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 3mkq_1_C DATA FIRST_RESID 2 DATA SEQUENCE KLDIKKTFSN RSDRVKGIDF HPTEPWVLTT LYSGRVEIWN YETQVEVRSI DATA SEQUENCE QVTETPVRAG KFIARKNWII VGSDDFRIRV FNYNTGEKVV DFEAHPDYIR DATA SEQUENCE SIAVHPTKPY VLSGSDDLTV KLWNWENNWA LEQTFEGHEH FVMCVAFNPK DATA SEQUENCE DPSTFASGCL DRTVKVWSLG QSTPNFTLTT GQERGVNYVD YYPLPDKPYM DATA SEQUENCE ITASDDLTIK IWDYQTKSCV ATLEGHMSNV SFAVFHPTLP IIISGSEDGT DATA SEQUENCE LKIWNSSTYK VEKTLNVGLE RSWCIATHPT GRKNYIASGF DNGFTVLSLG DATA SEQUENCE NDEPTLSLDP VGKLVWSGGK NAAASDIFTA VIRGNEEVEQ DEPLSLQTKE DATA SEQUENCE LGSVDVFPQS LAHSPNGRFV TVVGDGEYVI YTALAWRNKA FGKCQDFVWG DATA SEQUENCE PDSNSYALID ETGQIKYYKN FKEVTSWSVP MHSAIDRLFS GALLGVKSDG DATA SEQUENCE FVYFFDWDNG TLVRRIDVNA KDVIWSDNGE LVMIVNTNSN XXEASGYTLL DATA SEQUENCE FNKDAYLEAA NNGNIDDSEG VDEAFDVLYE LSESITSGKW VGDVFIFTTA DATA SEQUENCE TNRLNYFVGG KTYNLAHYTK EMYLLGYLAR DNKVYLADRE VHVYGYEISL DATA SEQUENCE EVLEFQTLTL RGEIEEAIEN VLPNVEGKDS LTKIARFLEG QEYYEEALNI DATA SEQUENCE SPDQDQKFEL ALKVGQLTLA RDLLTDESAE MKWRALGDAS LQRFNFKLAI DATA SEQUENCE EAFTNAHDLE SLFLLHSSFN NKEGLVTLAK DAETTGKFNL AFNAYWIAGD DATA SEQUENCE IQGAKDLLIK SQRFSEAAFL GSTYGLGDNE VNDIVTKWKE NLILNGKNTV DATA SEQUENCE SERVCGAEGL PGS 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.609 176.600 0.014 0.000 0.988 2 K CA 0.000 56.295 56.287 0.014 0.000 0.838 2 K CB 0.000 32.514 32.500 0.023 0.000 1.064 3 L N 1.884 123.111 121.223 0.007 0.000 2.346 3 L HA 0.365 4.705 4.340 -0.000 0.000 0.276 3 L C -0.361 176.519 176.870 0.017 0.000 1.006 3 L CA -0.754 54.090 54.840 0.007 0.000 0.817 3 L CB 1.666 43.724 42.059 -0.003 0.000 1.272 3 L HN 0.528 nan 8.230 nan 0.000 0.421 4 D N 3.579 123.992 120.400 0.022 0.000 2.563 4 D HA 0.216 4.856 4.640 -0.000 0.000 0.222 4 D C -0.161 176.160 176.300 0.036 0.000 1.145 4 D CA -0.377 53.641 54.000 0.029 0.000 1.001 4 D CB 0.214 41.034 40.800 0.032 0.000 1.049 4 D HN 0.067 nan 8.370 nan 0.000 0.515 5 I N 2.564 123.158 120.570 0.039 0.000 2.533 5 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 5 I C 0.691 176.845 176.117 0.062 0.000 1.109 5 I CA 0.054 61.387 61.300 0.055 0.000 1.412 5 I CB 0.276 38.307 38.000 0.053 0.000 1.396 5 I HN 0.159 nan 8.210 nan 0.000 0.543 6 K N 5.170 125.620 120.400 0.084 0.000 2.427 6 K HA 0.319 4.639 4.320 -0.000 0.000 0.252 6 K C -0.363 176.311 176.600 0.123 0.000 0.931 6 K CA -0.913 55.430 56.287 0.093 0.000 0.793 6 K CB 2.574 35.133 32.500 0.097 0.000 1.211 6 K HN 0.349 nan 8.250 nan 0.000 0.426 7 K N 2.339 122.801 120.400 0.104 0.000 2.183 7 K HA 0.005 4.325 4.320 -0.000 0.000 0.272 7 K C 1.077 177.771 176.600 0.156 0.000 1.113 7 K CA 0.062 56.414 56.287 0.109 0.000 0.949 7 K CB 0.447 32.977 32.500 0.050 0.000 1.365 7 K HN 0.660 nan 8.250 nan 0.000 0.420 8 T N 3.295 117.987 114.554 0.231 0.000 2.915 8 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 8 T C 0.067 174.994 174.700 0.378 0.000 1.071 8 T CA 0.720 63.006 62.100 0.309 0.000 1.132 8 T CB -0.142 68.988 68.868 0.438 0.000 0.878 8 T HN 0.515 nan 8.240 nan 0.000 0.479 9 F N -0.044 119.953 119.950 0.079 0.000 2.686 9 F HA 0.459 4.986 4.527 -0.000 0.000 0.315 9 F C -1.490 174.227 175.800 -0.139 0.000 1.088 9 F CA -0.926 57.075 58.000 0.003 0.000 1.034 9 F CB 0.972 40.028 39.000 0.093 0.000 1.280 9 F HN -0.092 nan 8.300 nan 0.000 0.463 10 S N 3.637 118.757 115.700 -0.967 0.000 2.568 10 S HA 0.658 5.128 4.470 -0.000 0.000 0.293 10 S C -1.695 171.946 174.600 -1.598 0.000 1.089 10 S CA -0.692 56.861 58.200 -1.077 0.000 0.945 10 S CB 2.047 64.913 63.200 -0.556 0.000 1.077 10 S HN 0.704 nan 8.310 nan 0.000 0.485 11 N N 0.894 118.705 118.700 -1.481 0.000 2.367 11 N HA 0.375 5.115 4.740 -0.000 0.000 0.278 11 N C -1.608 173.460 175.510 -0.737 0.000 1.117 11 N CA -0.528 51.775 53.050 -1.245 0.000 0.867 11 N CB 1.212 38.618 38.487 -1.801 0.000 1.649 11 N HN 0.464 nan 8.380 nan 0.000 0.479 12 R N 1.315 121.567 120.500 -0.412 0.000 2.474 12 R HA 0.749 5.089 4.340 -0.000 0.000 0.295 12 R C -0.561 175.688 176.300 -0.085 0.000 0.980 12 R CA -0.518 55.457 56.100 -0.209 0.000 0.934 12 R CB 1.434 31.647 30.300 -0.144 0.000 1.101 12 R HN 0.824 nan 8.270 nan 0.000 0.469 13 S N 0.326 116.024 115.700 -0.004 0.000 2.694 13 S HA 0.228 4.698 4.470 -0.000 0.000 0.273 13 S C -1.268 173.381 174.600 0.083 0.000 1.180 13 S CA -1.198 57.045 58.200 0.073 0.000 0.864 13 S CB 0.881 64.170 63.200 0.149 0.000 1.198 13 S HN 0.381 nan 8.310 nan 0.000 0.499 14 D N 0.942 121.399 120.400 0.096 0.000 2.363 14 D HA 0.241 4.881 4.640 -0.000 0.000 0.240 14 D C 0.557 176.926 176.300 0.116 0.000 1.236 14 D CA -0.072 53.983 54.000 0.092 0.000 0.927 14 D CB 0.201 41.055 40.800 0.091 0.000 1.150 14 D HN 0.597 nan 8.370 nan 0.000 0.458 15 R N 0.301 120.862 120.500 0.102 0.000 2.523 15 R HA 0.064 4.404 4.340 -0.000 0.000 0.281 15 R C -0.523 175.849 176.300 0.119 0.000 0.969 15 R CA 0.025 56.192 56.100 0.112 0.000 1.093 15 R CB 0.115 30.392 30.300 -0.038 0.000 0.917 15 R HN 0.226 nan 8.270 nan 0.000 0.408 16 V N 4.528 124.542 119.914 0.167 0.000 2.370 16 V HA 0.348 4.468 4.120 -0.000 0.000 0.283 16 V C -0.047 176.098 176.094 0.085 0.000 1.023 16 V CA -0.587 61.783 62.300 0.116 0.000 0.857 16 V CB 1.790 33.694 31.823 0.135 0.000 0.985 16 V HN 0.849 nan 8.190 nan 0.000 0.443 17 K N 4.762 125.172 120.400 0.016 0.000 2.352 17 K HA 0.392 4.712 4.320 -0.000 0.000 0.194 17 K C 0.702 177.310 176.600 0.014 0.000 1.038 17 K CA 0.936 57.219 56.287 -0.007 0.000 1.023 17 K CB 0.769 33.234 32.500 -0.059 0.000 0.840 17 K HN 0.901 nan 8.250 nan 0.000 0.519 18 G N 0.592 109.382 108.800 -0.016 0.000 2.612 18 G HA2 0.715 4.675 3.960 -0.000 0.000 0.298 18 G HA3 0.715 4.675 3.960 -0.000 0.000 0.298 18 G C -1.518 173.333 174.900 -0.081 0.000 1.336 18 G CA -0.437 44.644 45.100 -0.032 0.000 0.953 18 G HN 0.057 nan 8.290 nan 0.000 0.482 19 I N 0.260 120.772 120.570 -0.097 0.000 2.841 19 I HA 0.633 4.803 4.170 -0.000 0.000 0.298 19 I C -2.249 173.799 176.117 -0.115 0.000 1.304 19 I CA -0.676 60.525 61.300 -0.165 0.000 1.019 19 I CB 2.747 40.616 38.000 -0.219 0.000 1.282 19 I HN 0.545 nan 8.210 nan 0.000 0.432 20 D N 4.324 124.654 120.400 -0.117 0.000 2.803 20 D HA 0.411 5.051 4.640 -0.000 0.000 0.218 20 D C -1.748 174.670 176.300 0.198 0.000 1.245 20 D CA -0.117 53.922 54.000 0.065 0.000 0.821 20 D CB 1.735 42.615 40.800 0.132 0.000 1.626 20 D HN 0.219 nan 8.370 nan 0.000 0.487 21 F N 1.690 121.814 119.950 0.289 0.000 2.394 21 F HA 0.307 4.834 4.527 -0.000 0.000 0.340 21 F C 0.688 176.583 175.800 0.158 0.000 1.105 21 F CA -0.624 57.536 58.000 0.266 0.000 1.124 21 F CB 1.176 40.232 39.000 0.094 0.000 1.145 21 F HN 0.353 nan 8.300 nan 0.000 0.505 22 H N 4.682 123.770 119.070 0.030 0.000 2.652 22 H HA 0.191 4.747 4.556 -0.000 0.000 0.349 22 H C -1.843 173.358 175.328 -0.212 0.000 1.099 22 H CA -1.513 54.202 56.048 -0.554 0.000 1.417 22 H CB 1.347 30.532 29.762 -0.962 0.000 1.457 22 H HN 0.286 nan 8.280 nan 0.000 0.568 23 P HA -0.097 nan 4.420 nan 0.000 0.220 23 P C 0.580 177.956 177.300 0.126 0.000 1.148 23 P CA 1.785 64.818 63.100 -0.111 0.000 0.803 23 P CB 0.459 32.073 31.700 -0.144 0.000 0.782 24 T N -6.844 107.832 114.554 0.203 0.000 3.041 24 T HA 0.253 4.603 4.350 -0.000 0.000 0.276 24 T C 0.289 174.933 174.700 -0.093 0.000 0.948 24 T CA -0.159 62.001 62.100 0.099 0.000 0.885 24 T CB 0.018 68.916 68.868 0.051 0.000 1.175 24 T HN -0.172 nan 8.240 nan 0.000 0.529 25 E N 2.489 122.503 120.200 -0.310 0.000 2.191 25 E HA 0.500 4.850 4.350 -0.000 0.000 0.274 25 E C -2.805 173.430 176.600 -0.609 0.000 0.948 25 E CA -2.727 53.126 56.400 -0.910 0.000 0.802 25 E CB 1.964 30.306 29.700 -2.264 0.000 1.137 25 E HN -0.045 nan 8.360 nan 0.000 0.397 26 P HA 0.093 nan 4.420 nan 0.000 0.238 26 P C -1.143 175.819 177.300 -0.564 0.000 1.714 26 P CA 0.023 62.822 63.100 -0.501 0.000 0.908 26 P CB -0.142 31.274 31.700 -0.474 0.000 1.893 27 W N -0.190 120.972 121.300 -0.230 0.000 2.647 27 W HA 0.631 5.291 4.660 -0.000 0.000 0.353 27 W C -0.363 176.390 176.519 0.391 0.000 1.080 27 W CA -1.105 56.232 57.345 -0.014 0.000 1.208 27 W CB 1.027 30.413 29.460 -0.122 0.000 1.396 27 W HN -0.318 nan 8.180 nan 0.000 0.573 28 V N 3.748 124.054 119.914 0.653 0.000 2.760 28 V HA 0.585 4.705 4.120 -0.000 0.000 0.309 28 V C -1.483 174.771 176.094 0.267 0.000 1.077 28 V CA -0.990 61.520 62.300 0.351 0.000 0.910 28 V CB 2.116 33.930 31.823 -0.015 0.000 1.008 28 V HN 0.396 nan 8.190 nan 0.000 0.424 29 L N 6.003 127.308 121.223 0.136 0.000 2.317 29 L HA 0.948 5.288 4.340 -0.000 0.000 0.281 29 L C -0.094 176.642 176.870 -0.223 0.000 1.024 29 L CA 0.509 55.266 54.840 -0.138 0.000 0.810 29 L CB 2.109 43.827 42.059 -0.567 0.000 1.240 29 L HN 0.897 nan 8.230 nan 0.000 0.427 30 T N 0.051 114.487 114.554 -0.196 0.000 2.881 30 T HA 0.653 5.003 4.350 -0.000 0.000 0.290 30 T C -0.360 174.274 174.700 -0.110 0.000 1.000 30 T CA -0.315 61.672 62.100 -0.189 0.000 0.978 30 T CB 1.263 69.983 68.868 -0.246 0.000 0.997 30 T HN 0.787 nan 8.240 nan 0.000 0.443 31 T N 2.324 116.822 114.554 -0.095 0.000 2.771 31 T HA 0.688 5.038 4.350 -0.000 0.000 0.281 31 T C -0.003 174.672 174.700 -0.042 0.000 0.982 31 T CA -0.956 61.095 62.100 -0.082 0.000 0.978 31 T CB 0.571 69.382 68.868 -0.094 0.000 0.930 31 T HN 0.656 nan 8.240 nan 0.000 0.447 32 L N 2.489 123.693 121.223 -0.032 0.000 2.358 32 L HA 0.407 4.747 4.340 -0.000 0.000 0.268 32 L C 1.144 178.009 176.870 -0.008 0.000 1.032 32 L CA -1.313 53.534 54.840 0.012 0.000 0.805 32 L CB 0.798 42.880 42.059 0.040 0.000 1.253 32 L HN 0.666 nan 8.230 nan 0.000 0.452 33 Y N 0.852 121.090 120.300 -0.102 0.000 2.497 33 Y HA -0.211 4.339 4.550 -0.000 0.000 0.292 33 Y C 2.525 178.355 175.900 -0.116 0.000 1.137 33 Y CA 1.592 59.608 58.100 -0.140 0.000 1.285 33 Y CB 0.182 38.551 38.460 -0.151 0.000 0.991 33 Y HN 0.735 nan 8.280 nan 0.000 0.556 34 S N -1.945 113.746 115.700 -0.014 0.000 2.496 34 S HA 0.242 4.712 4.470 -0.000 0.000 0.224 34 S C 1.796 176.326 174.600 -0.116 0.000 0.996 34 S CA 0.572 58.739 58.200 -0.055 0.000 0.927 34 S CB -0.048 63.155 63.200 0.005 0.000 0.774 34 S HN 0.664 nan 8.310 nan 0.000 0.524 35 G N 0.681 109.400 108.800 -0.135 0.000 2.211 35 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.201 35 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.201 35 G C 0.111 174.939 174.900 -0.121 0.000 0.997 35 G CA -0.474 44.540 45.100 -0.145 0.000 0.652 35 G HN 0.394 nan 8.290 nan 0.000 0.500 36 R N 0.389 120.834 120.500 -0.092 0.000 2.459 36 R HA 0.625 4.965 4.340 -0.000 0.000 0.281 36 R C 0.254 176.494 176.300 -0.100 0.000 1.050 36 R CA 0.252 56.298 56.100 -0.090 0.000 1.055 36 R CB 1.539 31.815 30.300 -0.040 0.000 1.045 36 R HN 0.926 nan 8.270 nan 0.000 0.495 37 V N -1.064 118.765 119.914 -0.141 0.000 2.638 37 V HA 0.627 4.747 4.120 -0.000 0.000 0.306 37 V C -0.463 175.544 176.094 -0.145 0.000 1.052 37 V CA -0.813 61.395 62.300 -0.153 0.000 0.885 37 V CB 2.311 33.998 31.823 -0.227 0.000 0.999 37 V HN 0.724 nan 8.190 nan 0.000 0.424 38 E N 4.078 124.229 120.200 -0.083 0.000 2.378 38 E HA 0.755 5.105 4.350 -0.000 0.000 0.265 38 E C -1.370 175.184 176.600 -0.077 0.000 0.932 38 E CA -0.999 55.359 56.400 -0.069 0.000 0.795 38 E CB 3.227 33.005 29.700 0.130 0.000 1.296 38 E HN 0.736 nan 8.360 nan 0.000 0.438 39 I N 1.063 121.527 120.570 -0.176 0.000 2.499 39 I HA 0.381 4.551 4.170 -0.000 0.000 0.288 39 I C -1.446 174.550 176.117 -0.203 0.000 1.048 39 I CA -0.630 60.584 61.300 -0.143 0.000 1.062 39 I CB 1.264 39.071 38.000 -0.321 0.000 1.238 39 I HN 0.392 nan 8.210 nan 0.000 0.426 40 W N 4.062 125.356 121.300 -0.010 0.000 2.819 40 W HA 0.370 5.030 4.660 -0.000 0.000 0.337 40 W C 0.005 176.573 176.519 0.082 0.000 1.077 40 W CA -0.541 56.858 57.345 0.091 0.000 1.226 40 W CB 1.477 31.209 29.460 0.453 0.000 1.419 40 W HN 0.363 nan 8.180 nan 0.000 0.502 41 N N 2.286 121.113 118.700 0.213 0.000 2.469 41 N HA 0.041 4.781 4.740 -0.000 0.000 0.239 41 N C 0.556 176.073 175.510 0.012 0.000 1.053 41 N CA -0.431 52.703 53.050 0.139 0.000 0.937 41 N CB 0.417 38.971 38.487 0.112 0.000 1.163 41 N HN 0.551 nan 8.380 nan 0.000 0.509 42 Y N 2.055 122.452 120.300 0.163 0.000 2.578 42 Y HA 0.217 4.767 4.550 -0.000 0.000 0.297 42 Y C 1.086 176.932 175.900 -0.090 0.000 1.176 42 Y CA 0.118 58.204 58.100 -0.024 0.000 1.315 42 Y CB -0.146 38.481 38.460 0.278 0.000 1.031 42 Y HN 0.523 nan 8.280 nan 0.000 0.524 43 E N 0.381 120.515 120.200 -0.109 0.000 2.201 43 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 43 E C 1.834 178.418 176.600 -0.026 0.000 0.957 43 E CA 1.182 57.592 56.400 0.017 0.000 0.858 43 E CB 0.145 29.845 29.700 -0.000 0.000 0.816 43 E HN 0.601 nan 8.360 nan 0.000 0.475 44 T N -2.074 112.439 114.554 -0.069 0.000 3.057 44 T HA 0.010 4.360 4.350 -0.000 0.000 0.254 44 T C 0.722 175.370 174.700 -0.087 0.000 1.094 44 T CA -0.001 62.071 62.100 -0.047 0.000 1.088 44 T CB 0.180 69.035 68.868 -0.021 0.000 0.934 44 T HN 0.052 nan 8.240 nan 0.000 0.497 45 Q N -0.100 119.569 119.800 -0.218 0.000 2.502 45 Q HA -0.109 4.230 4.340 -0.000 0.000 0.273 45 Q C -0.937 175.078 176.000 0.025 0.000 1.127 45 Q CA 0.187 55.762 55.803 -0.380 0.000 0.952 45 Q CB -2.379 26.173 28.738 -0.310 0.000 1.333 45 Q HN 0.526 nan 8.270 nan 0.000 0.494 46 V N 0.785 120.728 119.914 0.049 0.000 2.459 46 V HA 0.258 4.378 4.120 -0.000 0.000 0.295 46 V C 0.384 176.414 176.094 -0.107 0.000 1.029 46 V CA -0.558 61.755 62.300 0.022 0.000 0.874 46 V CB 1.779 33.583 31.823 -0.032 0.000 0.985 46 V HN 0.230 nan 8.190 nan 0.000 0.438 47 E N 3.026 122.948 120.200 -0.463 0.000 2.257 47 E HA 0.215 4.565 4.350 -0.000 0.000 0.278 47 E C 0.376 176.626 176.600 -0.584 0.000 1.049 47 E CA -0.339 55.457 56.400 -1.008 0.000 0.876 47 E CB 1.521 30.277 29.700 -1.573 0.000 1.035 47 E HN 0.486 nan 8.360 nan 0.000 0.419 48 V N 5.102 124.672 119.914 -0.573 0.000 2.255 48 V HA -0.047 4.073 4.120 -0.000 0.000 0.243 48 V C 1.297 177.137 176.094 -0.424 0.000 1.038 48 V CA 1.485 63.478 62.300 -0.512 0.000 1.008 48 V CB -0.372 30.952 31.823 -0.831 0.000 0.645 48 V HN 0.729 nan 8.190 nan 0.000 0.449 49 R N -1.167 119.069 120.500 -0.440 0.000 2.734 49 R HA 0.536 4.876 4.340 -0.000 0.000 0.271 49 R C -1.573 174.541 176.300 -0.310 0.000 1.021 49 R CA -0.214 55.694 56.100 -0.320 0.000 0.893 49 R CB 2.064 32.211 30.300 -0.256 0.000 1.244 49 R HN 0.220 nan 8.270 nan 0.000 0.464 50 S N 2.170 117.724 115.700 -0.243 0.000 2.575 50 S HA 0.640 5.110 4.470 -0.000 0.000 0.278 50 S C -1.368 173.108 174.600 -0.208 0.000 1.139 50 S CA -0.643 57.431 58.200 -0.210 0.000 0.954 50 S CB 0.946 64.044 63.200 -0.170 0.000 1.054 50 S HN 0.460 nan 8.310 nan 0.000 0.483 51 I N 3.353 123.778 120.570 -0.242 0.000 2.499 51 I HA 0.361 4.531 4.170 -0.000 0.000 0.288 51 I C -0.736 175.237 176.117 -0.240 0.000 1.048 51 I CA -0.721 60.404 61.300 -0.292 0.000 1.062 51 I CB 2.222 39.896 38.000 -0.544 0.000 1.238 51 I HN 0.494 nan 8.210 nan 0.000 0.426 52 Q N 4.867 124.564 119.800 -0.172 0.000 2.553 52 Q HA 0.236 4.576 4.340 -0.000 0.000 0.221 52 Q C 0.134 176.063 176.000 -0.117 0.000 1.219 52 Q CA 0.007 55.734 55.803 -0.126 0.000 0.955 52 Q CB 0.901 29.587 28.738 -0.087 0.000 1.399 52 Q HN 0.642 nan 8.270 nan 0.000 0.551 53 V N 2.173 122.004 119.914 -0.138 0.000 2.307 53 V HA -0.048 4.072 4.120 -0.000 0.000 0.245 53 V C 0.959 177.020 176.094 -0.056 0.000 1.045 53 V CA 1.957 64.220 62.300 -0.061 0.000 1.024 53 V CB -0.635 31.147 31.823 -0.069 0.000 0.651 53 V HN 0.910 nan 8.190 nan 0.000 0.449 54 T N -4.235 110.259 114.554 -0.099 0.000 2.661 54 T HA 0.377 4.727 4.350 -0.000 0.000 0.305 54 T C -0.056 174.567 174.700 -0.128 0.000 1.441 54 T CA -0.504 61.527 62.100 -0.115 0.000 0.999 54 T CB 1.997 70.778 68.868 -0.146 0.000 1.650 54 T HN -0.103 nan 8.240 nan 0.000 0.489 55 E N 0.144 120.262 120.200 -0.136 0.000 2.474 55 E HA 0.278 4.628 4.350 -0.000 0.000 0.194 55 E C 0.636 177.125 176.600 -0.184 0.000 1.041 55 E CA 0.294 56.613 56.400 -0.134 0.000 0.874 55 E CB 0.332 29.966 29.700 -0.110 0.000 0.914 55 E HN 0.660 nan 8.360 nan 0.000 0.498 56 T N 1.352 115.771 114.554 -0.225 0.000 2.918 56 T HA 0.330 4.680 4.350 -0.000 0.000 0.283 56 T C -2.660 171.818 174.700 -0.369 0.000 1.001 56 T CA -2.549 59.366 62.100 -0.307 0.000 1.041 56 T CB 0.872 69.553 68.868 -0.311 0.000 1.028 56 T HN -0.123 nan 8.240 nan 0.000 0.511 57 P HA 0.215 nan 4.420 nan 0.000 0.271 57 P C -1.103 175.977 177.300 -0.365 0.000 1.218 57 P CA -0.246 62.514 63.100 -0.566 0.000 0.780 57 P CB 0.568 31.650 31.700 -1.030 0.000 0.901 58 V N 5.279 125.041 119.914 -0.253 0.000 2.294 58 V HA 0.257 4.377 4.120 -0.000 0.000 0.272 58 V C 1.716 177.725 176.094 -0.141 0.000 1.027 58 V CA -0.217 61.975 62.300 -0.181 0.000 0.823 58 V CB 0.553 32.290 31.823 -0.144 0.000 1.030 58 V HN 0.515 nan 8.190 nan 0.000 0.457 59 R N 2.710 123.130 120.500 -0.134 0.000 2.161 59 R HA 0.329 4.669 4.340 -0.000 0.000 0.213 59 R C 0.796 177.071 176.300 -0.040 0.000 1.055 59 R CA 0.908 56.958 56.100 -0.084 0.000 0.996 59 R CB 0.350 30.600 30.300 -0.083 0.000 0.901 59 R HN 0.701 nan 8.270 nan 0.000 0.456 60 A N 0.412 123.205 122.820 -0.044 0.000 2.374 60 A HA 0.751 5.071 4.320 -0.000 0.000 0.317 60 A C -0.626 176.937 177.584 -0.035 0.000 1.094 60 A CA -0.552 51.475 52.037 -0.016 0.000 0.765 60 A CB 1.990 20.994 19.000 0.006 0.000 1.268 60 A HN 0.221 nan 8.150 nan 0.000 0.438 61 G N 1.400 110.186 108.800 -0.024 0.000 2.761 61 G HA2 0.572 4.532 3.960 -0.000 0.000 0.296 61 G HA3 0.572 4.532 3.960 -0.000 0.000 0.296 61 G C -1.658 173.219 174.900 -0.040 0.000 1.416 61 G CA -0.588 44.478 45.100 -0.056 0.000 1.105 61 G HN 0.529 nan 8.290 nan 0.000 0.565 62 K N 1.152 121.538 120.400 -0.023 0.000 2.508 62 K HA 0.505 4.825 4.320 -0.000 0.000 0.260 62 K C -1.190 175.439 176.600 0.049 0.000 0.949 62 K CA -0.702 55.614 56.287 0.050 0.000 0.834 62 K CB 2.495 35.094 32.500 0.164 0.000 1.365 62 K HN 0.395 nan 8.250 nan 0.000 0.437 63 F N 1.065 121.122 119.950 0.179 0.000 2.370 63 F HA 0.439 4.966 4.527 -0.000 0.000 0.319 63 F C 1.061 176.989 175.800 0.212 0.000 1.129 63 F CA -0.429 57.705 58.000 0.223 0.000 1.109 63 F CB 0.782 39.866 39.000 0.140 0.000 1.262 63 F HN 0.233 nan 8.300 nan 0.000 0.534 64 I N 2.232 123.100 120.570 0.497 0.000 2.901 64 I HA 0.174 4.344 4.170 -0.000 0.000 0.289 64 I C 0.639 176.892 176.117 0.226 0.000 1.553 64 I CA -0.170 61.303 61.300 0.288 0.000 0.829 64 I CB 0.946 39.084 38.000 0.229 0.000 1.840 64 I HN 0.762 nan 8.210 nan 0.000 0.606 65 A N 2.915 125.845 122.820 0.184 0.000 1.927 65 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 65 A C 2.255 179.863 177.584 0.041 0.000 1.185 65 A CA 1.879 53.992 52.037 0.127 0.000 0.639 65 A CB -0.368 18.513 19.000 -0.198 0.000 0.820 65 A HN 0.620 nan 8.150 nan 0.000 0.451 66 R N -0.771 119.721 120.500 -0.012 0.000 2.204 66 R HA -0.154 4.186 4.340 -0.000 0.000 0.253 66 R C 0.964 177.140 176.300 -0.207 0.000 1.172 66 R CA 1.677 57.742 56.100 -0.059 0.000 0.994 66 R CB -0.062 30.244 30.300 0.009 0.000 0.874 66 R HN 0.381 nan 8.270 nan 0.000 0.462 67 K N -1.017 119.149 120.400 -0.389 0.000 2.438 67 K HA 0.174 4.494 4.320 -0.000 0.000 0.206 67 K C -0.277 175.815 176.600 -0.847 0.000 1.081 67 K CA -0.003 55.772 56.287 -0.853 0.000 1.053 67 K CB 0.579 32.010 32.500 -1.782 0.000 0.908 67 K HN 0.192 nan 8.250 nan 0.000 0.556 68 N N 0.552 119.009 118.700 -0.404 0.000 2.776 68 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 68 N C -0.948 174.143 175.510 -0.698 0.000 1.111 68 N CA 0.450 53.102 53.050 -0.662 0.000 0.711 68 N CB -0.557 37.610 38.487 -0.534 0.000 1.065 68 N HN 0.245 nan 8.380 nan 0.000 0.556 69 W N 0.629 121.867 121.300 -0.104 0.000 2.804 69 W HA 0.756 5.416 4.660 -0.000 0.000 0.352 69 W C 0.400 177.169 176.519 0.417 0.000 1.153 69 W CA -0.918 56.480 57.345 0.088 0.000 1.119 69 W CB 0.309 29.777 29.460 0.013 0.000 1.448 69 W HN -0.053 nan 8.180 nan 0.000 0.600 70 I N 0.351 121.234 120.570 0.522 0.000 2.686 70 I HA 0.670 4.840 4.170 -0.000 0.000 0.295 70 I C -1.342 174.876 176.117 0.168 0.000 1.114 70 I CA -1.154 60.309 61.300 0.271 0.000 1.038 70 I CB 2.793 40.840 38.000 0.078 0.000 1.238 70 I HN 0.357 nan 8.210 nan 0.000 0.420 71 I N 6.651 127.278 120.570 0.096 0.000 2.466 71 I HA 0.693 4.863 4.170 -0.000 0.000 0.289 71 I C -1.087 175.023 176.117 -0.013 0.000 1.026 71 I CA -0.823 60.486 61.300 0.015 0.000 1.078 71 I CB 1.783 39.826 38.000 0.072 0.000 1.249 71 I HN 0.664 nan 8.210 nan 0.000 0.429 72 V N 3.602 123.483 119.914 -0.055 0.000 2.769 72 V HA 0.979 5.099 4.120 -0.000 0.000 0.312 72 V C -0.140 175.881 176.094 -0.122 0.000 1.061 72 V CA -0.408 61.852 62.300 -0.067 0.000 0.931 72 V CB 1.383 33.180 31.823 -0.044 0.000 1.010 72 V HN 0.821 nan 8.190 nan 0.000 0.433 73 G N 1.819 110.559 108.800 -0.101 0.000 2.530 73 G HA2 0.726 4.686 3.960 -0.000 0.000 0.316 73 G HA3 0.726 4.686 3.960 -0.000 0.000 0.316 73 G C -0.502 174.331 174.900 -0.111 0.000 1.298 73 G CA -0.076 44.956 45.100 -0.112 0.000 0.948 73 G HN 1.445 nan 8.290 nan 0.000 0.486 74 S N 0.685 116.309 115.700 -0.126 0.000 2.667 74 S HA 0.430 4.900 4.470 -0.000 0.000 0.292 74 S C 0.016 174.531 174.600 -0.142 0.000 1.126 74 S CA -0.746 57.358 58.200 -0.160 0.000 0.881 74 S CB 2.172 65.259 63.200 -0.188 0.000 1.132 74 S HN 0.282 nan 8.310 nan 0.000 0.492 75 D N 1.196 121.438 120.400 -0.265 0.000 2.354 75 D HA -0.043 4.597 4.640 -0.000 0.000 0.216 75 D C 0.868 177.042 176.300 -0.211 0.000 0.970 75 D CA 1.234 55.037 54.000 -0.327 0.000 0.905 75 D CB -0.259 40.083 40.800 -0.763 0.000 0.903 75 D HN 0.748 nan 8.370 nan 0.000 0.508 76 D N -0.527 119.669 120.400 -0.340 0.000 2.325 76 D HA -0.122 4.518 4.640 -0.000 0.000 0.234 76 D C 0.257 176.196 176.300 -0.603 0.000 1.122 76 D CA -0.298 53.327 54.000 -0.626 0.000 0.850 76 D CB -0.632 39.928 40.800 -0.400 0.000 0.921 76 D HN 0.051 nan 8.370 nan 0.000 0.513 77 F N -1.150 118.796 119.950 -0.007 0.000 2.871 77 F HA -0.275 4.252 4.527 -0.000 0.000 0.326 77 F C 0.299 176.047 175.800 -0.086 0.000 0.675 77 F CA -0.094 57.910 58.000 0.006 0.000 1.188 77 F CB -2.515 36.508 39.000 0.039 0.000 1.567 77 F HN 0.119 nan 8.300 nan 0.000 0.325 78 R N 0.420 120.885 120.500 -0.058 0.000 2.540 78 R HA 0.774 5.114 4.340 -0.000 0.000 0.287 78 R C -0.081 175.995 176.300 -0.373 0.000 0.980 78 R CA -0.908 55.043 56.100 -0.249 0.000 0.966 78 R CB 1.939 32.084 30.300 -0.260 0.000 1.106 78 R HN 0.148 nan 8.270 nan 0.000 0.480 79 I N 3.004 123.152 120.570 -0.703 0.000 2.339 79 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 79 I C -0.041 175.569 176.117 -0.846 0.000 0.994 79 I CA -0.481 60.344 61.300 -0.790 0.000 1.191 79 I CB 1.224 38.525 38.000 -1.165 0.000 1.343 79 I HN 0.391 nan 8.210 nan 0.000 0.458 80 R N 4.922 125.086 120.500 -0.559 0.000 2.750 80 R HA 0.776 5.116 4.340 -0.000 0.000 0.281 80 R C -1.423 174.536 176.300 -0.568 0.000 0.972 80 R CA -0.882 54.867 56.100 -0.584 0.000 0.912 80 R CB 2.905 32.953 30.300 -0.421 0.000 1.187 80 R HN 0.272 nan 8.270 nan 0.000 0.464 81 V N 3.111 122.543 119.914 -0.802 0.000 2.604 81 V HA 0.579 4.699 4.120 -0.000 0.000 0.305 81 V C -1.026 174.583 176.094 -0.809 0.000 1.043 81 V CA -0.693 61.195 62.300 -0.687 0.000 0.888 81 V CB 1.539 32.817 31.823 -0.909 0.000 0.995 81 V HN 0.531 nan 8.190 nan 0.000 0.429 82 F N 1.886 121.671 119.950 -0.275 0.000 2.588 82 F HA 0.466 4.993 4.527 -0.000 0.000 0.314 82 F C 0.280 176.075 175.800 -0.008 0.000 1.069 82 F CA -0.845 57.065 58.000 -0.150 0.000 0.931 82 F CB 1.657 40.610 39.000 -0.078 0.000 1.260 82 F HN 0.437 nan 8.300 nan 0.000 0.465 83 N N 1.806 120.653 118.700 0.245 0.000 2.408 83 N HA -0.002 4.738 4.740 -0.000 0.000 0.257 83 N C 0.423 176.051 175.510 0.198 0.000 1.064 83 N CA -0.195 53.010 53.050 0.258 0.000 0.952 83 N CB 0.717 39.326 38.487 0.203 0.000 1.093 83 N HN 0.729 nan 8.380 nan 0.000 0.490 84 Y N 3.524 124.015 120.300 0.319 0.000 2.571 84 Y HA 0.178 4.728 4.550 -0.000 0.000 0.294 84 Y C 1.060 177.051 175.900 0.152 0.000 1.141 84 Y CA 0.262 58.494 58.100 0.221 0.000 1.308 84 Y CB -0.453 38.212 38.460 0.341 0.000 1.002 84 Y HN 0.404 nan 8.280 nan 0.000 0.551 85 N N 0.160 118.998 118.700 0.230 0.000 2.416 85 N HA -0.050 4.690 4.740 -0.000 0.000 0.177 85 N C 1.444 177.027 175.510 0.122 0.000 1.036 85 N CA 1.723 54.905 53.050 0.220 0.000 0.901 85 N CB -0.051 38.529 38.487 0.155 0.000 0.976 85 N HN 0.691 nan 8.380 nan 0.000 0.444 86 T N -4.929 109.685 114.554 0.099 0.000 2.958 86 T HA 0.313 4.663 4.350 -0.000 0.000 0.256 86 T C 1.221 175.960 174.700 0.065 0.000 0.983 86 T CA 0.607 62.749 62.100 0.070 0.000 0.924 86 T CB 0.708 69.615 68.868 0.064 0.000 1.136 86 T HN 0.139 nan 8.240 nan 0.000 0.506 87 G N 1.346 110.203 108.800 0.095 0.000 2.137 87 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.237 87 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.237 87 G C -0.258 174.741 174.900 0.166 0.000 1.002 87 G CA 0.183 45.337 45.100 0.090 0.000 0.702 87 G HN 0.824 nan 8.290 nan 0.000 0.515 88 E N 0.615 120.910 120.200 0.158 0.000 2.283 88 E HA 0.506 4.856 4.350 -0.000 0.000 0.278 88 E C 0.553 177.191 176.600 0.063 0.000 1.027 88 E CA -0.638 55.828 56.400 0.110 0.000 0.843 88 E CB 0.447 30.185 29.700 0.064 0.000 1.062 88 E HN 0.104 nan 8.360 nan 0.000 0.401 89 K N 3.928 124.289 120.400 -0.064 0.000 2.378 89 K HA 0.072 4.392 4.320 -0.000 0.000 0.288 89 K C 0.264 176.653 176.600 -0.353 0.000 1.057 89 K CA -0.046 55.992 56.287 -0.414 0.000 0.971 89 K CB 0.972 33.238 32.500 -0.389 0.000 0.975 89 K HN 0.450 nan 8.250 nan 0.000 0.475 90 V N 3.368 122.991 119.914 -0.484 0.000 2.300 90 V HA -0.079 4.041 4.120 -0.000 0.000 0.241 90 V C 0.726 176.579 176.094 -0.400 0.000 1.034 90 V CA 0.919 62.976 62.300 -0.406 0.000 1.021 90 V CB 0.296 31.718 31.823 -0.667 0.000 0.662 90 V HN 0.659 nan 8.190 nan 0.000 0.458 91 V N -2.115 117.451 119.914 -0.580 0.000 3.049 91 V HA 0.791 4.911 4.120 -0.000 0.000 0.309 91 V C -1.922 173.864 176.094 -0.514 0.000 1.148 91 V CA -0.756 61.244 62.300 -0.500 0.000 0.990 91 V CB 2.406 33.800 31.823 -0.714 0.000 1.039 91 V HN 0.254 nan 8.190 nan 0.000 0.430 92 D N 3.136 123.348 120.400 -0.313 0.000 2.478 92 D HA 0.601 5.241 4.640 -0.000 0.000 0.240 92 D C -1.231 174.982 176.300 -0.146 0.000 1.364 92 D CA -0.055 53.746 54.000 -0.333 0.000 0.987 92 D CB 1.629 42.249 40.800 -0.301 0.000 1.328 92 D HN 0.787 nan 8.370 nan 0.000 0.584 93 F N 0.617 120.358 119.950 -0.349 0.000 2.631 93 F HA 0.534 5.061 4.527 -0.000 0.000 0.308 93 F C -0.563 175.099 175.800 -0.230 0.000 1.097 93 F CA -1.222 56.619 58.000 -0.264 0.000 0.952 93 F CB 1.136 39.967 39.000 -0.282 0.000 1.307 93 F HN 0.045 nan 8.300 nan 0.000 0.450 94 E N 1.484 121.691 120.200 0.012 0.000 2.257 94 E HA 0.514 4.864 4.350 -0.000 0.000 0.278 94 E C 0.094 176.740 176.600 0.077 0.000 1.049 94 E CA 0.132 56.536 56.400 0.008 0.000 0.876 94 E CB 1.441 31.204 29.700 0.105 0.000 1.035 94 E HN 0.883 nan 8.360 nan 0.000 0.419 95 A N 5.703 128.480 122.820 -0.072 0.000 2.085 95 A HA 0.134 4.454 4.320 -0.000 0.000 0.208 95 A C 0.216 177.696 177.584 -0.172 0.000 1.191 95 A CA 0.372 52.387 52.037 -0.037 0.000 0.799 95 A CB 0.214 19.054 19.000 -0.268 0.000 0.877 95 A HN 0.731 nan 8.150 nan 0.000 0.473 96 H N -2.557 116.608 119.070 0.158 0.000 3.008 96 H HA 0.279 4.835 4.556 -0.000 0.000 0.354 96 H C -2.537 172.723 175.328 -0.112 0.000 1.252 96 H CA -1.420 54.666 56.048 0.064 0.000 1.117 96 H CB 1.554 31.338 29.762 0.037 0.000 1.857 96 H HN -0.083 nan 8.280 nan 0.000 0.547 97 P HA 0.115 nan 4.420 nan 0.000 0.255 97 P C -0.187 176.412 177.300 -1.169 0.000 1.248 97 P CA 0.737 63.549 63.100 -0.480 0.000 0.807 97 P CB 0.877 32.438 31.700 -0.232 0.000 1.150 98 D N -1.848 118.020 120.400 -0.887 0.000 2.610 98 D HA 0.181 4.821 4.640 -0.000 0.000 0.271 98 D C -0.484 175.715 176.300 -0.168 0.000 1.174 98 D CA -1.083 52.421 54.000 -0.827 0.000 0.949 98 D CB 0.934 41.443 40.800 -0.486 0.000 1.430 98 D HN -0.106 nan 8.370 nan 0.000 0.467 99 Y N 0.384 120.660 120.300 -0.040 0.000 2.987 99 Y HA -0.040 4.510 4.550 -0.000 0.000 0.339 99 Y C 0.889 176.728 175.900 -0.101 0.000 1.272 99 Y CA -0.048 58.058 58.100 0.010 0.000 1.562 99 Y CB 0.325 38.714 38.460 -0.118 0.000 1.253 99 Y HN 0.090 nan 8.280 nan 0.000 0.604 100 I N 4.832 125.467 120.570 0.108 0.000 2.331 100 I HA 0.170 4.340 4.170 -0.000 0.000 0.292 100 I C 0.795 176.896 176.117 -0.025 0.000 0.998 100 I CA -0.442 60.851 61.300 -0.012 0.000 1.267 100 I CB 1.367 39.378 38.000 0.018 0.000 1.386 100 I HN 0.683 nan 8.210 nan 0.000 0.476 101 R N 2.613 123.090 120.500 -0.037 0.000 2.195 101 R HA 0.259 4.599 4.340 -0.000 0.000 0.197 101 R C 0.395 176.706 176.300 0.019 0.000 0.990 101 R CA 0.334 56.431 56.100 -0.005 0.000 1.048 101 R CB 0.623 30.928 30.300 0.009 0.000 0.997 101 R HN 0.617 nan 8.270 nan 0.000 0.502 102 S N -0.178 115.529 115.700 0.010 0.000 2.550 102 S HA 0.643 5.113 4.470 -0.000 0.000 0.270 102 S C -1.475 173.149 174.600 0.040 0.000 1.145 102 S CA -0.655 57.561 58.200 0.027 0.000 0.852 102 S CB 1.432 64.634 63.200 0.004 0.000 1.119 102 S HN 0.063 nan 8.310 nan 0.000 0.465 103 I N 2.341 122.951 120.570 0.066 0.000 2.607 103 I HA 0.654 4.824 4.170 -0.000 0.000 0.290 103 I C -0.400 175.805 176.117 0.147 0.000 1.129 103 I CA -0.745 60.623 61.300 0.115 0.000 1.042 103 I CB 1.995 40.070 38.000 0.125 0.000 1.242 103 I HN 0.785 nan 8.210 nan 0.000 0.421 104 A N 5.916 128.846 122.820 0.183 0.000 2.374 104 A HA 0.891 5.211 4.320 -0.000 0.000 0.317 104 A C -1.181 176.697 177.584 0.490 0.000 1.094 104 A CA -0.544 51.660 52.037 0.279 0.000 0.765 104 A CB 1.847 20.923 19.000 0.126 0.000 1.268 104 A HN 0.388 nan 8.150 nan 0.000 0.438 105 V N 3.196 123.411 119.914 0.502 0.000 2.487 105 V HA 0.264 4.384 4.120 -0.000 0.000 0.298 105 V C -0.004 176.229 176.094 0.231 0.000 1.028 105 V CA -0.690 61.898 62.300 0.481 0.000 0.860 105 V CB 1.433 33.510 31.823 0.423 0.000 0.991 105 V HN 0.975 nan 8.190 nan 0.000 0.427 106 H N 8.184 127.196 119.070 -0.097 0.000 2.928 106 H HA 0.126 4.682 4.556 -0.000 0.000 0.338 106 H C -1.508 173.699 175.328 -0.202 0.000 1.047 106 H CA -1.129 54.534 56.048 -0.641 0.000 1.435 106 H CB 2.047 31.503 29.762 -0.509 0.000 1.428 106 H HN 0.399 nan 8.280 nan 0.000 0.590 107 P HA -0.050 nan 4.420 nan 0.000 0.223 107 P C 0.771 178.133 177.300 0.104 0.000 1.151 107 P CA 0.862 63.944 63.100 -0.029 0.000 0.787 107 P CB 0.732 32.367 31.700 -0.109 0.000 0.788 108 T N -1.324 113.406 114.554 0.292 0.000 3.182 108 T HA 0.119 4.469 4.350 -0.000 0.000 0.244 108 T C 0.737 175.407 174.700 -0.051 0.000 0.981 108 T CA 0.205 62.394 62.100 0.148 0.000 1.182 108 T CB 0.241 69.200 68.868 0.152 0.000 1.043 108 T HN 0.070 nan 8.240 nan 0.000 0.424 109 K N 2.563 122.767 120.400 -0.326 0.000 2.154 109 K HA 0.254 4.574 4.320 -0.000 0.000 0.264 109 K C -2.400 173.658 176.600 -0.904 0.000 1.008 109 K CA -2.003 53.832 56.287 -0.753 0.000 0.937 109 K CB 0.512 32.350 32.500 -1.104 0.000 1.002 109 K HN 0.055 nan 8.250 nan 0.000 0.469 110 P HA -0.036 nan 4.420 nan 0.000 0.246 110 P C -1.293 174.966 177.300 -1.735 0.000 1.675 110 P CA 0.395 62.139 63.100 -2.259 0.000 0.908 110 P CB -0.173 30.292 31.700 -2.057 0.000 1.890 111 Y N -0.695 119.180 120.300 -0.709 0.000 2.446 111 Y HA 0.468 5.018 4.550 -0.000 0.000 0.338 111 Y C 0.589 176.671 175.900 0.305 0.000 1.055 111 Y CA -1.541 56.485 58.100 -0.124 0.000 1.101 111 Y CB 1.846 40.301 38.460 -0.009 0.000 1.221 111 Y HN -0.217 nan 8.280 nan 0.000 0.460 112 V N 4.366 124.687 119.914 0.677 0.000 2.686 112 V HA 0.447 4.567 4.120 -0.000 0.000 0.306 112 V C -0.711 175.736 176.094 0.588 0.000 1.065 112 V CA -1.003 61.725 62.300 0.713 0.000 0.894 112 V CB 2.181 34.515 31.823 0.852 0.000 1.004 112 V HN 0.556 nan 8.190 nan 0.000 0.424 113 L N 3.970 125.426 121.223 0.388 0.000 2.322 113 L HA 0.744 5.084 4.340 -0.000 0.000 0.281 113 L C -0.052 176.934 176.870 0.194 0.000 1.014 113 L CA -0.293 54.608 54.840 0.101 0.000 0.815 113 L CB 2.215 44.010 42.059 -0.439 0.000 1.247 113 L HN 0.798 nan 8.230 nan 0.000 0.421 114 S N 0.900 116.770 115.700 0.284 0.000 2.561 114 S HA 0.756 5.226 4.470 -0.000 0.000 0.303 114 S C -0.264 174.427 174.600 0.151 0.000 1.110 114 S CA -0.724 57.653 58.200 0.295 0.000 1.034 114 S CB 1.834 65.371 63.200 0.562 0.000 1.010 114 S HN 0.711 nan 8.310 nan 0.000 0.482 115 G N 0.687 109.490 108.800 0.005 0.000 2.371 115 G HA2 0.624 4.584 3.960 -0.000 0.000 0.326 115 G HA3 0.624 4.584 3.960 -0.000 0.000 0.326 115 G C -0.641 174.145 174.900 -0.189 0.000 1.127 115 G CA -0.638 44.421 45.100 -0.068 0.000 0.885 115 G HN 0.937 nan 8.290 nan 0.000 0.477 116 S N -0.172 115.376 115.700 -0.253 0.000 2.651 116 S HA 0.383 4.853 4.470 -0.000 0.000 0.279 116 S C -0.187 174.319 174.600 -0.157 0.000 1.148 116 S CA -0.628 57.375 58.200 -0.329 0.000 0.837 116 S CB 1.780 64.483 63.200 -0.830 0.000 1.138 116 S HN 0.337 nan 8.310 nan 0.000 0.478 117 D N 1.334 121.598 120.400 -0.227 0.000 2.363 117 D HA 0.050 4.690 4.640 -0.000 0.000 0.226 117 D C 0.719 176.992 176.300 -0.045 0.000 1.020 117 D CA 0.592 54.421 54.000 -0.285 0.000 0.892 117 D CB -0.116 40.161 40.800 -0.871 0.000 0.900 117 D HN 0.668 nan 8.370 nan 0.000 0.531 118 D N 0.071 120.434 120.400 -0.063 0.000 2.325 118 D HA -0.064 4.576 4.640 -0.000 0.000 0.234 118 D C 0.865 177.213 176.300 0.080 0.000 1.122 118 D CA -0.253 53.748 54.000 0.003 0.000 0.850 118 D CB 0.033 40.845 40.800 0.019 0.000 0.921 118 D HN -0.141 nan 8.370 nan 0.000 0.513 119 L N -0.591 120.710 121.223 0.130 0.000 4.696 119 L HA -0.188 4.152 4.340 -0.000 0.000 0.425 119 L C 0.455 177.438 176.870 0.189 0.000 1.115 119 L CA 1.426 56.375 54.840 0.181 0.000 0.996 119 L CB -3.063 39.092 42.059 0.160 0.000 2.077 119 L HN 0.579 nan 8.230 nan 0.000 0.792 120 T N -4.381 110.257 114.554 0.140 0.000 2.888 120 T HA 0.876 5.226 4.350 -0.000 0.000 0.288 120 T C -0.246 174.525 174.700 0.119 0.000 1.063 120 T CA -0.600 61.590 62.100 0.149 0.000 1.010 120 T CB 2.891 71.852 68.868 0.155 0.000 1.214 120 T HN -0.051 nan 8.240 nan 0.000 0.533 121 V N 1.310 121.290 119.914 0.109 0.000 2.531 121 V HA 0.565 4.685 4.120 -0.000 0.000 0.301 121 V C -0.524 175.680 176.094 0.183 0.000 1.034 121 V CA -0.857 61.486 62.300 0.072 0.000 0.865 121 V CB 1.843 33.578 31.823 -0.147 0.000 0.995 121 V HN 0.893 nan 8.190 nan 0.000 0.424 122 K N 4.334 124.862 120.400 0.214 0.000 2.270 122 K HA 0.608 4.928 4.320 -0.000 0.000 0.255 122 K C -1.213 175.291 176.600 -0.160 0.000 0.936 122 K CA -0.703 55.581 56.287 -0.006 0.000 0.809 122 K CB 2.683 35.116 32.500 -0.111 0.000 1.131 122 K HN 0.455 nan 8.250 nan 0.000 0.427 123 L N 4.098 125.145 121.223 -0.293 0.000 2.272 123 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 123 L C -1.496 175.146 176.870 -0.380 0.000 1.032 123 L CA -0.558 54.174 54.840 -0.181 0.000 0.810 123 L CB 0.431 42.466 42.059 -0.041 0.000 1.205 123 L HN 0.647 nan 8.230 nan 0.000 0.422 124 W N 4.271 125.727 121.300 0.261 0.000 2.627 124 W HA 0.400 5.060 4.660 -0.000 0.000 0.339 124 W C 0.118 176.824 176.519 0.312 0.000 1.058 124 W CA -0.598 56.940 57.345 0.322 0.000 1.223 124 W CB 0.961 30.745 29.460 0.540 0.000 1.389 124 W HN 0.410 nan 8.180 nan 0.000 0.541 125 N N 2.409 121.336 118.700 0.379 0.000 2.524 125 N HA 0.077 4.817 4.740 -0.000 0.000 0.261 125 N C 0.118 175.526 175.510 -0.169 0.000 0.998 125 N CA -0.848 52.255 53.050 0.088 0.000 0.915 125 N CB 0.698 39.246 38.487 0.103 0.000 1.187 125 N HN 0.674 nan 8.380 nan 0.000 0.507 126 W N 3.452 124.408 121.300 -0.573 0.000 2.699 126 W HA 0.252 4.912 4.660 -0.000 0.000 0.249 126 W C 0.251 176.458 176.519 -0.520 0.000 1.280 126 W CA 0.105 56.775 57.345 -1.126 0.000 1.345 126 W CB -0.064 28.411 29.460 -1.641 0.000 1.128 126 W HN 0.466 nan 8.180 nan 0.000 0.642 127 E N 0.971 120.943 120.200 -0.379 0.000 2.349 127 E HA -0.004 4.345 4.350 -0.000 0.000 0.201 127 E C -0.005 176.512 176.600 -0.138 0.000 1.087 127 E CA -0.085 56.192 56.400 -0.206 0.000 1.128 127 E CB -0.554 28.949 29.700 -0.328 0.000 1.188 127 E HN 0.178 nan 8.360 nan 0.000 0.445 128 N N 0.744 119.385 118.700 -0.098 0.000 2.528 128 N HA -0.004 4.736 4.740 -0.000 0.000 0.266 128 N C -1.051 174.469 175.510 0.016 0.000 1.528 128 N CA -0.145 52.884 53.050 -0.036 0.000 0.959 128 N CB -0.327 38.138 38.487 -0.036 0.000 1.430 128 N HN -0.001 nan 8.380 nan 0.000 0.511 129 N N 0.700 119.423 118.700 0.039 0.000 2.725 129 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 129 N C -0.922 174.723 175.510 0.226 0.000 1.103 129 N CA 1.105 54.230 53.050 0.125 0.000 0.707 129 N CB -1.529 37.010 38.487 0.086 0.000 1.043 129 N HN 0.681 nan 8.380 nan 0.000 0.553 130 W N -2.002 119.347 121.300 0.083 0.000 5.770 130 W HA -0.252 4.408 4.660 -0.000 0.000 0.389 130 W C 0.873 177.436 176.519 0.073 0.000 1.469 130 W CA 0.499 57.889 57.345 0.075 0.000 0.975 130 W CB -1.870 27.495 29.460 -0.158 0.000 2.622 130 W HN 0.466 nan 8.180 nan 0.000 1.500 131 A N 0.798 123.766 122.820 0.248 0.000 2.351 131 A HA 0.516 4.836 4.320 -0.000 0.000 0.257 131 A C 0.090 177.769 177.584 0.158 0.000 1.087 131 A CA -0.566 51.575 52.037 0.174 0.000 0.798 131 A CB 0.529 19.570 19.000 0.068 0.000 1.033 131 A HN 0.427 nan 8.150 nan 0.000 0.488 132 L N 2.409 123.617 121.223 -0.025 0.000 2.433 132 L HA 0.139 4.479 4.340 -0.000 0.000 0.284 132 L C 0.797 177.492 176.870 -0.291 0.000 1.120 132 L CA -0.013 54.548 54.840 -0.465 0.000 0.879 132 L CB 0.212 41.948 42.059 -0.538 0.000 1.232 132 L HN 0.912 nan 8.230 nan 0.000 0.454 133 E N 3.373 123.415 120.200 -0.262 0.000 2.299 133 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 133 E C 0.162 176.610 176.600 -0.253 0.000 0.998 133 E CA 0.334 56.623 56.400 -0.186 0.000 0.851 133 E CB 0.648 30.282 29.700 -0.111 0.000 0.795 133 E HN 0.635 nan 8.360 nan 0.000 0.492 134 Q N -0.249 119.342 119.800 -0.348 0.000 2.545 134 Q HA 0.183 4.523 4.340 -0.000 0.000 0.273 134 Q C -1.762 173.948 176.000 -0.483 0.000 0.975 134 Q CA -0.283 55.257 55.803 -0.439 0.000 0.876 134 Q CB 2.199 30.612 28.738 -0.542 0.000 1.472 134 Q HN -0.125 nan 8.270 nan 0.000 0.389 135 T N 3.038 117.288 114.554 -0.507 0.000 2.840 135 T HA 0.537 4.886 4.350 -0.000 0.000 0.287 135 T C -1.203 173.233 174.700 -0.440 0.000 0.991 135 T CA -0.269 61.632 62.100 -0.332 0.000 0.964 135 T CB 0.230 68.981 68.868 -0.194 0.000 0.954 135 T HN 0.328 nan 8.240 nan 0.000 0.438 136 F N 2.716 122.507 119.950 -0.266 0.000 2.350 136 F HA 0.363 4.890 4.527 -0.000 0.000 0.365 136 F C 1.077 176.714 175.800 -0.272 0.000 1.122 136 F CA -0.832 56.895 58.000 -0.454 0.000 1.139 136 F CB 0.742 39.038 39.000 -1.172 0.000 1.220 136 F HN 0.406 nan 8.300 nan 0.000 0.499 137 E N 1.392 121.659 120.200 0.112 0.000 2.202 137 E HA 0.676 5.026 4.350 -0.000 0.000 0.272 137 E C 0.560 177.361 176.600 0.335 0.000 0.951 137 E CA -0.522 55.992 56.400 0.189 0.000 0.813 137 E CB 2.124 31.884 29.700 0.099 0.000 1.151 137 E HN 0.842 nan 8.360 nan 0.000 0.398 138 G N 1.806 110.765 108.800 0.266 0.000 3.617 138 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.217 138 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.217 138 G C -0.147 174.808 174.900 0.092 0.000 0.967 138 G CA -0.590 44.605 45.100 0.159 0.000 0.878 138 G HN 0.570 nan 8.290 nan 0.000 0.439 139 H N 0.945 120.161 119.070 0.243 0.000 2.690 139 H HA 0.491 5.047 4.556 -0.000 0.000 0.365 139 H C 0.419 175.820 175.328 0.122 0.000 1.142 139 H CA 0.616 56.768 56.048 0.174 0.000 1.417 139 H CB 1.057 30.945 29.762 0.210 0.000 1.446 139 H HN 0.251 nan 8.280 nan 0.000 0.599 140 E N 1.171 121.530 120.200 0.265 0.000 2.685 140 E HA 0.119 4.469 4.350 -0.000 0.000 0.208 140 E C -0.418 176.246 176.600 0.107 0.000 0.996 140 E CA -0.024 56.459 56.400 0.137 0.000 1.054 140 E CB 0.595 30.349 29.700 0.090 0.000 1.075 140 E HN 0.429 nan 8.360 nan 0.000 0.460 141 H N -0.881 118.231 119.070 0.070 0.000 2.888 141 H HA 0.199 4.755 4.556 -0.000 0.000 0.267 141 H C -1.069 174.326 175.328 0.113 0.000 1.482 141 H CA -1.140 54.892 56.048 -0.027 0.000 1.165 141 H CB 0.383 30.058 29.762 -0.145 0.000 1.866 141 H HN -0.047 nan 8.280 nan 0.000 0.599 142 F N 1.272 121.497 119.950 0.459 0.000 2.607 142 F HA 0.081 4.608 4.527 -0.000 0.000 0.374 142 F C 0.907 176.715 175.800 0.013 0.000 1.104 142 F CA -0.398 57.701 58.000 0.166 0.000 1.296 142 F CB 0.360 39.448 39.000 0.148 0.000 1.085 142 F HN -0.048 nan 8.300 nan 0.000 0.584 143 V N 6.113 126.126 119.914 0.165 0.000 2.353 143 V HA -0.017 4.103 4.120 -0.000 0.000 0.264 143 V C 0.941 177.055 176.094 0.034 0.000 1.049 143 V CA -0.343 61.965 62.300 0.012 0.000 0.896 143 V CB 1.026 32.860 31.823 0.019 0.000 1.025 143 V HN 0.795 nan 8.190 nan 0.000 0.475 144 M N 2.657 122.275 119.600 0.030 0.000 2.349 144 M HA 0.110 4.590 4.480 -0.000 0.000 0.266 144 M C 0.614 176.935 176.300 0.035 0.000 1.076 144 M CA 0.873 56.212 55.300 0.064 0.000 1.126 144 M CB -0.305 32.349 32.600 0.090 0.000 1.392 144 M HN 0.665 nan 8.290 nan 0.000 0.440 145 C N 0.885 120.168 119.300 -0.028 0.000 3.006 145 C HA 0.652 5.112 4.460 -0.000 0.000 0.359 145 C C -0.985 173.943 174.990 -0.104 0.000 1.103 145 C CA -0.864 58.088 59.018 -0.110 0.000 1.286 145 C CB 0.890 28.459 27.740 -0.285 0.000 1.694 145 C HN 0.282 nan 8.230 nan 0.000 0.511 146 V N 2.696 122.546 119.914 -0.107 0.000 2.735 146 V HA 1.040 5.160 4.120 -0.000 0.000 0.310 146 V C -0.237 175.806 176.094 -0.086 0.000 1.061 146 V CA -0.064 62.184 62.300 -0.087 0.000 0.913 146 V CB 1.359 33.068 31.823 -0.189 0.000 1.005 146 V HN 1.890 nan 8.190 nan 0.000 0.428 147 A N 3.483 126.302 122.820 -0.003 0.000 2.488 147 A HA 0.819 5.139 4.320 -0.000 0.000 0.295 147 A C -1.119 176.611 177.584 0.243 0.000 1.045 147 A CA -0.481 51.624 52.037 0.113 0.000 0.703 147 A CB 1.089 20.191 19.000 0.169 0.000 1.271 147 A HN 0.800 nan 8.150 nan 0.000 0.400 148 F N 2.088 122.168 119.950 0.217 0.000 2.471 148 F HA 0.199 4.726 4.527 -0.000 0.000 0.353 148 F C 1.283 177.111 175.800 0.046 0.000 1.113 148 F CA 0.332 58.424 58.000 0.152 0.000 1.262 148 F CB 0.814 39.816 39.000 0.003 0.000 1.146 148 F HN 0.664 nan 8.300 nan 0.000 0.578 149 N N 5.847 124.490 118.700 -0.095 0.000 2.416 149 N HA 0.042 4.782 4.740 -0.000 0.000 0.265 149 N C -1.567 173.809 175.510 -0.223 0.000 1.195 149 N CA -1.927 50.638 53.050 -0.809 0.000 0.943 149 N CB 0.848 38.779 38.487 -0.926 0.000 1.115 149 N HN 0.212 nan 8.380 nan 0.000 0.481 150 P HA -0.181 nan 4.420 nan 0.000 0.217 150 P C 0.443 177.737 177.300 -0.010 0.000 1.148 150 P CA 1.572 64.675 63.100 0.006 0.000 0.828 150 P CB 0.404 32.153 31.700 0.081 0.000 0.783 151 K N -0.832 119.558 120.400 -0.017 0.000 2.217 151 K HA -0.048 4.272 4.320 -0.000 0.000 0.202 151 K C 0.626 177.232 176.600 0.009 0.000 1.051 151 K CA 0.970 57.271 56.287 0.022 0.000 0.952 151 K CB -0.112 32.431 32.500 0.071 0.000 0.736 151 K HN 0.121 nan 8.250 nan 0.000 0.453 152 D N -0.254 120.127 120.400 -0.030 0.000 2.381 152 D HA 0.089 4.729 4.640 -0.000 0.000 0.245 152 D C -2.369 173.948 176.300 0.028 0.000 1.297 152 D CA -2.097 51.907 54.000 0.007 0.000 0.931 152 D CB 1.277 42.087 40.800 0.017 0.000 1.334 152 D HN -0.179 nan 8.370 nan 0.000 0.535 153 P HA -0.038 nan 4.420 nan 0.000 0.251 153 P C 0.692 178.197 177.300 0.341 0.000 1.251 153 P CA 0.334 63.473 63.100 0.065 0.000 0.763 153 P CB -0.023 31.406 31.700 -0.452 0.000 1.067 154 S N -3.006 112.862 115.700 0.279 0.000 2.548 154 S HA 0.116 4.586 4.470 -0.000 0.000 0.215 154 S C 0.835 175.602 174.600 0.278 0.000 0.976 154 S CA 0.009 58.388 58.200 0.299 0.000 0.908 154 S CB -0.469 62.848 63.200 0.195 0.000 0.781 154 S HN -0.018 nan 8.310 nan 0.000 0.519 155 T N 2.456 117.154 114.554 0.239 0.000 2.887 155 T HA 0.715 5.065 4.350 -0.000 0.000 0.288 155 T C -1.126 173.704 174.700 0.217 0.000 1.021 155 T CA -0.666 61.518 62.100 0.140 0.000 1.000 155 T CB 1.273 70.148 68.868 0.011 0.000 1.034 155 T HN 0.427 nan 8.240 nan 0.000 0.467 156 F N 0.338 120.287 119.950 -0.001 0.000 2.711 156 F HA 0.902 5.429 4.527 -0.000 0.000 0.313 156 F C -1.371 174.483 175.800 0.090 0.000 1.141 156 F CA -1.574 56.404 58.000 -0.037 0.000 0.941 156 F CB 0.769 39.506 39.000 -0.438 0.000 1.349 156 F HN 0.658 nan 8.300 nan 0.000 0.464 157 A N 1.201 124.263 122.820 0.404 0.000 2.374 157 A HA 0.820 5.140 4.320 -0.000 0.000 0.317 157 A C -1.072 176.673 177.584 0.269 0.000 1.094 157 A CA -0.321 51.822 52.037 0.176 0.000 0.765 157 A CB 1.233 20.210 19.000 -0.039 0.000 1.268 157 A HN 1.380 nan 8.150 nan 0.000 0.438 158 S N 0.707 116.561 115.700 0.257 0.000 2.502 158 S HA 0.758 5.228 4.470 -0.000 0.000 0.304 158 S C -0.023 174.637 174.600 0.100 0.000 1.097 158 S CA -0.161 58.198 58.200 0.265 0.000 1.045 158 S CB 1.549 65.090 63.200 0.569 0.000 1.019 158 S HN 1.552 nan 8.310 nan 0.000 0.481 159 G N 0.488 109.277 108.800 -0.020 0.000 2.335 159 G HA2 0.551 4.511 3.960 -0.000 0.000 0.316 159 G HA3 0.551 4.511 3.960 -0.000 0.000 0.316 159 G C -0.757 174.057 174.900 -0.143 0.000 1.129 159 G CA -0.649 44.410 45.100 -0.068 0.000 0.899 159 G HN 0.970 nan 8.290 nan 0.000 0.448 160 C N 3.538 122.715 119.300 -0.205 0.000 2.707 160 C HA 0.494 4.954 4.460 -0.000 0.000 0.313 160 C C 1.297 176.204 174.990 -0.137 0.000 1.209 160 C CA -0.712 58.148 59.018 -0.264 0.000 1.635 160 C CB 1.276 28.603 27.740 -0.688 0.000 2.206 160 C HN 0.630 nan 8.230 nan 0.000 0.485 161 L N 2.999 124.133 121.223 -0.148 0.000 2.549 161 L HA 0.060 4.400 4.340 -0.000 0.000 0.229 161 L C 1.706 178.449 176.870 -0.212 0.000 1.158 161 L CA 1.593 56.260 54.840 -0.288 0.000 0.842 161 L CB -0.739 40.879 42.059 -0.736 0.000 0.952 161 L HN 0.870 nan 8.230 nan 0.000 0.452 162 D N -1.821 118.556 120.400 -0.038 0.000 2.325 162 D HA -0.027 4.613 4.640 -0.000 0.000 0.234 162 D C 0.807 177.120 176.300 0.023 0.000 1.122 162 D CA -0.161 53.870 54.000 0.052 0.000 0.850 162 D CB -0.126 40.758 40.800 0.140 0.000 0.921 162 D HN 0.245 nan 8.370 nan 0.000 0.513 163 R N -1.811 118.678 120.500 -0.019 0.000 3.919 163 R HA -0.149 4.191 4.340 -0.000 0.000 0.412 163 R C -0.047 176.235 176.300 -0.030 0.000 1.102 163 R CA 1.300 57.389 56.100 -0.018 0.000 1.082 163 R CB -3.048 27.250 30.300 -0.004 0.000 1.671 163 R HN 0.562 nan 8.270 nan 0.000 0.540 164 T N -3.288 111.259 114.554 -0.011 0.000 2.907 164 T HA 0.736 5.086 4.350 -0.000 0.000 0.290 164 T C -0.212 174.485 174.700 -0.005 0.000 1.066 164 T CA -0.776 61.310 62.100 -0.023 0.000 1.012 164 T CB 2.858 71.743 68.868 0.028 0.000 1.184 164 T HN -0.044 nan 8.240 nan 0.000 0.522 165 V N 1.650 121.520 119.914 -0.073 0.000 2.540 165 V HA 0.580 4.700 4.120 -0.000 0.000 0.302 165 V C -0.444 175.570 176.094 -0.133 0.000 1.035 165 V CA -0.830 61.422 62.300 -0.079 0.000 0.873 165 V CB 1.775 33.475 31.823 -0.205 0.000 0.992 165 V HN 0.903 nan 8.190 nan 0.000 0.428 166 K N 3.362 123.695 120.400 -0.113 0.000 2.345 166 K HA 0.712 5.032 4.320 -0.000 0.000 0.255 166 K C -1.325 174.848 176.600 -0.712 0.000 0.934 166 K CA -0.689 55.272 56.287 -0.543 0.000 0.801 166 K CB 2.589 34.625 32.500 -0.773 0.000 1.137 166 K HN 0.415 nan 8.250 nan 0.000 0.424 167 V N 3.710 122.965 119.914 -1.099 0.000 2.370 167 V HA 0.368 4.488 4.120 -0.000 0.000 0.279 167 V C -0.973 174.553 176.094 -0.946 0.000 1.029 167 V CA -0.646 61.099 62.300 -0.924 0.000 0.870 167 V CB 0.197 31.348 31.823 -1.120 0.000 0.984 167 V HN 0.644 nan 8.190 nan 0.000 0.451 168 W N 2.232 122.999 121.300 -0.890 0.000 2.671 168 W HA 0.724 5.384 4.660 -0.000 0.000 0.360 168 W C 0.302 176.525 176.519 -0.494 0.000 1.128 168 W CA -0.933 55.974 57.345 -0.729 0.000 1.184 168 W CB 1.237 30.059 29.460 -1.064 0.000 1.415 168 W HN 0.372 nan 8.180 nan 0.000 0.604 169 S N 0.852 116.609 115.700 0.094 0.000 2.473 169 S HA 0.280 4.750 4.470 -0.000 0.000 0.307 169 S C 0.695 175.476 174.600 0.301 0.000 1.094 169 S CA -0.547 57.739 58.200 0.143 0.000 1.070 169 S CB 0.680 63.945 63.200 0.108 0.000 1.019 169 S HN 0.479 nan 8.310 nan 0.000 0.480 170 L N 4.815 126.227 121.223 0.315 0.000 2.103 170 L HA -0.103 4.237 4.340 -0.000 0.000 0.215 170 L C 2.404 179.424 176.870 0.249 0.000 1.080 170 L CA 2.562 57.616 54.840 0.357 0.000 0.764 170 L CB -1.018 41.174 42.059 0.222 0.000 0.890 170 L HN 0.861 nan 8.230 nan 0.000 0.435 171 G N -2.740 106.156 108.800 0.160 0.000 2.453 171 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.215 171 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.215 171 G C 0.760 175.701 174.900 0.067 0.000 1.147 171 G CA -0.145 45.003 45.100 0.080 0.000 0.802 171 G HN 0.302 nan 8.290 nan 0.000 0.535 172 Q N 0.288 120.166 119.800 0.129 0.000 2.354 172 Q HA 0.504 4.844 4.340 -0.000 0.000 0.244 172 Q C 1.205 177.287 176.000 0.138 0.000 0.969 172 Q CA 0.046 55.919 55.803 0.116 0.000 0.885 172 Q CB 1.664 30.475 28.738 0.122 0.000 1.241 172 Q HN 0.123 nan 8.270 nan 0.000 0.461 173 S N -0.560 115.188 115.700 0.082 0.000 2.475 173 S HA 0.033 4.503 4.470 -0.000 0.000 0.224 173 S C 0.597 175.324 174.600 0.211 0.000 1.042 173 S CA 0.214 58.458 58.200 0.073 0.000 0.935 173 S CB 0.413 63.614 63.200 0.001 0.000 0.801 173 S HN 0.622 nan 8.310 nan 0.000 0.509 174 T N 4.577 119.208 114.554 0.128 0.000 2.845 174 T HA 0.324 4.674 4.350 -0.000 0.000 0.288 174 T C -2.808 171.868 174.700 -0.041 0.000 0.980 174 T CA -2.243 59.885 62.100 0.046 0.000 1.071 174 T CB 0.796 69.660 68.868 -0.007 0.000 0.941 174 T HN -0.017 nan 8.240 nan 0.000 0.487 175 P HA 0.119 nan 4.420 nan 0.000 0.268 175 P C 0.365 177.416 177.300 -0.414 0.000 1.205 175 P CA -0.008 62.652 63.100 -0.733 0.000 0.771 175 P CB 0.585 31.463 31.700 -1.371 0.000 0.858 176 N N 1.364 119.841 118.700 -0.371 0.000 2.205 176 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 176 N C 0.277 175.792 175.510 0.008 0.000 1.015 176 N CA 1.048 54.017 53.050 -0.135 0.000 0.862 176 N CB -0.288 38.155 38.487 -0.073 0.000 0.986 176 N HN 0.559 nan 8.380 nan 0.000 0.429 177 F N -3.288 116.491 119.950 -0.284 0.000 2.829 177 F HA 0.400 4.927 4.527 -0.000 0.000 0.319 177 F C -1.717 173.902 175.800 -0.300 0.000 1.153 177 F CA -1.251 56.610 58.000 -0.231 0.000 0.912 177 F CB 0.981 39.901 39.000 -0.134 0.000 1.292 177 F HN -0.427 nan 8.300 nan 0.000 0.447 178 T N 2.789 117.367 114.554 0.040 0.000 2.876 178 T HA 0.735 5.085 4.350 -0.000 0.000 0.289 178 T C -1.113 173.619 174.700 0.054 0.000 1.014 178 T CA -0.663 61.376 62.100 -0.102 0.000 0.986 178 T CB 1.801 70.572 68.868 -0.161 0.000 1.021 178 T HN 0.686 nan 8.240 nan 0.000 0.458 179 L N 3.101 124.294 121.223 -0.049 0.000 2.349 179 L HA 0.473 4.813 4.340 -0.000 0.000 0.278 179 L C 0.335 177.072 176.870 -0.220 0.000 0.996 179 L CA -0.983 53.775 54.840 -0.137 0.000 0.825 179 L CB 1.843 43.736 42.059 -0.277 0.000 1.243 179 L HN 0.742 nan 8.230 nan 0.000 0.412 180 T N -2.566 111.886 114.554 -0.171 0.000 2.728 180 T HA 0.138 4.488 4.350 -0.000 0.000 0.296 180 T C 1.180 175.772 174.700 -0.181 0.000 0.940 180 T CA -0.399 61.626 62.100 -0.125 0.000 1.013 180 T CB 1.092 69.933 68.868 -0.044 0.000 0.912 180 T HN 0.752 nan 8.240 nan 0.000 0.484 181 T N -0.248 114.196 114.554 -0.183 0.000 3.023 181 T HA 0.235 4.585 4.350 -0.000 0.000 0.266 181 T C 2.029 176.855 174.700 0.210 0.000 1.093 181 T CA 0.556 62.616 62.100 -0.066 0.000 1.129 181 T CB -0.697 68.167 68.868 -0.008 0.000 0.899 181 T HN 1.495 nan 8.240 nan 0.000 0.491 182 G N 1.207 110.068 108.800 0.102 0.000 2.162 182 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 182 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 182 G C -0.019 174.933 174.900 0.087 0.000 0.976 182 G CA 0.182 45.343 45.100 0.101 0.000 0.655 182 G HN 0.660 nan 8.290 nan 0.000 0.533 183 Q N 0.084 119.936 119.800 0.087 0.000 2.571 183 Q HA 0.425 4.765 4.340 -0.000 0.000 0.222 183 Q C 0.950 176.968 176.000 0.030 0.000 1.167 183 Q CA -0.596 55.246 55.803 0.064 0.000 0.966 183 Q CB 0.795 29.584 28.738 0.086 0.000 1.274 183 Q HN 0.263 nan 8.270 nan 0.000 0.552 184 E N 1.181 121.395 120.200 0.023 0.000 2.233 184 E HA -0.203 4.146 4.350 -0.000 0.000 0.199 184 E C 1.230 177.828 176.600 -0.003 0.000 1.004 184 E CA 1.198 57.605 56.400 0.011 0.000 0.819 184 E CB 0.193 29.900 29.700 0.012 0.000 0.738 184 E HN 0.325 nan 8.360 nan 0.000 0.478 185 R N -0.661 119.836 120.500 -0.004 0.000 2.275 185 R HA 0.205 4.545 4.340 -0.000 0.000 0.199 185 R C 0.815 177.088 176.300 -0.045 0.000 0.989 185 R CA 0.821 56.909 56.100 -0.019 0.000 1.016 185 R CB 0.027 30.323 30.300 -0.006 0.000 0.918 185 R HN 0.184 nan 8.270 nan 0.000 0.473 186 G N -0.074 108.706 108.800 -0.035 0.000 2.555 186 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 186 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 186 G C -1.020 173.867 174.900 -0.021 0.000 1.275 186 G CA -0.811 44.255 45.100 -0.057 0.000 0.871 186 G HN -0.026 nan 8.290 nan 0.000 0.603 187 V N 1.940 121.839 119.914 -0.025 0.000 2.383 187 V HA 0.329 4.449 4.120 -0.000 0.000 0.275 187 V C 0.888 177.005 176.094 0.038 0.000 1.036 187 V CA -0.533 61.774 62.300 0.013 0.000 0.889 187 V CB 1.484 33.301 31.823 -0.010 0.000 0.985 187 V HN 0.714 nan 8.190 nan 0.000 0.459 188 N N 2.890 121.646 118.700 0.094 0.000 2.368 188 N HA 0.066 4.806 4.740 -0.000 0.000 0.176 188 N C -0.250 175.420 175.510 0.267 0.000 1.021 188 N CA 0.878 54.023 53.050 0.158 0.000 0.888 188 N CB 0.375 38.961 38.487 0.165 0.000 0.995 188 N HN 0.675 nan 8.380 nan 0.000 0.437 189 Y N -0.916 119.427 120.300 0.071 0.000 2.597 189 Y HA 0.526 5.076 4.550 -0.000 0.000 0.340 189 Y C -1.242 174.702 175.900 0.074 0.000 1.097 189 Y CA -0.993 57.163 58.100 0.093 0.000 1.037 189 Y CB 1.832 40.381 38.460 0.148 0.000 1.305 189 Y HN -0.309 nan 8.280 nan 0.000 0.463 190 V N 3.212 123.032 119.914 -0.157 0.000 2.932 190 V HA 0.631 4.751 4.120 -0.000 0.000 0.307 190 V C -2.113 173.933 176.094 -0.081 0.000 1.147 190 V CA -0.226 62.039 62.300 -0.057 0.000 0.951 190 V CB 2.139 33.897 31.823 -0.109 0.000 1.031 190 V HN 0.871 nan 8.190 nan 0.000 0.426 191 D N 3.169 123.613 120.400 0.073 0.000 2.753 191 D HA 0.497 5.137 4.640 -0.000 0.000 0.224 191 D C -1.759 174.728 176.300 0.310 0.000 1.213 191 D CA -0.172 53.953 54.000 0.207 0.000 0.833 191 D CB 1.933 42.940 40.800 0.345 0.000 1.607 191 D HN 0.469 nan 8.370 nan 0.000 0.463 192 Y N 1.304 121.875 120.300 0.452 0.000 2.352 192 Y HA 0.318 4.868 4.550 -0.000 0.000 0.326 192 Y C -0.277 175.956 175.900 0.556 0.000 1.166 192 Y CA -0.806 57.597 58.100 0.506 0.000 1.182 192 Y CB 1.098 39.768 38.460 0.351 0.000 1.216 192 Y HN 0.356 nan 8.280 nan 0.000 0.474 193 Y N 6.291 126.824 120.300 0.388 0.000 2.442 193 Y HA 0.146 4.696 4.550 -0.000 0.000 0.330 193 Y C -1.540 174.430 175.900 0.117 0.000 1.129 193 Y CA -2.140 55.849 58.100 -0.185 0.000 1.365 193 Y CB 1.056 39.163 38.460 -0.588 0.000 1.233 193 Y HN 0.414 nan 8.280 nan 0.000 0.529 194 P HA -0.078 nan 4.420 nan 0.000 0.221 194 P C -0.266 177.030 177.300 -0.007 0.000 1.155 194 P CA 1.024 64.106 63.100 -0.031 0.000 0.812 194 P CB 0.549 32.229 31.700 -0.033 0.000 0.801 195 L N 0.013 121.152 121.223 -0.140 0.000 2.418 195 L HA 0.256 4.596 4.340 -0.000 0.000 0.265 195 L C -1.364 175.696 176.870 0.317 0.000 1.143 195 L CA -2.132 52.788 54.840 0.133 0.000 0.809 195 L CB 0.079 42.227 42.059 0.149 0.000 1.124 195 L HN -0.283 nan 8.230 nan 0.000 0.456 196 P HA -0.123 nan 4.420 nan 0.000 0.223 196 P C 0.765 178.088 177.300 0.039 0.000 1.151 196 P CA 0.796 63.967 63.100 0.118 0.000 0.787 196 P CB 0.042 31.797 31.700 0.091 0.000 0.788 197 D N -0.344 120.083 120.400 0.045 0.000 2.309 197 D HA -0.131 4.509 4.640 -0.000 0.000 0.212 197 D C 0.261 176.385 176.300 -0.293 0.000 0.968 197 D CA 1.205 55.159 54.000 -0.076 0.000 0.882 197 D CB -0.293 40.493 40.800 -0.024 0.000 0.918 197 D HN 0.200 nan 8.370 nan 0.000 0.503 198 K N 0.681 120.779 120.400 -0.503 0.000 2.615 198 K HA 0.234 4.554 4.320 -0.000 0.000 0.249 198 K C -2.840 173.237 176.600 -0.870 0.000 0.977 198 K CA -1.524 54.180 56.287 -0.972 0.000 0.833 198 K CB 2.972 34.439 32.500 -1.722 0.000 1.208 198 K HN -0.133 nan 8.250 nan 0.000 0.443 199 P HA 0.057 nan 4.420 nan 0.000 0.237 199 P C -1.091 175.948 177.300 -0.435 0.000 1.788 199 P CA -0.023 62.656 63.100 -0.701 0.000 1.061 199 P CB -0.159 30.976 31.700 -0.942 0.000 1.967 200 Y N 1.161 121.387 120.300 -0.124 0.000 2.534 200 Y HA 0.619 5.169 4.550 -0.000 0.000 0.329 200 Y C 0.994 177.201 175.900 0.512 0.000 1.154 200 Y CA -1.774 56.402 58.100 0.126 0.000 1.192 200 Y CB 1.330 39.775 38.460 -0.026 0.000 1.275 200 Y HN 0.119 nan 8.280 nan 0.000 0.491 201 M N 2.220 122.266 119.600 0.743 0.000 2.575 201 M HA 0.543 5.023 4.480 -0.000 0.000 0.284 201 M C -1.670 175.015 176.300 0.642 0.000 1.253 201 M CA -0.676 54.998 55.300 0.623 0.000 0.861 201 M CB 3.661 36.478 32.600 0.361 0.000 1.733 201 M HN 0.607 nan 8.290 nan 0.000 0.462 202 I N 1.202 122.050 120.570 0.463 0.000 2.686 202 I HA 0.689 4.859 4.170 -0.000 0.000 0.295 202 I C -1.073 175.191 176.117 0.245 0.000 1.114 202 I CA -0.155 61.307 61.300 0.270 0.000 1.038 202 I CB 2.302 40.218 38.000 -0.139 0.000 1.238 202 I HN 0.850 nan 8.210 nan 0.000 0.420 203 T N 3.541 118.265 114.554 0.284 0.000 2.893 203 T HA 0.885 5.235 4.350 -0.000 0.000 0.291 203 T C -0.686 174.109 174.700 0.158 0.000 1.028 203 T CA -0.734 61.508 62.100 0.236 0.000 0.995 203 T CB 1.856 70.882 68.868 0.263 0.000 1.051 203 T HN 0.747 nan 8.240 nan 0.000 0.470 204 A N 1.390 124.297 122.820 0.146 0.000 2.355 204 A HA 0.902 5.222 4.320 -0.000 0.000 0.324 204 A C -0.022 177.607 177.584 0.074 0.000 1.117 204 A CA -0.789 51.296 52.037 0.079 0.000 0.785 204 A CB 1.694 20.729 19.000 0.058 0.000 1.254 204 A HN 1.201 nan 8.150 nan 0.000 0.453 205 S N -0.191 115.531 115.700 0.036 0.000 2.627 205 S HA 0.476 4.946 4.470 -0.000 0.000 0.283 205 S C -0.588 174.016 174.600 0.007 0.000 1.127 205 S CA -0.513 57.705 58.200 0.030 0.000 0.863 205 S CB 1.465 64.686 63.200 0.036 0.000 1.121 205 S HN 0.540 nan 8.310 nan 0.000 0.479 206 D N 1.370 121.775 120.400 0.008 0.000 2.363 206 D HA 0.038 4.678 4.640 -0.000 0.000 0.226 206 D C 0.897 177.198 176.300 0.002 0.000 1.020 206 D CA 0.486 54.487 54.000 0.002 0.000 0.892 206 D CB -0.040 40.768 40.800 0.013 0.000 0.900 206 D HN 0.709 nan 8.370 nan 0.000 0.531 207 D N 0.580 120.984 120.400 0.006 0.000 2.319 207 D HA -0.098 4.542 4.640 -0.000 0.000 0.230 207 D C 1.270 177.576 176.300 0.011 0.000 1.094 207 D CA -0.038 53.968 54.000 0.009 0.000 0.856 207 D CB -0.169 40.639 40.800 0.014 0.000 0.915 207 D HN 0.199 nan 8.370 nan 0.000 0.517 208 L N -1.182 120.047 121.223 0.010 0.000 5.081 208 L HA -0.216 4.124 4.340 -0.000 0.000 0.423 208 L C 0.555 177.447 176.870 0.036 0.000 1.019 208 L CA 1.026 55.883 54.840 0.029 0.000 1.223 208 L CB -2.865 39.216 42.059 0.035 0.000 1.940 208 L HN 0.399 nan 8.230 nan 0.000 0.675 209 T N -1.344 113.214 114.554 0.007 0.000 2.952 209 T HA 0.828 5.178 4.350 -0.000 0.000 0.286 209 T C -0.282 174.386 174.700 -0.053 0.000 1.024 209 T CA -0.675 61.407 62.100 -0.031 0.000 1.029 209 T CB 2.794 71.635 68.868 -0.045 0.000 1.094 209 T HN 0.186 nan 8.240 nan 0.000 0.515 210 I N 1.140 121.622 120.570 -0.147 0.000 2.499 210 I HA 0.460 4.630 4.170 -0.000 0.000 0.288 210 I C -0.355 175.602 176.117 -0.266 0.000 1.048 210 I CA -0.912 60.275 61.300 -0.190 0.000 1.062 210 I CB 2.216 40.014 38.000 -0.336 0.000 1.238 210 I HN 0.569 nan 8.210 nan 0.000 0.426 211 K N 6.257 126.542 120.400 -0.192 0.000 2.324 211 K HA 0.626 4.946 4.320 -0.000 0.000 0.253 211 K C -1.092 175.147 176.600 -0.602 0.000 0.932 211 K CA -0.817 55.201 56.287 -0.449 0.000 0.799 211 K CB 2.563 34.802 32.500 -0.436 0.000 1.154 211 K HN 0.345 nan 8.250 nan 0.000 0.425 212 I N 2.078 122.163 120.570 -0.808 0.000 2.385 212 I HA 0.329 4.499 4.170 -0.000 0.000 0.294 212 I C -0.717 174.895 176.117 -0.841 0.000 0.988 212 I CA -0.653 60.288 61.300 -0.598 0.000 1.265 212 I CB 0.504 38.155 38.000 -0.582 0.000 1.388 212 I HN 0.540 nan 8.210 nan 0.000 0.480 213 W N 3.577 124.822 121.300 -0.092 0.000 2.785 213 W HA 0.322 4.982 4.660 -0.000 0.000 0.333 213 W C -0.039 176.498 176.519 0.030 0.000 1.062 213 W CA -0.621 56.700 57.345 -0.040 0.000 1.233 213 W CB 1.010 30.512 29.460 0.070 0.000 1.413 213 W HN 0.360 nan 8.180 nan 0.000 0.489 214 D N 2.531 123.061 120.400 0.216 0.000 2.347 214 D HA -0.006 4.634 4.640 -0.000 0.000 0.235 214 D C 0.517 176.936 176.300 0.198 0.000 1.149 214 D CA -0.376 53.753 54.000 0.215 0.000 0.850 214 D CB 0.808 41.688 40.800 0.135 0.000 1.061 214 D HN 0.500 nan 8.370 nan 0.000 0.487 215 Y N 2.281 122.742 120.300 0.269 0.000 2.578 215 Y HA 0.104 4.654 4.550 -0.000 0.000 0.297 215 Y C 1.476 177.338 175.900 -0.062 0.000 1.176 215 Y CA 0.318 58.515 58.100 0.162 0.000 1.315 215 Y CB -0.289 38.404 38.460 0.388 0.000 1.031 215 Y HN 0.345 nan 8.280 nan 0.000 0.524 216 Q N -0.290 119.501 119.800 -0.016 0.000 2.390 216 Q HA 0.040 4.380 4.340 -0.000 0.000 0.216 216 Q C 1.457 177.416 176.000 -0.067 0.000 0.916 216 Q CA 1.208 56.989 55.803 -0.036 0.000 0.911 216 Q CB 0.245 28.947 28.738 -0.060 0.000 1.035 216 Q HN 0.432 nan 8.270 nan 0.000 0.541 217 T N 0.590 115.123 114.554 -0.035 0.000 3.051 217 T HA 0.017 4.367 4.350 -0.000 0.000 0.255 217 T C 0.280 174.973 174.700 -0.012 0.000 1.085 217 T CA 0.167 62.256 62.100 -0.019 0.000 1.109 217 T CB 0.264 69.137 68.868 0.009 0.000 0.921 217 T HN 0.088 nan 8.240 nan 0.000 0.488 218 K N 1.332 121.735 120.400 0.005 0.000 3.341 218 K HA -0.130 4.190 4.320 -0.000 0.000 0.305 218 K C 0.159 176.862 176.600 0.173 0.000 1.270 218 K CA 0.852 57.160 56.287 0.035 0.000 0.897 218 K CB -2.718 29.739 32.500 -0.072 0.000 1.264 218 K HN 0.673 nan 8.250 nan 0.000 0.468 219 S N -0.883 114.919 115.700 0.170 0.000 2.549 219 S HA 0.419 4.889 4.470 -0.000 0.000 0.297 219 S C 0.430 175.096 174.600 0.111 0.000 1.115 219 S CA -0.630 57.667 58.200 0.162 0.000 1.059 219 S CB 2.448 65.675 63.200 0.046 0.000 1.046 219 S HN 0.331 nan 8.310 nan 0.000 0.506 220 C N 4.034 123.291 119.300 -0.070 0.000 2.610 220 C HA 0.285 4.745 4.460 -0.000 0.000 0.382 220 C C 1.723 176.435 174.990 -0.464 0.000 1.287 220 C CA -0.388 58.249 59.018 -0.635 0.000 1.640 220 C CB -1.881 25.399 27.740 -0.766 0.000 2.335 220 C HN 0.770 nan 8.230 nan 0.000 0.577 221 V N 5.764 125.361 119.914 -0.527 0.000 2.548 221 V HA 0.124 4.244 4.120 -0.000 0.000 0.249 221 V C 1.302 177.083 176.094 -0.522 0.000 1.055 221 V CA 1.876 63.901 62.300 -0.457 0.000 1.065 221 V CB -0.883 30.569 31.823 -0.618 0.000 0.681 221 V HN 1.113 nan 8.190 nan 0.000 0.462 222 A N -1.650 120.750 122.820 -0.700 0.000 2.597 222 A HA 0.638 4.958 4.320 -0.000 0.000 0.292 222 A C -0.638 176.553 177.584 -0.654 0.000 1.057 222 A CA -0.347 51.270 52.037 -0.700 0.000 0.674 222 A CB 1.260 19.567 19.000 -1.156 0.000 1.278 222 A HN 0.001 nan 8.150 nan 0.000 0.416 223 T N 1.842 116.109 114.554 -0.478 0.000 2.815 223 T HA 0.530 4.880 4.350 -0.000 0.000 0.289 223 T C -0.982 173.511 174.700 -0.346 0.000 1.000 223 T CA -0.204 61.661 62.100 -0.391 0.000 0.958 223 T CB 0.445 69.152 68.868 -0.269 0.000 0.944 223 T HN 0.404 nan 8.240 nan 0.000 0.442 224 L N 3.856 124.813 121.223 -0.444 0.000 2.265 224 L HA 0.453 4.793 4.340 -0.000 0.000 0.288 224 L C 0.580 177.245 176.870 -0.340 0.000 1.058 224 L CA 0.109 54.611 54.840 -0.564 0.000 0.809 224 L CB 0.461 41.782 42.059 -1.230 0.000 1.179 224 L HN 0.585 nan 8.230 nan 0.000 0.429 225 E N 1.473 121.619 120.200 -0.089 0.000 2.238 225 E HA 0.744 5.094 4.350 -0.000 0.000 0.267 225 E C 0.300 177.025 176.600 0.208 0.000 0.887 225 E CA -0.177 56.248 56.400 0.042 0.000 0.769 225 E CB 2.220 31.929 29.700 0.015 0.000 1.187 225 E HN 0.699 nan 8.360 nan 0.000 0.416 226 G N 1.765 110.656 108.800 0.152 0.000 3.751 226 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.216 226 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.216 226 G C -0.268 174.639 174.900 0.011 0.000 0.911 226 G CA -0.569 44.582 45.100 0.085 0.000 0.869 226 G HN 0.560 nan 8.290 nan 0.000 0.462 227 H N 0.827 119.968 119.070 0.119 0.000 2.707 227 H HA 0.415 4.971 4.556 -0.000 0.000 0.359 227 H C 1.522 176.855 175.328 0.009 0.000 1.113 227 H CA -0.169 55.905 56.048 0.044 0.000 1.422 227 H CB 1.044 30.820 29.762 0.023 0.000 1.443 227 H HN -0.006 nan 8.280 nan 0.000 0.591 228 M N 0.587 120.271 119.600 0.140 0.000 2.510 228 M HA 0.115 4.595 4.480 -0.000 0.000 0.256 228 M C 0.183 176.498 176.300 0.025 0.000 1.132 228 M CA 0.583 55.917 55.300 0.057 0.000 1.105 228 M CB -0.028 32.592 32.600 0.032 0.000 1.375 228 M HN 0.344 nan 8.290 nan 0.000 0.477 229 S N 0.022 115.722 115.700 0.000 0.000 2.851 229 S HA 0.443 4.913 4.470 -0.000 0.000 0.317 229 S C -0.225 174.324 174.600 -0.086 0.000 1.144 229 S CA -0.927 57.244 58.200 -0.049 0.000 0.862 229 S CB 1.057 64.205 63.200 -0.087 0.000 1.259 229 S HN 0.226 nan 8.310 nan 0.000 0.564 230 N N 1.621 120.260 118.700 -0.102 0.000 2.412 230 N HA 0.088 4.828 4.740 -0.000 0.000 0.258 230 N C -0.763 174.613 175.510 -0.223 0.000 1.236 230 N CA 0.170 53.154 53.050 -0.110 0.000 0.882 230 N CB 0.079 38.528 38.487 -0.064 0.000 1.066 230 N HN 0.284 nan 8.380 nan 0.000 0.465 231 V N 2.150 121.943 119.914 -0.203 0.000 2.389 231 V HA 0.034 4.154 4.120 -0.000 0.000 0.264 231 V C 1.312 177.243 176.094 -0.272 0.000 1.049 231 V CA -0.216 61.882 62.300 -0.338 0.000 0.932 231 V CB 0.796 32.500 31.823 -0.198 0.000 1.011 231 V HN 0.664 nan 8.190 nan 0.000 0.475 232 S N 4.655 120.114 115.700 -0.402 0.000 2.428 232 S HA 0.130 4.600 4.470 -0.000 0.000 0.230 232 S C 0.179 174.715 174.600 -0.108 0.000 1.014 232 S CA 0.953 59.046 58.200 -0.178 0.000 0.957 232 S CB -0.183 62.947 63.200 -0.116 0.000 0.784 232 S HN 0.833 nan 8.310 nan 0.000 0.499 233 F N -2.041 117.771 119.950 -0.231 0.000 2.799 233 F HA 0.752 5.279 4.527 -0.000 0.000 0.316 233 F C -1.442 174.247 175.800 -0.186 0.000 1.155 233 F CA -1.756 56.008 58.000 -0.393 0.000 0.916 233 F CB 0.751 39.224 39.000 -0.877 0.000 1.294 233 F HN -0.136 nan 8.300 nan 0.000 0.447 234 A N 1.476 124.397 122.820 0.168 0.000 2.500 234 A HA 0.758 5.078 4.320 -0.000 0.000 0.291 234 A C -1.538 176.144 177.584 0.163 0.000 1.048 234 A CA -0.153 51.971 52.037 0.145 0.000 0.791 234 A CB 0.872 19.862 19.000 -0.015 0.000 1.309 234 A HN 2.314 nan 8.150 nan 0.000 0.397 235 V N -0.948 119.050 119.914 0.140 0.000 3.160 235 V HA 0.910 5.030 4.120 -0.000 0.000 0.310 235 V C -0.859 175.240 176.094 0.009 0.000 1.181 235 V CA -1.323 61.043 62.300 0.110 0.000 1.047 235 V CB 1.682 33.653 31.823 0.246 0.000 1.068 235 V HN 0.722 nan 8.190 nan 0.000 0.441 236 F N 1.171 121.287 119.950 0.276 0.000 2.404 236 F HA 0.505 5.032 4.527 -0.000 0.000 0.339 236 F C 0.719 176.636 175.800 0.195 0.000 1.105 236 F CA -0.282 57.872 58.000 0.258 0.000 1.087 236 F CB 0.844 39.995 39.000 0.252 0.000 1.143 236 F HN 0.725 nan 8.300 nan 0.000 0.491 237 H N 5.521 124.781 119.070 0.318 0.000 2.707 237 H HA 0.107 4.663 4.556 -0.000 0.000 0.359 237 H C -1.611 173.812 175.328 0.160 0.000 1.113 237 H CA -1.585 54.589 56.048 0.211 0.000 1.422 237 H CB 1.843 31.704 29.762 0.165 0.000 1.443 237 H HN 0.351 nan 8.280 nan 0.000 0.591 238 P HA -0.079 nan 4.420 nan 0.000 0.220 238 P C 1.001 178.448 177.300 0.246 0.000 1.152 238 P CA 1.465 64.660 63.100 0.158 0.000 0.812 238 P CB 0.427 32.181 31.700 0.090 0.000 0.792 239 T N -4.600 110.234 114.554 0.465 0.000 2.969 239 T HA 0.204 4.554 4.350 -0.000 0.000 0.250 239 T C 0.817 175.659 174.700 0.238 0.000 1.021 239 T CA -0.161 62.127 62.100 0.313 0.000 1.003 239 T CB -0.090 68.934 68.868 0.261 0.000 1.040 239 T HN -0.172 nan 8.240 nan 0.000 0.492 240 L N 2.770 124.018 121.223 0.041 0.000 2.344 240 L HA 0.482 4.822 4.340 -0.000 0.000 0.272 240 L C -2.153 174.608 176.870 -0.181 0.000 1.035 240 L CA -2.256 52.455 54.840 -0.215 0.000 0.807 240 L CB 1.298 43.082 42.059 -0.459 0.000 1.237 240 L HN -0.003 nan 8.230 nan 0.000 0.442 241 P HA 0.180 nan 4.420 nan 0.000 0.228 241 P C -0.551 176.709 177.300 -0.066 0.000 1.748 241 P CA 0.233 63.168 63.100 -0.276 0.000 0.909 241 P CB -0.268 31.080 31.700 -0.586 0.000 1.882 242 I N -3.014 117.599 120.570 0.071 0.000 3.264 242 I HA 0.615 4.785 4.170 -0.000 0.000 0.315 242 I C -1.017 175.296 176.117 0.326 0.000 1.154 242 I CA -2.070 59.335 61.300 0.175 0.000 0.962 242 I CB 2.290 40.354 38.000 0.106 0.000 1.265 242 I HN -0.312 nan 8.210 nan 0.000 0.463 243 I N 2.933 123.714 120.570 0.352 0.000 2.545 243 I HA 0.443 4.613 4.170 -0.000 0.000 0.292 243 I C -0.925 175.440 176.117 0.414 0.000 1.040 243 I CA -0.777 60.719 61.300 0.327 0.000 1.068 243 I CB 2.252 40.379 38.000 0.211 0.000 1.251 243 I HN 0.331 nan 8.210 nan 0.000 0.424 244 I N 4.538 125.317 120.570 0.349 0.000 2.404 244 I HA 0.481 4.651 4.170 -0.000 0.000 0.293 244 I C 0.135 176.503 176.117 0.417 0.000 0.992 244 I CA -0.356 61.180 61.300 0.393 0.000 1.149 244 I CB 1.360 39.576 38.000 0.360 0.000 1.315 244 I HN 0.588 nan 8.210 nan 0.000 0.446 245 S N 3.487 119.440 115.700 0.422 0.000 2.632 245 S HA 0.966 5.436 4.470 -0.000 0.000 0.289 245 S C -0.409 174.073 174.600 -0.196 0.000 1.115 245 S CA -0.772 57.536 58.200 0.179 0.000 0.889 245 S CB 2.526 65.982 63.200 0.428 0.000 1.116 245 S HN 0.945 nan 8.310 nan 0.000 0.486 246 G N -0.197 107.889 108.800 -1.191 0.000 2.701 246 G HA2 0.631 4.591 3.960 -0.000 0.000 0.300 246 G HA3 0.631 4.591 3.960 -0.000 0.000 0.300 246 G C -1.155 173.090 174.900 -1.093 0.000 1.410 246 G CA -0.540 43.805 45.100 -1.258 0.000 1.014 246 G HN 0.930 nan 8.290 nan 0.000 0.509 247 S N -0.032 115.189 115.700 -0.799 0.000 2.667 247 S HA 0.442 4.911 4.470 -0.000 0.000 0.292 247 S C 0.490 174.775 174.600 -0.525 0.000 1.126 247 S CA -0.583 57.183 58.200 -0.723 0.000 0.881 247 S CB 1.835 64.496 63.200 -0.898 0.000 1.132 247 S HN 0.549 nan 8.310 nan 0.000 0.492 248 E N 0.493 120.410 120.200 -0.472 0.000 2.494 248 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 248 E C -0.034 176.408 176.600 -0.262 0.000 1.074 248 E CA 0.392 56.512 56.400 -0.467 0.000 0.867 248 E CB -0.104 29.352 29.700 -0.407 0.000 0.924 248 E HN 0.655 nan 8.360 nan 0.000 0.502 249 D N -0.369 119.907 120.400 -0.206 0.000 2.328 249 D HA 0.029 4.669 4.640 -0.000 0.000 0.226 249 D C 1.215 177.474 176.300 -0.067 0.000 1.066 249 D CA 0.450 54.392 54.000 -0.097 0.000 0.861 249 D CB 0.017 40.798 40.800 -0.031 0.000 0.912 249 D HN 0.107 nan 8.370 nan 0.000 0.521 250 G N -1.108 107.636 108.800 -0.095 0.000 2.153 250 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 250 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 250 G C 0.299 175.232 174.900 0.055 0.000 0.994 250 G CA 0.558 45.655 45.100 -0.005 0.000 0.698 250 G HN 0.577 nan 8.290 nan 0.000 0.521 251 T N -0.517 114.056 114.554 0.032 0.000 2.932 251 T HA 0.716 5.066 4.350 -0.000 0.000 0.289 251 T C -0.862 173.912 174.700 0.123 0.000 1.039 251 T CA -0.495 61.660 62.100 0.091 0.000 1.024 251 T CB 1.585 70.520 68.868 0.112 0.000 1.090 251 T HN 0.337 nan 8.240 nan 0.000 0.496 252 L N 2.941 124.262 121.223 0.164 0.000 2.362 252 L HA 0.609 4.948 4.340 -0.000 0.000 0.275 252 L C -0.706 176.247 176.870 0.138 0.000 0.998 252 L CA -0.314 54.641 54.840 0.192 0.000 0.820 252 L CB 1.645 43.851 42.059 0.245 0.000 1.270 252 L HN 0.538 nan 8.230 nan 0.000 0.415 253 K N 4.978 125.472 120.400 0.156 0.000 2.397 253 K HA 0.627 4.947 4.320 -0.000 0.000 0.253 253 K C -1.221 175.332 176.600 -0.080 0.000 0.932 253 K CA -0.539 55.695 56.287 -0.089 0.000 0.795 253 K CB 2.376 34.681 32.500 -0.325 0.000 1.159 253 K HN 0.449 nan 8.250 nan 0.000 0.424 254 I N 2.842 123.280 120.570 -0.220 0.000 2.354 254 I HA 0.349 4.519 4.170 -0.000 0.000 0.292 254 I C -0.932 175.045 176.117 -0.232 0.000 0.989 254 I CA -0.699 60.564 61.300 -0.062 0.000 1.188 254 I CB 0.736 38.733 38.000 -0.005 0.000 1.342 254 I HN 0.429 nan 8.210 nan 0.000 0.457 255 W N 4.281 125.615 121.300 0.057 0.000 2.647 255 W HA 0.367 5.027 4.660 -0.000 0.000 0.353 255 W C 0.176 176.727 176.519 0.054 0.000 1.080 255 W CA -0.721 56.656 57.345 0.054 0.000 1.208 255 W CB 0.636 30.146 29.460 0.082 0.000 1.396 255 W HN 0.367 nan 8.180 nan 0.000 0.573 256 N N 0.688 119.552 118.700 0.273 0.000 2.411 256 N HA 0.059 4.799 4.740 -0.000 0.000 0.259 256 N C 0.797 176.351 175.510 0.073 0.000 1.103 256 N CA 0.034 53.152 53.050 0.114 0.000 0.954 256 N CB 0.794 39.310 38.487 0.049 0.000 1.085 256 N HN 0.406 nan 8.380 nan 0.000 0.485 257 S N 1.474 117.219 115.700 0.076 0.000 2.440 257 S HA -0.124 4.346 4.470 -0.000 0.000 0.240 257 S C 1.249 175.669 174.600 -0.299 0.000 1.014 257 S CA 1.167 59.421 58.200 0.090 0.000 0.980 257 S CB 0.056 63.393 63.200 0.227 0.000 0.775 257 S HN 0.620 nan 8.310 nan 0.000 0.499 258 S N -0.274 115.214 115.700 -0.353 0.000 2.620 258 S HA 0.057 4.527 4.470 -0.000 0.000 0.234 258 S C 2.022 176.287 174.600 -0.558 0.000 1.064 258 S CA 0.324 58.253 58.200 -0.452 0.000 0.920 258 S CB -0.474 62.628 63.200 -0.162 0.000 0.826 258 S HN 0.412 nan 8.310 nan 0.000 0.557 259 T N 0.620 115.009 114.554 -0.275 0.000 2.777 259 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 259 T C 0.050 174.748 174.700 -0.004 0.000 1.040 259 T CA 1.253 63.291 62.100 -0.104 0.000 1.141 259 T CB -0.425 68.437 68.868 -0.010 0.000 0.868 259 T HN 0.521 nan 8.240 nan 0.000 0.444 260 Y N 0.211 120.585 120.300 0.124 0.000 4.786 260 Y HA -0.210 4.340 4.550 -0.000 0.000 0.243 260 Y C 0.503 176.552 175.900 0.248 0.000 1.027 260 Y CA -0.066 58.117 58.100 0.140 0.000 2.052 260 Y CB -1.724 36.752 38.460 0.027 0.000 1.578 260 Y HN 0.161 nan 8.280 nan 0.000 0.655 261 K N 0.672 121.270 120.400 0.329 0.000 2.130 261 K HA 0.506 4.826 4.320 -0.000 0.000 0.268 261 K C 0.067 176.802 176.600 0.225 0.000 0.983 261 K CA -0.703 55.750 56.287 0.277 0.000 0.893 261 K CB 2.153 34.727 32.500 0.123 0.000 1.066 261 K HN -0.035 nan 8.250 nan 0.000 0.450 262 V N 2.974 122.893 119.914 0.009 0.000 2.557 262 V HA -0.087 4.033 4.120 -0.000 0.000 0.301 262 V C 0.917 176.836 176.094 -0.292 0.000 1.026 262 V CA 0.980 62.932 62.300 -0.580 0.000 1.137 262 V CB 0.742 32.101 31.823 -0.775 0.000 0.917 262 V HN 0.804 nan 8.190 nan 0.000 0.484 263 E N 5.115 125.140 120.200 -0.291 0.000 2.415 263 E HA 0.240 4.590 4.350 -0.000 0.000 0.197 263 E C 0.348 176.851 176.600 -0.161 0.000 1.007 263 E CA 0.446 56.756 56.400 -0.151 0.000 0.890 263 E CB 0.243 29.897 29.700 -0.077 0.000 0.891 263 E HN 0.718 nan 8.360 nan 0.000 0.496 264 K N -0.628 119.628 120.400 -0.240 0.000 2.707 264 K HA 0.102 4.422 4.320 -0.000 0.000 0.275 264 K C -1.790 174.684 176.600 -0.210 0.000 1.060 264 K CA -0.037 56.144 56.287 -0.176 0.000 0.969 264 K CB 0.195 32.637 32.500 -0.097 0.000 1.379 264 K HN 0.030 nan 8.250 nan 0.000 0.409 265 T N 1.759 116.212 114.554 -0.167 0.000 2.807 265 T HA 0.688 5.038 4.350 -0.000 0.000 0.279 265 T C -0.810 173.855 174.700 -0.058 0.000 0.993 265 T CA -0.836 61.181 62.100 -0.138 0.000 0.970 265 T CB 0.912 69.683 68.868 -0.162 0.000 0.950 265 T HN 0.245 nan 8.240 nan 0.000 0.441 266 L N 3.387 124.605 121.223 -0.010 0.000 2.346 266 L HA 0.609 4.949 4.340 -0.000 0.000 0.274 266 L C 0.111 176.998 176.870 0.027 0.000 1.007 266 L CA -0.665 54.182 54.840 0.012 0.000 0.818 266 L CB 1.745 43.828 42.059 0.040 0.000 1.284 266 L HN 0.747 nan 8.230 nan 0.000 0.424 267 N N 1.296 119.993 118.700 -0.005 0.000 2.623 267 N HA 0.156 4.896 4.740 -0.000 0.000 0.256 267 N C 0.524 175.987 175.510 -0.078 0.000 1.045 267 N CA -0.243 52.793 53.050 -0.023 0.000 0.863 267 N CB 1.733 40.203 38.487 -0.028 0.000 1.182 267 N HN 0.478 nan 8.380 nan 0.000 0.523 268 V N 0.992 120.822 119.914 -0.139 0.000 3.241 268 V HA 0.218 4.338 4.120 -0.000 0.000 0.269 268 V C 1.263 177.189 176.094 -0.281 0.000 1.151 268 V CA 1.007 63.166 62.300 -0.235 0.000 1.158 268 V CB -1.084 30.516 31.823 -0.372 0.000 0.764 268 V HN 0.697 nan 8.190 nan 0.000 0.508 269 G N 0.647 109.302 108.800 -0.242 0.000 2.182 269 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 269 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 269 G C 0.111 174.866 174.900 -0.242 0.000 1.042 269 G CA 0.443 45.423 45.100 -0.200 0.000 0.775 269 G HN 0.629 nan 8.290 nan 0.000 0.501 270 L N -1.173 119.841 121.223 -0.349 0.000 3.122 270 L HA 0.314 4.654 4.340 -0.000 0.000 0.274 270 L C 1.015 177.846 176.870 -0.065 0.000 1.222 270 L CA -0.176 54.494 54.840 -0.283 0.000 1.028 270 L CB -0.110 41.632 42.059 -0.527 0.000 1.386 270 L HN 0.296 nan 8.230 nan 0.000 0.578 271 E N 0.418 120.593 120.200 -0.041 0.000 3.063 271 E HA -0.211 4.139 4.350 -0.000 0.000 0.278 271 E C 0.114 176.771 176.600 0.094 0.000 1.396 271 E CA 0.709 57.126 56.400 0.028 0.000 1.759 271 E CB -0.513 29.214 29.700 0.044 0.000 1.971 271 E HN 0.285 nan 8.360 nan 0.000 0.538 272 R N 0.890 121.387 120.500 -0.004 0.000 2.522 272 R HA 0.230 4.570 4.340 -0.000 0.000 0.284 272 R C 0.386 176.427 176.300 -0.431 0.000 1.032 272 R CA 0.386 56.309 56.100 -0.295 0.000 1.049 272 R CB 0.446 30.416 30.300 -0.552 0.000 0.956 272 R HN 0.282 nan 8.270 nan 0.000 0.422 273 S N 2.162 117.530 115.700 -0.554 0.000 2.499 273 S HA 0.184 4.654 4.470 -0.000 0.000 0.279 273 S C -0.053 174.128 174.600 -0.698 0.000 1.219 273 S CA -0.638 57.118 58.200 -0.740 0.000 1.062 273 S CB 0.442 63.332 63.200 -0.518 0.000 0.978 273 S HN 0.655 nan 8.310 nan 0.000 0.489 274 W N 2.958 124.154 121.300 -0.174 0.000 3.097 274 W HA 0.288 4.948 4.660 -0.000 0.000 0.245 274 W C 0.530 177.082 176.519 0.055 0.000 1.120 274 W CA -0.432 56.900 57.345 -0.022 0.000 1.468 274 W CB -0.019 29.421 29.460 -0.035 0.000 0.851 274 W HN 0.847 nan 8.180 nan 0.000 0.692 275 C N -0.194 119.166 119.300 0.101 0.000 2.994 275 C HA 0.887 5.347 4.460 -0.000 0.000 0.304 275 C C -0.785 173.796 174.990 -0.681 0.000 1.273 275 C CA -1.230 57.664 59.018 -0.206 0.000 1.537 275 C CB 1.090 28.788 27.740 -0.070 0.000 2.001 275 C HN 0.128 nan 8.230 nan 0.000 0.471 276 I N 1.066 121.075 120.570 -0.935 0.000 2.865 276 I HA 0.912 5.082 4.170 -0.000 0.000 0.302 276 I C -0.368 175.550 176.117 -0.332 0.000 1.140 276 I CA -0.419 60.355 61.300 -0.877 0.000 1.021 276 I CB 2.108 39.129 38.000 -1.633 0.000 1.233 276 I HN 1.480 nan 8.210 nan 0.000 0.427 277 A N 2.753 125.512 122.820 -0.102 0.000 2.594 277 A HA 0.862 5.182 4.320 -0.000 0.000 0.295 277 A C -1.084 176.718 177.584 0.363 0.000 1.071 277 A CA -0.059 52.058 52.037 0.132 0.000 0.685 277 A CB 1.486 20.542 19.000 0.094 0.000 1.285 277 A HN 0.858 nan 8.150 nan 0.000 0.405 278 T N -1.502 113.263 114.554 0.352 0.000 2.900 278 T HA 0.589 4.939 4.350 -0.000 0.000 0.295 278 T C -0.424 174.268 174.700 -0.013 0.000 1.044 278 T CA -0.471 61.716 62.100 0.145 0.000 0.995 278 T CB 1.056 69.873 68.868 -0.085 0.000 1.072 278 T HN 0.887 nan 8.240 nan 0.000 0.473 279 H N 4.231 123.003 119.070 -0.496 0.000 3.107 279 H HA 0.203 4.759 4.556 -0.000 0.000 0.301 279 H C -1.291 173.988 175.328 -0.081 0.000 0.981 279 H CA -1.129 54.660 56.048 -0.431 0.000 1.443 279 H CB 0.938 30.481 29.762 -0.364 0.000 1.479 279 H HN 0.384 nan 8.280 nan 0.000 0.564 280 P HA -0.082 nan 4.420 nan 0.000 0.261 280 P C 0.062 177.393 177.300 0.051 0.000 1.288 280 P CA 0.927 63.990 63.100 -0.061 0.000 0.751 280 P CB 0.397 32.046 31.700 -0.085 0.000 1.103 281 T N -2.315 112.368 114.554 0.214 0.000 3.993 281 T HA 0.306 4.656 4.350 -0.000 0.000 0.314 281 T C 0.940 175.793 174.700 0.255 0.000 0.879 281 T CA 0.428 62.673 62.100 0.243 0.000 0.892 281 T CB -0.611 68.408 68.868 0.252 0.000 1.155 281 T HN 0.168 nan 8.240 nan 0.000 0.677 282 G N 2.642 111.607 108.800 0.275 0.000 2.203 282 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.263 282 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.263 282 G C 0.073 174.985 174.900 0.020 0.000 1.012 282 G CA 0.747 45.954 45.100 0.179 0.000 0.749 282 G HN 0.729 nan 8.290 nan 0.000 0.512 283 R N 0.653 121.028 120.500 -0.208 0.000 2.502 283 R HA 0.320 4.660 4.340 -0.000 0.000 0.292 283 R C 1.455 177.519 176.300 -0.394 0.000 0.998 283 R CA 0.621 56.509 56.100 -0.354 0.000 1.056 283 R CB -0.018 29.905 30.300 -0.628 0.000 0.939 283 R HN 0.369 nan 8.270 nan 0.000 0.411 284 K N 3.110 123.302 120.400 -0.346 0.000 2.971 284 K HA -0.397 3.923 4.320 -0.000 0.000 0.265 284 K C -0.463 175.912 176.600 -0.376 0.000 1.052 284 K CA 1.102 57.104 56.287 -0.475 0.000 0.780 284 K CB -1.117 30.799 32.500 -0.973 0.000 1.214 284 K HN 0.922 nan 8.250 nan 0.000 0.478 285 N N -1.404 117.213 118.700 -0.138 0.000 2.721 285 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 285 N C -0.508 175.086 175.510 0.140 0.000 1.072 285 N CA 1.354 54.455 53.050 0.086 0.000 0.710 285 N CB -1.529 36.974 38.487 0.027 0.000 0.993 285 N HN 0.432 nan 8.380 nan 0.000 0.547 286 Y N 0.221 120.523 120.300 0.004 0.000 2.597 286 Y HA 0.193 4.743 4.550 -0.000 0.000 0.336 286 Y C 1.675 177.520 175.900 -0.092 0.000 1.216 286 Y CA -0.310 57.736 58.100 -0.090 0.000 1.463 286 Y CB 0.491 38.745 38.460 -0.344 0.000 1.303 286 Y HN 0.194 nan 8.280 nan 0.000 0.576 287 I N 0.059 120.867 120.570 0.396 0.000 3.006 287 I HA 0.974 5.144 4.170 -0.000 0.000 0.306 287 I C -1.532 174.942 176.117 0.595 0.000 1.250 287 I CA -1.068 60.520 61.300 0.480 0.000 0.996 287 I CB 2.454 40.656 38.000 0.337 0.000 1.261 287 I HN 0.512 nan 8.210 nan 0.000 0.442 288 A N 2.474 125.557 122.820 0.439 0.000 2.520 288 A HA 0.842 5.162 4.320 -0.000 0.000 0.298 288 A C -1.154 176.465 177.584 0.059 0.000 1.051 288 A CA -0.482 51.651 52.037 0.159 0.000 0.690 288 A CB 1.897 20.744 19.000 -0.256 0.000 1.281 288 A HN 0.874 nan 8.150 nan 0.000 0.402 289 S N 0.179 115.960 115.700 0.135 0.000 2.549 289 S HA 0.779 5.249 4.470 -0.000 0.000 0.280 289 S C -0.097 174.531 174.600 0.048 0.000 1.109 289 S CA 0.166 58.355 58.200 -0.017 0.000 0.905 289 S CB 1.572 64.782 63.200 0.017 0.000 1.081 289 S HN 1.857 nan 8.310 nan 0.000 0.477 290 G N 2.336 111.023 108.800 -0.188 0.000 2.388 290 G HA2 0.712 4.672 3.960 -0.000 0.000 0.330 290 G HA3 0.712 4.672 3.960 -0.000 0.000 0.330 290 G C -1.435 173.338 174.900 -0.211 0.000 1.142 290 G CA -0.433 44.678 45.100 0.019 0.000 0.908 290 G HN 0.459 nan 8.290 nan 0.000 0.473 291 F N -0.590 119.495 119.950 0.224 0.000 2.664 291 F HA 0.393 4.920 4.527 -0.000 0.000 0.329 291 F C 1.071 177.051 175.800 0.300 0.000 1.090 291 F CA -1.171 56.957 58.000 0.214 0.000 0.978 291 F CB 1.194 40.232 39.000 0.064 0.000 1.378 291 F HN 0.354 nan 8.300 nan 0.000 0.495 292 D N -0.077 120.625 120.400 0.504 0.000 2.133 292 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 292 D C 0.996 177.428 176.300 0.220 0.000 0.997 292 D CA 1.696 55.923 54.000 0.378 0.000 0.840 292 D CB -0.030 40.936 40.800 0.277 0.000 0.947 292 D HN 0.343 nan 8.370 nan 0.000 0.452 293 N N -0.336 118.475 118.700 0.185 0.000 2.230 293 N HA 0.240 4.980 4.740 -0.000 0.000 0.202 293 N C 0.914 176.458 175.510 0.056 0.000 1.119 293 N CA 0.439 53.538 53.050 0.082 0.000 0.851 293 N CB 1.913 40.403 38.487 0.006 0.000 0.990 293 N HN 0.210 nan 8.380 nan 0.000 0.497 294 G N 0.408 109.302 108.800 0.158 0.000 2.302 294 G HA2 0.175 4.135 3.960 -0.000 0.000 0.264 294 G HA3 0.175 4.135 3.960 -0.000 0.000 0.264 294 G C -1.723 173.363 174.900 0.311 0.000 1.335 294 G CA -0.752 44.426 45.100 0.129 0.000 0.982 294 G HN 0.124 nan 8.290 nan 0.000 0.473 295 F N -1.336 118.611 119.950 -0.005 0.000 2.640 295 F HA 0.933 5.460 4.527 -0.000 0.000 0.324 295 F C -0.279 175.456 175.800 -0.107 0.000 1.077 295 F CA -0.512 57.532 58.000 0.072 0.000 0.965 295 F CB 2.030 41.028 39.000 -0.004 0.000 1.351 295 F HN 0.829 nan 8.300 nan 0.000 0.487 296 T N 0.981 115.669 114.554 0.224 0.000 2.923 296 T HA 0.607 4.957 4.350 -0.000 0.000 0.311 296 T C -2.124 172.711 174.700 0.225 0.000 1.183 296 T CA -0.573 61.531 62.100 0.006 0.000 1.020 296 T CB 1.613 70.451 68.868 -0.051 0.000 1.165 296 T HN 1.317 nan 8.240 nan 0.000 0.482 297 V N 6.307 126.322 119.914 0.169 0.000 2.531 297 V HA 0.820 4.940 4.120 -0.000 0.000 0.301 297 V C -1.586 174.637 176.094 0.215 0.000 1.034 297 V CA -0.589 61.827 62.300 0.193 0.000 0.865 297 V CB 1.061 32.906 31.823 0.037 0.000 0.995 297 V HN 0.888 nan 8.190 nan 0.000 0.424 298 L N 4.746 126.137 121.223 0.279 0.000 2.323 298 L HA 0.720 5.060 4.340 -0.000 0.000 0.265 298 L C -0.033 177.056 176.870 0.364 0.000 1.012 298 L CA -0.668 54.337 54.840 0.275 0.000 0.820 298 L CB 2.210 44.395 42.059 0.210 0.000 1.334 298 L HN 0.662 nan 8.230 nan 0.000 0.427 299 S N 0.464 116.330 115.700 0.277 0.000 2.449 299 S HA 0.534 5.004 4.470 -0.000 0.000 0.310 299 S C 0.489 175.149 174.600 0.100 0.000 1.096 299 S CA -0.641 57.653 58.200 0.156 0.000 1.095 299 S CB 0.872 64.108 63.200 0.060 0.000 1.007 299 S HN 0.608 nan 8.310 nan 0.000 0.474 300 L N 4.195 125.462 121.223 0.073 0.000 2.567 300 L HA 0.432 4.772 4.340 -0.000 0.000 0.225 300 L C 1.179 178.054 176.870 0.008 0.000 1.119 300 L CA 0.152 55.021 54.840 0.048 0.000 0.871 300 L CB -0.206 41.876 42.059 0.038 0.000 1.036 300 L HN 0.832 nan 8.230 nan 0.000 0.459 301 G N 0.042 108.838 108.800 -0.007 0.000 2.328 301 G HA2 0.027 3.987 3.960 -0.000 0.000 0.299 301 G HA3 0.027 3.987 3.960 -0.000 0.000 0.299 301 G C -1.493 173.395 174.900 -0.019 0.000 1.435 301 G CA -0.872 44.226 45.100 -0.002 0.000 0.865 301 G HN 0.214 nan 8.290 nan 0.000 0.601 302 N N -0.818 117.882 118.700 -0.000 0.000 2.508 302 N HA 0.392 5.132 4.740 -0.000 0.000 0.264 302 N C 0.175 175.676 175.510 -0.015 0.000 1.216 302 N CA 0.279 53.326 53.050 -0.006 0.000 0.943 302 N CB 1.228 39.726 38.487 0.018 0.000 1.113 302 N HN 0.518 nan 8.380 nan 0.000 0.447 303 D N -0.619 119.765 120.400 -0.025 0.000 2.615 303 D HA 0.033 4.673 4.640 -0.000 0.000 0.236 303 D C -0.735 175.519 176.300 -0.075 0.000 1.233 303 D CA -0.446 53.538 54.000 -0.027 0.000 0.829 303 D CB -0.534 40.252 40.800 -0.025 0.000 1.024 303 D HN 0.637 nan 8.370 nan 0.000 0.490 304 E N 2.398 122.505 120.200 -0.156 0.000 2.384 304 E HA 0.131 4.481 4.350 -0.000 0.000 0.266 304 E C -1.901 174.515 176.600 -0.308 0.000 1.012 304 E CA -1.386 54.751 56.400 -0.437 0.000 0.901 304 E CB 0.328 29.787 29.700 -0.403 0.000 0.967 304 E HN 0.296 nan 8.360 nan 0.000 0.435 305 P HA -0.031 nan 4.420 nan 0.000 0.268 305 P C -0.600 176.647 177.300 -0.088 0.000 1.205 305 P CA -0.094 62.913 63.100 -0.154 0.000 0.771 305 P CB 0.558 32.189 31.700 -0.115 0.000 0.858 306 T N 4.611 119.155 114.554 -0.016 0.000 2.997 306 T HA 0.482 4.832 4.350 -0.000 0.000 0.311 306 T C 0.192 174.960 174.700 0.113 0.000 1.079 306 T CA -0.231 61.882 62.100 0.022 0.000 0.982 306 T CB -0.797 68.061 68.868 -0.018 0.000 1.032 306 T HN 0.394 nan 8.240 nan 0.000 0.581 307 L N -0.438 120.862 121.223 0.128 0.000 2.720 307 L HA 0.973 5.313 4.340 -0.000 0.000 0.261 307 L C -1.229 175.770 176.870 0.216 0.000 1.046 307 L CA -0.891 54.080 54.840 0.218 0.000 0.886 307 L CB 2.131 44.337 42.059 0.246 0.000 1.493 307 L HN 0.312 nan 8.230 nan 0.000 0.407 308 S N 0.926 116.796 115.700 0.283 0.000 2.541 308 S HA 0.659 5.129 4.470 -0.000 0.000 0.271 308 S C -1.765 173.081 174.600 0.410 0.000 1.133 308 S CA -0.656 57.755 58.200 0.351 0.000 0.876 308 S CB 1.986 65.436 63.200 0.418 0.000 1.105 308 S HN 0.758 nan 8.310 nan 0.000 0.470 309 L N 4.384 125.771 121.223 0.274 0.000 2.325 309 L HA 0.489 4.829 4.340 -0.000 0.000 0.281 309 L C -0.461 176.343 176.870 -0.110 0.000 1.004 309 L CA -0.586 54.318 54.840 0.107 0.000 0.823 309 L CB 1.362 43.473 42.059 0.088 0.000 1.236 309 L HN 0.914 nan 8.230 nan 0.000 0.415 310 D N 5.627 125.772 120.400 -0.426 0.000 2.384 310 D HA 0.153 4.793 4.640 -0.000 0.000 0.244 310 D C -1.979 174.197 176.300 -0.206 0.000 1.251 310 D CA -1.518 52.152 54.000 -0.550 0.000 0.961 310 D CB 0.567 40.936 40.800 -0.717 0.000 1.116 310 D HN 0.242 nan 8.370 nan 0.000 0.484 311 P HA -0.162 nan 4.420 nan 0.000 0.217 311 P C 1.214 178.478 177.300 -0.059 0.000 1.151 311 P CA 2.045 65.107 63.100 -0.063 0.000 0.849 311 P CB 0.024 31.693 31.700 -0.052 0.000 0.787 312 V N -6.089 113.776 119.914 -0.081 0.000 3.621 312 V HA 0.588 4.708 4.120 -0.000 0.000 0.285 312 V C 1.261 177.300 176.094 -0.091 0.000 1.346 312 V CA 0.651 62.908 62.300 -0.072 0.000 1.104 312 V CB -0.369 31.418 31.823 -0.060 0.000 0.913 312 V HN 0.287 nan 8.190 nan 0.000 0.432 313 G N 0.286 109.021 108.800 -0.108 0.000 2.173 313 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.142 313 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.142 313 G C -0.077 174.768 174.900 -0.091 0.000 1.019 313 G CA -0.253 44.765 45.100 -0.136 0.000 0.699 313 G HN 0.530 nan 8.290 nan 0.000 0.495 314 K N 0.723 121.082 120.400 -0.067 0.000 2.284 314 K HA 0.533 4.853 4.320 -0.000 0.000 0.287 314 K C -0.312 176.335 176.600 0.077 0.000 1.081 314 K CA -0.607 55.682 56.287 0.002 0.000 0.910 314 K CB 1.645 34.148 32.500 0.005 0.000 1.088 314 K HN 0.136 nan 8.250 nan 0.000 0.478 315 L N 4.252 125.572 121.223 0.162 0.000 2.312 315 L HA 0.374 4.714 4.340 -0.000 0.000 0.281 315 L C -0.964 176.146 176.870 0.399 0.000 1.070 315 L CA -0.402 54.620 54.840 0.303 0.000 0.805 315 L CB 1.520 43.763 42.059 0.307 0.000 1.174 315 L HN 0.311 nan 8.230 nan 0.000 0.434 316 V N 5.099 125.272 119.914 0.431 0.000 2.709 316 V HA 0.643 4.763 4.120 -0.000 0.000 0.308 316 V C -1.105 175.189 176.094 0.333 0.000 1.062 316 V CA -0.382 62.041 62.300 0.205 0.000 0.901 316 V CB 1.592 33.462 31.823 0.080 0.000 1.003 316 V HN 0.946 nan 8.190 nan 0.000 0.425 317 W N 2.978 124.313 121.300 0.058 0.000 3.074 317 W HA 0.820 5.480 4.660 -0.000 0.000 0.332 317 W C -0.652 175.914 176.519 0.079 0.000 1.253 317 W CA -0.876 56.502 57.345 0.056 0.000 1.180 317 W CB 1.090 30.580 29.460 0.050 0.000 1.445 317 W HN 0.606 nan 8.180 nan 0.000 0.573 318 S N 1.587 117.415 115.700 0.214 0.000 2.578 318 S HA 0.887 5.357 4.470 -0.000 0.000 0.301 318 S C 0.387 175.143 174.600 0.259 0.000 1.091 318 S CA 0.059 58.326 58.200 0.111 0.000 1.032 318 S CB 1.235 64.425 63.200 -0.017 0.000 1.064 318 S HN 2.474 nan 8.310 nan 0.000 0.508 319 G N 1.224 110.193 108.800 0.282 0.000 2.498 319 G HA2 0.351 4.311 3.960 -0.000 0.000 0.251 319 G HA3 0.351 4.311 3.960 -0.000 0.000 0.251 319 G C 0.609 175.657 174.900 0.247 0.000 1.170 319 G CA 0.163 45.418 45.100 0.259 0.000 0.944 319 G HN 2.831 nan 8.290 nan 0.000 0.567 320 G N -1.588 107.293 108.800 0.136 0.000 2.592 320 G HA2 0.344 4.304 3.960 -0.000 0.000 0.684 320 G HA3 0.344 4.304 3.960 -0.000 0.000 0.684 320 G C -0.365 174.548 174.900 0.021 0.000 1.291 320 G CA 0.442 45.563 45.100 0.035 0.000 0.891 320 G HN 1.213 nan 8.290 nan 0.000 0.544 321 K N 1.115 121.508 120.400 -0.011 0.000 2.218 321 K HA 0.443 4.763 4.320 -0.000 0.000 0.276 321 K C 0.612 177.215 176.600 0.005 0.000 1.022 321 K CA -0.060 56.235 56.287 0.013 0.000 0.946 321 K CB 0.360 32.869 32.500 0.015 0.000 1.000 321 K HN 0.672 nan 8.250 nan 0.000 0.468 322 N N -0.570 118.152 118.700 0.036 0.000 2.780 322 N HA -0.200 4.540 4.740 -0.000 0.000 0.248 322 N C -1.265 174.284 175.510 0.066 0.000 1.102 322 N CA 1.161 54.239 53.050 0.047 0.000 0.697 322 N CB -1.117 37.387 38.487 0.028 0.000 1.028 322 N HN 0.718 nan 8.380 nan 0.000 0.554 323 A N -1.134 121.744 122.820 0.096 0.000 2.566 323 A HA 0.813 5.133 4.320 -0.000 0.000 0.297 323 A C -0.237 177.459 177.584 0.187 0.000 1.059 323 A CA -0.055 52.090 52.037 0.181 0.000 0.691 323 A CB 1.123 20.267 19.000 0.240 0.000 1.282 323 A HN 0.608 nan 8.150 nan 0.000 0.401 324 A N 0.763 123.690 122.820 0.180 0.000 2.483 324 A HA 0.528 4.848 4.320 -0.000 0.000 0.238 324 A C 1.518 179.197 177.584 0.159 0.000 1.070 324 A CA 0.511 52.640 52.037 0.152 0.000 0.770 324 A CB -0.093 18.961 19.000 0.090 0.000 1.008 324 A HN 2.317 nan 8.150 nan 0.000 0.497 325 A N 1.561 124.485 122.820 0.174 0.000 1.978 325 A HA -0.024 4.296 4.320 -0.000 0.000 0.220 325 A C 1.898 179.514 177.584 0.053 0.000 1.170 325 A CA 2.024 54.153 52.037 0.153 0.000 0.636 325 A CB -0.500 18.680 19.000 0.301 0.000 0.810 325 A HN 0.845 nan 8.150 nan 0.000 0.448 326 S N 0.378 116.110 115.700 0.054 0.000 2.743 326 S HA 0.135 4.605 4.470 -0.000 0.000 0.230 326 S C -0.587 173.943 174.600 -0.116 0.000 0.950 326 S CA -0.205 57.982 58.200 -0.022 0.000 0.976 326 S CB -0.345 62.863 63.200 0.013 0.000 0.779 326 S HN 0.492 nan 8.310 nan 0.000 0.487 327 D N 1.122 121.449 120.400 -0.121 0.000 2.233 327 D HA 0.497 5.137 4.640 -0.000 0.000 0.240 327 D C -0.648 175.293 176.300 -0.598 0.000 1.074 327 D CA -0.306 53.472 54.000 -0.370 0.000 0.838 327 D CB 0.879 41.550 40.800 -0.215 0.000 1.124 327 D HN -0.015 nan 8.370 nan 0.000 0.475 328 I N 3.400 123.401 120.570 -0.948 0.000 2.412 328 I HA 0.409 4.579 4.170 -0.000 0.000 0.296 328 I C -0.581 174.713 176.117 -1.371 0.000 0.987 328 I CA -0.315 60.404 61.300 -0.967 0.000 1.180 328 I CB 0.681 38.064 38.000 -1.029 0.000 1.340 328 I HN 0.228 nan 8.210 nan 0.000 0.455 329 F N 2.509 121.910 119.950 -0.916 0.000 2.654 329 F HA 0.808 5.335 4.527 -0.000 0.000 0.334 329 F C 0.303 175.383 175.800 -1.199 0.000 1.078 329 F CA -0.839 56.537 58.000 -1.041 0.000 0.986 329 F CB 2.034 40.338 39.000 -1.161 0.000 1.362 329 F HN 0.275 nan 8.300 nan 0.000 0.498 330 T N 0.100 114.233 114.554 -0.702 0.000 2.942 330 T HA 0.784 5.134 4.350 -0.000 0.000 0.327 330 T C -2.009 172.652 174.700 -0.065 0.000 1.360 330 T CA -0.400 61.456 62.100 -0.407 0.000 1.055 330 T CB 1.292 70.042 68.868 -0.198 0.000 1.261 330 T HN 1.149 nan 8.240 nan 0.000 0.485 331 A N 2.686 125.625 122.820 0.199 0.000 2.549 331 A HA 0.766 5.086 4.320 -0.000 0.000 0.297 331 A C -1.315 176.357 177.584 0.146 0.000 1.061 331 A CA -0.591 51.579 52.037 0.223 0.000 0.690 331 A CB 1.849 21.077 19.000 0.381 0.000 1.287 331 A HN 0.828 nan 8.150 nan 0.000 0.402 332 V N 2.926 122.883 119.914 0.071 0.000 2.394 332 V HA 0.334 4.454 4.120 -0.000 0.000 0.282 332 V C 0.009 176.092 176.094 -0.018 0.000 1.031 332 V CA -0.225 62.087 62.300 0.019 0.000 0.881 332 V CB 1.260 33.086 31.823 0.004 0.000 0.982 332 V HN 0.695 nan 8.190 nan 0.000 0.451 333 I N 6.108 126.630 120.570 -0.080 0.000 2.416 333 I HA 0.406 4.576 4.170 -0.000 0.000 0.288 333 I C 0.505 176.559 176.117 -0.105 0.000 1.051 333 I CA -0.051 61.161 61.300 -0.146 0.000 1.375 333 I CB 0.552 38.329 38.000 -0.373 0.000 1.407 333 I HN 0.564 nan 8.210 nan 0.000 0.516 334 R N 3.263 123.729 120.500 -0.056 0.000 2.892 334 R HA 0.406 4.746 4.340 -0.000 0.000 0.265 334 R C 1.157 177.458 176.300 0.001 0.000 1.025 334 R CA -0.725 55.359 56.100 -0.028 0.000 0.982 334 R CB 1.192 31.484 30.300 -0.014 0.000 1.185 334 R HN 0.739 nan 8.270 nan 0.000 0.484 335 G N 0.893 109.697 108.800 0.006 0.000 2.475 335 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.220 335 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.220 335 G C 0.680 175.595 174.900 0.025 0.000 1.125 335 G CA 0.963 46.077 45.100 0.023 0.000 0.755 335 G HN 0.687 nan 8.290 nan 0.000 0.565 336 N N 0.813 119.521 118.700 0.013 0.000 2.025 336 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 336 N C 0.177 175.696 175.510 0.015 0.000 1.058 336 N CA 1.000 54.056 53.050 0.009 0.000 0.905 336 N CB -0.399 38.091 38.487 0.004 0.000 1.060 336 N HN 0.118 nan 8.380 nan 0.000 0.577 337 E N 1.330 121.539 120.200 0.015 0.000 1.344 337 E HA -0.211 4.139 4.350 -0.000 0.000 0.224 337 E C -0.861 175.746 176.600 0.011 0.000 1.095 337 E CA 0.707 57.117 56.400 0.017 0.000 0.705 337 E CB -0.827 28.898 29.700 0.042 0.000 0.957 337 E HN 0.294 nan 8.360 nan 0.000 0.278 338 E N 1.839 122.038 120.200 -0.001 0.000 1.924 338 E HA 0.299 4.649 4.350 -0.000 0.000 0.261 338 E C -0.704 175.887 176.600 -0.015 0.000 1.088 338 E CA -0.389 56.006 56.400 -0.008 0.000 0.909 338 E CB 0.285 29.979 29.700 -0.010 0.000 1.112 338 E HN 0.174 nan 8.360 nan 0.000 0.425 339 V N 2.371 122.275 119.914 -0.017 0.000 3.165 339 V HA 0.351 4.471 4.120 -0.000 0.000 0.309 339 V C -0.280 175.799 176.094 -0.025 0.000 1.267 339 V CA -1.070 61.215 62.300 -0.024 0.000 1.067 339 V CB 2.301 34.103 31.823 -0.034 0.000 1.082 339 V HN 0.501 nan 8.190 nan 0.000 0.451 340 E N 0.012 120.199 120.200 -0.022 0.000 2.232 340 E HA 0.321 4.671 4.350 -0.000 0.000 0.265 340 E C 0.019 176.622 176.600 0.006 0.000 1.001 340 E CA -0.706 55.681 56.400 -0.021 0.000 0.870 340 E CB 0.981 30.669 29.700 -0.021 0.000 1.175 340 E HN 0.535 nan 8.360 nan 0.000 0.407 341 Q N 0.898 120.693 119.800 -0.009 0.000 2.515 341 Q HA -0.161 4.179 4.340 -0.000 0.000 0.215 341 Q C 0.361 176.450 176.000 0.149 0.000 0.983 341 Q CA 1.247 57.076 55.803 0.044 0.000 0.905 341 Q CB -0.249 28.458 28.738 -0.052 0.000 0.961 341 Q HN 0.506 nan 8.270 nan 0.000 0.503 342 D N -1.160 119.305 120.400 0.108 0.000 2.433 342 D HA 0.063 4.703 4.640 -0.000 0.000 0.211 342 D C -0.081 176.355 176.300 0.227 0.000 1.114 342 D CA -0.056 54.036 54.000 0.153 0.000 0.837 342 D CB 0.391 41.207 40.800 0.027 0.000 0.984 342 D HN -0.137 nan 8.370 nan 0.000 0.505 343 E N 1.646 121.928 120.200 0.137 0.000 2.212 343 E HA 0.327 4.677 4.350 -0.000 0.000 0.268 343 E C -2.517 173.951 176.600 -0.220 0.000 0.902 343 E CA -2.332 54.079 56.400 0.018 0.000 0.779 343 E CB 1.766 31.450 29.700 -0.027 0.000 1.172 343 E HN 0.089 nan 8.360 nan 0.000 0.409 344 P HA 0.120 nan 4.420 nan 0.000 0.271 344 P C -0.271 176.825 177.300 -0.340 0.000 1.216 344 P CA -0.453 62.205 63.100 -0.736 0.000 0.776 344 P CB 0.668 32.013 31.700 -0.592 0.000 0.881 345 L N 1.980 123.041 121.223 -0.269 0.000 2.464 345 L HA 0.158 4.498 4.340 -0.000 0.000 0.264 345 L C 1.082 177.899 176.870 -0.088 0.000 1.199 345 L CA 0.792 55.563 54.840 -0.115 0.000 0.818 345 L CB -0.057 41.981 42.059 -0.034 0.000 1.102 345 L HN 0.333 nan 8.230 nan 0.000 0.473 346 S N 3.039 118.708 115.700 -0.051 0.000 2.461 346 S HA 0.620 5.090 4.470 -0.000 0.000 0.322 346 S C -0.427 174.165 174.600 -0.012 0.000 1.063 346 S CA -0.542 57.639 58.200 -0.032 0.000 1.120 346 S CB 0.019 63.203 63.200 -0.025 0.000 0.968 346 S HN 0.298 nan 8.310 nan 0.000 0.467 347 L N 2.664 123.885 121.223 -0.002 0.000 2.334 347 L HA 0.472 4.812 4.340 -0.000 0.000 0.276 347 L C 0.055 176.960 176.870 0.058 0.000 1.014 347 L CA -1.154 53.702 54.840 0.026 0.000 0.815 347 L CB 0.997 43.077 42.059 0.034 0.000 1.268 347 L HN 0.335 nan 8.230 nan 0.000 0.428 348 Q N 2.225 122.061 119.800 0.059 0.000 2.286 348 Q HA 0.169 4.509 4.340 -0.000 0.000 0.265 348 Q C -0.230 175.835 176.000 0.107 0.000 1.080 348 Q CA 0.171 56.012 55.803 0.064 0.000 0.906 348 Q CB 0.526 29.289 28.738 0.042 0.000 1.227 348 Q HN 0.529 nan 8.270 nan 0.000 0.409 349 T N 3.558 118.188 114.554 0.127 0.000 2.909 349 T HA 0.471 4.821 4.350 -0.000 0.000 0.289 349 T C 0.173 174.935 174.700 0.104 0.000 1.005 349 T CA -0.396 61.813 62.100 0.182 0.000 1.084 349 T CB 0.905 69.903 68.868 0.216 0.000 0.975 349 T HN 0.310 nan 8.240 nan 0.000 0.509 350 K N 1.484 121.927 120.400 0.072 0.000 2.532 350 K HA 0.334 4.654 4.320 -0.000 0.000 0.265 350 K C -1.033 175.550 176.600 -0.029 0.000 0.948 350 K CA -0.886 55.412 56.287 0.018 0.000 0.842 350 K CB 2.289 34.775 32.500 -0.024 0.000 1.392 350 K HN 0.502 nan 8.250 nan 0.000 0.436 351 E N 1.813 121.962 120.200 -0.084 0.000 2.152 351 E HA 0.038 4.388 4.350 -0.000 0.000 0.285 351 E C 0.180 176.536 176.600 -0.407 0.000 1.043 351 E CA -0.204 56.019 56.400 -0.295 0.000 0.839 351 E CB 0.883 30.434 29.700 -0.247 0.000 1.069 351 E HN 0.312 nan 8.360 nan 0.000 0.399 352 L N 3.446 124.292 121.223 -0.629 0.000 2.202 352 L HA 0.259 4.599 4.340 -0.000 0.000 0.205 352 L C 0.691 177.015 176.870 -0.910 0.000 1.083 352 L CA 1.494 55.930 54.840 -0.673 0.000 0.790 352 L CB 0.197 41.776 42.059 -0.799 0.000 0.942 352 L HN 0.650 nan 8.230 nan 0.000 0.452 353 G N -1.968 106.177 108.800 -1.092 0.000 2.327 353 G HA2 0.373 4.333 3.960 -0.000 0.000 0.291 353 G HA3 0.373 4.333 3.960 -0.000 0.000 0.291 353 G C -1.461 172.911 174.900 -0.879 0.000 1.290 353 G CA -0.102 44.388 45.100 -1.017 0.000 0.857 353 G HN 0.378 nan 8.290 nan 0.000 0.520 354 S N -2.027 113.353 115.700 -0.533 0.000 2.751 354 S HA 0.914 5.384 4.470 -0.000 0.000 0.310 354 S C -0.926 173.570 174.600 -0.172 0.000 1.128 354 S CA -0.771 57.221 58.200 -0.347 0.000 0.931 354 S CB 2.074 65.141 63.200 -0.222 0.000 1.177 354 S HN 1.539 nan 8.310 nan 0.000 0.530 355 V N 0.717 120.571 119.914 -0.100 0.000 3.012 355 V HA 0.327 4.447 4.120 -0.000 0.000 0.307 355 V C -0.443 175.653 176.094 0.004 0.000 1.166 355 V CA -0.686 61.612 62.300 -0.003 0.000 0.974 355 V CB 2.299 34.139 31.823 0.028 0.000 1.040 355 V HN 0.979 nan 8.190 nan 0.000 0.428 356 D N 0.812 121.225 120.400 0.021 0.000 2.224 356 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 356 D C 0.688 177.003 176.300 0.025 0.000 0.965 356 D CA 1.320 55.322 54.000 0.003 0.000 0.852 356 D CB 0.151 40.931 40.800 -0.033 0.000 0.947 356 D HN 0.499 nan 8.370 nan 0.000 0.494 357 V N -2.206 117.733 119.914 0.042 0.000 3.211 357 V HA 0.418 4.538 4.120 -0.000 0.000 0.319 357 V C -0.206 175.961 176.094 0.122 0.000 1.096 357 V CA -1.303 61.046 62.300 0.081 0.000 1.029 357 V CB 1.143 33.009 31.823 0.072 0.000 1.137 357 V HN -0.060 nan 8.190 nan 0.000 0.453 358 F N 4.876 124.842 119.950 0.025 0.000 2.439 358 F HA 0.532 5.059 4.527 -0.000 0.000 0.356 358 F C -1.909 173.914 175.800 0.038 0.000 1.161 358 F CA -2.878 55.143 58.000 0.035 0.000 1.151 358 F CB 0.308 39.331 39.000 0.038 0.000 1.222 358 F HN 0.461 nan 8.300 nan 0.000 0.558 359 P HA -0.085 nan 4.420 nan 0.000 0.260 359 P C -0.602 176.424 177.300 -0.457 0.000 1.185 359 P CA 0.486 63.386 63.100 -0.333 0.000 0.763 359 P CB 0.960 32.513 31.700 -0.245 0.000 0.776 360 Q N 1.543 121.238 119.800 -0.175 0.000 2.423 360 Q HA 0.089 4.429 4.340 -0.000 0.000 0.231 360 Q C 0.425 176.406 176.000 -0.032 0.000 0.894 360 Q CA 0.527 56.284 55.803 -0.077 0.000 0.938 360 Q CB 0.480 29.248 28.738 0.050 0.000 1.079 360 Q HN 0.639 nan 8.270 nan 0.000 0.552 361 S N -0.073 115.620 115.700 -0.012 0.000 2.546 361 S HA 0.594 5.064 4.470 -0.000 0.000 0.274 361 S C -1.338 173.284 174.600 0.036 0.000 1.121 361 S CA -0.893 57.324 58.200 0.029 0.000 0.887 361 S CB 2.227 65.464 63.200 0.062 0.000 1.094 361 S HN 0.090 nan 8.310 nan 0.000 0.474 362 L N 1.966 123.234 121.223 0.073 0.000 2.406 362 L HA 0.858 5.198 4.340 -0.000 0.000 0.272 362 L C -1.195 175.766 176.870 0.151 0.000 0.980 362 L CA -0.338 54.557 54.840 0.092 0.000 0.831 362 L CB 1.149 43.260 42.059 0.086 0.000 1.253 362 L HN 1.215 nan 8.230 nan 0.000 0.406 363 A N 3.550 126.484 122.820 0.189 0.000 2.437 363 A HA 0.591 4.911 4.320 -0.000 0.000 0.293 363 A C -1.287 176.524 177.584 0.378 0.000 1.038 363 A CA -0.561 51.664 52.037 0.314 0.000 0.708 363 A CB 0.690 19.940 19.000 0.418 0.000 1.251 363 A HN 0.858 nan 8.150 nan 0.000 0.409 364 H N 1.204 120.438 119.070 0.274 0.000 2.690 364 H HA 0.399 4.955 4.556 -0.000 0.000 0.365 364 H C 1.333 176.593 175.328 -0.112 0.000 1.142 364 H CA 1.430 57.556 56.048 0.130 0.000 1.417 364 H CB 0.919 30.719 29.762 0.063 0.000 1.446 364 H HN 0.767 nan 8.280 nan 0.000 0.599 365 S N 3.034 118.444 115.700 -0.484 0.000 2.593 365 S HA 0.054 4.524 4.470 -0.000 0.000 0.269 365 S C -1.577 172.769 174.600 -0.423 0.000 1.334 365 S CA -1.177 56.188 58.200 -1.392 0.000 1.015 365 S CB 1.149 63.389 63.200 -1.600 0.000 0.912 365 S HN 0.543 nan 8.310 nan 0.000 0.541 366 P HA -0.196 nan 4.420 nan 0.000 0.218 366 P C 0.971 178.216 177.300 -0.092 0.000 1.146 366 P CA 1.236 64.296 63.100 -0.067 0.000 0.820 366 P CB -0.094 31.593 31.700 -0.022 0.000 0.778 367 N N -0.291 118.312 118.700 -0.161 0.000 2.028 367 N HA -0.117 4.623 4.740 -0.000 0.000 0.194 367 N C 1.764 177.192 175.510 -0.138 0.000 1.050 367 N CA 2.469 55.430 53.050 -0.147 0.000 0.848 367 N CB -0.735 37.633 38.487 -0.198 0.000 1.038 367 N HN 0.289 nan 8.380 nan 0.000 0.423 368 G N -0.532 108.187 108.800 -0.135 0.000 2.255 368 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.196 368 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.196 368 G C 1.069 175.949 174.900 -0.033 0.000 0.998 368 G CA 0.500 45.551 45.100 -0.081 0.000 0.656 368 G HN 0.472 nan 8.290 nan 0.000 0.490 369 R N -0.489 119.874 120.500 -0.227 0.000 2.148 369 R HA 0.318 4.658 4.340 -0.000 0.000 0.223 369 R C 0.139 176.081 176.300 -0.597 0.000 1.088 369 R CA 0.953 56.770 56.100 -0.470 0.000 0.985 369 R CB -0.115 29.736 30.300 -0.748 0.000 0.880 369 R HN 0.282 nan 8.270 nan 0.000 0.451 370 F N -0.862 119.068 119.950 -0.033 0.000 2.577 370 F HA 0.481 5.008 4.527 -0.000 0.000 0.318 370 F C -0.512 175.314 175.800 0.043 0.000 1.065 370 F CA -1.119 56.888 58.000 0.012 0.000 0.929 370 F CB 2.138 41.161 39.000 0.037 0.000 1.237 370 F HN -0.415 nan 8.300 nan 0.000 0.468 371 V N 1.307 121.402 119.914 0.302 0.000 2.577 371 V HA 0.517 4.637 4.120 -0.000 0.000 0.303 371 V C -0.610 175.622 176.094 0.231 0.000 1.042 371 V CA -0.571 61.838 62.300 0.181 0.000 0.872 371 V CB 2.127 34.018 31.823 0.113 0.000 0.998 371 V HN 0.827 nan 8.190 nan 0.000 0.423 372 T N 4.368 119.076 114.554 0.258 0.000 2.824 372 T HA 0.660 5.010 4.350 -0.000 0.000 0.280 372 T C -0.543 174.132 174.700 -0.040 0.000 0.995 372 T CA -0.407 61.677 62.100 -0.027 0.000 1.009 372 T CB 1.709 70.276 68.868 -0.500 0.000 0.955 372 T HN 0.358 nan 8.240 nan 0.000 0.452 373 V N 3.653 123.529 119.914 -0.064 0.000 2.407 373 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 373 V C -0.272 175.793 176.094 -0.048 0.000 1.018 373 V CA -0.826 61.470 62.300 -0.006 0.000 0.842 373 V CB 1.666 33.540 31.823 0.085 0.000 0.996 373 V HN 0.698 nan 8.190 nan 0.000 0.426 374 V N 3.481 123.372 119.914 -0.040 0.000 2.427 374 V HA 0.885 5.005 4.120 -0.000 0.000 0.286 374 V C 0.658 176.768 176.094 0.027 0.000 1.034 374 V CA -0.124 62.175 62.300 -0.002 0.000 0.893 374 V CB 1.681 33.511 31.823 0.011 0.000 0.982 374 V HN 1.014 nan 8.190 nan 0.000 0.452 375 G N 2.330 111.162 108.800 0.054 0.000 2.704 375 G HA2 0.457 4.417 3.960 -0.000 0.000 0.280 375 G HA3 0.457 4.417 3.960 -0.000 0.000 0.280 375 G C -0.671 174.293 174.900 0.106 0.000 1.499 375 G CA -0.438 44.712 45.100 0.083 0.000 1.146 375 G HN 0.679 nan 8.290 nan 0.000 0.558 376 D N 1.474 121.950 120.400 0.126 0.000 3.218 376 D HA -0.130 4.510 4.640 -0.000 0.000 0.213 376 D C 1.534 177.883 176.300 0.082 0.000 1.192 376 D CA 2.473 56.536 54.000 0.105 0.000 0.940 376 D CB -0.707 40.158 40.800 0.108 0.000 0.841 376 D HN 1.940 nan 8.370 nan 0.000 0.391 377 G N 2.304 111.152 108.800 0.081 0.000 2.168 377 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 377 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 377 G C 0.173 175.129 174.900 0.093 0.000 0.997 377 G CA 1.050 46.199 45.100 0.082 0.000 0.708 377 G HN 0.621 nan 8.290 nan 0.000 0.520 378 E N -1.761 118.497 120.200 0.097 0.000 2.433 378 E HA 0.667 5.017 4.350 -0.000 0.000 0.278 378 E C -0.922 175.749 176.600 0.118 0.000 0.976 378 E CA -1.089 55.362 56.400 0.085 0.000 0.793 378 E CB 1.928 31.643 29.700 0.025 0.000 1.311 378 E HN 0.643 nan 8.360 nan 0.000 0.460 379 Y N -1.506 118.761 120.300 -0.055 0.000 2.544 379 Y HA 0.688 5.238 4.550 -0.000 0.000 0.342 379 Y C -1.583 174.220 175.900 -0.162 0.000 1.062 379 Y CA -1.104 56.890 58.100 -0.176 0.000 1.023 379 Y CB 1.177 39.456 38.460 -0.301 0.000 1.308 379 Y HN 0.334 nan 8.280 nan 0.000 0.457 380 V N 1.740 121.555 119.914 -0.165 0.000 2.888 380 V HA 0.759 4.879 4.120 -0.000 0.000 0.309 380 V C -1.164 174.807 176.094 -0.206 0.000 1.114 380 V CA -1.128 61.036 62.300 -0.226 0.000 0.940 380 V CB 1.671 33.465 31.823 -0.047 0.000 1.021 380 V HN 0.903 nan 8.190 nan 0.000 0.426 381 I N 4.147 124.502 120.570 -0.357 0.000 2.474 381 I HA 0.690 4.860 4.170 -0.000 0.000 0.294 381 I C -1.100 174.674 176.117 -0.572 0.000 1.005 381 I CA -0.555 60.578 61.300 -0.278 0.000 1.113 381 I CB 2.084 40.008 38.000 -0.127 0.000 1.289 381 I HN 0.667 nan 8.210 nan 0.000 0.436 382 Y N 1.490 121.562 120.300 -0.380 0.000 2.605 382 Y HA 0.393 4.943 4.550 -0.000 0.000 0.343 382 Y C 0.366 176.144 175.900 -0.203 0.000 1.036 382 Y CA -0.998 56.734 58.100 -0.614 0.000 1.065 382 Y CB 2.089 39.501 38.460 -1.747 0.000 1.288 382 Y HN 0.510 nan 8.280 nan 0.000 0.481 383 T N -1.082 113.502 114.554 0.051 0.000 2.779 383 T HA 0.411 4.761 4.350 -0.000 0.000 0.296 383 T C 1.135 175.916 174.700 0.136 0.000 0.938 383 T CA -0.104 62.092 62.100 0.160 0.000 1.119 383 T CB 1.279 70.212 68.868 0.109 0.000 0.891 383 T HN 0.863 nan 8.240 nan 0.000 0.526 384 A N 4.268 127.166 122.820 0.130 0.000 1.940 384 A HA -0.002 4.318 4.320 -0.000 0.000 0.221 384 A C 1.273 178.988 177.584 0.219 0.000 1.190 384 A CA 0.954 53.123 52.037 0.220 0.000 0.647 384 A CB -0.564 18.539 19.000 0.172 0.000 0.821 384 A HN 0.854 nan 8.150 nan 0.000 0.457 385 L N -2.378 118.916 121.223 0.118 0.000 2.307 385 L HA 0.518 4.858 4.340 -0.000 0.000 0.282 385 L C 0.947 177.892 176.870 0.125 0.000 1.051 385 L CA 0.820 55.718 54.840 0.097 0.000 0.804 385 L CB 0.819 42.900 42.059 0.035 0.000 1.197 385 L HN 1.154 nan 8.230 nan 0.000 0.431 386 A N 4.859 127.756 122.820 0.128 0.000 4.159 386 A HA -0.243 4.077 4.320 -0.000 0.000 0.263 386 A C 0.827 178.562 177.584 0.253 0.000 0.889 386 A CA 1.303 53.422 52.037 0.135 0.000 1.227 386 A CB -2.121 16.932 19.000 0.088 0.000 1.051 386 A HN 1.294 nan 8.150 nan 0.000 0.820 387 W N 0.182 121.496 121.300 0.023 0.000 5.820 387 W HA -0.204 4.456 4.660 -0.000 0.000 0.415 387 W C -0.150 176.487 176.519 0.197 0.000 1.627 387 W CA 1.118 58.499 57.345 0.061 0.000 0.991 387 W CB -0.964 28.429 29.460 -0.111 0.000 2.842 387 W HN 0.706 nan 8.180 nan 0.000 1.416 388 R N 2.179 122.741 120.500 0.103 0.000 2.312 388 R HA 0.177 4.517 4.340 -0.000 0.000 0.311 388 R C 0.638 176.867 176.300 -0.119 0.000 1.004 388 R CA -0.794 55.332 56.100 0.043 0.000 0.902 388 R CB 0.909 31.217 30.300 0.013 0.000 1.073 388 R HN 0.099 nan 8.270 nan 0.000 0.457 389 N N 2.623 121.190 118.700 -0.222 0.000 2.468 389 N HA -0.055 4.685 4.740 -0.000 0.000 0.265 389 N C 0.082 175.297 175.510 -0.492 0.000 1.199 389 N CA 0.340 52.993 53.050 -0.661 0.000 0.928 389 N CB 0.807 38.986 38.487 -0.514 0.000 1.059 389 N HN 0.427 nan 8.380 nan 0.000 0.467 390 K N 2.275 122.291 120.400 -0.640 0.000 2.287 390 K HA 0.280 4.600 4.320 -0.000 0.000 0.199 390 K C 0.084 176.279 176.600 -0.674 0.000 1.061 390 K CA 0.342 56.173 56.287 -0.759 0.000 0.976 390 K CB 0.332 32.148 32.500 -1.141 0.000 0.898 390 K HN 0.641 nan 8.250 nan 0.000 0.492 391 A N 0.559 123.084 122.820 -0.492 0.000 2.564 391 A HA 0.715 5.035 4.320 -0.000 0.000 0.291 391 A C -1.727 175.637 177.584 -0.365 0.000 1.102 391 A CA -0.814 50.990 52.037 -0.388 0.000 0.660 391 A CB 0.920 19.856 19.000 -0.106 0.000 1.283 391 A HN 0.170 nan 8.150 nan 0.000 0.430 392 F N -2.503 117.106 119.950 -0.568 0.000 2.714 392 F HA 0.733 5.260 4.527 -0.000 0.000 0.313 392 F C -0.228 175.106 175.800 -0.776 0.000 1.104 392 F CA -0.062 57.430 58.000 -0.846 0.000 1.005 392 F CB 0.619 39.313 39.000 -0.510 0.000 1.268 392 F HN 1.658 nan 8.300 nan 0.000 0.449 393 G N 1.645 109.933 108.800 -0.852 0.000 2.561 393 G HA2 0.511 4.471 3.960 -0.000 0.000 0.310 393 G HA3 0.511 4.471 3.960 -0.000 0.000 0.310 393 G C -2.082 172.773 174.900 -0.076 0.000 1.292 393 G CA -1.303 43.618 45.100 -0.297 0.000 0.811 393 G HN 0.535 nan 8.290 nan 0.000 0.482 394 K N -0.253 120.214 120.400 0.111 0.000 2.172 394 K HA 0.623 4.943 4.320 -0.000 0.000 0.276 394 K C -0.413 176.337 176.600 0.251 0.000 1.013 394 K CA -0.208 56.167 56.287 0.147 0.000 0.913 394 K CB 1.080 33.646 32.500 0.110 0.000 1.055 394 K HN 1.129 nan 8.250 nan 0.000 0.461 395 C N 1.058 120.494 119.300 0.226 0.000 3.241 395 C HA 0.311 4.771 4.460 -0.000 0.000 0.348 395 C C 0.632 175.703 174.990 0.134 0.000 1.180 395 C CA -0.578 58.563 59.018 0.205 0.000 1.273 395 C CB 1.219 29.119 27.740 0.267 0.000 1.620 395 C HN 0.946 nan 8.230 nan 0.000 0.510 396 Q N 0.915 120.773 119.800 0.097 0.000 2.392 396 Q HA 0.276 4.616 4.340 -0.000 0.000 0.219 396 Q C -0.250 175.786 176.000 0.060 0.000 0.895 396 Q CA 0.645 56.490 55.803 0.070 0.000 0.929 396 Q CB 0.508 29.276 28.738 0.050 0.000 1.077 396 Q HN 0.827 nan 8.270 nan 0.000 0.532 397 D N -1.295 119.142 120.400 0.061 0.000 2.654 397 D HA 0.347 4.987 4.640 -0.000 0.000 0.231 397 D C -1.956 174.391 176.300 0.079 0.000 1.239 397 D CA -0.563 53.470 54.000 0.054 0.000 0.790 397 D CB 1.849 42.649 40.800 0.000 0.000 1.480 397 D HN -0.085 nan 8.370 nan 0.000 0.442 398 F N 2.136 122.018 119.950 -0.114 0.000 2.608 398 F HA 0.596 5.123 4.527 -0.000 0.000 0.309 398 F C -1.542 174.172 175.800 -0.144 0.000 1.103 398 F CA -0.449 57.421 58.000 -0.216 0.000 0.954 398 F CB 1.415 40.190 39.000 -0.374 0.000 1.267 398 F HN 0.187 nan 8.300 nan 0.000 0.444 399 V N 1.162 120.677 119.914 -0.665 0.000 2.932 399 V HA 0.527 4.647 4.120 -0.000 0.000 0.307 399 V C -1.600 174.222 176.094 -0.453 0.000 1.147 399 V CA -1.272 60.879 62.300 -0.250 0.000 0.951 399 V CB 1.236 33.138 31.823 0.132 0.000 1.031 399 V HN 0.878 nan 8.190 nan 0.000 0.426 400 W N 1.808 123.104 121.300 -0.007 0.000 2.261 400 W HA 0.677 5.337 4.660 -0.000 0.000 0.323 400 W C 1.129 177.508 176.519 -0.234 0.000 1.243 400 W CA 0.525 57.848 57.345 -0.037 0.000 1.210 400 W CB 1.419 30.941 29.460 0.104 0.000 1.149 400 W HN 1.052 nan 8.180 nan 0.000 0.562 401 G N 2.810 111.521 108.800 -0.148 0.000 2.539 401 G HA2 0.204 4.164 3.960 -0.000 0.000 0.258 401 G HA3 0.204 4.164 3.960 -0.000 0.000 0.258 401 G C -1.905 172.681 174.900 -0.523 0.000 1.202 401 G CA -1.004 43.534 45.100 -0.935 0.000 0.851 401 G HN 0.304 nan 8.290 nan 0.000 0.556 402 P HA -0.097 nan 4.420 nan 0.000 0.223 402 P C 1.023 178.210 177.300 -0.188 0.000 1.144 402 P CA 1.048 63.961 63.100 -0.312 0.000 0.783 402 P CB 0.334 31.844 31.700 -0.316 0.000 0.771 403 D N -1.018 119.255 120.400 -0.213 0.000 2.117 403 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 403 D C 0.831 177.099 176.300 -0.052 0.000 0.987 403 D CA 1.586 55.520 54.000 -0.110 0.000 0.829 403 D CB -0.280 40.452 40.800 -0.114 0.000 0.961 403 D HN -0.152 nan 8.370 nan 0.000 0.460 404 S N -1.662 114.024 115.700 -0.023 0.000 2.931 404 S HA -0.250 4.220 4.470 -0.000 0.000 0.271 404 S C 0.511 175.165 174.600 0.089 0.000 1.309 404 S CA 0.825 59.000 58.200 -0.042 0.000 1.181 404 S CB -2.001 61.154 63.200 -0.075 0.000 1.435 404 S HN 0.641 nan 8.310 nan 0.000 0.670 405 N N 0.078 118.817 118.700 0.066 0.000 2.545 405 N HA 0.234 4.974 4.740 -0.000 0.000 0.283 405 N C -0.818 174.580 175.510 -0.188 0.000 1.596 405 N CA 0.732 53.758 53.050 -0.039 0.000 0.862 405 N CB 0.521 38.988 38.487 -0.033 0.000 1.422 405 N HN 0.508 nan 8.380 nan 0.000 0.489 406 S N -0.195 115.464 115.700 -0.069 0.000 2.567 406 S HA 0.624 5.094 4.470 -0.000 0.000 0.270 406 S C -1.418 173.110 174.600 -0.119 0.000 1.152 406 S CA -0.683 57.320 58.200 -0.329 0.000 0.835 406 S CB 1.625 64.639 63.200 -0.310 0.000 1.115 406 S HN 0.276 nan 8.310 nan 0.000 0.459 407 Y N -1.697 118.418 120.300 -0.309 0.000 2.662 407 Y HA 0.870 5.420 4.550 -0.000 0.000 0.334 407 Y C -0.994 174.768 175.900 -0.230 0.000 1.185 407 Y CA -1.069 56.779 58.100 -0.420 0.000 1.074 407 Y CB 0.575 38.395 38.460 -1.067 0.000 1.330 407 Y HN 1.185 nan 8.280 nan 0.000 0.458 408 A N 3.187 125.993 122.820 -0.023 0.000 2.356 408 A HA 0.975 5.295 4.320 -0.000 0.000 0.323 408 A C -1.132 176.354 177.584 -0.164 0.000 1.119 408 A CA -0.606 51.428 52.037 -0.004 0.000 0.790 408 A CB 1.488 20.524 19.000 0.060 0.000 1.273 408 A HN 1.461 nan 8.150 nan 0.000 0.452 409 L N -1.158 120.039 121.223 -0.044 0.000 2.720 409 L HA 0.749 5.089 4.340 -0.000 0.000 0.261 409 L C -1.687 175.200 176.870 0.028 0.000 1.046 409 L CA -0.973 53.842 54.840 -0.041 0.000 0.886 409 L CB 1.789 43.814 42.059 -0.056 0.000 1.493 409 L HN 0.553 nan 8.230 nan 0.000 0.407 410 I N 2.183 122.774 120.570 0.035 0.000 2.354 410 I HA 0.261 4.431 4.170 -0.000 0.000 0.286 410 I C -0.376 175.786 176.117 0.074 0.000 1.007 410 I CA -0.488 60.837 61.300 0.042 0.000 1.167 410 I CB 1.460 39.472 38.000 0.020 0.000 1.320 410 I HN 0.721 nan 8.210 nan 0.000 0.458 411 D N 5.813 126.265 120.400 0.087 0.000 2.325 411 D HA -0.060 4.580 4.640 -0.000 0.000 0.262 411 D C 1.082 177.430 176.300 0.080 0.000 1.263 411 D CA -0.180 53.884 54.000 0.107 0.000 1.020 411 D CB 0.469 41.334 40.800 0.108 0.000 1.117 411 D HN 0.549 nan 8.370 nan 0.000 0.545 412 E N -1.099 119.148 120.200 0.078 0.000 2.427 412 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 412 E C 1.365 177.991 176.600 0.043 0.000 1.028 412 E CA 1.119 57.555 56.400 0.060 0.000 0.864 412 E CB -1.087 28.649 29.700 0.060 0.000 0.813 412 E HN 0.587 nan 8.360 nan 0.000 0.514 413 T N -2.992 111.586 114.554 0.040 0.000 3.107 413 T HA 0.385 4.735 4.350 -0.000 0.000 0.249 413 T C 1.380 176.092 174.700 0.021 0.000 1.096 413 T CA 0.448 62.565 62.100 0.027 0.000 1.012 413 T CB -0.128 68.754 68.868 0.024 0.000 0.977 413 T HN 0.328 nan 8.240 nan 0.000 0.527 414 G N 0.655 109.470 108.800 0.024 0.000 2.141 414 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.242 414 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.242 414 G C -0.265 174.638 174.900 0.004 0.000 0.982 414 G CA 0.050 45.158 45.100 0.015 0.000 0.662 414 G HN 0.681 nan 8.290 nan 0.000 0.527 415 Q N -0.767 119.039 119.800 0.011 0.000 2.248 415 Q HA 0.697 5.037 4.340 -0.000 0.000 0.263 415 Q C 0.398 176.408 176.000 0.016 0.000 1.007 415 Q CA -0.953 54.849 55.803 -0.001 0.000 0.877 415 Q CB 1.745 30.481 28.738 -0.003 0.000 1.315 415 Q HN 0.390 nan 8.270 nan 0.000 0.454 416 I N 2.075 122.650 120.570 0.007 0.000 2.474 416 I HA 0.214 4.384 4.170 -0.000 0.000 0.287 416 I C -0.066 176.114 176.117 0.106 0.000 1.048 416 I CA -0.096 61.232 61.300 0.046 0.000 1.383 416 I CB 0.401 38.422 38.000 0.035 0.000 1.412 416 I HN 0.277 nan 8.210 nan 0.000 0.531 417 K N 6.416 126.862 120.400 0.076 0.000 2.375 417 K HA 0.419 4.739 4.320 -0.000 0.000 0.249 417 K C -1.436 175.074 176.600 -0.151 0.000 0.942 417 K CA -0.845 55.441 56.287 -0.002 0.000 0.806 417 K CB 2.932 35.424 32.500 -0.013 0.000 1.227 417 K HN 0.502 nan 8.250 nan 0.000 0.430 418 Y N 1.445 121.372 120.300 -0.621 0.000 2.393 418 Y HA 0.390 4.940 4.550 -0.000 0.000 0.341 418 Y C -1.369 174.018 175.900 -0.855 0.000 0.988 418 Y CA -0.914 56.618 58.100 -0.947 0.000 1.078 418 Y CB 1.278 38.585 38.460 -1.923 0.000 1.203 418 Y HN 0.499 nan 8.280 nan 0.000 0.453 419 Y N 4.324 123.946 120.300 -1.132 0.000 2.425 419 Y HA 0.487 5.037 4.550 -0.000 0.000 0.344 419 Y C -0.728 174.362 175.900 -1.350 0.000 0.969 419 Y CA -1.065 56.331 58.100 -1.174 0.000 1.052 419 Y CB 2.057 39.632 38.460 -1.475 0.000 1.215 419 Y HN 0.363 nan 8.280 nan 0.000 0.451 420 K N 2.005 121.934 120.400 -0.785 0.000 2.426 420 K HA 0.220 4.539 4.320 -0.000 0.000 0.254 420 K C -0.423 175.923 176.600 -0.423 0.000 0.936 420 K CA -0.839 55.076 56.287 -0.620 0.000 0.801 420 K CB 1.680 33.897 32.500 -0.473 0.000 1.139 420 K HN 0.841 nan 8.250 nan 0.000 0.424 421 N N 3.264 121.695 118.700 -0.449 0.000 2.727 421 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 421 N C -0.899 174.494 175.510 -0.194 0.000 1.048 421 N CA 0.458 53.302 53.050 -0.343 0.000 0.714 421 N CB -0.807 37.623 38.487 -0.096 0.000 0.959 421 N HN 0.766 nan 8.380 nan 0.000 0.544 422 F N -2.789 117.098 119.950 -0.104 0.000 3.057 422 F HA -0.276 4.251 4.527 -0.000 0.000 0.287 422 F C 0.605 176.408 175.800 0.005 0.000 0.834 422 F CA 1.354 59.335 58.000 -0.031 0.000 1.147 422 F CB -1.531 37.450 39.000 -0.032 0.000 1.245 422 F HN 0.270 nan 8.300 nan 0.000 0.509 423 K N 1.262 121.694 120.400 0.053 0.000 2.463 423 K HA 0.336 4.656 4.320 -0.000 0.000 0.255 423 K C -0.044 176.501 176.600 -0.093 0.000 0.942 423 K CA -0.683 55.635 56.287 0.052 0.000 0.814 423 K CB 1.415 33.898 32.500 -0.027 0.000 1.122 423 K HN 0.191 nan 8.250 nan 0.000 0.425 424 E N 2.410 122.510 120.200 -0.167 0.000 2.442 424 E HA -0.007 4.343 4.350 -0.000 0.000 0.262 424 E C -0.768 175.579 176.600 -0.421 0.000 1.004 424 E CA 0.046 56.022 56.400 -0.707 0.000 0.928 424 E CB 0.746 30.096 29.700 -0.584 0.000 0.937 424 E HN 0.281 nan 8.360 nan 0.000 0.446 425 V N 5.814 125.454 119.914 -0.457 0.000 2.180 425 V HA 0.036 4.156 4.120 -0.000 0.000 0.265 425 V C 0.371 176.435 176.094 -0.049 0.000 1.214 425 V CA -0.330 61.844 62.300 -0.210 0.000 1.130 425 V CB -0.137 31.573 31.823 -0.189 0.000 1.266 425 V HN 0.803 nan 8.190 nan 0.000 0.473 426 T N 0.072 114.587 114.554 -0.066 0.000 2.856 426 T HA 0.227 4.577 4.350 -0.000 0.000 0.329 426 T C 1.121 175.853 174.700 0.054 0.000 1.094 426 T CA 0.441 62.536 62.100 -0.008 0.000 1.112 426 T CB 0.922 69.775 68.868 -0.026 0.000 1.009 426 T HN 1.619 nan 8.240 nan 0.000 0.550 427 S N -1.264 114.472 115.700 0.060 0.000 2.154 427 S HA -0.208 4.262 4.470 -0.000 0.000 0.247 427 S C -0.114 174.545 174.600 0.099 0.000 1.170 427 S CA 0.642 58.877 58.200 0.058 0.000 1.419 427 S CB -2.650 60.581 63.200 0.053 0.000 1.768 427 S HN 1.157 nan 8.310 nan 0.000 0.587 428 W N 3.486 124.764 121.300 -0.037 0.000 2.390 428 W HA 0.669 5.329 4.660 -0.000 0.000 0.312 428 W C 0.026 176.491 176.519 -0.090 0.000 1.123 428 W CA 0.676 58.000 57.345 -0.035 0.000 1.202 428 W CB 1.504 30.999 29.460 0.058 0.000 1.251 428 W HN 0.894 nan 8.180 nan 0.000 0.511 429 S N 3.733 119.024 115.700 -0.680 0.000 2.567 429 S HA 0.625 5.095 4.470 -0.000 0.000 0.270 429 S C -1.270 172.723 174.600 -1.011 0.000 1.152 429 S CA -0.787 57.036 58.200 -0.627 0.000 0.835 429 S CB 1.305 64.341 63.200 -0.273 0.000 1.115 429 S HN 1.190 nan 8.310 nan 0.000 0.459 430 V N -1.534 117.906 119.914 -0.790 0.000 2.558 430 V HA 0.568 4.688 4.120 -0.000 0.000 0.261 430 V C -3.234 172.519 176.094 -0.570 0.000 0.958 430 V CA -1.603 60.166 62.300 -0.885 0.000 0.852 430 V CB -0.186 30.846 31.823 -1.319 0.000 1.067 430 V HN 0.710 nan 8.190 nan 0.000 0.468 431 P HA 0.448 nan 4.420 nan 0.000 0.267 431 P C -0.529 176.541 177.300 -0.383 0.000 1.209 431 P CA 0.204 63.128 63.100 -0.293 0.000 0.763 431 P CB 0.589 32.173 31.700 -0.194 0.000 0.816 432 M N 2.967 122.362 119.600 -0.341 0.000 2.383 432 M HA 0.240 4.720 4.480 -0.000 0.000 0.325 432 M C 0.970 177.089 176.300 -0.303 0.000 1.092 432 M CA -0.300 54.746 55.300 -0.423 0.000 0.961 432 M CB 1.281 33.706 32.600 -0.292 0.000 1.672 432 M HN 0.362 nan 8.290 nan 0.000 0.438 433 H N -0.154 118.846 119.070 -0.116 0.000 2.436 433 H HA 0.223 4.779 4.556 -0.000 0.000 0.294 433 H C 0.234 175.544 175.328 -0.031 0.000 1.048 433 H CA 0.719 56.730 56.048 -0.061 0.000 1.353 433 H CB -0.115 29.620 29.762 -0.045 0.000 1.414 433 H HN 0.618 nan 8.280 nan 0.000 0.536 434 S N -0.211 115.522 115.700 0.054 0.000 2.751 434 S HA 0.713 5.183 4.470 -0.000 0.000 0.310 434 S C -0.049 174.562 174.600 0.017 0.000 1.128 434 S CA -0.739 57.494 58.200 0.056 0.000 0.931 434 S CB 2.223 65.484 63.200 0.102 0.000 1.177 434 S HN 0.345 nan 8.310 nan 0.000 0.530 435 A N 0.988 123.825 122.820 0.028 0.000 2.511 435 A HA 0.452 4.772 4.320 -0.000 0.000 0.242 435 A C 0.192 177.786 177.584 0.017 0.000 1.069 435 A CA -0.367 51.679 52.037 0.016 0.000 0.763 435 A CB -0.559 18.453 19.000 0.021 0.000 1.001 435 A HN 0.646 nan 8.150 nan 0.000 0.498 436 I N 2.778 123.347 120.570 -0.000 0.000 2.416 436 I HA 0.092 4.262 4.170 -0.000 0.000 0.288 436 I C 0.219 176.337 176.117 0.001 0.000 1.051 436 I CA 0.024 61.323 61.300 -0.003 0.000 1.375 436 I CB 0.651 38.637 38.000 -0.025 0.000 1.407 436 I HN 0.684 nan 8.210 nan 0.000 0.516 437 D N 5.458 125.863 120.400 0.007 0.000 2.149 437 D HA 0.043 4.683 4.640 -0.000 0.000 0.206 437 D C 0.906 177.177 176.300 -0.049 0.000 0.967 437 D CA 1.161 55.158 54.000 -0.004 0.000 0.848 437 D CB 0.425 41.236 40.800 0.018 0.000 0.998 437 D HN 0.645 nan 8.370 nan 0.000 0.474 438 R N -1.482 118.949 120.500 -0.114 0.000 2.780 438 R HA 0.427 4.767 4.340 -0.000 0.000 0.280 438 R C -1.647 174.438 176.300 -0.358 0.000 1.016 438 R CA -0.734 55.238 56.100 -0.214 0.000 0.854 438 R CB 0.501 30.648 30.300 -0.255 0.000 1.293 438 R HN -0.064 nan 8.270 nan 0.000 0.483 439 L N 0.188 121.184 121.223 -0.377 0.000 2.304 439 L HA 0.706 5.046 4.340 -0.000 0.000 0.268 439 L C -0.968 175.608 176.870 -0.491 0.000 1.010 439 L CA -1.096 53.551 54.840 -0.321 0.000 0.813 439 L CB 1.308 43.311 42.059 -0.094 0.000 1.315 439 L HN 0.443 nan 8.230 nan 0.000 0.445 440 F N -0.865 119.200 119.950 0.192 0.000 2.569 440 F HA 0.406 4.933 4.527 -0.000 0.000 0.312 440 F C 0.384 176.416 175.800 0.388 0.000 1.109 440 F CA -0.689 57.482 58.000 0.285 0.000 0.919 440 F CB 2.142 41.330 39.000 0.313 0.000 1.211 440 F HN 0.455 nan 8.300 nan 0.000 0.446 441 S N 0.979 117.060 115.700 0.634 0.000 2.694 441 S HA 0.984 5.454 4.470 -0.000 0.000 0.278 441 S C 0.189 175.172 174.600 0.638 0.000 1.152 441 S CA 0.069 58.664 58.200 0.659 0.000 1.010 441 S CB 1.573 65.080 63.200 0.512 0.000 1.104 441 S HN 1.726 nan 8.310 nan 0.000 0.547 442 G N -0.526 108.548 108.800 0.458 0.000 2.280 442 G HA2 0.406 4.366 3.960 -0.000 0.000 0.277 442 G HA3 0.406 4.366 3.960 -0.000 0.000 0.277 442 G C 0.554 175.303 174.900 -0.251 0.000 1.288 442 G CA 0.002 45.150 45.100 0.080 0.000 1.075 442 G HN 1.482 nan 8.290 nan 0.000 0.480 443 A N -0.762 121.372 122.820 -1.144 0.000 1.972 443 A HA 0.473 4.792 4.320 -0.000 0.000 0.219 443 A C 1.172 178.552 177.584 -0.341 0.000 1.169 443 A CA 1.924 53.455 52.037 -0.845 0.000 0.635 443 A CB -0.412 17.764 19.000 -1.372 0.000 0.810 443 A HN 1.144 nan 8.150 nan 0.000 0.446 444 L N -1.670 119.303 121.223 -0.417 0.000 2.393 444 L HA 0.460 4.800 4.340 -0.000 0.000 0.260 444 L C -0.738 176.036 176.870 -0.160 0.000 1.002 444 L CA -1.216 53.503 54.840 -0.201 0.000 0.818 444 L CB 1.952 43.836 42.059 -0.291 0.000 1.369 444 L HN 0.161 nan 8.230 nan 0.000 0.412 445 L N 1.665 122.366 121.223 -0.870 0.000 2.477 445 L HA 0.442 4.782 4.340 -0.000 0.000 0.272 445 L C 0.350 177.273 176.870 0.088 0.000 1.157 445 L CA 0.551 54.938 54.840 -0.755 0.000 0.889 445 L CB 0.472 41.923 42.059 -1.012 0.000 1.158 445 L HN 0.601 nan 8.230 nan 0.000 0.473 446 G N 4.707 113.701 108.800 0.323 0.000 2.343 446 G HA2 0.535 4.495 3.960 -0.000 0.000 0.319 446 G HA3 0.535 4.495 3.960 -0.000 0.000 0.319 446 G C -1.391 173.702 174.900 0.322 0.000 1.126 446 G CA -0.323 45.042 45.100 0.442 0.000 0.889 446 G HN 0.811 nan 8.290 nan 0.000 0.457 447 V N 3.082 123.135 119.914 0.233 0.000 2.524 447 V HA 0.623 4.743 4.120 -0.000 0.000 0.297 447 V C -0.406 175.817 176.094 0.215 0.000 1.035 447 V CA -1.135 61.266 62.300 0.168 0.000 0.867 447 V CB 1.427 33.363 31.823 0.189 0.000 1.004 447 V HN 0.750 nan 8.190 nan 0.000 0.426 448 K N 4.627 125.113 120.400 0.143 0.000 2.234 448 K HA 0.746 5.066 4.320 -0.000 0.000 0.282 448 K C -0.520 176.181 176.600 0.168 0.000 1.039 448 K CA 0.101 56.505 56.287 0.196 0.000 0.928 448 K CB 1.200 33.818 32.500 0.197 0.000 1.039 448 K HN 0.909 nan 8.250 nan 0.000 0.470 449 S N 2.911 118.756 115.700 0.243 0.000 2.586 449 S HA 0.142 4.612 4.470 -0.000 0.000 0.277 449 S C -1.134 173.652 174.600 0.310 0.000 1.131 449 S CA -0.238 58.101 58.200 0.231 0.000 0.848 449 S CB 1.065 64.388 63.200 0.204 0.000 1.091 449 S HN 0.903 nan 8.310 nan 0.000 0.453 450 D N 1.721 122.245 120.400 0.207 0.000 2.955 450 D HA -0.166 4.474 4.640 -0.000 0.000 0.226 450 D C 1.003 177.290 176.300 -0.021 0.000 1.178 450 D CA 3.151 57.270 54.000 0.199 0.000 0.808 450 D CB -1.339 39.718 40.800 0.429 0.000 1.099 450 D HN 1.921 nan 8.370 nan 0.000 0.421 451 G N -2.396 106.353 108.800 -0.086 0.000 2.176 451 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.253 451 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.253 451 G C 0.358 175.000 174.900 -0.429 0.000 0.979 451 G CA 0.438 45.358 45.100 -0.299 0.000 0.641 451 G HN 0.456 nan 8.290 nan 0.000 0.530 452 F N -0.810 119.094 119.950 -0.077 0.000 2.572 452 F HA 0.767 5.294 4.527 -0.000 0.000 0.342 452 F C 0.470 176.111 175.800 -0.265 0.000 1.064 452 F CA -1.287 56.562 58.000 -0.252 0.000 1.008 452 F CB 1.848 40.555 39.000 -0.489 0.000 1.303 452 F HN -0.041 nan 8.300 nan 0.000 0.492 453 V N 1.317 121.098 119.914 -0.221 0.000 2.444 453 V HA 0.329 4.449 4.120 -0.000 0.000 0.294 453 V C -1.307 174.410 176.094 -0.628 0.000 1.022 453 V CA -0.898 61.207 62.300 -0.325 0.000 0.850 453 V CB 1.057 32.614 31.823 -0.444 0.000 0.992 453 V HN 0.486 nan 8.190 nan 0.000 0.426 454 Y N 4.461 124.539 120.300 -0.370 0.000 2.341 454 Y HA 0.645 5.195 4.550 -0.000 0.000 0.337 454 Y C -0.283 175.248 175.900 -0.614 0.000 1.014 454 Y CA -0.672 57.139 58.100 -0.481 0.000 1.111 454 Y CB 1.417 39.689 38.460 -0.314 0.000 1.194 454 Y HN 0.488 nan 8.280 nan 0.000 0.462 455 F N 3.499 123.275 119.950 -0.290 0.000 2.436 455 F HA 0.560 5.087 4.527 -0.000 0.000 0.340 455 F C -0.737 174.749 175.800 -0.523 0.000 1.113 455 F CA -1.280 56.581 58.000 -0.232 0.000 1.022 455 F CB 0.752 39.696 39.000 -0.093 0.000 1.128 455 F HN 0.262 nan 8.300 nan 0.000 0.466 456 F N 0.651 120.600 119.950 -0.002 0.000 2.593 456 F HA 0.290 4.817 4.527 -0.000 0.000 0.320 456 F C 0.091 175.742 175.800 -0.247 0.000 1.060 456 F CA -1.141 56.770 58.000 -0.148 0.000 0.940 456 F CB 1.146 40.023 39.000 -0.205 0.000 1.268 456 F HN 0.282 nan 8.300 nan 0.000 0.475 457 D N 0.938 121.360 120.400 0.037 0.000 2.348 457 D HA -0.006 4.634 4.640 -0.000 0.000 0.253 457 D C 0.337 176.691 176.300 0.091 0.000 1.161 457 D CA 0.025 54.054 54.000 0.049 0.000 0.876 457 D CB 0.768 41.670 40.800 0.170 0.000 1.160 457 D HN 0.490 nan 8.370 nan 0.000 0.459 458 W N 2.458 123.820 121.300 0.105 0.000 2.358 458 W HA -0.140 4.520 4.660 -0.000 0.000 0.303 458 W C 1.985 178.539 176.519 0.058 0.000 1.208 458 W CA 0.429 57.793 57.345 0.033 0.000 1.274 458 W CB 0.014 29.481 29.460 0.011 0.000 1.138 458 W HN 0.455 nan 8.180 nan 0.000 0.515 459 D N -0.187 120.442 120.400 0.382 0.000 2.097 459 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 459 D C 1.330 177.864 176.300 0.391 0.000 0.989 459 D CA 1.872 56.085 54.000 0.355 0.000 0.827 459 D CB -0.724 40.233 40.800 0.262 0.000 0.966 459 D HN 0.395 nan 8.370 nan 0.000 0.456 460 N N -1.555 117.275 118.700 0.217 0.000 2.171 460 N HA 0.203 4.943 4.740 -0.000 0.000 0.212 460 N C 1.226 176.512 175.510 -0.374 0.000 1.184 460 N CA 0.575 53.619 53.050 -0.010 0.000 0.888 460 N CB 0.596 39.097 38.487 0.024 0.000 1.038 460 N HN 0.115 nan 8.380 nan 0.000 0.517 461 G N 0.521 109.132 108.800 -0.315 0.000 2.179 461 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.257 461 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.257 461 G C 0.140 174.923 174.900 -0.196 0.000 1.010 461 G CA 0.763 45.517 45.100 -0.575 0.000 0.736 461 G HN 0.805 nan 8.290 nan 0.000 0.513 462 T N -1.735 112.827 114.554 0.014 0.000 2.907 462 T HA 0.579 4.929 4.350 -0.000 0.000 0.298 462 T C 0.583 175.414 174.700 0.217 0.000 1.017 462 T CA -0.501 61.673 62.100 0.123 0.000 1.118 462 T CB 2.180 71.135 68.868 0.145 0.000 0.948 462 T HN 1.139 nan 8.240 nan 0.000 0.531 463 L N 4.360 125.687 121.223 0.174 0.000 2.462 463 L HA 0.250 4.590 4.340 -0.000 0.000 0.272 463 L C 0.827 177.638 176.870 -0.099 0.000 1.166 463 L CA 0.371 55.120 54.840 -0.151 0.000 0.880 463 L CB 0.443 42.423 42.059 -0.133 0.000 1.142 463 L HN 0.703 nan 8.230 nan 0.000 0.473 464 V N 4.275 124.062 119.914 -0.213 0.000 2.922 464 V HA 0.393 4.513 4.120 -0.000 0.000 0.242 464 V C 0.844 176.961 176.094 0.039 0.000 1.094 464 V CA 0.236 62.431 62.300 -0.176 0.000 1.106 464 V CB -0.318 31.252 31.823 -0.422 0.000 0.799 464 V HN 0.813 nan 8.190 nan 0.000 0.474 465 R N 0.055 120.574 120.500 0.031 0.000 2.728 465 R HA 0.318 4.658 4.340 -0.000 0.000 0.259 465 R C -1.825 174.422 176.300 -0.089 0.000 1.057 465 R CA -0.477 55.674 56.100 0.085 0.000 0.908 465 R CB 1.800 32.321 30.300 0.369 0.000 1.259 465 R HN 0.185 nan 8.270 nan 0.000 0.472 466 R N 4.336 124.721 120.500 -0.191 0.000 2.387 466 R HA 0.423 4.763 4.340 -0.000 0.000 0.314 466 R C -0.613 175.467 176.300 -0.367 0.000 0.958 466 R CA -0.604 55.231 56.100 -0.441 0.000 0.846 466 R CB 0.837 30.793 30.300 -0.573 0.000 1.147 466 R HN 0.401 nan 8.270 nan 0.000 0.447 467 I N 3.764 124.087 120.570 -0.411 0.000 2.359 467 I HA 0.169 4.339 4.170 -0.000 0.000 0.294 467 I C 0.013 176.027 176.117 -0.171 0.000 0.987 467 I CA -0.655 60.466 61.300 -0.299 0.000 1.225 467 I CB 1.633 39.432 38.000 -0.335 0.000 1.366 467 I HN 0.536 nan 8.210 nan 0.000 0.466 468 D N 4.835 125.178 120.400 -0.095 0.000 2.870 468 D HA 0.133 4.773 4.640 -0.000 0.000 0.241 468 D C 0.250 176.463 176.300 -0.144 0.000 1.234 468 D CA 0.301 54.336 54.000 0.058 0.000 0.844 468 D CB 0.178 41.027 40.800 0.081 0.000 1.051 468 D HN 0.325 nan 8.370 nan 0.000 0.469 469 V N -0.856 118.936 119.914 -0.204 0.000 2.769 469 V HA 0.500 4.620 4.120 -0.000 0.000 0.312 469 V C -0.337 175.655 176.094 -0.169 0.000 1.061 469 V CA -1.122 61.044 62.300 -0.224 0.000 0.931 469 V CB 2.353 33.997 31.823 -0.298 0.000 1.010 469 V HN -0.106 nan 8.190 nan 0.000 0.433 470 N N 4.132 122.754 118.700 -0.128 0.000 2.968 470 N HA 0.458 5.198 4.740 -0.000 0.000 0.271 470 N C 0.154 175.646 175.510 -0.029 0.000 1.174 470 N CA 0.391 53.388 53.050 -0.089 0.000 1.096 470 N CB 0.128 38.564 38.487 -0.085 0.000 1.403 470 N HN 1.148 nan 8.380 nan 0.000 0.522 471 A N 2.222 125.026 122.820 -0.027 0.000 2.511 471 A HA 0.087 4.407 4.320 -0.000 0.000 0.242 471 A C 1.326 178.966 177.584 0.093 0.000 1.069 471 A CA -0.134 51.896 52.037 -0.012 0.000 0.763 471 A CB 0.408 19.334 19.000 -0.122 0.000 1.001 471 A HN 0.662 nan 8.150 nan 0.000 0.498 472 K N 0.001 120.446 120.400 0.076 0.000 2.334 472 K HA 0.067 4.387 4.320 -0.000 0.000 0.195 472 K C -0.595 176.136 176.600 0.218 0.000 1.045 472 K CA 0.850 57.221 56.287 0.140 0.000 1.004 472 K CB 0.282 32.837 32.500 0.092 0.000 0.837 472 K HN 0.862 nan 8.250 nan 0.000 0.510 473 D N -0.987 119.460 120.400 0.078 0.000 2.685 473 D HA 0.216 4.856 4.640 -0.000 0.000 0.236 473 D C -1.867 174.226 176.300 -0.345 0.000 1.233 473 D CA -0.424 53.600 54.000 0.040 0.000 0.760 473 D CB 2.066 42.964 40.800 0.163 0.000 1.410 473 D HN -0.208 nan 8.370 nan 0.000 0.439 474 V N 2.657 122.272 119.914 -0.499 0.000 2.588 474 V HA 0.613 4.732 4.120 -0.000 0.000 0.304 474 V C -0.212 175.909 176.094 0.044 0.000 1.042 474 V CA -0.577 61.497 62.300 -0.376 0.000 0.877 474 V CB 1.709 33.163 31.823 -0.614 0.000 0.996 474 V HN 0.485 nan 8.190 nan 0.000 0.425 475 I N 3.595 124.220 120.570 0.092 0.000 2.476 475 I HA 0.350 4.520 4.170 -0.000 0.000 0.281 475 I C -0.996 175.376 176.117 0.425 0.000 1.040 475 I CA -0.158 61.353 61.300 0.351 0.000 1.094 475 I CB 1.467 39.734 38.000 0.445 0.000 1.219 475 I HN 0.552 nan 8.210 nan 0.000 0.450 476 W N 4.617 126.126 121.300 0.349 0.000 2.251 476 W HA 0.410 5.070 4.660 -0.000 0.000 0.329 476 W C 1.068 177.672 176.519 0.141 0.000 1.234 476 W CA -0.011 57.444 57.345 0.184 0.000 1.228 476 W CB 1.215 30.750 29.460 0.125 0.000 1.135 476 W HN 0.475 nan 8.180 nan 0.000 0.576 477 S N 0.451 116.113 115.700 -0.063 0.000 2.624 477 S HA -0.010 4.460 4.470 -0.000 0.000 0.263 477 S C 0.898 175.580 174.600 0.137 0.000 1.287 477 S CA -0.081 58.009 58.200 -0.183 0.000 0.990 477 S CB 1.051 63.855 63.200 -0.660 0.000 0.950 477 S HN 0.615 nan 8.310 nan 0.000 0.561 478 D N 1.582 122.081 120.400 0.166 0.000 2.106 478 D HA -0.235 4.405 4.640 -0.000 0.000 0.191 478 D C 1.446 177.810 176.300 0.107 0.000 0.997 478 D CA 2.181 56.273 54.000 0.154 0.000 0.834 478 D CB -0.448 40.442 40.800 0.151 0.000 0.956 478 D HN 0.783 nan 8.370 nan 0.000 0.448 479 N N -0.686 118.062 118.700 0.080 0.000 2.383 479 N HA 0.086 4.826 4.740 -0.000 0.000 0.192 479 N C 1.189 176.752 175.510 0.087 0.000 1.141 479 N CA 0.931 54.021 53.050 0.066 0.000 0.851 479 N CB -0.075 38.441 38.487 0.047 0.000 0.976 479 N HN 0.238 nan 8.380 nan 0.000 0.465 480 G N -0.183 108.699 108.800 0.137 0.000 2.225 480 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.267 480 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.267 480 G C 0.489 175.619 174.900 0.383 0.000 1.024 480 G CA 0.704 45.938 45.100 0.223 0.000 0.784 480 G HN 0.555 nan 8.290 nan 0.000 0.507 481 E N -1.651 118.696 120.200 0.243 0.000 2.372 481 E HA 0.277 4.627 4.350 -0.000 0.000 0.201 481 E C 0.480 177.154 176.600 0.123 0.000 0.938 481 E CA 0.026 56.548 56.400 0.203 0.000 0.944 481 E CB 0.463 30.196 29.700 0.055 0.000 0.937 481 E HN 0.371 nan 8.360 nan 0.000 0.495 482 L N 0.589 121.753 121.223 -0.100 0.000 2.330 482 L HA 0.480 4.820 4.340 -0.000 0.000 0.271 482 L C -0.670 175.872 176.870 -0.547 0.000 1.013 482 L CA -0.824 53.769 54.840 -0.411 0.000 0.816 482 L CB 2.073 43.571 42.059 -0.935 0.000 1.287 482 L HN -0.222 nan 8.230 nan 0.000 0.435 483 V N 3.597 123.232 119.914 -0.464 0.000 2.817 483 V HA 0.618 4.738 4.120 -0.000 0.000 0.303 483 V C -1.231 174.812 176.094 -0.084 0.000 1.151 483 V CA -0.590 61.398 62.300 -0.520 0.000 0.929 483 V CB 2.029 32.984 31.823 -1.447 0.000 1.030 483 V HN 0.803 nan 8.190 nan 0.000 0.427 484 M N 7.809 127.477 119.600 0.112 0.000 2.180 484 M HA 0.646 5.126 4.480 -0.000 0.000 0.350 484 M C -1.286 174.890 176.300 -0.208 0.000 1.125 484 M CA 0.018 55.237 55.300 -0.135 0.000 1.031 484 M CB 1.055 33.262 32.600 -0.655 0.000 1.623 484 M HN 0.543 nan 8.290 nan 0.000 0.451 485 I N 5.995 126.448 120.570 -0.195 0.000 2.359 485 I HA 0.298 4.468 4.170 -0.000 0.000 0.284 485 I C -0.861 175.180 176.117 -0.125 0.000 1.018 485 I CA -0.969 60.233 61.300 -0.163 0.000 1.173 485 I CB 1.333 39.258 38.000 -0.125 0.000 1.326 485 I HN 0.377 nan 8.210 nan 0.000 0.462 486 V N 6.632 126.461 119.914 -0.141 0.000 2.439 486 V HA 0.039 4.159 4.120 -0.000 0.000 0.271 486 V C 0.673 176.743 176.094 -0.039 0.000 1.040 486 V CA -0.229 62.009 62.300 -0.102 0.000 1.002 486 V CB 0.567 32.360 31.823 -0.050 0.000 1.000 486 V HN 0.729 nan 8.190 nan 0.000 0.477 487 N N 3.367 122.057 118.700 -0.016 0.000 2.518 487 N HA 0.049 4.789 4.740 -0.000 0.000 0.266 487 N C 1.114 176.632 175.510 0.013 0.000 1.196 487 N CA -0.230 52.839 53.050 0.031 0.000 0.947 487 N CB 1.094 39.627 38.487 0.077 0.000 1.098 487 N HN 0.665 nan 8.380 nan 0.000 0.450 488 T N 1.758 116.324 114.554 0.021 0.000 2.867 488 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 488 T C 0.628 175.339 174.700 0.019 0.000 1.057 488 T CA 0.557 62.673 62.100 0.027 0.000 1.136 488 T CB -0.454 68.429 68.868 0.025 0.000 0.874 488 T HN 0.810 nan 8.240 nan 0.000 0.466 489 N N 1.286 119.994 118.700 0.013 0.000 2.696 489 N HA -0.182 4.558 4.740 -0.000 0.000 0.271 489 N C 0.321 175.837 175.510 0.010 0.000 0.997 489 N CA 0.444 53.498 53.050 0.007 0.000 0.801 489 N CB -1.113 37.369 38.487 -0.008 0.000 0.913 489 N HN 0.153 nan 8.380 nan 0.000 0.557 490 S N 1.130 116.836 115.700 0.011 0.000 2.660 490 S HA 0.036 4.506 4.470 -0.000 0.000 0.223 490 S C 0.353 174.961 174.600 0.012 0.000 0.963 490 S CA 0.083 58.292 58.200 0.014 0.000 0.932 490 S CB -0.399 62.809 63.200 0.013 0.000 0.775 490 S HN 0.755 nan 8.310 nan 0.000 0.531 495 A N 0.956 123.719 122.820 -0.094 0.000 2.565 495 A HA 0.188 4.508 4.320 -0.000 0.000 0.237 495 A C 1.165 178.577 177.584 -0.286 0.000 1.053 495 A CA 0.543 52.407 52.037 -0.288 0.000 0.755 495 A CB -0.101 18.509 19.000 -0.651 0.000 0.980 495 A HN 0.802 nan 8.150 nan 0.000 0.506 496 S N 1.963 117.492 115.700 -0.286 0.000 2.461 496 S HA 0.371 4.841 4.470 -0.000 0.000 0.228 496 S C 0.849 175.274 174.600 -0.292 0.000 1.005 496 S CA 0.495 58.563 58.200 -0.221 0.000 0.942 496 S CB -0.163 62.932 63.200 -0.175 0.000 0.776 496 S HN 1.918 nan 8.310 nan 0.000 0.514 497 G N -0.707 107.798 108.800 -0.492 0.000 2.673 497 G HA2 0.567 4.527 3.960 -0.000 0.000 0.292 497 G HA3 0.567 4.527 3.960 -0.000 0.000 0.292 497 G C -2.140 172.356 174.900 -0.674 0.000 1.450 497 G CA -0.882 43.927 45.100 -0.484 0.000 0.837 497 G HN 0.163 nan 8.290 nan 0.000 0.505 498 Y N -0.107 120.028 120.300 -0.276 0.000 2.391 498 Y HA 0.601 5.151 4.550 -0.000 0.000 0.341 498 Y C 0.506 176.302 175.900 -0.173 0.000 0.965 498 Y CA -0.674 57.309 58.100 -0.195 0.000 1.067 498 Y CB 2.861 41.234 38.460 -0.146 0.000 1.199 498 Y HN 0.418 nan 8.280 nan 0.000 0.450 499 T N 5.591 120.189 114.554 0.074 0.000 2.767 499 T HA 0.670 5.020 4.350 -0.000 0.000 0.288 499 T C -0.619 174.171 174.700 0.151 0.000 0.963 499 T CA -0.491 61.710 62.100 0.168 0.000 1.019 499 T CB -0.007 69.104 68.868 0.405 0.000 0.923 499 T HN 0.369 nan 8.240 nan 0.000 0.468 500 L N 3.549 124.826 121.223 0.090 0.000 2.388 500 L HA 0.653 4.993 4.340 -0.000 0.000 0.264 500 L C -0.942 175.998 176.870 0.117 0.000 0.998 500 L CA -1.334 53.561 54.840 0.093 0.000 0.817 500 L CB 1.845 43.930 42.059 0.044 0.000 1.338 500 L HN 0.353 nan 8.230 nan 0.000 0.414 501 L N 1.894 123.213 121.223 0.160 0.000 2.325 501 L HA 0.547 4.887 4.340 -0.000 0.000 0.279 501 L C -1.058 175.923 176.870 0.185 0.000 1.054 501 L CA -0.005 54.910 54.840 0.126 0.000 0.804 501 L CB 1.358 43.455 42.059 0.063 0.000 1.200 501 L HN 0.411 nan 8.230 nan 0.000 0.436 502 F N 4.923 124.828 119.950 -0.074 0.000 2.402 502 F HA 0.406 4.933 4.527 -0.000 0.000 0.355 502 F C -0.046 175.621 175.800 -0.221 0.000 1.123 502 F CA -0.848 56.961 58.000 -0.320 0.000 1.021 502 F CB 0.658 39.582 39.000 -0.127 0.000 1.160 502 F HN 0.674 nan 8.300 nan 0.000 0.451 503 N N 6.065 124.364 118.700 -0.669 0.000 2.767 503 N HA 0.080 4.820 4.740 -0.000 0.000 0.238 503 N C 1.116 176.085 175.510 -0.902 0.000 1.083 503 N CA -0.142 52.544 53.050 -0.606 0.000 0.964 503 N CB 0.454 38.767 38.487 -0.290 0.000 1.252 503 N HN 0.815 nan 8.380 nan 0.000 0.512 504 K N 2.134 121.829 120.400 -1.175 0.000 2.211 504 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 504 K C 0.325 176.759 176.600 -0.277 0.000 1.047 504 K CA 1.559 57.357 56.287 -0.814 0.000 0.935 504 K CB 0.271 32.492 32.500 -0.465 0.000 0.728 504 K HN 0.530 nan 8.250 nan 0.000 0.452 505 D N 0.065 120.311 120.400 -0.257 0.000 2.123 505 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 505 D C 1.706 177.928 176.300 -0.130 0.000 0.976 505 D CA 1.230 55.136 54.000 -0.157 0.000 0.831 505 D CB -0.157 40.563 40.800 -0.133 0.000 0.974 505 D HN 0.299 nan 8.370 nan 0.000 0.469 506 A N 0.060 122.801 122.820 -0.131 0.000 1.972 506 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 506 A C 2.128 179.703 177.584 -0.015 0.000 1.169 506 A CA 1.304 53.298 52.037 -0.070 0.000 0.635 506 A CB -0.910 18.052 19.000 -0.065 0.000 0.810 506 A HN 0.405 nan 8.150 nan 0.000 0.446 507 Y N 0.379 120.620 120.300 -0.098 0.000 2.243 507 Y HA -0.008 4.542 4.550 -0.000 0.000 0.293 507 Y C 1.770 177.667 175.900 -0.006 0.000 1.124 507 Y CA 1.399 59.490 58.100 -0.014 0.000 1.159 507 Y CB -0.439 38.059 38.460 0.062 0.000 1.008 507 Y HN 0.175 nan 8.280 nan 0.000 0.527 508 L N 0.252 121.181 121.223 -0.490 0.000 2.083 508 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 508 L C 2.475 179.157 176.870 -0.312 0.000 1.083 508 L CA 1.764 56.294 54.840 -0.517 0.000 0.752 508 L CB -0.572 41.333 42.059 -0.257 0.000 0.899 508 L HN 0.223 nan 8.230 nan 0.000 0.433 509 E N 0.745 120.827 120.200 -0.197 0.000 2.017 509 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 509 E C 2.186 178.719 176.600 -0.112 0.000 0.997 509 E CA 1.625 57.950 56.400 -0.124 0.000 0.804 509 E CB -0.201 29.448 29.700 -0.085 0.000 0.757 509 E HN 0.319 nan 8.360 nan 0.000 0.448 510 A N 0.871 123.635 122.820 -0.094 0.000 1.908 510 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 510 A C 2.451 179.993 177.584 -0.070 0.000 1.181 510 A CA 2.374 54.382 52.037 -0.048 0.000 0.627 510 A CB -1.149 17.861 19.000 0.016 0.000 0.818 510 A HN 0.418 nan 8.150 nan 0.000 0.445 511 A N -0.301 122.418 122.820 -0.167 0.000 1.972 511 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 511 A C 1.958 179.477 177.584 -0.108 0.000 1.169 511 A CA 1.753 53.697 52.037 -0.155 0.000 0.635 511 A CB -0.809 17.982 19.000 -0.349 0.000 0.810 511 A HN 0.746 nan 8.150 nan 0.000 0.446 512 N N -0.479 118.148 118.700 -0.122 0.000 2.270 512 N HA -0.129 4.611 4.740 -0.000 0.000 0.181 512 N C 1.291 176.769 175.510 -0.053 0.000 1.016 512 N CA 0.940 53.941 53.050 -0.082 0.000 0.870 512 N CB -0.081 38.355 38.487 -0.085 0.000 0.979 512 N HN 0.448 nan 8.380 nan 0.000 0.431 513 N N 0.092 118.764 118.700 -0.048 0.000 2.409 513 N HA -0.028 4.712 4.740 -0.000 0.000 0.179 513 N C 1.120 176.617 175.510 -0.020 0.000 1.032 513 N CA 1.248 54.280 53.050 -0.030 0.000 0.898 513 N CB 0.015 38.487 38.487 -0.025 0.000 0.971 513 N HN 0.405 nan 8.380 nan 0.000 0.441 514 G N 0.888 109.677 108.800 -0.019 0.000 2.143 514 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.249 514 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.249 514 G C 0.560 175.460 174.900 0.001 0.000 0.981 514 G CA 0.306 45.401 45.100 -0.008 0.000 0.665 514 G HN 0.457 nan 8.290 nan 0.000 0.528 515 N N -0.383 118.318 118.700 0.003 0.000 2.412 515 N HA 0.182 4.922 4.740 -0.000 0.000 0.184 515 N C 0.877 176.400 175.510 0.022 0.000 1.101 515 N CA -0.310 52.745 53.050 0.009 0.000 0.881 515 N CB 0.357 38.847 38.487 0.006 0.000 0.969 515 N HN 0.498 nan 8.380 nan 0.000 0.459 516 I N 1.905 122.497 120.570 0.036 0.000 2.821 516 I HA -0.129 4.041 4.170 -0.000 0.000 0.294 516 I C 0.457 176.599 176.117 0.042 0.000 1.210 516 I CA 0.228 61.561 61.300 0.056 0.000 1.430 516 I CB 0.123 38.177 38.000 0.090 0.000 1.356 516 I HN 0.071 nan 8.210 nan 0.000 0.563 517 D N 5.300 125.723 120.400 0.038 0.000 2.351 517 D HA 0.014 4.654 4.640 -0.000 0.000 0.251 517 D C 0.646 176.964 176.300 0.030 0.000 1.137 517 D CA -0.187 53.828 54.000 0.025 0.000 0.879 517 D CB 0.890 41.699 40.800 0.015 0.000 1.181 517 D HN 0.370 nan 8.370 nan 0.000 0.448 518 D N 1.848 122.266 120.400 0.031 0.000 2.312 518 D HA -0.072 4.568 4.640 -0.000 0.000 0.211 518 D C 1.253 177.590 176.300 0.061 0.000 0.964 518 D CA 0.680 54.709 54.000 0.048 0.000 0.877 518 D CB 0.258 41.091 40.800 0.055 0.000 0.924 518 D HN 0.273 nan 8.370 nan 0.000 0.515 519 S N -0.017 115.704 115.700 0.034 0.000 2.456 519 S HA 0.054 4.524 4.470 -0.000 0.000 0.224 519 S C 1.337 175.922 174.600 -0.025 0.000 1.035 519 S CA 0.267 58.483 58.200 0.026 0.000 0.940 519 S CB 0.514 63.706 63.200 -0.014 0.000 0.799 519 S HN 0.311 nan 8.310 nan 0.000 0.508 520 E N 0.204 120.379 120.200 -0.041 0.000 2.606 520 E HA 0.366 4.716 4.350 -0.000 0.000 0.224 520 E C 0.979 177.557 176.600 -0.037 0.000 0.930 520 E CA 0.179 56.529 56.400 -0.084 0.000 1.125 520 E CB 1.041 30.685 29.700 -0.092 0.000 1.123 520 E HN 0.351 nan 8.360 nan 0.000 0.522 521 G N 1.716 110.517 108.800 0.001 0.000 2.539 521 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.256 521 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.256 521 G C -0.060 174.884 174.900 0.074 0.000 1.233 521 G CA -0.216 44.908 45.100 0.040 0.000 0.936 521 G HN 0.097 nan 8.290 nan 0.000 0.571 522 V N 2.221 122.211 119.914 0.127 0.000 2.368 522 V HA 0.275 4.395 4.120 -0.000 0.000 0.266 522 V C 1.542 177.723 176.094 0.145 0.000 1.045 522 V CA 0.812 63.196 62.300 0.141 0.000 0.899 522 V CB 1.331 33.274 31.823 0.199 0.000 1.006 522 V HN 0.817 nan 8.190 nan 0.000 0.470 523 D N 3.673 124.132 120.400 0.099 0.000 2.144 523 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 523 D C 1.513 177.878 176.300 0.108 0.000 0.984 523 D CA 1.434 55.489 54.000 0.092 0.000 0.834 523 D CB 0.463 41.294 40.800 0.052 0.000 0.955 523 D HN 0.735 nan 8.370 nan 0.000 0.465 524 E N 0.075 120.325 120.200 0.083 0.000 2.427 524 E HA 0.078 4.428 4.350 -0.000 0.000 0.196 524 E C 1.795 178.424 176.600 0.047 0.000 1.028 524 E CA 0.511 56.944 56.400 0.055 0.000 0.864 524 E CB -0.129 29.585 29.700 0.024 0.000 0.813 524 E HN 0.304 nan 8.360 nan 0.000 0.514 525 A N 0.031 122.908 122.820 0.095 0.000 2.019 525 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 525 A C 0.390 177.871 177.584 -0.172 0.000 1.164 525 A CA 0.994 53.040 52.037 0.016 0.000 0.644 525 A CB -0.101 18.997 19.000 0.162 0.000 0.805 525 A HN 0.176 nan 8.150 nan 0.000 0.449 526 F N -1.233 118.800 119.950 0.138 0.000 2.603 526 F HA 0.532 5.059 4.527 -0.000 0.000 0.317 526 F C -0.906 174.921 175.800 0.045 0.000 1.066 526 F CA -1.035 57.031 58.000 0.110 0.000 0.941 526 F CB 1.940 40.986 39.000 0.077 0.000 1.291 526 F HN -0.086 nan 8.300 nan 0.000 0.472 527 D N 1.111 121.659 120.400 0.248 0.000 2.896 527 D HA 0.384 5.024 4.640 -0.000 0.000 0.241 527 D C -1.153 175.204 176.300 0.095 0.000 1.188 527 D CA -0.309 53.761 54.000 0.117 0.000 0.879 527 D CB 2.592 43.425 40.800 0.055 0.000 1.553 527 D HN 0.276 nan 8.370 nan 0.000 0.515 528 V N 0.914 120.855 119.914 0.047 0.000 2.389 528 V HA 0.183 4.303 4.120 -0.000 0.000 0.264 528 V C 1.059 177.132 176.094 -0.035 0.000 1.049 528 V CA -0.576 61.742 62.300 0.029 0.000 0.932 528 V CB 0.652 32.491 31.823 0.027 0.000 1.011 528 V HN 0.360 nan 8.190 nan 0.000 0.475 529 L N 4.223 125.409 121.223 -0.062 0.000 2.051 529 L HA 0.359 4.699 4.340 -0.000 0.000 0.202 529 L C 0.634 177.184 176.870 -0.533 0.000 1.097 529 L CA 1.487 56.113 54.840 -0.356 0.000 0.762 529 L CB -1.116 40.788 42.059 -0.257 0.000 0.913 529 L HN 0.732 nan 8.230 nan 0.000 0.447 530 Y N -1.161 119.249 120.300 0.183 0.000 2.876 530 Y HA 0.554 5.104 4.550 -0.000 0.000 0.317 530 Y C -0.310 175.628 175.900 0.064 0.000 1.369 530 Y CA -1.578 56.633 58.100 0.184 0.000 1.101 530 Y CB 0.804 39.484 38.460 0.367 0.000 1.346 530 Y HN 0.130 nan 8.280 nan 0.000 0.505 531 E N 0.432 120.724 120.200 0.153 0.000 2.321 531 E HA 0.578 4.928 4.350 -0.000 0.000 0.278 531 E C -2.069 174.331 176.600 -0.332 0.000 0.902 531 E CA -0.913 55.334 56.400 -0.256 0.000 0.758 531 E CB 2.024 31.496 29.700 -0.380 0.000 1.213 531 E HN 0.317 nan 8.360 nan 0.000 0.426 532 L N 1.623 122.489 121.223 -0.595 0.000 2.439 532 L HA 0.315 4.655 4.340 -0.000 0.000 0.259 532 L C 0.944 177.620 176.870 -0.322 0.000 1.129 532 L CA 0.226 54.742 54.840 -0.539 0.000 0.803 532 L CB 1.416 43.010 42.059 -0.775 0.000 1.161 532 L HN 0.806 nan 8.230 nan 0.000 0.462 533 S N -1.466 114.123 115.700 -0.186 0.000 2.566 533 S HA 0.177 4.647 4.470 -0.000 0.000 0.234 533 S C 0.236 174.792 174.600 -0.072 0.000 1.075 533 S CA -0.169 57.964 58.200 -0.110 0.000 0.926 533 S CB 0.118 63.287 63.200 -0.052 0.000 0.811 533 S HN 0.584 nan 8.310 nan 0.000 0.518 534 E N 2.826 123.015 120.200 -0.018 0.000 2.383 534 E HA 0.213 4.563 4.350 -0.000 0.000 0.264 534 E C -0.004 176.635 176.600 0.066 0.000 1.050 534 E CA -0.240 56.200 56.400 0.067 0.000 0.896 534 E CB 0.626 30.443 29.700 0.196 0.000 0.982 534 E HN 0.405 nan 8.360 nan 0.000 0.424 535 S N 2.223 117.973 115.700 0.084 0.000 2.568 535 S HA 0.164 4.634 4.470 -0.000 0.000 0.282 535 S C 0.102 174.807 174.600 0.174 0.000 1.338 535 S CA -0.347 57.898 58.200 0.075 0.000 1.045 535 S CB 0.296 63.532 63.200 0.061 0.000 0.873 535 S HN 0.376 nan 8.310 nan 0.000 0.516 536 I N 2.515 123.152 120.570 0.112 0.000 2.411 536 I HA 0.216 4.386 4.170 -0.000 0.000 0.284 536 I C 0.599 176.819 176.117 0.171 0.000 1.012 536 I CA -0.534 60.882 61.300 0.193 0.000 1.119 536 I CB 1.766 39.785 38.000 0.033 0.000 1.261 536 I HN 0.736 nan 8.210 nan 0.000 0.448 537 T N 2.550 117.219 114.554 0.190 0.000 3.044 537 T HA 0.087 4.437 4.350 -0.000 0.000 0.255 537 T C 0.453 175.277 174.700 0.207 0.000 1.073 537 T CA 0.530 62.724 62.100 0.158 0.000 1.125 537 T CB 0.147 69.054 68.868 0.064 0.000 0.908 537 T HN 0.774 nan 8.240 nan 0.000 0.480 538 S N -0.873 114.950 115.700 0.207 0.000 2.597 538 S HA 0.649 5.119 4.470 -0.000 0.000 0.274 538 S C -0.875 173.818 174.600 0.154 0.000 1.132 538 S CA -0.441 57.881 58.200 0.204 0.000 0.835 538 S CB 1.465 64.792 63.200 0.212 0.000 1.092 538 S HN 0.444 nan 8.310 nan 0.000 0.457 539 G N 0.888 109.742 108.800 0.089 0.000 2.601 539 G HA2 0.663 4.623 3.960 -0.000 0.000 0.291 539 G HA3 0.663 4.623 3.960 -0.000 0.000 0.291 539 G C -2.306 172.477 174.900 -0.196 0.000 1.456 539 G CA -0.876 44.059 45.100 -0.275 0.000 0.804 539 G HN 0.622 nan 8.290 nan 0.000 0.499 540 K N -0.416 119.746 120.400 -0.397 0.000 2.508 540 K HA 0.396 4.716 4.320 -0.000 0.000 0.260 540 K C -1.617 174.921 176.600 -0.103 0.000 0.949 540 K CA -0.563 55.702 56.287 -0.038 0.000 0.834 540 K CB 2.433 34.984 32.500 0.085 0.000 1.365 540 K HN 0.545 nan 8.250 nan 0.000 0.437 541 W N 0.584 121.982 121.300 0.163 0.000 2.381 541 W HA 0.422 5.082 4.660 -0.000 0.000 0.329 541 W C 0.196 176.779 176.519 0.106 0.000 1.157 541 W CA -0.562 56.899 57.345 0.193 0.000 1.240 541 W CB 1.206 30.832 29.460 0.276 0.000 1.199 541 W HN 0.069 nan 8.180 nan 0.000 0.579 542 V N 3.838 123.934 119.914 0.302 0.000 2.383 542 V HA 0.400 4.520 4.120 -0.000 0.000 0.261 542 V C 0.372 176.544 176.094 0.130 0.000 0.987 542 V CA -0.672 61.692 62.300 0.107 0.000 0.853 542 V CB 0.402 32.108 31.823 -0.195 0.000 1.095 542 V HN 0.915 nan 8.190 nan 0.000 0.461 543 G N 3.129 112.052 108.800 0.205 0.000 2.387 543 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.270 543 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.270 543 G C 0.240 175.257 174.900 0.195 0.000 0.957 543 G CA 0.393 45.586 45.100 0.156 0.000 1.352 543 G HN 0.812 nan 8.290 nan 0.000 0.457 544 D N -3.230 117.343 120.400 0.288 0.000 2.554 544 D HA -0.226 4.414 4.640 -0.000 0.000 0.178 544 D C 0.922 177.558 176.300 0.560 0.000 1.054 544 D CA 1.993 56.206 54.000 0.354 0.000 1.052 544 D CB -1.293 39.622 40.800 0.192 0.000 1.112 544 D HN 1.664 nan 8.370 nan 0.000 0.448 545 V N 0.667 120.844 119.914 0.439 0.000 2.370 545 V HA 0.555 4.675 4.120 -0.000 0.000 0.283 545 V C -0.722 175.530 176.094 0.264 0.000 1.023 545 V CA -0.938 61.544 62.300 0.303 0.000 0.857 545 V CB 1.072 32.922 31.823 0.045 0.000 0.985 545 V HN 0.103 nan 8.190 nan 0.000 0.443 546 F N 7.825 127.725 119.950 -0.083 0.000 2.390 546 F HA 0.598 5.125 4.527 -0.000 0.000 0.361 546 F C 0.061 175.870 175.800 0.015 0.000 1.124 546 F CA -0.462 57.264 58.000 -0.456 0.000 1.149 546 F CB 0.611 39.008 39.000 -1.005 0.000 1.160 546 F HN 0.453 nan 8.300 nan 0.000 0.501 547 I N 7.806 128.099 120.570 -0.461 0.000 2.428 547 I HA 0.414 4.584 4.170 -0.000 0.000 0.296 547 I C -0.637 175.260 176.117 -0.368 0.000 0.985 547 I CA -0.698 60.482 61.300 -0.200 0.000 1.260 547 I CB 1.215 39.119 38.000 -0.160 0.000 1.389 547 I HN 0.615 nan 8.210 nan 0.000 0.484 548 F N 2.031 121.768 119.950 -0.355 0.000 2.713 548 F HA 0.636 5.163 4.527 -0.000 0.000 0.311 548 F C -0.680 175.046 175.800 -0.123 0.000 1.141 548 F CA -0.912 56.913 58.000 -0.293 0.000 0.939 548 F CB 1.387 40.263 39.000 -0.207 0.000 1.325 548 F HN 0.412 nan 8.300 nan 0.000 0.453 549 T N -0.721 113.805 114.554 -0.047 0.000 2.902 549 T HA 0.619 4.969 4.350 -0.000 0.000 0.283 549 T C -0.568 174.122 174.700 -0.017 0.000 1.009 549 T CA -0.534 61.478 62.100 -0.148 0.000 1.051 549 T CB 1.778 70.563 68.868 -0.139 0.000 0.999 549 T HN 0.919 nan 8.240 nan 0.000 0.474 550 T N 0.149 114.649 114.554 -0.091 0.000 2.950 550 T HA 0.604 4.954 4.350 -0.000 0.000 0.288 550 T C 1.493 176.186 174.700 -0.012 0.000 1.035 550 T CA -0.152 61.954 62.100 0.009 0.000 1.028 550 T CB 0.825 69.675 68.868 -0.031 0.000 1.109 550 T HN 0.854 nan 8.240 nan 0.000 0.514 551 A N 0.919 123.752 122.820 0.021 0.000 2.121 551 A HA 0.040 4.360 4.320 -0.000 0.000 0.218 551 A C 1.919 179.496 177.584 -0.011 0.000 1.154 551 A CA 1.775 53.817 52.037 0.008 0.000 0.679 551 A CB -0.834 18.183 19.000 0.029 0.000 0.795 551 A HN 0.893 nan 8.150 nan 0.000 0.458 552 T N -4.091 110.452 114.554 -0.017 0.000 3.163 552 T HA 0.211 4.561 4.350 -0.000 0.000 0.252 552 T C 0.402 175.083 174.700 -0.030 0.000 1.056 552 T CA 0.295 62.379 62.100 -0.026 0.000 0.947 552 T CB -0.350 68.498 68.868 -0.033 0.000 1.016 552 T HN 0.398 nan 8.240 nan 0.000 0.554 553 N N 0.527 119.203 118.700 -0.039 0.000 2.882 553 N HA -0.132 4.608 4.740 -0.000 0.000 0.249 553 N C -0.404 175.130 175.510 0.041 0.000 1.079 553 N CA 0.494 53.532 53.050 -0.020 0.000 0.800 553 N CB -1.332 37.163 38.487 0.013 0.000 1.124 553 N HN 0.605 nan 8.380 nan 0.000 0.557 554 R N 0.127 120.615 120.500 -0.020 0.000 2.536 554 R HA 0.576 4.916 4.340 -0.000 0.000 0.279 554 R C -0.218 176.004 176.300 -0.130 0.000 1.001 554 R CA -0.888 55.196 56.100 -0.027 0.000 1.027 554 R CB 1.177 31.425 30.300 -0.086 0.000 1.096 554 R HN 0.085 nan 8.270 nan 0.000 0.502 555 L N 2.547 123.698 121.223 -0.120 0.000 2.301 555 L HA 0.359 4.699 4.340 -0.000 0.000 0.278 555 L C -1.031 175.644 176.870 -0.326 0.000 1.022 555 L CA 0.220 54.926 54.840 -0.222 0.000 0.854 555 L CB 0.456 42.448 42.059 -0.111 0.000 1.226 555 L HN 0.599 nan 8.230 nan 0.000 0.429 556 N N 3.021 121.389 118.700 -0.554 0.000 2.619 556 N HA 0.673 5.413 4.740 -0.000 0.000 0.294 556 N C -1.801 173.555 175.510 -0.258 0.000 1.279 556 N CA -0.707 52.045 53.050 -0.497 0.000 0.867 556 N CB 1.760 39.832 38.487 -0.692 0.000 1.329 556 N HN 0.498 nan 8.380 nan 0.000 0.557 557 Y N -1.226 119.078 120.300 0.007 0.000 2.513 557 Y HA 0.644 5.194 4.550 -0.000 0.000 0.340 557 Y C -1.982 174.191 175.900 0.456 0.000 1.055 557 Y CA -1.314 56.927 58.100 0.235 0.000 1.020 557 Y CB 0.796 39.303 38.460 0.079 0.000 1.301 557 Y HN 0.416 nan 8.280 nan 0.000 0.453 558 F N 4.245 124.517 119.950 0.536 0.000 2.482 558 F HA 0.798 5.325 4.527 -0.000 0.000 0.331 558 F C -1.562 174.406 175.800 0.279 0.000 1.115 558 F CA -1.131 57.058 58.000 0.315 0.000 0.955 558 F CB 1.660 40.750 39.000 0.151 0.000 1.136 558 F HN 0.696 nan 8.300 nan 0.000 0.452 559 V N 5.400 125.066 119.914 -0.414 0.000 2.924 559 V HA 0.560 4.680 4.120 -0.000 0.000 0.300 559 V C 0.081 175.847 176.094 -0.547 0.000 1.227 559 V CA -0.071 62.065 62.300 -0.272 0.000 0.954 559 V CB 1.536 33.402 31.823 0.072 0.000 1.055 559 V HN 1.273 nan 8.190 nan 0.000 0.429 560 G N 4.076 112.587 108.800 -0.482 0.000 2.379 560 G HA2 0.061 4.021 3.960 -0.000 0.000 0.297 560 G HA3 0.061 4.021 3.960 -0.000 0.000 0.297 560 G C 1.542 175.776 174.900 -1.110 0.000 1.004 560 G CA 1.427 46.199 45.100 -0.546 0.000 0.921 560 G HN 2.742 nan 8.290 nan 0.000 0.511 561 G N -1.890 105.747 108.800 -1.939 0.000 2.179 561 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 561 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 561 G C 0.475 174.975 174.900 -0.667 0.000 0.977 561 G CA 1.128 45.499 45.100 -1.215 0.000 0.641 561 G HN 0.956 nan 8.290 nan 0.000 0.533 562 K N 0.631 120.564 120.400 -0.778 0.000 2.118 562 K HA 0.734 5.054 4.320 -0.000 0.000 0.254 562 K C -0.318 176.013 176.600 -0.447 0.000 0.961 562 K CA -0.338 55.675 56.287 -0.457 0.000 0.876 562 K CB 1.580 33.929 32.500 -0.252 0.000 1.077 562 K HN 0.089 nan 8.250 nan 0.000 0.440 563 T N 2.265 116.579 114.554 -0.400 0.000 2.809 563 T HA 0.493 4.843 4.350 -0.000 0.000 0.284 563 T C -0.999 173.349 174.700 -0.588 0.000 0.992 563 T CA -0.538 61.452 62.100 -0.185 0.000 0.957 563 T CB 0.237 69.174 68.868 0.114 0.000 0.942 563 T HN 0.249 nan 8.240 nan 0.000 0.439 564 Y N 1.903 121.970 120.300 -0.389 0.000 2.429 564 Y HA 0.422 4.972 4.550 -0.000 0.000 0.342 564 Y C 0.682 176.296 175.900 -0.476 0.000 1.004 564 Y CA -1.084 56.694 58.100 -0.536 0.000 1.075 564 Y CB 1.366 39.243 38.460 -0.972 0.000 1.214 564 Y HN 0.516 nan 8.280 nan 0.000 0.455 565 N N 2.292 120.910 118.700 -0.137 0.000 2.499 565 N HA 0.130 4.870 4.740 -0.000 0.000 0.281 565 N C -0.430 175.023 175.510 -0.095 0.000 1.098 565 N CA -0.108 52.866 53.050 -0.126 0.000 0.979 565 N CB 1.076 39.523 38.487 -0.066 0.000 1.121 565 N HN 0.648 nan 8.380 nan 0.000 0.466 566 L N 2.998 124.133 121.223 -0.147 0.000 2.445 566 L HA 0.516 4.856 4.340 -0.000 0.000 0.207 566 L C 0.380 177.080 176.870 -0.284 0.000 1.053 566 L CA 0.756 55.468 54.840 -0.214 0.000 0.841 566 L CB -0.453 41.370 42.059 -0.393 0.000 1.074 566 L HN 0.777 nan 8.230 nan 0.000 0.479 567 A N -2.116 120.546 122.820 -0.264 0.000 2.457 567 A HA 0.634 4.954 4.320 -0.000 0.000 0.305 567 A C -1.734 175.757 177.584 -0.156 0.000 1.110 567 A CA -0.112 51.763 52.037 -0.269 0.000 0.616 567 A CB 0.662 19.420 19.000 -0.403 0.000 1.371 567 A HN 0.439 nan 8.150 nan 0.000 0.525 568 H N -2.450 116.443 119.070 -0.296 0.000 3.085 568 H HA 0.784 5.340 4.556 -0.000 0.000 0.356 568 H C -1.930 173.193 175.328 -0.342 0.000 1.178 568 H CA -0.737 55.207 56.048 -0.174 0.000 1.214 568 H CB 0.455 30.147 29.762 -0.117 0.000 1.881 568 H HN 0.605 nan 8.280 nan 0.000 0.538 569 Y N -0.001 120.274 120.300 -0.042 0.000 2.659 569 Y HA 0.436 4.986 4.550 -0.000 0.000 0.333 569 Y C 1.253 177.126 175.900 -0.046 0.000 1.064 569 Y CA -0.682 57.358 58.100 -0.101 0.000 1.141 569 Y CB 2.156 40.490 38.460 -0.209 0.000 1.316 569 Y HN 0.892 nan 8.280 nan 0.000 0.509 570 T N -2.666 111.943 114.554 0.093 0.000 3.186 570 T HA 0.385 4.735 4.350 -0.000 0.000 0.257 570 T C -0.041 174.668 174.700 0.015 0.000 1.029 570 T CA -0.191 61.934 62.100 0.042 0.000 0.916 570 T CB -0.295 68.587 68.868 0.023 0.000 1.041 570 T HN 0.406 nan 8.240 nan 0.000 0.562 571 K N 0.969 121.368 120.400 -0.001 0.000 2.532 571 K HA 0.288 4.608 4.320 -0.000 0.000 0.265 571 K C -1.043 175.481 176.600 -0.127 0.000 0.948 571 K CA -0.633 55.625 56.287 -0.049 0.000 0.842 571 K CB 2.433 34.904 32.500 -0.049 0.000 1.392 571 K HN 0.212 nan 8.250 nan 0.000 0.436 572 E N 3.055 123.173 120.200 -0.137 0.000 2.383 572 E HA 0.007 4.357 4.350 -0.000 0.000 0.257 572 E C -0.181 176.131 176.600 -0.481 0.000 1.079 572 E CA 0.381 56.613 56.400 -0.280 0.000 0.934 572 E CB 0.425 30.007 29.700 -0.196 0.000 0.978 572 E HN 0.118 nan 8.360 nan 0.000 0.462 573 M N 2.747 121.986 119.600 -0.600 0.000 2.478 573 M HA 0.349 4.829 4.480 -0.000 0.000 0.327 573 M C -0.797 175.037 176.300 -0.776 0.000 1.187 573 M CA -0.637 54.295 55.300 -0.613 0.000 1.022 573 M CB 0.866 33.070 32.600 -0.661 0.000 1.629 573 M HN 0.356 nan 8.290 nan 0.000 0.461 574 Y N 1.103 121.348 120.300 -0.091 0.000 2.338 574 Y HA 0.445 4.995 4.550 -0.000 0.000 0.333 574 Y C -0.099 175.798 175.900 -0.005 0.000 0.968 574 Y CA -0.651 57.436 58.100 -0.023 0.000 1.123 574 Y CB 1.413 39.881 38.460 0.012 0.000 1.165 574 Y HN 0.536 nan 8.280 nan 0.000 0.452 575 L N 3.617 124.911 121.223 0.118 0.000 2.540 575 L HA -0.083 4.257 4.340 -0.000 0.000 0.276 575 L C 0.400 177.366 176.870 0.159 0.000 1.212 575 L CA 0.226 55.126 54.840 0.100 0.000 0.893 575 L CB 0.601 42.697 42.059 0.062 0.000 1.138 575 L HN 0.761 nan 8.230 nan 0.000 0.491 576 L N 3.375 124.702 121.223 0.173 0.000 2.269 576 L HA 0.464 4.804 4.340 -0.000 0.000 0.200 576 L C 0.812 177.796 176.870 0.190 0.000 1.069 576 L CA 1.089 56.043 54.840 0.189 0.000 0.804 576 L CB -0.122 42.057 42.059 0.200 0.000 0.987 576 L HN 0.766 nan 8.230 nan 0.000 0.468 577 G N -2.690 106.241 108.800 0.219 0.000 2.336 577 G HA2 0.171 4.131 3.960 -0.000 0.000 0.300 577 G HA3 0.171 4.131 3.960 -0.000 0.000 0.300 577 G C -2.217 172.868 174.900 0.308 0.000 1.375 577 G CA -0.541 44.696 45.100 0.228 0.000 0.885 577 G HN -0.147 nan 8.290 nan 0.000 0.599 578 Y N 0.454 120.851 120.300 0.161 0.000 2.335 578 Y HA 0.761 5.311 4.550 -0.000 0.000 0.338 578 Y C -0.413 175.583 175.900 0.160 0.000 0.977 578 Y CA -1.294 56.903 58.100 0.162 0.000 1.114 578 Y CB 1.435 39.960 38.460 0.108 0.000 1.182 578 Y HN 0.470 nan 8.280 nan 0.000 0.463 579 L N 7.393 128.290 121.223 -0.543 0.000 2.277 579 L HA 0.430 4.770 4.340 -0.000 0.000 0.284 579 L C 1.102 177.498 176.870 -0.789 0.000 1.028 579 L CA -0.441 54.136 54.840 -0.438 0.000 0.835 579 L CB 1.410 43.402 42.059 -0.111 0.000 1.215 579 L HN 0.976 nan 8.230 nan 0.000 0.425 580 A N 3.973 126.477 122.820 -0.528 0.000 2.024 580 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 580 A C 2.331 179.844 177.584 -0.118 0.000 1.164 580 A CA 1.794 53.704 52.037 -0.211 0.000 0.643 580 A CB -0.402 18.631 19.000 0.055 0.000 0.806 580 A HN 0.899 nan 8.150 nan 0.000 0.451 581 R N -0.261 120.169 120.500 -0.116 0.000 2.066 581 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 581 R C 0.711 176.985 176.300 -0.042 0.000 1.131 581 R CA 1.926 57.992 56.100 -0.055 0.000 0.955 581 R CB -0.367 29.905 30.300 -0.046 0.000 0.851 581 R HN 0.383 nan 8.270 nan 0.000 0.432 582 D N 0.123 120.492 120.400 -0.053 0.000 2.350 582 D HA -0.013 4.627 4.640 -0.000 0.000 0.213 582 D C -0.055 176.233 176.300 -0.019 0.000 1.031 582 D CA 0.167 54.166 54.000 -0.002 0.000 0.861 582 D CB -0.037 40.818 40.800 0.091 0.000 0.926 582 D HN 0.262 nan 8.370 nan 0.000 0.520 583 N N 1.187 119.845 118.700 -0.071 0.000 2.740 583 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 583 N C -0.774 174.809 175.510 0.122 0.000 1.062 583 N CA 0.904 53.987 53.050 0.057 0.000 0.704 583 N CB -0.789 37.747 38.487 0.081 0.000 0.968 583 N HN 0.520 nan 8.380 nan 0.000 0.547 584 K N -2.897 117.511 120.400 0.015 0.000 2.568 584 K HA 0.513 4.833 4.320 -0.000 0.000 0.273 584 K C -0.577 176.044 176.600 0.034 0.000 0.951 584 K CA -0.951 55.366 56.287 0.049 0.000 0.854 584 K CB 1.332 33.732 32.500 -0.166 0.000 1.424 584 K HN -0.166 nan 8.250 nan 0.000 0.427 585 V N 1.836 121.822 119.914 0.120 0.000 2.834 585 V HA 0.283 4.403 4.120 -0.000 0.000 0.301 585 V C -0.927 175.073 176.094 -0.157 0.000 1.066 585 V CA -0.132 62.255 62.300 0.144 0.000 1.052 585 V CB 0.188 32.108 31.823 0.162 0.000 1.021 585 V HN 0.630 nan 8.190 nan 0.000 0.480 586 Y N 3.415 123.803 120.300 0.146 0.000 2.391 586 Y HA 0.722 5.272 4.550 -0.000 0.000 0.341 586 Y C -0.270 175.689 175.900 0.098 0.000 0.965 586 Y CA -0.655 57.517 58.100 0.119 0.000 1.067 586 Y CB 1.765 40.277 38.460 0.085 0.000 1.199 586 Y HN 0.397 nan 8.280 nan 0.000 0.450 587 L N 1.942 123.300 121.223 0.226 0.000 2.183 587 L HA 1.037 5.377 4.340 -0.000 0.000 0.253 587 L C -0.724 176.255 176.870 0.182 0.000 1.048 587 L CA -1.108 53.800 54.840 0.114 0.000 0.890 587 L CB 1.740 43.734 42.059 -0.108 0.000 1.476 587 L HN 0.659 nan 8.230 nan 0.000 0.455 588 A N -0.664 122.231 122.820 0.126 0.000 2.594 588 A HA 0.641 4.961 4.320 -0.000 0.000 0.296 588 A C -1.765 175.910 177.584 0.151 0.000 1.061 588 A CA -0.619 51.526 52.037 0.181 0.000 0.689 588 A CB 1.045 20.123 19.000 0.130 0.000 1.280 588 A HN 0.754 nan 8.150 nan 0.000 0.406 589 D N 0.409 120.902 120.400 0.155 0.000 2.511 589 D HA 0.434 5.074 4.640 -0.000 0.000 0.276 589 D C 0.993 177.401 176.300 0.180 0.000 1.220 589 D CA -0.546 53.536 54.000 0.136 0.000 1.077 589 D CB 0.361 41.227 40.800 0.109 0.000 1.126 589 D HN 0.448 nan 8.370 nan 0.000 0.583 590 R N -0.614 119.993 120.500 0.179 0.000 2.120 590 R HA -0.061 4.279 4.340 -0.000 0.000 0.234 590 R C 1.187 177.473 176.300 -0.023 0.000 1.123 590 R CA 1.126 57.285 56.100 0.098 0.000 0.975 590 R CB -0.315 30.047 30.300 0.104 0.000 0.866 590 R HN 0.569 nan 8.270 nan 0.000 0.446 591 E N 0.646 120.796 120.200 -0.084 0.000 2.445 591 E HA 0.043 4.393 4.350 -0.000 0.000 0.189 591 E C -0.338 175.966 176.600 -0.493 0.000 1.069 591 E CA -0.056 56.192 56.400 -0.254 0.000 0.871 591 E CB 0.548 30.098 29.700 -0.250 0.000 0.991 591 E HN -0.031 nan 8.360 nan 0.000 0.481 592 V N 2.166 121.875 119.914 -0.342 0.000 5.925 592 V HA -0.243 3.877 4.120 -0.000 0.000 0.321 592 V C -0.460 175.384 176.094 -0.418 0.000 0.499 592 V CA 0.903 62.962 62.300 -0.403 0.000 0.667 592 V CB -2.266 29.166 31.823 -0.652 0.000 0.336 592 V HN 0.503 nan 8.190 nan 0.000 1.132 593 H N -0.313 118.726 119.070 -0.052 0.000 2.517 593 H HA 0.579 5.135 4.556 -0.000 0.000 0.317 593 H C 0.111 175.448 175.328 0.016 0.000 1.080 593 H CA -0.423 55.599 56.048 -0.043 0.000 1.301 593 H CB 1.844 31.672 29.762 0.110 0.000 1.425 593 H HN 0.286 nan 8.280 nan 0.000 0.471 594 V N 5.656 125.554 119.914 -0.026 0.000 2.498 594 V HA 0.125 4.245 4.120 -0.000 0.000 0.279 594 V C -0.435 175.596 176.094 -0.104 0.000 1.048 594 V CA -0.297 62.023 62.300 0.033 0.000 0.967 594 V CB 0.088 31.915 31.823 0.006 0.000 0.988 594 V HN 0.556 nan 8.190 nan 0.000 0.473 595 Y N 1.946 122.327 120.300 0.135 0.000 2.524 595 Y HA 0.788 5.338 4.550 -0.000 0.000 0.344 595 Y C 0.594 176.560 175.900 0.111 0.000 1.012 595 Y CA -0.832 57.342 58.100 0.124 0.000 1.068 595 Y CB 2.392 40.905 38.460 0.090 0.000 1.249 595 Y HN 0.696 nan 8.280 nan 0.000 0.468 596 G N 0.861 109.732 108.800 0.118 0.000 2.617 596 G HA2 0.471 4.431 3.960 -0.000 0.000 0.306 596 G HA3 0.471 4.431 3.960 -0.000 0.000 0.306 596 G C -2.569 172.286 174.900 -0.074 0.000 1.360 596 G CA -0.637 44.284 45.100 -0.298 0.000 0.983 596 G HN 0.473 nan 8.290 nan 0.000 0.496 597 Y N 1.147 121.329 120.300 -0.197 0.000 2.350 597 Y HA 0.537 5.087 4.550 -0.000 0.000 0.338 597 Y C 0.059 175.910 175.900 -0.082 0.000 0.961 597 Y CA -0.979 57.081 58.100 -0.067 0.000 1.100 597 Y CB 2.023 40.498 38.460 0.025 0.000 1.179 597 Y HN 0.573 nan 8.280 nan 0.000 0.454 598 E N 7.190 127.165 120.200 -0.375 0.000 2.259 598 E HA 0.405 4.755 4.350 -0.000 0.000 0.281 598 E C -0.901 175.676 176.600 -0.038 0.000 1.037 598 E CA -0.403 55.892 56.400 -0.175 0.000 0.854 598 E CB 0.544 30.115 29.700 -0.216 0.000 1.051 598 E HN 0.683 nan 8.360 nan 0.000 0.409 599 I N 0.278 120.921 120.570 0.122 0.000 2.846 599 I HA 0.495 4.665 4.170 -0.000 0.000 0.307 599 I C -0.464 175.680 176.117 0.045 0.000 1.053 599 I CA -1.019 60.351 61.300 0.117 0.000 1.050 599 I CB 2.203 40.247 38.000 0.074 0.000 1.239 599 I HN 0.258 nan 8.210 nan 0.000 0.439 600 S N 3.069 118.760 115.700 -0.014 0.000 2.420 600 S HA 0.312 4.782 4.470 -0.000 0.000 0.313 600 S C 0.570 175.132 174.600 -0.063 0.000 1.079 600 S CA -0.636 57.549 58.200 -0.024 0.000 1.104 600 S CB 0.749 63.926 63.200 -0.038 0.000 0.969 600 S HN 0.664 nan 8.310 nan 0.000 0.471 601 L N 5.335 126.545 121.223 -0.021 0.000 2.191 601 L HA 0.027 4.367 4.340 -0.000 0.000 0.212 601 L C 1.934 178.778 176.870 -0.043 0.000 1.103 601 L CA 1.920 56.728 54.840 -0.053 0.000 0.769 601 L CB -0.467 41.615 42.059 0.038 0.000 0.908 601 L HN 0.612 nan 8.230 nan 0.000 0.438 602 E N -1.157 119.035 120.200 -0.013 0.000 2.047 602 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 602 E C 2.284 178.890 176.600 0.009 0.000 0.987 602 E CA 1.389 57.795 56.400 0.011 0.000 0.799 602 E CB -0.577 29.135 29.700 0.020 0.000 0.752 602 E HN 0.267 nan 8.360 nan 0.000 0.449 603 V N 0.689 120.577 119.914 -0.044 0.000 2.343 603 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 603 V C 2.173 178.185 176.094 -0.137 0.000 1.051 603 V CA 1.289 63.536 62.300 -0.089 0.000 1.036 603 V CB -0.433 31.314 31.823 -0.128 0.000 0.654 603 V HN 0.197 nan 8.190 nan 0.000 0.451 604 L N -0.221 120.887 121.223 -0.191 0.000 2.046 604 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 604 L C 2.393 179.171 176.870 -0.154 0.000 1.077 604 L CA 1.856 56.535 54.840 -0.267 0.000 0.747 604 L CB -0.789 41.073 42.059 -0.329 0.000 0.896 604 L HN 0.365 nan 8.230 nan 0.000 0.432 605 E N -1.924 118.227 120.200 -0.082 0.000 2.107 605 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 605 E C 2.036 178.612 176.600 -0.041 0.000 0.982 605 E CA 0.807 57.179 56.400 -0.046 0.000 0.809 605 E CB -0.170 29.517 29.700 -0.022 0.000 0.756 605 E HN 0.392 nan 8.360 nan 0.000 0.459 606 F N 1.676 121.551 119.950 -0.125 0.000 2.095 606 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 606 F C 2.211 177.926 175.800 -0.142 0.000 1.104 606 F CA 1.655 59.589 58.000 -0.109 0.000 1.232 606 F CB 0.079 39.013 39.000 -0.109 0.000 0.987 606 F HN -0.034 nan 8.300 nan 0.000 0.475 607 Q N -0.609 119.167 119.800 -0.040 0.000 2.084 607 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 607 Q C 2.105 178.049 176.000 -0.094 0.000 0.978 607 Q CA 2.228 57.854 55.803 -0.296 0.000 0.844 607 Q CB -0.428 27.926 28.738 -0.640 0.000 0.898 607 Q HN 0.378 nan 8.270 nan 0.000 0.426 608 T N 1.490 115.998 114.554 -0.077 0.000 2.635 608 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 608 T C 1.840 176.533 174.700 -0.012 0.000 1.040 608 T CA 1.171 63.262 62.100 -0.015 0.000 1.156 608 T CB -0.295 68.570 68.868 -0.005 0.000 0.863 608 T HN 0.190 nan 8.240 nan 0.000 0.430 609 L N 0.596 121.771 121.223 -0.080 0.000 2.017 609 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 609 L C 2.974 179.783 176.870 -0.101 0.000 1.073 609 L CA 1.365 56.137 54.840 -0.113 0.000 0.745 609 L CB -1.419 40.511 42.059 -0.215 0.000 0.894 609 L HN 0.291 nan 8.230 nan 0.000 0.432 610 T N 0.713 115.189 114.554 -0.130 0.000 2.652 610 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 610 T C 1.893 176.651 174.700 0.097 0.000 1.039 610 T CA 1.349 63.415 62.100 -0.057 0.000 1.153 610 T CB -0.364 68.582 68.868 0.129 0.000 0.863 610 T HN 0.205 nan 8.240 nan 0.000 0.428 611 L N 0.330 121.666 121.223 0.190 0.000 2.549 611 L HA 0.086 4.426 4.340 -0.000 0.000 0.229 611 L C 2.519 179.474 176.870 0.142 0.000 1.158 611 L CA 0.721 55.679 54.840 0.196 0.000 0.842 611 L CB -0.294 41.887 42.059 0.203 0.000 0.952 611 L HN 0.114 nan 8.230 nan 0.000 0.452 612 R N 0.023 120.582 120.500 0.097 0.000 2.334 612 R HA 0.108 4.448 4.340 -0.000 0.000 0.216 612 R C 1.039 177.380 176.300 0.067 0.000 0.905 612 R CA 0.627 56.778 56.100 0.084 0.000 1.064 612 R CB 0.435 30.769 30.300 0.057 0.000 1.046 612 R HN 0.256 nan 8.270 nan 0.000 0.508 613 G N 0.995 109.837 108.800 0.071 0.000 2.142 613 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.225 613 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.225 613 G C -0.329 174.588 174.900 0.029 0.000 1.015 613 G CA 0.052 45.194 45.100 0.071 0.000 0.716 613 G HN 0.355 nan 8.290 nan 0.000 0.508 614 E N -0.369 119.821 120.200 -0.016 0.000 3.846 614 E HA 0.274 4.624 4.350 -0.000 0.000 0.216 614 E C 1.542 178.060 176.600 -0.138 0.000 1.092 614 E CA -0.512 55.855 56.400 -0.056 0.000 1.370 614 E CB 0.256 29.923 29.700 -0.054 0.000 1.227 614 E HN 0.537 nan 8.360 nan 0.000 0.442 615 I N 0.430 120.909 120.570 -0.153 0.000 2.315 615 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 615 I C 1.336 177.325 176.117 -0.214 0.000 1.117 615 I CA 1.456 62.587 61.300 -0.281 0.000 1.404 615 I CB 0.548 38.343 38.000 -0.341 0.000 1.071 615 I HN 0.022 nan 8.210 nan 0.000 0.419 616 E N 0.811 120.951 120.200 -0.100 0.000 2.118 616 E HA -0.296 4.054 4.350 -0.000 0.000 0.195 616 E C 1.973 178.528 176.600 -0.074 0.000 0.992 616 E CA 1.494 57.861 56.400 -0.055 0.000 0.804 616 E CB -0.317 29.372 29.700 -0.018 0.000 0.741 616 E HN 0.572 nan 8.360 nan 0.000 0.458 617 E N 0.124 120.266 120.200 -0.096 0.000 2.110 617 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 617 E C 1.953 178.470 176.600 -0.139 0.000 0.988 617 E CA 0.988 57.333 56.400 -0.092 0.000 0.804 617 E CB -0.084 29.566 29.700 -0.084 0.000 0.745 617 E HN 0.283 nan 8.360 nan 0.000 0.458 618 A N 0.860 123.517 122.820 -0.273 0.000 1.898 618 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 618 A C 2.114 179.555 177.584 -0.239 0.000 1.181 618 A CA 1.045 52.801 52.037 -0.467 0.000 0.620 618 A CB -0.500 17.819 19.000 -1.135 0.000 0.819 618 A HN 0.290 nan 8.150 nan 0.000 0.442 619 I N -0.356 120.143 120.570 -0.119 0.000 2.315 619 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 619 I C 2.055 178.219 176.117 0.079 0.000 1.117 619 I CA 1.158 62.528 61.300 0.117 0.000 1.404 619 I CB -0.216 37.838 38.000 0.091 0.000 1.071 619 I HN 0.303 nan 8.210 nan 0.000 0.419 620 E N 0.220 120.432 120.200 0.021 0.000 2.340 620 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 620 E C 1.334 177.946 176.600 0.019 0.000 0.996 620 E CA 0.495 56.908 56.400 0.021 0.000 0.869 620 E CB -0.057 29.647 29.700 0.007 0.000 0.835 620 E HN 0.542 nan 8.360 nan 0.000 0.493 621 N N -0.069 118.635 118.700 0.007 0.000 2.545 621 N HA 0.006 4.746 4.740 -0.000 0.000 0.190 621 N C 1.904 177.430 175.510 0.027 0.000 1.043 621 N CA 0.465 53.521 53.050 0.009 0.000 0.879 621 N CB 0.457 38.938 38.487 -0.010 0.000 1.210 621 N HN -0.050 nan 8.380 nan 0.000 0.437 622 V N 1.538 121.477 119.914 0.041 0.000 2.500 622 V HA 0.007 4.127 4.120 -0.000 0.000 0.243 622 V C 2.302 178.478 176.094 0.137 0.000 1.039 622 V CA 0.491 62.842 62.300 0.085 0.000 1.053 622 V CB -0.378 31.505 31.823 0.099 0.000 0.695 622 V HN 0.074 nan 8.190 nan 0.000 0.463 623 L N 1.187 122.534 121.223 0.207 0.000 2.129 623 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 623 L C -0.283 176.633 176.870 0.077 0.000 1.087 623 L CA 2.397 57.340 54.840 0.172 0.000 0.757 623 L CB -1.470 40.718 42.059 0.215 0.000 0.896 623 L HN 0.286 nan 8.230 nan 0.000 0.434 624 P HA -0.047 nan 4.420 nan 0.000 0.226 624 P C 0.395 177.712 177.300 0.029 0.000 1.153 624 P CA 1.068 64.191 63.100 0.038 0.000 0.777 624 P CB -0.019 31.701 31.700 0.034 0.000 0.794 625 N N -1.042 117.679 118.700 0.035 0.000 2.235 625 N HA 0.066 4.806 4.740 -0.000 0.000 0.209 625 N C -0.354 175.167 175.510 0.019 0.000 1.122 625 N CA 0.123 53.188 53.050 0.026 0.000 0.845 625 N CB 0.629 39.134 38.487 0.029 0.000 1.004 625 N HN 0.034 nan 8.380 nan 0.000 0.499 626 V N 2.424 122.346 119.914 0.014 0.000 2.406 626 V HA 0.124 4.244 4.120 -0.000 0.000 0.272 626 V C 0.011 176.097 176.094 -0.014 0.000 1.043 626 V CA -0.639 61.657 62.300 -0.007 0.000 0.915 626 V CB 0.845 32.649 31.823 -0.031 0.000 0.988 626 V HN 0.162 nan 8.190 nan 0.000 0.466 627 E N 3.580 123.771 120.200 -0.015 0.000 2.242 627 E HA 0.717 5.067 4.350 -0.000 0.000 0.275 627 E C 0.422 177.009 176.600 -0.023 0.000 1.002 627 E CA -0.212 56.179 56.400 -0.016 0.000 0.841 627 E CB 0.955 30.649 29.700 -0.011 0.000 1.109 627 E HN 1.111 nan 8.360 nan 0.000 0.394 628 G N 1.778 110.565 108.800 -0.021 0.000 2.801 628 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.686 628 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.686 628 G C 0.118 175.001 174.900 -0.028 0.000 1.507 628 G CA -0.059 45.028 45.100 -0.023 0.000 0.980 628 G HN 0.526 nan 8.290 nan 0.000 0.589 629 K N 0.463 120.848 120.400 -0.025 0.000 2.432 629 K HA 0.012 4.332 4.320 -0.000 0.000 0.196 629 K C 1.732 178.315 176.600 -0.028 0.000 1.038 629 K CA 1.248 57.519 56.287 -0.027 0.000 0.986 629 K CB 0.067 32.555 32.500 -0.020 0.000 0.782 629 K HN 0.567 nan 8.250 nan 0.000 0.485 630 D N 0.208 120.592 120.400 -0.027 0.000 2.144 630 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 630 D C 1.690 177.971 176.300 -0.032 0.000 0.978 630 D CA 1.135 55.120 54.000 -0.025 0.000 0.833 630 D CB 0.086 40.871 40.800 -0.025 0.000 0.961 630 D HN -0.051 nan 8.370 nan 0.000 0.470 631 S N -0.099 115.576 115.700 -0.042 0.000 2.371 631 S HA -0.034 4.436 4.470 -0.000 0.000 0.224 631 S C 1.796 176.344 174.600 -0.087 0.000 1.029 631 S CA 0.287 58.451 58.200 -0.060 0.000 0.978 631 S CB -0.100 63.065 63.200 -0.059 0.000 0.833 631 S HN 0.087 nan 8.310 nan 0.000 0.466 632 L N 1.749 122.924 121.223 -0.079 0.000 2.042 632 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 632 L C 2.592 179.412 176.870 -0.082 0.000 1.076 632 L CA 1.689 56.471 54.840 -0.097 0.000 0.749 632 L CB -1.477 40.542 42.059 -0.067 0.000 0.893 632 L HN 0.269 nan 8.230 nan 0.000 0.432 633 T N -1.159 113.366 114.554 -0.048 0.000 2.788 633 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 633 T C 1.945 176.634 174.700 -0.017 0.000 1.044 633 T CA 1.156 63.241 62.100 -0.025 0.000 1.139 633 T CB -0.105 68.756 68.868 -0.011 0.000 0.867 633 T HN 0.273 nan 8.240 nan 0.000 0.454 634 K N 0.659 121.042 120.400 -0.029 0.000 2.009 634 K HA -0.014 4.306 4.320 -0.000 0.000 0.210 634 K C 2.259 178.856 176.600 -0.005 0.000 1.049 634 K CA 1.308 57.587 56.287 -0.014 0.000 0.929 634 K CB -0.369 32.107 32.500 -0.040 0.000 0.714 634 K HN 0.335 nan 8.250 nan 0.000 0.440 635 I N 0.874 121.386 120.570 -0.098 0.000 2.286 635 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 635 I C 2.516 178.616 176.117 -0.028 0.000 1.115 635 I CA 1.032 62.240 61.300 -0.154 0.000 1.392 635 I CB -0.493 37.190 38.000 -0.528 0.000 1.065 635 I HN 0.178 nan 8.210 nan 0.000 0.418 636 A N 1.206 123.998 122.820 -0.046 0.000 1.877 636 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 636 A C 2.404 180.018 177.584 0.050 0.000 1.186 636 A CA 1.440 53.475 52.037 -0.003 0.000 0.620 636 A CB -0.548 18.448 19.000 -0.008 0.000 0.822 636 A HN 0.329 nan 8.150 nan 0.000 0.443 637 R N -1.888 118.652 120.500 0.067 0.000 2.189 637 R HA -0.036 4.304 4.340 -0.000 0.000 0.218 637 R C 1.914 178.293 176.300 0.131 0.000 1.074 637 R CA 1.282 57.436 56.100 0.090 0.000 0.991 637 R CB -0.388 29.962 30.300 0.083 0.000 0.883 637 R HN 0.667 nan 8.270 nan 0.000 0.457 638 F N 1.277 121.239 119.950 0.021 0.000 2.163 638 F HA -0.031 4.496 4.527 -0.000 0.000 0.297 638 F C 1.735 177.589 175.800 0.091 0.000 1.094 638 F CA 1.086 59.115 58.000 0.048 0.000 1.290 638 F CB -0.221 38.765 39.000 -0.024 0.000 1.017 638 F HN -0.157 nan 8.300 nan 0.000 0.483 639 L N 0.388 121.497 121.223 -0.190 0.000 2.083 639 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 639 L C 2.593 179.407 176.870 -0.093 0.000 1.083 639 L CA 1.877 56.583 54.840 -0.222 0.000 0.752 639 L CB -0.784 41.273 42.059 -0.004 0.000 0.899 639 L HN 0.291 nan 8.230 nan 0.000 0.433 640 E N 0.350 120.556 120.200 0.010 0.000 2.072 640 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 640 E C 1.970 178.612 176.600 0.071 0.000 0.985 640 E CA 1.045 57.522 56.400 0.128 0.000 0.801 640 E CB -0.137 29.665 29.700 0.168 0.000 0.750 640 E HN 0.449 nan 8.360 nan 0.000 0.452 641 G N -0.135 108.666 108.800 0.001 0.000 2.882 641 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.206 641 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.206 641 G C 1.019 175.865 174.900 -0.090 0.000 1.155 641 G CA 0.033 45.132 45.100 -0.001 0.000 0.800 641 G HN 0.140 nan 8.290 nan 0.000 0.524 642 Q N -0.177 119.520 119.800 -0.172 0.000 2.118 642 Q HA 0.145 4.485 4.340 -0.000 0.000 0.219 642 Q C 0.513 176.357 176.000 -0.259 0.000 0.794 642 Q CA -0.071 55.637 55.803 -0.159 0.000 1.035 642 Q CB 0.732 29.367 28.738 -0.171 0.000 1.177 642 Q HN 0.548 nan 8.270 nan 0.000 0.478 643 E N -1.444 118.489 120.200 -0.445 0.000 4.071 643 E HA -0.243 4.107 4.350 -0.000 0.000 0.355 643 E C -0.472 175.470 176.600 -1.096 0.000 0.653 643 E CA 0.920 56.757 56.400 -0.937 0.000 1.298 643 E CB -1.783 27.555 29.700 -0.604 0.000 1.712 643 E HN 0.444 nan 8.360 nan 0.000 0.416 644 Y N 1.187 121.154 120.300 -0.556 0.000 2.889 644 Y HA 0.109 4.659 4.550 -0.000 0.000 0.367 644 Y C 1.639 177.423 175.900 -0.194 0.000 1.197 644 Y CA 0.170 58.083 58.100 -0.311 0.000 1.993 644 Y CB -1.094 37.273 38.460 -0.155 0.000 2.112 644 Y HN 0.177 nan 8.280 nan 0.000 0.413 645 Y N -0.664 119.671 120.300 0.058 0.000 2.128 645 Y HA -0.279 4.271 4.550 -0.000 0.000 0.284 645 Y C 2.248 178.171 175.900 0.038 0.000 1.154 645 Y CA 0.680 58.795 58.100 0.026 0.000 1.149 645 Y CB 0.042 38.492 38.460 -0.016 0.000 0.976 645 Y HN 0.327 nan 8.280 nan 0.000 0.505 646 E N 0.731 121.042 120.200 0.185 0.000 2.013 646 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 646 E C 2.087 178.756 176.600 0.114 0.000 1.018 646 E CA 1.789 58.264 56.400 0.124 0.000 0.834 646 E CB -0.344 29.415 29.700 0.098 0.000 0.770 646 E HN 0.614 nan 8.360 nan 0.000 0.459 647 E N 0.830 121.108 120.200 0.131 0.000 2.160 647 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 647 E C 1.983 178.639 176.600 0.095 0.000 0.991 647 E CA 1.166 57.633 56.400 0.113 0.000 0.810 647 E CB -0.508 29.266 29.700 0.124 0.000 0.742 647 E HN 0.207 nan 8.360 nan 0.000 0.466 648 A N 2.101 124.986 122.820 0.110 0.000 1.933 648 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 648 A C 2.336 179.960 177.584 0.066 0.000 1.175 648 A CA 1.106 53.194 52.037 0.084 0.000 0.628 648 A CB -0.769 18.302 19.000 0.118 0.000 0.814 648 A HN 0.291 nan 8.150 nan 0.000 0.444 649 L N -0.154 121.115 121.223 0.076 0.000 2.046 649 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 649 L C 1.982 178.875 176.870 0.038 0.000 1.077 649 L CA 1.681 56.552 54.840 0.051 0.000 0.747 649 L CB -0.438 41.650 42.059 0.049 0.000 0.896 649 L HN 0.431 nan 8.230 nan 0.000 0.432 650 N N 0.035 118.761 118.700 0.043 0.000 2.216 650 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 650 N C 1.733 177.256 175.510 0.021 0.000 1.017 650 N CA 1.261 54.331 53.050 0.034 0.000 0.861 650 N CB -0.035 38.477 38.487 0.043 0.000 0.986 650 N HN 0.339 nan 8.380 nan 0.000 0.428 651 I N 0.662 121.240 120.570 0.015 0.000 2.277 651 I HA -0.037 4.133 4.170 -0.000 0.000 0.243 651 I C 1.169 177.275 176.117 -0.019 0.000 1.094 651 I CA 0.360 61.651 61.300 -0.016 0.000 1.393 651 I CB -1.384 36.582 38.000 -0.057 0.000 1.078 651 I HN -0.080 nan 8.210 nan 0.000 0.417 652 S N 3.268 118.965 115.700 -0.006 0.000 2.593 652 S HA 0.010 4.480 4.470 -0.000 0.000 0.300 652 S C -1.007 173.592 174.600 -0.001 0.000 1.267 652 S CA -0.683 57.515 58.200 -0.003 0.000 1.065 652 S CB 0.586 63.793 63.200 0.012 0.000 0.807 652 S HN 0.149 nan 8.310 nan 0.000 0.499 653 P HA 0.130 nan 4.420 nan 0.000 0.244 653 P C -0.203 177.097 177.300 -0.000 0.000 1.191 653 P CA 0.070 63.167 63.100 -0.005 0.000 0.829 653 P CB -0.046 31.647 31.700 -0.011 0.000 1.008 654 D N 0.830 121.231 120.400 0.003 0.000 2.346 654 D HA -0.009 4.631 4.640 -0.000 0.000 0.260 654 D C 1.496 177.804 176.300 0.014 0.000 1.252 654 D CA 0.056 54.060 54.000 0.007 0.000 0.895 654 D CB 0.714 41.520 40.800 0.010 0.000 1.097 654 D HN -0.182 nan 8.370 nan 0.000 0.489 655 Q N 2.922 122.727 119.800 0.009 0.000 2.096 655 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 655 Q C 1.010 177.032 176.000 0.036 0.000 0.982 655 Q CA 1.282 57.093 55.803 0.013 0.000 0.850 655 Q CB -0.123 28.609 28.738 -0.010 0.000 0.901 655 Q HN 0.669 nan 8.270 nan 0.000 0.422 656 D N 0.725 121.142 120.400 0.029 0.000 2.088 656 D HA -0.213 4.427 4.640 -0.000 0.000 0.191 656 D C 1.900 178.251 176.300 0.085 0.000 0.992 656 D CA 1.447 55.481 54.000 0.057 0.000 0.831 656 D CB -0.353 40.467 40.800 0.033 0.000 0.973 656 D HN 0.354 nan 8.370 nan 0.000 0.447 657 Q N 0.857 120.686 119.800 0.047 0.000 2.112 657 Q HA -0.218 4.122 4.340 -0.000 0.000 0.206 657 Q C 1.977 177.994 176.000 0.028 0.000 0.987 657 Q CA 1.561 57.383 55.803 0.032 0.000 0.858 657 Q CB 0.113 28.867 28.738 0.026 0.000 0.905 657 Q HN 0.177 nan 8.270 nan 0.000 0.420 658 K N -0.259 120.167 120.400 0.044 0.000 2.009 658 K HA -0.200 4.120 4.320 -0.000 0.000 0.210 658 K C 1.979 178.607 176.600 0.048 0.000 1.049 658 K CA 1.602 57.914 56.287 0.041 0.000 0.929 658 K CB -0.483 32.045 32.500 0.046 0.000 0.714 658 K HN 0.242 nan 8.250 nan 0.000 0.440 659 F N 2.774 122.686 119.950 -0.063 0.000 2.091 659 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 659 F C 2.447 178.193 175.800 -0.088 0.000 1.103 659 F CA 1.735 59.683 58.000 -0.088 0.000 1.228 659 F CB -0.310 38.622 39.000 -0.113 0.000 0.984 659 F HN 0.103 nan 8.300 nan 0.000 0.477 660 E N 0.757 120.829 120.200 -0.213 0.000 2.077 660 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 660 E C 2.352 178.766 176.600 -0.310 0.000 0.989 660 E CA 1.687 57.893 56.400 -0.324 0.000 0.800 660 E CB -0.506 29.118 29.700 -0.126 0.000 0.746 660 E HN 0.560 nan 8.360 nan 0.000 0.452 661 L N 0.352 121.462 121.223 -0.187 0.000 2.083 661 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 661 L C 2.770 179.540 176.870 -0.165 0.000 1.083 661 L CA 1.096 55.843 54.840 -0.154 0.000 0.752 661 L CB -0.527 41.513 42.059 -0.031 0.000 0.899 661 L HN 0.124 nan 8.230 nan 0.000 0.433 662 A N -0.003 122.717 122.820 -0.168 0.000 1.908 662 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 662 A C 2.134 179.594 177.584 -0.206 0.000 1.181 662 A CA 1.593 53.543 52.037 -0.146 0.000 0.627 662 A CB -0.597 18.334 19.000 -0.115 0.000 0.818 662 A HN 0.259 nan 8.150 nan 0.000 0.445 663 L N -0.170 120.847 121.223 -0.344 0.000 2.017 663 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 663 L C 2.407 179.134 176.870 -0.239 0.000 1.073 663 L CA 2.116 56.762 54.840 -0.325 0.000 0.745 663 L CB -0.637 41.153 42.059 -0.448 0.000 0.894 663 L HN 0.333 nan 8.230 nan 0.000 0.432 664 K N -0.649 119.582 120.400 -0.281 0.000 2.074 664 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 664 K C 1.652 178.161 176.600 -0.151 0.000 1.048 664 K CA 1.818 57.928 56.287 -0.296 0.000 0.926 664 K CB -0.303 31.849 32.500 -0.582 0.000 0.713 664 K HN 0.389 nan 8.250 nan 0.000 0.444 665 V N -2.928 116.930 119.914 -0.092 0.000 3.633 665 V HA 0.332 4.452 4.120 -0.000 0.000 0.283 665 V C 0.889 176.966 176.094 -0.029 0.000 1.305 665 V CA 0.449 62.741 62.300 -0.013 0.000 1.153 665 V CB -0.272 31.570 31.823 0.032 0.000 0.950 665 V HN 0.442 nan 8.190 nan 0.000 0.432 666 G N 0.326 109.089 108.800 -0.062 0.000 2.148 666 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 666 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 666 G C 0.251 175.125 174.900 -0.043 0.000 0.981 666 G CA 0.517 45.586 45.100 -0.052 0.000 0.670 666 G HN 0.647 nan 8.290 nan 0.000 0.528 667 Q N 0.303 120.075 119.800 -0.046 0.000 3.184 667 Q HA 0.409 4.749 4.340 -0.000 0.000 0.288 667 Q C 2.079 178.058 176.000 -0.035 0.000 1.412 667 Q CA -0.325 55.461 55.803 -0.029 0.000 0.991 667 Q CB -0.082 28.645 28.738 -0.018 0.000 1.688 667 Q HN 0.633 nan 8.270 nan 0.000 0.554 668 L N -0.575 120.627 121.223 -0.036 0.000 1.989 668 L HA -0.243 4.097 4.340 -0.000 0.000 0.211 668 L C 2.115 178.988 176.870 0.004 0.000 1.071 668 L CA 1.465 56.287 54.840 -0.029 0.000 0.749 668 L CB -1.023 41.017 42.059 -0.031 0.000 0.890 668 L HN 0.403 nan 8.230 nan 0.000 0.431 669 T N 0.688 115.247 114.554 0.008 0.000 2.635 669 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 669 T C 1.875 176.591 174.700 0.026 0.000 1.040 669 T CA 1.816 63.929 62.100 0.021 0.000 1.156 669 T CB -0.458 68.421 68.868 0.017 0.000 0.863 669 T HN 0.154 nan 8.240 nan 0.000 0.430 670 L N 1.600 122.835 121.223 0.020 0.000 2.021 670 L HA -0.134 4.206 4.340 -0.000 0.000 0.215 670 L C 2.617 179.518 176.870 0.051 0.000 1.074 670 L CA 2.232 57.087 54.840 0.026 0.000 0.760 670 L CB -1.247 40.823 42.059 0.017 0.000 0.889 670 L HN 0.265 nan 8.230 nan 0.000 0.433 671 A N -0.460 122.401 122.820 0.068 0.000 1.865 671 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 671 A C 2.564 180.257 177.584 0.181 0.000 1.191 671 A CA 2.011 54.171 52.037 0.205 0.000 0.623 671 A CB -0.770 18.285 19.000 0.092 0.000 0.826 671 A HN 0.531 nan 8.150 nan 0.000 0.444 672 R N 0.291 120.841 120.500 0.082 0.000 2.080 672 R HA -0.174 4.166 4.340 -0.000 0.000 0.236 672 R C 0.132 176.406 176.300 -0.044 0.000 1.137 672 R CA 1.980 58.076 56.100 -0.007 0.000 0.943 672 R CB -0.720 29.619 30.300 0.064 0.000 0.846 672 R HN 0.487 nan 8.270 nan 0.000 0.431 673 D N 0.472 120.874 120.400 0.004 0.000 2.636 673 D HA -0.028 4.612 4.640 -0.000 0.000 0.256 673 D C 0.224 176.509 176.300 -0.025 0.000 1.280 673 D CA 0.276 54.276 54.000 -0.000 0.000 0.910 673 D CB 0.182 40.991 40.800 0.015 0.000 1.045 673 D HN 0.091 nan 8.370 nan 0.000 0.472 674 L N -0.404 120.772 121.223 -0.079 0.000 3.664 674 L HA 0.305 4.645 4.340 -0.000 0.000 0.341 674 L C -1.475 175.233 176.870 -0.269 0.000 1.247 674 L CA 0.030 54.806 54.840 -0.107 0.000 1.133 674 L CB 0.690 42.742 42.059 -0.012 0.000 1.498 674 L HN -0.121 nan 8.230 nan 0.000 0.628 675 L N -0.526 120.492 121.223 -0.343 0.000 2.439 675 L HA 0.628 4.968 4.340 -0.000 0.000 0.270 675 L C 0.604 177.331 176.870 -0.240 0.000 0.972 675 L CA 0.115 54.650 54.840 -0.509 0.000 0.836 675 L CB 1.768 43.183 42.059 -1.074 0.000 1.255 675 L HN -0.028 nan 8.230 nan 0.000 0.404 676 T N -0.467 114.035 114.554 -0.087 0.000 2.983 676 T HA 0.161 4.511 4.350 -0.000 0.000 0.225 676 T C -0.016 174.831 174.700 0.245 0.000 0.929 676 T CA -0.208 61.945 62.100 0.088 0.000 1.413 676 T CB 0.149 69.043 68.868 0.044 0.000 2.852 676 T HN 0.417 nan 8.240 nan 0.000 0.430 677 D N 1.452 121.954 120.400 0.170 0.000 2.519 677 D HA 0.125 4.765 4.640 -0.000 0.000 0.238 677 D C -0.061 176.332 176.300 0.155 0.000 1.192 677 D CA 0.038 54.153 54.000 0.191 0.000 0.835 677 D CB -0.340 40.522 40.800 0.104 0.000 0.975 677 D HN 0.357 nan 8.370 nan 0.000 0.490 678 E N 1.241 121.508 120.200 0.112 0.000 1.943 678 E HA -0.076 4.274 4.350 -0.000 0.000 0.254 678 E C 1.110 177.740 176.600 0.051 0.000 1.239 678 E CA -0.081 56.313 56.400 -0.010 0.000 1.027 678 E CB 0.042 29.622 29.700 -0.199 0.000 1.087 678 E HN 0.339 nan 8.360 nan 0.000 0.437 679 S N 3.228 118.973 115.700 0.075 0.000 1.931 679 S HA -0.413 4.057 4.470 -0.000 0.000 0.521 679 S C 1.350 176.024 174.600 0.123 0.000 0.931 679 S CA 1.071 59.321 58.200 0.083 0.000 3.252 679 S CB -1.063 62.156 63.200 0.031 0.000 2.277 679 S HN 0.800 nan 8.310 nan 0.000 0.559 680 A N 2.245 125.098 122.820 0.054 0.000 1.829 680 A HA -0.158 4.162 4.320 -0.000 0.000 0.338 680 A C 1.151 178.840 177.584 0.175 0.000 0.916 680 A CA 1.216 53.287 52.037 0.057 0.000 1.518 680 A CB -1.037 17.946 19.000 -0.028 0.000 0.646 680 A HN 0.720 nan 8.150 nan 0.000 0.228 681 E N 1.682 122.005 120.200 0.205 0.000 2.204 681 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 681 E C 1.783 178.547 176.600 0.274 0.000 0.989 681 E CA 1.092 57.676 56.400 0.307 0.000 0.824 681 E CB -0.075 29.729 29.700 0.172 0.000 0.756 681 E HN 0.971 nan 8.360 nan 0.000 0.477 682 M N 0.793 120.496 119.600 0.170 0.000 2.460 682 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 682 M C 1.446 177.840 176.300 0.158 0.000 1.071 682 M CA 1.354 56.741 55.300 0.146 0.000 1.096 682 M CB 0.125 32.782 32.600 0.093 0.000 1.408 682 M HN -0.081 nan 8.290 nan 0.000 0.463 683 K N -0.952 119.524 120.400 0.127 0.000 2.128 683 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 683 K C 1.488 178.168 176.600 0.135 0.000 1.050 683 K CA 1.218 57.562 56.287 0.096 0.000 0.966 683 K CB -0.152 32.227 32.500 -0.201 0.000 0.759 683 K HN 0.403 nan 8.250 nan 0.000 0.454 684 W N 1.765 123.112 121.300 0.078 0.000 2.342 684 W HA -0.129 4.531 4.660 -0.000 0.000 0.297 684 W C 2.414 178.985 176.519 0.087 0.000 1.213 684 W CA 1.034 58.422 57.345 0.072 0.000 1.251 684 W CB -0.020 29.479 29.460 0.065 0.000 1.136 684 W HN 0.098 nan 8.180 nan 0.000 0.526 685 R N 0.667 121.401 120.500 0.390 0.000 2.066 685 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 685 R C 2.283 178.737 176.300 0.256 0.000 1.131 685 R CA 1.805 58.138 56.100 0.388 0.000 0.955 685 R CB -0.706 29.808 30.300 0.356 0.000 0.851 685 R HN 0.067 nan 8.270 nan 0.000 0.432 686 A N 1.196 124.137 122.820 0.201 0.000 1.940 686 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 686 A C 2.046 179.657 177.584 0.045 0.000 1.176 686 A CA 1.475 53.581 52.037 0.114 0.000 0.631 686 A CB -0.624 18.443 19.000 0.113 0.000 0.814 686 A HN 0.429 nan 8.150 nan 0.000 0.446 687 L N -0.119 121.170 121.223 0.110 0.000 2.109 687 L HA 0.068 4.408 4.340 -0.000 0.000 0.207 687 L C 2.324 179.128 176.870 -0.109 0.000 1.086 687 L CA 2.240 57.110 54.840 0.049 0.000 0.760 687 L CB -1.083 41.088 42.059 0.186 0.000 0.910 687 L HN 0.263 nan 8.230 nan 0.000 0.437 688 G N -1.025 107.614 108.800 -0.269 0.000 2.404 688 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.215 688 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.215 688 G C 1.319 175.863 174.900 -0.593 0.000 1.174 688 G CA 0.774 45.352 45.100 -0.870 0.000 0.780 688 G HN 0.432 nan 8.290 nan 0.000 0.537 689 D N 1.078 121.382 120.400 -0.161 0.000 2.117 689 D HA -0.089 4.551 4.640 -0.000 0.000 0.197 689 D C 2.873 179.151 176.300 -0.036 0.000 0.987 689 D CA 1.236 55.284 54.000 0.079 0.000 0.829 689 D CB -0.224 40.665 40.800 0.149 0.000 0.961 689 D HN 0.301 nan 8.370 nan 0.000 0.460 690 A N 1.093 123.865 122.820 -0.080 0.000 1.865 690 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 690 A C 2.518 180.039 177.584 -0.106 0.000 1.191 690 A CA 2.097 54.075 52.037 -0.097 0.000 0.623 690 A CB -0.644 18.277 19.000 -0.132 0.000 0.826 690 A HN 0.174 nan 8.150 nan 0.000 0.444 691 S N -0.324 115.295 115.700 -0.135 0.000 2.359 691 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 691 S C 1.862 176.347 174.600 -0.192 0.000 1.035 691 S CA 1.524 59.637 58.200 -0.145 0.000 1.018 691 S CB -0.559 62.549 63.200 -0.154 0.000 0.876 691 S HN 0.496 nan 8.310 nan 0.000 0.448 692 L N 1.948 123.053 121.223 -0.197 0.000 2.131 692 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 692 L C 2.206 178.917 176.870 -0.264 0.000 1.092 692 L CA 1.648 56.342 54.840 -0.243 0.000 0.759 692 L CB -0.775 41.254 42.059 -0.049 0.000 0.903 692 L HN 0.284 nan 8.230 nan 0.000 0.435 693 Q N -0.028 119.693 119.800 -0.132 0.000 2.084 693 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 693 Q C 0.853 176.872 176.000 0.031 0.000 0.978 693 Q CA 1.512 57.277 55.803 -0.063 0.000 0.844 693 Q CB -0.165 28.558 28.738 -0.025 0.000 0.898 693 Q HN 0.578 nan 8.270 nan 0.000 0.426 694 R N 0.077 120.585 120.500 0.013 0.000 3.351 694 R HA 0.131 4.471 4.340 -0.000 0.000 0.296 694 R C -0.659 175.734 176.300 0.155 0.000 1.427 694 R CA -0.312 55.861 56.100 0.122 0.000 1.257 694 R CB -0.359 29.955 30.300 0.023 0.000 1.378 694 R HN 0.077 nan 8.270 nan 0.000 0.610 695 F N 0.852 120.608 119.950 -0.323 0.000 3.056 695 F HA -0.280 4.247 4.527 -0.000 0.000 0.266 695 F C 0.385 175.782 175.800 -0.671 0.000 0.957 695 F CA 0.607 58.240 58.000 -0.612 0.000 0.894 695 F CB -1.927 36.947 39.000 -0.210 0.000 0.832 695 F HN 0.339 nan 8.300 nan 0.000 0.745 696 N N 0.501 118.947 118.700 -0.424 0.000 3.194 696 N HA 0.265 5.005 4.740 -0.000 0.000 0.271 696 N C 0.870 176.245 175.510 -0.225 0.000 1.308 696 N CA -0.453 52.467 53.050 -0.217 0.000 1.042 696 N CB -0.299 38.130 38.487 -0.096 0.000 1.310 696 N HN 0.129 nan 8.380 nan 0.000 0.502 697 F N 0.905 120.909 119.950 0.090 0.000 2.120 697 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 697 F C 2.325 178.168 175.800 0.072 0.000 1.095 697 F CA 1.091 59.163 58.000 0.119 0.000 1.249 697 F CB -0.089 39.085 39.000 0.291 0.000 0.995 697 F HN 0.342 nan 8.300 nan 0.000 0.480 698 K N 0.833 121.362 120.400 0.214 0.000 2.074 698 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 698 K C 2.062 178.702 176.600 0.066 0.000 1.048 698 K CA 1.403 57.758 56.287 0.113 0.000 0.926 698 K CB -0.355 32.191 32.500 0.076 0.000 0.713 698 K HN 0.329 nan 8.250 nan 0.000 0.444 699 L N -0.092 121.152 121.223 0.034 0.000 2.131 699 L HA -0.057 4.283 4.340 -0.000 0.000 0.206 699 L C 2.476 179.320 176.870 -0.043 0.000 1.087 699 L CA 0.943 55.788 54.840 0.008 0.000 0.767 699 L CB -0.398 41.659 42.059 -0.004 0.000 0.917 699 L HN 0.334 nan 8.230 nan 0.000 0.441 700 A N 0.633 123.398 122.820 -0.091 0.000 1.865 700 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 700 A C 2.101 179.586 177.584 -0.166 0.000 1.191 700 A CA 1.798 53.686 52.037 -0.249 0.000 0.623 700 A CB -0.788 18.124 19.000 -0.146 0.000 0.826 700 A HN 0.389 nan 8.150 nan 0.000 0.444 701 I N -0.508 120.073 120.570 0.018 0.000 2.194 701 I HA -0.321 3.849 4.170 -0.000 0.000 0.246 701 I C 2.625 178.753 176.117 0.019 0.000 1.093 701 I CA 2.065 63.390 61.300 0.041 0.000 1.355 701 I CB -0.396 37.634 38.000 0.050 0.000 1.046 701 I HN 0.619 nan 8.210 nan 0.000 0.413 702 E N 1.290 121.491 120.200 0.002 0.000 2.072 702 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 702 E C 2.261 178.822 176.600 -0.066 0.000 0.985 702 E CA 1.205 57.591 56.400 -0.023 0.000 0.801 702 E CB 0.000 29.710 29.700 0.016 0.000 0.750 702 E HN 0.465 nan 8.360 nan 0.000 0.452 703 A N 0.853 123.664 122.820 -0.014 0.000 1.845 703 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 703 A C 2.037 179.650 177.584 0.048 0.000 1.195 703 A CA 1.410 53.500 52.037 0.087 0.000 0.616 703 A CB -1.205 17.787 19.000 -0.014 0.000 0.832 703 A HN 0.430 nan 8.150 nan 0.000 0.443 704 F N 0.475 120.459 119.950 0.058 0.000 2.202 704 F HA -0.201 4.326 4.527 -0.000 0.000 0.301 704 F C 2.773 178.540 175.800 -0.056 0.000 1.082 704 F CA 1.216 59.230 58.000 0.023 0.000 1.313 704 F CB -0.488 38.516 39.000 0.008 0.000 1.024 704 F HN 0.178 nan 8.300 nan 0.000 0.495 705 T N -0.225 114.368 114.554 0.064 0.000 2.708 705 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 705 T C 1.624 176.141 174.700 -0.305 0.000 1.037 705 T CA 1.439 63.483 62.100 -0.093 0.000 1.146 705 T CB -0.305 68.511 68.868 -0.086 0.000 0.865 705 T HN 0.196 nan 8.240 nan 0.000 0.435 706 N N 1.503 119.961 118.700 -0.402 0.000 2.331 706 N HA 0.067 4.807 4.740 -0.000 0.000 0.180 706 N C 1.813 177.158 175.510 -0.276 0.000 1.019 706 N CA 0.869 53.549 53.050 -0.617 0.000 0.881 706 N CB -0.317 37.340 38.487 -1.384 0.000 0.972 706 N HN 0.405 nan 8.380 nan 0.000 0.435 707 A N 0.188 122.979 122.820 -0.048 0.000 2.167 707 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 707 A C -0.146 177.646 177.584 0.347 0.000 1.151 707 A CA 0.400 52.591 52.037 0.257 0.000 0.735 707 A CB -0.534 18.683 19.000 0.361 0.000 0.802 707 A HN 0.407 nan 8.150 nan 0.000 0.467 708 H N -1.382 117.697 119.070 0.016 0.000 2.899 708 H HA -0.158 4.398 4.556 -0.000 0.000 0.282 708 H C -0.216 175.127 175.328 0.025 0.000 1.198 708 H CA 0.790 56.845 56.048 0.011 0.000 1.140 708 H CB -1.915 27.845 29.762 -0.004 0.000 1.317 708 H HN 0.589 nan 8.280 nan 0.000 0.375 709 D N 0.764 121.243 120.400 0.132 0.000 2.483 709 D HA 0.135 4.775 4.640 -0.000 0.000 0.220 709 D C 1.251 177.528 176.300 -0.038 0.000 1.173 709 D CA -0.232 53.792 54.000 0.040 0.000 0.964 709 D CB -0.023 40.791 40.800 0.023 0.000 1.046 709 D HN 0.442 nan 8.370 nan 0.000 0.517 710 L N 1.842 123.056 121.223 -0.016 0.000 2.131 710 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 710 L C 1.900 178.755 176.870 -0.025 0.000 1.092 710 L CA 0.859 55.690 54.840 -0.015 0.000 0.759 710 L CB -0.192 41.852 42.059 -0.024 0.000 0.903 710 L HN 0.319 nan 8.230 nan 0.000 0.435 711 E N 0.111 120.267 120.200 -0.073 0.000 2.031 711 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 711 E C 2.415 178.965 176.600 -0.083 0.000 0.994 711 E CA 1.522 57.887 56.400 -0.057 0.000 0.800 711 E CB -0.079 29.570 29.700 -0.084 0.000 0.752 711 E HN 0.240 nan 8.360 nan 0.000 0.447 712 S N 0.254 115.765 115.700 -0.315 0.000 2.368 712 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 712 S C 1.784 176.164 174.600 -0.367 0.000 1.029 712 S CA 0.626 58.482 58.200 -0.573 0.000 0.988 712 S CB -0.267 61.979 63.200 -1.590 0.000 0.838 712 S HN 0.139 nan 8.310 nan 0.000 0.462 713 L N 1.176 122.260 121.223 -0.231 0.000 2.079 713 L HA -0.025 4.315 4.340 -0.000 0.000 0.210 713 L C 1.884 178.759 176.870 0.008 0.000 1.081 713 L CA 1.561 56.375 54.840 -0.044 0.000 0.752 713 L CB -0.809 41.287 42.059 0.061 0.000 0.896 713 L HN 0.330 nan 8.230 nan 0.000 0.433 714 F N -0.952 118.956 119.950 -0.070 0.000 2.134 714 F HA -0.209 4.318 4.527 -0.000 0.000 0.299 714 F C 1.973 177.739 175.800 -0.057 0.000 1.097 714 F CA 1.352 59.333 58.000 -0.031 0.000 1.264 714 F CB -0.322 38.648 39.000 -0.050 0.000 1.001 714 F HN 0.070 nan 8.300 nan 0.000 0.479 715 L N 0.116 121.207 121.223 -0.221 0.000 2.131 715 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 715 L C 2.262 178.919 176.870 -0.354 0.000 1.092 715 L CA 1.514 56.157 54.840 -0.328 0.000 0.759 715 L CB -1.128 40.834 42.059 -0.160 0.000 0.903 715 L HN 0.237 nan 8.230 nan 0.000 0.435 716 L N -2.229 118.835 121.223 -0.265 0.000 2.034 716 L HA -0.141 4.199 4.340 -0.000 0.000 0.203 716 L C 2.601 179.316 176.870 -0.257 0.000 1.074 716 L CA 0.630 55.302 54.840 -0.279 0.000 0.748 716 L CB -0.724 41.257 42.059 -0.131 0.000 0.905 716 L HN 0.280 nan 8.230 nan 0.000 0.439 717 H N -0.250 118.758 119.070 -0.103 0.000 2.421 717 H HA -0.110 4.446 4.556 -0.000 0.000 0.298 717 H C 2.565 177.794 175.328 -0.165 0.000 1.087 717 H CA 1.637 57.647 56.048 -0.064 0.000 1.330 717 H CB -0.182 29.565 29.762 -0.026 0.000 1.388 717 H HN 0.398 nan 8.280 nan 0.000 0.526 718 S N -0.652 114.896 115.700 -0.254 0.000 2.414 718 S HA -0.044 4.426 4.470 -0.000 0.000 0.227 718 S C 2.337 176.768 174.600 -0.282 0.000 1.022 718 S CA 0.887 58.873 58.200 -0.357 0.000 0.958 718 S CB -0.096 62.619 63.200 -0.807 0.000 0.797 718 S HN 0.141 nan 8.310 nan 0.000 0.493 719 S N 0.831 116.308 115.700 -0.372 0.000 2.387 719 S HA 0.270 4.740 4.470 -0.000 0.000 0.226 719 S C 0.778 175.192 174.600 -0.309 0.000 1.026 719 S CA 0.646 58.586 58.200 -0.432 0.000 0.972 719 S CB -0.393 62.380 63.200 -0.712 0.000 0.814 719 S HN 0.671 nan 8.310 nan 0.000 0.477 720 F N 1.978 121.856 119.950 -0.121 0.000 2.730 720 F HA 0.290 4.817 4.527 -0.000 0.000 0.295 720 F C 0.352 176.120 175.800 -0.053 0.000 1.143 720 F CA -0.708 57.237 58.000 -0.092 0.000 1.367 720 F CB -0.216 38.733 39.000 -0.084 0.000 0.970 720 F HN 0.008 nan 8.300 nan 0.000 0.514 721 N N 2.257 121.006 118.700 0.082 0.000 2.712 721 N HA -0.291 4.449 4.740 -0.000 0.000 0.263 721 N C -0.462 175.068 175.510 0.034 0.000 0.954 721 N CA 0.467 53.532 53.050 0.024 0.000 0.812 721 N CB -1.075 37.413 38.487 0.002 0.000 0.912 721 N HN 0.374 nan 8.380 nan 0.000 0.551 722 N N 1.009 119.748 118.700 0.065 0.000 2.602 722 N HA 0.058 4.798 4.740 -0.000 0.000 0.238 722 N C 1.108 176.579 175.510 -0.064 0.000 1.084 722 N CA -0.113 52.952 53.050 0.024 0.000 0.952 722 N CB 0.618 39.168 38.487 0.105 0.000 1.244 722 N HN 0.321 nan 8.380 nan 0.000 0.512 723 K N 2.323 122.689 120.400 -0.056 0.000 2.074 723 K HA -0.207 4.113 4.320 -0.000 0.000 0.209 723 K C 1.411 177.960 176.600 -0.085 0.000 1.048 723 K CA 1.502 57.750 56.287 -0.064 0.000 0.926 723 K CB 0.178 32.647 32.500 -0.051 0.000 0.713 723 K HN 0.592 nan 8.250 nan 0.000 0.444 724 E N -0.996 119.144 120.200 -0.101 0.000 2.158 724 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 724 E C 1.827 178.310 176.600 -0.195 0.000 0.982 724 E CA 0.952 57.286 56.400 -0.110 0.000 0.823 724 E CB -0.077 29.573 29.700 -0.084 0.000 0.766 724 E HN 0.450 nan 8.360 nan 0.000 0.468 725 G N 1.267 109.853 108.800 -0.357 0.000 2.414 725 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.215 725 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.215 725 G C 1.416 176.066 174.900 -0.416 0.000 1.188 725 G CA 0.636 45.294 45.100 -0.736 0.000 0.783 725 G HN 0.168 nan 8.290 nan 0.000 0.537 726 L N 0.691 121.762 121.223 -0.252 0.000 1.971 726 L HA -0.105 4.235 4.340 -0.000 0.000 0.215 726 L C 3.205 180.001 176.870 -0.124 0.000 1.072 726 L CA 1.118 55.908 54.840 -0.082 0.000 0.758 726 L CB -1.095 40.944 42.059 -0.033 0.000 0.889 726 L HN 0.107 nan 8.230 nan 0.000 0.433 727 V N -0.923 118.927 119.914 -0.107 0.000 2.469 727 V HA -0.323 3.797 4.120 -0.000 0.000 0.251 727 V C 2.378 178.415 176.094 -0.096 0.000 1.064 727 V CA 2.126 64.379 62.300 -0.078 0.000 1.066 727 V CB -0.902 30.936 31.823 0.024 0.000 0.667 727 V HN 0.544 nan 8.190 nan 0.000 0.461 728 T N -0.109 114.386 114.554 -0.097 0.000 2.857 728 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 728 T C 1.866 176.518 174.700 -0.079 0.000 1.048 728 T CA 1.453 63.509 62.100 -0.074 0.000 1.139 728 T CB -0.178 68.641 68.868 -0.081 0.000 0.874 728 T HN 0.412 nan 8.240 nan 0.000 0.455 729 L N 0.867 122.038 121.223 -0.087 0.000 2.056 729 L HA -0.012 4.328 4.340 -0.000 0.000 0.207 729 L C 2.696 179.489 176.870 -0.128 0.000 1.078 729 L CA 1.453 56.260 54.840 -0.056 0.000 0.749 729 L CB -0.575 41.502 42.059 0.031 0.000 0.901 729 L HN 0.249 nan 8.230 nan 0.000 0.433 730 A N 0.152 122.814 122.820 -0.265 0.000 1.851 730 A HA -0.288 4.032 4.320 -0.000 0.000 0.216 730 A C 2.302 179.750 177.584 -0.228 0.000 1.195 730 A CA 2.217 53.978 52.037 -0.459 0.000 0.622 730 A CB -0.664 17.548 19.000 -1.314 0.000 0.831 730 A HN 0.457 nan 8.150 nan 0.000 0.444 731 K N -0.699 119.625 120.400 -0.127 0.000 2.089 731 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 731 K C 1.704 178.311 176.600 0.011 0.000 1.048 731 K CA 1.852 58.156 56.287 0.029 0.000 0.926 731 K CB -0.312 32.219 32.500 0.052 0.000 0.714 731 K HN 0.460 nan 8.250 nan 0.000 0.448 732 D N 0.029 120.414 120.400 -0.025 0.000 2.097 732 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 732 D C 1.759 178.042 176.300 -0.029 0.000 0.989 732 D CA 1.407 55.398 54.000 -0.016 0.000 0.827 732 D CB -0.186 40.601 40.800 -0.021 0.000 0.966 732 D HN 0.242 nan 8.370 nan 0.000 0.456 733 A N 0.709 123.494 122.820 -0.059 0.000 1.940 733 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 733 A C 2.032 179.575 177.584 -0.069 0.000 1.176 733 A CA 1.574 53.561 52.037 -0.084 0.000 0.631 733 A CB -0.531 18.402 19.000 -0.112 0.000 0.814 733 A HN 0.225 nan 8.150 nan 0.000 0.446 734 E N -0.910 119.306 120.200 0.028 0.000 2.077 734 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 734 E C 2.052 178.693 176.600 0.069 0.000 0.989 734 E CA 1.586 58.073 56.400 0.145 0.000 0.800 734 E CB -0.314 29.522 29.700 0.227 0.000 0.746 734 E HN 0.603 nan 8.360 nan 0.000 0.452 735 T N 0.371 114.947 114.554 0.035 0.000 2.833 735 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 735 T C 1.779 176.458 174.700 -0.034 0.000 1.054 735 T CA 1.464 63.576 62.100 0.019 0.000 1.135 735 T CB -0.193 68.688 68.868 0.021 0.000 0.869 735 T HN 0.119 nan 8.240 nan 0.000 0.466 736 T N 0.087 114.594 114.554 -0.079 0.000 3.129 736 T HA 0.367 4.717 4.350 -0.000 0.000 0.251 736 T C 1.660 176.214 174.700 -0.244 0.000 1.117 736 T CA 0.609 62.636 62.100 -0.121 0.000 1.034 736 T CB -0.094 68.715 68.868 -0.097 0.000 0.968 736 T HN 0.558 nan 8.240 nan 0.000 0.526 737 G N 2.212 110.771 108.800 -0.402 0.000 2.179 737 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 737 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 737 G C 0.381 174.643 174.900 -1.062 0.000 0.977 737 G CA -0.275 44.279 45.100 -0.910 0.000 0.641 737 G HN 0.394 nan 8.290 nan 0.000 0.533 738 K N 0.964 121.039 120.400 -0.541 0.000 2.408 738 K HA 0.313 4.633 4.320 -0.000 0.000 0.231 738 K C 1.249 177.723 176.600 -0.210 0.000 1.261 738 K CA -0.268 55.823 56.287 -0.327 0.000 1.193 738 K CB -0.902 31.479 32.500 -0.198 0.000 1.431 738 K HN 0.509 nan 8.250 nan 0.000 0.243 739 F N 0.126 120.060 119.950 -0.027 0.000 2.171 739 F HA -0.255 4.272 4.527 -0.000 0.000 0.300 739 F C 1.930 177.735 175.800 0.009 0.000 1.090 739 F CA 0.746 58.745 58.000 -0.002 0.000 1.293 739 F CB -0.135 38.859 39.000 -0.011 0.000 1.013 739 F HN 0.376 nan 8.300 nan 0.000 0.486 740 N N 0.386 119.163 118.700 0.129 0.000 2.106 740 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 740 N C 1.688 177.197 175.510 -0.002 0.000 1.029 740 N CA 0.608 53.694 53.050 0.060 0.000 0.848 740 N CB -0.299 38.182 38.487 -0.009 0.000 1.007 740 N HN 0.039 nan 8.380 nan 0.000 0.423 741 L N 0.874 122.025 121.223 -0.120 0.000 2.012 741 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 741 L C 2.021 178.733 176.870 -0.263 0.000 1.073 741 L CA 1.783 56.434 54.840 -0.315 0.000 0.748 741 L CB -1.078 40.797 42.059 -0.307 0.000 0.891 741 L HN 0.189 nan 8.230 nan 0.000 0.431 742 A N -0.977 121.779 122.820 -0.107 0.000 1.892 742 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 742 A C 2.320 179.906 177.584 0.004 0.000 1.188 742 A CA 2.204 54.181 52.037 -0.100 0.000 0.631 742 A CB -1.324 17.726 19.000 0.083 0.000 0.822 742 A HN 0.552 nan 8.150 nan 0.000 0.447 743 F N 1.515 121.515 119.950 0.083 0.000 2.102 743 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 743 F C 2.051 177.951 175.800 0.166 0.000 1.105 743 F CA 2.168 60.276 58.000 0.179 0.000 1.239 743 F CB -0.268 38.778 39.000 0.076 0.000 0.991 743 F HN 0.231 nan 8.300 nan 0.000 0.474 744 N N 0.863 119.625 118.700 0.104 0.000 2.166 744 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 744 N C 1.998 177.600 175.510 0.153 0.000 1.019 744 N CA 1.367 54.479 53.050 0.103 0.000 0.856 744 N CB -0.882 37.616 38.487 0.018 0.000 0.993 744 N HN 0.448 nan 8.380 nan 0.000 0.426 745 A N 0.607 123.428 122.820 0.001 0.000 1.858 745 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 745 A C 2.007 179.596 177.584 0.008 0.000 1.190 745 A CA 1.066 53.165 52.037 0.105 0.000 0.617 745 A CB -1.162 17.773 19.000 -0.108 0.000 0.827 745 A HN 0.339 nan 8.150 nan 0.000 0.443 746 Y N -1.784 118.494 120.300 -0.036 0.000 2.151 746 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 746 Y C 2.462 178.278 175.900 -0.139 0.000 1.166 746 Y CA 1.439 59.479 58.100 -0.100 0.000 1.163 746 Y CB -0.269 38.104 38.460 -0.146 0.000 0.974 746 Y HN 0.611 nan 8.280 nan 0.000 0.511 747 W N 1.218 122.374 121.300 -0.241 0.000 2.329 747 W HA -0.283 4.377 4.660 -0.000 0.000 0.324 747 W C 1.997 178.440 176.519 -0.126 0.000 1.222 747 W CA 2.064 59.232 57.345 -0.295 0.000 1.270 747 W CB -0.634 28.591 29.460 -0.390 0.000 1.167 747 W HN 0.074 nan 8.180 nan 0.000 0.467 748 I N 1.409 121.969 120.570 -0.017 0.000 2.335 748 I HA -0.291 3.879 4.170 -0.000 0.000 0.251 748 I C 2.581 178.602 176.117 -0.159 0.000 1.129 748 I CA 1.402 62.639 61.300 -0.105 0.000 1.402 748 I CB -0.959 37.069 38.000 0.047 0.000 1.069 748 I HN -0.009 nan 8.210 nan 0.000 0.424 749 A N 0.388 123.148 122.820 -0.100 0.000 2.119 749 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 749 A C 2.048 179.544 177.584 -0.147 0.000 1.153 749 A CA 1.128 53.111 52.037 -0.088 0.000 0.692 749 A CB -0.691 18.293 19.000 -0.026 0.000 0.799 749 A HN 0.594 nan 8.150 nan 0.000 0.458 750 G N -0.657 107.986 108.800 -0.261 0.000 2.157 750 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.248 750 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.248 750 G C 0.080 174.851 174.900 -0.215 0.000 0.979 750 G CA 0.442 45.344 45.100 -0.329 0.000 0.650 750 G HN 0.556 nan 8.290 nan 0.000 0.529 751 D N 0.440 120.770 120.400 -0.116 0.000 2.608 751 D HA 0.347 4.987 4.640 -0.000 0.000 0.224 751 D C 1.698 177.934 176.300 -0.106 0.000 1.123 751 D CA -0.351 53.616 54.000 -0.055 0.000 1.030 751 D CB -0.259 40.598 40.800 0.095 0.000 1.093 751 D HN 0.237 nan 8.370 nan 0.000 0.497 752 I N 1.751 122.254 120.570 -0.113 0.000 2.163 752 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 752 I C 1.911 177.987 176.117 -0.069 0.000 1.085 752 I CA 1.522 62.788 61.300 -0.057 0.000 1.347 752 I CB 0.117 38.109 38.000 -0.014 0.000 1.044 752 I HN 0.268 nan 8.210 nan 0.000 0.408 753 Q N 0.461 120.209 119.800 -0.086 0.000 2.135 753 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 753 Q C 2.232 178.105 176.000 -0.212 0.000 0.981 753 Q CA 1.718 57.461 55.803 -0.101 0.000 0.856 753 Q CB -1.004 27.689 28.738 -0.075 0.000 0.902 753 Q HN 0.698 nan 8.270 nan 0.000 0.425 754 G N 0.292 108.866 108.800 -0.376 0.000 2.394 754 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.215 754 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.215 754 G C 1.553 175.896 174.900 -0.927 0.000 1.165 754 G CA 0.989 45.576 45.100 -0.855 0.000 0.784 754 G HN 0.455 nan 8.290 nan 0.000 0.535 755 A N 0.781 123.262 122.820 -0.565 0.000 1.902 755 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 755 A C 2.199 179.790 177.584 0.012 0.000 1.181 755 A CA 2.127 54.062 52.037 -0.169 0.000 0.623 755 A CB -0.433 18.512 19.000 -0.091 0.000 0.818 755 A HN 0.392 nan 8.150 nan 0.000 0.443 756 K N -0.345 120.041 120.400 -0.024 0.000 2.009 756 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 756 K C 1.368 177.936 176.600 -0.054 0.000 1.049 756 K CA 1.857 58.147 56.287 0.006 0.000 0.929 756 K CB -0.341 32.164 32.500 0.010 0.000 0.714 756 K HN 0.388 nan 8.250 nan 0.000 0.440 757 D N 1.276 121.616 120.400 -0.101 0.000 2.182 757 D HA -0.196 4.444 4.640 -0.000 0.000 0.201 757 D C 1.961 178.198 176.300 -0.105 0.000 0.986 757 D CA 0.728 54.667 54.000 -0.101 0.000 0.847 757 D CB -0.163 40.574 40.800 -0.105 0.000 0.942 757 D HN 0.278 nan 8.370 nan 0.000 0.467 758 L N 0.236 121.407 121.223 -0.087 0.000 1.989 758 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 758 L C 2.210 179.014 176.870 -0.110 0.000 1.071 758 L CA 0.959 55.785 54.840 -0.024 0.000 0.749 758 L CB -0.138 42.007 42.059 0.144 0.000 0.890 758 L HN 0.021 nan 8.230 nan 0.000 0.431 759 L N 0.026 121.196 121.223 -0.088 0.000 2.079 759 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 759 L C 2.343 179.012 176.870 -0.336 0.000 1.081 759 L CA 1.801 56.529 54.840 -0.188 0.000 0.752 759 L CB -0.700 41.282 42.059 -0.129 0.000 0.896 759 L HN 0.254 nan 8.230 nan 0.000 0.433 760 I N -0.921 119.456 120.570 -0.322 0.000 2.252 760 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 760 I C 2.133 177.975 176.117 -0.458 0.000 1.102 760 I CA 0.973 61.968 61.300 -0.508 0.000 1.385 760 I CB -0.234 37.607 38.000 -0.265 0.000 1.064 760 I HN 0.224 nan 8.210 nan 0.000 0.414 761 K N 0.303 120.540 120.400 -0.271 0.000 2.360 761 K HA -0.060 4.260 4.320 -0.000 0.000 0.201 761 K C 1.511 177.948 176.600 -0.272 0.000 1.046 761 K CA 1.012 57.175 56.287 -0.207 0.000 0.945 761 K CB -0.100 32.317 32.500 -0.139 0.000 0.750 761 K HN 0.169 nan 8.250 nan 0.000 0.464 762 S N 0.609 116.092 115.700 -0.361 0.000 2.572 762 S HA 0.043 4.513 4.470 -0.000 0.000 0.228 762 S C -0.340 174.064 174.600 -0.327 0.000 0.963 762 S CA -0.235 57.745 58.200 -0.366 0.000 0.939 762 S CB 0.351 63.296 63.200 -0.426 0.000 0.804 762 S HN 0.190 nan 8.310 nan 0.000 0.480 763 Q N 0.918 120.446 119.800 -0.454 0.000 2.481 763 Q HA -0.175 4.165 4.340 -0.000 0.000 0.272 763 Q C -0.136 175.621 176.000 -0.406 0.000 1.157 763 Q CA 0.663 56.184 55.803 -0.470 0.000 0.935 763 Q CB -1.471 27.268 28.738 0.002 0.000 1.338 763 Q HN 0.437 nan 8.270 nan 0.000 0.494 764 R N -0.047 120.130 120.500 -0.538 0.000 3.752 764 R HA 0.192 4.532 4.340 -0.000 0.000 0.291 764 R C 0.274 176.348 176.300 -0.377 0.000 1.433 764 R CA -0.211 55.688 56.100 -0.335 0.000 1.518 764 R CB -0.177 29.954 30.300 -0.282 0.000 1.413 764 R HN 0.202 nan 8.270 nan 0.000 0.676 765 F N 0.447 120.235 119.950 -0.270 0.000 2.134 765 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 765 F C 2.709 178.110 175.800 -0.666 0.000 1.097 765 F CA 1.697 59.484 58.000 -0.355 0.000 1.264 765 F CB -0.399 38.447 39.000 -0.256 0.000 1.001 765 F HN 0.241 nan 8.300 nan 0.000 0.479 766 S N 0.184 115.349 115.700 -0.891 0.000 2.368 766 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 766 S C 1.727 176.113 174.600 -0.358 0.000 1.030 766 S CA 1.488 58.955 58.200 -1.221 0.000 0.999 766 S CB -0.828 61.816 63.200 -0.927 0.000 0.844 766 S HN 0.531 nan 8.310 nan 0.000 0.459 767 E N 2.057 122.168 120.200 -0.148 0.000 2.110 767 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 767 E C 2.439 179.050 176.600 0.017 0.000 0.988 767 E CA 0.949 57.362 56.400 0.022 0.000 0.804 767 E CB -0.444 29.188 29.700 -0.112 0.000 0.745 767 E HN 0.713 nan 8.360 nan 0.000 0.458 768 A N 1.816 124.589 122.820 -0.078 0.000 1.902 768 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 768 A C 2.451 180.049 177.584 0.024 0.000 1.181 768 A CA 1.610 53.635 52.037 -0.020 0.000 0.623 768 A CB -0.590 18.375 19.000 -0.058 0.000 0.818 768 A HN 0.285 nan 8.150 nan 0.000 0.443 769 A N -1.095 121.691 122.820 -0.057 0.000 1.902 769 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 769 A C 2.001 179.542 177.584 -0.071 0.000 1.181 769 A CA 1.491 53.488 52.037 -0.066 0.000 0.623 769 A CB -0.770 18.148 19.000 -0.137 0.000 0.818 769 A HN 0.484 nan 8.150 nan 0.000 0.443 770 F N -0.836 119.111 119.950 -0.005 0.000 2.102 770 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 770 F C 2.135 177.987 175.800 0.087 0.000 1.105 770 F CA 1.466 59.481 58.000 0.025 0.000 1.239 770 F CB -0.393 38.598 39.000 -0.014 0.000 0.991 770 F HN 0.265 nan 8.300 nan 0.000 0.474 771 L N 0.403 121.817 121.223 0.319 0.000 2.012 771 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 771 L C 2.463 179.555 176.870 0.370 0.000 1.073 771 L CA 2.222 57.291 54.840 0.381 0.000 0.748 771 L CB -1.370 40.869 42.059 0.300 0.000 0.891 771 L HN 0.133 nan 8.230 nan 0.000 0.431 772 G N -1.305 107.628 108.800 0.222 0.000 2.459 772 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 772 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 772 G C 1.608 176.595 174.900 0.144 0.000 1.183 772 G CA 1.211 46.413 45.100 0.171 0.000 0.776 772 G HN 0.586 nan 8.290 nan 0.000 0.552 773 S N -0.361 115.398 115.700 0.098 0.000 2.406 773 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 773 S C 2.215 176.833 174.600 0.029 0.000 1.020 773 S CA 1.854 60.087 58.200 0.055 0.000 0.965 773 S CB -0.589 62.623 63.200 0.021 0.000 0.798 773 S HN 0.251 nan 8.310 nan 0.000 0.488 774 T N 0.759 115.326 114.554 0.023 0.000 2.821 774 T HA 0.025 4.375 4.350 -0.000 0.000 0.267 774 T C 0.172 174.603 174.700 -0.449 0.000 1.046 774 T CA 1.060 63.039 62.100 -0.203 0.000 1.139 774 T CB -0.389 68.326 68.868 -0.255 0.000 0.871 774 T HN 0.606 nan 8.240 nan 0.000 0.454 775 Y N 0.839 121.229 120.300 0.150 0.000 2.833 775 Y HA 0.460 5.010 4.550 -0.000 0.000 0.339 775 Y C 1.366 177.321 175.900 0.091 0.000 1.032 775 Y CA -1.149 57.036 58.100 0.141 0.000 1.450 775 Y CB -0.215 38.370 38.460 0.208 0.000 1.296 775 Y HN 0.191 nan 8.280 nan 0.000 0.535 776 G N 1.316 110.175 108.800 0.098 0.000 2.332 776 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.277 776 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.277 776 G C 0.956 175.907 174.900 0.085 0.000 0.884 776 G CA 0.483 45.628 45.100 0.075 0.000 1.251 776 G HN 0.676 nan 8.290 nan 0.000 0.462 777 L N 0.052 121.332 121.223 0.096 0.000 2.291 777 L HA 0.262 4.602 4.340 -0.000 0.000 0.214 777 L C 1.676 178.577 176.870 0.053 0.000 1.120 777 L CA 1.157 56.044 54.840 0.079 0.000 0.799 777 L CB -0.312 41.798 42.059 0.086 0.000 0.925 777 L HN 1.136 nan 8.230 nan 0.000 0.446 778 G N -0.509 108.319 108.800 0.047 0.000 2.742 778 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 778 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 778 G C -0.414 174.505 174.900 0.032 0.000 1.220 778 G CA -0.377 44.744 45.100 0.034 0.000 0.783 778 G HN 0.058 nan 8.290 nan 0.000 0.646 779 D N 0.636 121.050 120.400 0.024 0.000 2.116 779 D HA -0.128 4.512 4.640 -0.000 0.000 0.193 779 D C 2.400 178.713 176.300 0.022 0.000 0.998 779 D CA 1.678 55.691 54.000 0.021 0.000 0.836 779 D CB 0.108 40.916 40.800 0.013 0.000 0.951 779 D HN 0.397 nan 8.370 nan 0.000 0.449 780 N N 0.620 119.332 118.700 0.020 0.000 2.069 780 N HA -0.147 4.593 4.740 -0.000 0.000 0.191 780 N C 1.671 177.197 175.510 0.027 0.000 1.031 780 N CA 0.750 53.812 53.050 0.020 0.000 0.852 780 N CB -0.190 38.307 38.487 0.016 0.000 1.018 780 N HN 0.272 nan 8.380 nan 0.000 0.423 781 E N 0.908 121.127 120.200 0.031 0.000 2.023 781 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 781 E C 2.149 178.779 176.600 0.050 0.000 1.003 781 E CA 0.817 57.241 56.400 0.039 0.000 0.809 781 E CB -0.346 29.379 29.700 0.041 0.000 0.755 781 E HN 0.066 nan 8.360 nan 0.000 0.449 782 V N 2.574 122.519 119.914 0.050 0.000 2.332 782 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 782 V C 2.095 178.227 176.094 0.064 0.000 1.055 782 V CA 1.711 64.046 62.300 0.058 0.000 1.038 782 V CB -0.577 31.274 31.823 0.046 0.000 0.651 782 V HN 0.230 nan 8.190 nan 0.000 0.450 783 N N 0.128 118.855 118.700 0.045 0.000 2.223 783 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 783 N C 1.555 177.095 175.510 0.049 0.000 1.016 783 N CA 1.508 54.581 53.050 0.038 0.000 0.863 783 N CB -0.341 38.157 38.487 0.018 0.000 0.983 783 N HN 0.525 nan 8.380 nan 0.000 0.429 784 D N 0.936 121.368 120.400 0.053 0.000 2.144 784 D HA -0.050 4.590 4.640 -0.000 0.000 0.199 784 D C 2.073 178.431 176.300 0.096 0.000 0.984 784 D CA 0.489 54.524 54.000 0.059 0.000 0.834 784 D CB -0.014 40.818 40.800 0.053 0.000 0.955 784 D HN 0.340 nan 8.370 nan 0.000 0.465 785 I N 0.614 121.257 120.570 0.121 0.000 2.252 785 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 785 I C 2.474 178.741 176.117 0.249 0.000 1.102 785 I CA 0.547 61.959 61.300 0.188 0.000 1.385 785 I CB -0.224 37.870 38.000 0.157 0.000 1.064 785 I HN -0.131 nan 8.210 nan 0.000 0.414 786 V N 0.539 120.580 119.914 0.212 0.000 2.343 786 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 786 V C 2.537 178.683 176.094 0.087 0.000 1.051 786 V CA 2.428 64.862 62.300 0.223 0.000 1.036 786 V CB -0.991 30.889 31.823 0.096 0.000 0.654 786 V HN 0.454 nan 8.190 nan 0.000 0.451 787 T N -0.199 114.380 114.554 0.042 0.000 2.720 787 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 787 T C 1.921 176.602 174.700 -0.031 0.000 1.037 787 T CA 1.713 63.806 62.100 -0.010 0.000 1.144 787 T CB -0.227 68.641 68.868 0.000 0.000 0.864 787 T HN 0.506 nan 8.240 nan 0.000 0.444 788 K N -0.300 120.103 120.400 0.005 0.000 2.103 788 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 788 K C 2.074 178.420 176.600 -0.424 0.000 1.052 788 K CA 1.038 57.258 56.287 -0.111 0.000 0.945 788 K CB -0.181 32.379 32.500 0.100 0.000 0.722 788 K HN 0.351 nan 8.250 nan 0.000 0.443 789 W N 2.942 123.973 121.300 -0.449 0.000 2.338 789 W HA -0.155 4.505 4.660 -0.000 0.000 0.304 789 W C 1.274 177.575 176.519 -0.363 0.000 1.212 789 W CA 1.396 58.456 57.345 -0.476 0.000 1.264 789 W CB -0.224 29.176 29.460 -0.101 0.000 1.142 789 W HN -0.102 nan 8.180 nan 0.000 0.512 790 K N -0.143 120.171 120.400 -0.143 0.000 2.103 790 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 790 K C 1.934 178.435 176.600 -0.166 0.000 1.052 790 K CA 1.660 57.810 56.287 -0.229 0.000 0.945 790 K CB -0.274 32.087 32.500 -0.232 0.000 0.722 790 K HN 0.188 nan 8.250 nan 0.000 0.443 791 E N 0.865 120.967 120.200 -0.164 0.000 2.072 791 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 791 E C 1.936 178.449 176.600 -0.144 0.000 0.985 791 E CA 0.723 57.043 56.400 -0.133 0.000 0.801 791 E CB -0.102 29.529 29.700 -0.114 0.000 0.750 791 E HN 0.296 nan 8.360 nan 0.000 0.452 792 N N 1.039 119.589 118.700 -0.250 0.000 2.120 792 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 792 N C 1.922 177.387 175.510 -0.075 0.000 1.024 792 N CA 0.821 53.748 53.050 -0.206 0.000 0.852 792 N CB 0.035 38.242 38.487 -0.466 0.000 1.003 792 N HN 0.063 nan 8.380 nan 0.000 0.424 793 L N 1.787 122.975 121.223 -0.059 0.000 2.012 793 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 793 L C 2.383 179.236 176.870 -0.029 0.000 1.073 793 L CA 1.147 55.980 54.840 -0.012 0.000 0.748 793 L CB -0.829 41.208 42.059 -0.037 0.000 0.891 793 L HN 0.230 nan 8.230 nan 0.000 0.431 794 I N -1.662 118.875 120.570 -0.054 0.000 2.286 794 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 794 I C 2.161 178.261 176.117 -0.027 0.000 1.115 794 I CA 0.624 61.898 61.300 -0.044 0.000 1.392 794 I CB -0.179 37.788 38.000 -0.054 0.000 1.065 794 I HN 0.199 nan 8.210 nan 0.000 0.418 795 L N 0.610 121.816 121.223 -0.027 0.000 2.275 795 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 795 L C 1.391 178.262 176.870 0.001 0.000 1.119 795 L CA 1.786 56.620 54.840 -0.011 0.000 0.790 795 L CB -0.831 41.223 42.059 -0.009 0.000 0.919 795 L HN 0.219 nan 8.230 nan 0.000 0.443 796 N N -0.933 117.770 118.700 0.004 0.000 2.270 796 N HA 0.252 4.992 4.740 -0.000 0.000 0.198 796 N C 1.126 176.641 175.510 0.009 0.000 1.117 796 N CA 0.725 53.784 53.050 0.015 0.000 0.845 796 N CB 0.575 39.080 38.487 0.031 0.000 0.980 796 N HN 0.247 nan 8.380 nan 0.000 0.486 797 G N 0.653 109.452 108.800 -0.001 0.000 2.179 797 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 797 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 797 G C 0.303 175.199 174.900 -0.006 0.000 0.977 797 G CA 0.027 45.125 45.100 -0.004 0.000 0.641 797 G HN 0.356 nan 8.290 nan 0.000 0.533 798 K N 1.014 121.410 120.400 -0.006 0.000 3.165 798 K HA 0.217 4.537 4.320 -0.000 0.000 0.259 798 K C 1.469 178.051 176.600 -0.029 0.000 1.282 798 K CA -0.053 56.228 56.287 -0.009 0.000 1.259 798 K CB -0.375 32.130 32.500 0.007 0.000 1.546 798 K HN 0.502 nan 8.250 nan 0.000 0.384 799 N N 0.741 119.421 118.700 -0.032 0.000 2.094 799 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 799 N C 1.862 177.340 175.510 -0.054 0.000 1.023 799 N CA 2.042 55.064 53.050 -0.045 0.000 0.857 799 N CB -0.177 38.288 38.487 -0.036 0.000 1.013 799 N HN 0.410 nan 8.380 nan 0.000 0.426 800 T N -0.488 114.041 114.554 -0.042 0.000 2.746 800 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 800 T C 2.154 176.819 174.700 -0.058 0.000 1.039 800 T CA 1.094 63.167 62.100 -0.044 0.000 1.142 800 T CB -0.716 68.134 68.868 -0.030 0.000 0.866 800 T HN -0.038 nan 8.240 nan 0.000 0.444 801 V N 1.505 121.385 119.914 -0.056 0.000 2.453 801 V HA -0.090 4.030 4.120 -0.000 0.000 0.247 801 V C 3.053 179.065 176.094 -0.136 0.000 1.048 801 V CA 1.664 63.920 62.300 -0.072 0.000 1.049 801 V CB -1.005 30.797 31.823 -0.036 0.000 0.672 801 V HN 0.628 nan 8.190 nan 0.000 0.457 802 S N 0.158 115.777 115.700 -0.136 0.000 2.387 802 S HA -0.281 4.189 4.470 -0.000 0.000 0.230 802 S C 1.873 176.351 174.600 -0.203 0.000 1.035 802 S CA 2.163 60.246 58.200 -0.194 0.000 1.014 802 S CB -0.255 62.861 63.200 -0.140 0.000 0.836 802 S HN 0.758 nan 8.310 nan 0.000 0.466 803 E N -0.235 119.879 120.200 -0.143 0.000 2.435 803 E HA 0.065 4.415 4.350 -0.000 0.000 0.195 803 E C 2.083 178.604 176.600 -0.132 0.000 1.029 803 E CA 0.279 56.603 56.400 -0.127 0.000 0.865 803 E CB 0.069 29.716 29.700 -0.088 0.000 0.833 803 E HN 0.478 nan 8.360 nan 0.000 0.510 804 R N 0.425 120.840 120.500 -0.142 0.000 2.297 804 R HA 0.090 4.430 4.340 -0.000 0.000 0.197 804 R C 0.060 176.253 176.300 -0.178 0.000 0.943 804 R CA -0.012 56.011 56.100 -0.128 0.000 1.038 804 R CB 0.519 30.761 30.300 -0.096 0.000 0.957 804 R HN -0.063 nan 8.270 nan 0.000 0.484 805 V N 1.676 121.425 119.914 -0.275 0.000 2.427 805 V HA 0.028 4.148 4.120 -0.000 0.000 0.268 805 V C 0.666 176.586 176.094 -0.291 0.000 1.046 805 V CA -0.549 61.511 62.300 -0.399 0.000 0.970 805 V CB 0.708 32.073 31.823 -0.763 0.000 1.001 805 V HN 0.256 nan 8.190 nan 0.000 0.476 806 C N 4.463 123.635 119.300 -0.214 0.000 2.500 806 C HA 0.675 5.135 4.460 -0.000 0.000 0.367 806 C C 1.390 176.307 174.990 -0.121 0.000 1.283 806 C CA -0.002 58.934 59.018 -0.136 0.000 2.456 806 C CB 0.649 28.337 27.740 -0.086 0.000 2.457 806 C HN 1.060 nan 8.230 nan 0.000 0.632 807 G N 0.228 108.982 108.800 -0.077 0.000 2.543 807 G HA2 0.473 4.433 3.960 -0.000 0.000 0.267 807 G HA3 0.473 4.433 3.960 -0.000 0.000 0.267 807 G C 1.017 175.902 174.900 -0.024 0.000 1.406 807 G CA 0.314 45.386 45.100 -0.046 0.000 1.048 807 G HN 1.006 nan 8.290 nan 0.000 0.548 808 A N -0.932 121.883 122.820 -0.008 0.000 2.024 808 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 808 A C 2.116 179.696 177.584 -0.007 0.000 1.164 808 A CA 2.339 54.375 52.037 -0.002 0.000 0.643 808 A CB -0.486 18.518 19.000 0.007 0.000 0.806 808 A HN 0.591 nan 8.150 nan 0.000 0.451 809 E N -0.146 120.047 120.200 -0.012 0.000 2.038 809 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 809 E C 2.085 178.677 176.600 -0.013 0.000 1.000 809 E CA 1.357 57.749 56.400 -0.013 0.000 0.803 809 E CB -0.956 28.733 29.700 -0.017 0.000 0.750 809 E HN 0.513 nan 8.360 nan 0.000 0.448 810 G N 0.577 109.365 108.800 -0.020 0.000 2.535 810 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 810 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 810 G C 0.308 175.202 174.900 -0.009 0.000 1.122 810 G CA -0.027 45.063 45.100 -0.018 0.000 0.769 810 G HN 0.112 nan 8.290 nan 0.000 0.549 811 L N 2.843 124.062 121.223 -0.007 0.000 2.433 811 L HA 0.188 4.528 4.340 -0.000 0.000 0.275 811 L C -1.531 175.342 176.870 0.005 0.000 1.128 811 L CA -1.627 53.213 54.840 0.001 0.000 0.875 811 L CB 0.586 42.645 42.059 -0.001 0.000 1.171 811 L HN 0.025 nan 8.230 nan 0.000 0.463 812 P HA -0.091 nan 4.420 nan 0.000 0.257 812 P C 0.589 177.894 177.300 0.009 0.000 1.162 812 P CA 0.333 63.440 63.100 0.011 0.000 0.762 812 P CB 0.376 32.086 31.700 0.017 0.000 0.753 813 G N 3.686 112.490 108.800 0.006 0.000 2.357 813 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.282 813 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.282 813 G C 0.552 175.456 174.900 0.006 0.000 0.910 813 G CA 0.315 45.419 45.100 0.006 0.000 1.267 813 G HN 0.907 nan 8.290 nan 0.000 0.476 814 S N 0.000 115.703 115.700 0.006 0.000 2.498 814 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 814 S CA 0.000 58.204 58.200 0.007 0.000 1.107 814 S CB 0.000 63.204 63.200 0.007 0.000 0.593 814 S HN 0.000 nan 8.310 nan 0.000 0.517