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 3c6p_1_B DATA FIRST_RESID 10 DATA SEQUENCE PEEVLEHVFS FIQLDKDRNS VSLVCKSWYE IERWCRRKVF IGNCYAVSPA DATA SEQUENCE TVIRRFPKVR SVELKGKPHF ADFNLVPDGW GGYVYPWIEA MSSSYTWLEE DATA SEQUENCE IRLKRMVVTD DCLELIAKSF KNFKVLVLSS CEGFSTDGLA AIAATCRNLK DATA SEQUENCE ELDLRESDVD DVSGHWLSHF PDTYTSLVSL NISCLASEVS FSALERLVTR DATA SEQUENCE CPNLKSLKLN RAVPLEKLAT LLQRAPQLEE LGTGGYTAEV RPDVYSGLSV DATA SEQUENCE ALSGCKELRC LSGFWDAVPA YLPAVYSVCS RLTTLNLSYA TVQSYDLVKL DATA SEQUENCE LCQCPKLQRL WVLDYIEDAG LEVLASTCKD LRELRVFPSE PFVMEPNVAL DATA SEQUENCE TEQGLVSVSM GCPKLESVLY FCRQMTNAAL ITIARNRPNM TRFRLCIIEP DATA SEQUENCE KAPDYLTLEP LDIGFGAIVE HCKDLRRLSL SGLLTDKVFE YIGTYAKKME DATA SEQUENCE MLSVAFAGDS DLGMHHVLSG CDSLRKLEIR DCPFGDKALL ANASKLETMR DATA SEQUENCE SLWMSSCSVS FGACKLLGQK MPKLNVEVID ERGAPDSRPE SCPVERVFIY DATA SEQUENCE RTVAGPRFDM PGFVWNM 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.265 177.300 -0.059 0.000 1.155 10 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 10 P CB 0.000 31.698 31.700 -0.004 0.000 0.726 11 E N 0.657 120.826 120.200 -0.052 0.000 2.149 11 E HA -0.311 4.036 4.350 -0.005 0.000 0.215 11 E C 1.009 177.541 176.600 -0.113 0.000 1.055 11 E CA 2.023 58.373 56.400 -0.083 0.000 0.870 11 E CB 0.356 30.028 29.700 -0.047 0.000 0.764 11 E HN 0.418 nan 8.360 nan 0.000 0.463 12 E N -0.163 119.990 120.200 -0.077 0.000 2.047 12 E HA -0.124 4.223 4.350 -0.005 0.000 0.191 12 E C 2.325 178.884 176.600 -0.067 0.000 0.987 12 E CA 0.858 57.219 56.400 -0.065 0.000 0.799 12 E CB -0.462 29.208 29.700 -0.050 0.000 0.752 12 E HN 0.209 nan 8.360 nan 0.000 0.449 13 V N 1.526 121.398 119.914 -0.069 0.000 2.490 13 V HA -0.210 3.907 4.120 -0.005 0.000 0.250 13 V C 2.519 178.543 176.094 -0.117 0.000 1.061 13 V CA 1.194 63.465 62.300 -0.048 0.000 1.064 13 V CB -0.501 31.302 31.823 -0.032 0.000 0.670 13 V HN 0.141 nan 8.190 nan 0.000 0.461 14 L N -0.370 120.700 121.223 -0.255 0.000 2.056 14 L HA -0.184 4.152 4.340 -0.005 0.000 0.207 14 L C 2.580 179.055 176.870 -0.658 0.000 1.078 14 L CA 1.783 56.270 54.840 -0.589 0.000 0.749 14 L CB -0.436 41.166 42.059 -0.762 0.000 0.901 14 L HN 0.334 nan 8.230 nan 0.000 0.433 15 E N -0.918 119.064 120.200 -0.364 0.000 2.118 15 E HA -0.308 4.039 4.350 -0.005 0.000 0.195 15 E C 2.058 178.603 176.600 -0.092 0.000 0.992 15 E CA 1.396 57.685 56.400 -0.185 0.000 0.804 15 E CB 0.055 29.714 29.700 -0.069 0.000 0.741 15 E HN 0.441 nan 8.360 nan 0.000 0.458 16 H N -0.929 118.050 119.070 -0.153 0.000 2.363 16 H HA -0.042 4.511 4.556 -0.005 0.000 0.301 16 H C 1.906 177.190 175.328 -0.073 0.000 1.074 16 H CA 1.532 57.501 56.048 -0.132 0.000 1.354 16 H CB 0.014 29.728 29.762 -0.080 0.000 1.397 16 H HN 0.007 nan 8.280 nan 0.000 0.516 17 V N 0.120 120.068 119.914 0.056 0.000 2.332 17 V HA -0.276 3.841 4.120 -0.005 0.000 0.248 17 V C 2.180 178.418 176.094 0.239 0.000 1.055 17 V CA 1.905 64.317 62.300 0.187 0.000 1.038 17 V CB -0.769 31.107 31.823 0.088 0.000 0.651 17 V HN 0.459 nan 8.190 nan 0.000 0.450 18 F N 0.973 120.853 119.950 -0.118 0.000 2.234 18 F HA -0.176 4.348 4.527 -0.005 0.000 0.299 18 F C 2.704 178.420 175.800 -0.140 0.000 1.087 18 F CA 0.960 58.884 58.000 -0.127 0.000 1.340 18 F CB -0.178 38.733 39.000 -0.148 0.000 1.031 18 F HN 0.357 nan 8.300 nan 0.000 0.500 19 S N -0.181 115.467 115.700 -0.087 0.000 2.453 19 S HA -0.159 4.308 4.470 -0.005 0.000 0.231 19 S C 1.570 175.997 174.600 -0.287 0.000 1.005 19 S CA 0.598 58.645 58.200 -0.255 0.000 0.949 19 S CB -1.151 61.775 63.200 -0.457 0.000 0.774 19 S HN 0.348 nan 8.310 nan 0.000 0.510 20 F N 1.862 121.759 119.950 -0.089 0.000 2.259 20 F HA 0.260 4.784 4.527 -0.005 0.000 0.298 20 F C 0.975 176.745 175.800 -0.050 0.000 1.088 20 F CA 0.085 58.044 58.000 -0.069 0.000 1.358 20 F CB -0.075 38.894 39.000 -0.052 0.000 1.040 20 F HN 0.180 nan 8.300 nan 0.000 0.505 21 I N 1.899 122.538 120.570 0.116 0.000 2.363 21 I HA 0.047 4.214 4.170 -0.005 0.000 0.292 21 I C 0.314 176.414 176.117 -0.028 0.000 1.075 21 I CA 0.231 61.551 61.300 0.033 0.000 1.333 21 I CB 0.804 38.789 38.000 -0.026 0.000 1.415 21 I HN 0.259 nan 8.210 nan 0.000 0.502 22 Q N 3.769 123.555 119.800 -0.023 0.000 2.185 22 Q HA 0.262 4.599 4.340 -0.005 0.000 0.234 22 Q C -0.071 175.893 176.000 -0.059 0.000 0.819 22 Q CA -0.365 55.407 55.803 -0.052 0.000 0.961 22 Q CB 1.005 29.717 28.738 -0.043 0.000 1.140 22 Q HN 0.474 nan 8.270 nan 0.000 0.492 23 L N 2.590 123.786 121.223 -0.044 0.000 2.367 23 L HA 0.061 4.398 4.340 -0.005 0.000 0.275 23 L C 1.124 177.968 176.870 -0.044 0.000 1.129 23 L CA 0.567 55.382 54.840 -0.043 0.000 0.839 23 L CB 0.679 42.724 42.059 -0.024 0.000 1.133 23 L HN -0.020 nan 8.230 nan 0.000 0.453 24 D N 2.844 123.220 120.400 -0.039 0.000 2.127 24 D HA -0.216 4.421 4.640 -0.005 0.000 0.190 24 D C 1.630 177.936 176.300 0.010 0.000 1.000 24 D CA 1.706 55.697 54.000 -0.014 0.000 0.839 24 D CB 0.210 41.032 40.800 0.036 0.000 0.955 24 D HN 0.544 nan 8.370 nan 0.000 0.446 25 K N 0.476 120.890 120.400 0.024 0.000 2.160 25 K HA -0.169 4.147 4.320 -0.005 0.000 0.206 25 K C 1.444 178.062 176.600 0.030 0.000 1.047 25 K CA 1.098 57.408 56.287 0.037 0.000 0.930 25 K CB -0.156 32.366 32.500 0.037 0.000 0.720 25 K HN 0.184 nan 8.250 nan 0.000 0.450 26 D N 0.009 120.415 120.400 0.010 0.000 2.289 26 D HA -0.019 4.618 4.640 -0.005 0.000 0.207 26 D C 1.971 178.256 176.300 -0.024 0.000 0.966 26 D CA 0.460 54.464 54.000 0.007 0.000 0.868 26 D CB 0.131 40.933 40.800 0.002 0.000 0.943 26 D HN 0.086 nan 8.370 nan 0.000 0.514 27 R N 0.536 121.008 120.500 -0.047 0.000 2.075 27 R HA 0.032 4.368 4.340 -0.005 0.000 0.226 27 R C 1.629 177.917 176.300 -0.021 0.000 1.114 27 R CA 0.570 56.614 56.100 -0.092 0.000 0.972 27 R CB -0.229 30.004 30.300 -0.111 0.000 0.869 27 R HN 0.170 nan 8.270 nan 0.000 0.437 28 N N 0.516 119.236 118.700 0.033 0.000 2.106 28 N HA -0.128 4.609 4.740 -0.005 0.000 0.188 28 N C 1.739 177.309 175.510 0.099 0.000 1.029 28 N CA 1.266 54.371 53.050 0.091 0.000 0.848 28 N CB -0.548 37.998 38.487 0.098 0.000 1.007 28 N HN 0.029 nan 8.380 nan 0.000 0.423 29 S N 0.557 116.304 115.700 0.078 0.000 2.374 29 S HA -0.136 4.331 4.470 -0.005 0.000 0.227 29 S C 2.048 176.725 174.600 0.129 0.000 1.037 29 S CA 1.772 60.026 58.200 0.091 0.000 1.024 29 S CB -0.363 62.883 63.200 0.076 0.000 0.861 29 S HN 0.277 nan 8.310 nan 0.000 0.456 30 V N 0.982 120.962 119.914 0.110 0.000 2.871 30 V HA 0.050 4.166 4.120 -0.005 0.000 0.256 30 V C 2.183 178.444 176.094 0.278 0.000 1.082 30 V CA 1.829 64.264 62.300 0.224 0.000 1.105 30 V CB -1.018 30.784 31.823 -0.036 0.000 0.713 30 V HN 0.650 nan 8.190 nan 0.000 0.473 31 S N 0.522 116.330 115.700 0.180 0.000 2.447 31 S HA 0.088 4.555 4.470 -0.005 0.000 0.233 31 S C 1.537 176.345 174.600 0.345 0.000 1.006 31 S CA 1.281 59.635 58.200 0.256 0.000 0.957 31 S CB -0.670 62.645 63.200 0.191 0.000 0.773 31 S HN 0.599 nan 8.310 nan 0.000 0.507 32 L N 1.892 123.260 121.223 0.242 0.000 2.848 32 L HA 0.366 4.703 4.340 -0.005 0.000 0.240 32 L C 1.582 178.513 176.870 0.102 0.000 1.232 32 L CA -0.060 54.885 54.840 0.175 0.000 1.031 32 L CB 0.841 42.976 42.059 0.127 0.000 1.338 32 L HN 0.344 nan 8.230 nan 0.000 0.509 33 V N -1.699 118.278 119.914 0.104 0.000 3.471 33 V HA 0.146 4.263 4.120 -0.005 0.000 0.258 33 V C 0.435 176.430 176.094 -0.165 0.000 1.192 33 V CA 0.593 62.830 62.300 -0.106 0.000 1.116 33 V CB 0.372 31.991 31.823 -0.339 0.000 0.792 33 V HN 0.594 nan 8.190 nan 0.000 0.459 34 C N -2.741 116.561 119.300 0.003 0.000 2.969 34 C HA 0.314 4.771 4.460 -0.005 0.000 0.338 34 C C 0.912 176.008 174.990 0.176 0.000 1.217 34 C CA -0.566 58.468 59.018 0.026 0.000 1.146 34 C CB 0.743 28.438 27.740 -0.075 0.000 1.366 34 C HN 0.176 nan 8.230 nan 0.000 0.488 35 K N 0.791 121.269 120.400 0.130 0.000 2.160 35 K HA -0.149 4.167 4.320 -0.005 0.000 0.206 35 K C 2.127 178.900 176.600 0.287 0.000 1.047 35 K CA 2.049 58.431 56.287 0.159 0.000 0.930 35 K CB -0.229 32.319 32.500 0.079 0.000 0.720 35 K HN 0.761 nan 8.250 nan 0.000 0.450 36 S N -0.461 115.418 115.700 0.298 0.000 2.362 36 S HA -0.102 4.365 4.470 -0.005 0.000 0.221 36 S C 1.585 176.485 174.600 0.501 0.000 1.032 36 S CA 0.523 58.937 58.200 0.357 0.000 0.973 36 S CB -0.180 63.214 63.200 0.323 0.000 0.849 36 S HN 0.336 nan 8.310 nan 0.000 0.465 37 W N 1.331 122.786 121.300 0.259 0.000 2.321 37 W HA -0.097 4.559 4.660 -0.006 0.000 0.306 37 W C 2.223 178.968 176.519 0.376 0.000 1.217 37 W CA 0.842 58.412 57.345 0.375 0.000 1.257 37 W CB -1.518 28.165 29.460 0.371 0.000 1.145 37 W HN 0.531 nan 8.180 nan 0.000 0.509 38 Y N 1.401 121.951 120.300 0.418 0.000 2.315 38 Y HA -0.257 4.290 4.550 -0.005 0.000 0.288 38 Y C 2.125 178.184 175.900 0.265 0.000 1.154 38 Y CA 2.150 60.418 58.100 0.280 0.000 1.229 38 Y CB -0.173 38.400 38.460 0.188 0.000 0.980 38 Y HN -0.098 nan 8.280 nan 0.000 0.540 39 E N 0.036 120.488 120.200 0.419 0.000 2.075 39 E HA -0.061 4.286 4.350 -0.005 0.000 0.190 39 E C 2.384 179.218 176.600 0.391 0.000 0.969 39 E CA 1.052 57.678 56.400 0.378 0.000 0.815 39 E CB -0.396 29.546 29.700 0.403 0.000 0.776 39 E HN 0.542 nan 8.360 nan 0.000 0.457 40 I N 1.892 122.666 120.570 0.340 0.000 2.151 40 I HA -0.274 3.893 4.170 -0.005 0.000 0.243 40 I C 2.675 179.026 176.117 0.391 0.000 1.080 40 I CA 1.308 62.786 61.300 0.297 0.000 1.339 40 I CB -0.202 37.862 38.000 0.107 0.000 1.039 40 I HN 0.100 nan 8.210 nan 0.000 0.409 41 E N 1.868 122.321 120.200 0.422 0.000 2.077 41 E HA -0.256 4.090 4.350 -0.005 0.000 0.193 41 E C 2.267 178.977 176.600 0.182 0.000 0.989 41 E CA 1.713 58.264 56.400 0.251 0.000 0.800 41 E CB -0.045 29.686 29.700 0.052 0.000 0.746 41 E HN 0.583 nan 8.360 nan 0.000 0.452 42 R N -1.332 119.241 120.500 0.121 0.000 2.115 42 R HA -0.072 4.264 4.340 -0.005 0.000 0.226 42 R C 2.202 178.595 176.300 0.155 0.000 1.100 42 R CA 1.178 57.365 56.100 0.146 0.000 0.980 42 R CB -0.937 29.168 30.300 -0.326 0.000 0.875 42 R HN 0.132 nan 8.270 nan 0.000 0.445 43 W N 1.554 122.945 121.300 0.152 0.000 2.476 43 W HA -0.022 4.635 4.660 -0.005 0.000 0.281 43 W C 1.307 177.902 176.519 0.127 0.000 1.230 43 W CA 0.500 57.929 57.345 0.140 0.000 1.287 43 W CB 0.220 29.745 29.460 0.109 0.000 1.108 43 W HN 0.324 nan 8.180 nan 0.000 0.567 44 C N -0.040 119.447 119.300 0.312 0.000 2.469 44 C HA 0.507 4.964 4.460 -0.005 0.000 0.298 44 C C 0.460 175.499 174.990 0.082 0.000 1.436 44 C CA -0.910 58.220 59.018 0.188 0.000 1.783 44 C CB -1.715 26.122 27.740 0.161 0.000 2.726 44 C HN 0.087 nan 8.230 nan 0.000 0.541 45 R N 1.126 121.655 120.500 0.049 0.000 2.221 45 R HA 0.404 4.741 4.340 -0.005 0.000 0.327 45 R C 1.003 177.221 176.300 -0.138 0.000 1.033 45 R CA -0.364 55.665 56.100 -0.119 0.000 0.887 45 R CB 0.536 30.628 30.300 -0.347 0.000 1.057 45 R HN 0.593 nan 8.270 nan 0.000 0.455 46 R N 2.455 122.867 120.500 -0.146 0.000 2.090 46 R HA -0.002 4.335 4.340 -0.005 0.000 0.219 46 R C -0.033 176.165 176.300 -0.171 0.000 1.100 46 R CA 1.088 57.108 56.100 -0.134 0.000 0.991 46 R CB 0.177 30.410 30.300 -0.112 0.000 0.893 46 R HN 0.511 nan 8.270 nan 0.000 0.443 47 K N 0.445 120.730 120.400 -0.191 0.000 2.371 47 K HA 0.432 4.749 4.320 -0.005 0.000 0.251 47 K C -0.778 175.704 176.600 -0.197 0.000 0.934 47 K CA -0.963 55.223 56.287 -0.168 0.000 0.798 47 K CB 2.443 34.873 32.500 -0.116 0.000 1.204 47 K HN -0.130 nan 8.250 nan 0.000 0.427 48 V N -0.030 119.807 119.914 -0.129 0.000 2.448 48 V HA 0.570 4.686 4.120 -0.005 0.000 0.295 48 V C -0.955 175.166 176.094 0.045 0.000 1.025 48 V CA -0.864 61.390 62.300 -0.076 0.000 0.859 48 V CB 0.837 32.640 31.823 -0.034 0.000 0.988 48 V HN 0.792 nan 8.190 nan 0.000 0.431 49 F N 6.127 126.023 119.950 -0.090 0.000 2.391 49 F HA 0.710 5.234 4.527 -0.005 0.000 0.359 49 F C -0.275 175.494 175.800 -0.051 0.000 1.122 49 F CA -1.597 56.361 58.000 -0.071 0.000 1.120 49 F CB 0.938 39.906 39.000 -0.053 0.000 1.142 49 F HN 0.513 nan 8.300 nan 0.000 0.483 50 I N 6.617 126.906 120.570 -0.469 0.000 2.460 50 I HA 0.223 4.390 4.170 -0.005 0.000 0.277 50 I C 1.270 176.942 176.117 -0.741 0.000 1.057 50 I CA -0.252 60.734 61.300 -0.524 0.000 1.179 50 I CB 1.221 39.004 38.000 -0.362 0.000 1.329 50 I HN 0.874 nan 8.210 nan 0.000 0.478 51 G N 4.298 112.468 108.800 -1.048 0.000 2.498 51 G HA2 -0.196 3.761 3.960 -0.005 0.000 0.219 51 G HA3 -0.196 3.761 3.960 -0.005 0.000 0.219 51 G C 0.596 175.324 174.900 -0.286 0.000 1.119 51 G CA 0.546 45.181 45.100 -0.774 0.000 0.766 51 G HN 0.535 nan 8.290 nan 0.000 0.552 52 N N -1.042 117.529 118.700 -0.215 0.000 2.572 52 N HA 0.065 4.802 4.740 -0.005 0.000 0.287 52 N C 0.629 176.087 175.510 -0.086 0.000 1.136 52 N CA -0.369 52.630 53.050 -0.086 0.000 0.900 52 N CB 0.584 39.069 38.487 -0.003 0.000 1.484 52 N HN 0.016 nan 8.380 nan 0.000 0.526 53 C N 2.063 121.266 119.300 -0.162 0.000 2.576 53 C HA 0.314 4.771 4.460 -0.005 0.000 0.267 53 C C 1.188 176.193 174.990 0.025 0.000 1.364 53 C CA -0.347 58.581 59.018 -0.150 0.000 1.723 53 C CB -2.072 25.455 27.740 -0.355 0.000 1.778 53 C HN 0.710 nan 8.230 nan 0.000 0.572 54 Y N 0.476 120.879 120.300 0.170 0.000 2.457 54 Y HA 0.350 4.897 4.550 -0.005 0.000 0.263 54 Y C 2.529 178.595 175.900 0.275 0.000 1.164 54 Y CA 0.221 58.452 58.100 0.219 0.000 1.274 54 Y CB 0.031 38.575 38.460 0.140 0.000 1.097 54 Y HN 0.322 nan 8.280 nan 0.000 0.523 55 A N -0.065 122.949 122.820 0.323 0.000 2.209 55 A HA 0.224 4.541 4.320 -0.005 0.000 0.212 55 A C 0.577 178.303 177.584 0.237 0.000 1.158 55 A CA 1.079 53.280 52.037 0.273 0.000 0.742 55 A CB -0.164 18.943 19.000 0.178 0.000 0.790 55 A HN 0.173 nan 8.150 nan 0.000 0.472 56 V N -1.504 118.574 119.914 0.274 0.000 3.307 56 V HA 0.483 4.600 4.120 -0.005 0.000 0.283 56 V C -1.151 175.094 176.094 0.251 0.000 1.618 56 V CA -0.126 62.315 62.300 0.235 0.000 1.052 56 V CB 1.964 33.926 31.823 0.232 0.000 1.200 56 V HN 0.672 nan 8.190 nan 0.000 0.468 57 S N 3.105 118.877 115.700 0.118 0.000 2.578 57 S HA 0.729 5.195 4.470 -0.005 0.000 0.301 57 S C -2.227 172.182 174.600 -0.317 0.000 1.091 57 S CA -1.089 57.067 58.200 -0.074 0.000 1.032 57 S CB 1.823 64.998 63.200 -0.043 0.000 1.064 57 S HN 0.597 nan 8.310 nan 0.000 0.508 58 P HA -0.163 nan 4.420 nan 0.000 0.215 58 P C 1.678 178.777 177.300 -0.334 0.000 1.163 58 P CA 2.395 64.961 63.100 -0.889 0.000 0.894 58 P CB -0.281 30.855 31.700 -0.940 0.000 0.791 59 A N -1.204 121.453 122.820 -0.271 0.000 1.940 59 A HA -0.227 4.090 4.320 -0.005 0.000 0.219 59 A C 2.286 179.810 177.584 -0.099 0.000 1.176 59 A CA 2.604 54.542 52.037 -0.165 0.000 0.631 59 A CB -1.947 16.970 19.000 -0.139 0.000 0.814 59 A HN 0.195 nan 8.150 nan 0.000 0.446 60 T N -0.405 114.111 114.554 -0.064 0.000 2.746 60 T HA -0.115 4.232 4.350 -0.005 0.000 0.267 60 T C 1.904 176.599 174.700 -0.008 0.000 1.039 60 T CA 1.622 63.710 62.100 -0.021 0.000 1.142 60 T CB -0.426 68.456 68.868 0.023 0.000 0.866 60 T HN 0.197 nan 8.240 nan 0.000 0.444 61 V N 1.235 121.185 119.914 0.061 0.000 2.237 61 V HA -0.124 3.993 4.120 -0.005 0.000 0.245 61 V C 2.372 178.549 176.094 0.138 0.000 1.046 61 V CA 1.512 63.923 62.300 0.185 0.000 1.007 61 V CB -0.649 31.401 31.823 0.379 0.000 0.638 61 V HN 0.412 nan 8.190 nan 0.000 0.445 62 I N 0.642 121.229 120.570 0.028 0.000 2.315 62 I HA -0.294 3.873 4.170 -0.005 0.000 0.251 62 I C 2.692 178.772 176.117 -0.063 0.000 1.125 62 I CA 2.063 63.315 61.300 -0.081 0.000 1.392 62 I CB -0.401 37.420 38.000 -0.298 0.000 1.065 62 I HN 0.408 nan 8.210 nan 0.000 0.424 63 R N 0.480 120.925 120.500 -0.091 0.000 2.161 63 R HA -0.040 4.296 4.340 -0.005 0.000 0.213 63 R C 2.301 178.463 176.300 -0.230 0.000 1.055 63 R CA 0.652 56.674 56.100 -0.130 0.000 0.996 63 R CB -0.499 29.746 30.300 -0.093 0.000 0.901 63 R HN 0.225 nan 8.270 nan 0.000 0.456 64 R N 0.309 120.635 120.500 -0.290 0.000 2.148 64 R HA 0.042 4.379 4.340 -0.005 0.000 0.223 64 R C -0.349 175.463 176.300 -0.814 0.000 1.088 64 R CA 0.949 56.675 56.100 -0.624 0.000 0.985 64 R CB 0.181 29.936 30.300 -0.909 0.000 0.880 64 R HN 0.225 nan 8.270 nan 0.000 0.451 65 F N -0.388 119.477 119.950 -0.141 0.000 2.809 65 F HA 0.333 4.856 4.527 -0.005 0.000 0.369 65 F C -1.950 173.843 175.800 -0.012 0.000 1.225 65 F CA -2.199 55.729 58.000 -0.119 0.000 1.201 65 F CB 2.141 41.132 39.000 -0.015 0.000 1.527 65 F HN -0.060 nan 8.300 nan 0.000 0.565 66 P HA -0.050 nan 4.420 nan 0.000 0.219 66 P C 0.364 177.833 177.300 0.282 0.000 1.154 66 P CA 1.108 64.227 63.100 0.031 0.000 0.826 66 P CB 0.275 31.694 31.700 -0.468 0.000 0.795 67 K N -0.151 120.375 120.400 0.211 0.000 2.994 67 K HA 0.240 4.557 4.320 -0.005 0.000 0.231 67 K C -0.549 176.077 176.600 0.043 0.000 1.174 67 K CA -0.277 56.150 56.287 0.234 0.000 1.221 67 K CB -0.012 32.696 32.500 0.345 0.000 1.166 67 K HN -0.078 nan 8.250 nan 0.000 0.453 68 V N 1.220 121.014 119.914 -0.199 0.000 2.508 68 V HA 0.076 4.192 4.120 -0.005 0.000 0.281 68 V C 1.108 176.948 176.094 -0.423 0.000 1.041 68 V CA 0.096 62.156 62.300 -0.400 0.000 1.016 68 V CB 1.214 32.716 31.823 -0.535 0.000 0.984 68 V HN 0.365 nan 8.190 nan 0.000 0.478 69 R N 2.319 122.686 120.500 -0.222 0.000 2.290 69 R HA 0.227 4.564 4.340 -0.005 0.000 0.197 69 R C 0.405 176.619 176.300 -0.144 0.000 0.913 69 R CA 0.310 56.325 56.100 -0.142 0.000 1.040 69 R CB 0.544 30.792 30.300 -0.087 0.000 0.992 69 R HN 0.613 nan 8.270 nan 0.000 0.500 70 S N -0.301 115.299 115.700 -0.165 0.000 2.668 70 S HA 0.496 4.962 4.470 -0.005 0.000 0.277 70 S C -1.588 172.956 174.600 -0.094 0.000 1.170 70 S CA -0.648 57.486 58.200 -0.109 0.000 0.994 70 S CB 1.322 64.465 63.200 -0.095 0.000 1.051 70 S HN -0.129 nan 8.310 nan 0.000 0.484 71 V N 4.623 124.502 119.914 -0.058 0.000 2.483 71 V HA 0.563 4.679 4.120 -0.005 0.000 0.297 71 V C -0.254 175.820 176.094 -0.034 0.000 1.027 71 V CA -0.623 61.654 62.300 -0.038 0.000 0.855 71 V CB 1.637 33.456 31.823 -0.006 0.000 0.995 71 V HN 0.883 nan 8.190 nan 0.000 0.424 72 E N 4.674 124.863 120.200 -0.017 0.000 2.187 72 E HA 0.741 5.088 4.350 -0.005 0.000 0.268 72 E C -1.772 174.781 176.600 -0.079 0.000 0.896 72 E CA -0.577 55.829 56.400 0.010 0.000 0.766 72 E CB 1.801 31.593 29.700 0.154 0.000 1.142 72 E HN 0.611 nan 8.360 nan 0.000 0.408 73 L N 4.084 125.213 121.223 -0.156 0.000 2.408 73 L HA 0.511 4.848 4.340 -0.005 0.000 0.268 73 L C -0.844 175.904 176.870 -0.203 0.000 0.986 73 L CA -0.753 53.901 54.840 -0.311 0.000 0.820 73 L CB 2.015 43.765 42.059 -0.515 0.000 1.303 73 L HN 0.465 nan 8.230 nan 0.000 0.411 74 K N 1.474 121.753 120.400 -0.202 0.000 2.259 74 K HA 0.630 4.947 4.320 -0.005 0.000 0.252 74 K C 0.094 176.626 176.600 -0.113 0.000 0.936 74 K CA -0.643 55.581 56.287 -0.104 0.000 0.810 74 K CB 2.563 35.044 32.500 -0.031 0.000 1.143 74 K HN 0.690 nan 8.250 nan 0.000 0.427 75 G N 1.984 110.749 108.800 -0.059 0.000 3.223 75 G HA2 0.107 4.064 3.960 -0.005 0.000 0.198 75 G HA3 0.107 4.064 3.960 -0.005 0.000 0.198 75 G C -0.511 174.428 174.900 0.065 0.000 1.980 75 G CA -0.445 44.651 45.100 -0.007 0.000 0.828 75 G HN 0.444 nan 8.290 nan 0.000 0.680 76 K N 2.044 122.464 120.400 0.033 0.000 2.518 76 K HA 0.143 4.459 4.320 -0.005 0.000 0.276 76 K C -2.188 174.232 176.600 -0.300 0.000 0.974 76 K CA -0.791 55.351 56.287 -0.242 0.000 0.986 76 K CB 0.350 32.681 32.500 -0.281 0.000 0.901 76 K HN 0.221 nan 8.250 nan 0.000 0.497 77 P HA -0.086 nan 4.420 nan 0.000 0.274 77 P C 0.356 177.494 177.300 -0.270 0.000 1.246 77 P CA -0.021 62.870 63.100 -0.349 0.000 0.795 77 P CB 0.439 31.796 31.700 -0.570 0.000 1.006 78 H N 0.462 119.435 119.070 -0.160 0.000 2.431 78 H HA -0.167 4.386 4.556 -0.005 0.000 0.297 78 H C 0.644 175.916 175.328 -0.093 0.000 1.115 78 H CA 1.370 57.372 56.048 -0.077 0.000 1.277 78 H CB -0.056 29.755 29.762 0.081 0.000 1.372 78 H HN 0.197 nan 8.280 nan 0.000 0.516 79 F N 0.631 120.148 119.950 -0.720 0.000 2.816 79 F HA 0.150 4.673 4.527 -0.006 0.000 0.302 79 F C 2.329 177.652 175.800 -0.795 0.000 1.178 79 F CA 0.463 58.007 58.000 -0.761 0.000 1.421 79 F CB -0.623 37.793 39.000 -0.973 0.000 1.114 79 F HN 0.251 nan 8.300 nan 0.000 0.573 80 A N -0.354 122.120 122.820 -0.577 0.000 1.969 80 A HA -0.143 4.174 4.320 -0.005 0.000 0.218 80 A C 1.980 179.306 177.584 -0.430 0.000 1.169 80 A CA 1.562 53.313 52.037 -0.477 0.000 0.635 80 A CB -0.455 18.308 19.000 -0.395 0.000 0.810 80 A HN 0.185 nan 8.150 nan 0.000 0.445 81 D N -0.455 119.594 120.400 -0.586 0.000 2.263 81 D HA -0.096 4.540 4.640 -0.005 0.000 0.208 81 D C 0.319 176.155 176.300 -0.773 0.000 0.971 81 D CA 0.907 54.500 54.000 -0.677 0.000 0.867 81 D CB -0.340 39.970 40.800 -0.817 0.000 0.929 81 D HN 0.521 nan 8.370 nan 0.000 0.492 82 F N 0.164 119.924 119.950 -0.317 0.000 2.798 82 F HA 0.196 4.720 4.527 -0.006 0.000 0.291 82 F C 0.735 176.405 175.800 -0.217 0.000 1.174 82 F CA -0.815 57.011 58.000 -0.291 0.000 1.392 82 F CB -1.092 37.618 39.000 -0.482 0.000 0.966 82 F HN -0.248 nan 8.300 nan 0.000 0.509 83 N N 0.795 119.422 118.700 -0.121 0.000 2.710 83 N HA -0.234 4.503 4.740 -0.005 0.000 0.249 83 N C 0.295 175.753 175.510 -0.087 0.000 1.059 83 N CA 0.568 53.562 53.050 -0.094 0.000 0.720 83 N CB -1.102 37.361 38.487 -0.040 0.000 0.983 83 N HN 0.474 nan 8.380 nan 0.000 0.544 84 L N -1.749 119.378 121.223 -0.159 0.000 2.693 84 L HA 0.267 4.604 4.340 -0.005 0.000 0.235 84 L C -0.026 176.738 176.870 -0.177 0.000 1.127 84 L CA -0.035 54.734 54.840 -0.118 0.000 0.914 84 L CB 0.552 42.544 42.059 -0.112 0.000 1.193 84 L HN -0.033 nan 8.230 nan 0.000 0.502 85 V N 1.145 120.904 119.914 -0.259 0.000 2.349 85 V HA 0.346 4.463 4.120 -0.005 0.000 0.284 85 V C -2.111 173.977 176.094 -0.010 0.000 1.014 85 V CA -1.463 60.717 62.300 -0.200 0.000 0.826 85 V CB 1.247 32.755 31.823 -0.525 0.000 1.009 85 V HN 0.008 nan 8.190 nan 0.000 0.431 86 P HA 0.190 nan 4.420 nan 0.000 0.272 86 P C -0.609 176.809 177.300 0.196 0.000 1.240 86 P CA -0.367 62.759 63.100 0.042 0.000 0.791 86 P CB 0.500 32.069 31.700 -0.218 0.000 0.978 87 D N 0.341 120.824 120.400 0.138 0.000 2.382 87 D HA 0.316 4.953 4.640 -0.005 0.000 0.245 87 D C 1.465 177.961 176.300 0.326 0.000 1.120 87 D CA 0.600 54.714 54.000 0.189 0.000 0.890 87 D CB 0.542 41.409 40.800 0.111 0.000 1.201 87 D HN 0.687 nan 8.370 nan 0.000 0.433 88 G N 1.770 110.758 108.800 0.313 0.000 2.254 88 G HA2 -0.314 3.642 3.960 -0.005 0.000 0.225 88 G HA3 -0.314 3.642 3.960 -0.005 0.000 0.225 88 G C 0.870 175.944 174.900 0.289 0.000 1.003 88 G CA 0.285 45.585 45.100 0.334 0.000 0.622 88 G HN 0.589 nan 8.290 nan 0.000 0.507 89 W N 1.760 123.203 121.300 0.238 0.000 2.305 89 W HA 0.242 4.899 4.660 -0.005 0.000 0.308 89 W C 1.477 178.043 176.519 0.079 0.000 1.226 89 W CA 3.996 61.450 57.345 0.182 0.000 1.253 89 W CB -0.034 29.572 29.460 0.244 0.000 1.146 89 W HN 1.271 nan 8.180 nan 0.000 0.507 90 G N -3.683 105.129 108.800 0.019 0.000 2.350 90 G HA2 0.394 4.351 3.960 -0.005 0.000 0.276 90 G HA3 0.394 4.351 3.960 -0.005 0.000 0.276 90 G C 0.332 175.195 174.900 -0.063 0.000 1.313 90 G CA 0.129 45.093 45.100 -0.227 0.000 0.903 90 G HN 0.983 nan 8.290 nan 0.000 0.490 91 G N -2.052 106.801 108.800 0.090 0.000 2.231 91 G HA2 -0.117 3.839 3.960 -0.005 0.000 0.206 91 G HA3 -0.117 3.839 3.960 -0.005 0.000 0.206 91 G C 0.455 175.340 174.900 -0.024 0.000 0.996 91 G CA 0.403 45.521 45.100 0.030 0.000 0.645 91 G HN 1.344 nan 8.290 nan 0.000 0.498 92 Y N 0.118 120.554 120.300 0.227 0.000 2.721 92 Y HA 0.260 4.806 4.550 -0.005 0.000 0.329 92 Y C 1.608 177.656 175.900 0.247 0.000 1.211 92 Y CA 0.827 59.057 58.100 0.218 0.000 1.512 92 Y CB 1.418 40.007 38.460 0.215 0.000 1.249 92 Y HN 0.036 nan 8.280 nan 0.000 0.549 93 V N 5.205 125.355 119.914 0.393 0.000 3.471 93 V HA -0.148 3.969 4.120 -0.005 0.000 0.258 93 V C 1.563 177.891 176.094 0.389 0.000 1.192 93 V CA 0.571 63.081 62.300 0.351 0.000 1.116 93 V CB -0.681 31.257 31.823 0.193 0.000 0.792 93 V HN 0.916 nan 8.190 nan 0.000 0.459 94 Y N 2.678 123.118 120.300 0.233 0.000 2.069 94 Y HA -0.189 4.357 4.550 -0.006 0.000 0.278 94 Y C -0.180 175.794 175.900 0.124 0.000 1.175 94 Y CA 2.930 61.118 58.100 0.146 0.000 1.134 94 Y CB -1.737 36.772 38.460 0.083 0.000 0.965 94 Y HN 0.331 nan 8.280 nan 0.000 0.498 95 P HA -0.234 nan 4.420 nan 0.000 0.216 95 P C 1.064 178.249 177.300 -0.191 0.000 1.154 95 P CA 2.616 65.669 63.100 -0.078 0.000 0.865 95 P CB -0.384 31.290 31.700 -0.043 0.000 0.789 96 W N -0.863 120.416 121.300 -0.035 0.000 2.355 96 W HA -0.148 4.509 4.660 -0.005 0.000 0.309 96 W C 2.189 178.671 176.519 -0.061 0.000 1.206 96 W CA 0.491 57.817 57.345 -0.032 0.000 1.284 96 W CB -0.897 28.565 29.460 0.003 0.000 1.145 96 W HN -0.132 nan 8.180 nan 0.000 0.502 97 I N 0.249 120.886 120.570 0.111 0.000 2.142 97 I HA -0.250 3.917 4.170 -0.005 0.000 0.240 97 I C 2.175 178.212 176.117 -0.134 0.000 1.078 97 I CA 1.572 62.884 61.300 0.020 0.000 1.343 97 I CB -1.817 36.159 38.000 -0.041 0.000 1.046 97 I HN 0.145 nan 8.210 nan 0.000 0.405 98 E N 0.754 120.698 120.200 -0.426 0.000 2.086 98 E HA -0.279 4.067 4.350 -0.005 0.000 0.200 98 E C 2.247 178.711 176.600 -0.227 0.000 1.012 98 E CA 1.953 58.104 56.400 -0.415 0.000 0.812 98 E CB -0.027 29.364 29.700 -0.515 0.000 0.743 98 E HN 0.515 nan 8.360 nan 0.000 0.453 99 A N 0.828 123.526 122.820 -0.204 0.000 1.841 99 A HA -0.188 4.129 4.320 -0.005 0.000 0.214 99 A C 2.171 179.666 177.584 -0.150 0.000 1.195 99 A CA 1.693 53.614 52.037 -0.192 0.000 0.611 99 A CB -0.577 18.269 19.000 -0.256 0.000 0.835 99 A HN 0.173 nan 8.150 nan 0.000 0.443 100 M N 0.719 120.285 119.600 -0.057 0.000 2.213 100 M HA -0.161 4.316 4.480 -0.005 0.000 0.263 100 M C 2.415 178.855 176.300 0.233 0.000 1.062 100 M CA 1.577 56.887 55.300 0.016 0.000 1.105 100 M CB -0.486 32.300 32.600 0.310 0.000 1.385 100 M HN 0.684 nan 8.290 nan 0.000 0.417 101 S N 0.495 116.283 115.700 0.145 0.000 2.372 101 S HA -0.197 4.269 4.470 -0.005 0.000 0.227 101 S C 1.814 176.325 174.600 -0.148 0.000 1.044 101 S CA 2.060 60.188 58.200 -0.121 0.000 1.050 101 S CB -0.638 62.430 63.200 -0.221 0.000 0.901 101 S HN 0.569 nan 8.310 nan 0.000 0.447 102 S N 0.466 116.105 115.700 -0.102 0.000 2.478 102 S HA 0.232 4.699 4.470 -0.005 0.000 0.222 102 S C 1.908 176.474 174.600 -0.056 0.000 1.008 102 S CA 0.488 58.632 58.200 -0.092 0.000 0.928 102 S CB -0.159 62.982 63.200 -0.099 0.000 0.781 102 S HN 0.530 nan 8.310 nan 0.000 0.518 103 S N 0.032 115.691 115.700 -0.068 0.000 2.475 103 S HA 0.249 4.715 4.470 -0.005 0.000 0.224 103 S C 0.190 174.861 174.600 0.118 0.000 1.042 103 S CA -0.067 58.086 58.200 -0.078 0.000 0.935 103 S CB -0.182 62.847 63.200 -0.284 0.000 0.801 103 S HN 0.601 nan 8.310 nan 0.000 0.509 104 Y N 2.212 122.631 120.300 0.197 0.000 2.827 104 Y HA 0.180 4.727 4.550 -0.005 0.000 0.373 104 Y C 1.589 177.720 175.900 0.386 0.000 1.198 104 Y CA -0.802 57.458 58.100 0.266 0.000 1.589 104 Y CB -0.064 38.536 38.460 0.233 0.000 1.682 104 Y HN 0.117 nan 8.280 nan 0.000 0.506 105 T N 0.107 114.866 114.554 0.342 0.000 2.665 105 T HA -0.227 4.120 4.350 -0.005 0.000 0.268 105 T C 1.026 175.953 174.700 0.379 0.000 1.035 105 T CA 1.468 63.697 62.100 0.216 0.000 1.151 105 T CB -0.086 68.717 68.868 -0.108 0.000 0.862 105 T HN 0.557 nan 8.240 nan 0.000 0.438 106 W N 1.921 123.363 121.300 0.237 0.000 3.468 106 W HA 0.423 5.080 4.660 -0.005 0.000 0.352 106 W C 0.046 176.633 176.519 0.113 0.000 1.212 106 W CA -1.549 55.895 57.345 0.164 0.000 1.770 106 W CB -1.563 27.963 29.460 0.109 0.000 1.005 106 W HN 0.160 nan 8.180 nan 0.000 0.766 107 L N 0.792 122.208 121.223 0.321 0.000 2.410 107 L HA 0.061 4.398 4.340 -0.005 0.000 0.273 107 L C 1.144 178.082 176.870 0.114 0.000 1.152 107 L CA 1.055 55.907 54.840 0.020 0.000 0.855 107 L CB 0.797 42.596 42.059 -0.434 0.000 1.129 107 L HN 0.007 nan 8.230 nan 0.000 0.463 108 E N 2.426 122.664 120.200 0.064 0.000 2.256 108 E HA 0.108 4.455 4.350 -0.005 0.000 0.198 108 E C -0.549 176.041 176.600 -0.017 0.000 0.908 108 E CA 0.294 56.734 56.400 0.066 0.000 0.915 108 E CB 0.461 30.149 29.700 -0.020 0.000 0.890 108 E HN 0.766 nan 8.360 nan 0.000 0.484 109 E N 0.819 121.023 120.200 0.006 0.000 2.317 109 E HA 0.549 4.896 4.350 -0.005 0.000 0.270 109 E C -0.777 175.903 176.600 0.133 0.000 0.885 109 E CA -0.592 55.813 56.400 0.009 0.000 0.760 109 E CB 2.396 32.039 29.700 -0.095 0.000 1.227 109 E HN -0.044 nan 8.360 nan 0.000 0.434 110 I N 1.927 122.629 120.570 0.218 0.000 2.503 110 I HA 0.308 4.475 4.170 -0.005 0.000 0.282 110 I C -0.966 175.199 176.117 0.080 0.000 1.059 110 I CA -0.785 60.591 61.300 0.127 0.000 1.081 110 I CB 1.565 39.654 38.000 0.148 0.000 1.210 110 I HN 0.286 nan 8.210 nan 0.000 0.450 111 R N 6.396 126.910 120.500 0.023 0.000 2.246 111 R HA 0.687 5.024 4.340 -0.005 0.000 0.332 111 R C -1.156 175.143 176.300 -0.003 0.000 0.974 111 R CA -0.208 55.900 56.100 0.012 0.000 0.837 111 R CB 1.084 31.390 30.300 0.009 0.000 1.145 111 R HN 0.508 nan 8.270 nan 0.000 0.467 112 L N 2.092 123.311 121.223 -0.006 0.000 2.346 112 L HA 0.598 4.935 4.340 -0.005 0.000 0.274 112 L C -0.209 176.660 176.870 -0.002 0.000 1.007 112 L CA -0.892 53.932 54.840 -0.027 0.000 0.818 112 L CB 2.003 44.041 42.059 -0.036 0.000 1.284 112 L HN 0.393 nan 8.230 nan 0.000 0.424 113 K N 2.367 122.762 120.400 -0.009 0.000 2.397 113 K HA 0.469 4.786 4.320 -0.005 0.000 0.253 113 K C -0.655 175.946 176.600 0.003 0.000 0.932 113 K CA -0.701 55.594 56.287 0.013 0.000 0.795 113 K CB 1.217 33.737 32.500 0.033 0.000 1.159 113 K HN 0.472 nan 8.250 nan 0.000 0.424 114 R N 3.245 123.753 120.500 0.013 0.000 3.092 114 R HA -0.181 4.155 4.340 -0.005 0.000 0.245 114 R C -0.502 175.806 176.300 0.012 0.000 0.881 114 R CA 0.763 56.865 56.100 0.003 0.000 0.614 114 R CB -1.308 28.974 30.300 -0.029 0.000 1.128 114 R HN 0.545 nan 8.270 nan 0.000 0.483 115 M N -0.053 119.567 119.600 0.034 0.000 2.716 115 M HA 0.411 4.888 4.480 -0.005 0.000 0.307 115 M C 0.209 176.557 176.300 0.080 0.000 1.223 115 M CA -1.109 54.215 55.300 0.040 0.000 0.871 115 M CB 2.104 34.720 32.600 0.026 0.000 1.739 115 M HN -0.118 nan 8.290 nan 0.000 0.475 116 V N 2.108 122.070 119.914 0.080 0.000 2.465 116 V HA 0.489 4.606 4.120 -0.005 0.000 0.279 116 V C -0.326 175.907 176.094 0.232 0.000 1.045 116 V CA -0.492 61.901 62.300 0.154 0.000 0.938 116 V CB 1.558 33.453 31.823 0.119 0.000 0.986 116 V HN 0.613 nan 8.190 nan 0.000 0.467 117 V N 4.106 124.186 119.914 0.277 0.000 2.638 117 V HA 0.649 4.765 4.120 -0.005 0.000 0.306 117 V C 0.067 176.350 176.094 0.315 0.000 1.052 117 V CA -0.520 61.923 62.300 0.239 0.000 0.885 117 V CB 2.374 34.243 31.823 0.078 0.000 0.999 117 V HN 0.991 nan 8.190 nan 0.000 0.424 118 T N -1.088 113.598 114.554 0.220 0.000 2.940 118 T HA 0.415 4.762 4.350 -0.005 0.000 0.288 118 T C 0.453 175.243 174.700 0.150 0.000 1.045 118 T CA -0.670 61.542 62.100 0.188 0.000 1.018 118 T CB 1.818 70.742 68.868 0.093 0.000 1.151 118 T HN 0.451 nan 8.240 nan 0.000 0.529 119 D N 0.504 120.977 120.400 0.123 0.000 2.149 119 D HA -0.099 4.538 4.640 -0.005 0.000 0.198 119 D C 1.492 177.822 176.300 0.049 0.000 0.990 119 D CA 1.137 55.183 54.000 0.077 0.000 0.839 119 D CB -0.281 40.548 40.800 0.048 0.000 0.948 119 D HN 0.565 nan 8.370 nan 0.000 0.460 120 D N -0.109 120.314 120.400 0.039 0.000 2.116 120 D HA -0.139 4.498 4.640 -0.005 0.000 0.193 120 D C 2.172 178.566 176.300 0.156 0.000 0.998 120 D CA 0.760 54.788 54.000 0.046 0.000 0.836 120 D CB -0.503 40.250 40.800 -0.078 0.000 0.951 120 D HN 0.228 nan 8.370 nan 0.000 0.449 121 C N 0.089 119.511 119.300 0.203 0.000 2.413 121 C HA -0.081 4.376 4.460 -0.005 0.000 0.277 121 C C 2.863 177.902 174.990 0.080 0.000 1.265 121 C CA 0.261 59.418 59.018 0.231 0.000 1.752 121 C CB -1.108 26.754 27.740 0.203 0.000 1.998 121 C HN 0.348 nan 8.230 nan 0.000 0.489 122 L N 0.139 121.377 121.223 0.025 0.000 2.095 122 L HA -0.063 4.274 4.340 -0.005 0.000 0.204 122 L C 2.567 179.422 176.870 -0.025 0.000 1.080 122 L CA 1.256 56.073 54.840 -0.039 0.000 0.759 122 L CB -0.704 41.309 42.059 -0.077 0.000 0.914 122 L HN 0.233 nan 8.230 nan 0.000 0.439 123 E N 0.342 120.542 120.200 0.000 0.000 2.147 123 E HA -0.274 4.073 4.350 -0.005 0.000 0.199 123 E C 2.217 178.806 176.600 -0.018 0.000 1.005 123 E CA 1.390 57.788 56.400 -0.004 0.000 0.810 123 E CB -0.070 29.637 29.700 0.012 0.000 0.736 123 E HN 0.351 nan 8.360 nan 0.000 0.460 124 L N -0.179 121.043 121.223 -0.001 0.000 2.162 124 L HA -0.037 4.300 4.340 -0.005 0.000 0.205 124 L C 2.077 178.876 176.870 -0.118 0.000 1.086 124 L CA 0.493 55.308 54.840 -0.042 0.000 0.778 124 L CB -0.005 42.062 42.059 0.014 0.000 0.928 124 L HN 0.197 nan 8.230 nan 0.000 0.446 125 I N -0.050 120.485 120.570 -0.058 0.000 2.163 125 I HA -0.324 3.843 4.170 -0.005 0.000 0.243 125 I C 2.690 178.753 176.117 -0.090 0.000 1.085 125 I CA 1.442 62.724 61.300 -0.030 0.000 1.347 125 I CB -0.309 37.570 38.000 -0.201 0.000 1.044 125 I HN 0.264 nan 8.210 nan 0.000 0.408 126 A N 1.106 123.879 122.820 -0.078 0.000 1.898 126 A HA -0.231 4.085 4.320 -0.005 0.000 0.216 126 A C 2.288 179.852 177.584 -0.033 0.000 1.181 126 A CA 2.015 54.036 52.037 -0.026 0.000 0.620 126 A CB -0.485 18.505 19.000 -0.018 0.000 0.819 126 A HN 0.559 nan 8.150 nan 0.000 0.442 127 K N -1.108 119.243 120.400 -0.082 0.000 2.314 127 K HA 0.141 4.458 4.320 -0.005 0.000 0.198 127 K C 1.468 177.967 176.600 -0.168 0.000 1.045 127 K CA 1.273 57.506 56.287 -0.089 0.000 0.988 127 K CB -0.006 32.452 32.500 -0.071 0.000 0.783 127 K HN 0.259 nan 8.250 nan 0.000 0.484 128 S N 0.372 115.868 115.700 -0.341 0.000 2.439 128 S HA 0.177 4.644 4.470 -0.005 0.000 0.224 128 S C -0.013 174.214 174.600 -0.623 0.000 1.029 128 S CA -0.003 57.844 58.200 -0.589 0.000 0.946 128 S CB -0.069 62.517 63.200 -1.025 0.000 0.797 128 S HN 0.211 nan 8.310 nan 0.000 0.504 129 F N 2.035 121.976 119.950 -0.015 0.000 2.361 129 F HA 0.444 4.968 4.527 -0.005 0.000 0.364 129 F C 1.153 177.038 175.800 0.142 0.000 1.117 129 F CA -0.789 57.244 58.000 0.056 0.000 1.071 129 F CB 1.234 40.225 39.000 -0.015 0.000 1.188 129 F HN -0.165 nan 8.300 nan 0.000 0.464 130 K N 1.101 121.695 120.400 0.325 0.000 2.099 130 K HA 0.018 4.335 4.320 -0.005 0.000 0.203 130 K C 0.924 177.699 176.600 0.291 0.000 1.047 130 K CA 0.513 56.955 56.287 0.258 0.000 0.963 130 K CB 0.056 32.671 32.500 0.192 0.000 0.759 130 K HN 0.409 nan 8.250 nan 0.000 0.451 131 N N 1.101 119.997 118.700 0.327 0.000 2.617 131 N HA -0.069 4.667 4.740 -0.005 0.000 0.198 131 N C -0.253 175.419 175.510 0.268 0.000 1.317 131 N CA 0.251 53.456 53.050 0.260 0.000 0.892 131 N CB -0.475 38.147 38.487 0.224 0.000 1.041 131 N HN 0.031 nan 8.380 nan 0.000 0.450 132 F N 1.471 121.521 119.950 0.165 0.000 2.578 132 F HA 0.028 4.551 4.527 -0.005 0.000 0.376 132 F C 1.249 177.104 175.800 0.092 0.000 1.085 132 F CA 0.338 58.411 58.000 0.122 0.000 1.260 132 F CB 0.679 39.776 39.000 0.163 0.000 1.095 132 F HN -0.051 nan 8.300 nan 0.000 0.573 133 K N 3.007 122.973 120.400 -0.725 0.000 2.567 133 K HA 0.283 4.600 4.320 -0.005 0.000 0.218 133 K C -1.133 175.138 176.600 -0.550 0.000 1.440 133 K CA 0.069 56.086 56.287 -0.450 0.000 0.995 133 K CB 1.285 33.661 32.500 -0.206 0.000 1.186 133 K HN 0.277 nan 8.250 nan 0.000 0.593 134 V N 2.747 122.133 119.914 -0.880 0.000 2.532 134 V HA 0.311 4.428 4.120 -0.005 0.000 0.294 134 V C -1.666 174.179 176.094 -0.415 0.000 1.036 134 V CA -0.797 61.222 62.300 -0.468 0.000 0.876 134 V CB 1.813 33.485 31.823 -0.250 0.000 1.012 134 V HN 0.082 nan 8.190 nan 0.000 0.432 135 L N 6.893 128.014 121.223 -0.171 0.000 2.319 135 L HA 0.797 5.134 4.340 -0.005 0.000 0.281 135 L C -0.809 176.081 176.870 0.033 0.000 1.005 135 L CA -0.071 54.823 54.840 0.091 0.000 0.828 135 L CB 1.709 43.912 42.059 0.239 0.000 1.227 135 L HN 0.419 nan 8.230 nan 0.000 0.415 136 V N 6.717 126.648 119.914 0.029 0.000 2.487 136 V HA 0.462 4.578 4.120 -0.005 0.000 0.298 136 V C -0.251 175.851 176.094 0.012 0.000 1.028 136 V CA -0.441 61.868 62.300 0.016 0.000 0.860 136 V CB 1.833 33.663 31.823 0.011 0.000 0.991 136 V HN 0.578 nan 8.190 nan 0.000 0.427 137 L N 4.027 125.257 121.223 0.012 0.000 2.457 137 L HA 0.402 4.739 4.340 -0.005 0.000 0.252 137 L C 0.342 177.253 176.870 0.067 0.000 1.132 137 L CA -0.021 54.829 54.840 0.017 0.000 0.938 137 L CB 1.514 43.549 42.059 -0.039 0.000 1.246 137 L HN 0.639 nan 8.230 nan 0.000 0.476 138 S N 1.547 117.281 115.700 0.056 0.000 2.422 138 S HA 0.225 4.692 4.470 -0.005 0.000 0.283 138 S C 0.621 175.260 174.600 0.066 0.000 1.163 138 S CA -0.336 57.903 58.200 0.064 0.000 1.054 138 S CB 0.077 63.309 63.200 0.054 0.000 0.967 138 S HN 0.664 nan 8.310 nan 0.000 0.499 139 S N 2.676 118.421 115.700 0.075 0.000 3.386 139 S HA -0.146 4.321 4.470 -0.005 0.000 0.403 139 S C 0.333 174.975 174.600 0.071 0.000 0.893 139 S CA 0.239 58.474 58.200 0.059 0.000 1.336 139 S CB -2.785 60.431 63.200 0.026 0.000 0.925 139 S HN 0.757 nan 8.310 nan 0.000 0.589 140 C N 1.720 121.098 119.300 0.130 0.000 2.668 140 C HA 0.886 5.343 4.460 -0.005 0.000 0.355 140 C C 0.628 175.714 174.990 0.161 0.000 1.277 140 C CA -0.811 58.315 59.018 0.181 0.000 1.787 140 C CB 1.794 29.697 27.740 0.272 0.000 2.233 140 C HN 0.901 nan 8.230 nan 0.000 0.495 141 E N -1.061 119.235 120.200 0.159 0.000 2.456 141 E HA 0.589 4.936 4.350 -0.005 0.000 0.276 141 E C 0.207 176.859 176.600 0.087 0.000 0.981 141 E CA -0.170 56.238 56.400 0.012 0.000 0.814 141 E CB 0.983 30.676 29.700 -0.012 0.000 1.382 141 E HN 1.156 nan 8.360 nan 0.000 0.459 142 G N -0.014 108.742 108.800 -0.075 0.000 2.141 142 G HA2 -0.248 3.709 3.960 -0.005 0.000 0.242 142 G HA3 -0.248 3.709 3.960 -0.005 0.000 0.242 142 G C -0.221 174.749 174.900 0.117 0.000 0.982 142 G CA 0.571 45.693 45.100 0.037 0.000 0.662 142 G HN 0.410 nan 8.290 nan 0.000 0.527 143 F N 0.514 120.462 119.950 -0.004 0.000 2.557 143 F HA 0.917 5.441 4.527 -0.006 0.000 0.336 143 F C 0.407 176.174 175.800 -0.056 0.000 1.058 143 F CA -0.736 57.247 58.000 -0.029 0.000 0.988 143 F CB 1.313 40.291 39.000 -0.037 0.000 1.275 143 F HN 0.410 nan 8.300 nan 0.000 0.488 144 S N -1.507 114.213 115.700 0.034 0.000 2.810 144 S HA 0.368 4.835 4.470 -0.005 0.000 0.315 144 S C 0.695 175.277 174.600 -0.031 0.000 1.138 144 S CA -0.038 58.110 58.200 -0.086 0.000 0.889 144 S CB 0.851 64.013 63.200 -0.062 0.000 1.236 144 S HN 0.943 nan 8.310 nan 0.000 0.548 145 T N -1.252 113.248 114.554 -0.091 0.000 2.833 145 T HA -0.135 4.211 4.350 -0.005 0.000 0.269 145 T C 0.984 175.656 174.700 -0.047 0.000 1.054 145 T CA 1.661 63.677 62.100 -0.140 0.000 1.135 145 T CB -0.945 67.935 68.868 0.020 0.000 0.869 145 T HN 0.553 nan 8.240 nan 0.000 0.466 146 D N 1.935 122.323 120.400 -0.020 0.000 2.133 146 D HA -0.083 4.553 4.640 -0.005 0.000 0.195 146 D C 2.411 178.690 176.300 -0.034 0.000 0.997 146 D CA 1.600 55.582 54.000 -0.030 0.000 0.840 146 D CB -0.978 39.812 40.800 -0.015 0.000 0.947 146 D HN 0.599 nan 8.370 nan 0.000 0.452 147 G N 0.930 109.730 108.800 -0.000 0.000 2.446 147 G HA2 -0.210 3.747 3.960 -0.005 0.000 0.217 147 G HA3 -0.210 3.747 3.960 -0.005 0.000 0.217 147 G C 1.866 176.728 174.900 -0.063 0.000 1.168 147 G CA 0.467 45.571 45.100 0.007 0.000 0.771 147 G HN 0.260 nan 8.290 nan 0.000 0.551 148 L N 0.736 121.887 121.223 -0.121 0.000 2.046 148 L HA -0.037 4.299 4.340 -0.005 0.000 0.208 148 L C 3.442 180.276 176.870 -0.059 0.000 1.077 148 L CA 0.911 55.616 54.840 -0.225 0.000 0.747 148 L CB -0.600 41.036 42.059 -0.706 0.000 0.896 148 L HN 0.291 nan 8.230 nan 0.000 0.432 149 A N 0.555 123.368 122.820 -0.011 0.000 1.903 149 A HA -0.322 3.995 4.320 -0.005 0.000 0.219 149 A C 2.556 180.074 177.584 -0.111 0.000 1.191 149 A CA 2.361 54.333 52.037 -0.108 0.000 0.638 149 A CB -0.892 17.877 19.000 -0.385 0.000 0.823 149 A HN 0.442 nan 8.150 nan 0.000 0.451 150 A N -0.429 122.338 122.820 -0.089 0.000 1.902 150 A HA -0.069 4.248 4.320 -0.005 0.000 0.217 150 A C 2.063 179.604 177.584 -0.071 0.000 1.181 150 A CA 1.668 53.669 52.037 -0.061 0.000 0.623 150 A CB -0.463 18.511 19.000 -0.044 0.000 0.818 150 A HN 0.457 nan 8.150 nan 0.000 0.443 151 I N -0.206 120.311 120.570 -0.088 0.000 2.202 151 I HA -0.202 3.964 4.170 -0.005 0.000 0.242 151 I C 3.008 178.996 176.117 -0.215 0.000 1.091 151 I CA 1.365 62.615 61.300 -0.083 0.000 1.368 151 I CB -1.682 36.290 38.000 -0.046 0.000 1.058 151 I HN 0.364 nan 8.210 nan 0.000 0.410 152 A N 1.341 123.918 122.820 -0.404 0.000 1.873 152 A HA -0.246 4.071 4.320 -0.005 0.000 0.218 152 A C 2.615 179.898 177.584 -0.501 0.000 1.193 152 A CA 2.701 54.145 52.037 -0.988 0.000 0.629 152 A CB -1.070 17.341 19.000 -0.982 0.000 0.826 152 A HN 0.434 nan 8.150 nan 0.000 0.447 153 A N -1.603 121.098 122.820 -0.198 0.000 1.892 153 A HA -0.146 4.171 4.320 -0.005 0.000 0.218 153 A C 2.220 179.781 177.584 -0.039 0.000 1.188 153 A CA 2.709 54.716 52.037 -0.050 0.000 0.631 153 A CB -0.991 18.024 19.000 0.024 0.000 0.822 153 A HN 0.517 nan 8.150 nan 0.000 0.447 154 T N -2.687 111.839 114.554 -0.047 0.000 2.978 154 T HA 0.087 4.434 4.350 -0.005 0.000 0.248 154 T C 0.582 175.300 174.700 0.031 0.000 1.018 154 T CA 0.339 62.441 62.100 0.003 0.000 1.026 154 T CB -0.131 68.741 68.868 0.006 0.000 1.032 154 T HN 0.336 nan 8.240 nan 0.000 0.485 155 C N 4.714 124.024 119.300 0.017 0.000 2.400 155 C HA 0.267 4.724 4.460 -0.005 0.000 0.457 155 C C 2.296 177.337 174.990 0.084 0.000 1.020 155 C CA -1.079 57.996 59.018 0.096 0.000 1.258 155 C CB -1.823 26.015 27.740 0.163 0.000 1.532 155 C HN 0.559 nan 8.230 nan 0.000 0.537 156 R N 1.851 122.422 120.500 0.118 0.000 2.154 156 R HA -0.178 4.159 4.340 -0.005 0.000 0.248 156 R C 1.049 177.498 176.300 0.249 0.000 1.155 156 R CA 1.887 58.084 56.100 0.163 0.000 0.979 156 R CB -0.147 30.242 30.300 0.147 0.000 0.869 156 R HN 0.565 nan 8.270 nan 0.000 0.452 157 N N 0.486 119.317 118.700 0.219 0.000 2.214 157 N HA 0.046 4.783 4.740 -0.005 0.000 0.214 157 N C -0.509 175.132 175.510 0.219 0.000 1.132 157 N CA -0.304 52.877 53.050 0.218 0.000 0.856 157 N CB 0.346 38.924 38.487 0.151 0.000 1.020 157 N HN 0.110 nan 8.380 nan 0.000 0.509 158 L N 1.697 123.081 121.223 0.269 0.000 2.540 158 L HA -0.033 4.304 4.340 -0.005 0.000 0.276 158 L C 1.086 178.111 176.870 0.259 0.000 1.212 158 L CA 0.956 55.913 54.840 0.195 0.000 0.893 158 L CB 0.524 42.691 42.059 0.180 0.000 1.138 158 L HN -0.052 nan 8.230 nan 0.000 0.491 159 K N 2.850 123.294 120.400 0.073 0.000 2.365 159 K HA 0.258 4.575 4.320 -0.005 0.000 0.195 159 K C -0.374 176.246 176.600 0.033 0.000 1.079 159 K CA 0.278 56.591 56.287 0.043 0.000 0.979 159 K CB 0.524 33.011 32.500 -0.022 0.000 0.929 159 K HN 0.611 nan 8.250 nan 0.000 0.523 160 E N 1.224 121.424 120.200 0.001 0.000 2.260 160 E HA 0.229 4.576 4.350 -0.005 0.000 0.266 160 E C -1.803 174.818 176.600 0.036 0.000 0.887 160 E CA -0.668 55.738 56.400 0.011 0.000 0.777 160 E CB 2.263 31.942 29.700 -0.035 0.000 1.205 160 E HN -0.139 nan 8.360 nan 0.000 0.414 161 L N 3.477 124.761 121.223 0.102 0.000 2.345 161 L HA 0.427 4.764 4.340 -0.005 0.000 0.274 161 L C -1.423 175.507 176.870 0.100 0.000 0.999 161 L CA -0.320 54.591 54.840 0.120 0.000 0.849 161 L CB 1.098 43.292 42.059 0.225 0.000 1.220 161 L HN 0.349 nan 8.230 nan 0.000 0.422 162 D N 5.065 125.502 120.400 0.061 0.000 2.462 162 D HA 0.313 4.950 4.640 -0.005 0.000 0.245 162 D C -0.384 175.951 176.300 0.059 0.000 1.122 162 D CA -0.182 53.854 54.000 0.060 0.000 0.864 162 D CB 1.106 41.929 40.800 0.038 0.000 1.098 162 D HN 0.615 nan 8.370 nan 0.000 0.541 163 L N 4.661 125.932 121.223 0.080 0.000 3.034 163 L HA 0.279 4.616 4.340 -0.005 0.000 0.245 163 L C 1.097 178.029 176.870 0.104 0.000 1.295 163 L CA -0.765 54.131 54.840 0.093 0.000 1.068 163 L CB -0.298 41.823 42.059 0.103 0.000 1.426 163 L HN 0.183 nan 8.230 nan 0.000 0.531 164 R N -0.077 120.477 120.500 0.091 0.000 2.598 164 R HA -0.145 4.192 4.340 -0.005 0.000 0.266 164 R C 0.036 176.396 176.300 0.101 0.000 0.977 164 R CA -0.151 56.007 56.100 0.097 0.000 1.097 164 R CB -0.182 30.168 30.300 0.083 0.000 0.911 164 R HN 0.205 nan 8.270 nan 0.000 0.419 165 E N 0.498 120.762 120.200 0.108 0.000 1.555 165 E HA -0.203 4.144 4.350 -0.005 0.000 0.177 165 E C -0.430 176.212 176.600 0.069 0.000 1.134 165 E CA 1.105 57.560 56.400 0.092 0.000 0.557 165 E CB -0.879 28.875 29.700 0.090 0.000 1.040 165 E HN 0.475 nan 8.360 nan 0.000 0.279 166 S N 0.701 116.453 115.700 0.086 0.000 2.589 166 S HA 0.126 4.593 4.470 -0.005 0.000 0.265 166 S C 0.303 174.906 174.600 0.005 0.000 1.342 166 S CA -0.376 57.877 58.200 0.087 0.000 1.005 166 S CB 0.619 63.944 63.200 0.207 0.000 0.909 166 S HN 0.434 nan 8.310 nan 0.000 0.555 167 D N 1.628 121.987 120.400 -0.067 0.000 2.458 167 D HA 0.350 4.986 4.640 -0.005 0.000 0.258 167 D C -0.616 175.493 176.300 -0.317 0.000 1.134 167 D CA -0.519 53.399 54.000 -0.136 0.000 0.915 167 D CB 0.240 40.987 40.800 -0.088 0.000 1.028 167 D HN 0.112 nan 8.370 nan 0.000 0.508 168 V N 2.326 122.034 119.914 -0.343 0.000 2.732 168 V HA 0.210 4.327 4.120 -0.005 0.000 0.297 168 V C 0.592 176.494 176.094 -0.320 0.000 1.060 168 V CA -0.699 61.295 62.300 -0.511 0.000 1.038 168 V CB 1.390 32.987 31.823 -0.376 0.000 1.003 168 V HN 0.500 nan 8.190 nan 0.000 0.481 169 D N 2.144 122.349 120.400 -0.324 0.000 2.336 169 D HA 0.086 4.723 4.640 -0.005 0.000 0.249 169 D C -0.330 175.894 176.300 -0.126 0.000 1.213 169 D CA -0.171 53.722 54.000 -0.179 0.000 0.870 169 D CB 0.347 41.062 40.800 -0.141 0.000 1.076 169 D HN 0.455 nan 8.370 nan 0.000 0.483 170 D N 4.141 124.490 120.400 -0.086 0.000 2.435 170 D HA 0.020 4.657 4.640 -0.005 0.000 0.230 170 D C 1.040 177.325 176.300 -0.025 0.000 1.215 170 D CA -0.067 53.910 54.000 -0.038 0.000 0.947 170 D CB 1.402 42.189 40.800 -0.022 0.000 1.048 170 D HN 0.212 nan 8.370 nan 0.000 0.512 171 V N 1.228 121.133 119.914 -0.014 0.000 2.725 171 V HA -0.025 4.092 4.120 -0.005 0.000 0.247 171 V C 0.903 176.988 176.094 -0.014 0.000 1.058 171 V CA 0.802 63.093 62.300 -0.015 0.000 1.080 171 V CB -0.197 31.617 31.823 -0.014 0.000 0.713 171 V HN 0.657 nan 8.190 nan 0.000 0.465 172 S N -2.112 113.612 115.700 0.041 0.000 2.715 172 S HA 0.335 4.802 4.470 -0.005 0.000 0.290 172 S C 0.456 175.181 174.600 0.208 0.000 1.008 172 S CA -0.092 58.118 58.200 0.017 0.000 0.850 172 S CB 0.552 63.632 63.200 -0.200 0.000 1.059 172 S HN 0.431 nan 8.310 nan 0.000 0.455 173 G N 0.567 109.474 108.800 0.179 0.000 2.564 173 G HA2 -0.120 3.837 3.960 -0.005 0.000 0.216 173 G HA3 -0.120 3.837 3.960 -0.005 0.000 0.216 173 G C 0.843 175.822 174.900 0.131 0.000 1.124 173 G CA 0.988 46.208 45.100 0.201 0.000 0.764 173 G HN 0.877 nan 8.290 nan 0.000 0.550 174 H N -0.193 118.914 119.070 0.062 0.000 2.545 174 H HA -0.052 4.500 4.556 -0.006 0.000 0.282 174 H C 2.231 177.664 175.328 0.176 0.000 1.020 174 H CA 0.335 56.437 56.048 0.091 0.000 1.243 174 H CB -0.462 29.408 29.762 0.180 0.000 1.377 174 H HN 0.841 nan 8.280 nan 0.000 0.581 175 W N 0.752 122.182 121.300 0.216 0.000 2.338 175 W HA -0.188 4.469 4.660 -0.006 0.000 0.304 175 W C 1.546 178.162 176.519 0.162 0.000 1.212 175 W CA 0.513 57.885 57.345 0.045 0.000 1.264 175 W CB -1.403 28.036 29.460 -0.035 0.000 1.142 175 W HN 0.217 nan 8.180 nan 0.000 0.512 176 L N 2.512 123.136 121.223 -0.999 0.000 2.191 176 L HA -0.207 4.130 4.340 -0.005 0.000 0.212 176 L C 2.567 179.414 176.870 -0.039 0.000 1.103 176 L CA 2.309 56.700 54.840 -0.747 0.000 0.769 176 L CB -0.407 40.985 42.059 -1.112 0.000 0.908 176 L HN -0.075 nan 8.230 nan 0.000 0.438 177 S N -1.937 113.747 115.700 -0.027 0.000 2.461 177 S HA -0.097 4.370 4.470 -0.005 0.000 0.228 177 S C 1.606 176.236 174.600 0.050 0.000 1.005 177 S CA 0.406 58.607 58.200 0.001 0.000 0.942 177 S CB -0.650 62.485 63.200 -0.107 0.000 0.776 177 S HN 0.595 nan 8.310 nan 0.000 0.514 178 H N 0.073 119.144 119.070 0.002 0.000 2.543 178 H HA 0.072 4.624 4.556 -0.005 0.000 0.286 178 H C -0.277 175.042 175.328 -0.015 0.000 1.037 178 H CA 0.319 56.364 56.048 -0.005 0.000 1.250 178 H CB -0.249 29.512 29.762 -0.002 0.000 1.373 178 H HN 0.390 nan 8.280 nan 0.000 0.580 179 F N 3.707 123.711 119.950 0.089 0.000 2.533 179 F HA 0.050 4.574 4.527 -0.005 0.000 0.378 179 F C -1.405 174.426 175.800 0.051 0.000 1.070 179 F CA -1.971 56.051 58.000 0.037 0.000 1.172 179 F CB 0.480 39.516 39.000 0.060 0.000 1.085 179 F HN 0.049 nan 8.300 nan 0.000 0.552 180 P HA -0.013 nan 4.420 nan 0.000 0.272 180 P C -0.155 177.262 177.300 0.196 0.000 1.230 180 P CA -0.226 62.982 63.100 0.180 0.000 0.788 180 P CB 0.942 32.727 31.700 0.142 0.000 0.949 181 D N 0.078 120.548 120.400 0.115 0.000 2.350 181 D HA -0.075 4.562 4.640 -0.005 0.000 0.216 181 D C 1.480 177.828 176.300 0.080 0.000 0.968 181 D CA 1.331 55.378 54.000 0.079 0.000 0.894 181 D CB -0.430 40.394 40.800 0.040 0.000 0.909 181 D HN 0.469 nan 8.370 nan 0.000 0.520 182 T N -1.838 112.784 114.554 0.113 0.000 3.081 182 T HA -0.080 4.267 4.350 -0.005 0.000 0.255 182 T C 0.818 175.599 174.700 0.135 0.000 1.113 182 T CA -0.303 61.856 62.100 0.098 0.000 1.082 182 T CB -0.289 68.638 68.868 0.098 0.000 0.939 182 T HN 0.037 nan 8.240 nan 0.000 0.506 183 Y N 3.496 123.827 120.300 0.051 0.000 2.465 183 Y HA 0.377 4.923 4.550 -0.005 0.000 0.331 183 Y C 1.227 177.116 175.900 -0.017 0.000 1.102 183 Y CA -0.235 57.897 58.100 0.053 0.000 1.358 183 Y CB 0.879 39.424 38.460 0.142 0.000 1.213 183 Y HN 0.157 nan 8.280 nan 0.000 0.525 184 T N -1.018 113.183 114.554 -0.588 0.000 3.186 184 T HA 0.043 4.389 4.350 -0.005 0.000 0.292 184 T C 0.868 175.191 174.700 -0.628 0.000 0.915 184 T CA 0.333 62.106 62.100 -0.546 0.000 0.902 184 T CB -0.807 67.919 68.868 -0.238 0.000 1.192 184 T HN 0.496 nan 8.240 nan 0.000 0.563 185 S N 1.166 116.374 115.700 -0.820 0.000 2.593 185 S HA 0.329 4.796 4.470 -0.005 0.000 0.217 185 S C 0.569 175.022 174.600 -0.245 0.000 0.966 185 S CA -0.534 57.463 58.200 -0.339 0.000 0.914 185 S CB -0.518 62.636 63.200 -0.076 0.000 0.776 185 S HN 0.401 nan 8.310 nan 0.000 0.523 186 L N 2.738 123.735 121.223 -0.377 0.000 2.601 186 L HA 0.089 4.426 4.340 -0.005 0.000 0.277 186 L C 0.876 177.693 176.870 -0.089 0.000 1.219 186 L CA 0.467 55.236 54.840 -0.117 0.000 0.915 186 L CB 0.471 42.440 42.059 -0.151 0.000 1.160 186 L HN 0.113 nan 8.230 nan 0.000 0.494 187 V N 2.394 122.290 119.914 -0.031 0.000 3.455 187 V HA 0.254 4.371 4.120 -0.005 0.000 0.250 187 V C 0.579 176.660 176.094 -0.022 0.000 1.230 187 V CA 0.712 62.990 62.300 -0.038 0.000 1.105 187 V CB 0.525 32.327 31.823 -0.035 0.000 0.850 187 V HN 0.808 nan 8.190 nan 0.000 0.461 188 S N 0.414 116.116 115.700 0.004 0.000 2.649 188 S HA 0.663 5.130 4.470 -0.005 0.000 0.274 188 S C -1.860 172.772 174.600 0.052 0.000 1.176 188 S CA -0.340 57.869 58.200 0.015 0.000 0.988 188 S CB 1.499 64.702 63.200 0.005 0.000 1.071 188 S HN 0.149 nan 8.310 nan 0.000 0.478 189 L N 5.101 126.360 121.223 0.059 0.000 2.376 189 L HA 0.716 5.053 4.340 -0.005 0.000 0.275 189 L C -1.063 175.872 176.870 0.109 0.000 0.987 189 L CA -0.223 54.682 54.840 0.109 0.000 0.828 189 L CB 1.799 43.929 42.059 0.119 0.000 1.249 189 L HN 0.690 nan 8.230 nan 0.000 0.409 190 N N 5.319 124.094 118.700 0.126 0.000 2.483 190 N HA 0.424 5.161 4.740 -0.005 0.000 0.267 190 N C -0.251 175.354 175.510 0.159 0.000 0.998 190 N CA -0.445 52.678 53.050 0.121 0.000 0.918 190 N CB 1.060 39.601 38.487 0.089 0.000 1.215 190 N HN 0.685 nan 8.380 nan 0.000 0.500 191 I N 0.475 121.158 120.570 0.188 0.000 3.966 191 I HA 0.226 4.393 4.170 -0.005 0.000 0.324 191 I C 0.985 177.215 176.117 0.189 0.000 1.517 191 I CA -0.378 61.051 61.300 0.215 0.000 1.117 191 I CB 0.181 38.375 38.000 0.323 0.000 1.190 191 I HN 0.208 nan 8.210 nan 0.000 0.466 192 S N 1.345 117.170 115.700 0.209 0.000 2.420 192 S HA -0.248 4.219 4.470 -0.005 0.000 0.237 192 S C 1.862 176.573 174.600 0.185 0.000 1.023 192 S CA 1.447 59.819 58.200 0.287 0.000 0.991 192 S CB -1.204 62.245 63.200 0.416 0.000 0.792 192 S HN 0.843 nan 8.310 nan 0.000 0.488 193 C N 0.454 119.832 119.300 0.132 0.000 2.594 193 C HA 0.485 4.942 4.460 -0.005 0.000 0.265 193 C C 1.093 176.094 174.990 0.019 0.000 1.351 193 C CA -1.274 57.786 59.018 0.070 0.000 1.744 193 C CB -1.619 26.162 27.740 0.068 0.000 1.890 193 C HN 0.456 nan 8.230 nan 0.000 0.551 194 L N 1.404 122.654 121.223 0.046 0.000 2.483 194 L HA 0.320 4.657 4.340 -0.005 0.000 0.276 194 L C 1.396 178.260 176.870 -0.010 0.000 1.213 194 L CA 0.466 55.332 54.840 0.043 0.000 0.843 194 L CB 0.569 42.719 42.059 0.152 0.000 1.107 194 L HN 0.392 nan 8.230 nan 0.000 0.487 195 A N 1.463 124.273 122.820 -0.017 0.000 2.026 195 A HA 0.033 4.350 4.320 -0.005 0.000 0.201 195 A C 1.045 178.626 177.584 -0.006 0.000 1.318 195 A CA 0.550 52.556 52.037 -0.052 0.000 0.857 195 A CB -0.164 18.793 19.000 -0.071 0.000 0.939 195 A HN 0.782 nan 8.150 nan 0.000 0.476 196 S N 1.493 117.217 115.700 0.041 0.000 4.004 196 S HA -0.153 4.314 4.470 -0.005 0.000 0.480 196 S C 0.045 174.709 174.600 0.107 0.000 1.098 196 S CA 0.520 58.778 58.200 0.097 0.000 1.033 196 S CB -0.470 62.850 63.200 0.200 0.000 0.714 196 S HN 0.545 nan 8.310 nan 0.000 0.501 197 E N 3.814 124.056 120.200 0.070 0.000 2.217 197 E HA 0.238 4.585 4.350 -0.005 0.000 0.279 197 E C -0.312 176.342 176.600 0.089 0.000 1.068 197 E CA -0.697 55.741 56.400 0.064 0.000 0.882 197 E CB 0.791 30.515 29.700 0.039 0.000 1.039 197 E HN 0.633 nan 8.360 nan 0.000 0.418 198 V N 4.290 124.249 119.914 0.075 0.000 2.715 198 V HA -0.060 4.057 4.120 -0.005 0.000 0.299 198 V C 0.531 176.639 176.094 0.022 0.000 1.054 198 V CA 0.163 62.462 62.300 -0.001 0.000 1.077 198 V CB 1.426 33.216 31.823 -0.055 0.000 0.972 198 V HN 0.836 nan 8.190 nan 0.000 0.484 199 S N 4.974 120.663 115.700 -0.019 0.000 2.596 199 S HA -0.062 4.405 4.470 -0.005 0.000 0.298 199 S C 0.793 175.395 174.600 0.003 0.000 1.255 199 S CA 0.038 58.230 58.200 -0.015 0.000 1.083 199 S CB -0.225 62.914 63.200 -0.102 0.000 0.837 199 S HN 0.629 nan 8.310 nan 0.000 0.499 200 F N 4.882 124.798 119.950 -0.057 0.000 2.146 200 F HA -0.057 4.467 4.527 -0.006 0.000 0.298 200 F C 2.384 178.150 175.800 -0.057 0.000 1.096 200 F CA 2.021 59.990 58.000 -0.053 0.000 1.275 200 F CB -0.720 38.255 39.000 -0.042 0.000 1.008 200 F HN 0.747 nan 8.300 nan 0.000 0.480 201 S N 1.030 116.696 115.700 -0.057 0.000 2.359 201 S HA -0.295 4.172 4.470 -0.005 0.000 0.222 201 S C 2.375 176.852 174.600 -0.204 0.000 1.038 201 S CA 1.277 59.406 58.200 -0.117 0.000 1.051 201 S CB -1.398 61.773 63.200 -0.047 0.000 0.944 201 S HN 0.517 nan 8.310 nan 0.000 0.433 202 A N 2.039 124.759 122.820 -0.168 0.000 1.873 202 A HA -0.136 4.181 4.320 -0.005 0.000 0.218 202 A C 2.236 179.689 177.584 -0.218 0.000 1.193 202 A CA 1.945 53.885 52.037 -0.163 0.000 0.629 202 A CB -1.020 17.894 19.000 -0.143 0.000 0.826 202 A HN 0.433 nan 8.150 nan 0.000 0.447 203 L N 0.061 121.111 121.223 -0.289 0.000 2.042 203 L HA -0.178 4.159 4.340 -0.005 0.000 0.210 203 L C 2.285 178.924 176.870 -0.385 0.000 1.076 203 L CA 2.877 57.523 54.840 -0.323 0.000 0.749 203 L CB -0.736 41.121 42.059 -0.337 0.000 0.893 203 L HN 0.634 nan 8.230 nan 0.000 0.432 204 E N -0.650 119.218 120.200 -0.553 0.000 2.051 204 E HA -0.260 4.086 4.350 -0.005 0.000 0.192 204 E C 2.385 178.838 176.600 -0.246 0.000 0.991 204 E CA 1.089 57.221 56.400 -0.446 0.000 0.799 204 E CB -0.125 29.284 29.700 -0.486 0.000 0.748 204 E HN 0.487 nan 8.360 nan 0.000 0.449 205 R N 0.378 120.757 120.500 -0.202 0.000 2.081 205 R HA -0.114 4.222 4.340 -0.005 0.000 0.235 205 R C 2.603 178.820 176.300 -0.139 0.000 1.131 205 R CA 1.145 57.163 56.100 -0.137 0.000 0.960 205 R CB -0.364 29.872 30.300 -0.106 0.000 0.856 205 R HN 0.308 nan 8.270 nan 0.000 0.436 206 L N 0.475 121.600 121.223 -0.163 0.000 1.944 206 L HA -0.266 4.071 4.340 -0.005 0.000 0.218 206 L C 2.246 179.003 176.870 -0.188 0.000 1.075 206 L CA 1.798 56.526 54.840 -0.187 0.000 0.767 206 L CB -0.515 41.413 42.059 -0.219 0.000 0.890 206 L HN 0.101 nan 8.230 nan 0.000 0.434 207 V N -0.227 119.579 119.914 -0.180 0.000 2.370 207 V HA -0.367 3.750 4.120 -0.005 0.000 0.252 207 V C 2.520 178.535 176.094 -0.131 0.000 1.068 207 V CA 2.432 64.643 62.300 -0.148 0.000 1.061 207 V CB -0.958 30.786 31.823 -0.132 0.000 0.656 207 V HN 0.581 nan 8.190 nan 0.000 0.455 208 T N 0.645 115.123 114.554 -0.127 0.000 2.701 208 T HA -0.189 4.158 4.350 -0.005 0.000 0.263 208 T C 1.765 176.404 174.700 -0.102 0.000 1.040 208 T CA 1.668 63.707 62.100 -0.101 0.000 1.147 208 T CB -0.321 68.493 68.868 -0.091 0.000 0.865 208 T HN 0.683 nan 8.240 nan 0.000 0.426 209 R N 0.908 121.339 120.500 -0.115 0.000 2.346 209 R HA 0.103 4.439 4.340 -0.005 0.000 0.199 209 R C -0.215 175.986 176.300 -0.165 0.000 1.015 209 R CA 0.248 56.276 56.100 -0.120 0.000 1.058 209 R CB -0.909 29.327 30.300 -0.106 0.000 0.921 209 R HN 0.283 nan 8.270 nan 0.000 0.475 210 C N 2.993 122.185 119.300 -0.180 0.000 2.248 210 C HA 0.351 4.808 4.460 -0.005 0.000 0.320 210 C C -1.243 173.660 174.990 -0.146 0.000 1.065 210 C CA -1.594 57.298 59.018 -0.210 0.000 1.558 210 C CB 1.225 28.800 27.740 -0.274 0.000 1.787 210 C HN 0.315 nan 8.230 nan 0.000 0.426 211 P HA -0.088 nan 4.420 nan 0.000 0.225 211 P C 0.577 177.828 177.300 -0.082 0.000 1.148 211 P CA 1.434 64.480 63.100 -0.090 0.000 0.779 211 P CB 0.283 31.936 31.700 -0.078 0.000 0.780 212 N N -0.523 118.119 118.700 -0.096 0.000 2.203 212 N HA 0.083 4.820 4.740 -0.005 0.000 0.207 212 N C 0.399 175.864 175.510 -0.074 0.000 1.130 212 N CA -0.251 52.752 53.050 -0.079 0.000 0.861 212 N CB -0.259 38.180 38.487 -0.080 0.000 1.005 212 N HN 0.169 nan 8.380 nan 0.000 0.507 213 L N 1.583 122.756 121.223 -0.083 0.000 2.485 213 L HA 0.112 4.449 4.340 -0.005 0.000 0.279 213 L C 0.858 177.698 176.870 -0.051 0.000 1.124 213 L CA 0.353 55.151 54.840 -0.071 0.000 0.888 213 L CB 0.473 42.482 42.059 -0.084 0.000 1.217 213 L HN -0.173 nan 8.230 nan 0.000 0.464 214 K N 2.201 122.576 120.400 -0.041 0.000 2.352 214 K HA 0.221 4.538 4.320 -0.005 0.000 0.194 214 K C 0.224 176.807 176.600 -0.029 0.000 1.038 214 K CA 0.202 56.468 56.287 -0.034 0.000 1.023 214 K CB 0.455 32.935 32.500 -0.033 0.000 0.840 214 K HN 0.536 nan 8.250 nan 0.000 0.519 215 S N 1.032 116.717 115.700 -0.025 0.000 2.707 215 S HA 0.528 4.995 4.470 -0.005 0.000 0.303 215 S C -1.700 172.896 174.600 -0.008 0.000 1.132 215 S CA -0.736 57.453 58.200 -0.019 0.000 1.046 215 S CB 0.453 63.643 63.200 -0.017 0.000 1.004 215 S HN 0.136 nan 8.310 nan 0.000 0.483 216 L N 5.062 126.281 121.223 -0.006 0.000 2.409 216 L HA 0.684 5.020 4.340 -0.005 0.000 0.272 216 L C -1.311 175.572 176.870 0.022 0.000 0.980 216 L CA -0.126 54.721 54.840 0.012 0.000 0.826 216 L CB 1.574 43.635 42.059 0.003 0.000 1.268 216 L HN 0.571 nan 8.230 nan 0.000 0.407 217 K N 5.812 126.246 120.400 0.056 0.000 2.535 217 K HA 0.600 4.917 4.320 -0.005 0.000 0.253 217 K C -1.302 175.382 176.600 0.140 0.000 0.953 217 K CA -0.413 55.922 56.287 0.079 0.000 0.863 217 K CB 1.634 34.178 32.500 0.073 0.000 1.111 217 K HN 0.560 nan 8.250 nan 0.000 0.431 218 L N 2.408 123.735 121.223 0.172 0.000 2.358 218 L HA 0.427 4.764 4.340 -0.005 0.000 0.268 218 L C 0.452 177.462 176.870 0.234 0.000 1.032 218 L CA -1.101 53.849 54.840 0.185 0.000 0.805 218 L CB 0.967 43.123 42.059 0.160 0.000 1.253 218 L HN 0.706 nan 8.230 nan 0.000 0.452 219 N N 0.314 119.080 118.700 0.109 0.000 2.447 219 N HA 0.172 4.909 4.740 -0.005 0.000 0.271 219 N C 0.460 175.784 175.510 -0.309 0.000 1.226 219 N CA -0.652 52.343 53.050 -0.091 0.000 0.980 219 N CB 0.817 39.263 38.487 -0.070 0.000 1.206 219 N HN 0.460 nan 8.380 nan 0.000 0.558 220 R N -0.484 119.569 120.500 -0.745 0.000 2.159 220 R HA -0.076 4.261 4.340 -0.005 0.000 0.237 220 R C 1.504 177.620 176.300 -0.307 0.000 1.131 220 R CA 1.425 57.058 56.100 -0.778 0.000 0.982 220 R CB -0.506 29.184 30.300 -1.016 0.000 0.868 220 R HN 0.760 nan 8.270 nan 0.000 0.453 221 A N 0.214 122.913 122.820 -0.202 0.000 2.168 221 A HA 0.031 4.348 4.320 -0.005 0.000 0.215 221 A C 0.723 178.280 177.584 -0.045 0.000 1.152 221 A CA 0.344 52.322 52.037 -0.098 0.000 0.716 221 A CB 0.268 19.238 19.000 -0.050 0.000 0.794 221 A HN 0.062 nan 8.150 nan 0.000 0.465 222 V N 2.258 122.162 119.914 -0.017 0.000 2.408 222 V HA 0.223 4.340 4.120 -0.005 0.000 0.267 222 V C -2.393 173.685 176.094 -0.027 0.000 1.047 222 V CA -1.517 60.797 62.300 0.023 0.000 0.937 222 V CB 1.026 32.916 31.823 0.111 0.000 0.999 222 V HN 0.218 nan 8.190 nan 0.000 0.472 223 P HA 0.192 nan 4.420 nan 0.000 0.277 223 P C 0.694 177.914 177.300 -0.134 0.000 1.240 223 P CA -0.591 62.441 63.100 -0.113 0.000 0.798 223 P CB 0.889 32.498 31.700 -0.153 0.000 0.979 224 L N 2.761 123.888 121.223 -0.161 0.000 1.997 224 L HA -0.249 4.088 4.340 -0.005 0.000 0.216 224 L C 1.796 178.506 176.870 -0.266 0.000 1.074 224 L CA 2.016 56.697 54.840 -0.265 0.000 0.763 224 L CB -1.459 40.314 42.059 -0.478 0.000 0.890 224 L HN 0.459 nan 8.230 nan 0.000 0.434 225 E N -0.830 119.213 120.200 -0.262 0.000 2.352 225 E HA -0.241 4.105 4.350 -0.005 0.000 0.203 225 E C 1.249 177.724 176.600 -0.208 0.000 1.024 225 E CA 1.040 57.308 56.400 -0.220 0.000 0.842 225 E CB 0.022 29.607 29.700 -0.191 0.000 0.753 225 E HN 0.484 nan 8.360 nan 0.000 0.508 226 K N -0.396 119.867 120.400 -0.227 0.000 2.402 226 K HA 0.153 4.469 4.320 -0.005 0.000 0.204 226 K C 1.767 178.330 176.600 -0.061 0.000 1.056 226 K CA -0.165 55.955 56.287 -0.279 0.000 1.069 226 K CB 0.407 32.471 32.500 -0.727 0.000 0.888 226 K HN 0.148 nan 8.250 nan 0.000 0.546 227 L N 1.081 122.275 121.223 -0.048 0.000 2.046 227 L HA -0.163 4.174 4.340 -0.005 0.000 0.208 227 L C 2.190 179.075 176.870 0.026 0.000 1.077 227 L CA 1.473 56.324 54.840 0.019 0.000 0.747 227 L CB -0.324 41.725 42.059 -0.017 0.000 0.896 227 L HN 0.114 nan 8.230 nan 0.000 0.432 228 A N -0.739 122.073 122.820 -0.014 0.000 1.917 228 A HA -0.251 4.065 4.320 -0.005 0.000 0.219 228 A C 2.221 179.817 177.584 0.020 0.000 1.182 228 A CA 2.491 54.521 52.037 -0.011 0.000 0.633 228 A CB -1.006 17.974 19.000 -0.035 0.000 0.819 228 A HN 0.460 nan 8.150 nan 0.000 0.448 229 T N 0.570 115.155 114.554 0.051 0.000 2.652 229 T HA -0.127 4.220 4.350 -0.005 0.000 0.267 229 T C 1.836 176.590 174.700 0.090 0.000 1.039 229 T CA 1.522 63.676 62.100 0.090 0.000 1.153 229 T CB -0.472 68.505 68.868 0.181 0.000 0.863 229 T HN 0.383 nan 8.240 nan 0.000 0.428 230 L N 0.556 121.861 121.223 0.136 0.000 2.013 230 L HA -0.138 4.199 4.340 -0.005 0.000 0.212 230 L C 2.534 179.416 176.870 0.019 0.000 1.073 230 L CA 1.453 56.328 54.840 0.058 0.000 0.753 230 L CB -0.781 41.326 42.059 0.080 0.000 0.890 230 L HN 0.286 nan 8.230 nan 0.000 0.432 231 L N -0.856 120.381 121.223 0.024 0.000 2.191 231 L HA -0.200 4.137 4.340 -0.005 0.000 0.212 231 L C 2.787 179.656 176.870 -0.002 0.000 1.103 231 L CA 0.814 55.658 54.840 0.006 0.000 0.769 231 L CB -0.588 41.475 42.059 0.006 0.000 0.908 231 L HN 0.381 nan 8.230 nan 0.000 0.438 232 Q N 0.046 119.847 119.800 0.002 0.000 2.167 232 Q HA -0.109 4.228 4.340 -0.005 0.000 0.202 232 Q C 2.183 178.174 176.000 -0.014 0.000 0.970 232 Q CA 0.950 56.750 55.803 -0.004 0.000 0.855 232 Q CB -0.168 28.570 28.738 0.000 0.000 0.911 232 Q HN 0.468 nan 8.270 nan 0.000 0.438 233 R N 0.131 120.620 120.500 -0.019 0.000 2.236 233 R HA 0.098 4.435 4.340 -0.005 0.000 0.208 233 R C 0.698 176.974 176.300 -0.041 0.000 1.036 233 R CA 0.620 56.699 56.100 -0.036 0.000 1.001 233 R CB 0.052 30.321 30.300 -0.051 0.000 0.896 233 R HN 0.067 nan 8.270 nan 0.000 0.464 234 A N 1.850 124.651 122.820 -0.032 0.000 3.105 234 A HA 0.323 4.640 4.320 -0.005 0.000 0.297 234 A C -1.812 175.756 177.584 -0.026 0.000 0.977 234 A CA -0.963 51.053 52.037 -0.035 0.000 1.020 234 A CB 0.648 19.626 19.000 -0.036 0.000 1.098 234 A HN -0.086 nan 8.150 nan 0.000 0.497 235 P HA -0.180 nan 4.420 nan 0.000 0.225 235 P C 0.930 178.219 177.300 -0.018 0.000 1.148 235 P CA 1.026 64.116 63.100 -0.018 0.000 0.779 235 P CB 0.263 31.953 31.700 -0.017 0.000 0.780 236 Q N -0.769 119.017 119.800 -0.025 0.000 2.360 236 Q HA 0.064 4.401 4.340 -0.005 0.000 0.202 236 Q C 0.578 176.563 176.000 -0.025 0.000 0.915 236 Q CA -0.361 55.427 55.803 -0.025 0.000 0.943 236 Q CB -1.048 27.672 28.738 -0.030 0.000 1.064 236 Q HN 0.117 nan 8.270 nan 0.000 0.511 237 L N 2.675 123.883 121.223 -0.024 0.000 2.720 237 L HA -0.140 4.197 4.340 -0.005 0.000 0.289 237 L C 1.297 178.154 176.870 -0.021 0.000 1.232 237 L CA 1.050 55.876 54.840 -0.023 0.000 0.915 237 L CB 0.150 42.197 42.059 -0.021 0.000 1.184 237 L HN 0.265 nan 8.230 nan 0.000 0.491 238 E N 1.548 121.733 120.200 -0.024 0.000 2.307 238 E HA 0.079 4.426 4.350 -0.005 0.000 0.195 238 E C -0.345 176.238 176.600 -0.028 0.000 0.975 238 E CA 0.467 56.853 56.400 -0.024 0.000 0.878 238 E CB 0.437 30.121 29.700 -0.026 0.000 0.845 238 E HN 0.670 nan 8.360 nan 0.000 0.488 239 E N 0.367 120.548 120.200 -0.032 0.000 2.275 239 E HA 0.431 4.778 4.350 -0.005 0.000 0.270 239 E C -1.617 174.957 176.600 -0.042 0.000 0.882 239 E CA -0.615 55.760 56.400 -0.043 0.000 0.758 239 E CB 2.640 32.310 29.700 -0.049 0.000 1.195 239 E HN -0.104 nan 8.360 nan 0.000 0.419 240 L N 1.144 122.333 121.223 -0.057 0.000 2.408 240 L HA 0.791 5.127 4.340 -0.005 0.000 0.268 240 L C -0.822 175.981 176.870 -0.112 0.000 0.986 240 L CA -0.200 54.602 54.840 -0.062 0.000 0.820 240 L CB 2.053 44.080 42.059 -0.053 0.000 1.303 240 L HN 0.592 nan 8.230 nan 0.000 0.411 241 G N 1.960 110.708 108.800 -0.087 0.000 2.487 241 G HA2 0.508 4.465 3.960 -0.005 0.000 0.314 241 G HA3 0.508 4.465 3.960 -0.005 0.000 0.314 241 G C -0.149 174.703 174.900 -0.081 0.000 1.267 241 G CA 0.095 45.116 45.100 -0.132 0.000 0.937 241 G HN 0.847 nan 8.290 nan 0.000 0.481 242 T N 0.566 114.989 114.554 -0.218 0.000 2.667 242 T HA 0.582 4.929 4.350 -0.005 0.000 0.305 242 T C 1.230 176.048 174.700 0.197 0.000 1.022 242 T CA 0.363 62.428 62.100 -0.058 0.000 0.995 242 T CB 1.290 70.072 68.868 -0.144 0.000 1.026 242 T HN 0.645 nan 8.240 nan 0.000 0.527 243 G N -0.638 108.312 108.800 0.251 0.000 3.075 243 G HA2 0.578 4.535 3.960 -0.005 0.000 0.156 243 G HA3 0.578 4.535 3.960 -0.005 0.000 0.156 243 G C 0.604 175.760 174.900 0.426 0.000 1.403 243 G CA -0.584 44.700 45.100 0.306 0.000 1.033 243 G HN 1.070 nan 8.290 nan 0.000 0.589 244 G N -1.687 107.242 108.800 0.215 0.000 2.464 244 G HA2 0.227 4.184 3.960 -0.005 0.000 0.231 244 G HA3 0.227 4.184 3.960 -0.005 0.000 0.231 244 G C -0.826 174.250 174.900 0.292 0.000 1.267 244 G CA 0.158 45.396 45.100 0.231 0.000 0.863 244 G HN 0.447 nan 8.290 nan 0.000 0.559 245 Y N 0.944 121.344 120.300 0.167 0.000 2.517 245 Y HA 0.461 5.008 4.550 -0.005 0.000 0.330 245 Y C 0.536 176.487 175.900 0.084 0.000 0.917 245 Y CA -0.333 57.843 58.100 0.127 0.000 1.131 245 Y CB 0.992 39.611 38.460 0.265 0.000 1.175 245 Y HN 0.707 nan 8.280 nan 0.000 0.620 246 T N 0.812 115.368 114.554 0.004 0.000 2.900 246 T HA 0.919 5.266 4.350 -0.005 0.000 0.303 246 T C -1.480 173.136 174.700 -0.141 0.000 1.142 246 T CA 0.014 62.113 62.100 -0.001 0.000 1.007 246 T CB 1.336 70.255 68.868 0.084 0.000 1.156 246 T HN 0.476 nan 8.240 nan 0.000 0.490 247 A N 2.344 125.108 122.820 -0.094 0.000 2.567 247 A HA 0.597 4.914 4.320 -0.005 0.000 0.291 247 A C -0.842 176.795 177.584 0.088 0.000 1.048 247 A CA -0.751 51.226 52.037 -0.100 0.000 0.661 247 A CB 0.827 19.628 19.000 -0.332 0.000 1.288 247 A HN 0.792 nan 8.150 nan 0.000 0.424 248 E N 0.613 120.854 120.200 0.070 0.000 2.558 248 E HA 0.183 4.530 4.350 -0.005 0.000 0.255 248 E C -0.294 176.449 176.600 0.238 0.000 0.968 248 E CA 0.273 56.741 56.400 0.114 0.000 0.939 248 E CB 0.416 30.152 29.700 0.059 0.000 0.921 248 E HN 0.418 nan 8.360 nan 0.000 0.477 249 V N 6.844 126.878 119.914 0.200 0.000 2.421 249 V HA 0.086 4.203 4.120 -0.005 0.000 0.271 249 V C 0.398 176.530 176.094 0.064 0.000 1.031 249 V CA 0.594 62.956 62.300 0.104 0.000 1.032 249 V CB -0.153 31.624 31.823 -0.078 0.000 1.009 249 V HN 0.554 nan 8.190 nan 0.000 0.477 250 R N 5.163 125.737 120.500 0.123 0.000 2.522 250 R HA 0.334 4.671 4.340 -0.005 0.000 0.283 250 R C -2.501 173.864 176.300 0.110 0.000 1.074 250 R CA -1.560 54.596 56.100 0.094 0.000 0.925 250 R CB 2.198 32.562 30.300 0.108 0.000 1.205 250 R HN 0.309 nan 8.270 nan 0.000 0.436 251 P HA -0.102 nan 4.420 nan 0.000 0.236 251 P C 0.316 177.689 177.300 0.122 0.000 1.177 251 P CA 0.749 63.902 63.100 0.088 0.000 0.773 251 P CB 0.263 31.973 31.700 0.016 0.000 0.878 252 D N 0.106 120.559 120.400 0.089 0.000 2.078 252 D HA -0.137 4.500 4.640 -0.005 0.000 0.193 252 D C 1.857 178.210 176.300 0.088 0.000 0.990 252 D CA 1.057 55.100 54.000 0.072 0.000 0.827 252 D CB -1.399 39.426 40.800 0.043 0.000 0.975 252 D HN -0.006 nan 8.370 nan 0.000 0.451 253 V N 0.609 120.590 119.914 0.110 0.000 2.222 253 V HA -0.351 3.766 4.120 -0.005 0.000 0.252 253 V C 2.539 178.755 176.094 0.204 0.000 1.060 253 V CA 2.267 64.644 62.300 0.129 0.000 1.027 253 V CB -1.120 30.808 31.823 0.176 0.000 0.644 253 V HN 0.198 nan 8.190 nan 0.000 0.448 254 Y N 0.596 121.033 120.300 0.229 0.000 2.256 254 Y HA -0.268 4.279 4.550 -0.006 0.000 0.288 254 Y C 2.839 178.787 175.900 0.079 0.000 1.155 254 Y CA 2.001 60.212 58.100 0.184 0.000 1.203 254 Y CB -0.196 38.266 38.460 0.004 0.000 0.980 254 Y HN 0.280 nan 8.280 nan 0.000 0.530 255 S N -0.567 115.214 115.700 0.135 0.000 2.388 255 S HA -0.023 4.443 4.470 -0.005 0.000 0.223 255 S C 2.297 176.888 174.600 -0.016 0.000 1.034 255 S CA 0.983 59.230 58.200 0.079 0.000 0.963 255 S CB -1.054 62.216 63.200 0.116 0.000 0.827 255 S HN 0.623 nan 8.310 nan 0.000 0.481 256 G N 2.224 111.020 108.800 -0.007 0.000 2.440 256 G HA2 -0.133 3.824 3.960 -0.005 0.000 0.218 256 G HA3 -0.133 3.824 3.960 -0.005 0.000 0.218 256 G C 1.457 176.321 174.900 -0.059 0.000 1.154 256 G CA 0.963 46.049 45.100 -0.024 0.000 0.767 256 G HN 0.485 nan 8.290 nan 0.000 0.552 257 L N 0.275 121.436 121.223 -0.104 0.000 1.944 257 L HA -0.180 4.156 4.340 -0.005 0.000 0.218 257 L C 3.117 179.898 176.870 -0.149 0.000 1.075 257 L CA 1.836 56.590 54.840 -0.143 0.000 0.767 257 L CB -0.660 41.266 42.059 -0.222 0.000 0.890 257 L HN 0.369 nan 8.230 nan 0.000 0.434 258 S N -0.798 114.754 115.700 -0.245 0.000 2.365 258 S HA -0.201 4.266 4.470 -0.005 0.000 0.225 258 S C 1.879 176.439 174.600 -0.067 0.000 1.039 258 S CA 1.733 59.824 58.200 -0.182 0.000 1.033 258 S CB -0.274 62.812 63.200 -0.189 0.000 0.887 258 S HN 0.249 nan 8.310 nan 0.000 0.447 259 V N 2.284 122.171 119.914 -0.045 0.000 2.231 259 V HA -0.235 3.882 4.120 -0.005 0.000 0.248 259 V C 2.827 178.912 176.094 -0.014 0.000 1.054 259 V CA 2.067 64.358 62.300 -0.016 0.000 1.015 259 V CB -1.612 30.206 31.823 -0.007 0.000 0.638 259 V HN 0.629 nan 8.190 nan 0.000 0.444 260 A N -0.369 122.439 122.820 -0.020 0.000 1.892 260 A HA -0.208 4.109 4.320 -0.005 0.000 0.218 260 A C 2.286 179.866 177.584 -0.007 0.000 1.188 260 A CA 2.210 54.240 52.037 -0.012 0.000 0.631 260 A CB -0.673 18.319 19.000 -0.014 0.000 0.822 260 A HN 0.497 nan 8.150 nan 0.000 0.447 261 L N 0.229 121.446 121.223 -0.010 0.000 2.017 261 L HA -0.191 4.146 4.340 -0.005 0.000 0.208 261 L C 2.838 179.715 176.870 0.010 0.000 1.073 261 L CA 1.792 56.634 54.840 0.004 0.000 0.745 261 L CB -0.353 41.710 42.059 0.007 0.000 0.894 261 L HN 0.573 nan 8.230 nan 0.000 0.432 262 S N -0.908 114.797 115.700 0.008 0.000 2.561 262 S HA -0.016 4.451 4.470 -0.005 0.000 0.225 262 S C 1.822 176.429 174.600 0.011 0.000 0.977 262 S CA 0.499 58.709 58.200 0.017 0.000 0.926 262 S CB -0.361 62.852 63.200 0.022 0.000 0.769 262 S HN 0.456 nan 8.310 nan 0.000 0.533 263 G N 0.369 109.172 108.800 0.005 0.000 2.679 263 G HA2 -0.026 3.931 3.960 -0.005 0.000 0.212 263 G HA3 -0.026 3.931 3.960 -0.005 0.000 0.212 263 G C 0.314 175.214 174.900 0.001 0.000 1.137 263 G CA 0.178 45.279 45.100 0.002 0.000 0.787 263 G HN 0.582 nan 8.290 nan 0.000 0.534 264 C N 2.179 121.481 119.300 0.003 0.000 2.125 264 C HA 0.388 4.844 4.460 -0.005 0.000 0.355 264 C C 1.346 176.339 174.990 0.004 0.000 1.047 264 C CA -1.224 57.794 59.018 0.001 0.000 1.501 264 C CB 0.309 28.050 27.740 0.001 0.000 1.783 264 C HN 0.249 nan 8.230 nan 0.000 0.455 265 K N 1.120 121.521 120.400 0.002 0.000 2.365 265 K HA -0.044 4.272 4.320 -0.005 0.000 0.199 265 K C 1.251 177.851 176.600 0.001 0.000 1.045 265 K CA 0.976 57.266 56.287 0.004 0.000 0.962 265 K CB 0.202 32.703 32.500 0.001 0.000 0.759 265 K HN 0.659 nan 8.250 nan 0.000 0.469 266 E N 0.510 120.708 120.200 -0.003 0.000 2.474 266 E HA 0.097 4.444 4.350 -0.005 0.000 0.195 266 E C 0.486 177.081 176.600 -0.007 0.000 1.039 266 E CA -0.164 56.232 56.400 -0.007 0.000 0.881 266 E CB 0.169 29.863 29.700 -0.012 0.000 0.970 266 E HN 0.209 nan 8.360 nan 0.000 0.486 267 L N 2.204 123.425 121.223 -0.003 0.000 2.562 267 L HA 0.006 4.343 4.340 -0.005 0.000 0.271 267 L C 1.391 178.260 176.870 -0.001 0.000 1.167 267 L CA 0.163 55.002 54.840 -0.002 0.000 0.917 267 L CB 0.470 42.533 42.059 0.007 0.000 1.187 267 L HN -0.158 nan 8.230 nan 0.000 0.482 268 R N 1.651 122.146 120.500 -0.010 0.000 2.316 268 R HA 0.226 4.562 4.340 -0.005 0.000 0.201 268 R C -0.374 175.916 176.300 -0.017 0.000 0.888 268 R CA 0.233 56.327 56.100 -0.011 0.000 1.041 268 R CB 0.162 30.452 30.300 -0.017 0.000 1.115 268 R HN 0.510 nan 8.270 nan 0.000 0.559 269 C N 1.255 120.538 119.300 -0.027 0.000 2.481 269 C HA 0.635 5.092 4.460 -0.005 0.000 0.324 269 C C -0.430 174.529 174.990 -0.052 0.000 1.170 269 C CA -1.014 57.976 59.018 -0.048 0.000 1.361 269 C CB 1.728 29.423 27.740 -0.076 0.000 1.977 269 C HN 0.188 nan 8.230 nan 0.000 0.459 270 L N 3.299 124.497 121.223 -0.041 0.000 2.408 270 L HA 0.807 5.144 4.340 -0.005 0.000 0.268 270 L C 0.094 176.931 176.870 -0.056 0.000 0.986 270 L CA 0.316 55.134 54.840 -0.038 0.000 0.820 270 L CB 2.187 44.305 42.059 0.099 0.000 1.303 270 L HN 0.989 nan 8.230 nan 0.000 0.411 271 S N 1.068 116.627 115.700 -0.235 0.000 2.790 271 S HA 0.980 5.447 4.470 -0.005 0.000 0.292 271 S C -0.138 174.074 174.600 -0.647 0.000 1.197 271 S CA 0.008 58.030 58.200 -0.296 0.000 0.851 271 S CB 2.045 65.082 63.200 -0.271 0.000 1.217 271 S HN 1.175 nan 8.310 nan 0.000 0.526 272 G N 0.607 109.088 108.800 -0.532 0.000 3.050 272 G HA2 0.055 4.011 3.960 -0.005 0.000 0.234 272 G HA3 0.055 4.011 3.960 -0.005 0.000 0.234 272 G C 0.177 174.767 174.900 -0.518 0.000 1.521 272 G CA -0.021 44.651 45.100 -0.713 0.000 1.090 272 G HN 1.778 nan 8.290 nan 0.000 0.556 273 F N -0.253 119.581 119.950 -0.194 0.000 3.058 273 F HA -0.118 4.406 4.527 -0.004 0.000 0.295 273 F C 0.725 176.545 175.800 0.035 0.000 0.875 273 F CA 0.482 58.376 58.000 -0.176 0.000 1.150 273 F CB -1.263 37.539 39.000 -0.330 0.000 1.175 273 F HN 0.485 nan 8.300 nan 0.000 0.599 274 W N 2.272 123.732 121.300 0.266 0.000 2.210 274 W HA 0.253 4.911 4.660 -0.004 0.000 0.330 274 W C 1.121 177.753 176.519 0.188 0.000 1.334 274 W CA 0.826 58.291 57.345 0.200 0.000 1.227 274 W CB 0.235 29.749 29.460 0.090 0.000 1.178 274 W HN 0.388 nan 8.180 nan 0.000 0.560 275 D N -0.118 120.508 120.400 0.377 0.000 2.860 275 D HA -0.194 4.442 4.640 -0.005 0.000 0.229 275 D C 0.273 176.736 176.300 0.272 0.000 1.169 275 D CA 0.831 54.986 54.000 0.259 0.000 0.737 275 D CB -1.756 39.161 40.800 0.196 0.000 1.080 275 D HN 0.428 nan 8.370 nan 0.000 0.424 276 A N -0.133 122.877 122.820 0.316 0.000 2.600 276 A HA 0.272 4.589 4.320 -0.005 0.000 0.244 276 A C 0.573 178.335 177.584 0.297 0.000 1.016 276 A CA 0.128 52.393 52.037 0.382 0.000 0.778 276 A CB 0.483 19.605 19.000 0.203 0.000 0.920 276 A HN 0.396 nan 8.150 nan 0.000 0.513 277 V N 6.710 126.850 119.914 0.376 0.000 2.383 277 V HA 0.187 4.304 4.120 -0.005 0.000 0.275 277 V C -1.271 174.981 176.094 0.264 0.000 1.036 277 V CA -0.871 61.596 62.300 0.279 0.000 0.889 277 V CB 1.387 33.403 31.823 0.322 0.000 0.985 277 V HN 0.844 nan 8.190 nan 0.000 0.459 278 P HA -0.211 nan 4.420 nan 0.000 0.217 278 P C 1.531 178.877 177.300 0.077 0.000 1.151 278 P CA 1.731 64.885 63.100 0.091 0.000 0.849 278 P CB 0.206 31.933 31.700 0.045 0.000 0.787 279 A N -1.957 120.881 122.820 0.030 0.000 2.032 279 A HA -0.215 4.102 4.320 -0.005 0.000 0.221 279 A C 1.785 179.300 177.584 -0.115 0.000 1.165 279 A CA 1.543 53.514 52.037 -0.109 0.000 0.645 279 A CB -1.701 17.159 19.000 -0.234 0.000 0.807 279 A HN 0.263 nan 8.150 nan 0.000 0.453 280 Y N -1.444 118.958 120.300 0.169 0.000 2.449 280 Y HA 0.274 4.820 4.550 -0.005 0.000 0.254 280 Y C 1.862 177.958 175.900 0.328 0.000 1.140 280 Y CA -0.152 58.077 58.100 0.215 0.000 1.272 280 Y CB 0.142 38.586 38.460 -0.026 0.000 1.114 280 Y HN 0.156 nan 8.280 nan 0.000 0.525 281 L N 0.509 121.980 121.223 0.412 0.000 2.017 281 L HA -0.153 4.184 4.340 -0.005 0.000 0.208 281 L C -0.584 176.215 176.870 -0.119 0.000 1.073 281 L CA 1.275 56.230 54.840 0.191 0.000 0.745 281 L CB -1.429 40.648 42.059 0.029 0.000 0.894 281 L HN 0.130 nan 8.230 nan 0.000 0.432 282 P HA -0.231 nan 4.420 nan 0.000 0.217 282 P C 1.396 178.263 177.300 -0.722 0.000 1.148 282 P CA 1.696 64.149 63.100 -1.077 0.000 0.828 282 P CB -0.089 31.405 31.700 -0.343 0.000 0.783 283 A N -0.310 122.385 122.820 -0.207 0.000 2.104 283 A HA -0.217 4.099 4.320 -0.005 0.000 0.223 283 A C 2.019 179.511 177.584 -0.153 0.000 1.164 283 A CA 2.254 54.085 52.037 -0.343 0.000 0.659 283 A CB -1.710 17.019 19.000 -0.451 0.000 0.808 283 A HN 0.298 nan 8.150 nan 0.000 0.465 284 V N -5.094 114.746 119.914 -0.124 0.000 3.647 284 V HA 0.113 4.230 4.120 -0.005 0.000 0.279 284 V C 1.703 177.910 176.094 0.188 0.000 1.314 284 V CA 0.324 62.665 62.300 0.067 0.000 1.125 284 V CB -1.189 30.728 31.823 0.158 0.000 0.907 284 V HN 0.432 nan 8.190 nan 0.000 0.434 285 Y N 2.018 122.357 120.300 0.064 0.000 2.373 285 Y HA 0.007 4.556 4.550 -0.002 0.000 0.293 285 Y C 2.855 178.775 175.900 0.034 0.000 1.129 285 Y CA 0.561 58.687 58.100 0.044 0.000 1.226 285 Y CB -1.180 37.310 38.460 0.050 0.000 1.000 285 Y HN 0.417 nan 8.280 nan 0.000 0.549 286 S N -0.136 115.676 115.700 0.187 0.000 2.359 286 S HA -0.195 4.272 4.470 -0.005 0.000 0.223 286 S C 2.332 176.983 174.600 0.085 0.000 1.039 286 S CA 1.628 59.892 58.200 0.107 0.000 1.042 286 S CB -1.069 62.173 63.200 0.070 0.000 0.915 286 S HN 0.256 nan 8.310 nan 0.000 0.439 287 V N 1.621 121.590 119.914 0.092 0.000 2.332 287 V HA -0.265 3.852 4.120 -0.005 0.000 0.248 287 V C 2.605 178.742 176.094 0.072 0.000 1.055 287 V CA 1.597 63.943 62.300 0.076 0.000 1.038 287 V CB -1.142 30.733 31.823 0.088 0.000 0.651 287 V HN 0.628 nan 8.190 nan 0.000 0.450 288 C N 0.864 120.224 119.300 0.099 0.000 2.398 288 C HA -0.152 4.305 4.460 -0.005 0.000 0.282 288 C C 2.987 177.992 174.990 0.024 0.000 1.275 288 C CA 1.563 60.621 59.018 0.066 0.000 1.797 288 C CB -1.379 26.392 27.740 0.053 0.000 1.991 288 C HN 0.782 nan 8.230 nan 0.000 0.505 289 S N 0.818 116.531 115.700 0.022 0.000 2.558 289 S HA -0.017 4.449 4.470 -0.005 0.000 0.217 289 S C 1.535 176.140 174.600 0.008 0.000 0.975 289 S CA 0.249 58.452 58.200 0.005 0.000 0.912 289 S CB -0.363 62.840 63.200 0.005 0.000 0.776 289 S HN 0.876 nan 8.310 nan 0.000 0.526 290 R N -0.441 120.068 120.500 0.015 0.000 2.446 290 R HA 0.386 4.723 4.340 -0.005 0.000 0.254 290 R C -0.392 175.913 176.300 0.008 0.000 0.918 290 R CA -0.633 55.473 56.100 0.010 0.000 1.069 290 R CB -0.314 29.991 30.300 0.010 0.000 1.194 290 R HN 0.194 nan 8.270 nan 0.000 0.534 291 L N 3.164 124.395 121.223 0.014 0.000 2.525 291 L HA 0.050 4.386 4.340 -0.005 0.000 0.278 291 L C 1.179 178.052 176.870 0.004 0.000 1.218 291 L CA 0.984 55.831 54.840 0.011 0.000 0.878 291 L CB 1.492 43.564 42.059 0.021 0.000 1.127 291 L HN 0.382 nan 8.230 nan 0.000 0.492 292 T N -2.323 112.229 114.554 -0.003 0.000 2.999 292 T HA 0.155 4.502 4.350 -0.005 0.000 0.247 292 T C 0.721 175.415 174.700 -0.010 0.000 1.012 292 T CA 0.058 62.156 62.100 -0.004 0.000 1.048 292 T CB 0.181 69.045 68.868 -0.007 0.000 1.020 292 T HN 0.475 nan 8.240 nan 0.000 0.478 293 T N 2.685 117.222 114.554 -0.028 0.000 2.807 293 T HA 0.723 5.070 4.350 -0.005 0.000 0.279 293 T C -1.627 173.039 174.700 -0.057 0.000 0.993 293 T CA -0.576 61.489 62.100 -0.058 0.000 0.970 293 T CB 1.900 70.703 68.868 -0.109 0.000 0.950 293 T HN 0.272 nan 8.240 nan 0.000 0.441 294 L N 3.813 125.003 121.223 -0.055 0.000 2.438 294 L HA 0.720 5.056 4.340 -0.005 0.000 0.270 294 L C -1.281 175.552 176.870 -0.061 0.000 0.972 294 L CA -0.581 54.241 54.840 -0.029 0.000 0.831 294 L CB 1.922 43.987 42.059 0.010 0.000 1.273 294 L HN 0.516 nan 8.230 nan 0.000 0.405 295 N N 5.050 123.700 118.700 -0.083 0.000 2.518 295 N HA 0.387 5.124 4.740 -0.005 0.000 0.254 295 N C -0.831 174.650 175.510 -0.048 0.000 0.979 295 N CA -0.338 52.639 53.050 -0.122 0.000 0.930 295 N CB 0.871 39.131 38.487 -0.379 0.000 1.152 295 N HN 0.782 nan 8.380 nan 0.000 0.505 296 L N 2.181 123.386 121.223 -0.030 0.000 2.872 296 L HA 0.256 4.593 4.340 -0.005 0.000 0.245 296 L C 1.404 178.208 176.870 -0.111 0.000 1.211 296 L CA -0.082 54.710 54.840 -0.080 0.000 1.013 296 L CB 0.074 42.063 42.059 -0.117 0.000 1.326 296 L HN 0.431 nan 8.230 nan 0.000 0.525 297 S N -0.441 115.117 115.700 -0.237 0.000 2.419 297 S HA -0.155 4.312 4.470 -0.005 0.000 0.235 297 S C 1.315 175.723 174.600 -0.321 0.000 1.019 297 S CA 1.443 59.428 58.200 -0.357 0.000 0.982 297 S CB -0.216 62.584 63.200 -0.668 0.000 0.789 297 S HN 0.534 nan 8.310 nan 0.000 0.490 298 Y N 0.604 120.822 120.300 -0.136 0.000 2.468 298 Y HA 0.510 5.057 4.550 -0.005 0.000 0.268 298 Y C 0.750 176.635 175.900 -0.025 0.000 1.177 298 Y CA -0.552 57.463 58.100 -0.142 0.000 1.265 298 Y CB 0.221 38.425 38.460 -0.428 0.000 1.103 298 Y HN 0.132 nan 8.280 nan 0.000 0.522 299 A N 0.706 123.583 122.820 0.095 0.000 2.288 299 A HA 0.413 4.730 4.320 -0.005 0.000 0.320 299 A C 0.803 178.453 177.584 0.111 0.000 1.217 299 A CA -0.426 51.663 52.037 0.086 0.000 0.840 299 A CB 0.243 19.221 19.000 -0.035 0.000 1.179 299 A HN 0.298 nan 8.150 nan 0.000 0.504 300 T N 0.347 114.957 114.554 0.094 0.000 3.223 300 T HA 0.240 4.587 4.350 -0.005 0.000 0.259 300 T C 0.440 174.983 174.700 -0.261 0.000 1.015 300 T CA -0.133 61.985 62.100 0.030 0.000 0.908 300 T CB -0.680 68.246 68.868 0.097 0.000 1.054 300 T HN 0.346 nan 8.240 nan 0.000 0.567 301 V N 2.798 122.640 119.914 -0.119 0.000 2.872 301 V HA 0.006 4.123 4.120 -0.005 0.000 0.302 301 V C 0.638 176.613 176.094 -0.200 0.000 1.166 301 V CA 0.483 62.707 62.300 -0.128 0.000 1.298 301 V CB 0.466 32.245 31.823 -0.072 0.000 0.894 301 V HN 0.589 nan 8.190 nan 0.000 0.509 302 Q N 2.437 122.144 119.800 -0.154 0.000 2.189 302 Q HA 0.265 4.601 4.340 -0.005 0.000 0.193 302 Q C 1.427 177.430 176.000 0.006 0.000 1.034 302 Q CA 0.215 55.949 55.803 -0.116 0.000 1.062 302 Q CB 0.484 29.174 28.738 -0.078 0.000 1.118 302 Q HN 0.788 nan 8.270 nan 0.000 0.569 303 S N -0.508 115.229 115.700 0.061 0.000 2.343 303 S HA -0.197 4.270 4.470 -0.005 0.000 0.219 303 S C 1.786 176.452 174.600 0.110 0.000 1.033 303 S CA 1.324 59.580 58.200 0.094 0.000 1.014 303 S CB -0.431 62.834 63.200 0.107 0.000 0.915 303 S HN 0.559 nan 8.310 nan 0.000 0.435 304 Y N 2.948 123.250 120.300 0.003 0.000 2.102 304 Y HA -0.237 4.308 4.550 -0.008 0.000 0.280 304 Y C 2.057 177.961 175.900 0.006 0.000 1.178 304 Y CA 2.250 60.352 58.100 0.002 0.000 1.146 304 Y CB -0.973 37.487 38.460 -0.000 0.000 0.968 304 Y HN 0.368 nan 8.280 nan 0.000 0.504 305 D N 0.122 120.496 120.400 -0.043 0.000 2.127 305 D HA -0.270 4.366 4.640 -0.005 0.000 0.190 305 D C 2.406 178.644 176.300 -0.103 0.000 1.000 305 D CA 2.167 56.112 54.000 -0.092 0.000 0.839 305 D CB -0.767 40.019 40.800 -0.024 0.000 0.955 305 D HN 0.403 nan 8.370 nan 0.000 0.446 306 L N 0.708 121.895 121.223 -0.059 0.000 2.042 306 L HA -0.186 4.151 4.340 -0.005 0.000 0.210 306 L C 2.755 179.577 176.870 -0.080 0.000 1.076 306 L CA 0.691 55.497 54.840 -0.057 0.000 0.749 306 L CB -0.515 41.535 42.059 -0.015 0.000 0.893 306 L HN -0.064 nan 8.230 nan 0.000 0.432 307 V N -0.085 119.773 119.914 -0.093 0.000 2.252 307 V HA -0.362 3.755 4.120 -0.005 0.000 0.249 307 V C 2.566 178.538 176.094 -0.204 0.000 1.056 307 V CA 1.956 64.186 62.300 -0.118 0.000 1.022 307 V CB -0.572 31.203 31.823 -0.080 0.000 0.641 307 V HN 0.425 nan 8.190 nan 0.000 0.445 308 K N -0.578 119.620 120.400 -0.337 0.000 2.044 308 K HA -0.227 4.090 4.320 -0.005 0.000 0.210 308 K C 2.204 178.639 176.600 -0.275 0.000 1.049 308 K CA 1.807 57.892 56.287 -0.336 0.000 0.927 308 K CB -0.482 31.813 32.500 -0.342 0.000 0.713 308 K HN 0.344 nan 8.250 nan 0.000 0.443 309 L N 1.091 122.234 121.223 -0.133 0.000 2.043 309 L HA -0.245 4.092 4.340 -0.005 0.000 0.212 309 L C 2.218 179.009 176.870 -0.132 0.000 1.075 309 L CA 1.344 56.136 54.840 -0.080 0.000 0.752 309 L CB -0.127 41.932 42.059 0.000 0.000 0.891 309 L HN 0.223 nan 8.230 nan 0.000 0.432 310 L N -1.682 119.474 121.223 -0.111 0.000 2.179 310 L HA -0.183 4.153 4.340 -0.005 0.000 0.208 310 L C 2.573 179.389 176.870 -0.091 0.000 1.096 310 L CA 0.588 55.380 54.840 -0.079 0.000 0.779 310 L CB -0.544 41.488 42.059 -0.045 0.000 0.922 310 L HN 0.399 nan 8.230 nan 0.000 0.443 311 C N -0.145 119.084 119.300 -0.119 0.000 2.409 311 C HA -0.126 4.331 4.460 -0.005 0.000 0.284 311 C C 2.473 177.391 174.990 -0.120 0.000 1.354 311 C CA 0.203 59.157 59.018 -0.106 0.000 1.787 311 C CB -1.099 26.576 27.740 -0.109 0.000 1.900 311 C HN 0.552 nan 8.230 nan 0.000 0.520 312 Q N -0.365 119.333 119.800 -0.169 0.000 2.482 312 Q HA 0.010 4.346 4.340 -0.005 0.000 0.209 312 Q C 0.992 176.945 176.000 -0.080 0.000 0.961 312 Q CA 0.704 56.413 55.803 -0.156 0.000 0.945 312 Q CB -0.224 28.366 28.738 -0.247 0.000 1.012 312 Q HN 0.726 nan 8.270 nan 0.000 0.515 313 C N 2.369 121.633 119.300 -0.059 0.000 2.534 313 C HA 0.216 4.673 4.460 -0.005 0.000 0.285 313 C C -1.057 173.922 174.990 -0.019 0.000 1.505 313 C CA -1.071 57.930 59.018 -0.029 0.000 1.715 313 C CB -0.217 27.511 27.740 -0.020 0.000 2.935 313 C HN 0.273 nan 8.230 nan 0.000 0.540 314 P HA -0.170 nan 4.420 nan 0.000 0.222 314 P C 0.965 178.261 177.300 -0.007 0.000 1.142 314 P CA 1.505 64.597 63.100 -0.014 0.000 0.788 314 P CB 0.201 31.892 31.700 -0.015 0.000 0.767 315 K N -1.340 119.058 120.400 -0.004 0.000 2.353 315 K HA 0.101 4.418 4.320 -0.005 0.000 0.195 315 K C 0.630 177.232 176.600 0.003 0.000 1.031 315 K CA -0.666 55.620 56.287 -0.000 0.000 1.079 315 K CB -0.137 32.362 32.500 -0.001 0.000 0.857 315 K HN 0.013 nan 8.250 nan 0.000 0.535 316 L N 1.950 123.176 121.223 0.004 0.000 2.720 316 L HA -0.201 4.136 4.340 -0.005 0.000 0.289 316 L C 0.749 177.630 176.870 0.018 0.000 1.232 316 L CA 1.379 56.225 54.840 0.010 0.000 0.915 316 L CB 0.361 42.426 42.059 0.011 0.000 1.184 316 L HN 0.217 nan 8.230 nan 0.000 0.491 317 Q N 3.177 122.991 119.800 0.023 0.000 2.342 317 Q HA 0.248 4.585 4.340 -0.005 0.000 0.261 317 Q C 0.123 176.156 176.000 0.055 0.000 0.841 317 Q CA -0.047 55.774 55.803 0.031 0.000 0.969 317 Q CB 0.923 29.674 28.738 0.022 0.000 1.136 317 Q HN 0.624 nan 8.270 nan 0.000 0.528 318 R N 0.917 121.452 120.500 0.059 0.000 2.561 318 R HA 0.522 4.859 4.340 -0.005 0.000 0.297 318 R C -2.064 174.316 176.300 0.132 0.000 0.969 318 R CA -0.606 55.561 56.100 0.111 0.000 0.879 318 R CB 1.349 31.694 30.300 0.075 0.000 1.178 318 R HN -0.034 nan 8.270 nan 0.000 0.445 319 L N 4.966 126.337 121.223 0.246 0.000 2.441 319 L HA 0.558 4.895 4.340 -0.005 0.000 0.270 319 L C -2.067 175.075 176.870 0.453 0.000 0.973 319 L CA -0.351 54.637 54.840 0.246 0.000 0.842 319 L CB 1.297 43.441 42.059 0.141 0.000 1.239 319 L HN 0.579 nan 8.230 nan 0.000 0.406 320 W N 5.015 126.346 121.300 0.052 0.000 2.573 320 W HA 0.842 5.498 4.660 -0.007 0.000 0.326 320 W C -0.649 175.915 176.519 0.075 0.000 1.049 320 W CA -1.047 56.370 57.345 0.120 0.000 1.220 320 W CB 1.883 31.425 29.460 0.136 0.000 1.373 320 W HN 0.392 nan 8.180 nan 0.000 0.507 321 V N 4.461 124.568 119.914 0.323 0.000 3.023 321 V HA 0.411 4.528 4.120 -0.005 0.000 0.294 321 V C -0.503 175.674 176.094 0.139 0.000 1.324 321 V CA -1.062 61.337 62.300 0.164 0.000 0.979 321 V CB 1.459 33.345 31.823 0.104 0.000 1.093 321 V HN 0.460 nan 8.190 nan 0.000 0.434 322 L N 3.424 124.690 121.223 0.072 0.000 2.461 322 L HA 0.272 4.609 4.340 -0.005 0.000 0.259 322 L C 1.350 178.157 176.870 -0.106 0.000 1.248 322 L CA 0.285 55.100 54.840 -0.042 0.000 0.823 322 L CB 0.242 42.238 42.059 -0.106 0.000 1.111 322 L HN 0.926 nan 8.230 nan 0.000 0.516 323 D N -1.957 118.274 120.400 -0.281 0.000 2.347 323 D HA -0.164 4.472 4.640 -0.005 0.000 0.215 323 D C 1.699 177.922 176.300 -0.128 0.000 0.976 323 D CA 0.867 54.725 54.000 -0.236 0.000 0.884 323 D CB -0.377 40.245 40.800 -0.296 0.000 0.915 323 D HN 0.542 nan 8.370 nan 0.000 0.526 324 Y N 0.600 120.880 120.300 -0.034 0.000 2.283 324 Y HA -0.243 4.303 4.550 -0.006 0.000 0.285 324 Y C 2.395 178.292 175.900 -0.005 0.000 1.176 324 Y CA 0.556 58.646 58.100 -0.016 0.000 1.229 324 Y CB -0.373 38.081 38.460 -0.011 0.000 0.975 324 Y HN 0.047 nan 8.280 nan 0.000 0.537 325 I N 0.079 120.727 120.570 0.130 0.000 2.151 325 I HA -0.294 3.873 4.170 -0.005 0.000 0.243 325 I C 0.686 176.848 176.117 0.075 0.000 1.080 325 I CA 1.439 62.792 61.300 0.087 0.000 1.339 325 I CB -0.155 37.881 38.000 0.061 0.000 1.039 325 I HN 0.338 nan 8.210 nan 0.000 0.409 326 E N -0.355 119.878 120.200 0.054 0.000 9.197 326 E HA -0.218 4.129 4.350 -0.005 0.000 0.478 326 E C 0.141 176.777 176.600 0.060 0.000 1.409 326 E CA 0.474 56.903 56.400 0.049 0.000 2.454 326 E CB -0.801 28.935 29.700 0.060 0.000 1.029 326 E HN 0.375 nan 8.360 nan 0.000 0.289 327 D N 0.132 120.567 120.400 0.058 0.000 2.097 327 D HA -0.155 4.482 4.640 -0.005 0.000 0.195 327 D C 1.859 178.191 176.300 0.054 0.000 0.989 327 D CA 1.902 55.940 54.000 0.063 0.000 0.827 327 D CB -0.481 40.351 40.800 0.053 0.000 0.966 327 D HN 0.501 nan 8.370 nan 0.000 0.456 328 A N 1.501 124.351 122.820 0.050 0.000 1.859 328 A HA -0.164 4.152 4.320 -0.005 0.000 0.217 328 A C 2.458 180.075 177.584 0.055 0.000 1.198 328 A CA 2.812 54.879 52.037 0.050 0.000 0.629 328 A CB -1.471 17.561 19.000 0.053 0.000 0.830 328 A HN 0.303 nan 8.150 nan 0.000 0.446 329 G N -0.336 108.501 108.800 0.062 0.000 2.703 329 G HA2 -0.331 3.626 3.960 -0.005 0.000 0.222 329 G HA3 -0.331 3.626 3.960 -0.005 0.000 0.222 329 G C 1.526 176.455 174.900 0.048 0.000 1.183 329 G CA 1.510 46.644 45.100 0.057 0.000 0.775 329 G HN 0.486 nan 8.290 nan 0.000 0.615 330 L N -0.326 120.930 121.223 0.056 0.000 2.270 330 L HA 0.133 4.470 4.340 -0.005 0.000 0.210 330 L C 2.699 179.591 176.870 0.037 0.000 1.104 330 L CA 0.523 55.395 54.840 0.055 0.000 0.804 330 L CB -0.242 41.865 42.059 0.081 0.000 0.937 330 L HN 0.324 nan 8.230 nan 0.000 0.450 331 E N 0.110 120.331 120.200 0.034 0.000 2.085 331 E HA -0.210 4.137 4.350 -0.005 0.000 0.194 331 E C 2.202 178.813 176.600 0.018 0.000 0.994 331 E CA 1.406 57.819 56.400 0.022 0.000 0.801 331 E CB 0.169 29.883 29.700 0.023 0.000 0.743 331 E HN 0.246 nan 8.360 nan 0.000 0.453 332 V N 1.208 121.135 119.914 0.022 0.000 2.223 332 V HA -0.286 3.831 4.120 -0.005 0.000 0.244 332 V C 2.479 178.578 176.094 0.007 0.000 1.045 332 V CA 1.710 64.018 62.300 0.014 0.000 1.000 332 V CB -0.569 31.263 31.823 0.015 0.000 0.635 332 V HN 0.330 nan 8.190 nan 0.000 0.445 333 L N 0.624 121.854 121.223 0.012 0.000 2.113 333 L HA -0.316 4.021 4.340 -0.005 0.000 0.221 333 L C 2.371 179.246 176.870 0.010 0.000 1.084 333 L CA 2.734 57.581 54.840 0.013 0.000 0.787 333 L CB -0.802 41.273 42.059 0.027 0.000 0.893 333 L HN 0.308 nan 8.230 nan 0.000 0.440 334 A N -1.682 121.144 122.820 0.010 0.000 1.930 334 A HA -0.173 4.144 4.320 -0.005 0.000 0.217 334 A C 2.404 179.988 177.584 -0.001 0.000 1.175 334 A CA 1.973 54.012 52.037 0.004 0.000 0.627 334 A CB -0.860 18.141 19.000 0.002 0.000 0.815 334 A HN 0.662 nan 8.150 nan 0.000 0.443 335 S N -1.319 114.380 115.700 -0.001 0.000 2.388 335 S HA -0.093 4.374 4.470 -0.005 0.000 0.223 335 S C 1.884 176.480 174.600 -0.006 0.000 1.034 335 S CA 1.506 59.703 58.200 -0.004 0.000 0.963 335 S CB -1.016 62.182 63.200 -0.004 0.000 0.827 335 S HN 0.432 nan 8.310 nan 0.000 0.481 336 T N 1.779 116.328 114.554 -0.007 0.000 2.674 336 T HA -0.051 4.296 4.350 -0.005 0.000 0.265 336 T C 0.994 175.688 174.700 -0.009 0.000 1.039 336 T CA 1.427 63.520 62.100 -0.012 0.000 1.150 336 T CB -0.661 68.197 68.868 -0.018 0.000 0.864 336 T HN 0.492 nan 8.240 nan 0.000 0.427 337 C N 2.845 122.143 119.300 -0.004 0.000 2.478 337 C HA 0.409 4.866 4.460 -0.005 0.000 0.471 337 C C 1.455 176.446 174.990 0.002 0.000 1.146 337 C CA -1.196 57.822 59.018 0.000 0.000 1.532 337 C CB -0.959 26.785 27.740 0.007 0.000 1.622 337 C HN 0.310 nan 8.230 nan 0.000 0.568 338 K N 1.150 121.550 120.400 -0.001 0.000 2.520 338 K HA -0.132 4.184 4.320 -0.005 0.000 0.197 338 K C 1.289 177.890 176.600 0.002 0.000 1.044 338 K CA 1.093 57.380 56.287 -0.001 0.000 0.938 338 K CB -0.206 32.291 32.500 -0.004 0.000 0.767 338 K HN 0.524 nan 8.250 nan 0.000 0.481 339 D N -0.786 119.616 120.400 0.004 0.000 2.369 339 D HA 0.012 4.649 4.640 -0.005 0.000 0.211 339 D C -0.591 175.718 176.300 0.015 0.000 1.077 339 D CA -0.245 53.760 54.000 0.008 0.000 0.842 339 D CB 0.141 40.944 40.800 0.006 0.000 0.947 339 D HN -0.057 nan 8.370 nan 0.000 0.509 340 L N 1.344 122.578 121.223 0.018 0.000 2.559 340 L HA 0.053 4.390 4.340 -0.005 0.000 0.274 340 L C 1.231 178.121 176.870 0.033 0.000 1.205 340 L CA 0.679 55.537 54.840 0.030 0.000 0.907 340 L CB 0.490 42.568 42.059 0.032 0.000 1.153 340 L HN -0.087 nan 8.230 nan 0.000 0.490 341 R N 2.790 123.317 120.500 0.045 0.000 2.221 341 R HA 0.241 4.578 4.340 -0.005 0.000 0.195 341 R C -0.139 176.199 176.300 0.064 0.000 0.956 341 R CA 0.300 56.429 56.100 0.048 0.000 1.064 341 R CB 0.105 30.433 30.300 0.047 0.000 1.049 341 R HN 0.759 nan 8.270 nan 0.000 0.534 342 E N 0.745 120.998 120.200 0.087 0.000 2.304 342 E HA 0.326 4.673 4.350 -0.005 0.000 0.277 342 E C -1.763 174.914 176.600 0.128 0.000 0.898 342 E CA -0.624 55.840 56.400 0.108 0.000 0.764 342 E CB 1.599 31.391 29.700 0.154 0.000 1.216 342 E HN -0.069 nan 8.360 nan 0.000 0.419 343 L N 3.892 125.162 121.223 0.079 0.000 2.386 343 L HA 0.624 4.961 4.340 -0.005 0.000 0.271 343 L C -1.489 175.359 176.870 -0.036 0.000 0.993 343 L CA -0.325 54.558 54.840 0.073 0.000 0.819 343 L CB 1.645 43.743 42.059 0.065 0.000 1.294 343 L HN 0.590 nan 8.230 nan 0.000 0.414 344 R N 4.406 124.843 120.500 -0.104 0.000 2.502 344 R HA 0.672 5.009 4.340 -0.005 0.000 0.300 344 R C -1.641 174.446 176.300 -0.355 0.000 0.984 344 R CA -0.847 54.999 56.100 -0.423 0.000 0.882 344 R CB 2.203 31.960 30.300 -0.905 0.000 1.180 344 R HN 0.455 nan 8.270 nan 0.000 0.444 345 V N 4.742 124.417 119.914 -0.399 0.000 2.384 345 V HA 0.491 4.608 4.120 -0.005 0.000 0.287 345 V C -0.502 175.306 176.094 -0.477 0.000 1.020 345 V CA -0.554 61.562 62.300 -0.306 0.000 0.850 345 V CB 1.021 32.659 31.823 -0.308 0.000 0.987 345 V HN 0.533 nan 8.190 nan 0.000 0.436 346 F N 5.806 125.603 119.950 -0.255 0.000 2.541 346 F HA 0.700 5.224 4.527 -0.005 0.000 0.331 346 F C -2.112 173.348 175.800 -0.568 0.000 1.057 346 F CA -2.384 55.307 58.000 -0.514 0.000 0.975 346 F CB 2.132 40.877 39.000 -0.426 0.000 1.246 346 F HN 0.296 nan 8.300 nan 0.000 0.484 347 P HA 0.197 nan 4.420 nan 0.000 0.287 347 P C -0.333 176.732 177.300 -0.392 0.000 1.270 347 P CA -0.539 62.295 63.100 -0.444 0.000 0.844 347 P CB 1.711 33.127 31.700 -0.473 0.000 1.068 348 S N 0.075 115.517 115.700 -0.430 0.000 2.486 348 S HA 0.113 4.579 4.470 -0.005 0.000 0.220 348 S C 0.428 174.862 174.600 -0.278 0.000 1.011 348 S CA 0.282 58.221 58.200 -0.434 0.000 0.921 348 S CB -0.337 62.330 63.200 -0.888 0.000 0.785 348 S HN 0.573 nan 8.310 nan 0.000 0.517 349 E N 1.131 121.163 120.200 -0.280 0.000 2.934 349 E HA 0.227 4.574 4.350 -0.005 0.000 0.343 349 E C -2.639 173.785 176.600 -0.294 0.000 1.148 349 E CA -1.057 55.200 56.400 -0.239 0.000 0.803 349 E CB 1.638 31.260 29.700 -0.130 0.000 1.541 349 E HN 0.199 nan 8.360 nan 0.000 0.380 350 P HA -0.010 nan 4.420 nan 0.000 0.236 350 P C 0.263 177.377 177.300 -0.310 0.000 1.177 350 P CA 0.572 63.395 63.100 -0.461 0.000 0.773 350 P CB 0.064 31.416 31.700 -0.580 0.000 0.878 351 F N -0.200 119.734 119.950 -0.027 0.000 2.873 351 F HA 0.226 4.751 4.527 -0.005 0.000 0.289 351 F C 0.171 175.959 175.800 -0.020 0.000 1.206 351 F CA -0.540 57.447 58.000 -0.022 0.000 1.401 351 F CB 0.170 39.161 39.000 -0.016 0.000 0.996 351 F HN -0.347 nan 8.300 nan 0.000 0.511 352 V N 1.611 121.571 119.914 0.077 0.000 2.509 352 V HA 0.098 4.215 4.120 -0.005 0.000 0.289 352 V C 0.610 176.710 176.094 0.010 0.000 1.026 352 V CA -0.638 61.684 62.300 0.038 0.000 0.872 352 V CB 1.691 33.522 31.823 0.013 0.000 1.017 352 V HN 0.266 nan 8.190 nan 0.000 0.436 353 M N 0.890 120.499 119.600 0.015 0.000 2.562 353 M HA 0.216 4.693 4.480 -0.005 0.000 0.257 353 M C 0.601 176.892 176.300 -0.016 0.000 1.099 353 M CA 0.774 56.073 55.300 -0.002 0.000 1.099 353 M CB -0.246 32.354 32.600 0.000 0.000 1.427 353 M HN 0.505 nan 8.290 nan 0.000 0.489 354 E N 1.375 121.568 120.200 -0.012 0.000 2.156 354 E HA 0.367 4.714 4.350 -0.005 0.000 0.279 354 E C -2.189 174.398 176.600 -0.022 0.000 0.965 354 E CA -1.925 54.465 56.400 -0.017 0.000 0.789 354 E CB 1.247 30.942 29.700 -0.008 0.000 1.098 354 E HN 0.046 nan 8.360 nan 0.000 0.397 355 P HA -0.038 nan 4.420 nan 0.000 0.265 355 P C 0.524 177.813 177.300 -0.019 0.000 1.187 355 P CA 0.235 63.313 63.100 -0.036 0.000 0.766 355 P CB 0.609 32.286 31.700 -0.040 0.000 0.820 356 N N 1.181 119.869 118.700 -0.019 0.000 2.332 356 N HA 0.009 4.745 4.740 -0.005 0.000 0.190 356 N C 0.189 175.721 175.510 0.036 0.000 1.117 356 N CA 0.327 53.386 53.050 0.014 0.000 0.883 356 N CB -0.250 38.254 38.487 0.028 0.000 1.089 356 N HN 0.267 nan 8.380 nan 0.000 0.480 357 V N -2.740 117.177 119.914 0.005 0.000 3.177 357 V HA 0.889 5.006 4.120 -0.005 0.000 0.319 357 V C 0.183 176.277 176.094 0.001 0.000 1.125 357 V CA -0.946 61.370 62.300 0.026 0.000 1.029 357 V CB 1.149 32.975 31.823 0.004 0.000 1.119 357 V HN 0.139 nan 8.190 nan 0.000 0.452 358 A N 1.847 124.675 122.820 0.013 0.000 3.290 358 A HA 0.647 4.963 4.320 -0.005 0.000 0.297 358 A C -0.288 177.297 177.584 0.002 0.000 1.285 358 A CA -0.155 51.884 52.037 0.004 0.000 1.060 358 A CB -0.877 18.133 19.000 0.015 0.000 1.114 358 A HN 0.954 nan 8.150 nan 0.000 0.601 359 L N 2.138 123.347 121.223 -0.023 0.000 2.257 359 L HA 0.553 4.889 4.340 -0.005 0.000 0.290 359 L C 0.623 177.491 176.870 -0.003 0.000 1.044 359 L CA 0.186 55.015 54.840 -0.020 0.000 0.810 359 L CB 1.248 43.254 42.059 -0.088 0.000 1.193 359 L HN 0.596 nan 8.230 nan 0.000 0.425 360 T N -0.111 114.473 114.554 0.050 0.000 2.718 360 T HA 0.331 4.677 4.350 -0.005 0.000 0.267 360 T C 0.908 175.697 174.700 0.149 0.000 0.957 360 T CA -0.079 62.053 62.100 0.053 0.000 1.025 360 T CB 0.840 69.717 68.868 0.014 0.000 1.355 360 T HN 0.567 nan 8.240 nan 0.000 0.572 361 E N 0.327 120.595 120.200 0.113 0.000 2.150 361 E HA -0.229 4.118 4.350 -0.005 0.000 0.193 361 E C 1.875 178.505 176.600 0.049 0.000 0.985 361 E CA 1.338 57.796 56.400 0.098 0.000 0.814 361 E CB -0.664 29.085 29.700 0.083 0.000 0.752 361 E HN 0.618 nan 8.360 nan 0.000 0.466 362 Q N 1.577 121.414 119.800 0.062 0.000 2.152 362 Q HA -0.104 4.232 4.340 -0.005 0.000 0.206 362 Q C 2.101 178.117 176.000 0.027 0.000 0.985 362 Q CA 2.301 58.125 55.803 0.035 0.000 0.863 362 Q CB -1.079 27.684 28.738 0.041 0.000 0.904 362 Q HN 0.400 nan 8.270 nan 0.000 0.422 363 G N 1.009 109.857 108.800 0.079 0.000 2.672 363 G HA2 -0.333 3.623 3.960 -0.005 0.000 0.218 363 G HA3 -0.333 3.623 3.960 -0.005 0.000 0.218 363 G C 1.385 176.285 174.900 -0.000 0.000 1.238 363 G CA 1.037 46.203 45.100 0.110 0.000 0.791 363 G HN 0.439 nan 8.290 nan 0.000 0.606 364 L N 0.387 121.492 121.223 -0.198 0.000 2.127 364 L HA -0.124 4.212 4.340 -0.005 0.000 0.211 364 L C 3.052 179.800 176.870 -0.204 0.000 1.089 364 L CA 0.900 55.478 54.840 -0.437 0.000 0.757 364 L CB -0.194 41.309 42.059 -0.926 0.000 0.899 364 L HN 0.180 nan 8.230 nan 0.000 0.434 365 V N -1.197 118.636 119.914 -0.135 0.000 2.261 365 V HA -0.293 3.824 4.120 -0.005 0.000 0.246 365 V C 2.539 178.592 176.094 -0.068 0.000 1.047 365 V CA 1.912 64.156 62.300 -0.093 0.000 1.015 365 V CB -0.545 31.240 31.823 -0.064 0.000 0.642 365 V HN 0.404 nan 8.190 nan 0.000 0.446 366 S N 0.081 115.755 115.700 -0.043 0.000 2.389 366 S HA -0.247 4.220 4.470 -0.005 0.000 0.229 366 S C 2.025 176.608 174.600 -0.029 0.000 1.048 366 S CA 1.977 60.162 58.200 -0.025 0.000 1.117 366 S CB -0.480 62.718 63.200 -0.004 0.000 1.020 366 S HN 0.362 nan 8.310 nan 0.000 0.430 367 V N 2.153 122.049 119.914 -0.030 0.000 2.380 367 V HA -0.206 3.911 4.120 -0.005 0.000 0.251 367 V C 2.659 178.735 176.094 -0.031 0.000 1.063 367 V CA 2.037 64.324 62.300 -0.021 0.000 1.055 367 V CB -1.147 30.667 31.823 -0.015 0.000 0.657 367 V HN 0.736 nan 8.190 nan 0.000 0.455 368 S N 0.223 115.892 115.700 -0.051 0.000 2.383 368 S HA -0.184 4.283 4.470 -0.005 0.000 0.227 368 S C 1.954 176.522 174.600 -0.053 0.000 1.026 368 S CA 1.609 59.776 58.200 -0.055 0.000 0.981 368 S CB -0.404 62.749 63.200 -0.079 0.000 0.818 368 S HN 0.526 nan 8.310 nan 0.000 0.472 369 M N 1.359 120.927 119.600 -0.053 0.000 2.175 369 M HA 0.086 4.563 4.480 -0.005 0.000 0.264 369 M C 2.454 178.734 176.300 -0.034 0.000 1.063 369 M CA 1.693 56.965 55.300 -0.047 0.000 1.119 369 M CB -1.721 30.853 32.600 -0.043 0.000 1.377 369 M HN 0.549 nan 8.290 nan 0.000 0.415 370 G N -0.077 108.707 108.800 -0.026 0.000 2.623 370 G HA2 0.009 3.966 3.960 -0.005 0.000 0.214 370 G HA3 0.009 3.966 3.960 -0.005 0.000 0.214 370 G C 0.232 175.124 174.900 -0.013 0.000 1.138 370 G CA 0.038 45.128 45.100 -0.017 0.000 0.794 370 G HN 0.516 nan 8.290 nan 0.000 0.535 371 C N 1.167 120.459 119.300 -0.014 0.000 2.492 371 C HA 0.367 4.823 4.460 -0.005 0.000 0.284 371 C C -1.340 173.645 174.990 -0.009 0.000 1.082 371 C CA -1.411 57.602 59.018 -0.007 0.000 1.555 371 C CB 1.264 29.004 27.740 0.001 0.000 1.798 371 C HN 0.137 nan 8.230 nan 0.000 0.413 372 P HA -0.182 nan 4.420 nan 0.000 0.219 372 P C 1.216 178.511 177.300 -0.008 0.000 1.145 372 P CA 1.522 64.614 63.100 -0.013 0.000 0.813 372 P CB 0.130 31.823 31.700 -0.011 0.000 0.771 373 K N -1.789 118.610 120.400 -0.001 0.000 2.413 373 K HA 0.196 4.513 4.320 -0.005 0.000 0.204 373 K C 0.486 177.094 176.600 0.014 0.000 1.041 373 K CA -0.374 55.917 56.287 0.006 0.000 1.082 373 K CB 0.257 32.762 32.500 0.008 0.000 0.871 373 K HN 0.228 nan 8.250 nan 0.000 0.535 374 L N 3.037 124.268 121.223 0.013 0.000 2.584 374 L HA -0.083 4.253 4.340 -0.005 0.000 0.272 374 L C 1.215 178.103 176.870 0.029 0.000 1.195 374 L CA 0.981 55.836 54.840 0.024 0.000 0.920 374 L CB 0.332 42.402 42.059 0.018 0.000 1.173 374 L HN 0.383 nan 8.230 nan 0.000 0.489 375 E N 1.673 121.899 120.200 0.043 0.000 2.568 375 E HA 0.064 4.411 4.350 -0.005 0.000 0.220 375 E C 0.139 176.783 176.600 0.073 0.000 0.869 375 E CA -0.348 56.082 56.400 0.050 0.000 1.268 375 E CB 0.623 30.346 29.700 0.039 0.000 1.252 375 E HN 0.403 nan 8.360 nan 0.000 0.606 376 S N 0.693 116.436 115.700 0.071 0.000 2.473 376 S HA 0.612 5.079 4.470 -0.005 0.000 0.307 376 S C -1.080 173.547 174.600 0.045 0.000 1.094 376 S CA -0.545 57.697 58.200 0.069 0.000 1.070 376 S CB 1.713 64.953 63.200 0.067 0.000 1.019 376 S HN 0.131 nan 8.310 nan 0.000 0.480 377 V N 5.121 125.044 119.914 0.015 0.000 2.841 377 V HA 0.705 4.822 4.120 -0.005 0.000 0.310 377 V C -1.439 174.535 176.094 -0.201 0.000 1.090 377 V CA -0.799 61.456 62.300 -0.075 0.000 0.930 377 V CB 1.932 33.721 31.823 -0.056 0.000 1.014 377 V HN 0.787 nan 8.190 nan 0.000 0.425 378 L N 5.444 126.530 121.223 -0.228 0.000 2.491 378 L HA 0.622 4.959 4.340 -0.005 0.000 0.267 378 L C -2.039 174.681 176.870 -0.250 0.000 0.971 378 L CA -0.588 54.066 54.840 -0.310 0.000 0.857 378 L CB 1.190 43.020 42.059 -0.381 0.000 1.226 378 L HN 0.689 nan 8.230 nan 0.000 0.408 379 Y N 5.210 125.253 120.300 -0.428 0.000 2.354 379 Y HA 0.661 5.207 4.550 -0.005 0.000 0.330 379 Y C -1.664 174.072 175.900 -0.273 0.000 1.011 379 Y CA -0.760 57.174 58.100 -0.278 0.000 1.099 379 Y CB 1.644 39.940 38.460 -0.273 0.000 1.179 379 Y HN 0.487 nan 8.280 nan 0.000 0.442 380 F N 5.995 125.621 119.950 -0.539 0.000 2.332 380 F HA 0.505 5.028 4.527 -0.006 0.000 0.368 380 F C 0.235 175.782 175.800 -0.423 0.000 1.110 380 F CA -0.882 56.899 58.000 -0.365 0.000 1.087 380 F CB 0.324 39.146 39.000 -0.297 0.000 1.235 380 F HN 0.597 nan 8.300 nan 0.000 0.470 381 C N 1.397 120.634 119.300 -0.103 0.000 3.017 381 C HA 0.636 5.093 4.460 -0.005 0.000 0.380 381 C C 1.253 176.227 174.990 -0.027 0.000 1.583 381 C CA -0.976 58.000 59.018 -0.070 0.000 1.616 381 C CB 2.018 29.774 27.740 0.028 0.000 2.145 381 C HN 0.851 nan 8.230 nan 0.000 0.466 382 R N 0.423 120.898 120.500 -0.041 0.000 2.397 382 R HA 0.219 4.556 4.340 -0.005 0.000 0.241 382 R C -0.077 176.189 176.300 -0.058 0.000 0.914 382 R CA 0.256 56.328 56.100 -0.047 0.000 1.071 382 R CB 0.219 30.478 30.300 -0.068 0.000 1.116 382 R HN 0.907 nan 8.270 nan 0.000 0.524 383 Q N -0.326 119.442 119.800 -0.053 0.000 2.578 383 Q HA 0.528 4.865 4.340 -0.005 0.000 0.284 383 Q C -1.531 174.486 176.000 0.028 0.000 0.960 383 Q CA -1.055 54.696 55.803 -0.087 0.000 0.809 383 Q CB 1.779 30.282 28.738 -0.392 0.000 1.462 383 Q HN -0.081 nan 8.270 nan 0.000 0.392 384 M N 0.956 120.657 119.600 0.169 0.000 2.790 384 M HA 0.604 5.081 4.480 -0.005 0.000 0.272 384 M C -2.061 174.379 176.300 0.232 0.000 1.168 384 M CA 0.292 55.701 55.300 0.181 0.000 0.829 384 M CB 2.504 35.166 32.600 0.104 0.000 1.675 384 M HN 1.018 nan 8.290 nan 0.000 0.505 385 T N -1.064 113.553 114.554 0.104 0.000 2.894 385 T HA 0.532 4.879 4.350 -0.005 0.000 0.309 385 T C -0.024 174.652 174.700 -0.039 0.000 1.208 385 T CA -0.819 61.293 62.100 0.020 0.000 1.016 385 T CB 1.233 70.078 68.868 -0.038 0.000 1.192 385 T HN 0.647 nan 8.240 nan 0.000 0.491 386 N N 0.647 119.316 118.700 -0.051 0.000 2.309 386 N HA -0.055 4.681 4.740 -0.005 0.000 0.182 386 N C 2.180 177.634 175.510 -0.093 0.000 1.018 386 N CA 1.279 54.284 53.050 -0.075 0.000 0.876 386 N CB -0.545 37.915 38.487 -0.044 0.000 0.972 386 N HN 0.813 nan 8.380 nan 0.000 0.434 387 A N 1.502 124.273 122.820 -0.081 0.000 1.883 387 A HA -0.040 4.277 4.320 -0.005 0.000 0.217 387 A C 2.459 179.988 177.584 -0.092 0.000 1.186 387 A CA 2.000 53.987 52.037 -0.083 0.000 0.624 387 A CB -0.894 18.061 19.000 -0.076 0.000 0.822 387 A HN 0.312 nan 8.150 nan 0.000 0.444 388 A N -0.218 122.556 122.820 -0.077 0.000 1.851 388 A HA -0.110 4.207 4.320 -0.005 0.000 0.216 388 A C 2.179 179.683 177.584 -0.134 0.000 1.195 388 A CA 1.677 53.664 52.037 -0.084 0.000 0.622 388 A CB -0.847 18.125 19.000 -0.046 0.000 0.831 388 A HN 0.483 nan 8.150 nan 0.000 0.444 389 L N -0.556 120.567 121.223 -0.167 0.000 2.127 389 L HA -0.214 4.123 4.340 -0.005 0.000 0.211 389 L C 2.484 179.205 176.870 -0.247 0.000 1.089 389 L CA 1.162 55.850 54.840 -0.252 0.000 0.757 389 L CB -0.516 41.322 42.059 -0.368 0.000 0.899 389 L HN 0.418 nan 8.230 nan 0.000 0.434 390 I N -0.845 119.608 120.570 -0.193 0.000 2.133 390 I HA -0.285 3.882 4.170 -0.005 0.000 0.238 390 I C 2.544 178.531 176.117 -0.217 0.000 1.074 390 I CA 1.648 62.834 61.300 -0.190 0.000 1.342 390 I CB -0.506 37.407 38.000 -0.145 0.000 1.053 390 I HN 0.232 nan 8.210 nan 0.000 0.404 391 T N 1.391 115.839 114.554 -0.176 0.000 2.607 391 T HA -0.225 4.122 4.350 -0.005 0.000 0.267 391 T C 1.891 176.476 174.700 -0.192 0.000 1.049 391 T CA 1.836 63.835 62.100 -0.169 0.000 1.162 391 T CB -0.493 68.300 68.868 -0.125 0.000 0.863 391 T HN 0.187 nan 8.240 nan 0.000 0.424 392 I N 1.463 121.919 120.570 -0.190 0.000 2.181 392 I HA -0.314 3.853 4.170 -0.005 0.000 0.247 392 I C 2.718 178.683 176.117 -0.254 0.000 1.081 392 I CA 1.656 62.832 61.300 -0.207 0.000 1.340 392 I CB -0.399 37.467 38.000 -0.224 0.000 1.036 392 I HN 0.240 nan 8.210 nan 0.000 0.417 393 A N -0.239 122.399 122.820 -0.302 0.000 1.970 393 A HA -0.142 4.175 4.320 -0.005 0.000 0.216 393 A C 2.308 179.673 177.584 -0.366 0.000 1.170 393 A CA 1.306 53.153 52.037 -0.317 0.000 0.645 393 A CB -0.408 18.422 19.000 -0.283 0.000 0.816 393 A HN 0.284 nan 8.150 nan 0.000 0.447 394 R N 0.570 120.830 120.500 -0.401 0.000 2.066 394 R HA -0.086 4.251 4.340 -0.005 0.000 0.232 394 R C 1.695 177.847 176.300 -0.246 0.000 1.131 394 R CA 1.980 57.836 56.100 -0.406 0.000 0.955 394 R CB -0.337 29.776 30.300 -0.312 0.000 0.851 394 R HN 0.516 nan 8.270 nan 0.000 0.432 395 N N 0.280 118.866 118.700 -0.190 0.000 2.188 395 N HA -0.078 4.659 4.740 -0.005 0.000 0.184 395 N C 0.083 175.526 175.510 -0.111 0.000 1.018 395 N CA 1.040 54.011 53.050 -0.131 0.000 0.858 395 N CB 0.098 38.519 38.487 -0.111 0.000 0.989 395 N HN 0.089 nan 8.380 nan 0.000 0.426 396 R N 0.708 121.132 120.500 -0.126 0.000 3.463 396 R HA 0.258 4.595 4.340 -0.005 0.000 0.303 396 R C -1.954 174.296 176.300 -0.083 0.000 1.370 396 R CA -1.424 54.621 56.100 -0.091 0.000 1.524 396 R CB 0.655 30.908 30.300 -0.078 0.000 1.389 396 R HN 0.129 nan 8.270 nan 0.000 0.640 397 P HA -0.139 nan 4.420 nan 0.000 0.226 397 P C 0.686 177.973 177.300 -0.022 0.000 1.146 397 P CA 1.089 64.168 63.100 -0.035 0.000 0.773 397 P CB 0.157 31.846 31.700 -0.018 0.000 0.772 398 N N -2.034 116.653 118.700 -0.023 0.000 2.236 398 N HA 0.048 4.785 4.740 -0.005 0.000 0.196 398 N C 0.595 176.106 175.510 0.002 0.000 1.114 398 N CA -0.128 52.918 53.050 -0.007 0.000 0.859 398 N CB -0.437 38.047 38.487 -0.005 0.000 0.982 398 N HN 0.060 nan 8.380 nan 0.000 0.493 399 M N 2.505 122.101 119.600 -0.008 0.000 2.235 399 M HA -0.057 4.419 4.480 -0.005 0.000 0.336 399 M C 0.912 177.233 176.300 0.035 0.000 1.146 399 M CA 0.864 56.172 55.300 0.013 0.000 1.018 399 M CB 0.571 33.155 32.600 -0.028 0.000 1.694 399 M HN 0.322 nan 8.290 nan 0.000 0.451 400 T N 0.895 115.488 114.554 0.065 0.000 3.028 400 T HA 0.427 4.773 4.350 -0.005 0.000 0.262 400 T C 0.218 174.974 174.700 0.093 0.000 0.916 400 T CA -0.479 61.662 62.100 0.068 0.000 0.873 400 T CB 0.246 69.145 68.868 0.053 0.000 1.232 400 T HN 0.667 nan 8.240 nan 0.000 0.529 401 R N 0.230 120.801 120.500 0.118 0.000 2.514 401 R HA 0.659 4.996 4.340 -0.005 0.000 0.296 401 R C -2.326 174.097 176.300 0.205 0.000 1.012 401 R CA -0.582 55.596 56.100 0.131 0.000 0.897 401 R CB 1.990 32.338 30.300 0.080 0.000 1.184 401 R HN 0.258 nan 8.270 nan 0.000 0.440 402 F N 2.810 122.780 119.950 0.033 0.000 2.612 402 F HA 0.480 5.003 4.527 -0.006 0.000 0.332 402 F C -0.861 174.973 175.800 0.055 0.000 1.167 402 F CA -0.555 57.465 58.000 0.034 0.000 0.970 402 F CB 1.251 40.280 39.000 0.048 0.000 1.234 402 F HN 0.308 nan 8.300 nan 0.000 0.453 403 R N 6.184 126.441 120.500 -0.405 0.000 2.422 403 R HA 0.531 4.868 4.340 -0.005 0.000 0.307 403 R C -1.507 174.498 176.300 -0.493 0.000 1.004 403 R CA -0.882 55.043 56.100 -0.292 0.000 0.882 403 R CB 1.837 32.023 30.300 -0.189 0.000 1.164 403 R HN 0.557 nan 8.270 nan 0.000 0.489 404 L N 2.237 123.245 121.223 -0.359 0.000 2.352 404 L HA 0.676 5.012 4.340 -0.005 0.000 0.269 404 L C -1.031 175.695 176.870 -0.241 0.000 1.034 404 L CA -0.662 54.013 54.840 -0.276 0.000 0.806 404 L CB 1.935 43.955 42.059 -0.065 0.000 1.244 404 L HN 0.788 nan 8.230 nan 0.000 0.447 405 C N 5.589 124.702 119.300 -0.311 0.000 2.887 405 C HA 0.534 4.991 4.460 -0.005 0.000 0.379 405 C C -0.866 173.990 174.990 -0.224 0.000 1.064 405 C CA -0.799 57.991 59.018 -0.380 0.000 1.282 405 C CB -0.574 26.642 27.740 -0.874 0.000 1.749 405 C HN 0.703 nan 8.230 nan 0.000 0.489 406 I N 7.626 128.147 120.570 -0.082 0.000 2.315 406 I HA 0.279 4.445 4.170 -0.005 0.000 0.291 406 I C 1.165 177.267 176.117 -0.025 0.000 1.006 406 I CA -0.682 60.604 61.300 -0.023 0.000 1.265 406 I CB 1.254 39.270 38.000 0.027 0.000 1.387 406 I HN 0.547 nan 8.210 nan 0.000 0.475 407 I N 3.389 123.956 120.570 -0.006 0.000 2.118 407 I HA -0.196 3.971 4.170 -0.005 0.000 0.241 407 I C 1.415 177.521 176.117 -0.020 0.000 1.070 407 I CA 1.480 62.785 61.300 0.008 0.000 1.327 407 I CB -0.909 37.095 38.000 0.007 0.000 1.034 407 I HN 0.652 nan 8.210 nan 0.000 0.405 408 E N 2.979 123.162 120.200 -0.030 0.000 2.200 408 E HA 0.230 4.577 4.350 -0.005 0.000 0.283 408 E C -2.381 174.176 176.600 -0.072 0.000 1.015 408 E CA -1.869 54.501 56.400 -0.050 0.000 0.819 408 E CB 1.804 31.485 29.700 -0.031 0.000 1.081 408 E HN 0.047 nan 8.360 nan 0.000 0.397 409 P HA 0.187 nan 4.420 nan 0.000 0.280 409 P C -0.903 176.345 177.300 -0.087 0.000 1.272 409 P CA -0.336 62.656 63.100 -0.181 0.000 0.819 409 P CB 0.496 31.905 31.700 -0.485 0.000 1.122 410 K N -1.936 118.451 120.400 -0.022 0.000 3.020 410 K HA -0.178 4.139 4.320 -0.005 0.000 0.266 410 K C -0.001 176.625 176.600 0.044 0.000 1.067 410 K CA 0.582 56.894 56.287 0.042 0.000 0.780 410 K CB -2.000 30.533 32.500 0.054 0.000 1.220 410 K HN 0.666 nan 8.250 nan 0.000 0.483 411 A N 1.679 124.522 122.820 0.039 0.000 2.409 411 A HA 0.375 4.691 4.320 -0.005 0.000 0.267 411 A C -1.780 175.856 177.584 0.087 0.000 1.127 411 A CA -1.027 51.042 52.037 0.054 0.000 0.795 411 A CB 0.235 19.260 19.000 0.043 0.000 1.061 411 A HN 0.007 nan 8.150 nan 0.000 0.502 412 P HA 0.103 nan 4.420 nan 0.000 0.279 412 P C -0.498 176.875 177.300 0.121 0.000 1.252 412 P CA -0.535 62.626 63.100 0.100 0.000 0.811 412 P CB 0.564 32.313 31.700 0.082 0.000 1.035 413 D N 1.314 121.776 120.400 0.102 0.000 2.793 413 D HA -0.198 4.439 4.640 -0.005 0.000 0.230 413 D C 0.650 176.994 176.300 0.073 0.000 1.139 413 D CA 0.532 54.580 54.000 0.080 0.000 0.838 413 D CB 0.182 40.990 40.800 0.012 0.000 1.149 413 D HN 0.433 nan 8.370 nan 0.000 0.526 414 Y N 2.920 123.230 120.300 0.018 0.000 2.519 414 Y HA 0.101 4.647 4.550 -0.007 0.000 0.287 414 Y C 1.559 177.466 175.900 0.012 0.000 1.128 414 Y CA -0.034 58.075 58.100 0.016 0.000 1.282 414 Y CB -0.106 38.363 38.460 0.015 0.000 1.027 414 Y HN 0.304 nan 8.280 nan 0.000 0.551 415 L N 0.650 121.445 121.223 -0.713 0.000 2.022 415 L HA -0.071 4.266 4.340 -0.005 0.000 0.204 415 L C 2.735 179.493 176.870 -0.188 0.000 1.076 415 L CA 1.775 56.344 54.840 -0.452 0.000 0.749 415 L CB -0.973 40.811 42.059 -0.458 0.000 0.903 415 L HN 0.378 nan 8.230 nan 0.000 0.439 416 T N -2.991 111.475 114.554 -0.146 0.000 3.023 416 T HA 0.057 4.404 4.350 -0.005 0.000 0.266 416 T C 1.358 176.041 174.700 -0.028 0.000 1.093 416 T CA 0.748 62.806 62.100 -0.069 0.000 1.129 416 T CB 0.111 68.947 68.868 -0.053 0.000 0.899 416 T HN 0.287 nan 8.240 nan 0.000 0.491 417 L N -1.692 119.522 121.223 -0.016 0.000 4.342 417 L HA -0.177 4.159 4.340 -0.005 0.000 0.395 417 L C 0.487 177.378 176.870 0.035 0.000 0.764 417 L CA 0.895 55.748 54.840 0.021 0.000 2.417 417 L CB -1.923 40.150 42.059 0.023 0.000 1.210 417 L HN 0.323 nan 8.230 nan 0.000 0.626 418 E N 2.704 122.921 120.200 0.028 0.000 2.458 418 E HA 0.065 4.412 4.350 -0.005 0.000 0.264 418 E C -1.897 174.743 176.600 0.067 0.000 1.097 418 E CA -0.754 55.673 56.400 0.045 0.000 0.973 418 E CB 0.268 29.991 29.700 0.038 0.000 0.963 418 E HN 0.194 nan 8.360 nan 0.000 0.451 419 P HA 0.005 nan 4.420 nan 0.000 0.277 419 P C -0.051 177.324 177.300 0.125 0.000 1.271 419 P CA 0.025 63.189 63.100 0.106 0.000 0.795 419 P CB 0.600 32.367 31.700 0.111 0.000 1.101 420 L N 0.614 121.936 121.223 0.166 0.000 2.688 420 L HA 0.050 4.386 4.340 -0.005 0.000 0.234 420 L C 1.380 178.406 176.870 0.260 0.000 1.192 420 L CA 0.142 55.101 54.840 0.199 0.000 0.984 420 L CB -0.692 41.538 42.059 0.285 0.000 1.232 420 L HN 0.231 nan 8.230 nan 0.000 0.465 421 D N 1.286 121.828 120.400 0.237 0.000 2.097 421 D HA -0.203 4.434 4.640 -0.005 0.000 0.195 421 D C 2.176 178.685 176.300 0.348 0.000 0.989 421 D CA 1.624 55.814 54.000 0.317 0.000 0.827 421 D CB 0.043 41.016 40.800 0.288 0.000 0.966 421 D HN 0.547 nan 8.370 nan 0.000 0.456 422 I N -0.760 119.945 120.570 0.224 0.000 2.394 422 I HA -0.021 4.146 4.170 -0.005 0.000 0.251 422 I C 2.336 178.422 176.117 -0.053 0.000 1.136 422 I CA 1.446 62.760 61.300 0.022 0.000 1.425 422 I CB -0.963 37.041 38.000 0.006 0.000 1.079 422 I HN -0.140 nan 8.210 nan 0.000 0.425 423 G N 1.891 110.684 108.800 -0.013 0.000 2.679 423 G HA2 -0.303 3.654 3.960 -0.005 0.000 0.217 423 G HA3 -0.303 3.654 3.960 -0.005 0.000 0.217 423 G C 1.391 176.201 174.900 -0.151 0.000 1.267 423 G CA 1.357 46.382 45.100 -0.126 0.000 0.799 423 G HN 0.470 nan 8.290 nan 0.000 0.606 424 F N 1.904 121.847 119.950 -0.012 0.000 2.333 424 F HA 0.056 4.581 4.527 -0.004 0.000 0.300 424 F C 2.835 178.605 175.800 -0.051 0.000 1.083 424 F CA 0.621 58.611 58.000 -0.017 0.000 1.395 424 F CB -0.113 38.902 39.000 0.026 0.000 1.056 424 F HN 0.239 nan 8.300 nan 0.000 0.529 425 G N -0.225 108.620 108.800 0.075 0.000 2.421 425 G HA2 -0.223 3.734 3.960 -0.005 0.000 0.216 425 G HA3 -0.223 3.734 3.960 -0.005 0.000 0.216 425 G C 1.922 176.659 174.900 -0.271 0.000 1.171 425 G CA 0.771 45.760 45.100 -0.185 0.000 0.775 425 G HN 0.414 nan 8.290 nan 0.000 0.543 426 A N 1.133 123.814 122.820 -0.231 0.000 1.883 426 A HA -0.058 4.259 4.320 -0.005 0.000 0.217 426 A C 2.363 179.890 177.584 -0.094 0.000 1.186 426 A CA 1.597 53.551 52.037 -0.138 0.000 0.624 426 A CB -0.402 18.534 19.000 -0.106 0.000 0.822 426 A HN 0.266 nan 8.150 nan 0.000 0.444 427 I N 0.402 120.874 120.570 -0.164 0.000 2.068 427 I HA -0.279 3.887 4.170 -0.005 0.000 0.238 427 I C 2.803 178.852 176.117 -0.113 0.000 1.046 427 I CA 2.231 63.407 61.300 -0.205 0.000 1.306 427 I CB -1.583 36.244 38.000 -0.289 0.000 1.023 427 I HN 0.417 nan 8.210 nan 0.000 0.399 428 V N -1.042 118.841 119.914 -0.052 0.000 2.594 428 V HA -0.215 3.901 4.120 -0.005 0.000 0.253 428 V C 2.307 178.335 176.094 -0.109 0.000 1.069 428 V CA 2.033 64.332 62.300 -0.002 0.000 1.082 428 V CB -0.935 30.959 31.823 0.119 0.000 0.680 428 V HN 0.509 nan 8.190 nan 0.000 0.469 429 E N -0.452 119.509 120.200 -0.398 0.000 2.047 429 E HA -0.224 4.123 4.350 -0.005 0.000 0.191 429 E C 2.248 178.522 176.600 -0.542 0.000 0.987 429 E CA 1.498 57.413 56.400 -0.808 0.000 0.799 429 E CB -0.175 28.798 29.700 -1.211 0.000 0.752 429 E HN 0.806 nan 8.360 nan 0.000 0.449 430 H N -1.142 117.770 119.070 -0.263 0.000 2.497 430 H HA 0.081 4.634 4.556 -0.004 0.000 0.282 430 H C 0.621 175.872 175.328 -0.129 0.000 1.003 430 H CA 0.570 56.506 56.048 -0.186 0.000 1.307 430 H CB 0.182 29.829 29.762 -0.192 0.000 1.437 430 H HN 0.181 nan 8.280 nan 0.000 0.544 431 C N 2.895 122.187 119.300 -0.014 0.000 2.225 431 C HA 0.166 4.623 4.460 -0.005 0.000 0.437 431 C C 1.946 176.934 174.990 -0.003 0.000 1.039 431 C CA -0.861 58.147 59.018 -0.017 0.000 1.406 431 C CB -0.933 26.781 27.740 -0.043 0.000 1.548 431 C HN 0.437 nan 8.230 nan 0.000 0.515 432 K N 1.191 121.591 120.400 -0.001 0.000 2.362 432 K HA -0.161 4.156 4.320 -0.005 0.000 0.202 432 K C 0.798 177.414 176.600 0.026 0.000 1.045 432 K CA 1.237 57.532 56.287 0.012 0.000 0.936 432 K CB 0.104 32.609 32.500 0.008 0.000 0.747 432 K HN 0.648 nan 8.250 nan 0.000 0.467 433 D N 0.535 120.949 120.400 0.024 0.000 2.462 433 D HA -0.015 4.621 4.640 -0.005 0.000 0.221 433 D C -0.371 175.953 176.300 0.041 0.000 1.173 433 D CA -0.258 53.761 54.000 0.032 0.000 0.831 433 D CB 0.271 41.087 40.800 0.027 0.000 1.001 433 D HN 0.072 nan 8.370 nan 0.000 0.499 434 L N 2.784 124.033 121.223 0.044 0.000 2.745 434 L HA -0.089 4.247 4.340 -0.005 0.000 0.273 434 L C 1.567 178.481 176.870 0.074 0.000 1.156 434 L CA 0.584 55.461 54.840 0.062 0.000 0.982 434 L CB 0.043 42.140 42.059 0.064 0.000 1.295 434 L HN 0.028 nan 8.230 nan 0.000 0.483 435 R N 3.687 124.232 120.500 0.075 0.000 2.362 435 R HA 0.246 4.583 4.340 -0.005 0.000 0.227 435 R C 0.346 176.698 176.300 0.086 0.000 0.905 435 R CA -0.245 55.900 56.100 0.074 0.000 1.067 435 R CB 0.294 30.631 30.300 0.062 0.000 1.078 435 R HN 0.585 nan 8.270 nan 0.000 0.516 436 R N 0.480 121.040 120.500 0.101 0.000 2.561 436 R HA 0.411 4.748 4.340 -0.005 0.000 0.266 436 R C -2.317 174.067 176.300 0.141 0.000 1.091 436 R CA -0.783 55.383 56.100 0.110 0.000 0.927 436 R CB 1.686 32.040 30.300 0.090 0.000 1.240 436 R HN 0.133 nan 8.270 nan 0.000 0.449 437 L N 2.368 123.676 121.223 0.142 0.000 2.505 437 L HA 0.733 5.069 4.340 -0.005 0.000 0.259 437 L C -1.851 175.096 176.870 0.128 0.000 0.952 437 L CA 0.025 54.967 54.840 0.171 0.000 0.840 437 L CB 2.424 44.587 42.059 0.174 0.000 1.358 437 L HN 0.707 nan 8.230 nan 0.000 0.409 438 S N 4.481 120.246 115.700 0.108 0.000 2.536 438 S HA 0.920 5.387 4.470 -0.005 0.000 0.271 438 S C -1.802 172.780 174.600 -0.029 0.000 1.134 438 S CA -0.523 57.708 58.200 0.051 0.000 0.897 438 S CB 1.212 64.446 63.200 0.055 0.000 1.094 438 S HN 0.711 nan 8.310 nan 0.000 0.473 439 L N 2.523 123.683 121.223 -0.106 0.000 2.415 439 L HA 0.882 5.219 4.340 -0.005 0.000 0.256 439 L C -0.586 176.194 176.870 -0.149 0.000 1.010 439 L CA -0.498 54.146 54.840 -0.328 0.000 0.826 439 L CB 2.552 44.286 42.059 -0.541 0.000 1.405 439 L HN 1.012 nan 8.230 nan 0.000 0.410 440 S N -0.587 115.049 115.700 -0.106 0.000 2.656 440 S HA 0.856 5.322 4.470 -0.005 0.000 0.265 440 S C -0.458 174.225 174.600 0.138 0.000 1.132 440 S CA -0.484 57.739 58.200 0.038 0.000 0.819 440 S CB 1.056 64.270 63.200 0.024 0.000 1.119 440 S HN 1.552 nan 8.310 nan 0.000 0.476 441 G N -0.275 108.592 108.800 0.113 0.000 2.787 441 G HA2 0.183 4.140 3.960 -0.005 0.000 0.685 441 G HA3 0.183 4.140 3.960 -0.005 0.000 0.685 441 G C -0.659 174.315 174.900 0.124 0.000 1.437 441 G CA -0.544 44.633 45.100 0.129 0.000 0.872 441 G HN 1.736 nan 8.290 nan 0.000 0.566 442 L N 0.227 121.518 121.223 0.113 0.000 2.776 442 L HA 0.353 4.690 4.340 -0.005 0.000 0.283 442 L C 0.349 177.298 176.870 0.131 0.000 1.194 442 L CA 1.178 56.086 54.840 0.114 0.000 0.947 442 L CB -0.519 41.600 42.059 0.101 0.000 1.255 442 L HN 0.550 nan 8.230 nan 0.000 0.481 443 L N 4.059 125.360 121.223 0.131 0.000 2.466 443 L HA 0.645 4.982 4.340 -0.005 0.000 0.258 443 L C 0.031 177.007 176.870 0.176 0.000 0.973 443 L CA -0.617 54.301 54.840 0.130 0.000 0.826 443 L CB 2.325 44.424 42.059 0.067 0.000 1.372 443 L HN 0.651 nan 8.230 nan 0.000 0.409 444 T N -4.470 110.192 114.554 0.180 0.000 2.883 444 T HA 0.323 4.670 4.350 -0.005 0.000 0.284 444 T C 0.304 175.185 174.700 0.302 0.000 1.041 444 T CA -0.725 61.496 62.100 0.202 0.000 1.007 444 T CB 1.586 70.534 68.868 0.134 0.000 1.220 444 T HN 0.493 nan 8.240 nan 0.000 0.552 445 D N -0.175 120.401 120.400 0.294 0.000 2.309 445 D HA -0.069 4.567 4.640 -0.005 0.000 0.212 445 D C 1.693 178.178 176.300 0.308 0.000 0.968 445 D CA 0.832 55.067 54.000 0.392 0.000 0.882 445 D CB -0.049 40.891 40.800 0.233 0.000 0.918 445 D HN 0.470 nan 8.370 nan 0.000 0.503 446 K N 1.297 121.758 120.400 0.102 0.000 2.063 446 K HA -0.112 4.204 4.320 -0.005 0.000 0.208 446 K C 1.929 178.298 176.600 -0.386 0.000 1.048 446 K CA 0.611 56.795 56.287 -0.172 0.000 0.928 446 K CB -0.844 31.548 32.500 -0.180 0.000 0.713 446 K HN -0.022 nan 8.250 nan 0.000 0.442 447 V N 0.322 120.154 119.914 -0.135 0.000 2.324 447 V HA -0.262 3.855 4.120 -0.005 0.000 0.250 447 V C 1.856 177.877 176.094 -0.122 0.000 1.060 447 V CA 2.162 64.410 62.300 -0.086 0.000 1.042 447 V CB -0.443 31.284 31.823 -0.160 0.000 0.650 447 V HN 0.366 nan 8.190 nan 0.000 0.450 448 F N 0.260 120.250 119.950 0.066 0.000 2.234 448 F HA -0.106 4.418 4.527 -0.005 0.000 0.299 448 F C 2.470 178.285 175.800 0.026 0.000 1.087 448 F CA 1.805 59.858 58.000 0.089 0.000 1.340 448 F CB -0.433 38.640 39.000 0.122 0.000 1.031 448 F HN 0.234 nan 8.300 nan 0.000 0.500 449 E N -0.008 120.226 120.200 0.056 0.000 2.077 449 E HA -0.231 4.116 4.350 -0.005 0.000 0.193 449 E C 2.125 178.648 176.600 -0.128 0.000 0.989 449 E CA 1.484 57.686 56.400 -0.330 0.000 0.800 449 E CB -0.343 29.062 29.700 -0.491 0.000 0.746 449 E HN 0.551 nan 8.360 nan 0.000 0.452 450 Y N 0.357 120.671 120.300 0.023 0.000 2.097 450 Y HA -0.242 4.305 4.550 -0.004 0.000 0.282 450 Y C 2.489 178.470 175.900 0.136 0.000 1.152 450 Y CA 0.785 58.960 58.100 0.125 0.000 1.136 450 Y CB -0.146 38.410 38.460 0.159 0.000 0.975 450 Y HN 0.073 nan 8.280 nan 0.000 0.498 451 I N -0.114 120.609 120.570 0.254 0.000 2.163 451 I HA -0.279 3.888 4.170 -0.005 0.000 0.243 451 I C 2.705 178.901 176.117 0.131 0.000 1.085 451 I CA 1.573 62.987 61.300 0.191 0.000 1.347 451 I CB -0.828 37.265 38.000 0.155 0.000 1.044 451 I HN 0.274 nan 8.210 nan 0.000 0.408 452 G N -0.024 108.828 108.800 0.087 0.000 2.418 452 G HA2 -0.227 3.730 3.960 -0.005 0.000 0.217 452 G HA3 -0.227 3.730 3.960 -0.005 0.000 0.217 452 G C 1.645 176.496 174.900 -0.081 0.000 1.158 452 G CA 1.458 46.565 45.100 0.011 0.000 0.771 452 G HN 0.340 nan 8.290 nan 0.000 0.545 453 T N -0.291 114.155 114.554 -0.181 0.000 2.777 453 T HA -0.079 4.268 4.350 -0.005 0.000 0.266 453 T C 2.018 176.440 174.700 -0.463 0.000 1.040 453 T CA 1.430 63.282 62.100 -0.413 0.000 1.141 453 T CB -0.281 68.127 68.868 -0.766 0.000 0.868 453 T HN 0.484 nan 8.240 nan 0.000 0.444 454 Y N 0.639 120.953 120.300 0.025 0.000 2.539 454 Y HA 0.524 5.072 4.550 -0.004 0.000 0.284 454 Y C 2.066 177.973 175.900 0.011 0.000 1.134 454 Y CA -0.367 57.734 58.100 0.003 0.000 1.251 454 Y CB 0.061 38.511 38.460 -0.018 0.000 1.260 454 Y HN 0.039 nan 8.280 nan 0.000 0.528 455 A N 1.595 124.526 122.820 0.185 0.000 3.110 455 A HA 0.009 4.326 4.320 -0.005 0.000 0.265 455 A C 1.242 178.880 177.584 0.090 0.000 1.962 455 A CA 0.250 52.364 52.037 0.129 0.000 1.493 455 A CB -0.521 18.555 19.000 0.127 0.000 0.941 455 A HN 0.190 nan 8.150 nan 0.000 0.610 456 K N 0.378 120.826 120.400 0.081 0.000 2.366 456 K HA 0.022 4.339 4.320 -0.005 0.000 0.198 456 K C 0.942 177.574 176.600 0.053 0.000 1.044 456 K CA 0.777 57.097 56.287 0.055 0.000 0.973 456 K CB 0.249 32.776 32.500 0.045 0.000 0.767 456 K HN 0.512 nan 8.250 nan 0.000 0.475 457 K N -0.137 120.299 120.400 0.060 0.000 2.374 457 K HA 0.191 4.508 4.320 -0.005 0.000 0.202 457 K C 0.729 177.367 176.600 0.064 0.000 1.040 457 K CA -0.211 56.109 56.287 0.056 0.000 1.085 457 K CB 0.528 33.058 32.500 0.050 0.000 0.873 457 K HN 0.110 nan 8.250 nan 0.000 0.539 458 M N 1.574 121.218 119.600 0.074 0.000 2.248 458 M HA -0.057 4.420 4.480 -0.005 0.000 0.345 458 M C 0.400 176.750 176.300 0.083 0.000 1.243 458 M CA 1.040 56.391 55.300 0.084 0.000 1.090 458 M CB 0.516 33.174 32.600 0.096 0.000 1.683 458 M HN 0.085 nan 8.290 nan 0.000 0.450 459 E N 3.603 123.855 120.200 0.087 0.000 2.399 459 E HA 0.176 4.522 4.350 -0.005 0.000 0.205 459 E C -0.249 176.411 176.600 0.101 0.000 0.906 459 E CA 0.161 56.615 56.400 0.089 0.000 0.998 459 E CB 0.851 30.601 29.700 0.084 0.000 1.002 459 E HN 0.727 nan 8.360 nan 0.000 0.501 460 M N 1.863 121.527 119.600 0.106 0.000 2.213 460 M HA 0.371 4.848 4.480 -0.005 0.000 0.286 460 M C -2.174 174.205 176.300 0.132 0.000 1.008 460 M CA -0.916 54.455 55.300 0.119 0.000 0.937 460 M CB 1.973 34.637 32.600 0.107 0.000 1.600 460 M HN 0.019 nan 8.290 nan 0.000 0.450 461 L N 4.073 125.385 121.223 0.149 0.000 2.362 461 L HA 0.861 5.197 4.340 -0.005 0.000 0.271 461 L C -1.463 175.526 176.870 0.198 0.000 1.002 461 L CA 0.195 55.134 54.840 0.165 0.000 0.818 461 L CB 2.589 44.750 42.059 0.169 0.000 1.298 461 L HN 0.777 nan 8.230 nan 0.000 0.420 462 S N 2.930 118.755 115.700 0.209 0.000 2.548 462 S HA 0.939 5.405 4.470 -0.005 0.000 0.286 462 S C -1.307 173.432 174.600 0.232 0.000 1.098 462 S CA -0.706 57.659 58.200 0.276 0.000 0.930 462 S CB 2.056 65.487 63.200 0.385 0.000 1.070 462 S HN 0.494 nan 8.310 nan 0.000 0.480 463 V N 0.632 120.712 119.914 0.277 0.000 2.891 463 V HA 0.912 5.029 4.120 -0.005 0.000 0.304 463 V C -0.924 175.291 176.094 0.202 0.000 1.171 463 V CA -0.604 61.837 62.300 0.235 0.000 0.943 463 V CB 1.743 33.772 31.823 0.344 0.000 1.037 463 V HN 1.211 nan 8.190 nan 0.000 0.427 464 A N 2.607 125.518 122.820 0.152 0.000 2.488 464 A HA 0.834 5.151 4.320 -0.005 0.000 0.295 464 A C -0.697 177.037 177.584 0.250 0.000 1.045 464 A CA -0.570 51.537 52.037 0.116 0.000 0.703 464 A CB 0.736 19.872 19.000 0.227 0.000 1.271 464 A HN 1.422 nan 8.150 nan 0.000 0.400 465 F N -1.034 118.902 119.950 -0.023 0.000 3.004 465 F HA -0.092 4.431 4.527 -0.005 0.000 0.264 465 F C 0.850 176.648 175.800 -0.002 0.000 0.979 465 F CA 1.272 59.255 58.000 -0.028 0.000 0.896 465 F CB -1.628 37.364 39.000 -0.013 0.000 0.813 465 F HN 1.281 nan 8.300 nan 0.000 0.804 466 A N -0.279 122.600 122.820 0.098 0.000 2.532 466 A HA 0.958 5.275 4.320 -0.005 0.000 0.290 466 A C 0.469 178.142 177.584 0.148 0.000 1.143 466 A CA -0.262 51.886 52.037 0.186 0.000 0.728 466 A CB 1.492 20.661 19.000 0.282 0.000 1.317 466 A HN 1.963 nan 8.150 nan 0.000 0.414 467 G N -0.158 108.865 108.800 0.373 0.000 2.730 467 G HA2 0.048 4.005 3.960 -0.005 0.000 0.686 467 G HA3 0.048 4.005 3.960 -0.005 0.000 0.686 467 G C -0.442 174.574 174.900 0.194 0.000 1.343 467 G CA 0.260 45.593 45.100 0.388 0.000 0.826 467 G HN 0.716 nan 8.290 nan 0.000 0.582 468 D N -0.653 119.889 120.400 0.236 0.000 2.469 468 D HA 0.323 4.960 4.640 -0.005 0.000 0.240 468 D C 1.376 177.756 176.300 0.133 0.000 1.087 468 D CA 1.556 55.644 54.000 0.146 0.000 0.876 468 D CB 0.840 41.716 40.800 0.128 0.000 1.160 468 D HN 1.307 nan 8.370 nan 0.000 0.497 469 S N -0.878 114.936 115.700 0.191 0.000 2.643 469 S HA 0.132 4.598 4.470 -0.005 0.000 0.266 469 S C -0.340 174.310 174.600 0.084 0.000 1.130 469 S CA -0.643 57.637 58.200 0.133 0.000 0.817 469 S CB 1.246 64.474 63.200 0.047 0.000 1.107 469 S HN -0.293 nan 8.310 nan 0.000 0.471 470 D N 0.525 120.914 120.400 -0.017 0.000 2.311 470 D HA -0.053 4.583 4.640 -0.005 0.000 0.212 470 D C 1.696 177.819 176.300 -0.296 0.000 0.972 470 D CA 0.635 54.513 54.000 -0.203 0.000 0.887 470 D CB -0.182 40.536 40.800 -0.137 0.000 0.915 470 D HN 0.460 nan 8.370 nan 0.000 0.497 471 L N 0.352 121.449 121.223 -0.212 0.000 2.127 471 L HA -0.145 4.192 4.340 -0.005 0.000 0.211 471 L C 2.128 178.745 176.870 -0.421 0.000 1.089 471 L CA 1.568 56.244 54.840 -0.273 0.000 0.757 471 L CB -0.625 41.341 42.059 -0.156 0.000 0.899 471 L HN 0.076 nan 8.230 nan 0.000 0.434 472 G N -0.678 107.886 108.800 -0.394 0.000 2.424 472 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.214 472 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.214 472 G C 1.546 175.924 174.900 -0.870 0.000 1.202 472 G CA 0.628 45.399 45.100 -0.549 0.000 0.793 472 G HN 0.274 nan 8.290 nan 0.000 0.534 473 M N 0.012 118.766 119.600 -1.409 0.000 2.267 473 M HA -0.114 4.363 4.480 -0.005 0.000 0.263 473 M C 2.279 178.299 176.300 -0.467 0.000 1.063 473 M CA 1.920 56.623 55.300 -0.996 0.000 1.090 473 M CB -0.150 31.829 32.600 -1.035 0.000 1.392 473 M HN 0.514 nan 8.290 nan 0.000 0.422 474 H N -0.429 118.343 119.070 -0.496 0.000 2.299 474 H HA -0.180 4.373 4.556 -0.005 0.000 0.302 474 H C 1.814 177.013 175.328 -0.215 0.000 1.078 474 H CA 2.447 58.290 56.048 -0.342 0.000 1.323 474 H CB -0.378 29.164 29.762 -0.366 0.000 1.381 474 H HN 0.429 nan 8.280 nan 0.000 0.498 475 H N -0.499 118.366 119.070 -0.342 0.000 2.390 475 H HA -0.123 4.430 4.556 -0.005 0.000 0.298 475 H C 2.533 177.753 175.328 -0.180 0.000 1.106 475 H CA 1.518 57.405 56.048 -0.269 0.000 1.297 475 H CB -0.575 29.139 29.762 -0.080 0.000 1.375 475 H HN 0.283 nan 8.280 nan 0.000 0.509 476 V N 1.118 121.029 119.914 -0.005 0.000 2.239 476 V HA -0.203 3.914 4.120 -0.005 0.000 0.242 476 V C 2.895 178.967 176.094 -0.037 0.000 1.038 476 V CA 1.278 63.596 62.300 0.031 0.000 1.002 476 V CB -0.807 31.061 31.823 0.076 0.000 0.641 476 V HN 0.227 nan 8.190 nan 0.000 0.449 477 L N 0.518 121.686 121.223 -0.091 0.000 2.089 477 L HA -0.261 4.076 4.340 -0.005 0.000 0.213 477 L C 2.675 179.488 176.870 -0.096 0.000 1.079 477 L CA 2.097 56.889 54.840 -0.080 0.000 0.758 477 L CB -0.671 41.338 42.059 -0.083 0.000 0.891 477 L HN 0.493 nan 8.230 nan 0.000 0.433 478 S N -0.304 115.279 115.700 -0.194 0.000 2.371 478 S HA -0.038 4.429 4.470 -0.005 0.000 0.221 478 S C 1.965 176.507 174.600 -0.096 0.000 1.036 478 S CA 0.922 59.009 58.200 -0.188 0.000 0.965 478 S CB -0.192 62.742 63.200 -0.444 0.000 0.845 478 S HN 0.436 nan 8.310 nan 0.000 0.475 479 G N 0.176 108.930 108.800 -0.078 0.000 2.421 479 G HA2 -0.047 3.910 3.960 -0.005 0.000 0.217 479 G HA3 -0.047 3.910 3.960 -0.005 0.000 0.217 479 G C 0.526 175.420 174.900 -0.011 0.000 1.143 479 G CA 0.705 45.781 45.100 -0.041 0.000 0.784 479 G HN 0.580 nan 8.290 nan 0.000 0.541 480 C N 2.298 121.603 119.300 0.008 0.000 2.158 480 C HA 0.304 4.761 4.460 -0.005 0.000 0.350 480 C C 1.031 176.039 174.990 0.029 0.000 1.064 480 C CA -1.237 57.800 59.018 0.032 0.000 1.507 480 C CB -0.181 27.592 27.740 0.055 0.000 1.934 480 C HN 0.390 nan 8.230 nan 0.000 0.479 481 D N 1.274 121.689 120.400 0.025 0.000 2.149 481 D HA -0.100 4.537 4.640 -0.005 0.000 0.198 481 D C 1.820 178.142 176.300 0.036 0.000 0.990 481 D CA 1.473 55.488 54.000 0.026 0.000 0.839 481 D CB -0.035 40.778 40.800 0.022 0.000 0.948 481 D HN 0.531 nan 8.370 nan 0.000 0.460 482 S N -0.170 115.557 115.700 0.045 0.000 2.575 482 S HA 0.114 4.580 4.470 -0.005 0.000 0.215 482 S C 1.015 175.653 174.600 0.063 0.000 0.966 482 S CA -0.391 57.841 58.200 0.054 0.000 0.911 482 S CB 0.404 63.637 63.200 0.055 0.000 0.780 482 S HN 0.239 nan 8.310 nan 0.000 0.514 483 L N 2.717 123.977 121.223 0.063 0.000 2.640 483 L HA -0.023 4.314 4.340 -0.005 0.000 0.280 483 L C 1.260 178.177 176.870 0.079 0.000 1.229 483 L CA 0.652 55.536 54.840 0.074 0.000 0.919 483 L CB 0.403 42.503 42.059 0.068 0.000 1.168 483 L HN 0.280 nan 8.230 nan 0.000 0.496 484 R N 2.778 123.333 120.500 0.092 0.000 2.225 484 R HA 0.213 4.550 4.340 -0.005 0.000 0.194 484 R C -0.136 176.235 176.300 0.119 0.000 0.949 484 R CA 0.181 56.343 56.100 0.103 0.000 1.088 484 R CB 0.571 30.937 30.300 0.109 0.000 1.106 484 R HN 0.485 nan 8.270 nan 0.000 0.566 485 K N 1.058 121.534 120.400 0.126 0.000 2.507 485 K HA 0.341 4.658 4.320 -0.005 0.000 0.251 485 K C -1.866 174.820 176.600 0.144 0.000 0.943 485 K CA -0.632 55.744 56.287 0.148 0.000 0.794 485 K CB 2.413 35.008 32.500 0.159 0.000 1.188 485 K HN -0.192 nan 8.250 nan 0.000 0.428 486 L N 2.486 123.795 121.223 0.145 0.000 2.370 486 L HA 0.547 4.884 4.340 -0.005 0.000 0.266 486 L C -1.693 175.247 176.870 0.118 0.000 1.002 486 L CA -0.080 54.840 54.840 0.133 0.000 0.818 486 L CB 1.850 43.978 42.059 0.115 0.000 1.325 486 L HN 0.759 nan 8.230 nan 0.000 0.418 487 E N 4.254 124.504 120.200 0.083 0.000 2.381 487 E HA 0.665 5.012 4.350 -0.005 0.000 0.286 487 E C -1.608 174.989 176.600 -0.006 0.000 0.960 487 E CA -0.693 55.661 56.400 -0.076 0.000 0.793 487 E CB 1.803 31.238 29.700 -0.442 0.000 1.225 487 E HN 0.491 nan 8.360 nan 0.000 0.420 488 I N 1.610 122.222 120.570 0.069 0.000 2.752 488 I HA 0.518 4.685 4.170 -0.005 0.000 0.295 488 I C -0.918 175.357 176.117 0.263 0.000 1.219 488 I CA -0.774 60.643 61.300 0.195 0.000 1.030 488 I CB 2.302 40.408 38.000 0.176 0.000 1.259 488 I HN 0.642 nan 8.210 nan 0.000 0.423 489 R N 2.303 122.920 120.500 0.195 0.000 2.668 489 R HA 0.467 4.804 4.340 -0.005 0.000 0.272 489 R C -1.394 174.739 176.300 -0.278 0.000 1.019 489 R CA -0.685 55.480 56.100 0.108 0.000 0.894 489 R CB 1.513 32.014 30.300 0.335 0.000 1.228 489 R HN 0.624 nan 8.270 nan 0.000 0.460 490 D N 0.288 120.477 120.400 -0.351 0.000 2.706 490 D HA -0.213 4.424 4.640 -0.005 0.000 0.230 490 D C -0.656 175.299 176.300 -0.575 0.000 1.184 490 D CA 1.028 54.689 54.000 -0.565 0.000 0.628 490 D CB -1.339 38.821 40.800 -1.067 0.000 1.019 490 D HN 0.502 nan 8.370 nan 0.000 0.415 491 C N 0.309 119.321 119.300 -0.481 0.000 2.470 491 C HA 0.577 5.034 4.460 -0.005 0.000 0.341 491 C C -1.825 172.819 174.990 -0.577 0.000 1.190 491 C CA -1.592 57.029 59.018 -0.661 0.000 1.904 491 C CB 1.597 28.621 27.740 -1.193 0.000 2.354 491 C HN 0.193 nan 8.230 nan 0.000 0.509 492 P HA 0.261 nan 4.420 nan 0.000 0.225 492 P C -0.981 176.392 177.300 0.122 0.000 1.813 492 P CA 0.607 63.615 63.100 -0.154 0.000 1.013 492 P CB -0.600 31.064 31.700 -0.060 0.000 1.961 493 F N 0.348 120.248 119.950 -0.085 0.000 2.556 493 F HA 0.680 5.203 4.527 -0.006 0.000 0.314 493 F C 0.993 176.746 175.800 -0.078 0.000 1.106 493 F CA -0.949 56.991 58.000 -0.101 0.000 0.911 493 F CB 2.920 41.845 39.000 -0.124 0.000 1.190 493 F HN 0.137 nan 8.300 nan 0.000 0.448 494 G N 1.225 110.094 108.800 0.115 0.000 3.100 494 G HA2 0.119 4.076 3.960 -0.005 0.000 0.174 494 G HA3 0.119 4.076 3.960 -0.005 0.000 0.174 494 G C -0.325 174.570 174.900 -0.008 0.000 1.136 494 G CA -0.260 44.862 45.100 0.038 0.000 0.881 494 G HN 0.407 nan 8.290 nan 0.000 0.616 495 D N 0.454 120.840 120.400 -0.023 0.000 2.144 495 D HA -0.034 4.603 4.640 -0.005 0.000 0.200 495 D C 2.192 178.454 176.300 -0.062 0.000 0.978 495 D CA 0.967 54.941 54.000 -0.044 0.000 0.833 495 D CB 0.032 40.805 40.800 -0.045 0.000 0.961 495 D HN 0.365 nan 8.370 nan 0.000 0.470 496 K N 0.982 121.340 120.400 -0.070 0.000 1.985 496 K HA -0.054 4.263 4.320 -0.005 0.000 0.210 496 K C 2.269 178.798 176.600 -0.119 0.000 1.047 496 K CA 1.313 57.541 56.287 -0.098 0.000 0.932 496 K CB -0.244 32.191 32.500 -0.109 0.000 0.716 496 K HN 0.051 nan 8.250 nan 0.000 0.439 497 A N 1.543 124.287 122.820 -0.127 0.000 1.908 497 A HA -0.174 4.143 4.320 -0.005 0.000 0.218 497 A C 2.184 179.722 177.584 -0.076 0.000 1.181 497 A CA 1.303 53.269 52.037 -0.119 0.000 0.627 497 A CB -0.588 18.297 19.000 -0.193 0.000 0.818 497 A HN 0.235 nan 8.150 nan 0.000 0.445 498 L N -0.500 120.677 121.223 -0.077 0.000 1.988 498 L HA -0.082 4.254 4.340 -0.005 0.000 0.207 498 L C 2.423 179.261 176.870 -0.053 0.000 1.071 498 L CA 1.708 56.513 54.840 -0.059 0.000 0.744 498 L CB -0.364 41.663 42.059 -0.054 0.000 0.893 498 L HN 0.403 nan 8.230 nan 0.000 0.433 499 L N -0.728 120.458 121.223 -0.061 0.000 2.093 499 L HA -0.162 4.175 4.340 -0.005 0.000 0.208 499 L C 2.666 179.503 176.870 -0.055 0.000 1.085 499 L CA 1.068 55.872 54.840 -0.059 0.000 0.755 499 L CB -0.907 41.112 42.059 -0.066 0.000 0.904 499 L HN 0.363 nan 8.230 nan 0.000 0.435 500 A N 0.129 122.910 122.820 -0.065 0.000 1.986 500 A HA -0.226 4.090 4.320 -0.005 0.000 0.220 500 A C 1.530 179.107 177.584 -0.011 0.000 1.171 500 A CA 2.196 54.195 52.037 -0.063 0.000 0.640 500 A CB -0.592 18.325 19.000 -0.138 0.000 0.811 500 A HN 0.563 nan 8.150 nan 0.000 0.451 501 N N -1.532 117.169 118.700 0.001 0.000 2.351 501 N HA 0.430 5.167 4.740 -0.005 0.000 0.254 501 N C 0.941 176.447 175.510 -0.007 0.000 1.241 501 N CA 0.489 53.549 53.050 0.017 0.000 0.883 501 N CB 0.586 39.092 38.487 0.031 0.000 1.202 501 N HN 0.343 nan 8.380 nan 0.000 0.512 502 A N 0.169 122.977 122.820 -0.020 0.000 2.125 502 A HA -0.147 4.170 4.320 -0.005 0.000 0.219 502 A C 2.107 179.677 177.584 -0.023 0.000 1.156 502 A CA 1.711 53.732 52.037 -0.028 0.000 0.671 502 A CB -0.377 18.599 19.000 -0.039 0.000 0.794 502 A HN 0.389 nan 8.150 nan 0.000 0.459 503 S N -1.084 114.607 115.700 -0.015 0.000 2.524 503 S HA 0.044 4.510 4.470 -0.005 0.000 0.216 503 S C 1.633 176.231 174.600 -0.003 0.000 0.987 503 S CA 0.826 59.019 58.200 -0.011 0.000 0.909 503 S CB 0.015 63.210 63.200 -0.009 0.000 0.781 503 S HN 0.393 nan 8.310 nan 0.000 0.521 504 K N 2.466 122.864 120.400 -0.002 0.000 2.074 504 K HA 0.023 4.340 4.320 -0.005 0.000 0.209 504 K C 1.799 178.404 176.600 0.008 0.000 1.048 504 K CA 1.631 57.920 56.287 0.004 0.000 0.926 504 K CB -1.047 31.453 32.500 -0.001 0.000 0.713 504 K HN 0.488 nan 8.250 nan 0.000 0.444 505 L N 0.561 121.784 121.223 -0.001 0.000 2.189 505 L HA -0.204 4.132 4.340 -0.005 0.000 0.214 505 L C 2.048 178.922 176.870 0.006 0.000 1.097 505 L CA 1.471 56.311 54.840 -0.000 0.000 0.764 505 L CB -0.534 41.513 42.059 -0.021 0.000 0.900 505 L HN 0.356 nan 8.230 nan 0.000 0.436 506 E N -0.368 119.834 120.200 0.004 0.000 2.427 506 E HA -0.109 4.238 4.350 -0.005 0.000 0.196 506 E C 1.456 178.073 176.600 0.029 0.000 1.028 506 E CA 1.309 57.716 56.400 0.012 0.000 0.864 506 E CB 0.103 29.806 29.700 0.005 0.000 0.813 506 E HN 0.531 nan 8.360 nan 0.000 0.514 507 T N -1.803 112.770 114.554 0.031 0.000 3.243 507 T HA 0.395 4.742 4.350 -0.005 0.000 0.264 507 T C 0.232 174.964 174.700 0.054 0.000 1.000 507 T CA -0.265 61.860 62.100 0.041 0.000 0.901 507 T CB -0.030 68.859 68.868 0.035 0.000 1.083 507 T HN -0.140 nan 8.240 nan 0.000 0.559 508 M N 0.605 120.241 119.600 0.060 0.000 2.531 508 M HA 0.467 4.944 4.480 -0.005 0.000 0.286 508 M C 0.895 177.251 176.300 0.093 0.000 1.232 508 M CA -0.977 54.368 55.300 0.076 0.000 0.877 508 M CB 3.204 35.845 32.600 0.068 0.000 1.726 508 M HN -0.041 nan 8.290 nan 0.000 0.463 509 R N 0.855 121.424 120.500 0.115 0.000 2.080 509 R HA 0.119 4.456 4.340 -0.005 0.000 0.222 509 R C -0.144 176.254 176.300 0.163 0.000 1.107 509 R CA 1.404 57.584 56.100 0.133 0.000 0.980 509 R CB 0.425 30.804 30.300 0.133 0.000 0.879 509 R HN 0.777 nan 8.270 nan 0.000 0.439 510 S N -0.728 115.082 115.700 0.182 0.000 2.611 510 S HA 0.406 4.873 4.470 -0.005 0.000 0.268 510 S C -1.652 173.073 174.600 0.209 0.000 1.156 510 S CA -1.162 57.159 58.200 0.202 0.000 0.817 510 S CB 1.516 64.964 63.200 0.413 0.000 1.122 510 S HN 0.076 nan 8.310 nan 0.000 0.466 511 L N 2.153 123.493 121.223 0.194 0.000 2.356 511 L HA 0.688 5.025 4.340 -0.005 0.000 0.277 511 L C -1.179 175.858 176.870 0.279 0.000 0.996 511 L CA -0.580 54.362 54.840 0.170 0.000 0.822 511 L CB 1.437 43.538 42.059 0.070 0.000 1.256 511 L HN 0.932 nan 8.230 nan 0.000 0.413 512 W N 8.059 129.424 121.300 0.109 0.000 2.520 512 W HA 0.624 5.280 4.660 -0.005 0.000 0.323 512 W C -1.866 174.653 176.519 0.001 0.000 1.062 512 W CA -0.836 56.526 57.345 0.029 0.000 1.215 512 W CB 1.757 31.023 29.460 -0.323 0.000 1.340 512 W HN 0.482 nan 8.180 nan 0.000 0.516 513 M N 6.108 125.333 119.600 -0.624 0.000 2.271 513 M HA 0.204 4.681 4.480 -0.005 0.000 0.285 513 M C -0.673 175.424 176.300 -0.337 0.000 1.059 513 M CA -0.453 54.711 55.300 -0.227 0.000 0.940 513 M CB 2.467 35.002 32.600 -0.108 0.000 1.636 513 M HN 0.405 nan 8.290 nan 0.000 0.460 514 S N 0.372 116.066 115.700 -0.010 0.000 2.546 514 S HA 0.615 5.082 4.470 -0.005 0.000 0.274 514 S C 0.055 174.719 174.600 0.107 0.000 1.121 514 S CA -0.565 57.711 58.200 0.128 0.000 0.887 514 S CB 1.892 65.489 63.200 0.661 0.000 1.094 514 S HN 0.783 nan 8.310 nan 0.000 0.474 515 S N -0.138 115.604 115.700 0.070 0.000 3.419 515 S HA -0.175 4.292 4.470 -0.005 0.000 0.350 515 S C 0.663 175.233 174.600 -0.049 0.000 1.128 515 S CA 1.006 59.212 58.200 0.009 0.000 0.999 515 S CB -2.540 60.658 63.200 -0.003 0.000 0.923 515 S HN 0.845 nan 8.310 nan 0.000 0.522 516 C N 0.311 119.587 119.300 -0.040 0.000 2.536 516 C HA 0.569 5.026 4.460 -0.005 0.000 0.385 516 C C 1.719 176.693 174.990 -0.027 0.000 2.253 516 C CA -0.574 58.409 59.018 -0.059 0.000 1.823 516 C CB 1.226 28.945 27.740 -0.035 0.000 2.000 516 C HN 0.473 nan 8.230 nan 0.000 0.444 517 S N 0.466 116.160 115.700 -0.010 0.000 2.489 517 S HA 0.253 4.720 4.470 -0.005 0.000 0.237 517 S C -0.406 174.202 174.600 0.014 0.000 1.220 517 S CA -0.083 58.120 58.200 0.005 0.000 1.231 517 S CB -0.226 62.979 63.200 0.009 0.000 0.900 517 S HN 0.433 nan 8.310 nan 0.000 0.492 518 V N 3.332 123.252 119.914 0.010 0.000 2.385 518 V HA 0.339 4.456 4.120 -0.005 0.000 0.269 518 V C 0.587 176.694 176.094 0.022 0.000 1.043 518 V CA -0.675 61.630 62.300 0.008 0.000 0.906 518 V CB 1.105 32.926 31.823 -0.004 0.000 0.995 518 V HN 0.621 nan 8.190 nan 0.000 0.467 519 S N 4.739 120.450 115.700 0.019 0.000 2.584 519 S HA 0.309 4.776 4.470 -0.005 0.000 0.273 519 S C 0.828 175.471 174.600 0.073 0.000 1.311 519 S CA -0.406 57.821 58.200 0.045 0.000 1.034 519 S CB 0.838 64.048 63.200 0.017 0.000 0.939 519 S HN 0.573 nan 8.310 nan 0.000 0.513 520 F N 3.482 123.403 119.950 -0.048 0.000 2.091 520 F HA -0.008 4.516 4.527 -0.006 0.000 0.299 520 F C 2.129 177.892 175.800 -0.061 0.000 1.103 520 F CA 1.926 59.889 58.000 -0.062 0.000 1.228 520 F CB -1.221 37.727 39.000 -0.087 0.000 0.984 520 F HN 0.797 nan 8.300 nan 0.000 0.477 521 G N 0.004 108.626 108.800 -0.296 0.000 2.628 521 G HA2 -0.351 3.606 3.960 -0.005 0.000 0.217 521 G HA3 -0.351 3.606 3.960 -0.005 0.000 0.217 521 G C 1.898 176.640 174.900 -0.265 0.000 1.240 521 G CA 1.760 46.659 45.100 -0.333 0.000 0.792 521 G HN 0.707 nan 8.290 nan 0.000 0.593 522 A N -0.413 122.316 122.820 -0.151 0.000 1.958 522 A HA -0.175 4.142 4.320 -0.005 0.000 0.221 522 A C 2.630 180.136 177.584 -0.130 0.000 1.178 522 A CA 2.125 54.090 52.037 -0.120 0.000 0.642 522 A CB -1.076 17.879 19.000 -0.075 0.000 0.816 522 A HN 0.491 nan 8.150 nan 0.000 0.453 523 C N -1.158 118.063 119.300 -0.132 0.000 2.442 523 C HA -0.098 4.359 4.460 -0.005 0.000 0.279 523 C C 2.587 177.480 174.990 -0.163 0.000 1.237 523 C CA 1.236 60.191 59.018 -0.106 0.000 1.722 523 C CB -1.146 26.590 27.740 -0.007 0.000 2.056 523 C HN 0.679 nan 8.230 nan 0.000 0.469 524 K N 0.336 120.546 120.400 -0.318 0.000 2.066 524 K HA -0.297 4.020 4.320 -0.005 0.000 0.221 524 K C 1.918 178.397 176.600 -0.201 0.000 1.056 524 K CA 2.033 58.127 56.287 -0.322 0.000 0.950 524 K CB -0.616 31.580 32.500 -0.507 0.000 0.726 524 K HN 0.517 nan 8.250 nan 0.000 0.456 525 L N 0.669 121.780 121.223 -0.188 0.000 2.027 525 L HA -0.186 4.150 4.340 -0.005 0.000 0.206 525 L C 2.311 179.118 176.870 -0.106 0.000 1.074 525 L CA 0.933 55.694 54.840 -0.132 0.000 0.745 525 L CB -0.237 41.751 42.059 -0.119 0.000 0.898 525 L HN 0.214 nan 8.230 nan 0.000 0.433 526 L N 0.592 121.754 121.223 -0.102 0.000 2.043 526 L HA -0.152 4.185 4.340 -0.005 0.000 0.212 526 L C 2.415 179.234 176.870 -0.086 0.000 1.075 526 L CA 2.217 57.005 54.840 -0.086 0.000 0.752 526 L CB -1.436 40.574 42.059 -0.082 0.000 0.891 526 L HN 0.314 nan 8.230 nan 0.000 0.432 527 G N -1.576 107.168 108.800 -0.092 0.000 2.446 527 G HA2 -0.284 3.672 3.960 -0.005 0.000 0.217 527 G HA3 -0.284 3.672 3.960 -0.005 0.000 0.217 527 G C 1.386 176.238 174.900 -0.081 0.000 1.168 527 G CA 0.681 45.728 45.100 -0.088 0.000 0.771 527 G HN 0.467 nan 8.290 nan 0.000 0.551 528 Q N 0.318 120.069 119.800 -0.081 0.000 2.002 528 Q HA -0.135 4.201 4.340 -0.005 0.000 0.204 528 Q C 2.476 178.439 176.000 -0.063 0.000 0.988 528 Q CA 1.645 57.406 55.803 -0.070 0.000 0.843 528 Q CB -0.515 28.178 28.738 -0.075 0.000 0.908 528 Q HN 0.601 nan 8.270 nan 0.000 0.420 529 K N -0.140 120.221 120.400 -0.064 0.000 2.152 529 K HA -0.091 4.226 4.320 -0.005 0.000 0.206 529 K C 0.498 177.067 176.600 -0.052 0.000 1.048 529 K CA 0.905 57.159 56.287 -0.055 0.000 0.933 529 K CB 0.219 32.686 32.500 -0.055 0.000 0.721 529 K HN 0.100 nan 8.250 nan 0.000 0.447 530 M N 1.548 121.112 119.600 -0.060 0.000 2.634 530 M HA 0.187 4.663 4.480 -0.005 0.000 0.211 530 M C -2.220 174.038 176.300 -0.070 0.000 1.019 530 M CA -1.676 53.587 55.300 -0.062 0.000 0.834 530 M CB 1.147 33.707 32.600 -0.067 0.000 1.376 530 M HN -0.133 nan 8.290 nan 0.000 0.465 531 P HA -0.170 nan 4.420 nan 0.000 0.216 531 P C 1.048 178.306 177.300 -0.070 0.000 1.150 531 P CA 1.617 64.680 63.100 -0.062 0.000 0.843 531 P CB 0.286 31.959 31.700 -0.045 0.000 0.787 532 K N -1.126 119.238 120.400 -0.060 0.000 2.228 532 K HA 0.072 4.388 4.320 -0.005 0.000 0.202 532 K C 1.335 177.887 176.600 -0.080 0.000 1.051 532 K CA 0.080 56.336 56.287 -0.052 0.000 0.960 532 K CB -0.240 32.244 32.500 -0.028 0.000 0.743 532 K HN 0.145 nan 8.250 nan 0.000 0.458 533 L N 1.017 122.174 121.223 -0.109 0.000 2.461 533 L HA -0.015 4.322 4.340 -0.005 0.000 0.259 533 L C -0.102 176.604 176.870 -0.274 0.000 1.248 533 L CA 0.032 54.762 54.840 -0.184 0.000 0.823 533 L CB 0.084 42.045 42.059 -0.163 0.000 1.111 533 L HN 0.074 nan 8.230 nan 0.000 0.516 534 N N -0.438 117.975 118.700 -0.479 0.000 2.519 534 N HA 0.307 5.044 4.740 -0.005 0.000 0.286 534 N C -1.341 173.847 175.510 -0.536 0.000 1.079 534 N CA -0.243 52.468 53.050 -0.565 0.000 0.878 534 N CB 1.920 39.803 38.487 -1.006 0.000 1.375 534 N HN 0.151 nan 8.380 nan 0.000 0.514 535 V N 2.803 122.556 119.914 -0.269 0.000 2.277 535 V HA 0.281 4.398 4.120 -0.005 0.000 0.269 535 V C -0.160 175.912 176.094 -0.036 0.000 1.036 535 V CA -0.480 61.729 62.300 -0.151 0.000 0.821 535 V CB 0.387 32.150 31.823 -0.101 0.000 1.052 535 V HN 0.527 nan 8.190 nan 0.000 0.462 536 E N 3.242 123.468 120.200 0.042 0.000 2.197 536 E HA 0.489 4.836 4.350 -0.005 0.000 0.281 536 E C -0.972 175.766 176.600 0.230 0.000 0.995 536 E CA -0.594 55.920 56.400 0.190 0.000 0.808 536 E CB 2.627 32.544 29.700 0.363 0.000 1.093 536 E HN 0.353 nan 8.360 nan 0.000 0.394 537 V N 4.915 125.002 119.914 0.288 0.000 2.370 537 V HA 0.268 4.385 4.120 -0.005 0.000 0.279 537 V C -0.311 176.032 176.094 0.414 0.000 1.029 537 V CA -0.473 62.016 62.300 0.314 0.000 0.870 537 V CB 0.772 32.822 31.823 0.378 0.000 0.984 537 V HN 0.525 nan 8.190 nan 0.000 0.451 538 I N 5.221 125.997 120.570 0.343 0.000 2.355 538 I HA 0.533 4.700 4.170 -0.005 0.000 0.288 538 I C -0.280 176.073 176.117 0.394 0.000 0.999 538 I CA 0.266 61.840 61.300 0.458 0.000 1.163 538 I CB 1.268 39.586 38.000 0.530 0.000 1.316 538 I HN 0.514 nan 8.210 nan 0.000 0.454 539 D N 4.716 125.411 120.400 0.492 0.000 2.927 539 D HA 0.222 4.859 4.640 -0.005 0.000 0.219 539 D C -0.452 176.081 176.300 0.387 0.000 1.248 539 D CA -0.286 53.945 54.000 0.384 0.000 0.861 539 D CB 2.240 43.265 40.800 0.375 0.000 1.677 539 D HN 0.535 nan 8.370 nan 0.000 0.511 540 E N 1.184 121.504 120.200 0.199 0.000 2.624 540 E HA 0.092 4.439 4.350 -0.005 0.000 0.210 540 E C 0.043 176.719 176.600 0.126 0.000 0.997 540 E CA 0.042 56.518 56.400 0.126 0.000 0.999 540 E CB 0.712 30.392 29.700 -0.033 0.000 1.040 540 E HN 0.127 nan 8.360 nan 0.000 0.469 541 R N 0.112 120.693 120.500 0.136 0.000 2.791 541 R HA 0.369 4.706 4.340 -0.005 0.000 0.357 541 R C 0.430 176.779 176.300 0.082 0.000 1.173 541 R CA 0.068 56.217 56.100 0.081 0.000 1.060 541 R CB 0.840 31.164 30.300 0.040 0.000 1.406 541 R HN 0.137 nan 8.270 nan 0.000 0.580 542 G N 0.333 109.232 108.800 0.167 0.000 2.685 542 G HA2 0.013 3.969 3.960 -0.005 0.000 0.387 542 G HA3 0.013 3.969 3.960 -0.005 0.000 0.387 542 G C -0.393 174.557 174.900 0.084 0.000 1.324 542 G CA -0.753 44.443 45.100 0.160 0.000 0.878 542 G HN 0.485 nan 8.290 nan 0.000 0.527 543 A N 0.338 123.142 122.820 -0.027 0.000 2.561 543 A HA 0.553 4.870 4.320 -0.005 0.000 0.234 543 A C -0.416 176.804 177.584 -0.607 0.000 1.055 543 A CA 0.609 52.401 52.037 -0.408 0.000 0.756 543 A CB 0.101 18.968 19.000 -0.222 0.000 0.986 543 A HN 0.600 nan 8.150 nan 0.000 0.505 544 P HA -0.036 nan 4.420 nan 0.000 0.233 544 P C 0.095 176.829 177.300 -0.944 0.000 1.167 544 P CA 1.217 63.604 63.100 -1.188 0.000 0.770 544 P CB 0.069 30.529 31.700 -2.068 0.000 0.837 545 D N -0.896 119.165 120.400 -0.566 0.000 2.289 545 D HA -0.094 4.543 4.640 -0.005 0.000 0.207 545 D C 1.527 177.743 176.300 -0.140 0.000 0.966 545 D CA 0.701 54.590 54.000 -0.185 0.000 0.868 545 D CB -1.290 39.469 40.800 -0.069 0.000 0.943 545 D HN 0.104 nan 8.370 nan 0.000 0.514 546 S N -0.698 114.896 115.700 -0.176 0.000 2.571 546 S HA -0.091 4.376 4.470 -0.005 0.000 0.245 546 S C 0.822 175.366 174.600 -0.093 0.000 0.976 546 S CA 0.157 58.293 58.200 -0.107 0.000 0.954 546 S CB -0.395 62.752 63.200 -0.088 0.000 0.756 546 S HN 0.168 nan 8.310 nan 0.000 0.535 547 R N 1.092 121.519 120.500 -0.121 0.000 2.750 547 R HA 0.459 4.796 4.340 -0.005 0.000 0.281 547 R C -3.196 173.088 176.300 -0.026 0.000 0.972 547 R CA -2.553 53.501 56.100 -0.078 0.000 0.912 547 R CB 1.051 31.288 30.300 -0.107 0.000 1.187 547 R HN 0.042 nan 8.270 nan 0.000 0.464 548 P HA -0.057 nan 4.420 nan 0.000 0.260 548 P C 0.006 177.356 177.300 0.084 0.000 1.185 548 P CA 0.421 63.541 63.100 0.034 0.000 0.763 548 P CB 0.562 32.273 31.700 0.018 0.000 0.776 549 E N 2.095 122.369 120.200 0.124 0.000 2.315 549 E HA -0.298 4.049 4.350 -0.005 0.000 0.215 549 E C 1.504 178.161 176.600 0.094 0.000 1.069 549 E CA 2.333 58.823 56.400 0.149 0.000 0.859 549 E CB -0.126 29.584 29.700 0.018 0.000 0.743 549 E HN 0.564 nan 8.360 nan 0.000 0.469 550 S N -1.156 114.574 115.700 0.051 0.000 2.558 550 S HA 0.042 4.509 4.470 -0.005 0.000 0.217 550 S C 0.768 175.390 174.600 0.036 0.000 0.975 550 S CA -0.298 57.918 58.200 0.027 0.000 0.912 550 S CB -0.079 63.126 63.200 0.008 0.000 0.776 550 S HN 0.146 nan 8.310 nan 0.000 0.526 551 C N 4.175 123.505 119.300 0.051 0.000 2.637 551 C HA 0.396 4.853 4.460 -0.005 0.000 0.418 551 C C -2.171 172.850 174.990 0.052 0.000 1.319 551 C CA -1.263 57.778 59.018 0.038 0.000 1.949 551 C CB -0.040 27.712 27.740 0.020 0.000 2.639 551 C HN 0.362 nan 8.230 nan 0.000 0.594 552 P HA 0.137 nan 4.420 nan 0.000 0.267 552 P C -0.110 177.212 177.300 0.037 0.000 1.205 552 P CA 0.140 63.261 63.100 0.034 0.000 0.765 552 P CB 0.170 31.881 31.700 0.019 0.000 0.828 553 V N 1.208 121.154 119.914 0.053 0.000 2.924 553 V HA 0.106 4.222 4.120 -0.005 0.000 0.305 553 V C 1.381 177.501 176.094 0.043 0.000 1.073 553 V CA 0.030 62.360 62.300 0.050 0.000 1.098 553 V CB 0.262 32.133 31.823 0.081 0.000 1.000 553 V HN 0.509 nan 8.190 nan 0.000 0.484 554 E N 2.069 122.307 120.200 0.064 0.000 2.118 554 E HA -0.069 4.278 4.350 -0.005 0.000 0.195 554 E C 0.244 176.884 176.600 0.067 0.000 0.992 554 E CA 1.495 57.942 56.400 0.078 0.000 0.804 554 E CB 0.085 29.851 29.700 0.111 0.000 0.741 554 E HN 0.752 nan 8.360 nan 0.000 0.458 555 R N -0.842 119.672 120.500 0.022 0.000 2.594 555 R HA 0.465 4.802 4.340 -0.005 0.000 0.265 555 R C -1.722 174.450 176.300 -0.212 0.000 1.070 555 R CA -0.449 55.553 56.100 -0.164 0.000 0.909 555 R CB 2.426 32.635 30.300 -0.152 0.000 1.243 555 R HN -0.085 nan 8.270 nan 0.000 0.455 556 V N 2.984 122.669 119.914 -0.382 0.000 2.789 556 V HA 0.706 4.822 4.120 -0.005 0.000 0.311 556 V C -1.853 174.049 176.094 -0.320 0.000 1.073 556 V CA -0.693 61.474 62.300 -0.221 0.000 0.921 556 V CB 1.987 33.759 31.823 -0.085 0.000 1.009 556 V HN 0.691 nan 8.190 nan 0.000 0.426 557 F N 7.461 127.262 119.950 -0.248 0.000 2.513 557 F HA 0.687 5.211 4.527 -0.006 0.000 0.358 557 F C -0.753 175.126 175.800 0.132 0.000 1.118 557 F CA -1.264 56.683 58.000 -0.087 0.000 1.037 557 F CB 0.892 39.972 39.000 0.133 0.000 1.276 557 F HN 0.394 nan 8.300 nan 0.000 0.446 558 I N 7.026 127.555 120.570 -0.068 0.000 2.440 558 I HA 0.374 4.541 4.170 -0.005 0.000 0.294 558 I C -1.001 174.949 176.117 -0.279 0.000 0.995 558 I CA -0.539 60.637 61.300 -0.206 0.000 1.306 558 I CB 1.136 39.071 38.000 -0.108 0.000 1.407 558 I HN 0.537 nan 8.210 nan 0.000 0.501 559 Y N 3.804 123.876 120.300 -0.380 0.000 2.436 559 Y HA 0.553 5.100 4.550 -0.005 0.000 0.327 559 Y C -0.632 175.196 175.900 -0.120 0.000 1.138 559 Y CA -1.679 56.257 58.100 -0.274 0.000 1.042 559 Y CB 0.740 38.953 38.460 -0.413 0.000 1.302 559 Y HN 0.611 nan 8.280 nan 0.000 0.439 560 R N 1.425 121.961 120.500 0.059 0.000 2.756 560 R HA 0.518 4.855 4.340 -0.005 0.000 0.264 560 R C -0.526 175.866 176.300 0.153 0.000 1.026 560 R CA 0.346 56.475 56.100 0.047 0.000 1.121 560 R CB 0.911 31.250 30.300 0.066 0.000 0.999 560 R HN 0.933 nan 8.270 nan 0.000 0.449 561 T N -0.680 113.930 114.554 0.093 0.000 2.830 561 T HA 0.280 4.627 4.350 -0.005 0.000 0.322 561 T C -0.231 174.525 174.700 0.093 0.000 1.501 561 T CA -0.404 61.790 62.100 0.157 0.000 1.036 561 T CB 1.679 70.679 68.868 0.219 0.000 1.379 561 T HN 0.648 nan 8.240 nan 0.000 0.493 562 V N 0.735 120.715 119.914 0.111 0.000 3.176 562 V HA 0.794 4.911 4.120 -0.005 0.000 0.332 562 V C 1.089 177.232 176.094 0.081 0.000 1.414 562 V CA 0.723 63.071 62.300 0.080 0.000 1.133 562 V CB 0.015 31.886 31.823 0.080 0.000 1.088 562 V HN 0.958 nan 8.190 nan 0.000 0.473 563 A N -0.175 122.705 122.820 0.101 0.000 2.469 563 A HA 0.742 5.058 4.320 -0.005 0.000 0.245 563 A C 1.468 179.090 177.584 0.064 0.000 1.221 563 A CA 0.577 52.678 52.037 0.106 0.000 0.946 563 A CB -0.211 18.888 19.000 0.165 0.000 1.049 563 A HN 1.788 nan 8.150 nan 0.000 0.529 564 G N 0.215 109.029 108.800 0.024 0.000 2.692 564 G HA2 -0.155 3.802 3.960 -0.005 0.000 0.248 564 G HA3 -0.155 3.802 3.960 -0.005 0.000 0.248 564 G C -2.789 172.055 174.900 -0.094 0.000 1.340 564 G CA -0.317 44.757 45.100 -0.043 0.000 0.896 564 G HN 0.337 nan 8.290 nan 0.000 0.570 565 P HA 0.322 nan 4.420 nan 0.000 0.269 565 P C 0.329 177.389 177.300 -0.401 0.000 1.209 565 P CA -0.029 62.916 63.100 -0.258 0.000 0.776 565 P CB 0.407 31.945 31.700 -0.269 0.000 0.876 566 R N 1.486 121.783 120.500 -0.338 0.000 2.583 566 R HA 0.364 4.701 4.340 -0.005 0.000 0.268 566 R C -0.229 175.797 176.300 -0.456 0.000 1.101 566 R CA -0.210 55.687 56.100 -0.338 0.000 1.180 566 R CB 0.021 30.084 30.300 -0.394 0.000 1.128 566 R HN 0.261 nan 8.270 nan 0.000 0.568 567 F N -0.469 119.440 119.950 -0.068 0.000 2.721 567 F HA 0.103 4.627 4.527 -0.005 0.000 0.301 567 F C 0.538 176.291 175.800 -0.079 0.000 1.096 567 F CA -0.150 57.813 58.000 -0.062 0.000 1.308 567 F CB 0.299 39.280 39.000 -0.032 0.000 1.086 567 F HN 0.647 nan 8.300 nan 0.000 0.587 568 D N -0.866 119.559 120.400 0.041 0.000 2.501 568 D HA 0.084 4.721 4.640 -0.005 0.000 0.226 568 D C 0.274 176.512 176.300 -0.104 0.000 1.198 568 D CA -0.004 54.014 54.000 0.031 0.000 0.830 568 D CB -0.556 40.363 40.800 0.198 0.000 1.014 568 D HN 0.091 nan 8.370 nan 0.000 0.496 569 M N 2.475 121.940 119.600 -0.225 0.000 2.427 569 M HA 0.140 4.617 4.480 -0.005 0.000 0.345 569 M C -1.623 174.468 176.300 -0.349 0.000 1.653 569 M CA -1.088 53.996 55.300 -0.359 0.000 1.138 569 M CB 0.162 32.541 32.600 -0.369 0.000 1.995 569 M HN 0.003 nan 8.290 nan 0.000 0.459 570 P HA -0.133 nan 4.420 nan 0.000 0.277 570 P C 0.593 177.511 177.300 -0.635 0.000 1.388 570 P CA 0.485 63.270 63.100 -0.526 0.000 1.019 570 P CB 0.306 31.455 31.700 -0.918 0.000 1.111 571 G N -2.006 106.417 108.800 -0.628 0.000 2.939 571 G HA2 0.110 4.066 3.960 -0.005 0.000 0.216 571 G HA3 0.110 4.066 3.960 -0.005 0.000 0.216 571 G C 0.653 175.177 174.900 -0.626 0.000 1.125 571 G CA -0.108 44.717 45.100 -0.458 0.000 0.766 571 G HN 0.497 nan 8.290 nan 0.000 0.541 572 F N 0.392 120.056 119.950 -0.476 0.000 2.730 572 F HA 0.695 5.219 4.527 -0.005 0.000 0.295 572 F C -0.515 174.853 175.800 -0.720 0.000 1.143 572 F CA -1.393 56.245 58.000 -0.603 0.000 1.367 572 F CB -0.055 38.883 39.000 -0.103 0.000 0.970 572 F HN -0.206 nan 8.300 nan 0.000 0.514 573 V N 0.931 120.164 119.914 -1.135 0.000 2.656 573 V HA 0.393 4.509 4.120 -0.005 0.000 0.307 573 V C -1.177 174.501 176.094 -0.694 0.000 1.051 573 V CA -0.869 61.054 62.300 -0.628 0.000 0.893 573 V CB 2.135 33.689 31.823 -0.447 0.000 0.999 573 V HN 0.328 nan 8.190 nan 0.000 0.426 574 W N 2.841 124.150 121.300 0.015 0.000 2.884 574 W HA 0.404 5.061 4.660 -0.006 0.000 0.336 574 W C -0.375 176.154 176.519 0.017 0.000 1.038 574 W CA -0.977 56.376 57.345 0.015 0.000 1.247 574 W CB 2.029 31.520 29.460 0.052 0.000 1.351 574 W HN 0.597 nan 8.180 nan 0.000 0.446 575 N N 2.625 121.414 118.700 0.148 0.000 2.524 575 N HA 0.476 5.213 4.740 -0.005 0.000 0.283 575 N C 0.195 175.750 175.510 0.076 0.000 1.142 575 N CA 0.148 53.233 53.050 0.058 0.000 0.984 575 N CB 0.938 39.396 38.487 -0.049 0.000 1.155 575 N HN 0.158 nan 8.380 nan 0.000 0.467 576 M N 0.000 119.615 119.600 0.025 0.000 2.572 576 M HA 0.000 4.477 4.480 -0.005 0.000 0.227 576 M CA 0.000 55.303 55.300 0.005 0.000 0.988 576 M CB 0.000 32.594 32.600 -0.011 0.000 1.302 576 M HN 0.000 nan 8.290 nan 0.000 0.411