 2.827 179.722 176.870 0.041 0.000 1.096 448 L CA 1.004 55.870 54.840 0.043 0.000 0.779 448 L CB -0.534 41.569 42.059 0.075 0.000 0.922 448 L HN 0.348 nan 8.230 nan 0.000 0.443 449 A N 0.110 122.957 122.820 0.045 0.000 1.930 449 A HA -0.045 4.275 4.320 -0.000 0.000 0.215 449 A C 2.236 179.839 177.584 0.032 0.000 1.176 449 A CA 0.988 53.047 52.037 0.036 0.000 0.632 449 A CB -0.484 18.532 19.000 0.027 0.000 0.819 449 A HN 0.312 nan 8.150 nan 0.000 0.445 450 L N -1.141 120.104 121.223 0.038 0.000 2.093 450 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 450 L C 2.761 179.621 176.870 -0.016 0.000 1.085 450 L CA 1.203 56.056 54.840 0.023 0.000 0.755 450 L CB -0.354 41.728 42.059 0.038 0.000 0.904 450 L HN 0.389 nan 8.230 nan 0.000 0.435 451 M N -0.868 118.725 119.600 -0.011 0.000 2.254 451 M HA -0.182 4.298 4.480 -0.000 0.000 0.265 451 M C 1.672 177.965 176.300 -0.012 0.000 1.066 451 M CA 1.402 56.688 55.300 -0.023 0.000 1.123 451 M CB -0.296 32.296 32.600 -0.013 0.000 1.388 451 M HN 0.156 nan 8.290 nan 0.000 0.425 452 D N 0.361 120.764 120.400 0.005 0.000 2.183 452 D HA -0.037 4.603 4.640 -0.000 0.000 0.203 452 D C 1.826 178.136 176.300 0.016 0.000 0.969 452 D CA 1.321 55.328 54.000 0.011 0.000 0.842 452 D CB 0.245 41.057 40.800 0.020 0.000 0.957 452 D HN 0.258 nan 8.370 nan 0.000 0.484 453 A N -0.621 122.212 122.820 0.021 0.000 1.968 453 A HA 0.349 4.669 4.320 -0.000 0.000 0.217 453 A C 1.903 179.494 177.584 0.011 0.000 1.169 453 A CA 1.386 53.448 52.037 0.041 0.000 0.638 453 A CB -0.391 18.639 19.000 0.050 0.000 0.812 453 A HN 0.486 nan 8.150 nan 0.000 0.446 454 G N -1.911 106.870 108.800 -0.032 0.000 2.135 454 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.183 454 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.183 454 G C -0.038 174.756 174.900 -0.175 0.000 1.004 454 G CA -0.106 44.953 45.100 -0.068 0.000 0.677 454 G HN 0.770 nan 8.290 nan 0.000 0.512 455 V N 2.385 122.161 119.914 -0.231 0.000 2.427 455 V HA 0.346 4.466 4.120 -0.000 0.000 0.268 455 V C -1.125 174.708 176.094 -0.434 0.000 1.046 455 V CA -0.932 61.057 62.300 -0.517 0.000 0.970 455 V CB 1.186 32.814 31.823 -0.325 0.000 1.001 455 V HN 0.254 nan 8.190 nan 0.000 0.476 456 P HA 0.159 nan 4.420 nan 0.000 0.249 456 P C -0.001 177.166 177.300 -0.222 0.000 1.737 456 P CA -0.003 62.919 63.100 -0.297 0.000 1.128 456 P CB -0.324 31.229 31.700 -0.246 0.000 1.942 457 I N -1.675 118.793 120.570 -0.170 0.000 2.823 457 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 457 I C 1.407 177.477 176.117 -0.079 0.000 1.091 457 I CA -0.739 60.492 61.300 -0.114 0.000 1.365 457 I CB 0.872 38.818 38.000 -0.091 0.000 1.427 457 I HN -0.096 nan 8.210 nan 0.000 0.583 458 K N 2.935 123.297 120.400 -0.063 0.000 2.002 458 K HA 0.077 4.397 4.320 -0.000 0.000 0.209 458 K C 0.665 177.242 176.600 -0.039 0.000 1.048 458 K CA 1.781 58.041 56.287 -0.045 0.000 0.930 458 K CB -0.180 32.296 32.500 -0.040 0.000 0.714 458 K HN 0.867 nan 8.250 nan 0.000 0.438 459 A N -0.340 122.457 122.820 -0.039 0.000 2.568 459 A HA 0.678 4.998 4.320 -0.000 0.000 0.291 459 A C -1.646 175.920 177.584 -0.029 0.000 1.159 459 A CA -0.548 51.471 52.037 -0.030 0.000 0.679 459 A CB 0.813 19.799 19.000 -0.024 0.000 1.285 459 A HN 0.150 nan 8.150 nan 0.000 0.428 460 A N -0.568 122.239 122.820 -0.022 0.000 2.388 460 A HA 0.579 4.899 4.320 -0.000 0.000 0.257 460 A C -0.278 177.292 177.584 -0.023 0.000 1.095 460 A CA -0.032 51.993 52.037 -0.019 0.000 0.791 460 A CB 0.436 19.430 19.000 -0.010 0.000 1.029 460 A HN 2.041 nan 8.150 nan 0.000 0.489 461 V N 1.684 121.581 119.914 -0.028 0.000 2.638 461 V HA 0.774 4.894 4.120 -0.000 0.000 0.306 461 V C 0.002 176.064 176.094 -0.054 0.000 1.052 461 V CA 0.322 62.601 62.300 -0.036 0.000 0.885 461 V CB 1.369 33.170 31.823 -0.037 0.000 0.999 461 V HN 1.623 nan 8.190 nan 0.000 0.424 462 A N 4.339 127.129 122.820 -0.050 0.000 2.435 462 A HA 1.073 5.393 4.320 -0.000 0.000 0.296 462 A C -0.116 177.438 177.584 -0.050 0.000 1.147 462 A CA -0.272 51.722 52.037 -0.072 0.000 0.775 462 A CB 2.112 21.092 19.000 -0.034 0.000 1.340 462 A HN 1.872 nan 8.150 nan 0.000 0.427 463 G N -0.648 108.121 108.800 -0.051 0.000 2.755 463 G HA2 0.688 4.648 3.960 -0.000 0.000 0.297 463 G HA3 0.688 4.648 3.960 -0.000 0.000 0.297 463 G C -1.390 173.519 174.900 0.015 0.000 1.441 463 G CA -0.128 44.959 45.100 -0.022 0.000 0.964 463 G HN 1.410 nan 8.290 nan 0.000 0.540 464 I N -0.904 119.687 120.570 0.035 0.000 3.191 464 I HA 0.940 5.110 4.170 -0.000 0.000 0.313 464 I C 0.018 176.169 176.117 0.057 0.000 1.193 464 I CA -1.810 59.528 61.300 0.062 0.000 0.968 464 I CB 1.740 39.792 38.000 0.087 0.000 1.262 464 I HN 0.851 nan 8.210 nan 0.000 0.456 465 A N 3.515 126.376 122.820 0.068 0.000 2.340 465 A HA 0.969 5.289 4.320 -0.000 0.000 0.331 465 A C -0.595 177.052 177.584 0.105 0.000 1.140 465 A CA -0.642 51.440 52.037 0.075 0.000 0.801 465 A CB 1.222 20.253 19.000 0.051 0.000 1.234 465 A HN 0.639 nan 8.150 nan 0.000 0.469 466 M N 0.940 120.633 119.600 0.155 0.000 2.662 466 M HA 0.622 5.102 4.480 -0.000 0.000 0.310 466 M C 0.261 176.634 176.300 0.122 0.000 1.204 466 M CA -0.434 54.952 55.300 0.143 0.000 0.891 466 M CB 1.656 34.359 32.600 0.172 0.000 1.732 466 M HN 0.910 nan 8.290 nan 0.000 0.467 467 G N 0.881 109.723 108.800 0.070 0.000 2.605 467 G HA2 0.796 4.756 3.960 -0.000 0.000 0.296 467 G HA3 0.796 4.756 3.960 -0.000 0.000 0.296 467 G C -2.318 172.598 174.900 0.027 0.000 1.304 467 G CA -0.449 44.682 45.100 0.051 0.000 0.941 467 G HN 0.574 nan 8.290 nan 0.000 0.475 468 L N 0.559 121.795 121.223 0.022 0.000 2.431 468 L HA 0.736 5.076 4.340 -0.000 0.000 0.266 468 L C -1.030 175.854 176.870 0.022 0.000 0.978 468 L CA -0.684 54.167 54.840 0.019 0.000 0.822 468 L CB 2.512 44.567 42.059 -0.006 0.000 1.310 468 L HN 0.345 nan 8.230 nan 0.000 0.409 469 V N 4.671 124.604 119.914 0.031 0.000 2.350 469 V HA 0.547 4.667 4.120 -0.000 0.000 0.285 469 V C -0.485 175.632 176.094 0.039 0.000 1.014 469 V CA -0.617 61.695 62.300 0.021 0.000 0.831 469 V CB 1.430 33.256 31.823 0.005 0.000 1.000 469 V HN 0.708 nan 8.190 nan 0.000 0.433 470 K N 3.666 124.084 120.400 0.029 0.000 2.637 470 K HA 0.425 4.745 4.320 -0.000 0.000 0.248 470 K C 0.253 176.863 176.600 0.016 0.000 0.971 470 K CA -0.325 55.985 56.287 0.038 0.000 0.858 470 K CB 2.091 34.614 32.500 0.037 0.000 1.170 470 K HN 0.757 nan 8.250 nan 0.000 0.443 471 E N 2.308 122.516 120.200 0.014 0.000 2.279 471 E HA 0.120 4.470 4.350 -0.000 0.000 0.199 471 E C 0.961 177.564 176.600 0.005 0.000 0.893 471 E CA 0.514 56.916 56.400 0.004 0.000 0.978 471 E CB 0.338 30.037 29.700 -0.002 0.000 0.964 471 E HN 0.746 nan 8.360 nan 0.000 0.486 472 G N 0.880 109.686 108.800 0.009 0.000 3.056 472 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.175 472 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.175 472 G C 0.622 175.533 174.900 0.017 0.000 1.894 472 G CA 0.829 45.934 45.100 0.009 0.000 0.910 472 G HN 0.400 nan 8.290 nan 0.000 0.462 473 D N -0.886 119.533 120.400 0.031 0.000 2.500 473 D HA 0.069 4.709 4.640 -0.000 0.000 0.217 473 D C 0.053 176.429 176.300 0.127 0.000 1.159 473 D CA -0.480 53.551 54.000 0.052 0.000 0.828 473 D CB -0.761 40.059 40.800 0.034 0.000 1.039 473 D HN 0.330 nan 8.370 nan 0.000 0.512 474 N N 0.531 119.288 118.700 0.096 0.000 2.518 474 N HA 0.351 5.091 4.740 -0.000 0.000 0.266 474 N C -0.902 174.697 175.510 0.147 0.000 1.196 474 N CA -0.258 52.844 53.050 0.088 0.000 0.947 474 N CB 0.460 38.945 38.487 -0.003 0.000 1.098 474 N HN 0.215 nan 8.380 nan 0.000 0.450 475 Y N -2.075 118.203 120.300 -0.036 0.000 2.504 475 Y HA 0.689 5.239 4.550 -0.000 0.000 0.344 475 Y C -1.579 174.296 175.900 -0.041 0.000 1.023 475 Y CA -1.317 56.758 58.100 -0.042 0.000 1.020 475 Y CB 0.809 39.237 38.460 -0.053 0.000 1.282 475 Y HN 0.130 nan 8.280 nan 0.000 0.454 476 V N 4.096 124.018 119.914 0.014 0.000 2.409 476 V HA 0.386 4.506 4.120 -0.000 0.000 0.290 476 V C -0.558 175.553 176.094 0.029 0.000 1.017 476 V CA -0.945 61.330 62.300 -0.041 0.000 0.841 476 V CB 1.435 33.226 31.823 -0.054 0.000 1.003 476 V HN 0.769 nan 8.190 nan 0.000 0.426 477 V N 6.444 126.381 119.914 0.039 0.000 2.455 477 V HA 0.311 4.431 4.120 -0.000 0.000 0.273 477 V C -0.051 176.049 176.094 0.011 0.000 1.045 477 V CA -0.243 62.076 62.300 0.032 0.000 0.976 477 V CB 1.121 32.960 31.823 0.028 0.000 0.993 477 V HN 0.535 nan 8.190 nan 0.000 0.475 478 L N 4.609 125.842 121.223 0.016 0.000 2.309 478 L HA 0.505 4.845 4.340 -0.000 0.000 0.282 478 L C 0.402 177.290 176.870 0.030 0.000 1.036 478 L CA 0.575 55.427 54.840 0.019 0.000 0.806 478 L CB 1.916 43.989 42.059 0.023 0.000 1.220 478 L HN 0.652 nan 8.230 nan 0.000 0.429 479 S N 1.388 117.105 115.700 0.027 0.000 2.489 479 S HA 0.312 4.782 4.470 -0.000 0.000 0.291 479 S C -0.552 174.073 174.600 0.043 0.000 1.151 479 S CA -0.502 57.720 58.200 0.037 0.000 1.082 479 S CB 0.900 64.114 63.200 0.023 0.000 1.019 479 S HN 0.698 nan 8.310 nan 0.000 0.492 480 D N 1.717 122.152 120.400 0.058 0.000 2.927 480 D HA -0.173 4.467 4.640 -0.000 0.000 0.236 480 D C -0.050 176.287 176.300 0.061 0.000 1.163 480 D CA 0.469 54.508 54.000 0.065 0.000 0.801 480 D CB -1.274 39.566 40.800 0.066 0.000 0.975 480 D HN 0.587 nan 8.370 nan 0.000 0.413 481 I N -1.962 118.644 120.570 0.060 0.000 2.779 481 I HA 0.348 4.518 4.170 -0.000 0.000 0.285 481 I C 0.751 176.907 176.117 0.066 0.000 1.134 481 I CA -0.962 60.373 61.300 0.058 0.000 1.398 481 I CB 0.499 38.529 38.000 0.051 0.000 1.404 481 I HN -0.023 nan 8.210 nan 0.000 0.587 482 L N 3.743 125.013 121.223 0.079 0.000 2.490 482 L HA 0.393 4.733 4.340 -0.000 0.000 0.245 482 L C 1.765 178.703 176.870 0.113 0.000 1.185 482 L CA 0.698 55.599 54.840 0.103 0.000 0.813 482 L CB 0.689 42.824 42.059 0.128 0.000 1.233 482 L HN 0.845 nan 8.230 nan 0.000 0.489 483 G N -1.345 107.552 108.800 0.162 0.000 2.421 483 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 483 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 483 G C 0.941 176.048 174.900 0.344 0.000 1.143 483 G CA 0.394 45.630 45.100 0.227 0.000 0.784 483 G HN 0.670 nan 8.290 nan 0.000 0.541 484 D N 0.469 121.060 120.400 0.319 0.000 2.269 484 D HA 0.001 4.641 4.640 -0.000 0.000 0.208 484 D C 2.206 178.606 176.300 0.166 0.000 0.963 484 D CA 0.549 54.727 54.000 0.296 0.000 0.864 484 D CB 0.030 41.031 40.800 0.333 0.000 0.936 484 D HN 0.445 nan 8.370 nan 0.000 0.505 485 E N -0.131 120.145 120.200 0.127 0.000 2.442 485 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 485 E C 0.985 177.613 176.600 0.047 0.000 1.030 485 E CA 0.262 56.703 56.400 0.069 0.000 0.869 485 E CB 0.415 30.152 29.700 0.061 0.000 0.857 485 E HN 0.104 nan 8.360 nan 0.000 0.505 486 D N -0.301 120.119 120.400 0.033 0.000 2.259 486 D HA -0.046 4.594 4.640 -0.000 0.000 0.216 486 D C 1.516 177.769 176.300 -0.077 0.000 0.961 486 D CA 1.022 54.987 54.000 -0.058 0.000 0.878 486 D CB 0.204 40.910 40.800 -0.156 0.000 1.009 486 D HN 0.153 nan 8.370 nan 0.000 0.490 487 H N -0.634 118.494 119.070 0.096 0.000 2.395 487 H HA 0.185 4.741 4.556 -0.000 0.000 0.299 487 H C 1.620 177.009 175.328 0.101 0.000 1.070 487 H CA 0.965 57.081 56.048 0.113 0.000 1.356 487 H CB 0.234 30.088 29.762 0.153 0.000 1.401 487 H HN 0.101 nan 8.280 nan 0.000 0.524 488 L N 0.073 121.400 121.223 0.173 0.000 2.567 488 L HA 0.190 4.530 4.340 -0.000 0.000 0.225 488 L C 1.549 178.437 176.870 0.030 0.000 1.119 488 L CA -0.181 54.696 54.840 0.061 0.000 0.871 488 L CB 0.057 42.094 42.059 -0.037 0.000 1.036 488 L HN 0.195 nan 8.230 nan 0.000 0.459 489 G N -0.585 108.240 108.800 0.042 0.000 2.516 489 G HA2 0.112 4.072 3.960 -0.000 0.000 0.276 489 G HA3 0.112 4.072 3.960 -0.000 0.000 0.276 489 G C -0.032 174.886 174.900 0.030 0.000 1.390 489 G CA -0.169 44.946 45.100 0.026 0.000 1.050 489 G HN 0.061 nan 8.290 nan 0.000 0.519 490 D N -1.272 119.143 120.400 0.024 0.000 2.514 490 D HA 0.167 4.807 4.640 -0.000 0.000 0.225 490 D C 0.307 176.622 176.300 0.025 0.000 1.159 490 D CA 0.256 54.270 54.000 0.022 0.000 0.823 490 D CB 0.861 41.668 40.800 0.012 0.000 1.097 490 D HN 0.212 nan 8.370 nan 0.000 0.519 491 M N 1.033 120.653 119.600 0.033 0.000 2.371 491 M HA 0.212 4.692 4.480 -0.000 0.000 0.287 491 M C -2.090 174.252 176.300 0.071 0.000 1.149 491 M CA -0.539 54.794 55.300 0.056 0.000 0.929 491 M CB 2.993 35.627 32.600 0.058 0.000 1.683 491 M HN -0.351 nan 8.290 nan 0.000 0.470 492 D N 3.952 124.399 120.400 0.079 0.000 2.462 492 D HA 0.260 4.900 4.640 -0.000 0.000 0.249 492 D C -1.831 174.533 176.300 0.106 0.000 1.117 492 D CA -0.005 54.037 54.000 0.070 0.000 0.900 492 D CB 0.329 41.138 40.800 0.016 0.000 1.039 492 D HN 0.451 nan 8.370 nan 0.000 0.516 493 F N 4.572 124.514 119.950 -0.014 0.000 2.318 493 F HA 0.254 4.781 4.527 -0.000 0.000 0.356 493 F C 0.145 175.939 175.800 -0.010 0.000 1.109 493 F CA -0.855 57.136 58.000 -0.015 0.000 1.234 493 F CB 0.269 39.260 39.000 -0.015 0.000 1.545 493 F HN 0.071 nan 8.300 nan 0.000 0.534 494 K N 4.062 124.371 120.400 -0.152 0.000 2.234 494 K HA 0.684 5.004 4.320 -0.000 0.000 0.277 494 K C -1.329 175.155 176.600 -0.194 0.000 1.038 494 K CA -0.744 55.480 56.287 -0.105 0.000 0.888 494 K CB 1.892 34.354 32.500 -0.062 0.000 1.091 494 K HN 0.213 nan 8.250 nan 0.000 0.467 495 V N 1.454 121.307 119.914 -0.101 0.000 2.604 495 V HA 0.716 4.836 4.120 -0.000 0.000 0.305 495 V C -0.540 175.522 176.094 -0.053 0.000 1.043 495 V CA -0.952 61.289 62.300 -0.099 0.000 0.888 495 V CB 1.507 33.313 31.823 -0.028 0.000 0.995 495 V HN 0.983 nan 8.190 nan 0.000 0.429 496 A N 2.616 125.396 122.820 -0.066 0.000 2.386 496 A HA 1.058 5.378 4.320 -0.000 0.000 0.311 496 A C 0.001 177.556 177.584 -0.049 0.000 1.068 496 A CA 0.038 52.043 52.037 -0.054 0.000 0.743 496 A CB 1.948 20.906 19.000 -0.071 0.000 1.258 496 A HN 1.629 nan 8.150 nan 0.000 0.429 497 G N -0.259 108.518 108.800 -0.037 0.000 2.342 497 G HA2 0.616 4.576 3.960 -0.000 0.000 0.297 497 G HA3 0.616 4.576 3.960 -0.000 0.000 0.297 497 G C -0.213 174.671 174.900 -0.025 0.000 1.313 497 G CA 0.301 45.381 45.100 -0.033 0.000 0.830 497 G HN 1.679 nan 8.290 nan 0.000 0.506 498 S N -0.871 114.815 115.700 -0.023 0.000 2.590 498 S HA 0.462 4.932 4.470 -0.000 0.000 0.282 498 S C 1.446 176.041 174.600 -0.007 0.000 1.136 498 S CA 0.076 58.265 58.200 -0.018 0.000 1.030 498 S CB 1.452 64.638 63.200 -0.022 0.000 1.195 498 S HN 0.791 nan 8.310 nan 0.000 0.506 499 R N 0.045 120.542 120.500 -0.005 0.000 2.193 499 R HA -0.016 4.324 4.340 -0.000 0.000 0.213 499 R C 0.887 177.187 176.300 0.001 0.000 1.055 499 R CA 1.362 57.463 56.100 0.002 0.000 0.995 499 R CB -0.349 29.952 30.300 0.002 0.000 0.893 499 R HN 0.655 nan 8.270 nan 0.000 0.459 500 D N -0.957 119.440 120.400 -0.005 0.000 2.144 500 D HA 0.070 4.710 4.640 -0.000 0.000 0.207 500 D C 0.904 177.199 176.300 -0.008 0.000 0.970 500 D CA 1.406 55.403 54.000 -0.006 0.000 0.853 500 D CB 0.186 40.980 40.800 -0.009 0.000 1.007 500 D HN 0.366 nan 8.370 nan 0.000 0.469 501 G N -0.529 108.262 108.800 -0.015 0.000 2.911 501 G HA2 0.600 4.560 3.960 -0.000 0.000 0.299 501 G HA3 0.600 4.560 3.960 -0.000 0.000 0.299 501 G C -1.315 173.571 174.900 -0.024 0.000 1.283 501 G CA -0.653 44.434 45.100 -0.021 0.000 0.805 501 G HN 0.009 nan 8.290 nan 0.000 0.548 502 I N 1.193 121.743 120.570 -0.034 0.000 2.377 502 I HA 0.284 4.454 4.170 -0.000 0.000 0.293 502 I C 1.202 177.288 176.117 -0.051 0.000 0.987 502 I CA -0.515 60.762 61.300 -0.040 0.000 1.185 502 I CB 2.361 40.338 38.000 -0.039 0.000 1.341 502 I HN 0.590 nan 8.210 nan 0.000 0.455 503 S N 3.868 119.536 115.700 -0.054 0.000 2.502 503 S HA 0.479 4.949 4.470 -0.000 0.000 0.228 503 S C 0.558 175.117 174.600 -0.069 0.000 1.061 503 S CA 0.051 58.215 58.200 -0.061 0.000 0.935 503 S CB 0.527 63.690 63.200 -0.062 0.000 0.809 503 S HN 0.691 nan 8.310 nan 0.000 0.510 504 A N 0.662 123.436 122.820 -0.077 0.000 2.549 504 A HA 0.794 5.114 4.320 -0.000 0.000 0.297 504 A C -1.745 175.770 177.584 -0.116 0.000 1.061 504 A CA -0.663 51.319 52.037 -0.093 0.000 0.690 504 A CB 1.744 20.685 19.000 -0.098 0.000 1.287 504 A HN 0.775 nan 8.150 nan 0.000 0.402 505 L N 0.775 121.914 121.223 -0.141 0.000 2.562 505 L HA 0.622 4.962 4.340 -0.000 0.000 0.266 505 L C -0.939 175.794 176.870 -0.228 0.000 0.949 505 L CA 0.120 54.831 54.840 -0.215 0.000 0.879 505 L CB 2.009 43.938 42.059 -0.218 0.000 1.278 505 L HN 0.837 nan 8.230 nan 0.000 0.404 506 Q N 5.082 124.717 119.800 -0.274 0.000 2.330 506 Q HA 0.576 4.916 4.340 -0.000 0.000 0.269 506 Q C -1.574 174.250 176.000 -0.293 0.000 1.022 506 Q CA -0.591 55.076 55.803 -0.227 0.000 0.796 506 Q CB 1.950 30.591 28.738 -0.160 0.000 1.271 506 Q HN 0.837 nan 8.270 nan 0.000 0.450 507 M N 3.978 123.447 119.600 -0.218 0.000 2.114 507 M HA 0.357 4.837 4.480 -0.000 0.000 0.332 507 M C -1.620 174.656 176.300 -0.040 0.000 1.014 507 M CA -0.465 54.751 55.300 -0.140 0.000 0.956 507 M CB 1.034 33.599 32.600 -0.058 0.000 1.551 507 M HN 0.560 nan 8.290 nan 0.000 0.427 508 D N 6.190 126.590 120.400 0.000 0.000 2.441 508 D HA 0.381 5.021 4.640 -0.000 0.000 0.231 508 D C -0.566 175.755 176.300 0.035 0.000 1.073 508 D CA -0.125 53.880 54.000 0.009 0.000 0.850 508 D CB 1.450 42.249 40.800 -0.002 0.000 1.062 508 D HN 0.450 nan 8.370 nan 0.000 0.524 509 I N 2.438 123.022 120.570 0.024 0.000 2.336 509 I HA 0.185 4.355 4.170 -0.000 0.000 0.292 509 I C 1.432 177.557 176.117 0.013 0.000 0.991 509 I CA -0.372 60.939 61.300 0.018 0.000 1.227 509 I CB 1.665 39.666 38.000 0.001 0.000 1.366 509 I HN 0.172 nan 8.210 nan 0.000 0.466 510 K N 4.827 125.237 120.400 0.016 0.000 2.276 510 K HA 0.218 4.538 4.320 -0.000 0.000 0.198 510 K C 0.961 177.565 176.600 0.006 0.000 1.052 510 K CA 0.564 56.864 56.287 0.022 0.000 0.984 510 K CB 0.447 32.970 32.500 0.037 0.000 0.836 510 K HN 0.605 nan 8.250 nan 0.000 0.490 511 I N -1.356 119.211 120.570 -0.005 0.000 3.747 511 I HA 0.150 4.320 4.170 -0.000 0.000 0.250 511 I C 1.037 177.130 176.117 -0.040 0.000 1.364 511 I CA -0.540 60.748 61.300 -0.019 0.000 0.808 511 I CB 0.460 38.450 38.000 -0.016 0.000 1.706 511 I HN -0.211 nan 8.210 nan 0.000 0.795 512 E N 0.744 120.916 120.200 -0.048 0.000 2.207 512 E HA 0.202 4.552 4.350 -0.000 0.000 0.197 512 E C 0.816 177.380 176.600 -0.060 0.000 0.914 512 E CA 0.512 56.875 56.400 -0.063 0.000 0.914 512 E CB -0.119 29.540 29.700 -0.068 0.000 0.893 512 E HN 0.792 nan 8.360 nan 0.000 0.479 513 G N 2.361 111.128 108.800 -0.055 0.000 2.356 513 G HA2 0.486 4.446 3.960 -0.000 0.000 0.312 513 G HA3 0.486 4.446 3.960 -0.000 0.000 0.312 513 G C -0.302 174.552 174.900 -0.077 0.000 1.096 513 G CA -0.241 44.822 45.100 -0.062 0.000 0.950 513 G HN -0.069 nan 8.290 nan 0.000 0.428 514 I N 2.991 123.504 120.570 -0.096 0.000 2.439 514 I HA 0.281 4.451 4.170 -0.000 0.000 0.285 514 I C 0.766 176.797 176.117 -0.144 0.000 1.021 514 I CA -0.581 60.645 61.300 -0.123 0.000 1.091 514 I CB 1.445 39.378 38.000 -0.112 0.000 1.242 514 I HN 0.531 nan 8.210 nan 0.000 0.439 515 T N 2.364 116.818 114.554 -0.165 0.000 2.881 515 T HA 0.411 4.761 4.350 -0.000 0.000 0.278 515 T C 1.047 175.648 174.700 -0.165 0.000 0.982 515 T CA -0.640 61.366 62.100 -0.156 0.000 0.989 515 T CB 1.816 70.591 68.868 -0.154 0.000 1.058 515 T HN 0.497 nan 8.240 nan 0.000 0.529 516 K N 0.371 120.692 120.400 -0.130 0.000 2.155 516 K HA -0.066 4.254 4.320 -0.000 0.000 0.203 516 K C 2.381 178.910 176.600 -0.118 0.000 1.052 516 K CA 1.121 57.342 56.287 -0.111 0.000 0.948 516 K CB 0.032 32.488 32.500 -0.073 0.000 0.728 516 K HN 0.753 nan 8.250 nan 0.000 0.448 517 E N 1.565 121.686 120.200 -0.132 0.000 2.208 517 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 517 E C 1.914 178.391 176.600 -0.205 0.000 0.988 517 E CA 1.036 57.359 56.400 -0.128 0.000 0.828 517 E CB -0.389 29.256 29.700 -0.092 0.000 0.763 517 E HN 0.548 nan 8.360 nan 0.000 0.478 518 I N -2.879 117.487 120.570 -0.339 0.000 3.059 518 I HA 0.054 4.224 4.170 -0.000 0.000 0.270 518 I C 2.414 178.323 176.117 -0.346 0.000 1.238 518 I CA 0.359 61.363 61.300 -0.494 0.000 1.478 518 I CB -0.247 37.295 38.000 -0.763 0.000 1.097 518 I HN -0.143 nan 8.210 nan 0.000 0.455 519 M N 1.401 120.839 119.600 -0.271 0.000 2.200 519 M HA -0.124 4.356 4.480 -0.000 0.000 0.265 519 M C 2.463 178.630 176.300 -0.222 0.000 1.066 519 M CA 1.843 56.985 55.300 -0.265 0.000 1.127 519 M CB -0.225 32.294 32.600 -0.134 0.000 1.379 519 M HN 0.407 nan 8.290 nan 0.000 0.420 520 Q N -0.560 119.160 119.800 -0.133 0.000 2.245 520 Q HA -0.050 4.290 4.340 -0.000 0.000 0.201 520 Q C 1.690 177.647 176.000 -0.071 0.000 0.955 520 Q CA 1.248 57.009 55.803 -0.070 0.000 0.870 520 Q CB -0.418 28.297 28.738 -0.037 0.000 0.945 520 Q HN 0.312 nan 8.270 nan 0.000 0.461 521 V N 1.600 121.459 119.914 -0.093 0.000 2.379 521 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 521 V C 2.498 178.541 176.094 -0.085 0.000 1.044 521 V CA 1.729 64.001 62.300 -0.047 0.000 1.036 521 V CB -0.780 31.059 31.823 0.028 0.000 0.664 521 V HN 0.543 nan 8.190 nan 0.000 0.453 522 A N -0.499 122.194 122.820 -0.212 0.000 2.015 522 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 522 A C 2.102 179.559 177.584 -0.212 0.000 1.163 522 A CA 1.674 53.525 52.037 -0.310 0.000 0.646 522 A CB -0.393 18.204 19.000 -0.670 0.000 0.806 522 A HN 0.443 nan 8.150 nan 0.000 0.448 523 L N -0.163 120.976 121.223 -0.141 0.000 2.162 523 L HA 0.034 4.374 4.340 -0.000 0.000 0.205 523 L C 1.863 178.783 176.870 0.084 0.000 1.086 523 L CA 1.971 56.892 54.840 0.136 0.000 0.778 523 L CB -0.542 41.631 42.059 0.191 0.000 0.928 523 L HN 0.407 nan 8.230 nan 0.000 0.446 524 N N -0.695 118.021 118.700 0.028 0.000 2.270 524 N HA -0.209 4.530 4.740 -0.000 0.000 0.181 524 N C 1.847 177.375 175.510 0.030 0.000 1.016 524 N CA 1.186 54.252 53.050 0.028 0.000 0.870 524 N CB -0.031 38.465 38.487 0.015 0.000 0.979 524 N HN 0.526 nan 8.380 nan 0.000 0.431 525 Q N -0.760 119.053 119.800 0.021 0.000 2.230 525 Q HA 0.081 4.421 4.340 -0.000 0.000 0.202 525 Q C 1.590 177.618 176.000 0.047 0.000 0.963 525 Q CA 1.026 56.844 55.803 0.025 0.000 0.866 525 Q CB -0.063 28.681 28.738 0.010 0.000 0.931 525 Q HN 0.433 nan 8.270 nan 0.000 0.452 526 A N 0.904 123.767 122.820 0.072 0.000 2.014 526 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 526 A C 1.965 179.594 177.584 0.076 0.000 1.163 526 A CA 1.121 53.217 52.037 0.098 0.000 0.652 526 A CB -0.333 18.766 19.000 0.165 0.000 0.808 526 A HN 0.265 nan 8.150 nan 0.000 0.449 527 K N -0.344 120.094 120.400 0.064 0.000 2.025 527 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 527 K C 2.063 178.694 176.600 0.052 0.000 1.049 527 K CA 1.357 57.674 56.287 0.051 0.000 0.933 527 K CB -0.492 32.032 32.500 0.041 0.000 0.714 527 K HN 0.380 nan 8.250 nan 0.000 0.438 528 G N 0.432 109.261 108.800 0.050 0.000 2.422 528 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 528 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 528 G C 1.547 176.490 174.900 0.071 0.000 1.146 528 G CA 0.900 46.032 45.100 0.053 0.000 0.769 528 G HN 0.432 nan 8.290 nan 0.000 0.547 529 A N 0.297 123.157 122.820 0.066 0.000 1.968 529 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 529 A C 2.290 179.944 177.584 0.117 0.000 1.169 529 A CA 1.579 53.665 52.037 0.081 0.000 0.638 529 A CB -0.336 18.702 19.000 0.064 0.000 0.812 529 A HN 0.347 nan 8.150 nan 0.000 0.446 530 R N -0.520 120.035 120.500 0.092 0.000 2.115 530 R HA 0.064 4.404 4.340 -0.000 0.000 0.226 530 R C 1.754 178.104 176.300 0.085 0.000 1.100 530 R CA 0.926 57.075 56.100 0.081 0.000 0.980 530 R CB -0.300 30.032 30.300 0.052 0.000 0.875 530 R HN 0.515 nan 8.270 nan 0.000 0.445 531 L N -0.846 120.429 121.223 0.087 0.000 2.201 531 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 531 L C 2.272 179.200 176.870 0.097 0.000 1.105 531 L CA 1.308 56.193 54.840 0.076 0.000 0.775 531 L CB -0.397 41.702 42.059 0.067 0.000 0.913 531 L HN 0.322 nan 8.230 nan 0.000 0.440 532 H N 0.176 119.272 119.070 0.044 0.000 2.395 532 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 532 H C 2.138 177.506 175.328 0.067 0.000 1.070 532 H CA 1.613 57.691 56.048 0.049 0.000 1.356 532 H CB 0.137 29.928 29.762 0.048 0.000 1.401 532 H HN 0.206 nan 8.280 nan 0.000 0.524 533 I N -0.200 120.457 120.570 0.144 0.000 2.286 533 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 533 I C 2.063 178.222 176.117 0.070 0.000 1.104 533 I CA 0.842 62.225 61.300 0.137 0.000 1.397 533 I CB -0.221 37.896 38.000 0.195 0.000 1.072 533 I HN 0.221 nan 8.210 nan 0.000 0.417 534 L N 0.714 121.963 121.223 0.043 0.000 2.131 534 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 534 L C 2.646 179.516 176.870 -0.000 0.000 1.092 534 L CA 1.416 56.268 54.840 0.021 0.000 0.759 534 L CB -1.000 41.068 42.059 0.016 0.000 0.903 534 L HN 0.338 nan 8.230 nan 0.000 0.435 535 G N -0.591 108.191 108.800 -0.030 0.000 2.408 535 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 535 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 535 G C 1.534 176.397 174.900 -0.063 0.000 1.150 535 G CA 0.839 45.906 45.100 -0.055 0.000 0.776 535 G HN 0.214 nan 8.290 nan 0.000 0.542 536 V N 0.744 120.608 119.914 -0.083 0.000 2.591 536 V HA -0.058 4.062 4.120 -0.000 0.000 0.249 536 V C 2.787 178.892 176.094 0.018 0.000 1.053 536 V CA 1.545 63.816 62.300 -0.048 0.000 1.068 536 V CB -0.318 31.468 31.823 -0.061 0.000 0.689 536 V HN 0.329 nan 8.190 nan 0.000 0.462 537 M N -0.371 119.259 119.600 0.049 0.000 2.175 537 M HA -0.153 4.327 4.480 -0.000 0.000 0.264 537 M C 2.114 178.435 176.300 0.034 0.000 1.063 537 M CA 1.720 57.062 55.300 0.070 0.000 1.119 537 M CB -0.333 32.310 32.600 0.072 0.000 1.377 537 M HN 0.347 nan 8.290 nan 0.000 0.415 538 E N -0.313 119.896 120.200 0.014 0.000 2.358 538 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 538 E C 1.902 178.504 176.600 0.003 0.000 1.010 538 E CA 0.545 56.949 56.400 0.006 0.000 0.856 538 E CB -0.050 29.649 29.700 -0.001 0.000 0.795 538 E HN 0.536 nan 8.360 nan 0.000 0.504 539 Q N 0.428 120.229 119.800 0.001 0.000 2.172 539 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 539 Q C 1.942 177.945 176.000 0.004 0.000 0.964 539 Q CA 1.219 57.020 55.803 -0.002 0.000 0.855 539 Q CB 0.065 28.797 28.738 -0.010 0.000 0.918 539 Q HN 0.236 nan 8.270 nan 0.000 0.444 540 A N 0.812 123.640 122.820 0.013 0.000 1.850 540 A HA 0.160 4.480 4.320 -0.000 0.000 0.212 540 A C 1.054 178.646 177.584 0.014 0.000 1.208 540 A CA 0.903 52.950 52.037 0.017 0.000 0.609 540 A CB -0.011 19.006 19.000 0.030 0.000 0.860 540 A HN 0.486 nan 8.150 nan 0.000 0.448 541 I N -3.437 117.143 120.570 0.017 0.000 2.647 541 I HA 0.467 4.637 4.170 -0.000 0.000 0.295 541 I C -0.122 175.998 176.117 0.006 0.000 1.078 541 I CA -0.941 60.365 61.300 0.010 0.000 1.048 541 I CB 2.164 40.171 38.000 0.013 0.000 1.239 541 I HN 0.249 nan 8.210 nan 0.000 0.421 542 N N 3.808 122.508 118.700 -0.000 0.000 2.503 542 N HA 0.323 5.063 4.740 -0.000 0.000 0.210 542 N C 0.129 175.633 175.510 -0.011 0.000 1.077 542 N CA 0.204 53.252 53.050 -0.005 0.000 0.855 542 N CB 1.073 39.557 38.487 -0.004 0.000 1.323 542 N HN 0.759 nan 8.380 nan 0.000 0.452 543 A N 1.468 124.280 122.820 -0.012 0.000 2.449 543 A HA 0.687 5.007 4.320 -0.000 0.000 0.302 543 A C -2.523 175.047 177.584 -0.024 0.000 1.048 543 A CA -1.059 50.966 52.037 -0.020 0.000 0.708 543 A CB 1.393 20.382 19.000 -0.018 0.000 1.274 543 A HN 0.112 nan 8.150 nan 0.000 0.410 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.074 63.100 -0.043 0.000 0.800 544 P CB 0.000 31.653 31.700 -0.079 0.000 0.726