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 1wf4_1_g DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKPE 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.546 177.584 -0.063 0.000 1.274 3 A CA 0.000 52.013 52.037 -0.041 0.000 0.836 3 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 4 K N 0.247 120.617 120.400 -0.050 0.000 2.106 4 K HA 0.703 5.023 4.320 0.000 0.000 0.246 4 K C -0.840 175.733 176.600 -0.044 0.000 0.987 4 K CA -0.315 55.936 56.287 -0.060 0.000 0.904 4 K CB 2.048 34.520 32.500 -0.047 0.000 1.071 4 K HN 0.581 nan 8.250 nan 0.000 0.453 5 I N 1.099 121.639 120.570 -0.050 0.000 2.569 5 I HA 0.301 4.471 4.170 0.000 0.000 0.290 5 I C -1.561 174.540 176.117 -0.025 0.000 1.088 5 I CA -0.889 60.398 61.300 -0.023 0.000 1.047 5 I CB 1.157 39.142 38.000 -0.026 0.000 1.237 5 I HN 0.380 nan 8.210 nan 0.000 0.421 6 L N 8.124 129.356 121.223 0.015 0.000 2.277 6 L HA 0.498 4.838 4.340 0.000 0.000 0.284 6 L C -0.679 176.212 176.870 0.035 0.000 1.028 6 L CA -0.800 54.025 54.840 -0.026 0.000 0.835 6 L CB 1.419 43.513 42.059 0.058 0.000 1.215 6 L HN 0.347 nan 8.230 nan 0.000 0.425 7 V N 3.646 123.507 119.914 -0.088 0.000 2.427 7 V HA 0.461 4.581 4.120 0.000 0.000 0.286 7 V C -0.063 175.981 176.094 -0.083 0.000 1.034 7 V CA -0.274 62.042 62.300 0.027 0.000 0.893 7 V CB 1.422 33.249 31.823 0.007 0.000 0.982 7 V HN 0.372 nan 8.190 nan 0.000 0.452 8 F N 0.711 120.663 119.950 0.003 0.000 2.629 8 F HA 0.510 5.037 4.527 0.000 0.000 0.386 8 F C 1.124 176.926 175.800 0.004 0.000 1.135 8 F CA -0.684 57.318 58.000 0.003 0.000 1.116 8 F CB 0.144 39.145 39.000 0.002 0.000 1.426 8 F HN 0.530 nan 8.300 nan 0.000 0.501 9 D N 0.373 120.923 120.400 0.251 0.000 3.470 9 D HA -0.263 4.377 4.640 0.000 0.000 0.175 9 D C 1.554 177.903 176.300 0.082 0.000 1.216 9 D CA 1.597 55.675 54.000 0.130 0.000 0.889 9 D CB -0.033 40.831 40.800 0.106 0.000 0.506 9 D HN 0.568 nan 8.370 nan 0.000 0.500 10 E N -0.179 120.057 120.200 0.061 0.000 2.147 10 E HA -0.220 4.130 4.350 0.000 0.000 0.199 10 E C 1.945 178.570 176.600 0.042 0.000 1.005 10 E CA 1.506 57.931 56.400 0.042 0.000 0.810 10 E CB -0.520 29.200 29.700 0.033 0.000 0.736 10 E HN 0.469 nan 8.360 nan 0.000 0.460 11 A N 1.567 124.420 122.820 0.055 0.000 1.892 11 A HA -0.200 4.120 4.320 0.000 0.000 0.218 11 A C 2.465 180.074 177.584 0.041 0.000 1.188 11 A CA 2.601 54.669 52.037 0.051 0.000 0.631 11 A CB -0.734 18.308 19.000 0.070 0.000 0.822 11 A HN 0.313 nan 8.150 nan 0.000 0.447 12 A N -0.316 122.530 122.820 0.044 0.000 1.858 12 A HA -0.157 4.163 4.320 0.000 0.000 0.216 12 A C 2.236 179.828 177.584 0.013 0.000 1.190 12 A CA 1.544 53.592 52.037 0.018 0.000 0.617 12 A CB -0.545 18.453 19.000 -0.004 0.000 0.827 12 A HN 0.565 nan 8.150 nan 0.000 0.443 13 R N -1.006 119.505 120.500 0.018 0.000 2.091 13 R HA -0.132 4.208 4.340 0.000 0.000 0.238 13 R C 2.356 178.664 176.300 0.013 0.000 1.136 13 R CA 1.407 57.515 56.100 0.013 0.000 0.959 13 R CB -0.381 29.929 30.300 0.017 0.000 0.856 13 R HN 0.298 nan 8.270 nan 0.000 0.437 14 R N 0.734 121.245 120.500 0.017 0.000 2.083 14 R HA -0.062 4.278 4.340 0.000 0.000 0.237 14 R C 2.279 178.587 176.300 0.013 0.000 1.137 14 R CA 1.690 57.799 56.100 0.015 0.000 0.951 14 R CB -1.151 29.159 30.300 0.017 0.000 0.851 14 R HN 0.293 nan 8.270 nan 0.000 0.434 15 A N 1.370 124.199 122.820 0.015 0.000 1.865 15 A HA -0.152 4.168 4.320 0.000 0.000 0.217 15 A C 2.471 180.061 177.584 0.010 0.000 1.191 15 A CA 1.466 53.512 52.037 0.014 0.000 0.623 15 A CB -0.777 18.234 19.000 0.018 0.000 0.826 15 A HN 0.215 nan 8.150 nan 0.000 0.444 16 L N -0.930 120.298 121.223 0.008 0.000 1.990 16 L HA -0.272 4.068 4.340 0.000 0.000 0.213 16 L C 2.748 179.621 176.870 0.005 0.000 1.072 16 L CA 2.142 56.985 54.840 0.005 0.000 0.755 16 L CB -0.673 41.387 42.059 0.002 0.000 0.889 16 L HN 0.659 nan 8.230 nan 0.000 0.432 17 E N 0.281 120.485 120.200 0.006 0.000 2.130 17 E HA -0.277 4.073 4.350 0.000 0.000 0.196 17 E C 2.323 178.926 176.600 0.004 0.000 0.998 17 E CA 1.337 57.740 56.400 0.005 0.000 0.806 17 E CB 0.042 29.747 29.700 0.007 0.000 0.738 17 E HN 0.320 nan 8.360 nan 0.000 0.459 18 R N -0.500 120.003 120.500 0.005 0.000 2.083 18 R HA -0.130 4.210 4.340 0.000 0.000 0.237 18 R C 2.523 178.823 176.300 0.001 0.000 1.137 18 R CA 1.346 57.448 56.100 0.003 0.000 0.951 18 R CB -0.571 29.732 30.300 0.004 0.000 0.851 18 R HN 0.319 nan 8.270 nan 0.000 0.434 19 G N 0.185 108.985 108.800 0.000 0.000 2.421 19 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 19 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 19 G C 1.464 176.363 174.900 -0.002 0.000 1.171 19 G CA 0.862 45.961 45.100 -0.003 0.000 0.775 19 G HN 0.143 nan 8.290 nan 0.000 0.543 20 V N 1.823 121.737 119.914 0.000 0.000 2.252 20 V HA -0.266 3.854 4.120 0.000 0.000 0.249 20 V C 2.672 178.767 176.094 0.001 0.000 1.056 20 V CA 2.060 64.361 62.300 0.001 0.000 1.022 20 V CB -0.519 31.305 31.823 0.002 0.000 0.641 20 V HN 0.373 nan 8.190 nan 0.000 0.445 21 N N 0.243 118.944 118.700 0.001 0.000 2.166 21 N HA -0.120 4.620 4.740 0.000 0.000 0.186 21 N C 1.945 177.454 175.510 -0.001 0.000 1.019 21 N CA 1.551 54.602 53.050 0.001 0.000 0.856 21 N CB -0.412 38.076 38.487 0.002 0.000 0.993 21 N HN 0.512 nan 8.380 nan 0.000 0.426 22 A N 1.232 124.051 122.820 -0.002 0.000 1.873 22 A HA -0.153 4.167 4.320 0.000 0.000 0.218 22 A C 2.584 180.165 177.584 -0.005 0.000 1.193 22 A CA 1.843 53.877 52.037 -0.005 0.000 0.629 22 A CB -0.965 18.031 19.000 -0.007 0.000 0.826 22 A HN 0.108 nan 8.150 nan 0.000 0.447 23 V N -0.326 119.585 119.914 -0.005 0.000 2.270 23 V HA -0.202 3.918 4.120 0.000 0.000 0.245 23 V C 3.092 179.185 176.094 -0.002 0.000 1.043 23 V CA 1.959 64.256 62.300 -0.004 0.000 1.014 23 V CB -1.429 30.392 31.823 -0.004 0.000 0.645 23 V HN 0.656 nan 8.190 nan 0.000 0.447 24 A N 0.802 123.622 122.820 -0.000 0.000 1.927 24 A HA -0.293 4.027 4.320 0.000 0.000 0.220 24 A C 1.981 179.566 177.584 0.001 0.000 1.185 24 A CA 2.399 54.437 52.037 0.001 0.000 0.639 24 A CB -0.767 18.234 19.000 0.002 0.000 0.820 24 A HN 0.640 nan 8.150 nan 0.000 0.451 25 N N -0.045 118.655 118.700 0.001 0.000 2.396 25 N HA 0.019 4.759 4.740 0.000 0.000 0.180 25 N C 1.676 177.186 175.510 -0.000 0.000 1.028 25 N CA 1.213 54.264 53.050 0.001 0.000 0.893 25 N CB -0.405 38.083 38.487 0.001 0.000 0.967 25 N HN 0.525 nan 8.380 nan 0.000 0.440 26 A N 0.429 123.248 122.820 -0.002 0.000 1.970 26 A HA 0.044 4.364 4.320 0.000 0.000 0.216 26 A C 2.402 179.984 177.584 -0.003 0.000 1.170 26 A CA 0.654 52.688 52.037 -0.004 0.000 0.645 26 A CB -0.324 18.672 19.000 -0.006 0.000 0.816 26 A HN 0.060 nan 8.150 nan 0.000 0.447 27 V N 1.427 121.340 119.914 -0.002 0.000 2.239 27 V HA -0.260 3.860 4.120 0.000 0.000 0.242 27 V C 2.454 178.549 176.094 0.002 0.000 1.038 27 V CA 2.204 64.504 62.300 -0.001 0.000 1.002 27 V CB -0.830 30.993 31.823 0.001 0.000 0.641 27 V HN 0.826 nan 8.190 nan 0.000 0.449 28 K N 0.712 121.114 120.400 0.003 0.000 2.366 28 K HA -0.174 4.146 4.320 0.000 0.000 0.202 28 K C 1.674 178.278 176.600 0.007 0.000 1.045 28 K CA 1.710 58.000 56.287 0.006 0.000 0.934 28 K CB -0.844 31.661 32.500 0.007 0.000 0.746 28 K HN 0.344 nan 8.250 nan 0.000 0.470 29 V N 2.179 122.096 119.914 0.005 0.000 2.867 29 V HA -0.219 3.901 4.120 0.000 0.000 0.260 29 V C 2.525 178.622 176.094 0.006 0.000 1.099 29 V CA 2.093 64.396 62.300 0.006 0.000 1.122 29 V CB -0.804 31.020 31.823 0.002 0.000 0.708 29 V HN 0.776 nan 8.190 nan 0.000 0.490 30 T N -2.797 111.760 114.554 0.004 0.000 3.039 30 T HA 0.127 4.477 4.350 0.000 0.000 0.250 30 T C 0.795 175.497 174.700 0.003 0.000 1.052 30 T CA -0.217 61.885 62.100 0.003 0.000 1.125 30 T CB -0.183 68.686 68.868 0.002 0.000 0.908 30 T HN 0.186 nan 8.240 nan 0.000 0.473 31 L N 3.037 124.262 121.223 0.004 0.000 2.667 31 L HA 0.360 4.700 4.340 0.000 0.000 0.296 31 L C 0.966 177.836 176.870 -0.000 0.000 1.252 31 L CA 1.810 56.652 54.840 0.002 0.000 0.891 31 L CB -1.004 41.058 42.059 0.005 0.000 1.141 31 L HN 0.896 nan 8.230 nan 0.000 0.501 32 G N 3.908 112.702 108.800 -0.010 0.000 2.796 32 G HA2 -0.176 3.784 3.960 0.000 0.000 0.571 32 G HA3 -0.176 3.784 3.960 0.000 0.000 0.571 32 G C -1.909 172.976 174.900 -0.025 0.000 1.370 32 G CA -0.249 44.839 45.100 -0.021 0.000 0.856 32 G HN 0.661 nan 8.290 nan 0.000 0.538 33 P HA -0.035 nan 4.420 nan 0.000 0.219 33 P C 1.343 178.628 177.300 -0.025 0.000 1.150 33 P CA 1.012 64.085 63.100 -0.045 0.000 0.814 33 P CB 0.122 31.777 31.700 -0.075 0.000 0.787 34 R N -0.005 120.491 120.500 -0.008 0.000 2.317 34 R HA 0.223 4.563 4.340 0.000 0.000 0.208 34 R C 1.379 177.688 176.300 0.015 0.000 0.914 34 R CA -0.029 56.080 56.100 0.014 0.000 1.060 34 R CB -0.950 29.380 30.300 0.049 0.000 1.015 34 R HN 0.154 nan 8.270 nan 0.000 0.498 35 G N 1.281 110.085 108.800 0.007 0.000 2.562 35 G HA2 0.069 4.029 3.960 0.000 0.000 0.233 35 G HA3 0.069 4.029 3.960 0.000 0.000 0.233 35 G C -0.094 174.809 174.900 0.004 0.000 1.266 35 G CA -0.210 44.895 45.100 0.007 0.000 0.852 35 G HN 0.166 nan 8.290 nan 0.000 0.581 36 R N 0.124 120.627 120.500 0.004 0.000 2.893 36 R HA 0.378 4.718 4.340 0.000 0.000 0.245 36 R C -0.151 176.148 176.300 -0.001 0.000 1.192 36 R CA -0.909 55.192 56.100 0.002 0.000 1.077 36 R CB 0.844 31.145 30.300 0.003 0.000 1.253 36 R HN 0.517 nan 8.270 nan 0.000 0.505 37 N N -0.380 118.318 118.700 -0.003 0.000 2.492 37 N HA 0.327 5.067 4.740 0.000 0.000 0.289 37 N C -0.963 174.542 175.510 -0.008 0.000 1.133 37 N CA -0.455 52.592 53.050 -0.006 0.000 0.961 37 N CB 1.659 40.142 38.487 -0.007 0.000 1.186 37 N HN 0.084 nan 8.380 nan 0.000 0.493 38 V N 0.974 120.882 119.914 -0.012 0.000 2.612 38 V HA 0.367 4.487 4.120 0.000 0.000 0.301 38 V C 0.042 176.127 176.094 -0.016 0.000 1.046 38 V CA -0.788 61.504 62.300 -0.013 0.000 0.946 38 V CB 2.035 33.849 31.823 -0.014 0.000 1.003 38 V HN 0.307 nan 8.190 nan 0.000 0.459 39 V N 5.728 125.633 119.914 -0.014 0.000 2.313 39 V HA 0.397 4.517 4.120 0.000 0.000 0.278 39 V C -0.225 175.859 176.094 -0.016 0.000 1.017 39 V CA -0.361 61.930 62.300 -0.014 0.000 0.823 39 V CB 1.225 33.041 31.823 -0.011 0.000 1.010 39 V HN 0.586 nan 8.190 nan 0.000 0.443 40 L N 4.473 125.686 121.223 -0.018 0.000 2.257 40 L HA 0.492 4.832 4.340 0.000 0.000 0.290 40 L C 0.598 177.460 176.870 -0.014 0.000 1.044 40 L CA -0.246 54.583 54.840 -0.017 0.000 0.810 40 L CB 1.154 43.200 42.059 -0.021 0.000 1.193 40 L HN 0.649 nan 8.230 nan 0.000 0.425 41 E N 4.142 124.332 120.200 -0.016 0.000 2.376 41 E HA 0.086 4.436 4.350 0.000 0.000 0.266 41 E C -0.786 175.807 176.600 -0.013 0.000 1.009 41 E CA -0.374 56.016 56.400 -0.017 0.000 0.902 41 E CB 0.717 30.402 29.700 -0.026 0.000 0.972 41 E HN 0.292 nan 8.360 nan 0.000 0.439 42 K N 3.592 123.989 120.400 -0.005 0.000 2.156 42 K HA 0.190 4.510 4.320 0.000 0.000 0.254 42 K C 0.638 177.238 176.600 -0.001 0.000 0.950 42 K CA -0.576 55.721 56.287 0.016 0.000 0.849 42 K CB 1.408 33.933 32.500 0.042 0.000 1.100 42 K HN 0.468 nan 8.250 nan 0.000 0.434 43 K N 0.857 121.265 120.400 0.014 0.000 2.127 43 K HA -0.164 4.156 4.320 0.000 0.000 0.208 43 K C 0.976 177.369 176.600 -0.344 0.000 1.047 43 K CA 1.886 58.102 56.287 -0.118 0.000 0.927 43 K CB -0.067 32.450 32.500 0.030 0.000 0.716 43 K HN 0.356 nan 8.250 nan 0.000 0.450 44 F N -0.914 119.032 119.950 -0.006 0.000 2.347 44 F HA 0.212 4.739 4.527 0.000 0.000 0.266 44 F C 1.787 177.583 175.800 -0.005 0.000 0.884 44 F CA -0.070 57.927 58.000 -0.005 0.000 1.123 44 F CB -0.728 38.269 39.000 -0.005 0.000 1.098 44 F HN -0.039 nan 8.300 nan 0.000 0.803 45 G N 0.345 109.269 108.800 0.208 0.000 2.468 45 G HA2 0.303 4.263 3.960 0.000 0.000 0.264 45 G HA3 0.303 4.263 3.960 0.000 0.000 0.264 45 G C 0.187 175.124 174.900 0.060 0.000 1.460 45 G CA 0.202 45.367 45.100 0.108 0.000 1.060 45 G HN 0.332 nan 8.290 nan 0.000 0.543 46 S N 0.607 116.332 115.700 0.041 0.000 2.608 46 S HA 0.464 4.934 4.470 0.000 0.000 0.261 46 S C -1.705 172.907 174.600 0.019 0.000 1.314 46 S CA -0.650 57.564 58.200 0.023 0.000 0.992 46 S CB 1.412 64.623 63.200 0.018 0.000 0.935 46 S HN 0.569 nan 8.310 nan 0.000 0.564 47 P HA 0.296 nan 4.420 nan 0.000 0.289 47 P C -0.740 176.560 177.300 0.001 0.000 1.299 47 P CA -0.435 62.667 63.100 0.003 0.000 0.766 47 P CB 0.226 31.923 31.700 -0.004 0.000 1.226 48 T N 0.743 115.293 114.554 -0.007 0.000 2.771 48 T HA 0.486 4.836 4.350 0.000 0.000 0.281 48 T C 0.155 174.842 174.700 -0.021 0.000 0.982 48 T CA -0.245 61.846 62.100 -0.016 0.000 0.978 48 T CB -0.091 68.760 68.868 -0.027 0.000 0.930 48 T HN 0.185 nan 8.240 nan 0.000 0.447 49 I N 4.217 124.775 120.570 -0.020 0.000 2.388 49 I HA 0.279 4.449 4.170 0.000 0.000 0.281 49 I C 0.464 176.565 176.117 -0.027 0.000 1.046 49 I CA -0.417 60.872 61.300 -0.018 0.000 1.187 49 I CB 0.858 38.852 38.000 -0.009 0.000 1.351 49 I HN 0.582 nan 8.210 nan 0.000 0.472 50 T N 3.801 118.332 114.554 -0.038 0.000 2.870 50 T HA 0.386 4.736 4.350 0.000 0.000 0.277 50 T C 0.546 175.230 174.700 -0.027 0.000 1.000 50 T CA -0.745 61.325 62.100 -0.050 0.000 0.982 50 T CB 2.367 71.179 68.868 -0.094 0.000 1.249 50 T HN 0.538 nan 8.240 nan 0.000 0.589 51 K N 0.051 120.440 120.400 -0.019 0.000 2.586 51 K HA 0.116 4.436 4.320 0.000 0.000 0.198 51 K C -0.724 175.881 176.600 0.009 0.000 1.170 51 K CA -0.111 56.175 56.287 -0.001 0.000 1.069 51 K CB 0.679 33.183 32.500 0.007 0.000 0.944 51 K HN 0.584 nan 8.250 nan 0.000 0.572 52 D N 0.045 120.442 120.400 -0.005 0.000 2.280 52 D HA 0.122 4.762 4.640 0.000 0.000 0.243 52 D C 0.869 177.171 176.300 0.004 0.000 1.129 52 D CA 0.097 54.108 54.000 0.018 0.000 0.848 52 D CB 1.682 42.480 40.800 -0.003 0.000 1.107 52 D HN 0.334 nan 8.370 nan 0.000 0.471 53 G N 3.211 112.022 108.800 0.019 0.000 2.806 53 G HA2 -0.296 3.664 3.960 0.000 0.000 0.214 53 G HA3 -0.296 3.664 3.960 0.000 0.000 0.214 53 G C 1.702 176.606 174.900 0.006 0.000 1.331 53 G CA 2.202 47.309 45.100 0.011 0.000 0.807 53 G HN 0.545 nan 8.290 nan 0.000 0.644 54 V N -0.589 119.335 119.914 0.015 0.000 2.363 54 V HA -0.267 3.853 4.120 0.000 0.000 0.254 54 V C 2.748 178.842 176.094 -0.001 0.000 1.074 54 V CA 2.951 65.258 62.300 0.012 0.000 1.069 54 V CB -1.826 30.012 31.823 0.025 0.000 0.659 54 V HN 0.405 nan 8.190 nan 0.000 0.455 55 T N 0.540 115.084 114.554 -0.016 0.000 2.652 55 T HA -0.164 4.186 4.350 0.000 0.000 0.267 55 T C 1.966 176.647 174.700 -0.032 0.000 1.039 55 T CA 2.004 64.079 62.100 -0.042 0.000 1.153 55 T CB -0.468 68.339 68.868 -0.102 0.000 0.863 55 T HN 0.390 nan 8.240 nan 0.000 0.428 56 V N 1.790 121.687 119.914 -0.027 0.000 2.237 56 V HA -0.162 3.958 4.120 0.000 0.000 0.245 56 V C 2.953 179.039 176.094 -0.013 0.000 1.046 56 V CA 1.712 64.000 62.300 -0.020 0.000 1.007 56 V CB -1.409 30.404 31.823 -0.016 0.000 0.638 56 V HN 0.549 nan 8.190 nan 0.000 0.445 57 A N -0.168 122.647 122.820 -0.008 0.000 1.915 57 A HA -0.352 3.968 4.320 0.000 0.000 0.220 57 A C 2.242 179.823 177.584 -0.005 0.000 1.198 57 A CA 2.580 54.615 52.037 -0.005 0.000 0.647 57 A CB -0.633 18.367 19.000 -0.000 0.000 0.825 57 A HN 0.586 nan 8.150 nan 0.000 0.456 58 K N -0.838 119.560 120.400 -0.005 0.000 2.209 58 K HA -0.106 4.214 4.320 0.000 0.000 0.204 58 K C 1.628 178.224 176.600 -0.006 0.000 1.048 58 K CA 1.156 57.441 56.287 -0.003 0.000 0.940 58 K CB -0.054 32.446 32.500 -0.000 0.000 0.729 58 K HN 0.440 nan 8.250 nan 0.000 0.451 59 E N 0.551 120.746 120.200 -0.009 0.000 2.371 59 E HA -0.023 4.327 4.350 0.000 0.000 0.194 59 E C 0.178 176.770 176.600 -0.013 0.000 1.012 59 E CA 0.275 56.669 56.400 -0.011 0.000 0.860 59 E CB 0.168 29.860 29.700 -0.014 0.000 0.811 59 E HN -0.026 nan 8.360 nan 0.000 0.502 60 V N 2.309 122.216 119.914 -0.012 0.000 2.479 60 V HA 0.041 4.161 4.120 0.000 0.000 0.281 60 V C 0.089 176.173 176.094 -0.017 0.000 1.031 60 V CA 0.186 62.477 62.300 -0.015 0.000 1.038 60 V CB 0.776 32.592 31.823 -0.013 0.000 0.981 60 V HN 0.018 nan 8.190 nan 0.000 0.478 61 E N 4.679 124.865 120.200 -0.023 0.000 2.283 61 E HA 0.495 4.845 4.350 0.000 0.000 0.258 61 E C -1.124 175.452 176.600 -0.040 0.000 0.893 61 E CA -0.383 55.999 56.400 -0.030 0.000 0.798 61 E CB 1.164 30.846 29.700 -0.029 0.000 1.242 61 E HN 0.594 nan 8.360 nan 0.000 0.414 62 L N 3.614 124.809 121.223 -0.046 0.000 2.375 62 L HA 0.383 4.723 4.340 0.000 0.000 0.271 62 L C 1.564 178.380 176.870 -0.089 0.000 1.107 62 L CA -0.280 54.527 54.840 -0.054 0.000 0.806 62 L CB 1.284 43.317 42.059 -0.043 0.000 1.146 62 L HN 0.726 nan 8.230 nan 0.000 0.447 63 E N 1.010 121.159 120.200 -0.085 0.000 2.152 63 E HA -0.167 4.183 4.350 0.000 0.000 0.192 63 E C 0.154 176.654 176.600 -0.167 0.000 0.983 63 E CA 0.485 56.815 56.400 -0.116 0.000 0.818 63 E CB 0.336 29.993 29.700 -0.072 0.000 0.758 63 E HN 0.695 nan 8.360 nan 0.000 0.467 64 D N -0.384 119.951 120.400 -0.108 0.000 2.317 64 D HA -0.021 4.619 4.640 0.000 0.000 0.252 64 D C 0.957 177.203 176.300 -0.089 0.000 1.174 64 D CA 0.021 53.975 54.000 -0.077 0.000 0.866 64 D CB 0.591 41.382 40.800 -0.015 0.000 1.127 64 D HN 0.118 nan 8.370 nan 0.000 0.467 65 H N 3.540 122.607 119.070 -0.004 0.000 2.255 65 H HA -0.200 4.356 4.556 0.000 0.000 0.290 65 H C 1.832 177.155 175.328 -0.009 0.000 1.087 65 H CA 1.640 57.684 56.048 -0.007 0.000 1.213 65 H CB -0.146 29.611 29.762 -0.007 0.000 1.349 65 H HN 0.493 nan 8.280 nan 0.000 0.487 66 L N 0.512 121.808 121.223 0.122 0.000 2.012 66 L HA -0.194 4.146 4.340 0.000 0.000 0.210 66 L C 2.541 179.428 176.870 0.029 0.000 1.073 66 L CA 1.390 56.264 54.840 0.057 0.000 0.748 66 L CB -0.552 41.531 42.059 0.039 0.000 0.891 66 L HN 0.317 nan 8.230 nan 0.000 0.431 67 E N -0.045 120.166 120.200 0.018 0.000 2.153 67 E HA -0.230 4.120 4.350 0.000 0.000 0.194 67 E C 1.856 178.453 176.600 -0.005 0.000 0.988 67 E CA 1.161 57.563 56.400 0.003 0.000 0.811 67 E CB -0.054 29.644 29.700 -0.004 0.000 0.746 67 E HN 0.399 nan 8.360 nan 0.000 0.466 68 N N 0.858 119.551 118.700 -0.012 0.000 2.171 68 N HA -0.095 4.645 4.740 0.000 0.000 0.184 68 N C 1.653 177.162 175.510 -0.002 0.000 1.021 68 N CA 0.815 53.853 53.050 -0.020 0.000 0.854 68 N CB -0.014 38.444 38.487 -0.049 0.000 0.994 68 N HN 0.071 nan 8.380 nan 0.000 0.426 69 I N -0.087 120.490 120.570 0.013 0.000 2.194 69 I HA -0.234 3.936 4.170 0.000 0.000 0.246 69 I C 2.266 178.387 176.117 0.006 0.000 1.093 69 I CA 1.451 62.760 61.300 0.014 0.000 1.355 69 I CB -0.762 37.249 38.000 0.018 0.000 1.046 69 I HN 0.302 nan 8.210 nan 0.000 0.413 70 G N 0.327 109.129 108.800 0.004 0.000 2.402 70 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 70 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 70 G C 1.880 176.780 174.900 0.000 0.000 1.162 70 G CA 0.762 45.863 45.100 0.002 0.000 0.777 70 G HN 0.497 nan 8.290 nan 0.000 0.539 71 A N 0.129 122.947 122.820 -0.002 0.000 1.940 71 A HA -0.119 4.201 4.320 0.000 0.000 0.219 71 A C 2.425 180.007 177.584 -0.002 0.000 1.176 71 A CA 2.037 54.071 52.037 -0.004 0.000 0.631 71 A CB -0.341 18.653 19.000 -0.010 0.000 0.814 71 A HN 0.350 nan 8.150 nan 0.000 0.446 72 Q N -0.158 119.641 119.800 -0.001 0.000 1.990 72 Q HA -0.100 4.240 4.340 0.000 0.000 0.200 72 Q C 2.266 178.267 176.000 0.002 0.000 0.980 72 Q CA 1.411 57.214 55.803 0.001 0.000 0.832 72 Q CB -0.758 27.982 28.738 0.003 0.000 0.897 72 Q HN 0.709 nan 8.270 nan 0.000 0.427 73 L N 0.453 121.677 121.223 0.002 0.000 2.064 73 L HA -0.254 4.086 4.340 0.000 0.000 0.216 73 L C 2.479 179.350 176.870 0.003 0.000 1.077 73 L CA 0.980 55.822 54.840 0.002 0.000 0.766 73 L CB -0.610 41.450 42.059 0.001 0.000 0.890 73 L HN 0.182 nan 8.230 nan 0.000 0.435 74 L N -0.390 120.834 121.223 0.002 0.000 2.109 74 L HA -0.165 4.175 4.340 0.000 0.000 0.207 74 L C 2.523 179.395 176.870 0.003 0.000 1.086 74 L CA 1.671 56.513 54.840 0.003 0.000 0.760 74 L CB -0.410 41.650 42.059 0.002 0.000 0.910 74 L HN 0.065 nan 8.230 nan 0.000 0.437 75 K N -0.482 119.920 120.400 0.003 0.000 2.063 75 K HA -0.273 4.047 4.320 0.000 0.000 0.208 75 K C 2.047 178.650 176.600 0.006 0.000 1.048 75 K CA 1.858 58.147 56.287 0.003 0.000 0.928 75 K CB -0.172 32.329 32.500 0.002 0.000 0.713 75 K HN 0.468 nan 8.250 nan 0.000 0.442 76 E N 0.708 120.912 120.200 0.005 0.000 2.058 76 E HA -0.203 4.147 4.350 0.000 0.000 0.194 76 E C 1.905 178.509 176.600 0.007 0.000 0.997 76 E CA 1.407 57.811 56.400 0.006 0.000 0.801 76 E CB 0.083 29.786 29.700 0.005 0.000 0.746 76 E HN 0.020 nan 8.360 nan 0.000 0.450 77 V N 1.210 121.128 119.914 0.006 0.000 2.324 77 V HA -0.336 3.784 4.120 0.000 0.000 0.250 77 V C 2.419 178.517 176.094 0.008 0.000 1.060 77 V CA 1.973 64.277 62.300 0.006 0.000 1.042 77 V CB -0.910 30.916 31.823 0.006 0.000 0.650 77 V HN 0.486 nan 8.190 nan 0.000 0.450 78 A N 0.625 123.450 122.820 0.008 0.000 1.845 78 A HA -0.226 4.094 4.320 0.000 0.000 0.215 78 A C 2.590 180.182 177.584 0.013 0.000 1.195 78 A CA 2.614 54.657 52.037 0.010 0.000 0.616 78 A CB -0.950 18.056 19.000 0.009 0.000 0.832 78 A HN 0.684 nan 8.150 nan 0.000 0.443 79 S N 0.036 115.744 115.700 0.013 0.000 2.348 79 S HA -0.219 4.251 4.470 0.000 0.000 0.221 79 S C 1.922 176.531 174.600 0.015 0.000 1.033 79 S CA 1.817 60.027 58.200 0.016 0.000 1.010 79 S CB -0.462 62.747 63.200 0.015 0.000 0.891 79 S HN 0.412 nan 8.310 nan 0.000 0.442 80 K N 1.439 121.847 120.400 0.012 0.000 2.218 80 K HA -0.046 4.274 4.320 0.000 0.000 0.205 80 K C 1.911 178.517 176.600 0.011 0.000 1.046 80 K CA 1.997 58.290 56.287 0.011 0.000 0.933 80 K CB -1.148 31.358 32.500 0.009 0.000 0.728 80 K HN 0.529 nan 8.250 nan 0.000 0.454 81 T N -0.196 114.365 114.554 0.011 0.000 2.978 81 T HA -0.037 4.313 4.350 0.000 0.000 0.262 81 T C 1.465 176.173 174.700 0.013 0.000 1.063 81 T CA 1.207 63.313 62.100 0.011 0.000 1.140 81 T CB -0.319 68.555 68.868 0.010 0.000 0.886 81 T HN 0.380 nan 8.240 nan 0.000 0.470 82 N N 1.322 120.033 118.700 0.018 0.000 2.216 82 N HA -0.097 4.643 4.740 0.000 0.000 0.183 82 N C 1.353 176.875 175.510 0.019 0.000 1.017 82 N CA 1.132 54.196 53.050 0.023 0.000 0.861 82 N CB -0.119 38.388 38.487 0.033 0.000 0.986 82 N HN 0.169 nan 8.380 nan 0.000 0.428 83 D N -0.583 119.827 120.400 0.017 0.000 2.097 83 D HA -0.064 4.576 4.640 0.000 0.000 0.197 83 D C 1.802 178.108 176.300 0.011 0.000 0.984 83 D CA 0.853 54.862 54.000 0.015 0.000 0.826 83 D CB -0.325 40.484 40.800 0.014 0.000 0.973 83 D HN 0.093 nan 8.370 nan 0.000 0.460 84 V N 0.091 120.011 119.914 0.009 0.000 3.041 84 V HA 0.058 4.178 4.120 0.000 0.000 0.260 84 V C 1.730 177.827 176.094 0.005 0.000 1.105 84 V CA 1.523 63.827 62.300 0.007 0.000 1.125 84 V CB 0.055 31.882 31.823 0.006 0.000 0.730 84 V HN 0.258 nan 8.190 nan 0.000 0.479 85 A N -1.990 120.833 122.820 0.005 0.000 2.533 85 A HA 0.509 4.829 4.320 0.000 0.000 0.180 85 A C 1.760 179.345 177.584 0.000 0.000 1.566 85 A CA 0.960 52.998 52.037 0.002 0.000 1.153 85 A CB 0.427 19.428 19.000 0.002 0.000 1.462 85 A HN 1.030 nan 8.150 nan 0.000 0.523 86 G N -0.437 108.366 108.800 0.005 0.000 2.220 86 G HA2 -0.256 3.704 3.960 0.000 0.000 0.269 86 G HA3 -0.256 3.704 3.960 0.000 0.000 0.269 86 G C -0.037 174.864 174.900 0.002 0.000 0.977 86 G CA 1.077 46.180 45.100 0.004 0.000 0.634 86 G HN 0.972 nan 8.290 nan 0.000 0.539 87 D N -2.446 117.955 120.400 0.003 0.000 2.583 87 D HA 0.584 5.224 4.640 0.000 0.000 0.248 87 D C 0.785 177.088 176.300 0.005 0.000 1.209 87 D CA 1.011 55.013 54.000 0.002 0.000 0.848 87 D CB 0.706 41.498 40.800 -0.012 0.000 1.431 87 D HN 1.350 nan 8.370 nan 0.000 0.436 88 G N 0.571 109.374 108.800 0.005 0.000 2.137 88 G HA2 -0.291 3.669 3.960 0.000 0.000 0.237 88 G HA3 -0.291 3.669 3.960 0.000 0.000 0.237 88 G C 0.908 175.813 174.900 0.008 0.000 1.002 88 G CA 1.132 46.234 45.100 0.004 0.000 0.702 88 G HN 0.743 nan 8.290 nan 0.000 0.515 89 T N -2.528 112.035 114.554 0.015 0.000 2.737 89 T HA -0.089 4.261 4.350 0.000 0.000 0.265 89 T C 2.266 176.973 174.700 0.012 0.000 1.038 89 T CA 2.336 64.445 62.100 0.016 0.000 1.144 89 T CB -0.597 68.285 68.868 0.024 0.000 0.866 89 T HN 0.298 nan 8.240 nan 0.000 0.434 90 T N 2.190 116.751 114.554 0.011 0.000 2.684 90 T HA -0.135 4.215 4.350 0.000 0.000 0.267 90 T C 2.265 176.968 174.700 0.006 0.000 1.036 90 T CA 1.965 64.070 62.100 0.008 0.000 1.148 90 T CB -1.109 67.763 68.868 0.007 0.000 0.863 90 T HN 0.486 nan 8.240 nan 0.000 0.436 91 T N 1.839 116.396 114.554 0.004 0.000 2.737 91 T HA -0.094 4.256 4.350 0.000 0.000 0.269 91 T C 2.306 177.008 174.700 0.004 0.000 1.040 91 T CA 1.243 63.345 62.100 0.003 0.000 1.142 91 T CB -0.500 68.368 68.868 -0.000 0.000 0.861 91 T HN 0.460 nan 8.240 nan 0.000 0.456 92 A N 1.104 123.927 122.820 0.005 0.000 1.929 92 A HA -0.065 4.255 4.320 0.000 0.000 0.216 92 A C 2.540 180.128 177.584 0.006 0.000 1.176 92 A CA 1.844 53.884 52.037 0.005 0.000 0.628 92 A CB -1.030 17.974 19.000 0.006 0.000 0.816 92 A HN 0.492 nan 8.150 nan 0.000 0.444 93 T N -0.106 114.451 114.554 0.006 0.000 2.643 93 T HA -0.142 4.208 4.350 0.000 0.000 0.264 93 T C 1.892 176.595 174.700 0.005 0.000 1.045 93 T CA 1.647 63.751 62.100 0.005 0.000 1.155 93 T CB -0.687 68.183 68.868 0.005 0.000 0.863 93 T HN 0.124 nan 8.240 nan 0.000 0.420 94 V N 1.811 121.728 119.914 0.005 0.000 2.252 94 V HA -0.197 3.923 4.120 0.000 0.000 0.249 94 V C 2.581 178.679 176.094 0.006 0.000 1.056 94 V CA 1.742 64.046 62.300 0.006 0.000 1.022 94 V CB -0.841 30.985 31.823 0.006 0.000 0.641 94 V HN 0.423 nan 8.190 nan 0.000 0.445 95 L N -0.215 121.012 121.223 0.005 0.000 2.127 95 L HA -0.200 4.140 4.340 0.000 0.000 0.211 95 L C 2.621 179.494 176.870 0.006 0.000 1.089 95 L CA 1.491 56.334 54.840 0.006 0.000 0.757 95 L CB -0.741 41.321 42.059 0.005 0.000 0.899 95 L HN 0.389 nan 8.230 nan 0.000 0.434 96 A N -0.584 122.240 122.820 0.005 0.000 1.854 96 A HA -0.254 4.066 4.320 0.000 0.000 0.214 96 A C 2.263 179.850 177.584 0.005 0.000 1.192 96 A CA 1.587 53.627 52.037 0.005 0.000 0.611 96 A CB -0.560 18.443 19.000 0.005 0.000 0.832 96 A HN 0.447 nan 8.150 nan 0.000 0.442 97 Q N -0.373 119.430 119.800 0.005 0.000 2.045 97 Q HA -0.205 4.135 4.340 0.000 0.000 0.206 97 Q C 2.216 178.219 176.000 0.006 0.000 0.991 97 Q CA 2.076 57.882 55.803 0.005 0.000 0.851 97 Q CB -0.412 28.329 28.738 0.005 0.000 0.911 97 Q HN 0.588 nan 8.270 nan 0.000 0.418 98 A N 0.946 123.770 122.820 0.006 0.000 1.873 98 A HA -0.233 4.087 4.320 0.000 0.000 0.218 98 A C 2.040 179.628 177.584 0.007 0.000 1.193 98 A CA 1.848 53.889 52.037 0.007 0.000 0.629 98 A CB -0.961 18.043 19.000 0.007 0.000 0.826 98 A HN 0.543 nan 8.150 nan 0.000 0.447 99 I N -0.361 120.213 120.570 0.006 0.000 2.264 99 I HA -0.230 3.940 4.170 0.000 0.000 0.248 99 I C 2.319 178.439 176.117 0.006 0.000 1.111 99 I CA 1.220 62.524 61.300 0.006 0.000 1.382 99 I CB -0.368 37.635 38.000 0.006 0.000 1.060 99 I HN 0.178 nan 8.210 nan 0.000 0.418 100 V N 1.806 121.723 119.914 0.006 0.000 2.307 100 V HA -0.261 3.859 4.120 0.000 0.000 0.245 100 V C 2.643 178.741 176.094 0.006 0.000 1.045 100 V CA 2.287 64.590 62.300 0.006 0.000 1.024 100 V CB -0.900 30.926 31.823 0.005 0.000 0.651 100 V HN 0.528 nan 8.190 nan 0.000 0.449 101 R N 1.040 121.544 120.500 0.006 0.000 2.064 101 R HA -0.185 4.155 4.340 0.000 0.000 0.228 101 R C 2.159 178.464 176.300 0.007 0.000 1.144 101 R CA 1.902 58.006 56.100 0.007 0.000 0.932 101 R CB -0.818 29.486 30.300 0.007 0.000 0.833 101 R HN 0.397 nan 8.270 nan 0.000 0.429 102 E N 0.953 121.157 120.200 0.007 0.000 2.219 102 E HA -0.126 4.224 4.350 0.000 0.000 0.198 102 E C 1.843 178.447 176.600 0.007 0.000 0.998 102 E CA 1.905 58.309 56.400 0.007 0.000 0.818 102 E CB -0.550 29.154 29.700 0.007 0.000 0.741 102 E HN 0.582 nan 8.360 nan 0.000 0.477 103 G N -0.026 108.779 108.800 0.007 0.000 2.417 103 G HA2 -0.144 3.816 3.960 0.000 0.000 0.212 103 G HA3 -0.144 3.816 3.960 0.000 0.000 0.212 103 G C 1.579 176.484 174.900 0.008 0.000 1.187 103 G CA 0.474 45.578 45.100 0.008 0.000 0.804 103 G HN 0.293 nan 8.290 nan 0.000 0.534 104 L N 0.448 121.676 121.223 0.008 0.000 2.127 104 L HA -0.108 4.232 4.340 0.000 0.000 0.211 104 L C 2.832 179.708 176.870 0.010 0.000 1.089 104 L CA 1.467 56.313 54.840 0.010 0.000 0.757 104 L CB -0.264 41.800 42.059 0.009 0.000 0.899 104 L HN 0.252 nan 8.230 nan 0.000 0.434 105 K N 0.361 120.767 120.400 0.009 0.000 1.991 105 K HA -0.208 4.112 4.320 0.000 0.000 0.212 105 K C 1.852 178.458 176.600 0.009 0.000 1.049 105 K CA 1.720 58.013 56.287 0.009 0.000 0.932 105 K CB -0.075 32.430 32.500 0.008 0.000 0.717 105 K HN 0.322 nan 8.250 nan 0.000 0.441 106 N N 0.648 119.353 118.700 0.009 0.000 2.272 106 N HA -0.135 4.605 4.740 0.000 0.000 0.185 106 N C 1.797 177.313 175.510 0.010 0.000 1.014 106 N CA 1.108 54.163 53.050 0.009 0.000 0.870 106 N CB -0.116 38.375 38.487 0.008 0.000 0.975 106 N HN 0.076 nan 8.380 nan 0.000 0.433 107 V N 1.321 121.241 119.914 0.011 0.000 2.453 107 V HA -0.097 4.023 4.120 0.000 0.000 0.247 107 V C 2.446 178.549 176.094 0.014 0.000 1.048 107 V CA 1.540 63.847 62.300 0.013 0.000 1.049 107 V CB -0.791 31.041 31.823 0.014 0.000 0.672 107 V HN 0.245 nan 8.190 nan 0.000 0.457 108 A N 0.233 123.061 122.820 0.013 0.000 1.969 108 A HA -0.012 4.308 4.320 0.000 0.000 0.218 108 A C 2.227 179.818 177.584 0.012 0.000 1.169 108 A CA 1.624 53.669 52.037 0.014 0.000 0.635 108 A CB -0.576 18.432 19.000 0.013 0.000 0.810 108 A HN 0.574 nan 8.150 nan 0.000 0.445 109 A N -1.719 121.107 122.820 0.010 0.000 2.239 109 A HA 0.389 4.709 4.320 0.000 0.000 0.209 109 A C 1.764 179.353 177.584 0.009 0.000 1.171 109 A CA 1.263 53.305 52.037 0.009 0.000 0.768 109 A CB -1.027 17.978 19.000 0.008 0.000 0.790 109 A HN 1.857 nan 8.150 nan 0.000 0.478 110 G N -2.273 106.533 108.800 0.010 0.000 2.176 110 G HA2 0.096 4.056 3.960 0.000 0.000 0.232 110 G HA3 0.096 4.056 3.960 0.000 0.000 0.232 110 G C 0.484 175.390 174.900 0.010 0.000 0.986 110 G CA 0.198 45.304 45.100 0.010 0.000 0.643 110 G HN 1.616 nan 8.290 nan 0.000 0.522 111 A N 0.011 122.837 122.820 0.010 0.000 2.483 111 A HA 0.516 4.836 4.320 0.000 0.000 0.238 111 A C 0.564 178.154 177.584 0.011 0.000 1.070 111 A CA 0.732 52.775 52.037 0.009 0.000 0.770 111 A CB 0.189 19.194 19.000 0.009 0.000 1.008 111 A HN 1.144 nan 8.150 nan 0.000 0.497 112 N N 2.703 121.409 118.700 0.010 0.000 2.405 112 N HA 0.191 4.931 4.740 0.000 0.000 0.260 112 N C -1.170 174.346 175.510 0.010 0.000 1.152 112 N CA -1.825 51.231 53.050 0.010 0.000 0.948 112 N CB 0.898 39.391 38.487 0.009 0.000 1.111 112 N HN 0.296 nan 8.380 nan 0.000 0.485 113 P HA -0.199 nan 4.420 nan 0.000 0.215 113 P C 1.389 178.694 177.300 0.008 0.000 1.153 113 P CA 1.245 64.351 63.100 0.010 0.000 0.853 113 P CB 0.298 32.004 31.700 0.011 0.000 0.788 114 L N -0.292 120.936 121.223 0.009 0.000 1.990 114 L HA -0.196 4.144 4.340 0.000 0.000 0.213 114 L C 2.877 179.751 176.870 0.007 0.000 1.072 114 L CA 2.036 56.881 54.840 0.007 0.000 0.755 114 L CB -1.546 40.518 42.059 0.008 0.000 0.889 114 L HN -0.027 nan 8.230 nan 0.000 0.432 115 A N 0.054 122.878 122.820 0.007 0.000 1.933 115 A HA -0.145 4.175 4.320 0.000 0.000 0.218 115 A C 2.286 179.874 177.584 0.007 0.000 1.175 115 A CA 1.308 53.349 52.037 0.007 0.000 0.628 115 A CB -0.682 18.322 19.000 0.007 0.000 0.814 115 A HN 0.363 nan 8.150 nan 0.000 0.444 116 L N -0.766 120.461 121.223 0.007 0.000 2.079 116 L HA -0.240 4.100 4.340 0.000 0.000 0.210 116 L C 2.644 179.518 176.870 0.007 0.000 1.081 116 L CA 1.994 56.839 54.840 0.007 0.000 0.752 116 L CB -0.433 41.630 42.059 0.007 0.000 0.896 116 L HN 0.468 nan 8.230 nan 0.000 0.433 117 K N 0.216 120.620 120.400 0.006 0.000 1.985 117 K HA -0.190 4.130 4.320 0.000 0.000 0.210 117 K C 2.294 178.897 176.600 0.006 0.000 1.047 117 K CA 1.359 57.650 56.287 0.006 0.000 0.932 117 K CB -0.030 32.474 32.500 0.005 0.000 0.716 117 K HN 0.147 nan 8.250 nan 0.000 0.439 118 R N -0.487 120.016 120.500 0.006 0.000 2.113 118 R HA -0.176 4.164 4.340 0.000 0.000 0.244 118 R C 2.438 178.741 176.300 0.006 0.000 1.142 118 R CA 1.667 57.770 56.100 0.005 0.000 0.953 118 R CB -0.756 29.547 30.300 0.005 0.000 0.860 118 R HN 0.428 nan 8.270 nan 0.000 0.438 119 G N 1.011 109.814 108.800 0.006 0.000 2.418 119 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 119 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 119 G C 1.481 176.385 174.900 0.006 0.000 1.158 119 G CA 0.605 45.709 45.100 0.006 0.000 0.771 119 G HN 0.184 nan 8.290 nan 0.000 0.545 120 I N 0.448 121.021 120.570 0.006 0.000 2.179 120 I HA -0.145 4.025 4.170 0.000 0.000 0.242 120 I C 2.769 178.889 176.117 0.006 0.000 1.088 120 I CA 1.250 62.554 61.300 0.006 0.000 1.357 120 I CB -0.330 37.674 38.000 0.006 0.000 1.051 120 I HN 0.262 nan 8.210 nan 0.000 0.409 121 E N 1.208 121.411 120.200 0.006 0.000 2.021 121 E HA -0.266 4.084 4.350 0.000 0.000 0.200 121 E C 2.182 178.786 176.600 0.006 0.000 1.015 121 E CA 1.532 57.935 56.400 0.005 0.000 0.824 121 E CB -0.123 29.580 29.700 0.005 0.000 0.762 121 E HN 0.416 nan 8.360 nan 0.000 0.454 122 K N 0.507 120.910 120.400 0.006 0.000 2.044 122 K HA -0.213 4.107 4.320 0.000 0.000 0.210 122 K C 2.271 178.875 176.600 0.006 0.000 1.049 122 K CA 1.304 57.595 56.287 0.006 0.000 0.927 122 K CB -0.310 32.194 32.500 0.006 0.000 0.713 122 K HN 0.101 nan 8.250 nan 0.000 0.443 123 A N 1.242 124.066 122.820 0.006 0.000 1.908 123 A HA -0.150 4.170 4.320 0.000 0.000 0.218 123 A C 2.463 180.051 177.584 0.007 0.000 1.181 123 A CA 1.748 53.790 52.037 0.007 0.000 0.627 123 A CB -0.771 18.233 19.000 0.007 0.000 0.818 123 A HN 0.098 nan 8.150 nan 0.000 0.445 124 V N 0.030 119.948 119.914 0.007 0.000 2.295 124 V HA -0.282 3.838 4.120 0.000 0.000 0.246 124 V C 2.378 178.476 176.094 0.006 0.000 1.049 124 V CA 2.246 64.550 62.300 0.006 0.000 1.024 124 V CB -0.996 30.831 31.823 0.006 0.000 0.648 124 V HN 0.631 nan 8.190 nan 0.000 0.447 125 E N 0.571 120.775 120.200 0.006 0.000 2.033 125 E HA -0.289 4.061 4.350 0.000 0.000 0.199 125 E C 2.375 178.979 176.600 0.006 0.000 1.011 125 E CA 1.575 57.979 56.400 0.006 0.000 0.815 125 E CB -0.448 29.255 29.700 0.006 0.000 0.755 125 E HN 0.580 nan 8.360 nan 0.000 0.451 126 A N 1.421 124.245 122.820 0.007 0.000 1.917 126 A HA -0.230 4.090 4.320 0.000 0.000 0.219 126 A C 2.386 179.975 177.584 0.008 0.000 1.182 126 A CA 2.110 54.152 52.037 0.007 0.000 0.633 126 A CB -0.769 18.236 19.000 0.008 0.000 0.819 126 A HN 0.332 nan 8.150 nan 0.000 0.448 127 A N -0.679 122.146 122.820 0.008 0.000 1.877 127 A HA 0.016 4.336 4.320 0.000 0.000 0.216 127 A C 2.245 179.834 177.584 0.008 0.000 1.186 127 A CA 1.799 53.841 52.037 0.009 0.000 0.620 127 A CB -0.991 18.014 19.000 0.008 0.000 0.822 127 A HN 0.440 nan 8.150 nan 0.000 0.443 128 V N 0.090 120.008 119.914 0.007 0.000 2.287 128 V HA -0.300 3.820 4.120 0.000 0.000 0.248 128 V C 2.505 178.603 176.094 0.007 0.000 1.053 128 V CA 2.346 64.649 62.300 0.006 0.000 1.027 128 V CB -0.867 30.959 31.823 0.006 0.000 0.646 128 V HN 0.754 nan 8.190 nan 0.000 0.447 129 E N 0.282 120.486 120.200 0.007 0.000 2.097 129 E HA -0.342 4.008 4.350 0.000 0.000 0.196 129 E C 2.172 178.777 176.600 0.008 0.000 1.000 129 E CA 1.856 58.261 56.400 0.007 0.000 0.804 129 E CB -0.056 29.648 29.700 0.007 0.000 0.740 129 E HN 0.483 nan 8.360 nan 0.000 0.454 130 K N 0.517 120.923 120.400 0.009 0.000 2.217 130 K HA -0.058 4.262 4.320 0.000 0.000 0.202 130 K C 1.792 178.398 176.600 0.010 0.000 1.051 130 K CA 0.865 57.158 56.287 0.010 0.000 0.952 130 K CB -0.098 32.409 32.500 0.012 0.000 0.736 130 K HN 0.201 nan 8.250 nan 0.000 0.453 131 I N 0.445 121.020 120.570 0.009 0.000 2.163 131 I HA -0.276 3.894 4.170 0.000 0.000 0.240 131 I C 2.052 178.173 176.117 0.007 0.000 1.081 131 I CA 1.248 62.553 61.300 0.008 0.000 1.353 131 I CB -0.292 37.712 38.000 0.006 0.000 1.054 131 I HN 0.111 nan 8.210 nan 0.000 0.407 132 K N 1.310 121.714 120.400 0.006 0.000 2.001 132 K HA -0.235 4.085 4.320 0.000 0.000 0.214 132 K C 2.314 178.918 176.600 0.007 0.000 1.050 132 K CA 1.750 58.041 56.287 0.006 0.000 0.934 132 K CB -0.541 31.962 32.500 0.006 0.000 0.718 132 K HN 0.325 nan 8.250 nan 0.000 0.443 133 A N 1.650 124.475 122.820 0.008 0.000 1.935 133 A HA -0.243 4.077 4.320 0.000 0.000 0.224 133 A C 2.027 179.617 177.584 0.010 0.000 1.324 133 A CA 2.055 54.097 52.037 0.009 0.000 0.686 133 A CB -1.006 18.000 19.000 0.010 0.000 0.837 133 A HN 0.299 nan 8.150 nan 0.000 0.481 134 L N -0.950 120.279 121.223 0.010 0.000 2.592 134 L HA 0.261 4.601 4.340 0.000 0.000 0.227 134 L C 1.235 178.111 176.870 0.009 0.000 1.127 134 L CA -0.070 54.777 54.840 0.012 0.000 0.884 134 L CB -0.448 41.620 42.059 0.014 0.000 1.065 134 L HN 0.426 nan 8.230 nan 0.000 0.457 135 A N 0.950 123.774 122.820 0.007 0.000 2.425 135 A HA 0.501 4.821 4.320 0.000 0.000 0.249 135 A C -0.197 177.390 177.584 0.005 0.000 1.084 135 A CA 0.126 52.167 52.037 0.005 0.000 0.781 135 A CB 0.246 19.248 19.000 0.004 0.000 1.019 135 A HN 0.190 nan 8.150 nan 0.000 0.490 136 I N 2.933 123.506 120.570 0.004 0.000 2.466 136 I HA 0.290 4.460 4.170 0.000 0.000 0.289 136 I C -2.422 173.697 176.117 0.003 0.000 1.026 136 I CA -2.202 59.101 61.300 0.004 0.000 1.078 136 I CB 2.643 40.646 38.000 0.005 0.000 1.249 136 I HN 0.426 nan 8.210 nan 0.000 0.429 137 P HA 0.074 nan 4.420 nan 0.000 0.271 137 P C -0.704 176.598 177.300 0.003 0.000 1.216 137 P CA -0.226 62.876 63.100 0.003 0.000 0.776 137 P CB 0.577 32.279 31.700 0.004 0.000 0.881 138 V N 3.596 123.512 119.914 0.003 0.000 2.508 138 V HA 0.094 4.214 4.120 0.000 0.000 0.281 138 V C 1.043 177.139 176.094 0.004 0.000 1.041 138 V CA 0.631 62.933 62.300 0.003 0.000 1.016 138 V CB 0.150 31.974 31.823 0.003 0.000 0.984 138 V HN 0.632 nan 8.190 nan 0.000 0.478 139 E N 2.507 122.710 120.200 0.005 0.000 2.789 139 E HA 0.189 4.539 4.350 0.000 0.000 0.217 139 E C -0.618 175.986 176.600 0.006 0.000 0.970 139 E CA -0.123 56.280 56.400 0.005 0.000 1.201 139 E CB 0.807 30.510 29.700 0.005 0.000 1.069 139 E HN 1.001 nan 8.360 nan 0.000 0.499 140 D N -1.020 119.384 120.400 0.007 0.000 2.710 140 D HA 0.050 4.690 4.640 0.000 0.000 0.276 140 D C 0.452 176.757 176.300 0.010 0.000 1.267 140 D CA -0.708 53.297 54.000 0.008 0.000 0.772 140 D CB 0.969 41.773 40.800 0.006 0.000 1.299 140 D HN -0.239 nan 8.370 nan 0.000 0.421 141 R N 0.591 121.098 120.500 0.012 0.000 2.117 141 R HA -0.170 4.170 4.340 0.000 0.000 0.243 141 R C 1.805 178.112 176.300 0.012 0.000 1.143 141 R CA 1.752 57.862 56.100 0.016 0.000 0.968 141 R CB -0.291 30.020 30.300 0.018 0.000 0.863 141 R HN 0.587 nan 8.270 nan 0.000 0.444 142 K N -0.295 120.109 120.400 0.008 0.000 1.984 142 K HA -0.082 4.238 4.320 0.000 0.000 0.209 142 K C 1.990 178.591 176.600 0.001 0.000 1.046 142 K CA 1.363 57.652 56.287 0.004 0.000 0.934 142 K CB -0.256 32.245 32.500 0.002 0.000 0.717 142 K HN 0.143 nan 8.250 nan 0.000 0.438 143 A N 1.597 124.418 122.820 0.001 0.000 1.971 143 A HA -0.218 4.102 4.320 0.000 0.000 0.222 143 A C 2.100 179.682 177.584 -0.002 0.000 1.182 143 A CA 1.833 53.870 52.037 -0.001 0.000 0.649 143 A CB -0.660 18.341 19.000 0.001 0.000 0.818 143 A HN 0.431 nan 8.150 nan 0.000 0.458 144 I N -1.479 119.092 120.570 0.002 0.000 2.400 144 I HA -0.155 4.015 4.170 0.000 0.000 0.248 144 I C 2.515 178.632 176.117 0.000 0.000 1.109 144 I CA 1.390 62.692 61.300 0.003 0.000 1.425 144 I CB -0.422 37.584 38.000 0.010 0.000 1.094 144 I HN 0.557 nan 8.210 nan 0.000 0.425 145 E N 1.404 121.605 120.200 0.003 0.000 2.160 145 E HA -0.257 4.093 4.350 0.000 0.000 0.195 145 E C 1.844 178.436 176.600 -0.013 0.000 0.991 145 E CA 1.446 57.846 56.400 -0.001 0.000 0.810 145 E CB 0.143 29.845 29.700 0.003 0.000 0.742 145 E HN 0.504 nan 8.360 nan 0.000 0.466 146 E N -0.016 120.175 120.200 -0.015 0.000 2.006 146 E HA -0.168 4.182 4.350 0.000 0.000 0.192 146 E C 2.286 178.869 176.600 -0.029 0.000 0.993 146 E CA 1.381 57.767 56.400 -0.023 0.000 0.808 146 E CB -0.171 29.517 29.700 -0.021 0.000 0.764 146 E HN 0.114 nan 8.360 nan 0.000 0.449 147 V N 1.780 121.680 119.914 -0.023 0.000 2.277 147 V HA -0.365 3.755 4.120 0.000 0.000 0.253 147 V C 2.356 178.431 176.094 -0.032 0.000 1.067 147 V CA 2.194 64.479 62.300 -0.025 0.000 1.047 147 V CB -0.851 30.962 31.823 -0.017 0.000 0.649 147 V HN 0.385 nan 8.190 nan 0.000 0.447 148 A N -0.763 122.039 122.820 -0.029 0.000 1.873 148 A HA -0.202 4.118 4.320 0.000 0.000 0.215 148 A C 2.387 179.933 177.584 -0.064 0.000 1.186 148 A CA 2.339 54.352 52.037 -0.040 0.000 0.616 148 A CB -1.059 17.928 19.000 -0.023 0.000 0.823 148 A HN 0.503 nan 8.150 nan 0.000 0.442 149 T N 0.570 115.089 114.554 -0.057 0.000 2.699 149 T HA -0.174 4.176 4.350 0.000 0.000 0.268 149 T C 1.789 176.444 174.700 -0.074 0.000 1.036 149 T CA 1.690 63.748 62.100 -0.070 0.000 1.147 149 T CB -0.468 68.368 68.868 -0.054 0.000 0.862 149 T HN 0.405 nan 8.240 nan 0.000 0.446 150 I N 0.569 121.102 120.570 -0.063 0.000 2.072 150 I HA -0.193 3.977 4.170 0.000 0.000 0.235 150 I C 2.796 178.875 176.117 -0.064 0.000 1.058 150 I CA 1.196 62.459 61.300 -0.063 0.000 1.320 150 I CB -0.576 37.391 38.000 -0.055 0.000 1.047 150 I HN 0.211 nan 8.210 nan 0.000 0.397 151 S N 0.239 115.904 115.700 -0.058 0.000 2.413 151 S HA -0.275 4.195 4.470 0.000 0.000 0.237 151 S C 1.846 176.403 174.600 -0.072 0.000 1.044 151 S CA 1.877 60.043 58.200 -0.056 0.000 1.024 151 S CB -0.228 62.941 63.200 -0.052 0.000 0.829 151 S HN 0.531 nan 8.310 nan 0.000 0.475 152 A N 0.116 122.876 122.820 -0.099 0.000 2.220 152 A HA 0.343 4.663 4.320 0.000 0.000 0.211 152 A C 0.870 178.383 177.584 -0.117 0.000 1.176 152 A CA 0.735 52.690 52.037 -0.136 0.000 0.834 152 A CB -0.414 18.451 19.000 -0.226 0.000 0.868 152 A HN 0.655 nan 8.150 nan 0.000 0.488 153 N N 0.133 118.777 118.700 -0.094 0.000 2.738 153 N HA -0.156 4.584 4.740 0.000 0.000 0.249 153 N C -1.146 174.310 175.510 -0.090 0.000 1.047 153 N CA 1.138 54.140 53.050 -0.079 0.000 0.707 153 N CB -0.841 37.609 38.487 -0.061 0.000 0.937 153 N HN 0.550 nan 8.380 nan 0.000 0.545 154 D N -2.194 118.142 120.400 -0.106 0.000 2.795 154 D HA 0.226 4.866 4.640 0.000 0.000 0.206 154 D C -2.313 173.927 176.300 -0.100 0.000 1.278 154 D CA -1.206 52.729 54.000 -0.109 0.000 0.839 154 D CB 1.543 42.251 40.800 -0.153 0.000 1.700 154 D HN -0.112 nan 8.370 nan 0.000 0.549 155 P HA -0.059 nan 4.420 nan 0.000 0.215 155 P C 0.997 178.270 177.300 -0.045 0.000 1.157 155 P CA 1.152 64.221 63.100 -0.051 0.000 0.863 155 P CB 0.516 32.194 31.700 -0.035 0.000 0.787 156 E N -0.443 119.731 120.200 -0.042 0.000 2.049 156 E HA -0.158 4.192 4.350 0.000 0.000 0.198 156 E C 2.018 178.607 176.600 -0.019 0.000 1.007 156 E CA 1.329 57.720 56.400 -0.015 0.000 0.809 156 E CB -0.931 28.768 29.700 -0.002 0.000 0.749 156 E HN 0.016 nan 8.360 nan 0.000 0.450 157 V N 0.958 120.787 119.914 -0.142 0.000 2.332 157 V HA -0.213 3.907 4.120 0.000 0.000 0.248 157 V C 2.362 178.402 176.094 -0.089 0.000 1.055 157 V CA 2.038 64.168 62.300 -0.283 0.000 1.038 157 V CB -0.943 30.458 31.823 -0.704 0.000 0.651 157 V HN 0.452 nan 8.190 nan 0.000 0.450 158 G N -0.846 107.903 108.800 -0.085 0.000 2.470 158 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 158 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 158 G C 1.603 176.506 174.900 0.005 0.000 1.121 158 G CA 0.942 46.020 45.100 -0.037 0.000 0.766 158 G HN 0.497 nan 8.290 nan 0.000 0.553 159 K N 0.190 120.601 120.400 0.017 0.000 1.975 159 K HA 0.088 4.408 4.320 0.000 0.000 0.210 159 K C 2.497 179.136 176.600 0.065 0.000 1.041 159 K CA 0.577 56.886 56.287 0.037 0.000 0.942 159 K CB -0.399 32.122 32.500 0.036 0.000 0.729 159 K HN 0.260 nan 8.250 nan 0.000 0.439 160 L N 1.524 122.806 121.223 0.099 0.000 2.051 160 L HA -0.259 4.081 4.340 0.000 0.000 0.214 160 L C 2.565 179.489 176.870 0.090 0.000 1.076 160 L CA 1.057 55.962 54.840 0.108 0.000 0.758 160 L CB -0.697 41.463 42.059 0.169 0.000 0.890 160 L HN 0.336 nan 8.230 nan 0.000 0.433 161 I N 0.226 120.867 120.570 0.118 0.000 2.264 161 I HA -0.254 3.916 4.170 0.000 0.000 0.248 161 I C 2.825 178.974 176.117 0.053 0.000 1.111 161 I CA 1.676 63.026 61.300 0.083 0.000 1.382 161 I CB -1.425 36.624 38.000 0.081 0.000 1.060 161 I HN 0.214 nan 8.210 nan 0.000 0.418 162 A N 0.581 123.432 122.820 0.051 0.000 1.872 162 A HA -0.171 4.149 4.320 0.000 0.000 0.214 162 A C 2.029 179.653 177.584 0.065 0.000 1.187 162 A CA 1.551 53.616 52.037 0.046 0.000 0.614 162 A CB -0.530 18.491 19.000 0.035 0.000 0.826 162 A HN 0.313 nan 8.150 nan 0.000 0.442 163 D N 0.390 120.838 120.400 0.080 0.000 2.103 163 D HA -0.141 4.499 4.640 0.000 0.000 0.190 163 D C 2.306 178.718 176.300 0.186 0.000 0.997 163 D CA 1.841 55.914 54.000 0.122 0.000 0.833 163 D CB -0.630 40.248 40.800 0.131 0.000 0.961 163 D HN 0.390 nan 8.370 nan 0.000 0.447 164 A N 0.967 123.862 122.820 0.126 0.000 1.851 164 A HA -0.231 4.089 4.320 0.000 0.000 0.216 164 A C 2.220 179.880 177.584 0.128 0.000 1.195 164 A CA 2.457 54.540 52.037 0.076 0.000 0.622 164 A CB -0.780 18.137 19.000 -0.138 0.000 0.831 164 A HN 0.204 nan 8.150 nan 0.000 0.444 165 M N 0.146 119.787 119.600 0.069 0.000 2.108 165 M HA -0.230 4.250 4.480 0.000 0.000 0.257 165 M C 1.895 178.241 176.300 0.076 0.000 1.071 165 M CA 2.533 57.868 55.300 0.059 0.000 1.093 165 M CB -0.553 32.070 32.600 0.039 0.000 1.345 165 M HN 0.648 nan 8.290 nan 0.000 0.403 166 E N -0.039 120.213 120.200 0.087 0.000 2.028 166 E HA -0.210 4.140 4.350 0.000 0.000 0.191 166 E C 0.732 177.379 176.600 0.079 0.000 0.988 166 E CA 1.289 57.732 56.400 0.070 0.000 0.799 166 E CB -0.098 29.638 29.700 0.061 0.000 0.755 166 E HN 0.520 nan 8.360 nan 0.000 0.447 167 K N 0.079 120.559 120.400 0.132 0.000 2.968 167 K HA 0.108 4.428 4.320 0.000 0.000 0.249 167 K C -0.111 176.599 176.600 0.184 0.000 1.062 167 K CA -0.157 56.183 56.287 0.087 0.000 1.215 167 K CB 0.889 33.343 32.500 -0.075 0.000 1.097 167 K HN 0.016 nan 8.250 nan 0.000 0.462 168 V N -1.024 118.980 119.914 0.151 0.000 3.777 168 V HA 0.133 4.253 4.120 0.000 0.000 0.285 168 V C 0.416 176.553 176.094 0.071 0.000 1.668 168 V CA -0.104 62.275 62.300 0.133 0.000 1.178 168 V CB 0.496 32.410 31.823 0.152 0.000 0.962 168 V HN 0.568 nan 8.190 nan 0.000 0.411 169 G N 2.520 111.354 108.800 0.056 0.000 2.881 169 G HA2 -0.278 3.682 3.960 0.000 0.000 0.681 169 G HA3 -0.278 3.682 3.960 0.000 0.000 0.681 169 G C 0.570 175.489 174.900 0.031 0.000 1.567 169 G CA 0.390 45.511 45.100 0.036 0.000 1.013 169 G HN 0.710 nan 8.290 nan 0.000 0.580 170 K N -0.319 120.094 120.400 0.023 0.000 2.360 170 K HA -0.037 4.283 4.320 0.000 0.000 0.201 170 K C 1.446 178.055 176.600 0.015 0.000 1.046 170 K CA 2.044 58.341 56.287 0.018 0.000 0.945 170 K CB 0.127 32.635 32.500 0.014 0.000 0.750 170 K HN 0.640 nan 8.250 nan 0.000 0.464 171 E N 1.095 121.305 120.200 0.016 0.000 2.474 171 E HA 0.079 4.429 4.350 0.000 0.000 0.195 171 E C 0.899 177.508 176.600 0.016 0.000 1.039 171 E CA -0.214 56.194 56.400 0.014 0.000 0.881 171 E CB 0.636 30.344 29.700 0.013 0.000 0.970 171 E HN 0.487 nan 8.360 nan 0.000 0.486 172 G N 1.135 109.948 108.800 0.021 0.000 2.468 172 G HA2 0.376 4.336 3.960 0.000 0.000 0.264 172 G HA3 0.376 4.336 3.960 0.000 0.000 0.264 172 G C -0.129 174.777 174.900 0.010 0.000 1.460 172 G CA -0.356 44.758 45.100 0.024 0.000 1.060 172 G HN 0.075 nan 8.290 nan 0.000 0.543 173 I N -0.139 120.433 120.570 0.003 0.000 2.610 173 I HA 0.331 4.501 4.170 0.000 0.000 0.289 173 I C -0.974 175.119 176.117 -0.040 0.000 1.163 173 I CA -0.389 60.900 61.300 -0.017 0.000 1.044 173 I CB 2.220 40.207 38.000 -0.020 0.000 1.251 173 I HN 0.204 nan 8.210 nan 0.000 0.424 174 I N 5.007 125.547 120.570 -0.050 0.000 2.530 174 I HA 0.501 4.671 4.170 0.000 0.000 0.297 174 I C -0.400 175.665 176.117 -0.086 0.000 1.011 174 I CA -0.443 60.807 61.300 -0.083 0.000 1.107 174 I CB 2.339 40.297 38.000 -0.070 0.000 1.285 174 I HN 0.399 nan 8.210 nan 0.000 0.436 175 T N 4.456 118.939 114.554 -0.118 0.000 2.876 175 T HA 0.479 4.829 4.350 0.000 0.000 0.289 175 T C -0.580 174.033 174.700 -0.145 0.000 1.014 175 T CA -0.472 61.562 62.100 -0.110 0.000 0.986 175 T CB 2.368 71.174 68.868 -0.103 0.000 1.021 175 T HN 0.189 nan 8.240 nan 0.000 0.458 176 V N 3.180 123.020 119.914 -0.123 0.000 2.370 176 V HA 0.501 4.621 4.120 0.000 0.000 0.283 176 V C 0.062 176.082 176.094 -0.125 0.000 1.023 176 V CA -0.562 61.642 62.300 -0.161 0.000 0.857 176 V CB 1.260 33.017 31.823 -0.109 0.000 0.985 176 V HN 0.837 nan 8.190 nan 0.000 0.443 177 E N 2.251 122.360 120.200 -0.151 0.000 2.359 177 E HA 0.436 4.786 4.350 0.000 0.000 0.266 177 E C -0.899 175.642 176.600 -0.097 0.000 0.920 177 E CA -0.881 55.456 56.400 -0.104 0.000 0.788 177 E CB 2.502 32.142 29.700 -0.100 0.000 1.279 177 E HN 0.709 nan 8.360 nan 0.000 0.438 178 E N 1.397 121.561 120.200 -0.060 0.000 1.936 178 E HA 0.122 4.472 4.350 0.000 0.000 0.267 178 E C -0.371 176.202 176.600 -0.045 0.000 1.076 178 E CA -0.188 56.187 56.400 -0.043 0.000 0.870 178 E CB 0.691 30.379 29.700 -0.020 0.000 1.093 178 E HN 0.376 nan 8.360 nan 0.000 0.411 179 S N 3.454 119.121 115.700 -0.055 0.000 2.658 179 S HA 0.030 4.500 4.470 0.000 0.000 0.249 179 S C 0.959 175.542 174.600 -0.029 0.000 1.363 179 S CA 0.101 58.272 58.200 -0.048 0.000 0.964 179 S CB 0.579 63.748 63.200 -0.052 0.000 0.973 179 S HN 0.500 nan 8.310 nan 0.000 0.588 180 K N 0.093 120.479 120.400 -0.024 0.000 2.436 180 K HA 0.196 4.516 4.320 0.000 0.000 0.198 180 K C 0.971 177.565 176.600 -0.010 0.000 1.174 180 K CA 0.381 56.658 56.287 -0.015 0.000 0.951 180 K CB -0.279 32.211 32.500 -0.016 0.000 1.040 180 K HN 0.706 nan 8.250 nan 0.000 0.536 181 S N 0.338 116.032 115.700 -0.011 0.000 2.655 181 S HA 0.264 4.734 4.470 0.000 0.000 0.265 181 S C 1.433 176.033 174.600 -0.000 0.000 1.240 181 S CA -0.541 57.656 58.200 -0.005 0.000 0.986 181 S CB 0.596 63.793 63.200 -0.006 0.000 0.985 181 S HN 0.069 nan 8.310 nan 0.000 0.562 182 L N -0.333 120.892 121.223 0.004 0.000 2.376 182 L HA 0.195 4.535 4.340 0.000 0.000 0.219 182 L C 1.371 178.250 176.870 0.016 0.000 1.133 182 L CA 0.816 55.663 54.840 0.011 0.000 0.816 182 L CB -0.424 41.641 42.059 0.011 0.000 0.933 182 L HN 0.762 nan 8.230 nan 0.000 0.449 183 E N -0.280 119.927 120.200 0.011 0.000 2.248 183 E HA 0.218 4.568 4.350 0.000 0.000 0.272 183 E C -0.664 175.941 176.600 0.007 0.000 1.008 183 E CA -0.499 55.910 56.400 0.016 0.000 0.856 183 E CB 1.419 31.127 29.700 0.013 0.000 1.120 183 E HN -0.114 nan 8.360 nan 0.000 0.397 184 T N 3.089 117.655 114.554 0.019 0.000 2.882 184 T HA 0.292 4.642 4.350 0.000 0.000 0.287 184 T C -0.715 173.969 174.700 -0.027 0.000 0.992 184 T CA -0.458 61.636 62.100 -0.010 0.000 1.076 184 T CB 0.877 69.772 68.868 0.044 0.000 0.961 184 T HN 0.404 nan 8.240 nan 0.000 0.490 185 E N 1.258 121.414 120.200 -0.074 0.000 2.293 185 E HA 0.498 4.848 4.350 0.000 0.000 0.270 185 E C -1.383 175.147 176.600 -0.116 0.000 0.879 185 E CA -0.985 55.376 56.400 -0.066 0.000 0.756 185 E CB 2.205 31.876 29.700 -0.049 0.000 1.208 185 E HN 0.247 nan 8.360 nan 0.000 0.428 186 L N 2.405 123.572 121.223 -0.094 0.000 2.296 186 L HA 0.485 4.825 4.340 0.000 0.000 0.286 186 L C -1.311 175.471 176.870 -0.147 0.000 1.023 186 L CA -0.091 54.649 54.840 -0.166 0.000 0.812 186 L CB 0.515 42.496 42.059 -0.130 0.000 1.223 186 L HN 0.433 nan 8.230 nan 0.000 0.421 187 K N 4.810 125.059 120.400 -0.252 0.000 2.464 187 K HA 0.553 4.873 4.320 0.000 0.000 0.253 187 K C -1.513 174.928 176.600 -0.265 0.000 0.933 187 K CA -0.482 55.730 56.287 -0.126 0.000 0.801 187 K CB 2.023 34.491 32.500 -0.054 0.000 1.271 187 K HN 0.295 nan 8.250 nan 0.000 0.430 188 F N 0.539 120.469 119.950 -0.034 0.000 2.440 188 F HA 0.502 5.029 4.527 0.000 0.000 0.328 188 F C 0.294 176.073 175.800 -0.034 0.000 1.070 188 F CA -0.978 57.003 58.000 -0.032 0.000 1.011 188 F CB 1.222 40.207 39.000 -0.024 0.000 1.226 188 F HN 0.027 nan 8.300 nan 0.000 0.491 189 V N 1.611 121.611 119.914 0.143 0.000 2.769 189 V HA 0.284 4.404 4.120 0.000 0.000 0.312 189 V C 0.504 176.636 176.094 0.065 0.000 1.058 189 V CA -0.573 61.765 62.300 0.062 0.000 0.952 189 V CB 1.871 33.696 31.823 0.004 0.000 1.019 189 V HN 0.708 nan 8.190 nan 0.000 0.445 190 E N 2.034 122.255 120.200 0.036 0.000 2.004 190 E HA 0.134 4.484 4.350 0.000 0.000 0.194 190 E C 0.857 177.479 176.600 0.035 0.000 0.981 190 E CA 1.277 57.696 56.400 0.031 0.000 0.842 190 E CB -0.253 29.458 29.700 0.018 0.000 0.796 190 E HN 0.835 nan 8.360 nan 0.000 0.477 191 G N -1.103 107.722 108.800 0.040 0.000 3.234 191 G HA2 0.222 4.182 3.960 0.000 0.000 0.159 191 G HA3 0.222 4.182 3.960 0.000 0.000 0.159 191 G C -1.198 173.760 174.900 0.096 0.000 1.175 191 G CA -0.548 44.596 45.100 0.073 0.000 0.900 191 G HN 0.252 nan 8.290 nan 0.000 0.621 192 Y N 2.116 122.436 120.300 0.034 0.000 2.531 192 Y HA 0.437 4.987 4.550 -0.000 0.000 0.347 192 Y C 0.484 176.427 175.900 0.072 0.000 1.024 192 Y CA -0.403 57.736 58.100 0.065 0.000 1.306 192 Y CB 0.182 38.694 38.460 0.086 0.000 1.149 192 Y HN 0.500 nan 8.280 nan 0.000 0.527 193 Q N 6.362 126.088 119.800 -0.122 0.000 2.394 193 Q HA 0.656 4.996 4.340 0.000 0.000 0.273 193 Q C -1.837 174.113 176.000 -0.083 0.000 1.089 193 Q CA -0.992 54.763 55.803 -0.080 0.000 0.812 193 Q CB 2.447 31.117 28.738 -0.114 0.000 1.353 193 Q HN 0.599 nan 8.270 nan 0.000 0.438 194 F N -1.533 118.408 119.950 -0.016 0.000 2.601 194 F HA 0.459 4.986 4.527 0.000 0.000 0.309 194 F C -0.951 174.849 175.800 -0.001 0.000 1.089 194 F CA -1.305 56.685 58.000 -0.016 0.000 0.940 194 F CB 1.368 40.416 39.000 0.081 0.000 1.273 194 F HN 0.413 nan 8.300 nan 0.000 0.450 195 D N 3.343 123.831 120.400 0.146 0.000 2.662 195 D HA 0.136 4.776 4.640 0.000 0.000 0.228 195 D C -0.430 175.938 176.300 0.115 0.000 1.093 195 D CA 0.474 54.506 54.000 0.054 0.000 1.075 195 D CB 0.091 40.914 40.800 0.037 0.000 1.122 195 D HN 0.288 nan 8.370 nan 0.000 0.475 196 K N 0.505 120.951 120.400 0.077 0.000 2.565 196 K HA 0.451 4.771 4.320 0.000 0.000 0.251 196 K C 0.056 176.647 176.600 -0.016 0.000 0.956 196 K CA -0.602 55.768 56.287 0.139 0.000 0.809 196 K CB 2.721 35.494 32.500 0.455 0.000 1.267 196 K HN 0.277 nan 8.250 nan 0.000 0.438 197 G N 0.873 109.635 108.800 -0.064 0.000 2.828 197 G HA2 0.450 4.410 3.960 0.000 0.000 0.244 197 G HA3 0.450 4.410 3.960 0.000 0.000 0.244 197 G C -0.804 174.072 174.900 -0.041 0.000 1.365 197 G CA -0.512 44.483 45.100 -0.175 0.000 1.041 197 G HN 0.451 nan 8.290 nan 0.000 0.560 198 Y N -0.754 119.617 120.300 0.119 0.000 2.425 198 Y HA 0.409 4.959 4.550 0.000 0.000 0.331 198 Y C 1.267 177.260 175.900 0.155 0.000 1.157 198 Y CA -1.268 56.956 58.100 0.207 0.000 1.372 198 Y CB 0.298 38.922 38.460 0.274 0.000 1.253 198 Y HN 0.239 nan 8.280 nan 0.000 0.536 199 I N 1.586 122.396 120.570 0.400 0.000 3.241 199 I HA -0.103 4.067 4.170 0.000 0.000 0.280 199 I C 0.711 176.917 176.117 0.148 0.000 1.320 199 I CA 1.155 62.600 61.300 0.242 0.000 1.413 199 I CB -0.310 37.836 38.000 0.244 0.000 1.060 199 I HN 0.647 nan 8.210 nan 0.000 0.500 200 S N -0.640 115.125 115.700 0.109 0.000 2.560 200 S HA 0.257 4.727 4.470 0.000 0.000 0.283 200 S C -2.079 172.358 174.600 -0.271 0.000 1.141 200 S CA -0.943 57.199 58.200 -0.097 0.000 0.902 200 S CB 1.580 64.602 63.200 -0.297 0.000 1.104 200 S HN -0.199 nan 8.310 nan 0.000 0.454 201 P HA -0.116 nan 4.420 nan 0.000 0.219 201 P C 0.944 177.880 177.300 -0.608 0.000 1.146 201 P CA 1.234 64.011 63.100 -0.539 0.000 0.808 201 P CB -0.196 31.309 31.700 -0.325 0.000 0.779 202 Y N -0.451 119.585 120.300 -0.440 0.000 2.298 202 Y HA -0.144 4.406 4.550 -0.000 0.000 0.287 202 Y C 2.260 178.062 175.900 -0.164 0.000 1.164 202 Y CA 1.042 58.962 58.100 -0.301 0.000 1.229 202 Y CB -1.682 36.605 38.460 -0.289 0.000 0.977 202 Y HN -0.073 nan 8.280 nan 0.000 0.538 203 F N 0.046 119.922 119.950 -0.123 0.000 2.805 203 F HA 0.005 4.532 4.527 -0.000 0.000 0.301 203 F C 0.836 176.507 175.800 -0.214 0.000 1.196 203 F CA -0.764 57.154 58.000 -0.137 0.000 1.439 203 F CB -0.474 38.470 39.000 -0.094 0.000 1.117 203 F HN -0.187 nan 8.300 nan 0.000 0.581 204 V N -1.715 118.107 119.914 -0.154 0.000 2.740 204 V HA 0.039 4.159 4.120 0.000 0.000 0.303 204 V C 0.699 176.780 176.094 -0.022 0.000 1.054 204 V CA -0.004 62.216 62.300 -0.134 0.000 1.106 204 V CB 0.998 32.714 31.823 -0.178 0.000 0.957 204 V HN 0.113 nan 8.190 nan 0.000 0.486 205 T N 1.931 116.486 114.554 0.003 0.000 3.034 205 T HA 0.121 4.471 4.350 0.000 0.000 0.248 205 T C 0.733 175.437 174.700 0.008 0.000 1.040 205 T CA 0.442 62.550 62.100 0.014 0.000 1.107 205 T CB -0.134 68.748 68.868 0.022 0.000 0.932 205 T HN 0.744 nan 8.240 nan 0.000 0.474 206 N N 1.265 119.969 118.700 0.007 0.000 2.342 206 N HA 0.273 5.013 4.740 0.000 0.000 0.293 206 N C -2.106 173.403 175.510 -0.003 0.000 1.026 206 N CA -2.117 50.936 53.050 0.006 0.000 0.857 206 N CB 2.887 41.383 38.487 0.015 0.000 1.256 206 N HN -0.082 nan 8.380 nan 0.000 0.484 207 P HA -0.045 nan 4.420 nan 0.000 0.212 207 P C 0.590 177.885 177.300 -0.008 0.000 1.179 207 P CA 1.307 64.397 63.100 -0.017 0.000 0.898 207 P CB 0.687 32.377 31.700 -0.016 0.000 0.775 208 E N -0.123 120.075 120.200 -0.003 0.000 2.049 208 E HA -0.140 4.210 4.350 0.000 0.000 0.198 208 E C 2.026 178.631 176.600 0.008 0.000 1.007 208 E CA 2.017 58.417 56.400 0.000 0.000 0.809 208 E CB -0.990 28.711 29.700 0.000 0.000 0.749 208 E HN 0.294 nan 8.360 nan 0.000 0.450 209 T N 0.928 115.491 114.554 0.014 0.000 3.035 209 T HA -0.051 4.299 4.350 0.000 0.000 0.268 209 T C 0.810 175.539 174.700 0.048 0.000 1.109 209 T CA 0.596 62.711 62.100 0.025 0.000 1.119 209 T CB 0.006 68.890 68.868 0.026 0.000 0.900 209 T HN 0.152 nan 8.240 nan 0.000 0.503 210 M N 0.737 120.365 119.600 0.047 0.000 2.461 210 M HA -0.166 4.314 4.480 0.000 0.000 0.203 210 M C -0.167 176.245 176.300 0.187 0.000 0.428 210 M CA 0.858 56.210 55.300 0.087 0.000 0.509 210 M CB -2.089 30.575 32.600 0.107 0.000 1.851 210 M HN 0.468 nan 8.290 nan 0.000 0.834 211 E N -0.240 120.037 120.200 0.128 0.000 2.390 211 E HA 0.827 5.177 4.350 0.000 0.000 0.249 211 E C -0.048 176.623 176.600 0.118 0.000 0.981 211 E CA -0.524 55.981 56.400 0.176 0.000 0.860 211 E CB 1.741 31.500 29.700 0.099 0.000 1.278 211 E HN 0.348 nan 8.360 nan 0.000 0.416 212 A N 1.154 124.054 122.820 0.133 0.000 2.745 212 A HA 0.390 4.710 4.320 0.000 0.000 0.301 212 A C -1.056 176.567 177.584 0.065 0.000 1.188 212 A CA -0.513 51.578 52.037 0.090 0.000 0.746 212 A CB 0.372 19.449 19.000 0.128 0.000 1.207 212 A HN 0.214 nan 8.150 nan 0.000 0.432 213 V N 3.041 122.978 119.914 0.039 0.000 2.498 213 V HA 0.437 4.557 4.120 0.000 0.000 0.279 213 V C -0.083 176.018 176.094 0.012 0.000 1.048 213 V CA -0.052 62.261 62.300 0.022 0.000 0.967 213 V CB 1.122 32.953 31.823 0.014 0.000 0.988 213 V HN 0.682 nan 8.190 nan 0.000 0.473 214 L N 4.780 126.005 121.223 0.003 0.000 2.427 214 L HA 0.481 4.821 4.340 0.000 0.000 0.264 214 L C -0.107 176.749 176.870 -0.023 0.000 0.989 214 L CA -0.587 54.248 54.840 -0.008 0.000 0.865 214 L CB 1.568 43.621 42.059 -0.009 0.000 1.209 214 L HN 0.557 nan 8.230 nan 0.000 0.430 215 E N 2.388 122.573 120.200 -0.024 0.000 2.344 215 E HA -0.014 4.336 4.350 0.000 0.000 0.270 215 E C -0.062 176.498 176.600 -0.066 0.000 1.021 215 E CA -0.154 56.224 56.400 -0.037 0.000 0.887 215 E CB 0.854 30.538 29.700 -0.027 0.000 0.997 215 E HN 0.501 nan 8.360 nan 0.000 0.429 216 D N 1.449 121.793 120.400 -0.093 0.000 2.886 216 D HA -0.215 4.425 4.640 0.000 0.000 0.221 216 D C -1.108 175.052 176.300 -0.233 0.000 1.227 216 D CA 0.854 54.757 54.000 -0.162 0.000 0.746 216 D CB -0.678 40.032 40.800 -0.149 0.000 0.935 216 D HN 0.533 nan 8.370 nan 0.000 0.399 217 A N 1.566 124.265 122.820 -0.201 0.000 2.269 217 A HA 0.699 5.019 4.320 0.000 0.000 0.319 217 A C -0.121 177.294 177.584 -0.282 0.000 1.110 217 A CA -0.589 51.343 52.037 -0.175 0.000 0.847 217 A CB 0.632 19.599 19.000 -0.056 0.000 1.161 217 A HN 0.221 nan 8.150 nan 0.000 0.497 218 F N -0.032 119.900 119.950 -0.030 0.000 2.399 218 F HA 0.533 5.060 4.527 -0.000 0.000 0.334 218 F C 0.249 176.026 175.800 -0.038 0.000 1.097 218 F CA -0.032 57.947 58.000 -0.035 0.000 1.076 218 F CB 1.490 40.467 39.000 -0.037 0.000 1.162 218 F HN 0.253 nan 8.300 nan 0.000 0.495 219 I N 4.657 125.308 120.570 0.135 0.000 2.382 219 I HA 0.232 4.402 4.170 0.000 0.000 0.285 219 I C -0.966 175.172 176.117 0.034 0.000 1.007 219 I CA -0.801 60.533 61.300 0.057 0.000 1.142 219 I CB 1.460 39.467 38.000 0.013 0.000 1.289 219 I HN 0.314 nan 8.210 nan 0.000 0.453 220 L N 8.422 129.656 121.223 0.019 0.000 2.350 220 L HA 0.516 4.856 4.340 0.000 0.000 0.275 220 L C -0.449 176.407 176.870 -0.025 0.000 1.099 220 L CA 0.238 55.070 54.840 -0.013 0.000 0.808 220 L CB 0.818 42.868 42.059 -0.015 0.000 1.149 220 L HN 0.437 nan 8.230 nan 0.000 0.442 221 I N 6.079 126.620 120.570 -0.048 0.000 2.714 221 I HA 0.232 4.402 4.170 0.000 0.000 0.276 221 I C -0.846 175.242 176.117 -0.049 0.000 1.196 221 I CA -0.512 60.756 61.300 -0.053 0.000 1.068 221 I CB 1.228 39.182 38.000 -0.076 0.000 1.291 221 I HN 0.211 nan 8.210 nan 0.000 0.530 222 V N 4.266 124.163 119.914 -0.028 0.000 2.546 222 V HA 0.130 4.250 4.120 0.000 0.000 0.284 222 V C 1.302 177.389 176.094 -0.011 0.000 1.050 222 V CA -0.027 62.265 62.300 -0.014 0.000 0.981 222 V CB 1.957 33.780 31.823 0.000 0.000 0.990 222 V HN 0.744 nan 8.190 nan 0.000 0.474 223 E N 2.877 123.075 120.200 -0.004 0.000 2.086 223 E HA -0.052 4.298 4.350 0.000 0.000 0.190 223 E C 0.557 177.161 176.600 0.007 0.000 0.975 223 E CA 0.595 56.992 56.400 -0.004 0.000 0.813 223 E CB 0.323 30.024 29.700 0.001 0.000 0.768 223 E HN 0.658 nan 8.360 nan 0.000 0.457 224 K N 1.072 121.481 120.400 0.014 0.000 2.273 224 K HA 0.151 4.471 4.320 0.000 0.000 0.240 224 K C 0.084 176.699 176.600 0.024 0.000 1.056 224 K CA -0.302 55.997 56.287 0.020 0.000 0.910 224 K CB 0.355 32.868 32.500 0.021 0.000 1.196 224 K HN -0.127 nan 8.250 nan 0.000 0.509 225 K N 0.032 120.449 120.400 0.029 0.000 2.107 225 K HA 0.322 4.642 4.320 0.000 0.000 0.251 225 K C -1.108 175.511 176.600 0.031 0.000 1.012 225 K CA -0.504 55.803 56.287 0.034 0.000 0.920 225 K CB 0.627 33.148 32.500 0.036 0.000 1.033 225 K HN 0.237 nan 8.250 nan 0.000 0.478 226 V N 3.112 123.047 119.914 0.036 0.000 2.445 226 V HA 0.105 4.225 4.120 0.000 0.000 0.283 226 V C 0.189 176.305 176.094 0.037 0.000 1.014 226 V CA -0.459 61.861 62.300 0.033 0.000 0.852 226 V CB 0.992 32.834 31.823 0.031 0.000 1.021 226 V HN 0.978 nan 8.190 nan 0.000 0.435 227 S N 1.682 117.400 115.700 0.031 0.000 2.593 227 S HA 0.138 4.608 4.470 0.000 0.000 0.235 227 S C 0.684 175.298 174.600 0.023 0.000 1.059 227 S CA -0.129 58.089 58.200 0.030 0.000 0.953 227 S CB 0.138 63.354 63.200 0.028 0.000 0.897 227 S HN 0.581 nan 8.310 nan 0.000 0.507 228 N N 2.344 121.056 118.700 0.020 0.000 2.420 228 N HA 0.163 4.903 4.740 0.000 0.000 0.262 228 N C 1.107 176.626 175.510 0.014 0.000 1.144 228 N CA 0.132 53.191 53.050 0.015 0.000 0.952 228 N CB 1.486 39.982 38.487 0.014 0.000 1.081 228 N HN 0.086 nan 8.380 nan 0.000 0.480 229 V N 5.869 125.790 119.914 0.012 0.000 2.307 229 V HA -0.231 3.889 4.120 0.000 0.000 0.245 229 V C 2.365 178.462 176.094 0.006 0.000 1.045 229 V CA 1.522 63.828 62.300 0.010 0.000 1.024 229 V CB -0.494 31.333 31.823 0.008 0.000 0.651 229 V HN 0.688 nan 8.190 nan 0.000 0.449 230 R N 0.347 120.850 120.500 0.005 0.000 2.159 230 R HA -0.291 4.049 4.340 0.000 0.000 0.249 230 R C 2.269 178.571 176.300 0.003 0.000 1.136 230 R CA 2.404 58.506 56.100 0.003 0.000 0.951 230 R CB -0.614 29.689 30.300 0.004 0.000 0.876 230 R HN 0.654 nan 8.270 nan 0.000 0.440 231 E N 0.525 120.729 120.200 0.006 0.000 2.130 231 E HA -0.209 4.141 4.350 0.000 0.000 0.196 231 E C 2.142 178.743 176.600 0.003 0.000 0.998 231 E CA 1.190 57.594 56.400 0.007 0.000 0.806 231 E CB -0.184 29.523 29.700 0.012 0.000 0.738 231 E HN 0.369 nan 8.360 nan 0.000 0.459 232 L N 0.582 121.806 121.223 0.001 0.000 2.023 232 L HA -0.165 4.175 4.340 0.000 0.000 0.205 232 L C 2.495 179.358 176.870 -0.012 0.000 1.073 232 L CA 0.661 55.498 54.840 -0.005 0.000 0.745 232 L CB -0.541 41.518 42.059 0.000 0.000 0.900 232 L HN 0.176 nan 8.230 nan 0.000 0.435 233 L N -0.053 121.165 121.223 -0.009 0.000 2.113 233 L HA -0.308 4.032 4.340 0.000 0.000 0.237 233 L C -0.109 176.748 176.870 -0.021 0.000 1.113 233 L CA 2.248 57.080 54.840 -0.013 0.000 0.837 233 L CB -2.568 39.486 42.059 -0.008 0.000 0.929 233 L HN 0.269 nan 8.230 nan 0.000 0.449 234 P HA -0.236 nan 4.420 nan 0.000 0.217 234 P C 1.752 179.027 177.300 -0.042 0.000 1.162 234 P CA 2.093 65.178 63.100 -0.026 0.000 0.901 234 P CB -0.147 31.542 31.700 -0.018 0.000 0.793 235 I N -0.965 119.577 120.570 -0.046 0.000 2.202 235 I HA -0.206 3.964 4.170 0.000 0.000 0.242 235 I C 2.793 178.862 176.117 -0.080 0.000 1.091 235 I CA 1.128 62.384 61.300 -0.072 0.000 1.368 235 I CB -0.943 37.017 38.000 -0.068 0.000 1.058 235 I HN -0.167 nan 8.210 nan 0.000 0.410 236 L N 0.629 121.819 121.223 -0.055 0.000 2.089 236 L HA -0.264 4.076 4.340 0.000 0.000 0.213 236 L C 2.602 179.441 176.870 -0.051 0.000 1.079 236 L CA 1.644 56.455 54.840 -0.048 0.000 0.758 236 L CB -0.629 41.412 42.059 -0.030 0.000 0.891 236 L HN 0.354 nan 8.230 nan 0.000 0.433 237 E N -0.514 119.657 120.200 -0.049 0.000 2.021 237 E HA -0.206 4.144 4.350 0.000 0.000 0.189 237 E C 2.137 178.696 176.600 -0.067 0.000 0.980 237 E CA 0.771 57.143 56.400 -0.046 0.000 0.803 237 E CB -0.196 29.482 29.700 -0.036 0.000 0.766 237 E HN 0.513 nan 8.360 nan 0.000 0.449 238 Q N 0.537 120.287 119.800 -0.083 0.000 2.182 238 Q HA -0.225 4.115 4.340 0.000 0.000 0.213 238 Q C 2.309 178.211 176.000 -0.164 0.000 1.000 238 Q CA 2.022 57.755 55.803 -0.116 0.000 0.889 238 Q CB -0.251 28.406 28.738 -0.135 0.000 0.932 238 Q HN 0.167 nan 8.270 nan 0.000 0.415 239 V N 0.031 119.838 119.914 -0.179 0.000 2.379 239 V HA -0.120 4.000 4.120 0.000 0.000 0.243 239 V C 2.233 178.276 176.094 -0.085 0.000 1.035 239 V CA 1.252 63.427 62.300 -0.208 0.000 1.035 239 V CB -1.059 30.646 31.823 -0.196 0.000 0.673 239 V HN 0.388 nan 8.190 nan 0.000 0.457 240 A N 0.016 122.801 122.820 -0.058 0.000 1.884 240 A HA -0.381 3.939 4.320 0.000 0.000 0.219 240 A C 2.179 179.753 177.584 -0.018 0.000 1.197 240 A CA 2.609 54.631 52.037 -0.026 0.000 0.637 240 A CB -0.697 18.288 19.000 -0.024 0.000 0.827 240 A HN 0.640 nan 8.150 nan 0.000 0.450 241 Q N -1.329 118.453 119.800 -0.029 0.000 2.124 241 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 241 Q C 2.005 177.998 176.000 -0.010 0.000 0.977 241 Q CA 1.754 57.545 55.803 -0.020 0.000 0.850 241 Q CB -0.370 28.351 28.738 -0.028 0.000 0.901 241 Q HN 0.692 nan 8.270 nan 0.000 0.429 242 T N -0.371 114.170 114.554 -0.021 0.000 3.007 242 T HA -0.014 4.336 4.350 0.000 0.000 0.270 242 T C 1.115 175.852 174.700 0.062 0.000 1.107 242 T CA 0.795 62.904 62.100 0.015 0.000 1.118 242 T CB -0.353 68.504 68.868 -0.020 0.000 0.889 242 T HN 0.627 nan 8.240 nan 0.000 0.506 243 G N 2.253 111.080 108.800 0.045 0.000 2.305 243 G HA2 -0.280 3.680 3.960 0.000 0.000 0.287 243 G HA3 -0.280 3.680 3.960 0.000 0.000 0.287 243 G C -0.123 174.825 174.900 0.080 0.000 1.036 243 G CA 0.241 45.371 45.100 0.051 0.000 0.887 243 G HN 0.477 nan 8.290 nan 0.000 0.505 244 K N -0.349 120.131 120.400 0.133 0.000 2.340 244 K HA 0.493 4.813 4.320 0.000 0.000 0.244 244 K C -2.733 173.954 176.600 0.145 0.000 0.973 244 K CA -2.253 54.132 56.287 0.163 0.000 0.828 244 K CB 2.309 35.007 32.500 0.330 0.000 1.226 244 K HN -0.078 nan 8.250 nan 0.000 0.437 245 P HA 0.073 nan 4.420 nan 0.000 0.271 245 P C -1.204 176.145 177.300 0.083 0.000 1.218 245 P CA -0.393 62.735 63.100 0.047 0.000 0.780 245 P CB 0.459 32.162 31.700 0.005 0.000 0.901 246 L N 4.200 125.445 121.223 0.038 0.000 2.356 246 L HA 0.575 4.915 4.340 0.000 0.000 0.277 246 L C -1.530 175.327 176.870 -0.022 0.000 0.996 246 L CA -0.809 54.057 54.840 0.044 0.000 0.822 246 L CB 1.545 43.615 42.059 0.020 0.000 1.256 246 L HN 0.120 nan 8.230 nan 0.000 0.413 247 L N 6.613 127.841 121.223 0.008 0.000 2.298 247 L HA 0.588 4.928 4.340 0.000 0.000 0.284 247 L C -1.050 175.824 176.870 0.007 0.000 1.013 247 L CA -0.024 54.814 54.840 -0.003 0.000 0.824 247 L CB 0.974 43.048 42.059 0.024 0.000 1.221 247 L HN 0.556 nan 8.230 nan 0.000 0.418 248 I N 6.891 127.453 120.570 -0.013 0.000 2.306 248 I HA 0.304 4.474 4.170 0.000 0.000 0.288 248 I C -0.315 175.828 176.117 0.044 0.000 1.036 248 I CA -0.134 61.169 61.300 0.004 0.000 1.221 248 I CB 0.893 38.883 38.000 -0.017 0.000 1.385 248 I HN 0.528 nan 8.210 nan 0.000 0.472 249 I N 6.845 127.438 120.570 0.039 0.000 2.395 249 I HA 0.437 4.607 4.170 0.000 0.000 0.282 249 I C 0.363 176.484 176.117 0.006 0.000 1.107 249 I CA -0.058 61.268 61.300 0.044 0.000 1.210 249 I CB 0.548 38.562 38.000 0.024 0.000 1.456 249 I HN 0.557 nan 8.210 nan 0.000 0.504 250 A N 3.736 126.572 122.820 0.026 0.000 2.350 250 A HA 0.397 4.717 4.320 0.000 0.000 0.318 250 A C 1.180 178.780 177.584 0.026 0.000 1.132 250 A CA -0.502 51.545 52.037 0.018 0.000 0.811 250 A CB 1.402 20.418 19.000 0.026 0.000 1.313 250 A HN 0.607 nan 8.150 nan 0.000 0.454 251 E N -0.293 119.920 120.200 0.022 0.000 2.208 251 E HA -0.215 4.135 4.350 0.000 0.000 0.202 251 E C -0.313 176.317 176.600 0.051 0.000 1.014 251 E CA 2.016 58.437 56.400 0.034 0.000 0.819 251 E CB 0.139 29.860 29.700 0.035 0.000 0.735 251 E HN 0.704 nan 8.360 nan 0.000 0.469 252 D N -2.820 117.613 120.400 0.054 0.000 2.798 252 D HA 0.172 4.812 4.640 0.000 0.000 0.265 252 D C -1.969 174.372 176.300 0.069 0.000 1.223 252 D CA -0.441 53.599 54.000 0.067 0.000 0.743 252 D CB 1.483 42.320 40.800 0.061 0.000 1.276 252 D HN -0.177 nan 8.370 nan 0.000 0.421 253 V N 2.264 122.229 119.914 0.086 0.000 2.445 253 V HA 0.454 4.574 4.120 0.000 0.000 0.283 253 V C -0.561 175.586 176.094 0.088 0.000 1.014 253 V CA -0.618 61.736 62.300 0.091 0.000 0.852 253 V CB 1.199 33.097 31.823 0.124 0.000 1.021 253 V HN 0.553 nan 8.190 nan 0.000 0.435 254 E N 3.119 123.358 120.200 0.065 0.000 2.359 254 E HA 0.871 5.221 4.350 0.000 0.000 0.266 254 E C 0.496 177.121 176.600 0.041 0.000 0.920 254 E CA -0.323 56.109 56.400 0.053 0.000 0.788 254 E CB 2.430 32.156 29.700 0.043 0.000 1.279 254 E HN 0.905 nan 8.360 nan 0.000 0.438 255 G N 1.858 110.676 108.800 0.031 0.000 2.547 255 G HA2 -0.437 3.523 3.960 0.000 0.000 0.271 255 G HA3 -0.437 3.523 3.960 0.000 0.000 0.271 255 G C 0.734 175.646 174.900 0.019 0.000 1.209 255 G CA 0.581 45.693 45.100 0.021 0.000 0.959 255 G HN 0.861 nan 8.290 nan 0.000 0.563 256 E N 0.575 120.784 120.200 0.014 0.000 2.204 256 E HA 0.175 4.525 4.350 0.000 0.000 0.194 256 E C 2.691 179.303 176.600 0.021 0.000 0.989 256 E CA 1.710 58.116 56.400 0.011 0.000 0.824 256 E CB -0.305 29.398 29.700 0.006 0.000 0.756 256 E HN 1.110 nan 8.360 nan 0.000 0.477 257 A N 1.890 124.727 122.820 0.029 0.000 1.908 257 A HA -0.169 4.151 4.320 0.000 0.000 0.218 257 A C 2.237 179.857 177.584 0.060 0.000 1.181 257 A CA 1.538 53.597 52.037 0.037 0.000 0.627 257 A CB -0.605 18.418 19.000 0.039 0.000 0.818 257 A HN 0.323 nan 8.150 nan 0.000 0.445 258 L N -0.400 120.867 121.223 0.073 0.000 2.023 258 L HA 0.064 4.404 4.340 0.000 0.000 0.205 258 L C 2.658 179.582 176.870 0.091 0.000 1.073 258 L CA 2.286 57.197 54.840 0.118 0.000 0.745 258 L CB -1.000 41.118 42.059 0.099 0.000 0.900 258 L HN 0.320 nan 8.230 nan 0.000 0.435 259 A N -1.104 121.732 122.820 0.027 0.000 1.958 259 A HA -0.275 4.045 4.320 0.000 0.000 0.221 259 A C 2.250 179.831 177.584 -0.005 0.000 1.178 259 A CA 2.635 54.660 52.037 -0.020 0.000 0.642 259 A CB -1.427 17.556 19.000 -0.028 0.000 0.816 259 A HN 0.589 nan 8.150 nan 0.000 0.453 260 T N 0.404 114.970 114.554 0.021 0.000 2.643 260 T HA -0.119 4.231 4.350 0.000 0.000 0.264 260 T C 1.832 176.562 174.700 0.049 0.000 1.045 260 T CA 1.561 63.674 62.100 0.021 0.000 1.155 260 T CB -0.496 68.384 68.868 0.019 0.000 0.863 260 T HN 0.373 nan 8.240 nan 0.000 0.420 261 L N 0.778 122.057 121.223 0.092 0.000 1.997 261 L HA -0.176 4.164 4.340 0.000 0.000 0.216 261 L C 2.679 179.708 176.870 0.264 0.000 1.074 261 L CA 1.248 56.173 54.840 0.142 0.000 0.763 261 L CB -1.066 41.108 42.059 0.191 0.000 0.890 261 L HN 0.131 nan 8.230 nan 0.000 0.434 262 V N -0.719 119.368 119.914 0.287 0.000 2.214 262 V HA -0.308 3.812 4.120 0.000 0.000 0.245 262 V C 2.398 178.503 176.094 0.018 0.000 1.047 262 V CA 2.025 64.406 62.300 0.135 0.000 0.998 262 V CB -0.606 31.078 31.823 -0.233 0.000 0.633 262 V HN 0.220 nan 8.190 nan 0.000 0.446 263 V N 0.717 120.596 119.914 -0.059 0.000 2.231 263 V HA -0.352 3.768 4.120 0.000 0.000 0.250 263 V C 2.302 178.397 176.094 0.002 0.000 1.058 263 V CA 2.556 64.823 62.300 -0.054 0.000 1.022 263 V CB -1.032 30.761 31.823 -0.050 0.000 0.640 263 V HN 0.593 nan 8.190 nan 0.000 0.445 264 N N 0.014 118.727 118.700 0.021 0.000 2.166 264 N HA -0.209 4.531 4.740 0.000 0.000 0.186 264 N C 1.898 177.434 175.510 0.044 0.000 1.019 264 N CA 1.622 54.688 53.050 0.026 0.000 0.856 264 N CB -0.258 38.241 38.487 0.020 0.000 0.993 264 N HN 0.458 nan 8.380 nan 0.000 0.426 265 K N 1.754 122.203 120.400 0.083 0.000 2.063 265 K HA -0.033 4.287 4.320 0.000 0.000 0.208 265 K C 2.046 178.702 176.600 0.093 0.000 1.048 265 K CA 0.952 57.305 56.287 0.110 0.000 0.928 265 K CB -0.442 32.204 32.500 0.244 0.000 0.713 265 K HN 0.118 nan 8.250 nan 0.000 0.442 266 L N 0.156 121.431 121.223 0.086 0.000 1.988 266 L HA -0.065 4.275 4.340 0.000 0.000 0.207 266 L C 1.926 178.822 176.870 0.044 0.000 1.071 266 L CA 1.283 56.166 54.840 0.070 0.000 0.744 266 L CB -0.348 41.743 42.059 0.054 0.000 0.893 266 L HN 0.062 nan 8.230 nan 0.000 0.433 267 R N 0.975 121.492 120.500 0.028 0.000 3.441 267 R HA 0.039 4.379 4.340 0.000 0.000 0.225 267 R C 1.059 177.371 176.300 0.020 0.000 1.756 267 R CA 0.477 56.588 56.100 0.019 0.000 1.504 267 R CB -0.847 29.459 30.300 0.010 0.000 1.183 267 R HN 0.500 nan 8.270 nan 0.000 0.567 268 G N 0.419 109.235 108.800 0.026 0.000 2.352 268 G HA2 -0.373 3.587 3.960 0.000 0.000 0.295 268 G HA3 -0.373 3.587 3.960 0.000 0.000 0.295 268 G C 0.879 175.789 174.900 0.018 0.000 0.991 268 G CA 1.257 46.371 45.100 0.023 0.000 0.796 268 G HN 0.389 nan 8.290 nan 0.000 0.511 269 T N -1.219 113.345 114.554 0.017 0.000 2.732 269 T HA 0.232 4.582 4.350 0.000 0.000 0.261 269 T C 0.659 175.365 174.700 0.010 0.000 1.040 269 T CA 1.513 63.619 62.100 0.011 0.000 1.145 269 T CB 0.064 68.937 68.868 0.008 0.000 0.866 269 T HN 0.595 nan 8.240 nan 0.000 0.427 270 L N 0.710 121.940 121.223 0.012 0.000 2.505 270 L HA 0.474 4.814 4.340 0.000 0.000 0.259 270 L C -0.980 175.895 176.870 0.007 0.000 0.952 270 L CA -0.773 54.072 54.840 0.008 0.000 0.840 270 L CB 2.008 44.065 42.059 -0.003 0.000 1.358 270 L HN 0.080 nan 8.230 nan 0.000 0.409 271 S N 3.872 119.576 115.700 0.007 0.000 2.399 271 S HA 0.715 5.185 4.470 0.000 0.000 0.301 271 S C -0.154 174.418 174.600 -0.046 0.000 1.093 271 S CA -0.104 58.095 58.200 -0.002 0.000 1.077 271 S CB 0.251 63.457 63.200 0.010 0.000 0.980 271 S HN 0.948 nan 8.310 nan 0.000 0.494 272 V N -0.156 119.687 119.914 -0.119 0.000 3.181 272 V HA 1.064 5.184 4.120 0.000 0.000 0.314 272 V C -0.140 175.622 176.094 -0.554 0.000 1.173 272 V CA -0.985 61.150 62.300 -0.275 0.000 1.052 272 V CB 1.088 32.723 31.823 -0.313 0.000 1.123 272 V HN 1.423 nan 8.190 nan 0.000 0.454 273 A N 0.343 122.744 122.820 -0.698 0.000 2.511 273 A HA 0.853 5.173 4.320 0.000 0.000 0.292 273 A C -0.548 176.790 177.584 -0.409 0.000 1.045 273 A CA 0.064 51.646 52.037 -0.758 0.000 0.870 273 A CB 0.768 19.667 19.000 -0.169 0.000 1.361 273 A HN 2.323 nan 8.150 nan 0.000 0.396 274 A N 2.104 124.766 122.820 -0.262 0.000 2.258 274 A HA 0.680 5.000 4.320 0.000 0.000 0.316 274 A C -0.489 177.257 177.584 0.270 0.000 1.279 274 A CA -0.400 51.705 52.037 0.113 0.000 0.876 274 A CB 0.494 19.635 19.000 0.235 0.000 1.170 274 A HN 1.387 nan 8.150 nan 0.000 0.520 275 V N 4.040 124.080 119.914 0.211 0.000 2.459 275 V HA 0.241 4.361 4.120 0.000 0.000 0.295 275 V C 0.436 176.660 176.094 0.216 0.000 1.029 275 V CA -0.834 61.617 62.300 0.252 0.000 0.874 275 V CB 1.521 33.533 31.823 0.314 0.000 0.985 275 V HN 0.979 nan 8.190 nan 0.000 0.438 276 K N 2.338 122.855 120.400 0.195 0.000 2.285 276 K HA 0.389 4.709 4.320 0.000 0.000 0.255 276 K C 0.630 177.286 176.600 0.094 0.000 1.000 276 K CA 0.092 56.460 56.287 0.134 0.000 0.887 276 K CB 0.285 32.854 32.500 0.115 0.000 0.997 276 K HN 0.867 nan 8.250 nan 0.000 0.510 277 A N 2.776 125.620 122.820 0.040 0.000 2.567 277 A HA 0.010 4.330 4.320 0.000 0.000 0.240 277 A C -1.183 176.341 177.584 -0.101 0.000 1.053 277 A CA -0.874 51.142 52.037 -0.034 0.000 0.755 277 A CB -0.305 18.702 19.000 0.011 0.000 0.978 277 A HN 0.557 nan 8.150 nan 0.000 0.507 278 P HA -0.142 nan 4.420 nan 0.000 0.214 278 P C 1.122 178.356 177.300 -0.109 0.000 1.163 278 P CA 2.129 64.914 63.100 -0.525 0.000 0.889 278 P CB 0.094 31.336 31.700 -0.763 0.000 0.790 279 G N -1.382 107.392 108.800 -0.042 0.000 3.134 279 G HA2 0.486 4.446 3.960 0.000 0.000 0.158 279 G HA3 0.486 4.446 3.960 0.000 0.000 0.158 279 G C -1.293 173.718 174.900 0.185 0.000 1.334 279 G CA -0.232 44.908 45.100 0.067 0.000 1.001 279 G HN 0.230 nan 8.290 nan 0.000 0.600 280 F N -0.351 119.597 119.950 -0.004 0.000 2.622 280 F HA 0.547 5.074 4.527 -0.000 0.000 0.318 280 F C 0.347 176.155 175.800 0.012 0.000 1.135 280 F CA 0.295 58.300 58.000 0.009 0.000 1.015 280 F CB 1.117 40.131 39.000 0.024 0.000 1.275 280 F HN 1.637 nan 8.300 nan 0.000 0.457 281 G N 5.467 113.966 108.800 -0.502 0.000 2.642 281 G HA2 -0.251 3.709 3.960 0.000 0.000 0.231 281 G HA3 -0.251 3.709 3.960 0.000 0.000 0.231 281 G C 0.263 175.033 174.900 -0.217 0.000 1.338 281 G CA 0.001 44.787 45.100 -0.523 0.000 0.883 281 G HN 0.715 nan 8.290 nan 0.000 0.570 282 D N 0.008 120.302 120.400 -0.177 0.000 2.354 282 D HA -0.087 4.553 4.640 0.000 0.000 0.216 282 D C 2.211 178.467 176.300 -0.074 0.000 0.970 282 D CA 1.103 55.045 54.000 -0.097 0.000 0.905 282 D CB -0.027 40.727 40.800 -0.078 0.000 0.903 282 D HN 0.490 nan 8.370 nan 0.000 0.508 283 R N 1.176 121.624 120.500 -0.087 0.000 2.092 283 R HA -0.101 4.239 4.340 0.000 0.000 0.231 283 R C 2.395 178.677 176.300 -0.030 0.000 1.119 283 R CA 0.950 57.022 56.100 -0.048 0.000 0.970 283 R CB 0.131 30.409 30.300 -0.036 0.000 0.864 283 R HN 0.194 nan 8.270 nan 0.000 0.440 284 R N 0.131 120.613 120.500 -0.029 0.000 2.119 284 R HA -0.017 4.323 4.340 0.000 0.000 0.222 284 R C 1.705 177.981 176.300 -0.039 0.000 1.088 284 R CA 1.066 57.149 56.100 -0.028 0.000 0.984 284 R CB -0.269 30.025 30.300 -0.009 0.000 0.884 284 R HN 0.073 nan 8.270 nan 0.000 0.447 285 K N 0.514 120.891 120.400 -0.037 0.000 2.211 285 K HA -0.093 4.227 4.320 0.000 0.000 0.204 285 K C 1.713 178.295 176.600 -0.030 0.000 1.047 285 K CA 1.304 57.571 56.287 -0.033 0.000 0.935 285 K CB 0.092 32.573 32.500 -0.031 0.000 0.728 285 K HN 0.277 nan 8.250 nan 0.000 0.452 286 E N 0.193 120.377 120.200 -0.027 0.000 2.190 286 E HA 0.006 4.356 4.350 0.000 0.000 0.191 286 E C 1.903 178.495 176.600 -0.013 0.000 0.978 286 E CA 0.743 57.132 56.400 -0.018 0.000 0.839 286 E CB 0.087 29.777 29.700 -0.015 0.000 0.787 286 E HN 0.359 nan 8.360 nan 0.000 0.473 287 M N 0.272 119.863 119.600 -0.014 0.000 2.288 287 M HA -0.009 4.471 4.480 0.000 0.000 0.266 287 M C 2.254 178.521 176.300 -0.055 0.000 1.072 287 M CA 0.827 56.129 55.300 0.004 0.000 1.132 287 M CB -0.192 32.418 32.600 0.016 0.000 1.386 287 M HN 0.035 nan 8.290 nan 0.000 0.432 288 L N 0.138 121.313 121.223 -0.080 0.000 2.131 288 L HA -0.212 4.128 4.340 0.000 0.000 0.210 288 L C 2.246 179.059 176.870 -0.096 0.000 1.092 288 L CA 1.254 56.029 54.840 -0.108 0.000 0.759 288 L CB -0.603 41.406 42.059 -0.082 0.000 0.903 288 L HN 0.292 nan 8.230 nan 0.000 0.435 289 K N -0.313 120.050 120.400 -0.061 0.000 2.217 289 K HA -0.103 4.217 4.320 0.000 0.000 0.202 289 K C 1.395 177.962 176.600 -0.054 0.000 1.051 289 K CA 1.025 57.284 56.287 -0.047 0.000 0.952 289 K CB -0.035 32.451 32.500 -0.023 0.000 0.736 289 K HN 0.247 nan 8.250 nan 0.000 0.453 290 D N 1.243 121.610 120.400 -0.054 0.000 2.085 290 D HA -0.060 4.580 4.640 0.000 0.000 0.199 290 D C 1.795 177.988 176.300 -0.179 0.000 0.981 290 D CA 0.919 54.894 54.000 -0.041 0.000 0.834 290 D CB -0.131 40.713 40.800 0.074 0.000 0.992 290 D HN 0.026 nan 8.370 nan 0.000 0.457 291 I N 1.099 121.464 120.570 -0.341 0.000 2.194 291 I HA -0.329 3.841 4.170 0.000 0.000 0.246 291 I C 2.286 178.245 176.117 -0.262 0.000 1.093 291 I CA 1.080 62.075 61.300 -0.508 0.000 1.355 291 I CB -0.359 37.387 38.000 -0.423 0.000 1.046 291 I HN -0.025 nan 8.210 nan 0.000 0.413 292 A N 1.010 123.728 122.820 -0.170 0.000 1.827 292 A HA -0.208 4.112 4.320 0.000 0.000 0.215 292 A C 2.604 180.134 177.584 -0.091 0.000 1.212 292 A CA 2.224 54.194 52.037 -0.112 0.000 0.624 292 A CB -1.369 17.580 19.000 -0.085 0.000 0.853 292 A HN 0.406 nan 8.150 nan 0.000 0.450 293 A N -0.555 122.225 122.820 -0.067 0.000 1.899 293 A HA -0.307 4.013 4.320 0.000 0.000 0.230 293 A C 2.460 180.020 177.584 -0.038 0.000 1.593 293 A CA 4.228 56.241 52.037 -0.040 0.000 0.728 293 A CB -1.928 17.059 19.000 -0.021 0.000 0.848 293 A HN 1.528 nan 8.150 nan 0.000 0.490 294 V N -2.028 117.854 119.914 -0.054 0.000 2.343 294 V HA -0.202 3.918 4.120 0.000 0.000 0.247 294 V C 2.437 178.505 176.094 -0.042 0.000 1.051 294 V CA 2.939 65.218 62.300 -0.035 0.000 1.036 294 V CB -2.079 29.726 31.823 -0.031 0.000 0.654 294 V HN 0.863 nan 8.190 nan 0.000 0.451 295 T N -2.567 111.944 114.554 -0.072 0.000 2.978 295 T HA 0.360 4.710 4.350 0.000 0.000 0.262 295 T C 1.692 176.366 174.700 -0.044 0.000 1.063 295 T CA 1.056 63.121 62.100 -0.058 0.000 1.140 295 T CB -0.040 68.786 68.868 -0.070 0.000 0.886 295 T HN 1.872 nan 8.240 nan 0.000 0.470 296 G N 0.504 109.278 108.800 -0.044 0.000 2.215 296 G HA2 0.184 4.144 3.960 0.000 0.000 0.198 296 G HA3 0.184 4.144 3.960 0.000 0.000 0.198 296 G C 0.208 175.086 174.900 -0.036 0.000 1.047 296 G CA -0.243 44.837 45.100 -0.032 0.000 0.747 296 G HN 0.986 nan 8.290 nan 0.000 0.495 297 G N -1.574 107.192 108.800 -0.056 0.000 3.075 297 G HA2 0.774 4.734 3.960 0.000 0.000 0.253 297 G HA3 0.774 4.734 3.960 0.000 0.000 0.253 297 G C -0.611 174.221 174.900 -0.115 0.000 1.353 297 G CA 0.094 45.148 45.100 -0.076 0.000 1.051 297 G HN 0.595 nan 8.290 nan 0.000 0.553 298 T N 0.397 114.840 114.554 -0.185 0.000 2.792 298 T HA 0.398 4.748 4.350 0.000 0.000 0.280 298 T C 0.002 174.572 174.700 -0.217 0.000 0.990 298 T CA -0.202 61.744 62.100 -0.257 0.000 0.960 298 T CB 1.379 69.901 68.868 -0.575 0.000 0.939 298 T HN 0.367 nan 8.240 nan 0.000 0.439 299 V N 5.927 125.769 119.914 -0.120 0.000 2.434 299 V HA 0.099 4.219 4.120 0.000 0.000 0.281 299 V C 0.754 176.822 176.094 -0.044 0.000 1.005 299 V CA 0.091 62.351 62.300 -0.067 0.000 1.089 299 V CB -0.611 31.198 31.823 -0.023 0.000 0.978 299 V HN 0.770 nan 8.190 nan 0.000 0.474 300 I N 6.447 126.987 120.570 -0.051 0.000 2.357 300 I HA 0.218 4.388 4.170 0.000 0.000 0.300 300 I C 0.628 176.772 176.117 0.045 0.000 1.159 300 I CA 0.604 61.905 61.300 0.002 0.000 1.339 300 I CB -0.332 37.657 38.000 -0.019 0.000 1.458 300 I HN 0.872 nan 8.210 nan 0.000 0.577 301 S N 2.451 118.205 115.700 0.089 0.000 2.625 301 S HA 0.341 4.811 4.470 0.000 0.000 0.271 301 S C 0.391 175.040 174.600 0.082 0.000 1.161 301 S CA -0.974 57.266 58.200 0.067 0.000 0.820 301 S CB 1.646 64.870 63.200 0.041 0.000 1.137 301 S HN 0.502 nan 8.310 nan 0.000 0.470 302 E N 0.589 120.817 120.200 0.047 0.000 2.333 302 E HA -0.140 4.210 4.350 0.000 0.000 0.198 302 E C 1.279 177.893 176.600 0.024 0.000 1.007 302 E CA 1.174 57.592 56.400 0.030 0.000 0.845 302 E CB -0.097 29.612 29.700 0.014 0.000 0.766 302 E HN 0.663 nan 8.360 nan 0.000 0.507 303 E N 1.009 121.231 120.200 0.037 0.000 2.001 303 E HA -0.130 4.220 4.350 0.000 0.000 0.193 303 E C 2.104 178.732 176.600 0.047 0.000 0.994 303 E CA 0.703 57.122 56.400 0.032 0.000 0.815 303 E CB -0.175 29.544 29.700 0.032 0.000 0.770 303 E HN 0.194 nan 8.360 nan 0.000 0.453 304 L N 0.238 121.528 121.223 0.112 0.000 2.450 304 L HA -0.110 4.230 4.340 0.000 0.000 0.225 304 L C 1.062 177.960 176.870 0.048 0.000 1.145 304 L CA 0.791 55.749 54.840 0.197 0.000 0.801 304 L CB -0.734 41.571 42.059 0.409 0.000 0.924 304 L HN 0.490 nan 8.230 nan 0.000 0.447 305 G N -0.322 108.459 108.800 -0.033 0.000 2.248 305 G HA2 -0.284 3.676 3.960 0.000 0.000 0.263 305 G HA3 -0.284 3.676 3.960 0.000 0.000 0.263 305 G C -0.283 174.321 174.900 -0.493 0.000 1.082 305 G CA -0.296 44.660 45.100 -0.241 0.000 0.863 305 G HN 0.206 nan 8.290 nan 0.000 0.495 306 F N -0.867 119.078 119.950 -0.008 0.000 2.593 306 F HA 0.798 5.325 4.527 -0.000 0.000 0.320 306 F C 0.338 176.133 175.800 -0.008 0.000 1.060 306 F CA -1.058 56.937 58.000 -0.009 0.000 0.940 306 F CB 2.344 41.339 39.000 -0.010 0.000 1.268 306 F HN 0.064 nan 8.300 nan 0.000 0.475 307 K N 1.509 122.028 120.400 0.199 0.000 2.443 307 K HA 0.424 4.744 4.320 0.000 0.000 0.252 307 K C 0.257 176.913 176.600 0.093 0.000 0.933 307 K CA -0.680 55.669 56.287 0.104 0.000 0.792 307 K CB 1.823 34.356 32.500 0.055 0.000 1.185 307 K HN 0.539 nan 8.250 nan 0.000 0.425 308 L N 4.206 125.465 121.223 0.060 0.000 2.012 308 L HA -0.330 4.010 4.340 0.000 0.000 0.236 308 L C 2.071 178.957 176.870 0.027 0.000 1.099 308 L CA 2.586 57.447 54.840 0.035 0.000 0.821 308 L CB -0.632 41.441 42.059 0.023 0.000 0.918 308 L HN 0.942 nan 8.230 nan 0.000 0.445 309 E N -1.055 119.159 120.200 0.023 0.000 2.114 309 E HA -0.266 4.084 4.350 0.000 0.000 0.199 309 E C 0.580 177.192 176.600 0.020 0.000 1.008 309 E CA 1.519 57.928 56.400 0.015 0.000 0.810 309 E CB -1.013 28.694 29.700 0.012 0.000 0.739 309 E HN 0.618 nan 8.360 nan 0.000 0.456 310 N N 1.985 120.709 118.700 0.040 0.000 3.210 310 N HA 0.200 4.940 4.740 0.000 0.000 0.314 310 N C -0.291 175.268 175.510 0.081 0.000 1.291 310 N CA 0.513 53.597 53.050 0.056 0.000 1.202 310 N CB 0.454 38.982 38.487 0.068 0.000 1.475 310 N HN 0.286 nan 8.380 nan 0.000 0.554 311 A N -0.037 122.803 122.820 0.034 0.000 2.378 311 A HA 0.840 5.160 4.320 0.000 0.000 0.293 311 A C 0.384 177.961 177.584 -0.011 0.000 1.250 311 A CA -0.160 51.879 52.037 0.004 0.000 0.915 311 A CB 0.866 19.847 19.000 -0.032 0.000 1.402 311 A HN 0.232 nan 8.150 nan 0.000 0.502 312 T N -0.644 113.879 114.554 -0.052 0.000 2.886 312 T HA 0.312 4.662 4.350 0.000 0.000 0.330 312 T C 0.418 175.052 174.700 -0.110 0.000 1.488 312 T CA -0.628 61.435 62.100 -0.061 0.000 1.054 312 T CB 0.902 69.755 68.868 -0.023 0.000 1.348 312 T HN 0.418 nan 8.240 nan 0.000 0.489 313 L N 0.735 121.872 121.223 -0.143 0.000 2.551 313 L HA 0.044 4.384 4.340 0.000 0.000 0.228 313 L C 1.908 178.715 176.870 -0.105 0.000 1.153 313 L CA 0.767 55.461 54.840 -0.244 0.000 0.851 313 L CB -0.231 41.647 42.059 -0.302 0.000 0.959 313 L HN 0.577 nan 8.230 nan 0.000 0.451 314 S N -0.985 114.684 115.700 -0.052 0.000 2.502 314 S HA 0.150 4.620 4.470 0.000 0.000 0.215 314 S C 1.566 176.152 174.600 -0.023 0.000 1.009 314 S CA 0.126 58.322 58.200 -0.006 0.000 0.908 314 S CB 0.278 63.480 63.200 0.003 0.000 0.801 314 S HN 0.232 nan 8.310 nan 0.000 0.505 315 M N 1.857 121.415 119.600 -0.071 0.000 2.563 315 M HA 0.324 4.804 4.480 0.000 0.000 0.231 315 M C -0.352 175.852 176.300 -0.161 0.000 1.136 315 M CA 0.153 55.358 55.300 -0.159 0.000 1.026 315 M CB -1.363 31.071 32.600 -0.276 0.000 1.597 315 M HN 0.199 nan 8.290 nan 0.000 0.495 316 L N -2.808 118.377 121.223 -0.064 0.000 2.256 316 L HA 1.026 5.366 4.340 0.000 0.000 0.261 316 L C 0.389 177.281 176.870 0.036 0.000 1.022 316 L CA -1.192 53.633 54.840 -0.025 0.000 0.828 316 L CB -0.229 41.837 42.059 0.011 0.000 1.374 316 L HN -0.019 nan 8.230 nan 0.000 0.436 317 G N -0.585 108.229 108.800 0.024 0.000 2.502 317 G HA2 0.777 4.737 3.960 0.000 0.000 0.305 317 G HA3 0.777 4.737 3.960 0.000 0.000 0.305 317 G C -0.598 174.310 174.900 0.013 0.000 1.190 317 G CA -0.773 44.333 45.100 0.009 0.000 0.933 317 G HN 0.637 nan 8.290 nan 0.000 0.503 318 R N -1.388 119.076 120.500 -0.060 0.000 2.947 318 R HA 0.804 5.144 4.340 0.000 0.000 0.253 318 R C -0.372 175.854 176.300 -0.122 0.000 1.208 318 R CA -0.403 55.596 56.100 -0.168 0.000 1.012 318 R CB 2.027 32.163 30.300 -0.272 0.000 1.267 318 R HN 0.807 nan 8.270 nan 0.000 0.473 319 A N 0.088 122.819 122.820 -0.148 0.000 2.791 319 A HA 0.422 4.742 4.320 0.000 0.000 0.309 319 A C -0.882 176.644 177.584 -0.097 0.000 1.200 319 A CA -0.551 51.431 52.037 -0.092 0.000 0.635 319 A CB 0.980 19.945 19.000 -0.059 0.000 1.393 319 A HN 0.720 nan 8.150 nan 0.000 0.557 320 E N -0.781 119.381 120.200 -0.064 0.000 2.541 320 E HA 0.325 4.675 4.350 0.000 0.000 0.219 320 E C 0.136 176.709 176.600 -0.045 0.000 0.922 320 E CA 0.076 56.443 56.400 -0.056 0.000 1.095 320 E CB 1.113 30.790 29.700 -0.038 0.000 1.112 320 E HN 0.437 nan 8.360 nan 0.000 0.516 321 R N -0.342 120.135 120.500 -0.039 0.000 3.062 321 R HA 0.283 4.623 4.340 0.000 0.000 0.279 321 R C -2.204 174.086 176.300 -0.016 0.000 1.003 321 R CA -0.390 55.694 56.100 -0.026 0.000 0.872 321 R CB 1.387 31.677 30.300 -0.017 0.000 1.280 321 R HN -0.095 nan 8.270 nan 0.000 0.516 322 V N 3.509 123.418 119.914 -0.008 0.000 2.555 322 V HA 0.405 4.525 4.120 0.000 0.000 0.283 322 V C -0.749 175.350 176.094 0.008 0.000 1.020 322 V CA -0.709 61.592 62.300 0.001 0.000 0.883 322 V CB 1.587 33.412 31.823 0.004 0.000 1.030 322 V HN 0.626 nan 8.190 nan 0.000 0.448 323 R N 5.301 125.801 120.500 0.000 0.000 2.308 323 R HA 0.742 5.082 4.340 0.000 0.000 0.305 323 R C -0.863 175.437 176.300 -0.000 0.000 1.053 323 R CA -0.355 55.749 56.100 0.006 0.000 0.957 323 R CB 1.500 31.797 30.300 -0.006 0.000 1.022 323 R HN 0.583 nan 8.270 nan 0.000 0.461 324 I N 2.523 123.125 120.570 0.054 0.000 2.560 324 I HA 0.150 4.320 4.170 0.000 0.000 0.278 324 I C -0.087 176.110 176.117 0.135 0.000 1.089 324 I CA -0.464 60.880 61.300 0.072 0.000 1.086 324 I CB 1.883 39.987 38.000 0.172 0.000 1.202 324 I HN 0.594 nan 8.210 nan 0.000 0.471 325 T N 2.963 117.505 114.554 -0.021 0.000 2.833 325 T HA 0.112 4.462 4.350 0.000 0.000 0.312 325 T C 1.396 175.815 174.700 -0.469 0.000 1.085 325 T CA -0.536 61.526 62.100 -0.063 0.000 0.955 325 T CB 1.080 69.905 68.868 -0.072 0.000 1.353 325 T HN 0.464 nan 8.240 nan 0.000 0.544 326 K N 1.238 121.358 120.400 -0.468 0.000 2.147 326 K HA -0.126 4.194 4.320 0.000 0.000 0.205 326 K C 0.708 177.030 176.600 -0.463 0.000 1.049 326 K CA 1.688 57.564 56.287 -0.685 0.000 0.936 326 K CB -0.267 32.075 32.500 -0.262 0.000 0.722 326 K HN 0.773 nan 8.250 nan 0.000 0.446 327 D N -1.110 119.124 120.400 -0.276 0.000 2.692 327 D HA 0.095 4.735 4.640 0.000 0.000 0.290 327 D C -0.549 175.666 176.300 -0.142 0.000 1.455 327 D CA -0.293 53.603 54.000 -0.174 0.000 0.796 327 D CB 0.224 40.957 40.800 -0.111 0.000 1.131 327 D HN 0.159 nan 8.370 nan 0.000 0.467 328 E N -0.181 119.909 120.200 -0.184 0.000 2.363 328 E HA 0.364 4.714 4.350 0.000 0.000 0.281 328 E C -1.551 174.883 176.600 -0.276 0.000 0.953 328 E CA -0.367 55.908 56.400 -0.209 0.000 0.778 328 E CB 2.107 31.713 29.700 -0.156 0.000 1.220 328 E HN -0.097 nan 8.360 nan 0.000 0.431 329 T N 1.627 115.883 114.554 -0.497 0.000 2.887 329 T HA 0.527 4.877 4.350 0.000 0.000 0.288 329 T C -0.982 173.475 174.700 -0.405 0.000 1.021 329 T CA -0.511 61.284 62.100 -0.509 0.000 1.000 329 T CB 1.702 70.059 68.868 -0.853 0.000 1.034 329 T HN 0.345 nan 8.240 nan 0.000 0.467 330 T N 2.891 117.333 114.554 -0.187 0.000 3.077 330 T HA 0.359 4.709 4.350 0.000 0.000 0.359 330 T C 0.176 174.874 174.700 -0.003 0.000 1.108 330 T CA -0.462 61.591 62.100 -0.078 0.000 1.170 330 T CB -0.122 68.712 68.868 -0.057 0.000 1.045 330 T HN 0.482 nan 8.240 nan 0.000 0.505 331 I N 3.346 123.957 120.570 0.068 0.000 2.357 331 I HA 0.118 4.288 4.170 0.000 0.000 0.300 331 I C 0.381 176.540 176.117 0.071 0.000 1.159 331 I CA -0.203 61.145 61.300 0.080 0.000 1.339 331 I CB 0.092 38.164 38.000 0.120 0.000 1.458 331 I HN 0.243 nan 8.210 nan 0.000 0.577 332 V N 5.343 125.277 119.914 0.032 0.000 2.649 332 V HA 0.314 4.434 4.120 0.000 0.000 0.292 332 V C 1.181 177.281 176.094 0.011 0.000 1.055 332 V CA -0.149 62.165 62.300 0.023 0.000 1.023 332 V CB 1.229 33.056 31.823 0.008 0.000 0.992 332 V HN 1.011 nan 8.190 nan 0.000 0.480 333 G N 3.752 112.560 108.800 0.012 0.000 2.372 333 G HA2 -0.134 3.826 3.960 0.000 0.000 0.297 333 G HA3 -0.134 3.826 3.960 0.000 0.000 0.297 333 G C 0.544 175.438 174.900 -0.010 0.000 1.005 333 G CA 0.075 45.175 45.100 -0.001 0.000 1.173 333 G HN 1.399 nan 8.290 nan 0.000 0.511 334 G N -0.539 108.262 108.800 0.003 0.000 2.664 334 G HA2 0.437 4.397 3.960 0.000 0.000 0.242 334 G HA3 0.437 4.397 3.960 0.000 0.000 0.242 334 G C 0.890 175.778 174.900 -0.021 0.000 1.225 334 G CA -0.072 45.020 45.100 -0.012 0.000 0.849 334 G HN 0.306 nan 8.290 nan 0.000 0.581 335 K N 0.675 121.056 120.400 -0.032 0.000 2.348 335 K HA 0.110 4.430 4.320 0.000 0.000 0.194 335 K C 1.696 178.284 176.600 -0.020 0.000 1.052 335 K CA 0.357 56.626 56.287 -0.029 0.000 1.004 335 K CB -0.043 32.433 32.500 -0.040 0.000 0.873 335 K HN 0.560 nan 8.250 nan 0.000 0.523 336 G N 2.240 111.027 108.800 -0.022 0.000 2.614 336 G HA2 -0.149 3.811 3.960 0.000 0.000 0.229 336 G HA3 -0.149 3.811 3.960 0.000 0.000 0.229 336 G C -0.198 174.697 174.900 -0.008 0.000 1.232 336 G CA 0.013 45.103 45.100 -0.018 0.000 0.857 336 G HN 0.088 nan 8.290 nan 0.000 0.560 337 K N 0.587 120.984 120.400 -0.005 0.000 2.098 337 K HA 0.164 4.484 4.320 0.000 0.000 0.258 337 K C 1.389 177.992 176.600 0.004 0.000 0.973 337 K CA -0.647 55.640 56.287 0.000 0.000 0.898 337 K CB 2.005 34.505 32.500 0.001 0.000 1.057 337 K HN 0.621 nan 8.250 nan 0.000 0.447 338 K N 2.136 122.539 120.400 0.006 0.000 2.023 338 K HA -0.330 3.990 4.320 0.000 0.000 0.227 338 K C 1.250 177.856 176.600 0.009 0.000 1.054 338 K CA 2.540 58.832 56.287 0.009 0.000 0.977 338 K CB -0.037 32.467 32.500 0.008 0.000 0.733 338 K HN 0.590 nan 8.250 nan 0.000 0.451 339 E N 0.298 120.502 120.200 0.008 0.000 2.086 339 E HA -0.256 4.094 4.350 0.000 0.000 0.200 339 E C 2.093 178.698 176.600 0.008 0.000 1.012 339 E CA 1.523 57.928 56.400 0.008 0.000 0.812 339 E CB -0.290 29.414 29.700 0.007 0.000 0.743 339 E HN 0.470 nan 8.360 nan 0.000 0.453 340 D N 0.534 120.938 120.400 0.007 0.000 2.182 340 D HA -0.159 4.481 4.640 0.000 0.000 0.201 340 D C 1.828 178.133 176.300 0.008 0.000 0.986 340 D CA 1.059 55.063 54.000 0.005 0.000 0.847 340 D CB 0.107 40.908 40.800 0.001 0.000 0.942 340 D HN 0.227 nan 8.370 nan 0.000 0.467 341 I N 0.095 120.672 120.570 0.011 0.000 2.628 341 I HA -0.035 4.135 4.170 0.000 0.000 0.255 341 I C 2.184 178.314 176.117 0.021 0.000 1.119 341 I CA 0.109 61.421 61.300 0.019 0.000 1.448 341 I CB -0.261 37.755 38.000 0.026 0.000 1.133 341 I HN -0.144 nan 8.210 nan 0.000 0.438 342 E N 1.985 122.195 120.200 0.017 0.000 2.533 342 E HA -0.128 4.222 4.350 0.000 0.000 0.203 342 E C 1.344 177.952 176.600 0.013 0.000 1.101 342 E CA 0.863 57.272 56.400 0.015 0.000 0.894 342 E CB 0.273 29.980 29.700 0.013 0.000 0.843 342 E HN 0.537 nan 8.360 nan 0.000 0.552 343 A N -0.194 122.634 122.820 0.013 0.000 2.242 343 A HA 0.162 4.482 4.320 0.000 0.000 0.205 343 A C 1.868 179.459 177.584 0.012 0.000 1.353 343 A CA -0.133 51.911 52.037 0.011 0.000 1.005 343 A CB 0.233 19.239 19.000 0.009 0.000 1.127 343 A HN 0.031 nan 8.150 nan 0.000 0.498 344 R N 0.130 120.639 120.500 0.015 0.000 2.127 344 R HA 0.284 4.624 4.340 0.000 0.000 0.217 344 R C 1.485 177.799 176.300 0.023 0.000 1.074 344 R CA 1.420 57.530 56.100 0.017 0.000 0.991 344 R CB -0.378 29.933 30.300 0.018 0.000 0.895 344 R HN 0.520 nan 8.270 nan 0.000 0.450 345 I N -0.125 120.460 120.570 0.025 0.000 3.035 345 I HA -0.029 4.141 4.170 0.000 0.000 0.271 345 I C 1.316 177.443 176.117 0.016 0.000 1.190 345 I CA 0.459 61.775 61.300 0.025 0.000 1.472 345 I CB -0.007 38.012 38.000 0.031 0.000 1.116 345 I HN 0.183 nan 8.210 nan 0.000 0.443 346 N N 1.086 119.794 118.700 0.014 0.000 2.494 346 N HA -0.038 4.702 4.740 0.000 0.000 0.182 346 N C 1.550 177.065 175.510 0.008 0.000 1.076 346 N CA 1.195 54.251 53.050 0.010 0.000 0.908 346 N CB 0.270 38.763 38.487 0.010 0.000 0.967 346 N HN 0.480 nan 8.380 nan 0.000 0.449 347 G N -0.130 108.675 108.800 0.009 0.000 2.656 347 G HA2 0.069 4.029 3.960 0.000 0.000 0.211 347 G HA3 0.069 4.029 3.960 0.000 0.000 0.211 347 G C 1.536 176.439 174.900 0.005 0.000 1.137 347 G CA -0.140 44.964 45.100 0.007 0.000 0.802 347 G HN 0.267 nan 8.290 nan 0.000 0.527 348 I N 0.078 120.652 120.570 0.006 0.000 3.001 348 I HA 0.030 4.200 4.170 0.000 0.000 0.268 348 I C 2.446 178.563 176.117 -0.000 0.000 1.267 348 I CA 0.771 62.072 61.300 0.003 0.000 1.472 348 I CB 0.183 38.186 38.000 0.006 0.000 1.089 348 I HN 0.119 nan 8.210 nan 0.000 0.468 349 K N 0.637 121.038 120.400 0.002 0.000 2.242 349 K HA -0.009 4.311 4.320 0.000 0.000 0.200 349 K C 2.034 178.635 176.600 0.001 0.000 1.050 349 K CA 0.378 56.665 56.287 0.001 0.000 0.981 349 K CB 0.331 32.833 32.500 0.003 0.000 0.795 349 K HN -0.078 nan 8.250 nan 0.000 0.477 350 K N 0.880 121.282 120.400 0.002 0.000 2.211 350 K HA -0.139 4.181 4.320 0.000 0.000 0.203 350 K C 1.705 178.307 176.600 0.002 0.000 1.050 350 K CA 1.173 57.461 56.287 0.003 0.000 0.945 350 K CB 0.167 32.669 32.500 0.003 0.000 0.732 350 K HN 0.359 nan 8.250 nan 0.000 0.451 351 E N 0.391 120.591 120.200 0.001 0.000 2.190 351 E HA -0.077 4.273 4.350 0.000 0.000 0.191 351 E C 1.836 178.436 176.600 0.000 0.000 0.978 351 E CA 0.048 56.449 56.400 0.001 0.000 0.839 351 E CB 0.166 29.866 29.700 -0.001 0.000 0.787 351 E HN -0.020 nan 8.360 nan 0.000 0.473 352 L N 2.201 123.423 121.223 -0.002 0.000 2.083 352 L HA -0.171 4.169 4.340 0.000 0.000 0.209 352 L C 1.982 178.853 176.870 0.000 0.000 1.083 352 L CA 2.006 56.844 54.840 -0.003 0.000 0.752 352 L CB -0.421 41.634 42.059 -0.006 0.000 0.899 352 L HN 0.221 nan 8.230 nan 0.000 0.433 353 E N -2.599 117.602 120.200 0.002 0.000 2.472 353 E HA -0.118 4.232 4.350 0.000 0.000 0.200 353 E C 0.511 177.114 176.600 0.005 0.000 1.046 353 E CA 1.182 57.584 56.400 0.003 0.000 0.871 353 E CB -0.406 29.296 29.700 0.003 0.000 0.806 353 E HN 0.402 nan 8.360 nan 0.000 0.533 354 T N 0.436 114.993 114.554 0.005 0.000 3.228 354 T HA 0.130 4.480 4.350 0.000 0.000 0.278 354 T C -0.408 174.298 174.700 0.009 0.000 1.014 354 T CA -0.270 61.834 62.100 0.007 0.000 0.904 354 T CB 0.832 69.703 68.868 0.006 0.000 1.110 354 T HN -0.007 nan 8.240 nan 0.000 0.541 355 T N 2.248 116.808 114.554 0.010 0.000 2.864 355 T HA 0.248 4.598 4.350 0.000 0.000 0.310 355 T C -0.073 174.637 174.700 0.018 0.000 1.040 355 T CA -0.642 61.467 62.100 0.014 0.000 0.977 355 T CB 1.297 70.171 68.868 0.010 0.000 0.976 355 T HN 0.029 nan 8.240 nan 0.000 0.459 356 D N 1.390 121.804 120.400 0.022 0.000 2.349 356 D HA 0.067 4.707 4.640 0.000 0.000 0.214 356 D C 0.359 176.681 176.300 0.036 0.000 1.063 356 D CA 0.111 54.126 54.000 0.025 0.000 0.847 356 D CB 0.581 41.395 40.800 0.022 0.000 0.933 356 D HN 0.344 nan 8.370 nan 0.000 0.513 357 S N 1.239 116.966 115.700 0.045 0.000 2.481 357 S HA 0.047 4.517 4.470 0.000 0.000 0.276 357 S C 1.295 175.943 174.600 0.081 0.000 1.247 357 S CA -0.266 57.975 58.200 0.068 0.000 1.053 357 S CB 1.459 64.712 63.200 0.087 0.000 0.925 357 S HN 0.123 nan 8.310 nan 0.000 0.491 358 E N 1.413 121.665 120.200 0.086 0.000 2.273 358 E HA -0.230 4.120 4.350 0.000 0.000 0.198 358 E C 0.863 177.539 176.600 0.128 0.000 1.002 358 E CA 1.203 57.656 56.400 0.088 0.000 0.828 358 E CB -0.077 29.674 29.700 0.084 0.000 0.747 358 E HN 0.791 nan 8.360 nan 0.000 0.491 359 Y N 0.659 120.965 120.300 0.011 0.000 2.163 359 Y HA 0.023 4.573 4.550 0.000 0.000 0.288 359 Y C 2.264 178.170 175.900 0.010 0.000 1.112 359 Y CA 1.210 59.317 58.100 0.012 0.000 1.104 359 Y CB -0.576 37.892 38.460 0.013 0.000 1.016 359 Y HN -0.058 nan 8.280 nan 0.000 0.497 360 A N 0.274 123.135 122.820 0.068 0.000 2.186 360 A HA -0.175 4.145 4.320 0.000 0.000 0.219 360 A C 2.240 179.792 177.584 -0.053 0.000 1.159 360 A CA 1.709 53.728 52.037 -0.030 0.000 0.680 360 A CB -0.788 18.240 19.000 0.046 0.000 0.787 360 A HN 0.555 nan 8.150 nan 0.000 0.467 361 R N -0.287 120.197 120.500 -0.027 0.000 2.100 361 R HA -0.015 4.325 4.340 0.000 0.000 0.220 361 R C 1.756 178.026 176.300 -0.050 0.000 1.091 361 R CA 1.317 57.402 56.100 -0.024 0.000 0.986 361 R CB -0.150 30.151 30.300 0.003 0.000 0.888 361 R HN 0.606 nan 8.270 nan 0.000 0.444 362 E N -0.015 120.141 120.200 -0.074 0.000 2.216 362 E HA -0.084 4.266 4.350 0.000 0.000 0.192 362 E C 1.594 178.119 176.600 -0.125 0.000 0.988 362 E CA 0.469 56.819 56.400 -0.084 0.000 0.834 362 E CB 0.269 29.926 29.700 -0.071 0.000 0.772 362 E HN 0.118 nan 8.360 nan 0.000 0.479 363 K N 0.712 120.996 120.400 -0.195 0.000 2.097 363 K HA -0.061 4.259 4.320 0.000 0.000 0.205 363 K C 2.030 178.563 176.600 -0.112 0.000 1.050 363 K CA 0.832 56.999 56.287 -0.201 0.000 0.938 363 K CB -0.137 32.181 32.500 -0.303 0.000 0.718 363 K HN 0.223 nan 8.250 nan 0.000 0.442 364 L N 0.518 121.690 121.223 -0.085 0.000 2.418 364 L HA -0.009 4.331 4.340 0.000 0.000 0.218 364 L C 2.082 178.927 176.870 -0.041 0.000 1.125 364 L CA 0.545 55.355 54.840 -0.050 0.000 0.835 364 L CB -0.182 41.855 42.059 -0.036 0.000 0.953 364 L HN 0.137 nan 8.230 nan 0.000 0.454 365 Q N 0.106 119.876 119.800 -0.049 0.000 2.354 365 Q HA -0.108 4.232 4.340 0.000 0.000 0.203 365 Q C 1.829 177.800 176.000 -0.049 0.000 0.933 365 Q CA 0.746 56.525 55.803 -0.042 0.000 0.901 365 Q CB 0.330 29.044 28.738 -0.039 0.000 1.007 365 Q HN 0.582 nan 8.270 nan 0.000 0.495 366 E N 0.481 120.644 120.200 -0.061 0.000 2.340 366 E HA -0.082 4.268 4.350 0.000 0.000 0.194 366 E C 1.845 178.403 176.600 -0.071 0.000 0.996 366 E CA 0.092 56.451 56.400 -0.068 0.000 0.869 366 E CB 0.094 29.750 29.700 -0.073 0.000 0.835 366 E HN 0.094 nan 8.360 nan 0.000 0.493 367 R N 0.639 121.108 120.500 -0.051 0.000 2.080 367 R HA 0.137 4.477 4.340 0.000 0.000 0.222 367 R C 2.319 178.611 176.300 -0.013 0.000 1.107 367 R CA 0.390 56.474 56.100 -0.027 0.000 0.980 367 R CB -0.059 30.236 30.300 -0.008 0.000 0.879 367 R HN 0.245 nan 8.270 nan 0.000 0.439 368 L N 0.461 121.674 121.223 -0.016 0.000 2.622 368 L HA 0.004 4.344 4.340 0.000 0.000 0.233 368 L C 1.738 178.599 176.870 -0.015 0.000 1.156 368 L CA 0.527 55.364 54.840 -0.005 0.000 0.866 368 L CB -0.010 42.044 42.059 -0.009 0.000 0.980 368 L HN 0.291 nan 8.230 nan 0.000 0.448 369 A N -0.092 122.703 122.820 -0.041 0.000 1.896 369 A HA -0.078 4.242 4.320 0.000 0.000 0.213 369 A C 2.118 179.656 177.584 -0.077 0.000 1.306 369 A CA 0.697 52.700 52.037 -0.056 0.000 0.626 369 A CB -0.236 18.720 19.000 -0.075 0.000 0.994 369 A HN 0.259 nan 8.150 nan 0.000 0.475 370 K N 0.220 120.524 120.400 -0.161 0.000 2.077 370 K HA -0.146 4.174 4.320 0.000 0.000 0.213 370 K C 0.697 177.239 176.600 -0.097 0.000 1.051 370 K CA 1.350 57.439 56.287 -0.329 0.000 0.929 370 K CB -0.690 31.322 32.500 -0.815 0.000 0.715 370 K HN 0.412 nan 8.250 nan 0.000 0.451 371 L N 1.232 122.482 121.223 0.046 0.000 3.168 371 L HA 0.040 4.380 4.340 0.000 0.000 0.253 371 L C 0.101 177.022 176.870 0.085 0.000 1.384 371 L CA -0.487 54.445 54.840 0.153 0.000 1.131 371 L CB -0.912 41.222 42.059 0.125 0.000 1.552 371 L HN 0.196 nan 8.230 nan 0.000 0.431 372 A N -1.226 121.634 122.820 0.067 0.000 2.590 372 A HA 0.593 4.913 4.320 0.000 0.000 0.294 372 A C 0.449 178.059 177.584 0.045 0.000 1.046 372 A CA -0.003 52.062 52.037 0.047 0.000 0.684 372 A CB 0.620 19.636 19.000 0.026 0.000 1.279 372 A HN 0.212 nan 8.150 nan 0.000 0.415 373 G N 0.176 109.003 108.800 0.045 0.000 2.559 373 G HA2 0.384 4.344 3.960 0.000 0.000 0.209 373 G HA3 0.384 4.344 3.960 0.000 0.000 0.209 373 G C 0.938 175.869 174.900 0.052 0.000 1.151 373 G CA 0.793 45.921 45.100 0.045 0.000 0.824 373 G HN 1.724 nan 8.290 nan 0.000 0.543 374 G N 0.585 109.416 108.800 0.052 0.000 2.778 374 G HA2 0.410 4.370 3.960 0.000 0.000 0.287 374 G HA3 0.410 4.370 3.960 0.000 0.000 0.287 374 G C -1.048 173.891 174.900 0.064 0.000 0.747 374 G CA -0.053 45.091 45.100 0.075 0.000 1.961 374 G HN 0.200 nan 8.290 nan 0.000 0.539 375 V N 1.823 121.779 119.914 0.070 0.000 2.447 375 V HA 0.651 4.771 4.120 0.000 0.000 0.292 375 V C 0.312 176.390 176.094 -0.027 0.000 1.021 375 V CA -0.814 61.492 62.300 0.011 0.000 0.850 375 V CB 1.263 33.075 31.823 -0.018 0.000 1.005 375 V HN 0.858 nan 8.190 nan 0.000 0.426 376 A N 4.795 127.540 122.820 -0.124 0.000 2.295 376 A HA 0.924 5.244 4.320 0.000 0.000 0.318 376 A C -0.802 176.608 177.584 -0.290 0.000 1.134 376 A CA -0.559 51.256 52.037 -0.370 0.000 0.827 376 A CB 1.655 20.375 19.000 -0.467 0.000 1.136 376 A HN 0.726 nan 8.150 nan 0.000 0.493 377 V N 3.102 122.807 119.914 -0.347 0.000 2.567 377 V HA 0.262 4.382 4.120 0.000 0.000 0.298 377 V C -0.775 175.153 176.094 -0.277 0.000 1.047 377 V CA -0.064 62.085 62.300 -0.252 0.000 0.880 377 V CB 1.444 33.158 31.823 -0.181 0.000 1.009 377 V HN 0.753 nan 8.190 nan 0.000 0.429 378 I N 5.277 125.671 120.570 -0.294 0.000 2.304 378 I HA 0.460 4.630 4.170 0.000 0.000 0.291 378 I C 0.444 176.352 176.117 -0.348 0.000 1.018 378 I CA -0.342 60.738 61.300 -0.366 0.000 1.260 378 I CB 0.825 38.495 38.000 -0.550 0.000 1.390 378 I HN 0.423 nan 8.210 nan 0.000 0.475 379 R N 5.878 126.217 120.500 -0.267 0.000 2.233 379 R HA 0.389 4.729 4.340 0.000 0.000 0.334 379 R C -0.779 175.401 176.300 -0.200 0.000 1.037 379 R CA -0.668 55.312 56.100 -0.200 0.000 0.920 379 R CB 1.154 31.377 30.300 -0.129 0.000 1.137 379 R HN 0.383 nan 8.270 nan 0.000 0.492 380 V N 2.618 122.397 119.914 -0.226 0.000 2.521 380 V HA 0.211 4.331 4.120 0.000 0.000 0.286 380 V C 1.060 177.135 176.094 -0.031 0.000 1.034 380 V CA -0.130 62.089 62.300 -0.134 0.000 1.045 380 V CB 1.091 32.871 31.823 -0.072 0.000 0.974 380 V HN 0.869 nan 8.190 nan 0.000 0.480 381 G N 2.780 111.586 108.800 0.011 0.000 2.432 381 G HA2 0.854 4.814 3.960 0.000 0.000 0.331 381 G HA3 0.854 4.814 3.960 0.000 0.000 0.331 381 G C -0.708 174.216 174.900 0.040 0.000 1.170 381 G CA -0.065 45.045 45.100 0.017 0.000 0.943 381 G HN 1.234 nan 8.290 nan 0.000 0.483 382 A N -0.546 122.291 122.820 0.029 0.000 2.586 382 A HA 0.783 5.103 4.320 0.000 0.000 0.290 382 A C 0.599 178.196 177.584 0.021 0.000 1.086 382 A CA 0.354 52.410 52.037 0.032 0.000 0.665 382 A CB 0.704 19.728 19.000 0.039 0.000 1.279 382 A HN 1.843 nan 8.150 nan 0.000 0.423 383 A N -0.349 122.482 122.820 0.019 0.000 2.021 383 A HA 0.462 4.782 4.320 0.000 0.000 0.216 383 A C 1.144 178.736 177.584 0.013 0.000 1.163 383 A CA 2.078 54.124 52.037 0.014 0.000 0.676 383 A CB -0.406 18.601 19.000 0.012 0.000 0.818 383 A HN 2.021 nan 8.150 nan 0.000 0.453 384 T N -4.379 110.184 114.554 0.015 0.000 2.906 384 T HA 0.508 4.858 4.350 0.000 0.000 0.295 384 T C 0.338 175.048 174.700 0.017 0.000 1.061 384 T CA -0.058 62.050 62.100 0.014 0.000 1.000 384 T CB 1.910 70.785 68.868 0.013 0.000 1.103 384 T HN 0.009 nan 8.240 nan 0.000 0.486 385 E N 1.410 121.619 120.200 0.016 0.000 2.038 385 E HA -0.117 4.233 4.350 0.000 0.000 0.195 385 E C 2.005 178.618 176.600 0.021 0.000 1.000 385 E CA 2.422 58.833 56.400 0.018 0.000 0.803 385 E CB -0.974 28.736 29.700 0.016 0.000 0.750 385 E HN 0.794 nan 8.360 nan 0.000 0.448 386 T N 0.368 114.932 114.554 0.018 0.000 2.684 386 T HA -0.213 4.137 4.350 0.000 0.000 0.267 386 T C 1.765 176.477 174.700 0.020 0.000 1.036 386 T CA 1.619 63.729 62.100 0.016 0.000 1.148 386 T CB -0.362 68.513 68.868 0.012 0.000 0.863 386 T HN 0.368 nan 8.240 nan 0.000 0.436 387 E N 0.400 120.613 120.200 0.021 0.000 2.051 387 E HA -0.136 4.214 4.350 0.000 0.000 0.192 387 E C 2.202 178.826 176.600 0.040 0.000 0.991 387 E CA 0.867 57.283 56.400 0.026 0.000 0.799 387 E CB -0.228 29.486 29.700 0.024 0.000 0.748 387 E HN 0.280 nan 8.360 nan 0.000 0.449 388 L N 1.950 123.197 121.223 0.041 0.000 1.990 388 L HA -0.244 4.096 4.340 0.000 0.000 0.213 388 L C 2.377 179.287 176.870 0.067 0.000 1.072 388 L CA 2.302 57.174 54.840 0.053 0.000 0.755 388 L CB -0.626 41.456 42.059 0.038 0.000 0.889 388 L HN 0.055 nan 8.230 nan 0.000 0.432 389 K N -1.095 119.337 120.400 0.053 0.000 2.160 389 K HA -0.283 4.037 4.320 0.000 0.000 0.206 389 K C 2.062 178.713 176.600 0.085 0.000 1.047 389 K CA 1.880 58.203 56.287 0.060 0.000 0.930 389 K CB -0.058 32.464 32.500 0.035 0.000 0.720 389 K HN 0.475 nan 8.250 nan 0.000 0.450 390 E N 0.751 120.994 120.200 0.072 0.000 2.102 390 E HA -0.085 4.265 4.350 0.000 0.000 0.190 390 E C 1.768 178.441 176.600 0.122 0.000 0.971 390 E CA 1.165 57.617 56.400 0.085 0.000 0.821 390 E CB 0.034 29.758 29.700 0.039 0.000 0.777 390 E HN 0.208 nan 8.360 nan 0.000 0.460 391 K N 0.673 121.134 120.400 0.102 0.000 2.032 391 K HA -0.227 4.093 4.320 0.000 0.000 0.209 391 K C 2.192 178.926 176.600 0.223 0.000 1.048 391 K CA 1.793 58.150 56.287 0.117 0.000 0.927 391 K CB -0.144 32.434 32.500 0.129 0.000 0.712 391 K HN -0.002 nan 8.250 nan 0.000 0.441 392 K N -0.357 120.180 120.400 0.228 0.000 2.032 392 K HA -0.277 4.043 4.320 0.000 0.000 0.209 392 K C 2.188 178.927 176.600 0.232 0.000 1.048 392 K CA 2.127 58.561 56.287 0.244 0.000 0.927 392 K CB -0.285 32.295 32.500 0.133 0.000 0.712 392 K HN 0.290 nan 8.250 nan 0.000 0.441 393 H N 0.361 119.490 119.070 0.099 0.000 2.352 393 H HA -0.037 4.519 4.556 0.000 0.000 0.299 393 H C 1.983 177.344 175.328 0.055 0.000 1.097 393 H CA 1.992 58.080 56.048 0.066 0.000 1.311 393 H CB 0.157 29.941 29.762 0.036 0.000 1.377 393 H HN 0.154 nan 8.280 nan 0.000 0.504 394 R N -0.966 119.565 120.500 0.053 0.000 2.105 394 R HA -0.151 4.189 4.340 0.000 0.000 0.239 394 R C 2.197 178.410 176.300 -0.145 0.000 1.135 394 R CA 1.606 57.658 56.100 -0.081 0.000 0.967 394 R CB -0.425 29.806 30.300 -0.116 0.000 0.861 394 R HN 0.333 nan 8.270 nan 0.000 0.442 395 F N 1.276 121.184 119.950 -0.070 0.000 2.069 395 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 395 F C 2.417 178.152 175.800 -0.108 0.000 1.113 395 F CA 1.607 59.563 58.000 -0.073 0.000 1.214 395 F CB -0.195 38.771 39.000 -0.056 0.000 0.978 395 F HN 0.071 nan 8.300 nan 0.000 0.474 396 E N -0.079 120.156 120.200 0.059 0.000 2.097 396 E HA -0.256 4.094 4.350 0.000 0.000 0.196 396 E C 1.744 178.266 176.600 -0.129 0.000 1.000 396 E CA 1.576 57.939 56.400 -0.062 0.000 0.804 396 E CB -0.360 29.262 29.700 -0.131 0.000 0.740 396 E HN 0.417 nan 8.360 nan 0.000 0.454 397 D N 0.542 120.804 120.400 -0.229 0.000 2.097 397 D HA -0.113 4.527 4.640 0.000 0.000 0.195 397 D C 1.994 178.240 176.300 -0.089 0.000 0.989 397 D CA 1.362 55.258 54.000 -0.174 0.000 0.827 397 D CB -0.390 40.303 40.800 -0.179 0.000 0.966 397 D HN 0.173 nan 8.370 nan 0.000 0.456 398 A N 0.888 123.660 122.820 -0.081 0.000 1.892 398 A HA -0.201 4.119 4.320 0.000 0.000 0.218 398 A C 2.431 180.001 177.584 -0.023 0.000 1.188 398 A CA 1.273 53.277 52.037 -0.055 0.000 0.631 398 A CB -0.922 18.038 19.000 -0.067 0.000 0.822 398 A HN 0.230 nan 8.150 nan 0.000 0.447 399 L N -0.429 120.792 121.223 -0.005 0.000 1.976 399 L HA -0.237 4.103 4.340 0.000 0.000 0.209 399 L C 2.425 179.287 176.870 -0.014 0.000 1.071 399 L CA 1.535 56.375 54.840 0.000 0.000 0.746 399 L CB -0.827 41.234 42.059 0.005 0.000 0.890 399 L HN 0.422 nan 8.230 nan 0.000 0.432 400 N N 0.262 118.947 118.700 -0.025 0.000 2.132 400 N HA -0.234 4.506 4.740 0.000 0.000 0.191 400 N C 1.746 177.245 175.510 -0.019 0.000 1.015 400 N CA 1.703 54.739 53.050 -0.023 0.000 0.864 400 N CB -0.283 38.185 38.487 -0.031 0.000 1.006 400 N HN 0.406 nan 8.380 nan 0.000 0.430 401 A N 0.957 123.763 122.820 -0.023 0.000 1.841 401 A HA -0.113 4.207 4.320 0.000 0.000 0.214 401 A C 2.447 180.023 177.584 -0.013 0.000 1.195 401 A CA 2.099 54.124 52.037 -0.020 0.000 0.611 401 A CB -1.225 17.759 19.000 -0.027 0.000 0.835 401 A HN 0.302 nan 8.150 nan 0.000 0.443 402 T N 0.298 114.845 114.554 -0.011 0.000 2.624 402 T HA -0.229 4.121 4.350 0.000 0.000 0.268 402 T C 2.089 176.787 174.700 -0.003 0.000 1.041 402 T CA 1.678 63.775 62.100 -0.005 0.000 1.159 402 T CB -0.363 68.505 68.868 0.001 0.000 0.863 402 T HN 0.356 nan 8.240 nan 0.000 0.434 403 R N 1.431 121.928 120.500 -0.004 0.000 2.112 403 R HA -0.037 4.303 4.340 0.000 0.000 0.242 403 R C 2.776 179.074 176.300 -0.002 0.000 1.137 403 R CA 1.788 57.886 56.100 -0.003 0.000 0.944 403 R CB -1.425 28.872 30.300 -0.005 0.000 0.857 403 R HN 0.517 nan 8.270 nan 0.000 0.435 404 A N 0.949 123.766 122.820 -0.004 0.000 1.972 404 A HA -0.012 4.308 4.320 0.000 0.000 0.219 404 A C 2.395 179.977 177.584 -0.003 0.000 1.169 404 A CA 1.695 53.730 52.037 -0.003 0.000 0.635 404 A CB -0.494 18.503 19.000 -0.005 0.000 0.810 404 A HN 0.380 nan 8.150 nan 0.000 0.446 405 A N -0.336 122.482 122.820 -0.004 0.000 1.858 405 A HA -0.039 4.281 4.320 0.000 0.000 0.216 405 A C 2.215 179.798 177.584 -0.001 0.000 1.190 405 A CA 1.883 53.918 52.037 -0.003 0.000 0.617 405 A CB -1.032 17.965 19.000 -0.005 0.000 0.827 405 A HN 0.422 nan 8.150 nan 0.000 0.443 406 V N 0.206 120.120 119.914 0.001 0.000 2.343 406 V HA -0.291 3.829 4.120 0.000 0.000 0.247 406 V C 2.389 178.484 176.094 0.002 0.000 1.051 406 V CA 2.323 64.625 62.300 0.003 0.000 1.036 406 V CB -0.993 30.833 31.823 0.004 0.000 0.654 406 V HN 0.626 nan 8.190 nan 0.000 0.451 407 E N 0.210 120.411 120.200 0.002 0.000 2.000 407 E HA -0.219 4.131 4.350 0.000 0.000 0.199 407 E C 2.024 178.625 176.600 0.002 0.000 1.011 407 E CA 1.664 58.066 56.400 0.002 0.000 0.836 407 E CB -0.154 29.547 29.700 0.002 0.000 0.778 407 E HN 0.660 nan 8.360 nan 0.000 0.462 408 E N -0.255 119.946 120.200 0.002 0.000 2.481 408 E HA 0.205 4.555 4.350 0.000 0.000 0.198 408 E C 0.466 177.067 176.600 0.002 0.000 1.027 408 E CA 0.182 56.583 56.400 0.002 0.000 0.900 408 E CB 1.270 30.971 29.700 0.002 0.000 0.993 408 E HN 0.290 nan 8.360 nan 0.000 0.482 409 G N 1.441 110.242 108.800 0.001 0.000 2.409 409 G HA2 -0.108 3.852 3.960 0.000 0.000 0.421 409 G HA3 -0.108 3.852 3.960 0.000 0.000 0.421 409 G C -1.332 173.568 174.900 -0.001 0.000 1.259 409 G CA -0.657 44.444 45.100 0.001 0.000 1.011 409 G HN 0.110 nan 8.290 nan 0.000 0.497 410 I N 0.070 120.640 120.570 -0.001 0.000 2.722 410 I HA 0.681 4.851 4.170 0.000 0.000 0.295 410 I C 0.022 176.138 176.117 -0.002 0.000 1.161 410 I CA -1.075 60.223 61.300 -0.003 0.000 1.032 410 I CB 2.082 40.080 38.000 -0.004 0.000 1.244 410 I HN 1.197 nan 8.210 nan 0.000 0.421 411 V N 3.564 123.475 119.914 -0.004 0.000 3.141 411 V HA 0.745 4.865 4.120 0.000 0.000 0.312 411 V C -2.781 173.309 176.094 -0.007 0.000 1.157 411 V CA -2.114 60.184 62.300 -0.002 0.000 1.041 411 V CB 1.499 33.322 31.823 -0.000 0.000 1.071 411 V HN 0.560 nan 8.190 nan 0.000 0.441 412 P HA 0.264 nan 4.420 nan 0.000 0.271 412 P C 0.217 177.504 177.300 -0.022 0.000 1.216 412 P CA 0.629 63.722 63.100 -0.011 0.000 0.776 412 P CB 1.105 32.804 31.700 -0.000 0.000 0.881 413 G N 1.442 110.220 108.800 -0.037 0.000 2.546 413 G HA2 0.392 4.352 3.960 0.000 0.000 0.239 413 G HA3 0.392 4.352 3.960 0.000 0.000 0.239 413 G C 0.795 175.661 174.900 -0.057 0.000 1.476 413 G CA -0.227 44.846 45.100 -0.046 0.000 1.064 413 G HN 0.724 nan 8.290 nan 0.000 0.561 414 G N -1.667 107.093 108.800 -0.067 0.000 2.296 414 G HA2 0.184 4.144 3.960 0.000 0.000 0.282 414 G HA3 0.184 4.144 3.960 0.000 0.000 0.282 414 G C 1.574 176.447 174.900 -0.045 0.000 1.014 414 G CA 1.351 46.407 45.100 -0.073 0.000 0.812 414 G HN 2.413 nan 8.290 nan 0.000 0.508 415 G N -2.685 106.097 108.800 -0.031 0.000 2.196 415 G HA2 -0.287 3.673 3.960 0.000 0.000 0.268 415 G HA3 -0.287 3.673 3.960 0.000 0.000 0.268 415 G C 1.508 176.401 174.900 -0.012 0.000 0.975 415 G CA 1.302 46.392 45.100 -0.017 0.000 0.648 415 G HN 1.468 nan 8.290 nan 0.000 0.538 416 V N 0.454 120.356 119.914 -0.021 0.000 2.324 416 V HA -0.235 3.885 4.120 0.000 0.000 0.250 416 V C 2.919 179.017 176.094 0.006 0.000 1.060 416 V CA 3.264 65.558 62.300 -0.010 0.000 1.042 416 V CB -0.967 30.841 31.823 -0.024 0.000 0.650 416 V HN 0.678 nan 8.190 nan 0.000 0.450 417 T N -0.332 114.223 114.554 0.002 0.000 2.720 417 T HA -0.187 4.163 4.350 0.000 0.000 0.268 417 T C 1.712 176.418 174.700 0.010 0.000 1.037 417 T CA 1.898 64.003 62.100 0.008 0.000 1.144 417 T CB -0.250 68.619 68.868 0.003 0.000 0.864 417 T HN 0.331 nan 8.240 nan 0.000 0.444 418 L N 0.506 121.733 121.223 0.007 0.000 2.141 418 L HA 0.152 4.492 4.340 0.000 0.000 0.209 418 L C 2.499 179.377 176.870 0.013 0.000 1.094 418 L CA 0.977 55.822 54.840 0.009 0.000 0.763 418 L CB -0.582 41.480 42.059 0.006 0.000 0.908 418 L HN 0.278 nan 8.230 nan 0.000 0.437 419 L N -0.920 120.312 121.223 0.016 0.000 2.046 419 L HA -0.155 4.185 4.340 0.000 0.000 0.208 419 L C 2.684 179.571 176.870 0.029 0.000 1.077 419 L CA 0.810 55.664 54.840 0.023 0.000 0.747 419 L CB -0.445 41.630 42.059 0.028 0.000 0.896 419 L HN 0.230 nan 8.230 nan 0.000 0.432 420 R N 0.195 120.713 120.500 0.030 0.000 2.193 420 R HA -0.064 4.276 4.340 0.000 0.000 0.229 420 R C 2.143 178.458 176.300 0.025 0.000 1.110 420 R CA 1.173 57.293 56.100 0.033 0.000 0.988 420 R CB -0.882 29.439 30.300 0.035 0.000 0.871 420 R HN 0.334 nan 8.270 nan 0.000 0.458 421 A N 0.981 123.813 122.820 0.020 0.000 2.067 421 A HA -0.047 4.273 4.320 0.000 0.000 0.219 421 A C 2.202 179.795 177.584 0.016 0.000 1.158 421 A CA 0.642 52.689 52.037 0.016 0.000 0.661 421 A CB -0.393 18.614 19.000 0.013 0.000 0.801 421 A HN 0.172 nan 8.150 nan 0.000 0.452 422 I N 0.841 121.422 120.570 0.018 0.000 2.118 422 I HA -0.330 3.840 4.170 0.000 0.000 0.241 422 I C 2.918 179.045 176.117 0.017 0.000 1.070 422 I CA 1.791 63.102 61.300 0.018 0.000 1.327 422 I CB -0.528 37.484 38.000 0.020 0.000 1.034 422 I HN 0.506 nan 8.210 nan 0.000 0.405 423 S N 1.419 117.131 115.700 0.020 0.000 2.407 423 S HA -0.258 4.212 4.470 0.000 0.000 0.235 423 S C 2.157 176.765 174.600 0.015 0.000 1.036 423 S CA 1.179 59.390 58.200 0.018 0.000 1.013 423 S CB -0.773 62.439 63.200 0.020 0.000 0.820 423 S HN 0.479 nan 8.310 nan 0.000 0.476 424 A N 1.604 124.433 122.820 0.014 0.000 1.873 424 A HA 0.109 4.429 4.320 0.000 0.000 0.215 424 A C 2.450 180.041 177.584 0.011 0.000 1.186 424 A CA 1.535 53.579 52.037 0.012 0.000 0.616 424 A CB -1.055 17.952 19.000 0.012 0.000 0.823 424 A HN 0.489 nan 8.150 nan 0.000 0.442 425 V N 0.053 119.973 119.914 0.011 0.000 2.407 425 V HA -0.238 3.882 4.120 0.000 0.000 0.248 425 V C 2.487 178.587 176.094 0.010 0.000 1.055 425 V CA 2.315 64.621 62.300 0.010 0.000 1.049 425 V CB -0.897 30.933 31.823 0.010 0.000 0.662 425 V HN 0.650 nan 8.190 nan 0.000 0.455 426 E N 0.849 121.055 120.200 0.011 0.000 2.033 426 E HA -0.274 4.076 4.350 0.000 0.000 0.199 426 E C 2.154 178.759 176.600 0.009 0.000 1.011 426 E CA 1.869 58.275 56.400 0.010 0.000 0.815 426 E CB -0.335 29.372 29.700 0.012 0.000 0.755 426 E HN 0.557 nan 8.360 nan 0.000 0.451 427 E N -0.307 119.899 120.200 0.009 0.000 2.085 427 E HA -0.178 4.172 4.350 0.000 0.000 0.194 427 E C 1.944 178.548 176.600 0.007 0.000 0.994 427 E CA 1.103 57.508 56.400 0.008 0.000 0.801 427 E CB -0.489 29.216 29.700 0.008 0.000 0.743 427 E HN 0.319 nan 8.360 nan 0.000 0.453 428 L N 0.375 121.603 121.223 0.008 0.000 2.017 428 L HA -0.109 4.231 4.340 0.000 0.000 0.208 428 L C 2.086 178.960 176.870 0.007 0.000 1.073 428 L CA 1.695 56.539 54.840 0.007 0.000 0.745 428 L CB -0.652 41.411 42.059 0.007 0.000 0.894 428 L HN 0.245 nan 8.230 nan 0.000 0.432 429 I N -0.166 120.408 120.570 0.007 0.000 2.194 429 I HA -0.373 3.797 4.170 0.000 0.000 0.246 429 I C 2.388 178.508 176.117 0.006 0.000 1.093 429 I CA 1.727 63.031 61.300 0.007 0.000 1.355 429 I CB -0.540 37.464 38.000 0.007 0.000 1.046 429 I HN 0.308 nan 8.210 nan 0.000 0.413 430 K N 0.505 120.909 120.400 0.006 0.000 2.286 430 K HA -0.230 4.090 4.320 0.000 0.000 0.203 430 K C 1.883 178.486 176.600 0.005 0.000 1.045 430 K CA 1.114 57.404 56.287 0.005 0.000 0.935 430 K CB -0.132 32.371 32.500 0.005 0.000 0.737 430 K HN 0.053 nan 8.250 nan 0.000 0.460 431 K N 0.599 121.002 120.400 0.005 0.000 2.358 431 K HA 0.186 4.506 4.320 0.000 0.000 0.197 431 K C -0.066 176.537 176.600 0.005 0.000 1.025 431 K CA 0.118 56.408 56.287 0.005 0.000 1.104 431 K CB 0.411 32.914 32.500 0.005 0.000 0.855 431 K HN -0.049 nan 8.250 nan 0.000 0.531 432 L N 0.296 121.522 121.223 0.005 0.000 2.332 432 L HA 0.463 4.803 4.340 0.000 0.000 0.269 432 L C 0.105 176.978 176.870 0.005 0.000 1.016 432 L CA -0.764 54.080 54.840 0.005 0.000 0.809 432 L CB 1.827 43.889 42.059 0.006 0.000 1.280 432 L HN 0.044 nan 8.230 nan 0.000 0.447 433 E N -0.686 119.517 120.200 0.005 0.000 2.447 433 E HA 0.517 4.867 4.350 0.000 0.000 0.258 433 E C -0.073 176.530 176.600 0.005 0.000 0.916 433 E CA -0.385 56.017 56.400 0.005 0.000 0.846 433 E CB 1.463 31.165 29.700 0.004 0.000 1.517 433 E HN 0.718 nan 8.360 nan 0.000 0.418 434 G N 1.121 109.924 108.800 0.005 0.000 2.551 434 G HA2 -0.368 3.592 3.960 0.000 0.000 0.383 434 G HA3 -0.368 3.592 3.960 0.000 0.000 0.383 434 G C 0.410 175.313 174.900 0.006 0.000 1.370 434 G CA 0.770 45.873 45.100 0.005 0.000 0.940 434 G HN 0.694 nan 8.290 nan 0.000 0.524 435 D N 0.077 120.480 120.400 0.006 0.000 2.218 435 D HA -0.058 4.582 4.640 0.000 0.000 0.204 435 D C 2.130 178.433 176.300 0.006 0.000 0.976 435 D CA 1.329 55.333 54.000 0.006 0.000 0.853 435 D CB -0.176 40.628 40.800 0.007 0.000 0.939 435 D HN 0.668 nan 8.370 nan 0.000 0.481 436 E N 0.551 120.755 120.200 0.006 0.000 2.118 436 E HA -0.167 4.183 4.350 0.000 0.000 0.195 436 E C 2.009 178.612 176.600 0.006 0.000 0.992 436 E CA 0.987 57.390 56.400 0.006 0.000 0.804 436 E CB 0.085 29.788 29.700 0.006 0.000 0.741 436 E HN 0.179 nan 8.360 nan 0.000 0.458 437 A N 0.014 122.837 122.820 0.006 0.000 1.930 437 A HA -0.137 4.183 4.320 0.000 0.000 0.217 437 A C 2.315 179.903 177.584 0.006 0.000 1.175 437 A CA 1.757 53.797 52.037 0.006 0.000 0.627 437 A CB -0.715 18.288 19.000 0.006 0.000 0.815 437 A HN 0.264 nan 8.150 nan 0.000 0.443 438 T N -0.030 114.528 114.554 0.006 0.000 2.684 438 T HA -0.075 4.275 4.350 0.000 0.000 0.267 438 T C 2.023 176.727 174.700 0.007 0.000 1.036 438 T CA 1.555 63.659 62.100 0.007 0.000 1.148 438 T CB -0.786 68.086 68.868 0.007 0.000 0.863 438 T HN 0.586 nan 8.240 nan 0.000 0.436 439 G N 1.415 110.219 108.800 0.007 0.000 2.529 439 G HA2 -0.178 3.782 3.960 0.000 0.000 0.219 439 G HA3 -0.178 3.782 3.960 0.000 0.000 0.219 439 G C 1.859 176.763 174.900 0.007 0.000 1.177 439 G CA 1.207 46.312 45.100 0.007 0.000 0.773 439 G HN 0.603 nan 8.290 nan 0.000 0.573 440 A N 0.878 123.702 122.820 0.007 0.000 1.892 440 A HA -0.110 4.210 4.320 0.000 0.000 0.218 440 A C 2.316 179.905 177.584 0.008 0.000 1.188 440 A CA 2.227 54.268 52.037 0.007 0.000 0.631 440 A CB -0.486 18.518 19.000 0.007 0.000 0.822 440 A HN 0.421 nan 8.150 nan 0.000 0.447 441 K N -0.470 119.935 120.400 0.008 0.000 2.113 441 K HA -0.127 4.193 4.320 0.000 0.000 0.208 441 K C 1.800 178.405 176.600 0.008 0.000 1.047 441 K CA 1.576 57.868 56.287 0.008 0.000 0.928 441 K CB -0.463 32.041 32.500 0.007 0.000 0.716 441 K HN 0.583 nan 8.250 nan 0.000 0.446 442 I N 0.662 121.236 120.570 0.008 0.000 2.163 442 I HA -0.315 3.855 4.170 0.000 0.000 0.243 442 I C 2.244 178.365 176.117 0.008 0.000 1.085 442 I CA 1.281 62.586 61.300 0.008 0.000 1.347 442 I CB -0.446 37.559 38.000 0.007 0.000 1.044 442 I HN -0.042 nan 8.210 nan 0.000 0.408 443 V N 0.757 120.676 119.914 0.008 0.000 2.343 443 V HA -0.298 3.822 4.120 0.000 0.000 0.247 443 V C 2.631 178.730 176.094 0.009 0.000 1.051 443 V CA 2.021 64.326 62.300 0.008 0.000 1.036 443 V CB -0.858 30.970 31.823 0.008 0.000 0.654 443 V HN 0.427 nan 8.190 nan 0.000 0.451 444 R N 0.160 120.666 120.500 0.009 0.000 2.119 444 R HA -0.290 4.050 4.340 0.000 0.000 0.246 444 R C 2.445 178.751 176.300 0.011 0.000 1.146 444 R CA 2.390 58.497 56.100 0.010 0.000 0.962 444 R CB -0.240 30.066 30.300 0.010 0.000 0.863 444 R HN 0.398 nan 8.270 nan 0.000 0.442 445 R N 0.425 120.930 120.500 0.010 0.000 2.057 445 R HA 0.037 4.377 4.340 0.000 0.000 0.229 445 R C 2.067 178.372 176.300 0.010 0.000 1.136 445 R CA 1.971 58.077 56.100 0.010 0.000 0.952 445 R CB -0.996 29.310 30.300 0.009 0.000 0.848 445 R HN 0.297 nan 8.270 nan 0.000 0.430 446 A N 1.159 123.984 122.820 0.009 0.000 1.915 446 A HA -0.203 4.117 4.320 0.000 0.000 0.220 446 A C 2.296 179.885 177.584 0.008 0.000 1.198 446 A CA 2.006 54.047 52.037 0.008 0.000 0.647 446 A CB -1.032 17.972 19.000 0.008 0.000 0.825 446 A HN 0.416 nan 8.150 nan 0.000 0.456 447 L N -0.786 120.443 121.223 0.009 0.000 2.357 447 L HA -0.261 4.079 4.340 0.000 0.000 0.220 447 L C 2.390 179.266 176.870 0.010 0.000 1.123 447 L CA 1.667 56.513 54.840 0.009 0.000 0.782 447 L CB -0.547 41.519 42.059 0.011 0.000 0.910 447 L HN 0.547 nan 8.230 nan 0.000 0.442 448 E N -0.974 119.232 120.200 0.010 0.000 2.230 448 E HA -0.135 4.215 4.350 0.000 0.000 0.192 448 E C 1.926 178.532 176.600 0.009 0.000 0.987 448 E CA 0.049 56.455 56.400 0.011 0.000 0.841 448 E CB 0.094 29.801 29.700 0.012 0.000 0.783 448 E HN 0.322 nan 8.360 nan 0.000 0.481 449 E N 0.717 120.922 120.200 0.008 0.000 2.086 449 E HA -0.183 4.167 4.350 0.000 0.000 0.205 449 E C -0.664 175.941 176.600 0.008 0.000 1.027 449 E CA 1.555 57.960 56.400 0.008 0.000 0.830 449 E CB -1.533 28.171 29.700 0.008 0.000 0.751 449 E HN 0.231 nan 8.360 nan 0.000 0.456 450 P HA -0.161 nan 4.420 nan 0.000 0.214 450 P C 1.301 178.603 177.300 0.003 0.000 1.163 450 P CA 2.417 65.518 63.100 0.003 0.000 0.889 450 P CB -0.220 31.480 31.700 0.000 0.000 0.790 451 A N -0.212 122.609 122.820 0.002 0.000 1.873 451 A HA -0.273 4.047 4.320 0.000 0.000 0.218 451 A C 2.295 179.883 177.584 0.007 0.000 1.193 451 A CA 1.826 53.863 52.037 0.000 0.000 0.629 451 A CB -1.260 17.739 19.000 -0.001 0.000 0.826 451 A HN 0.016 nan 8.150 nan 0.000 0.447 452 R N -1.197 119.308 120.500 0.008 0.000 2.103 452 R HA -0.182 4.158 4.340 0.000 0.000 0.234 452 R C 2.489 178.803 176.300 0.024 0.000 1.132 452 R CA 1.738 57.845 56.100 0.012 0.000 0.925 452 R CB -0.503 29.804 30.300 0.012 0.000 0.842 452 R HN 0.539 nan 8.270 nan 0.000 0.430 453 Q N 0.480 120.293 119.800 0.021 0.000 2.152 453 Q HA -0.172 4.168 4.340 0.000 0.000 0.206 453 Q C 2.174 178.194 176.000 0.034 0.000 0.985 453 Q CA 1.472 57.290 55.803 0.025 0.000 0.863 453 Q CB -0.317 28.431 28.738 0.017 0.000 0.904 453 Q HN 0.461 nan 8.270 nan 0.000 0.422 454 I N 0.123 120.709 120.570 0.027 0.000 2.099 454 I HA -0.310 3.860 4.170 0.000 0.000 0.239 454 I C 2.362 178.518 176.117 0.065 0.000 1.066 454 I CA 1.215 62.531 61.300 0.027 0.000 1.324 454 I CB -0.574 37.429 38.000 0.005 0.000 1.037 454 I HN 0.097 nan 8.210 nan 0.000 0.401 455 A N 0.279 123.151 122.820 0.086 0.000 1.883 455 A HA -0.297 4.023 4.320 0.000 0.000 0.217 455 A C 2.175 179.879 177.584 0.201 0.000 1.186 455 A CA 2.222 54.348 52.037 0.149 0.000 0.624 455 A CB -0.692 18.332 19.000 0.040 0.000 0.822 455 A HN 0.426 nan 8.150 nan 0.000 0.444 456 E N 0.607 120.879 120.200 0.119 0.000 2.033 456 E HA -0.202 4.148 4.350 0.000 0.000 0.199 456 E C 1.752 178.416 176.600 0.106 0.000 1.011 456 E CA 2.026 58.487 56.400 0.103 0.000 0.815 456 E CB -0.550 29.184 29.700 0.057 0.000 0.755 456 E HN 0.759 nan 8.360 nan 0.000 0.451 457 N N -0.589 118.161 118.700 0.083 0.000 2.430 457 N HA -0.173 4.567 4.740 0.000 0.000 0.186 457 N C 1.328 176.897 175.510 0.098 0.000 1.032 457 N CA 0.547 53.638 53.050 0.068 0.000 0.893 457 N CB -0.094 38.420 38.487 0.045 0.000 0.957 457 N HN 0.199 nan 8.380 nan 0.000 0.442 458 A N 0.445 123.369 122.820 0.172 0.000 2.132 458 A HA 0.306 4.626 4.320 0.000 0.000 0.213 458 A C 1.493 179.261 177.584 0.307 0.000 1.154 458 A CA 0.871 53.066 52.037 0.263 0.000 0.753 458 A CB 0.084 19.280 19.000 0.328 0.000 0.826 458 A HN 0.302 nan 8.150 nan 0.000 0.469 459 G N -2.307 106.621 108.800 0.214 0.000 2.173 459 G HA2 -0.151 3.809 3.960 0.000 0.000 0.174 459 G HA3 -0.151 3.809 3.960 0.000 0.000 0.174 459 G C -0.336 174.425 174.900 -0.231 0.000 1.025 459 G CA 0.023 45.108 45.100 -0.024 0.000 0.706 459 G HN 0.383 nan 8.290 nan 0.000 0.499 460 Y N -0.673 119.647 120.300 0.034 0.000 2.662 460 Y HA 0.703 5.253 4.550 -0.000 0.000 0.335 460 Y C 0.237 176.119 175.900 -0.030 0.000 1.066 460 Y CA -1.401 56.697 58.100 -0.003 0.000 1.116 460 Y CB 0.955 39.395 38.460 -0.035 0.000 1.308 460 Y HN -0.038 nan 8.280 nan 0.000 0.502 461 E N 0.836 121.105 120.200 0.116 0.000 2.052 461 E HA 0.181 4.531 4.350 0.000 0.000 0.283 461 E C 0.878 177.491 176.600 0.021 0.000 1.071 461 E CA 0.009 56.436 56.400 0.045 0.000 0.851 461 E CB 1.034 30.748 29.700 0.023 0.000 1.066 461 E HN 0.926 nan 8.360 nan 0.000 0.396 462 G N 3.055 111.870 108.800 0.024 0.000 2.672 462 G HA2 -0.375 3.585 3.960 0.000 0.000 0.218 462 G HA3 -0.375 3.585 3.960 0.000 0.000 0.218 462 G C 1.547 176.445 174.900 -0.002 0.000 1.238 462 G CA 1.210 46.316 45.100 0.009 0.000 0.791 462 G HN 0.503 nan 8.290 nan 0.000 0.606 463 S N -0.055 115.648 115.700 0.005 0.000 2.374 463 S HA -0.161 4.309 4.470 0.000 0.000 0.227 463 S C 2.459 177.061 174.600 0.004 0.000 1.037 463 S CA 1.306 59.510 58.200 0.005 0.000 1.024 463 S CB -0.479 62.725 63.200 0.006 0.000 0.861 463 S HN 0.214 nan 8.310 nan 0.000 0.456 464 V N 2.247 122.161 119.914 0.001 0.000 2.220 464 V HA -0.223 3.897 4.120 0.000 0.000 0.246 464 V C 2.139 178.238 176.094 0.007 0.000 1.049 464 V CA 1.956 64.256 62.300 0.000 0.000 1.003 464 V CB -0.693 31.131 31.823 0.002 0.000 0.634 464 V HN 0.445 nan 8.190 nan 0.000 0.444 465 I N -0.333 120.223 120.570 -0.024 0.000 2.151 465 I HA -0.259 3.911 4.170 0.000 0.000 0.243 465 I C 2.390 178.548 176.117 0.068 0.000 1.080 465 I CA 1.489 62.782 61.300 -0.011 0.000 1.339 465 I CB -0.535 37.238 38.000 -0.379 0.000 1.039 465 I HN 0.159 nan 8.210 nan 0.000 0.409 466 V N 0.364 120.287 119.914 0.016 0.000 2.380 466 V HA -0.298 3.822 4.120 0.000 0.000 0.251 466 V C 2.532 178.663 176.094 0.061 0.000 1.063 466 V CA 1.661 63.983 62.300 0.036 0.000 1.055 466 V CB -0.665 31.169 31.823 0.018 0.000 0.657 466 V HN 0.464 nan 8.190 nan 0.000 0.455 467 Q N -0.408 119.420 119.800 0.047 0.000 2.046 467 Q HA -0.231 4.109 4.340 0.000 0.000 0.200 467 Q C 2.261 178.294 176.000 0.055 0.000 0.975 467 Q CA 1.846 57.673 55.803 0.040 0.000 0.836 467 Q CB -0.468 28.279 28.738 0.016 0.000 0.896 467 Q HN 0.743 nan 8.270 nan 0.000 0.428 468 Q N 0.050 119.879 119.800 0.048 0.000 2.170 468 Q HA -0.110 4.230 4.340 0.000 0.000 0.203 468 Q C 2.071 178.182 176.000 0.185 0.000 0.976 468 Q CA 0.837 56.640 55.803 -0.001 0.000 0.858 468 Q CB 0.003 28.544 28.738 -0.328 0.000 0.907 468 Q HN 0.354 nan 8.270 nan 0.000 0.433 469 I N 0.159 120.894 120.570 0.275 0.000 2.133 469 I HA -0.304 3.866 4.170 0.000 0.000 0.238 469 I C 2.048 178.305 176.117 0.234 0.000 1.074 469 I CA 1.003 62.467 61.300 0.274 0.000 1.342 469 I CB -0.235 37.854 38.000 0.149 0.000 1.053 469 I HN 0.251 nan 8.210 nan 0.000 0.404 470 L N 0.569 121.877 121.223 0.142 0.000 2.353 470 L HA -0.188 4.152 4.340 0.000 0.000 0.220 470 L C 2.615 179.542 176.870 0.095 0.000 1.133 470 L CA 0.772 55.673 54.840 0.102 0.000 0.798 470 L CB -0.625 41.473 42.059 0.066 0.000 0.922 470 L HN 0.265 nan 8.230 nan 0.000 0.445 471 A N -0.068 122.816 122.820 0.106 0.000 1.825 471 A HA -0.191 4.129 4.320 0.000 0.000 0.214 471 A C 1.343 178.960 177.584 0.055 0.000 1.206 471 A CA 0.609 52.684 52.037 0.064 0.000 0.609 471 A CB -0.428 18.596 19.000 0.041 0.000 0.851 471 A HN 0.332 nan 8.150 nan 0.000 0.445 472 E N 1.144 121.392 120.200 0.081 0.000 2.059 472 E HA 0.154 4.504 4.350 0.000 0.000 0.262 472 E C 0.157 176.781 176.600 0.041 0.000 1.230 472 E CA 0.510 56.890 56.400 -0.033 0.000 0.951 472 E CB 0.044 29.540 29.700 -0.339 0.000 1.038 472 E HN 0.471 nan 8.360 nan 0.000 0.425 473 T N 1.003 115.566 114.554 0.015 0.000 3.243 473 T HA 0.211 4.561 4.350 0.000 0.000 0.264 473 T C 0.781 175.488 174.700 0.012 0.000 1.000 473 T CA -0.450 61.670 62.100 0.033 0.000 0.901 473 T CB 0.227 69.112 68.868 0.028 0.000 1.083 473 T HN 0.278 nan 8.240 nan 0.000 0.559 474 K N 1.548 121.939 120.400 -0.015 0.000 2.044 474 K HA 0.095 4.415 4.320 0.000 0.000 0.204 474 K C 0.728 177.329 176.600 0.002 0.000 1.045 474 K CA 0.567 56.843 56.287 -0.019 0.000 0.951 474 K CB -0.045 32.425 32.500 -0.049 0.000 0.738 474 K HN 0.304 nan 8.250 nan 0.000 0.443 475 N N 1.437 120.143 118.700 0.010 0.000 2.518 475 N HA 0.110 4.850 4.740 0.000 0.000 0.254 475 N C -2.111 173.459 175.510 0.100 0.000 0.979 475 N CA -2.283 50.795 53.050 0.046 0.000 0.930 475 N CB 1.421 39.932 38.487 0.040 0.000 1.152 475 N HN -0.185 nan 8.380 nan 0.000 0.505 476 P HA -0.175 nan 4.420 nan 0.000 0.220 476 P C 0.532 177.896 177.300 0.107 0.000 1.144 476 P CA 1.007 64.163 63.100 0.092 0.000 0.800 476 P CB 0.347 32.082 31.700 0.058 0.000 0.772 477 R N -1.853 118.709 120.500 0.104 0.000 2.339 477 R HA -0.048 4.292 4.340 0.000 0.000 0.199 477 R C 0.664 177.051 176.300 0.146 0.000 1.018 477 R CA -0.059 56.098 56.100 0.094 0.000 1.036 477 R CB -0.650 29.695 30.300 0.075 0.000 0.899 477 R HN 0.228 nan 8.270 nan 0.000 0.473 478 Y N 0.867 121.198 120.300 0.050 0.000 2.496 478 Y HA 0.301 4.851 4.550 0.000 0.000 0.334 478 Y C 0.456 176.419 175.900 0.105 0.000 1.080 478 Y CA -0.026 58.125 58.100 0.086 0.000 1.355 478 Y CB 0.493 39.013 38.460 0.100 0.000 1.193 478 Y HN 0.030 nan 8.280 nan 0.000 0.523 479 G N 4.635 113.224 108.800 -0.351 0.000 2.721 479 G HA2 0.364 4.324 3.960 0.000 0.000 0.296 479 G HA3 0.364 4.324 3.960 0.000 0.000 0.296 479 G C -2.244 172.367 174.900 -0.482 0.000 1.383 479 G CA -0.932 43.960 45.100 -0.346 0.000 0.788 479 G HN 0.454 nan 8.290 nan 0.000 0.500 480 F N 1.576 121.114 119.950 -0.686 0.000 2.415 480 F HA 0.526 5.053 4.527 0.000 0.000 0.348 480 F C 0.194 175.659 175.800 -0.558 0.000 1.119 480 F CA -1.669 55.759 58.000 -0.954 0.000 1.069 480 F CB 1.676 40.001 39.000 -1.125 0.000 1.124 480 F HN 0.304 nan 8.300 nan 0.000 0.472 481 N N 5.188 123.189 118.700 -1.164 0.000 2.719 481 N HA 0.148 4.888 4.740 0.000 0.000 0.243 481 N C 0.723 175.486 175.510 -1.245 0.000 1.104 481 N CA 0.386 52.910 53.050 -0.877 0.000 0.981 481 N CB 0.884 39.047 38.487 -0.540 0.000 1.290 481 N HN 0.809 nan 8.380 nan 0.000 0.513 482 A N 2.626 124.820 122.820 -1.045 0.000 2.245 482 A HA -0.095 4.225 4.320 0.000 0.000 0.217 482 A C 1.851 179.183 177.584 -0.421 0.000 1.171 482 A CA 1.735 53.323 52.037 -0.748 0.000 0.688 482 A CB -0.213 18.627 19.000 -0.267 0.000 0.781 482 A HN 0.659 nan 8.150 nan 0.000 0.479 483 A N -1.133 121.463 122.820 -0.374 0.000 2.014 483 A HA 0.146 4.466 4.320 0.000 0.000 0.210 483 A C 2.198 179.687 177.584 -0.158 0.000 1.188 483 A CA 1.722 53.642 52.037 -0.195 0.000 0.731 483 A CB -0.422 18.484 19.000 -0.157 0.000 0.858 483 A HN 0.718 nan 8.150 nan 0.000 0.464 484 T N -5.201 109.211 114.554 -0.238 0.000 2.990 484 T HA 0.407 4.757 4.350 0.000 0.000 0.250 484 T C 1.282 175.915 174.700 -0.112 0.000 1.041 484 T CA 1.162 63.177 62.100 -0.141 0.000 1.010 484 T CB 0.176 68.963 68.868 -0.135 0.000 1.003 484 T HN 1.686 nan 8.240 nan 0.000 0.499 485 G N 1.361 109.969 108.800 -0.320 0.000 2.212 485 G HA2 -0.155 3.805 3.960 0.000 0.000 0.255 485 G HA3 -0.155 3.805 3.960 0.000 0.000 0.255 485 G C -0.464 174.465 174.900 0.049 0.000 1.062 485 G CA -0.006 45.007 45.100 -0.145 0.000 0.815 485 G HN 0.693 nan 8.290 nan 0.000 0.497 486 E N -1.121 118.948 120.200 -0.219 0.000 2.314 486 E HA 0.545 4.895 4.350 0.000 0.000 0.272 486 E C -0.780 175.803 176.600 -0.029 0.000 0.884 486 E CA -1.052 55.388 56.400 0.067 0.000 0.753 486 E CB 1.411 31.143 29.700 0.052 0.000 1.213 486 E HN 0.051 nan 8.360 nan 0.000 0.432 487 F N 1.877 121.901 119.950 0.124 0.000 2.456 487 F HA 0.279 4.806 4.527 -0.000 0.000 0.358 487 F C 0.682 176.514 175.800 0.053 0.000 1.095 487 F CA -0.226 57.792 58.000 0.030 0.000 1.216 487 F CB 0.818 39.850 39.000 0.053 0.000 1.125 487 F HN 0.205 nan 8.300 nan 0.000 0.549 488 V N -0.716 119.236 119.914 0.064 0.000 3.130 488 V HA 0.473 4.593 4.120 0.000 0.000 0.308 488 V C -1.150 175.024 176.094 0.133 0.000 1.413 488 V CA -1.137 61.239 62.300 0.127 0.000 1.053 488 V CB 1.826 33.658 31.823 0.014 0.000 1.075 488 V HN 0.557 nan 8.190 nan 0.000 0.465 489 D N 1.478 121.956 120.400 0.129 0.000 2.393 489 D HA 0.208 4.848 4.640 0.000 0.000 0.232 489 D C 1.212 177.532 176.300 0.033 0.000 1.192 489 D CA -0.399 53.669 54.000 0.113 0.000 0.882 489 D CB 1.333 42.190 40.800 0.094 0.000 1.038 489 D HN 0.529 nan 8.370 nan 0.000 0.499 490 M N 3.054 122.657 119.600 0.004 0.000 2.089 490 M HA -0.197 4.283 4.480 0.000 0.000 0.257 490 M C 2.047 178.332 176.300 -0.024 0.000 1.071 490 M CA 1.172 56.450 55.300 -0.037 0.000 1.096 490 M CB -0.977 31.596 32.600 -0.046 0.000 1.330 490 M HN 0.314 nan 8.290 nan 0.000 0.403 491 V N -0.005 119.907 119.914 -0.002 0.000 2.261 491 V HA -0.256 3.864 4.120 0.000 0.000 0.246 491 V C 2.404 178.496 176.094 -0.003 0.000 1.047 491 V CA 2.161 64.460 62.300 -0.002 0.000 1.015 491 V CB -0.834 30.994 31.823 0.008 0.000 0.642 491 V HN 0.526 nan 8.190 nan 0.000 0.446 492 E N 0.260 120.464 120.200 0.007 0.000 2.160 492 E HA -0.225 4.125 4.350 0.000 0.000 0.195 492 E C 2.043 178.640 176.600 -0.005 0.000 0.991 492 E CA 1.321 57.725 56.400 0.006 0.000 0.810 492 E CB -0.173 29.539 29.700 0.019 0.000 0.742 492 E HN 0.583 nan 8.360 nan 0.000 0.466 493 A N -0.025 122.786 122.820 -0.014 0.000 2.167 493 A HA 0.163 4.483 4.320 0.000 0.000 0.214 493 A C 1.747 179.306 177.584 -0.041 0.000 1.151 493 A CA 1.053 53.070 52.037 -0.033 0.000 0.735 493 A CB -0.363 18.604 19.000 -0.055 0.000 0.802 493 A HN 0.484 nan 8.150 nan 0.000 0.467 494 G N -1.039 107.741 108.800 -0.034 0.000 2.132 494 G HA2 -0.202 3.758 3.960 0.000 0.000 0.234 494 G HA3 -0.202 3.758 3.960 0.000 0.000 0.234 494 G C 0.066 174.938 174.900 -0.047 0.000 0.989 494 G CA 0.198 45.277 45.100 -0.035 0.000 0.676 494 G HN 0.526 nan 8.290 nan 0.000 0.522 495 I N 1.550 122.086 120.570 -0.056 0.000 2.317 495 I HA 0.429 4.599 4.170 0.000 0.000 0.286 495 I C 0.634 176.719 176.117 -0.053 0.000 1.119 495 I CA -0.906 60.353 61.300 -0.068 0.000 1.228 495 I CB 0.697 38.637 38.000 -0.099 0.000 1.476 495 I HN 0.161 nan 8.210 nan 0.000 0.514 496 V N 0.619 120.508 119.914 -0.042 0.000 2.960 496 V HA 0.699 4.819 4.120 0.000 0.000 0.315 496 V C -0.889 175.188 176.094 -0.029 0.000 1.087 496 V CA -0.653 61.629 62.300 -0.031 0.000 0.982 496 V CB 2.679 34.489 31.823 -0.021 0.000 1.039 496 V HN 0.243 nan 8.190 nan 0.000 0.437 497 D N 1.856 122.242 120.400 -0.023 0.000 2.738 497 D HA 0.482 5.122 4.640 0.000 0.000 0.237 497 D C -3.012 173.280 176.300 -0.014 0.000 1.123 497 D CA -1.333 52.655 54.000 -0.020 0.000 0.856 497 D CB 2.606 43.394 40.800 -0.020 0.000 1.552 497 D HN 0.492 nan 8.370 nan 0.000 0.480 498 P HA 0.034 nan 4.420 nan 0.000 0.264 498 P C 0.531 177.827 177.300 -0.006 0.000 1.229 498 P CA -0.047 63.048 63.100 -0.008 0.000 0.780 498 P CB 0.616 32.311 31.700 -0.009 0.000 0.808 499 A N 4.940 127.758 122.820 -0.004 0.000 2.042 499 A HA -0.257 4.063 4.320 0.000 0.000 0.222 499 A C 2.226 179.809 177.584 -0.001 0.000 1.167 499 A CA 1.767 53.803 52.037 -0.001 0.000 0.649 499 A CB -0.968 18.032 19.000 0.001 0.000 0.809 499 A HN 0.518 nan 8.150 nan 0.000 0.457 500 K N -0.066 120.334 120.400 -0.001 0.000 2.026 500 K HA -0.130 4.190 4.320 0.000 0.000 0.208 500 K C 2.028 178.628 176.600 -0.000 0.000 1.048 500 K CA 1.893 58.180 56.287 -0.000 0.000 0.929 500 K CB -0.450 32.050 32.500 -0.000 0.000 0.713 500 K HN 0.470 nan 8.250 nan 0.000 0.439 501 V N -0.855 119.058 119.914 -0.002 0.000 2.255 501 V HA -0.226 3.894 4.120 0.000 0.000 0.247 501 V C 2.029 178.123 176.094 -0.001 0.000 1.051 501 V CA 2.342 64.641 62.300 -0.002 0.000 1.018 501 V CB -1.425 30.396 31.823 -0.004 0.000 0.641 501 V HN 0.270 nan 8.190 nan 0.000 0.445 502 T N 0.523 115.076 114.554 -0.002 0.000 2.570 502 T HA -0.291 4.059 4.350 0.000 0.000 0.266 502 T C 2.013 176.714 174.700 0.001 0.000 1.071 502 T CA 2.762 64.862 62.100 -0.001 0.000 1.172 502 T CB -0.491 68.376 68.868 -0.002 0.000 0.864 502 T HN 0.622 nan 8.240 nan 0.000 0.421 503 R N 0.678 121.179 120.500 0.002 0.000 2.113 503 R HA -0.151 4.189 4.340 0.000 0.000 0.244 503 R C 2.567 178.869 176.300 0.003 0.000 1.142 503 R CA 2.035 58.137 56.100 0.003 0.000 0.953 503 R CB -0.452 29.850 30.300 0.003 0.000 0.860 503 R HN 0.294 nan 8.270 nan 0.000 0.438 504 S N 0.504 116.206 115.700 0.003 0.000 2.343 504 S HA -0.140 4.330 4.470 0.000 0.000 0.219 504 S C 2.072 176.675 174.600 0.004 0.000 1.033 504 S CA 1.167 59.370 58.200 0.004 0.000 1.014 504 S CB -0.478 62.725 63.200 0.004 0.000 0.915 504 S HN 0.598 nan 8.310 nan 0.000 0.435 505 A N 1.902 124.724 122.820 0.004 0.000 1.881 505 A HA -0.194 4.126 4.320 0.000 0.000 0.219 505 A C 2.179 179.766 177.584 0.005 0.000 1.215 505 A CA 2.065 54.105 52.037 0.004 0.000 0.648 505 A CB -1.100 17.901 19.000 0.003 0.000 0.832 505 A HN 0.434 nan 8.150 nan 0.000 0.455 506 L N -0.190 121.035 121.223 0.004 0.000 2.012 506 L HA -0.220 4.120 4.340 0.000 0.000 0.210 506 L C 2.441 179.314 176.870 0.005 0.000 1.073 506 L CA 2.585 57.428 54.840 0.005 0.000 0.748 506 L CB -1.035 41.027 42.059 0.005 0.000 0.891 506 L HN 0.562 nan 8.230 nan 0.000 0.431 507 Q N -0.634 119.169 119.800 0.005 0.000 2.124 507 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 507 Q C 1.935 177.938 176.000 0.005 0.000 0.977 507 Q CA 1.591 57.397 55.803 0.005 0.000 0.850 507 Q CB -0.248 28.492 28.738 0.005 0.000 0.901 507 Q HN 0.624 nan 8.270 nan 0.000 0.429 508 N N 0.494 119.197 118.700 0.005 0.000 2.171 508 N HA -0.072 4.668 4.740 0.000 0.000 0.184 508 N C 1.711 177.225 175.510 0.005 0.000 1.021 508 N CA 1.191 54.244 53.050 0.005 0.000 0.854 508 N CB -0.281 38.210 38.487 0.006 0.000 0.994 508 N HN 0.195 nan 8.380 nan 0.000 0.426 509 A N 1.443 124.266 122.820 0.005 0.000 1.851 509 A HA -0.035 4.285 4.320 0.000 0.000 0.216 509 A C 2.355 179.942 177.584 0.005 0.000 1.195 509 A CA 2.201 54.241 52.037 0.005 0.000 0.622 509 A CB -1.031 17.973 19.000 0.005 0.000 0.831 509 A HN 0.311 nan 8.150 nan 0.000 0.444 510 A N -1.037 121.787 122.820 0.005 0.000 2.070 510 A HA -0.072 4.248 4.320 0.000 0.000 0.220 510 A C 2.405 179.992 177.584 0.005 0.000 1.159 510 A CA 2.126 54.166 52.037 0.005 0.000 0.656 510 A CB -0.777 18.227 19.000 0.005 0.000 0.800 510 A HN 0.564 nan 8.150 nan 0.000 0.453 511 S N -0.535 115.168 115.700 0.005 0.000 2.345 511 S HA -0.084 4.386 4.470 0.000 0.000 0.220 511 S C 1.890 176.492 174.600 0.004 0.000 1.031 511 S CA 1.347 59.549 58.200 0.004 0.000 0.996 511 S CB -0.308 62.894 63.200 0.004 0.000 0.882 511 S HN 0.404 nan 8.310 nan 0.000 0.445 512 I N 1.686 122.258 120.570 0.004 0.000 2.286 512 I HA -0.001 4.169 4.170 0.000 0.000 0.245 512 I C 2.724 178.843 176.117 0.003 0.000 1.104 512 I CA 1.290 62.592 61.300 0.003 0.000 1.397 512 I CB -2.159 35.843 38.000 0.003 0.000 1.072 512 I HN 0.431 nan 8.210 nan 0.000 0.417 513 G N 1.319 110.121 108.800 0.004 0.000 2.586 513 G HA2 -0.326 3.634 3.960 0.000 0.000 0.218 513 G HA3 -0.326 3.634 3.960 0.000 0.000 0.218 513 G C 1.870 176.773 174.900 0.004 0.000 1.216 513 G CA 1.616 46.718 45.100 0.004 0.000 0.786 513 G HN 0.477 nan 8.290 nan 0.000 0.583 514 A N 0.306 123.129 122.820 0.004 0.000 1.917 514 A HA -0.059 4.261 4.320 0.000 0.000 0.219 514 A C 2.443 180.029 177.584 0.004 0.000 1.182 514 A CA 1.721 53.760 52.037 0.004 0.000 0.633 514 A CB -0.472 18.530 19.000 0.005 0.000 0.819 514 A HN 0.326 nan 8.150 nan 0.000 0.448 515 L N -0.319 120.905 121.223 0.003 0.000 1.990 515 L HA -0.224 4.116 4.340 0.000 0.000 0.213 515 L C 2.586 179.456 176.870 0.000 0.000 1.072 515 L CA 2.080 56.920 54.840 0.001 0.000 0.755 515 L CB -1.274 40.785 42.059 0.000 0.000 0.889 515 L HN 0.460 nan 8.230 nan 0.000 0.432 516 I N -0.176 120.395 120.570 0.001 0.000 2.118 516 I HA -0.382 3.788 4.170 0.000 0.000 0.241 516 I C 2.449 178.567 176.117 0.002 0.000 1.070 516 I CA 1.253 62.553 61.300 0.000 0.000 1.327 516 I CB -0.389 37.612 38.000 0.002 0.000 1.034 516 I HN 0.257 nan 8.210 nan 0.000 0.405 517 L N 0.431 121.656 121.223 0.004 0.000 2.351 517 L HA -0.197 4.143 4.340 0.000 0.000 0.220 517 L C 2.245 179.119 176.870 0.007 0.000 1.127 517 L CA 1.716 56.560 54.840 0.006 0.000 0.786 517 L CB -1.351 40.713 42.059 0.007 0.000 0.914 517 L HN 0.496 nan 8.230 nan 0.000 0.443 518 T N -5.206 109.351 114.554 0.005 0.000 3.122 518 T HA 0.075 4.425 4.350 0.000 0.000 0.250 518 T C 0.736 175.438 174.700 0.002 0.000 1.067 518 T CA -0.308 61.795 62.100 0.005 0.000 0.966 518 T CB -0.386 68.484 68.868 0.004 0.000 1.002 518 T HN 0.056 nan 8.240 nan 0.000 0.542 519 T N 2.541 117.095 114.554 -0.000 0.000 2.919 519 T HA 0.348 4.698 4.350 0.000 0.000 0.302 519 T C 0.583 175.284 174.700 0.000 0.000 1.031 519 T CA -0.238 61.857 62.100 -0.009 0.000 1.127 519 T CB 1.437 70.297 68.868 -0.013 0.000 0.952 519 T HN 0.313 nan 8.240 nan 0.000 0.540 520 E N 0.304 120.498 120.200 -0.009 0.000 2.712 520 E HA 0.479 4.829 4.350 0.000 0.000 0.221 520 E C -0.341 176.247 176.600 -0.021 0.000 0.943 520 E CA -0.070 56.344 56.400 0.023 0.000 1.259 520 E CB 0.642 30.372 29.700 0.049 0.000 1.167 520 E HN 0.813 nan 8.360 nan 0.000 0.569 521 A N -0.695 122.050 122.820 -0.126 0.000 2.586 521 A HA 0.711 5.031 4.320 0.000 0.000 0.291 521 A C -1.652 175.789 177.584 -0.238 0.000 1.062 521 A CA -0.407 51.428 52.037 -0.337 0.000 0.666 521 A CB 1.505 20.178 19.000 -0.545 0.000 1.281 521 A HN 0.078 nan 8.150 nan 0.000 0.421 522 V N 0.254 120.000 119.914 -0.280 0.000 2.891 522 V HA 0.529 4.649 4.120 0.000 0.000 0.304 522 V C -1.057 174.934 176.094 -0.171 0.000 1.171 522 V CA -0.524 61.678 62.300 -0.164 0.000 0.943 522 V CB 2.069 33.834 31.823 -0.097 0.000 1.037 522 V HN 0.941 nan 8.190 nan 0.000 0.427 523 V N 3.981 123.822 119.914 -0.121 0.000 2.304 523 V HA 0.855 4.975 4.120 0.000 0.000 0.278 523 V C 0.361 176.410 176.094 -0.075 0.000 1.018 523 V CA -0.059 62.179 62.300 -0.102 0.000 0.814 523 V CB 1.074 32.842 31.823 -0.090 0.000 1.021 523 V HN 1.043 nan 8.190 nan 0.000 0.440 524 A N 3.925 126.699 122.820 -0.078 0.000 2.347 524 A HA 0.891 5.211 4.320 0.000 0.000 0.301 524 A C -0.303 177.179 177.584 -0.170 0.000 1.163 524 A CA -0.732 51.250 52.037 -0.091 0.000 0.860 524 A CB 0.960 19.935 19.000 -0.041 0.000 1.367 524 A HN 0.549 nan 8.150 nan 0.000 0.461 525 E N 1.172 121.167 120.200 -0.342 0.000 2.316 525 E HA 0.141 4.491 4.350 0.000 0.000 0.275 525 E C -0.442 175.882 176.600 -0.460 0.000 1.029 525 E CA -0.143 55.982 56.400 -0.458 0.000 0.871 525 E CB 1.012 30.317 29.700 -0.659 0.000 1.022 525 E HN 0.485 nan 8.360 nan 0.000 0.418 526 K N 4.687 124.953 120.400 -0.224 0.000 2.451 526 K HA 0.074 4.394 4.320 0.000 0.000 0.280 526 K C -1.936 174.614 176.600 -0.084 0.000 1.020 526 K CA -1.072 55.146 56.287 -0.115 0.000 1.008 526 K CB 0.344 32.809 32.500 -0.059 0.000 0.917 526 K HN 0.242 nan 8.250 nan 0.000 0.478 527 P HA 0.003 nan 4.420 nan 0.000 0.273 527 P C -0.907 176.427 177.300 0.057 0.000 1.250 527 P CA -0.046 63.111 63.100 0.096 0.000 0.793 527 P CB 0.480 32.245 31.700 0.108 0.000 1.011 528 E N 0.000 120.241 120.200 0.068 0.000 2.725 528 E HA 0.000 4.350 4.350 0.000 0.000 0.291 528 E CA 0.000 56.425 56.400 0.041 0.000 0.976 528 E CB 0.000 29.718 29.700 0.029 0.000 0.812 528 E HN 0.000 nan 8.360 nan 0.000 0.440