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 3c6o_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 0.000 177.284 177.300 -0.026 0.000 1.155 10 P CA 0.000 63.101 63.100 0.002 0.000 0.800 10 P CB 0.000 31.703 31.700 0.005 0.000 0.726 11 E N 1.685 121.875 120.200 -0.017 0.000 2.755 11 E HA -0.430 3.916 4.350 -0.006 0.000 0.241 11 E C 1.167 177.740 176.600 -0.045 0.000 0.977 11 E CA 2.544 58.927 56.400 -0.028 0.000 1.398 11 E CB 0.233 29.937 29.700 0.007 0.000 1.343 11 E HN 0.545 nan 8.360 nan 0.000 0.482 12 E N -0.166 120.020 120.200 -0.023 0.000 2.086 12 E HA -0.204 4.142 4.350 -0.006 0.000 0.200 12 E C 2.325 178.912 176.600 -0.022 0.000 1.012 12 E CA 1.614 58.007 56.400 -0.012 0.000 0.812 12 E CB -0.727 28.964 29.700 -0.015 0.000 0.743 12 E HN 0.361 nan 8.360 nan 0.000 0.453 13 V N 1.884 121.768 119.914 -0.051 0.000 2.343 13 V HA -0.235 3.881 4.120 -0.006 0.000 0.247 13 V C 2.601 178.617 176.094 -0.131 0.000 1.051 13 V CA 1.451 63.715 62.300 -0.059 0.000 1.036 13 V CB -0.651 31.134 31.823 -0.063 0.000 0.654 13 V HN 0.165 nan 8.190 nan 0.000 0.451 14 L N -0.273 120.795 121.223 -0.259 0.000 1.970 14 L HA -0.238 4.098 4.340 -0.006 0.000 0.212 14 L C 2.615 179.149 176.870 -0.560 0.000 1.071 14 L CA 2.175 56.645 54.840 -0.616 0.000 0.751 14 L CB -0.823 40.809 42.059 -0.711 0.000 0.889 14 L HN 0.358 nan 8.230 nan 0.000 0.432 15 E N 0.012 120.101 120.200 -0.185 0.000 2.181 15 E HA -0.362 3.984 4.350 -0.006 0.000 0.225 15 E C 2.070 178.684 176.600 0.023 0.000 1.073 15 E CA 2.362 58.777 56.400 0.025 0.000 0.916 15 E CB -0.241 29.497 29.700 0.064 0.000 0.793 15 E HN 0.435 nan 8.360 nan 0.000 0.472 16 H N -1.319 117.715 119.070 -0.060 0.000 2.357 16 H HA -0.002 4.550 4.556 -0.006 0.000 0.301 16 H C 2.006 177.403 175.328 0.114 0.000 1.082 16 H CA 1.666 57.715 56.048 0.001 0.000 1.342 16 H CB -0.063 29.725 29.762 0.045 0.000 1.389 16 H HN 0.091 nan 8.280 nan 0.000 0.511 17 V N 0.130 120.128 119.914 0.140 0.000 2.332 17 V HA -0.289 3.827 4.120 -0.006 0.000 0.248 17 V C 2.095 178.309 176.094 0.200 0.000 1.055 17 V CA 1.920 64.310 62.300 0.149 0.000 1.038 17 V CB -0.773 30.963 31.823 -0.146 0.000 0.651 17 V HN 0.449 nan 8.190 nan 0.000 0.450 18 F N 1.050 121.000 119.950 -0.001 0.000 2.234 18 F HA -0.169 4.354 4.527 -0.006 0.000 0.299 18 F C 2.751 178.505 175.800 -0.077 0.000 1.087 18 F CA 0.865 58.837 58.000 -0.047 0.000 1.340 18 F CB -0.254 38.693 39.000 -0.088 0.000 1.031 18 F HN 0.324 nan 8.300 nan 0.000 0.500 19 S N 0.261 115.955 115.700 -0.011 0.000 2.399 19 S HA -0.238 4.229 4.470 -0.006 0.000 0.231 19 S C 1.551 175.962 174.600 -0.314 0.000 1.022 19 S CA 1.019 59.062 58.200 -0.261 0.000 0.983 19 S CB -1.272 61.598 63.200 -0.551 0.000 0.803 19 S HN 0.343 nan 8.310 nan 0.000 0.480 20 F N 1.709 121.641 119.950 -0.030 0.000 2.604 20 F HA 0.309 4.832 4.527 -0.006 0.000 0.298 20 F C 0.852 176.659 175.800 0.010 0.000 1.131 20 F CA 0.137 58.128 58.000 -0.014 0.000 1.457 20 F CB -0.093 38.906 39.000 -0.003 0.000 1.095 20 F HN 0.172 nan 8.300 nan 0.000 0.574 21 I N 1.360 122.027 120.570 0.163 0.000 2.312 21 I HA 0.164 4.330 4.170 -0.006 0.000 0.290 21 I C 0.233 176.368 176.117 0.030 0.000 1.008 21 I CA -0.097 61.273 61.300 0.118 0.000 1.226 21 I CB 1.393 39.482 38.000 0.149 0.000 1.371 21 I HN 0.131 nan 8.210 nan 0.000 0.468 22 Q N 3.829 123.635 119.800 0.010 0.000 2.140 22 Q HA 0.271 4.607 4.340 -0.006 0.000 0.227 22 Q C -0.312 175.661 176.000 -0.046 0.000 0.798 22 Q CA -0.377 55.404 55.803 -0.036 0.000 0.987 22 Q CB 1.416 30.128 28.738 -0.043 0.000 1.161 22 Q HN 0.426 nan 8.270 nan 0.000 0.480 23 L N 2.471 123.679 121.223 -0.025 0.000 2.290 23 L HA 0.175 4.511 4.340 -0.006 0.000 0.284 23 L C 1.069 177.918 176.870 -0.035 0.000 1.078 23 L CA 0.507 55.329 54.840 -0.031 0.000 0.815 23 L CB 0.909 42.964 42.059 -0.006 0.000 1.162 23 L HN -0.022 nan 8.230 nan 0.000 0.435 24 D N 2.996 123.367 120.400 -0.048 0.000 2.106 24 D HA -0.212 4.425 4.640 -0.006 0.000 0.191 24 D C 1.595 177.899 176.300 0.005 0.000 0.997 24 D CA 1.702 55.685 54.000 -0.028 0.000 0.834 24 D CB 0.370 41.170 40.800 0.001 0.000 0.956 24 D HN 0.562 nan 8.370 nan 0.000 0.448 25 K N 0.410 120.819 120.400 0.015 0.000 2.152 25 K HA -0.137 4.179 4.320 -0.006 0.000 0.206 25 K C 1.604 178.231 176.600 0.045 0.000 1.048 25 K CA 0.986 57.295 56.287 0.037 0.000 0.933 25 K CB 0.046 32.567 32.500 0.035 0.000 0.721 25 K HN 0.151 nan 8.250 nan 0.000 0.447 26 D N 0.057 120.478 120.400 0.036 0.000 2.194 26 D HA -0.053 4.583 4.640 -0.006 0.000 0.204 26 D C 2.006 178.334 176.300 0.046 0.000 0.964 26 D CA 0.584 54.618 54.000 0.056 0.000 0.846 26 D CB 0.187 41.023 40.800 0.060 0.000 0.962 26 D HN 0.098 nan 8.370 nan 0.000 0.490 27 R N 0.939 121.441 120.500 0.004 0.000 2.064 27 R HA -0.064 4.272 4.340 -0.006 0.000 0.228 27 R C 1.879 178.180 176.300 0.002 0.000 1.144 27 R CA 0.663 56.736 56.100 -0.045 0.000 0.932 27 R CB -0.888 29.352 30.300 -0.099 0.000 0.833 27 R HN 0.150 nan 8.270 nan 0.000 0.429 28 N N 0.701 119.428 118.700 0.044 0.000 2.171 28 N HA -0.236 4.500 4.740 -0.006 0.000 0.200 28 N C 1.720 177.294 175.510 0.107 0.000 0.991 28 N CA 2.048 55.155 53.050 0.095 0.000 0.906 28 N CB -0.690 37.855 38.487 0.096 0.000 1.060 28 N HN 0.151 nan 8.380 nan 0.000 0.510 29 S N -0.120 115.638 115.700 0.097 0.000 2.371 29 S HA -0.055 4.411 4.470 -0.006 0.000 0.224 29 S C 2.074 176.770 174.600 0.160 0.000 1.029 29 S CA 1.200 59.468 58.200 0.115 0.000 0.978 29 S CB -0.427 62.837 63.200 0.107 0.000 0.833 29 S HN 0.291 nan 8.310 nan 0.000 0.466 30 V N 1.892 121.916 119.914 0.183 0.000 2.490 30 V HA -0.051 4.065 4.120 -0.006 0.000 0.250 30 V C 2.176 178.451 176.094 0.301 0.000 1.061 30 V CA 2.426 64.922 62.300 0.327 0.000 1.064 30 V CB -1.261 30.710 31.823 0.246 0.000 0.670 30 V HN 0.692 nan 8.190 nan 0.000 0.461 31 S N -0.107 115.696 115.700 0.172 0.000 2.481 31 S HA 0.095 4.561 4.470 -0.006 0.000 0.231 31 S C 1.648 176.431 174.600 0.305 0.000 0.996 31 S CA 1.344 59.668 58.200 0.207 0.000 0.942 31 S CB -0.575 62.700 63.200 0.127 0.000 0.768 31 S HN 0.603 nan 8.310 nan 0.000 0.520 32 L N 1.874 123.228 121.223 0.217 0.000 2.741 32 L HA 0.310 4.646 4.340 -0.006 0.000 0.237 32 L C 1.922 178.840 176.870 0.079 0.000 1.178 32 L CA 0.014 54.947 54.840 0.155 0.000 0.973 32 L CB 0.619 42.747 42.059 0.115 0.000 1.255 32 L HN 0.380 nan 8.230 nan 0.000 0.498 33 V N -1.779 118.170 119.914 0.059 0.000 2.500 33 V HA 0.041 4.157 4.120 -0.006 0.000 0.243 33 V C 0.738 176.743 176.094 -0.148 0.000 1.039 33 V CA 0.929 63.145 62.300 -0.140 0.000 1.053 33 V CB 0.578 32.127 31.823 -0.456 0.000 0.695 33 V HN 0.522 nan 8.190 nan 0.000 0.463 34 C N -2.306 116.969 119.300 -0.041 0.000 3.295 34 C HA 0.482 4.938 4.460 -0.006 0.000 0.341 34 C C 1.168 176.259 174.990 0.168 0.000 1.418 34 C CA -0.513 58.515 59.018 0.016 0.000 1.240 34 C CB 1.104 28.810 27.740 -0.057 0.000 1.562 34 C HN 0.363 nan 8.230 nan 0.000 0.457 35 K N 0.723 121.202 120.400 0.132 0.000 2.074 35 K HA -0.158 4.158 4.320 -0.006 0.000 0.209 35 K C 2.211 178.995 176.600 0.306 0.000 1.048 35 K CA 2.125 58.510 56.287 0.164 0.000 0.926 35 K CB -0.389 32.162 32.500 0.086 0.000 0.713 35 K HN 0.708 nan 8.250 nan 0.000 0.444 36 S N -0.205 115.683 115.700 0.313 0.000 2.368 36 S HA -0.127 4.339 4.470 -0.006 0.000 0.224 36 S C 1.578 176.499 174.600 0.535 0.000 1.029 36 S CA 0.861 59.289 58.200 0.381 0.000 0.988 36 S CB -0.173 63.242 63.200 0.359 0.000 0.838 36 S HN 0.348 nan 8.310 nan 0.000 0.462 37 W N 0.971 122.434 121.300 0.270 0.000 2.388 37 W HA 0.016 4.673 4.660 -0.006 0.000 0.294 37 W C 2.148 178.820 176.519 0.254 0.000 1.212 37 W CA 0.309 57.858 57.345 0.339 0.000 1.271 37 W CB -1.473 28.195 29.460 0.346 0.000 1.126 37 W HN 0.493 nan 8.180 nan 0.000 0.535 38 Y N 1.578 122.089 120.300 0.352 0.000 2.193 38 Y HA -0.293 4.254 4.550 -0.006 0.000 0.285 38 Y C 2.198 178.218 175.900 0.199 0.000 1.166 38 Y CA 2.279 60.506 58.100 0.211 0.000 1.181 38 Y CB -0.141 38.408 38.460 0.148 0.000 0.976 38 Y HN -0.116 nan 8.280 nan 0.000 0.520 39 E N 0.139 120.582 120.200 0.406 0.000 2.042 39 E HA -0.089 4.257 4.350 -0.006 0.000 0.189 39 E C 2.376 179.200 176.600 0.373 0.000 0.974 39 E CA 1.223 57.850 56.400 0.379 0.000 0.806 39 E CB -0.385 29.565 29.700 0.416 0.000 0.769 39 E HN 0.564 nan 8.360 nan 0.000 0.451 40 I N 1.761 122.536 120.570 0.342 0.000 2.151 40 I HA -0.276 3.890 4.170 -0.006 0.000 0.243 40 I C 2.672 178.953 176.117 0.274 0.000 1.080 40 I CA 1.298 62.800 61.300 0.338 0.000 1.339 40 I CB -0.327 37.889 38.000 0.359 0.000 1.039 40 I HN 0.102 nan 8.210 nan 0.000 0.409 41 E N 1.987 122.234 120.200 0.079 0.000 2.058 41 E HA -0.259 4.087 4.350 -0.006 0.000 0.194 41 E C 2.296 178.886 176.600 -0.017 0.000 0.997 41 E CA 1.775 58.059 56.400 -0.193 0.000 0.801 41 E CB -0.093 29.367 29.700 -0.400 0.000 0.746 41 E HN 0.575 nan 8.360 nan 0.000 0.450 42 R N -1.087 119.402 120.500 -0.019 0.000 2.115 42 R HA -0.114 4.222 4.340 -0.006 0.000 0.230 42 R C 2.207 178.538 176.300 0.052 0.000 1.111 42 R CA 1.407 57.529 56.100 0.037 0.000 0.976 42 R CB -1.029 29.002 30.300 -0.449 0.000 0.870 42 R HN 0.162 nan 8.270 nan 0.000 0.445 43 W N 1.464 122.820 121.300 0.094 0.000 2.467 43 W HA -0.036 4.621 4.660 -0.006 0.000 0.275 43 W C 1.412 177.994 176.519 0.105 0.000 1.239 43 W CA 0.548 57.958 57.345 0.108 0.000 1.266 43 W CB 0.188 29.704 29.460 0.092 0.000 1.112 43 W HN 0.364 nan 8.180 nan 0.000 0.576 44 C N -0.776 118.682 119.300 0.263 0.000 2.638 44 C HA 0.489 4.946 4.460 -0.006 0.000 0.282 44 C C 0.537 175.555 174.990 0.046 0.000 1.473 44 C CA -0.893 58.222 59.018 0.162 0.000 1.781 44 C CB -1.571 26.265 27.740 0.159 0.000 2.780 44 C HN 0.047 nan 8.230 nan 0.000 0.531 45 R N 1.354 121.864 120.500 0.017 0.000 2.248 45 R HA 0.335 4.671 4.340 -0.006 0.000 0.328 45 R C 1.150 177.369 176.300 -0.134 0.000 1.067 45 R CA -0.186 55.835 56.100 -0.132 0.000 0.924 45 R CB 0.449 30.541 30.300 -0.347 0.000 1.013 45 R HN 0.586 nan 8.270 nan 0.000 0.454 46 R N 2.440 122.853 120.500 -0.144 0.000 2.090 46 R HA -0.005 4.331 4.340 -0.006 0.000 0.219 46 R C 0.045 176.249 176.300 -0.161 0.000 1.100 46 R CA 1.129 57.155 56.100 -0.123 0.000 0.991 46 R CB 0.239 30.474 30.300 -0.109 0.000 0.893 46 R HN 0.507 nan 8.270 nan 0.000 0.443 47 K N 0.238 120.526 120.400 -0.186 0.000 2.426 47 K HA 0.423 4.739 4.320 -0.006 0.000 0.251 47 K C -0.792 175.682 176.600 -0.211 0.000 0.941 47 K CA -0.949 55.233 56.287 -0.174 0.000 0.808 47 K CB 2.436 34.865 32.500 -0.118 0.000 1.265 47 K HN -0.125 nan 8.250 nan 0.000 0.432 48 V N -0.332 119.489 119.914 -0.155 0.000 2.555 48 V HA 0.609 4.725 4.120 -0.006 0.000 0.302 48 V C -0.942 175.161 176.094 0.016 0.000 1.038 48 V CA -0.902 61.331 62.300 -0.111 0.000 0.887 48 V CB 0.968 32.748 31.823 -0.072 0.000 0.991 48 V HN 0.802 nan 8.190 nan 0.000 0.434 49 F N 5.629 125.517 119.950 -0.103 0.000 2.385 49 F HA 0.742 5.265 4.527 -0.006 0.000 0.360 49 F C -0.370 175.396 175.800 -0.056 0.000 1.122 49 F CA -1.262 56.691 58.000 -0.079 0.000 1.090 49 F CB 1.030 39.992 39.000 -0.063 0.000 1.150 49 F HN 0.500 nan 8.300 nan 0.000 0.472 50 I N 6.697 126.901 120.570 -0.610 0.000 2.503 50 I HA 0.227 4.393 4.170 -0.006 0.000 0.277 50 I C 1.212 176.857 176.117 -0.785 0.000 1.078 50 I CA -0.362 60.588 61.300 -0.583 0.000 1.184 50 I CB 1.267 39.037 38.000 -0.384 0.000 1.353 50 I HN 0.910 nan 8.210 nan 0.000 0.490 51 G N 3.962 112.143 108.800 -1.032 0.000 2.535 51 G HA2 -0.181 3.775 3.960 -0.006 0.000 0.218 51 G HA3 -0.181 3.775 3.960 -0.006 0.000 0.218 51 G C 0.564 175.305 174.900 -0.265 0.000 1.122 51 G CA 0.485 45.176 45.100 -0.682 0.000 0.769 51 G HN 0.527 nan 8.290 nan 0.000 0.549 52 N N -0.929 117.646 118.700 -0.209 0.000 2.549 52 N HA 0.084 4.820 4.740 -0.006 0.000 0.290 52 N C 0.883 176.337 175.510 -0.093 0.000 1.122 52 N CA -0.359 52.638 53.050 -0.088 0.000 0.885 52 N CB 0.653 39.145 38.487 0.009 0.000 1.455 52 N HN -0.012 nan 8.380 nan 0.000 0.521 53 C N 2.088 121.277 119.300 -0.185 0.000 2.468 53 C HA 0.207 4.663 4.460 -0.006 0.000 0.277 53 C C 1.589 176.610 174.990 0.053 0.000 1.400 53 C CA -0.051 58.842 59.018 -0.209 0.000 1.770 53 C CB -1.788 25.704 27.740 -0.413 0.000 1.905 53 C HN 0.731 nan 8.230 nan 0.000 0.519 54 Y N 1.222 121.628 120.300 0.177 0.000 2.490 54 Y HA 0.313 4.859 4.550 -0.006 0.000 0.281 54 Y C 2.563 178.632 175.900 0.282 0.000 1.174 54 Y CA 0.277 58.516 58.100 0.231 0.000 1.295 54 Y CB -0.183 38.373 38.460 0.160 0.000 1.062 54 Y HN 0.328 nan 8.280 nan 0.000 0.522 55 A N -0.157 122.861 122.820 0.330 0.000 2.239 55 A HA 0.272 4.588 4.320 -0.006 0.000 0.209 55 A C 0.511 178.248 177.584 0.256 0.000 1.171 55 A CA 0.833 53.046 52.037 0.293 0.000 0.768 55 A CB -0.189 18.930 19.000 0.198 0.000 0.790 55 A HN 0.182 nan 8.150 nan 0.000 0.478 56 V N -1.583 118.507 119.914 0.293 0.000 3.298 56 V HA 0.460 4.576 4.120 -0.006 0.000 0.276 56 V C -1.189 175.062 176.094 0.262 0.000 1.699 56 V CA -0.121 62.330 62.300 0.251 0.000 1.039 56 V CB 2.146 34.122 31.823 0.254 0.000 1.243 56 V HN 0.635 nan 8.190 nan 0.000 0.472 57 S N 2.812 118.584 115.700 0.120 0.000 2.568 57 S HA 0.725 5.191 4.470 -0.006 0.000 0.302 57 S C -2.264 172.114 174.600 -0.370 0.000 1.082 57 S CA -1.168 56.976 58.200 -0.094 0.000 1.009 57 S CB 1.965 65.127 63.200 -0.063 0.000 1.069 57 S HN 0.541 nan 8.310 nan 0.000 0.500 58 P HA -0.199 nan 4.420 nan 0.000 0.216 58 P C 1.691 178.767 177.300 -0.372 0.000 1.167 58 P CA 2.552 65.066 63.100 -0.977 0.000 0.914 58 P CB -0.268 30.830 31.700 -1.003 0.000 0.793 59 A N -1.357 121.282 122.820 -0.301 0.000 1.940 59 A HA -0.232 4.084 4.320 -0.006 0.000 0.219 59 A C 2.294 179.805 177.584 -0.121 0.000 1.176 59 A CA 2.629 54.552 52.037 -0.190 0.000 0.631 59 A CB -1.944 16.959 19.000 -0.161 0.000 0.814 59 A HN 0.198 nan 8.150 nan 0.000 0.446 60 T N -0.487 114.016 114.554 -0.084 0.000 2.746 60 T HA -0.107 4.240 4.350 -0.006 0.000 0.267 60 T C 1.887 176.579 174.700 -0.013 0.000 1.039 60 T CA 1.598 63.679 62.100 -0.032 0.000 1.142 60 T CB -0.367 68.512 68.868 0.018 0.000 0.866 60 T HN 0.197 nan 8.240 nan 0.000 0.444 61 V N 1.159 121.106 119.914 0.055 0.000 2.244 61 V HA -0.094 4.022 4.120 -0.006 0.000 0.244 61 V C 2.366 178.539 176.094 0.131 0.000 1.042 61 V CA 1.414 63.831 62.300 0.196 0.000 1.006 61 V CB -0.616 31.447 31.823 0.400 0.000 0.641 61 V HN 0.423 nan 8.190 nan 0.000 0.446 62 I N 0.569 121.144 120.570 0.009 0.000 2.194 62 I HA -0.321 3.845 4.170 -0.006 0.000 0.246 62 I C 2.728 178.773 176.117 -0.120 0.000 1.093 62 I CA 2.329 63.539 61.300 -0.150 0.000 1.355 62 I CB -0.417 37.372 38.000 -0.351 0.000 1.046 62 I HN 0.369 nan 8.210 nan 0.000 0.413 63 R N 0.897 121.323 120.500 -0.123 0.000 2.153 63 R HA -0.106 4.230 4.340 -0.006 0.000 0.218 63 R C 2.334 178.502 176.300 -0.221 0.000 1.072 63 R CA 1.044 57.058 56.100 -0.143 0.000 0.990 63 R CB -0.309 29.928 30.300 -0.104 0.000 0.889 63 R HN 0.232 nan 8.270 nan 0.000 0.452 64 R N -0.119 120.212 120.500 -0.281 0.000 2.075 64 R HA 0.056 4.393 4.340 -0.006 0.000 0.226 64 R C -0.241 175.616 176.300 -0.739 0.000 1.114 64 R CA 0.951 56.710 56.100 -0.568 0.000 0.972 64 R CB 0.138 29.927 30.300 -0.852 0.000 0.869 64 R HN 0.206 nan 8.270 nan 0.000 0.437 65 F N 0.660 120.516 119.950 -0.156 0.000 2.451 65 F HA 0.365 4.888 4.527 -0.006 0.000 0.367 65 F C -1.832 173.963 175.800 -0.008 0.000 1.100 65 F CA -2.343 55.571 58.000 -0.143 0.000 1.171 65 F CB 2.101 41.078 39.000 -0.038 0.000 1.405 65 F HN 0.039 nan 8.300 nan 0.000 0.482 66 P HA 0.001 nan 4.420 nan 0.000 0.234 66 P C 0.329 177.825 177.300 0.326 0.000 1.175 66 P CA 0.771 63.926 63.100 0.091 0.000 0.801 66 P CB 0.307 31.846 31.700 -0.269 0.000 0.891 67 K N -0.027 120.512 120.400 0.232 0.000 2.811 67 K HA 0.260 4.576 4.320 -0.006 0.000 0.217 67 K C -0.389 176.278 176.600 0.112 0.000 1.115 67 K CA -0.314 56.129 56.287 0.259 0.000 1.179 67 K CB 0.379 33.077 32.500 0.329 0.000 0.994 67 K HN -0.068 nan 8.250 nan 0.000 0.464 68 V N 1.138 121.008 119.914 -0.074 0.000 2.530 68 V HA 0.088 4.205 4.120 -0.006 0.000 0.282 68 V C 1.012 176.876 176.094 -0.384 0.000 1.048 68 V CA 0.136 62.230 62.300 -0.343 0.000 0.997 68 V CB 1.216 32.692 31.823 -0.579 0.000 0.987 68 V HN 0.356 nan 8.190 nan 0.000 0.477 69 R N 2.272 122.643 120.500 -0.214 0.000 2.397 69 R HA 0.307 4.643 4.340 -0.006 0.000 0.241 69 R C 0.081 176.289 176.300 -0.152 0.000 0.914 69 R CA 0.227 56.246 56.100 -0.134 0.000 1.071 69 R CB 0.757 31.020 30.300 -0.061 0.000 1.116 69 R HN 0.604 nan 8.270 nan 0.000 0.524 70 S N -0.347 115.238 115.700 -0.193 0.000 2.584 70 S HA 0.418 4.884 4.470 -0.006 0.000 0.280 70 S C -1.719 172.801 174.600 -0.134 0.000 1.162 70 S CA -0.625 57.492 58.200 -0.138 0.000 0.951 70 S CB 1.311 64.445 63.200 -0.111 0.000 1.108 70 S HN -0.123 nan 8.310 nan 0.000 0.464 71 V N 4.452 124.305 119.914 -0.101 0.000 2.531 71 V HA 0.579 4.695 4.120 -0.006 0.000 0.301 71 V C -0.303 175.747 176.094 -0.073 0.000 1.034 71 V CA -0.569 61.682 62.300 -0.082 0.000 0.865 71 V CB 1.782 33.572 31.823 -0.054 0.000 0.995 71 V HN 0.877 nan 8.190 nan 0.000 0.424 72 E N 4.585 124.745 120.200 -0.067 0.000 2.187 72 E HA 0.702 5.048 4.350 -0.006 0.000 0.268 72 E C -1.783 174.693 176.600 -0.206 0.000 0.896 72 E CA -0.623 55.740 56.400 -0.062 0.000 0.766 72 E CB 1.702 31.458 29.700 0.095 0.000 1.142 72 E HN 0.578 nan 8.360 nan 0.000 0.408 73 L N 4.469 125.541 121.223 -0.252 0.000 2.381 73 L HA 0.466 4.803 4.340 -0.006 0.000 0.274 73 L C -0.657 176.046 176.870 -0.279 0.000 0.988 73 L CA -0.694 53.909 54.840 -0.396 0.000 0.824 73 L CB 1.815 43.534 42.059 -0.568 0.000 1.263 73 L HN 0.400 nan 8.230 nan 0.000 0.410 74 K N 1.671 121.903 120.400 -0.279 0.000 2.182 74 K HA 0.662 4.978 4.320 -0.006 0.000 0.262 74 K C 0.266 176.768 176.600 -0.163 0.000 0.957 74 K CA -0.629 55.559 56.287 -0.166 0.000 0.842 74 K CB 2.385 34.823 32.500 -0.104 0.000 1.099 74 K HN 0.671 nan 8.250 nan 0.000 0.438 75 G N 2.009 110.747 108.800 -0.103 0.000 3.434 75 G HA2 0.114 4.070 3.960 -0.006 0.000 0.192 75 G HA3 0.114 4.070 3.960 -0.006 0.000 0.192 75 G C -0.516 174.394 174.900 0.016 0.000 1.704 75 G CA -0.544 44.524 45.100 -0.054 0.000 0.936 75 G HN 0.480 nan 8.290 nan 0.000 0.623 76 K N 1.559 121.956 120.400 -0.004 0.000 2.606 76 K HA 0.035 4.351 4.320 -0.006 0.000 0.279 76 K C -2.162 174.247 176.600 -0.318 0.000 0.961 76 K CA -0.354 55.759 56.287 -0.291 0.000 1.002 76 K CB -0.015 32.298 32.500 -0.312 0.000 0.871 76 K HN 0.223 nan 8.250 nan 0.000 0.508 77 P HA -0.009 nan 4.420 nan 0.000 0.278 77 P C 0.359 177.483 177.300 -0.293 0.000 1.266 77 P CA -0.231 62.639 63.100 -0.384 0.000 0.807 77 P CB 0.462 31.774 31.700 -0.647 0.000 1.094 78 H N 0.282 119.223 119.070 -0.215 0.000 2.325 78 H HA -0.188 4.365 4.556 -0.006 0.000 0.293 78 H C 0.872 176.086 175.328 -0.190 0.000 1.106 78 H CA 1.540 57.505 56.048 -0.138 0.000 1.247 78 H CB -0.136 29.652 29.762 0.043 0.000 1.359 78 H HN 0.192 nan 8.280 nan 0.000 0.488 79 F N 0.764 120.279 119.950 -0.726 0.000 2.724 79 F HA 0.020 4.543 4.527 -0.006 0.000 0.297 79 F C 2.382 177.759 175.800 -0.705 0.000 1.200 79 F CA 0.575 58.136 58.000 -0.731 0.000 1.468 79 F CB -0.829 37.600 39.000 -0.953 0.000 1.116 79 F HN 0.258 nan 8.300 nan 0.000 0.599 80 A N -0.399 122.109 122.820 -0.519 0.000 2.015 80 A HA -0.147 4.169 4.320 -0.006 0.000 0.219 80 A C 1.937 179.284 177.584 -0.395 0.000 1.163 80 A CA 1.551 53.344 52.037 -0.407 0.000 0.646 80 A CB -0.447 18.343 19.000 -0.350 0.000 0.806 80 A HN 0.186 nan 8.150 nan 0.000 0.448 81 D N -0.794 119.238 120.400 -0.613 0.000 2.348 81 D HA -0.036 4.600 4.640 -0.006 0.000 0.216 81 D C 0.328 176.191 176.300 -0.728 0.000 0.970 81 D CA 0.767 54.368 54.000 -0.665 0.000 0.889 81 D CB -0.249 40.072 40.800 -0.798 0.000 0.912 81 D HN 0.539 nan 8.370 nan 0.000 0.524 82 F N -0.035 119.749 119.950 -0.277 0.000 2.639 82 F HA 0.214 4.737 4.527 -0.006 0.000 0.300 82 F C 0.493 176.207 175.800 -0.144 0.000 1.109 82 F CA -0.655 57.203 58.000 -0.237 0.000 1.335 82 F CB -0.560 38.196 39.000 -0.405 0.000 1.014 82 F HN -0.268 nan 8.300 nan 0.000 0.537 83 N N 0.050 118.719 118.700 -0.051 0.000 2.741 83 N HA -0.206 4.530 4.740 -0.006 0.000 0.251 83 N C 0.492 176.011 175.510 0.014 0.000 1.112 83 N CA 0.708 53.747 53.050 -0.018 0.000 0.750 83 N CB -1.620 36.879 38.487 0.019 0.000 1.119 83 N HN 0.362 nan 8.380 nan 0.000 0.561 84 L N -1.430 119.795 121.223 0.003 0.000 2.607 84 L HA 0.228 4.564 4.340 -0.006 0.000 0.228 84 L C 0.116 177.070 176.870 0.140 0.000 1.123 84 L CA 0.203 55.114 54.840 0.118 0.000 0.890 84 L CB 0.388 42.582 42.059 0.226 0.000 1.103 84 L HN -0.074 nan 8.230 nan 0.000 0.468 85 V N 1.049 120.948 119.914 -0.025 0.000 2.326 85 V HA 0.333 4.449 4.120 -0.006 0.000 0.281 85 V C -2.042 174.096 176.094 0.073 0.000 1.015 85 V CA -1.468 60.829 62.300 -0.005 0.000 0.823 85 V CB 1.220 32.856 31.823 -0.312 0.000 1.009 85 V HN 0.023 nan 8.190 nan 0.000 0.436 86 P HA 0.197 nan 4.420 nan 0.000 0.270 86 P C -0.748 176.700 177.300 0.247 0.000 1.223 86 P CA -0.395 62.749 63.100 0.072 0.000 0.785 86 P CB 0.463 32.029 31.700 -0.223 0.000 0.923 87 D N -0.237 120.264 120.400 0.169 0.000 2.362 87 D HA 0.377 5.013 4.640 -0.006 0.000 0.242 87 D C 1.538 178.075 176.300 0.395 0.000 1.132 87 D CA 0.667 54.804 54.000 0.230 0.000 0.907 87 D CB -0.128 40.755 40.800 0.138 0.000 1.195 87 D HN 0.648 nan 8.370 nan 0.000 0.429 88 G N 0.561 109.567 108.800 0.343 0.000 2.268 88 G HA2 -0.369 3.587 3.960 -0.006 0.000 0.240 88 G HA3 -0.369 3.587 3.960 -0.006 0.000 0.240 88 G C 1.053 176.133 174.900 0.300 0.000 1.010 88 G CA 0.333 45.646 45.100 0.356 0.000 0.618 88 G HN 0.598 nan 8.290 nan 0.000 0.516 89 W N 1.636 123.093 121.300 0.261 0.000 2.257 89 W HA 0.121 4.778 4.660 -0.006 0.000 0.325 89 W C 1.606 178.158 176.519 0.055 0.000 1.296 89 W CA 4.682 62.106 57.345 0.132 0.000 1.297 89 W CB -0.199 29.389 29.460 0.214 0.000 1.131 89 W HN 1.507 nan 8.180 nan 0.000 0.492 90 G N -4.170 104.698 108.800 0.112 0.000 2.339 90 G HA2 0.409 4.366 3.960 -0.006 0.000 0.275 90 G HA3 0.409 4.366 3.960 -0.006 0.000 0.275 90 G C 0.358 175.259 174.900 0.001 0.000 1.323 90 G CA 0.339 45.346 45.100 -0.155 0.000 0.927 90 G HN 1.123 nan 8.290 nan 0.000 0.486 91 G N -1.932 106.944 108.800 0.127 0.000 2.179 91 G HA2 -0.097 3.859 3.960 -0.006 0.000 0.220 91 G HA3 -0.097 3.859 3.960 -0.006 0.000 0.220 91 G C 0.332 175.206 174.900 -0.043 0.000 0.990 91 G CA 0.513 45.634 45.100 0.036 0.000 0.646 91 G HN 1.414 nan 8.290 nan 0.000 0.517 92 Y N -0.185 120.247 120.300 0.219 0.000 2.544 92 Y HA 0.316 4.863 4.550 -0.006 0.000 0.330 92 Y C 1.566 177.613 175.900 0.246 0.000 1.136 92 Y CA 0.667 58.895 58.100 0.214 0.000 1.417 92 Y CB 1.540 40.130 38.460 0.217 0.000 1.229 92 Y HN 0.019 nan 8.280 nan 0.000 0.532 93 V N 5.271 125.406 119.914 0.368 0.000 3.354 93 V HA -0.170 3.946 4.120 -0.006 0.000 0.258 93 V C 1.651 177.995 176.094 0.417 0.000 1.159 93 V CA 0.739 63.247 62.300 0.347 0.000 1.125 93 V CB -0.781 31.148 31.823 0.177 0.000 0.774 93 V HN 0.921 nan 8.190 nan 0.000 0.464 94 Y N 2.627 123.073 120.300 0.244 0.000 2.030 94 Y HA -0.208 4.338 4.550 -0.006 0.000 0.272 94 Y C -0.120 175.864 175.900 0.140 0.000 1.185 94 Y CA 2.940 61.136 58.100 0.161 0.000 1.120 94 Y CB -1.880 36.641 38.460 0.101 0.000 0.955 94 Y HN 0.331 nan 8.280 nan 0.000 0.495 95 P HA -0.234 nan 4.420 nan 0.000 0.217 95 P C 1.112 178.291 177.300 -0.202 0.000 1.151 95 P CA 2.658 65.687 63.100 -0.118 0.000 0.849 95 P CB -0.422 31.235 31.700 -0.071 0.000 0.787 96 W N -0.966 120.314 121.300 -0.034 0.000 2.381 96 W HA -0.118 4.539 4.660 -0.006 0.000 0.301 96 W C 2.178 178.678 176.519 -0.032 0.000 1.205 96 W CA 0.406 57.738 57.345 -0.021 0.000 1.285 96 W CB -1.044 28.424 29.460 0.013 0.000 1.133 96 W HN -0.132 nan 8.180 nan 0.000 0.521 97 I N 0.406 121.067 120.570 0.152 0.000 2.113 97 I HA -0.254 3.912 4.170 -0.006 0.000 0.238 97 I C 2.191 178.278 176.117 -0.050 0.000 1.070 97 I CA 1.682 63.041 61.300 0.097 0.000 1.332 97 I CB -1.858 36.191 38.000 0.081 0.000 1.044 97 I HN 0.103 nan 8.210 nan 0.000 0.402 98 E N 0.958 120.957 120.200 -0.334 0.000 2.068 98 E HA -0.292 4.054 4.350 -0.006 0.000 0.207 98 E C 2.252 178.729 176.600 -0.206 0.000 1.032 98 E CA 2.389 58.575 56.400 -0.357 0.000 0.839 98 E CB -0.131 29.263 29.700 -0.510 0.000 0.758 98 E HN 0.458 nan 8.360 nan 0.000 0.457 99 A N 0.293 122.995 122.820 -0.197 0.000 1.851 99 A HA -0.227 4.089 4.320 -0.006 0.000 0.216 99 A C 2.279 179.781 177.584 -0.137 0.000 1.195 99 A CA 2.169 54.090 52.037 -0.193 0.000 0.622 99 A CB -0.646 18.197 19.000 -0.262 0.000 0.831 99 A HN 0.359 nan 8.150 nan 0.000 0.444 100 M N 0.525 120.119 119.600 -0.011 0.000 2.229 100 M HA -0.143 4.333 4.480 -0.006 0.000 0.264 100 M C 2.462 178.914 176.300 0.253 0.000 1.063 100 M CA 1.508 56.877 55.300 0.115 0.000 1.114 100 M CB -0.460 32.410 32.600 0.450 0.000 1.387 100 M HN 0.702 nan 8.290 nan 0.000 0.420 101 S N 0.749 116.538 115.700 0.148 0.000 2.368 101 S HA -0.215 4.252 4.470 -0.006 0.000 0.226 101 S C 1.907 176.410 174.600 -0.161 0.000 1.044 101 S CA 2.126 60.256 58.200 -0.116 0.000 1.062 101 S CB -0.868 62.218 63.200 -0.190 0.000 0.931 101 S HN 0.591 nan 8.310 nan 0.000 0.440 102 S N 0.410 116.039 115.700 -0.118 0.000 2.470 102 S HA 0.195 4.662 4.470 -0.006 0.000 0.225 102 S C 1.882 176.431 174.600 -0.084 0.000 1.006 102 S CA 0.622 58.755 58.200 -0.112 0.000 0.934 102 S CB -0.353 62.779 63.200 -0.114 0.000 0.778 102 S HN 0.516 nan 8.310 nan 0.000 0.517 103 S N -0.101 115.542 115.700 -0.095 0.000 2.456 103 S HA 0.267 4.733 4.470 -0.006 0.000 0.224 103 S C 0.077 174.686 174.600 0.015 0.000 1.035 103 S CA -0.082 58.037 58.200 -0.136 0.000 0.940 103 S CB -0.213 62.777 63.200 -0.351 0.000 0.799 103 S HN 0.642 nan 8.310 nan 0.000 0.508 104 Y N 2.284 122.682 120.300 0.163 0.000 2.850 104 Y HA 0.190 4.737 4.550 -0.006 0.000 0.360 104 Y C 1.498 177.611 175.900 0.355 0.000 1.174 104 Y CA -0.851 57.397 58.100 0.247 0.000 1.373 104 Y CB 0.075 38.698 38.460 0.272 0.000 1.487 104 Y HN 0.127 nan 8.280 nan 0.000 0.553 105 T N -0.085 114.656 114.554 0.311 0.000 2.622 105 T HA -0.224 4.122 4.350 -0.006 0.000 0.266 105 T C 1.111 176.055 174.700 0.406 0.000 1.047 105 T CA 1.278 63.498 62.100 0.200 0.000 1.159 105 T CB -0.091 68.713 68.868 -0.106 0.000 0.863 105 T HN 0.563 nan 8.240 nan 0.000 0.422 106 W N 2.064 123.504 121.300 0.232 0.000 3.315 106 W HA 0.315 4.972 4.660 -0.006 0.000 0.263 106 W C 0.215 176.818 176.519 0.140 0.000 1.336 106 W CA -1.343 56.106 57.345 0.172 0.000 1.544 106 W CB -1.888 27.642 29.460 0.118 0.000 1.068 106 W HN 0.160 nan 8.180 nan 0.000 0.741 107 L N 1.072 122.525 121.223 0.385 0.000 2.410 107 L HA 0.024 4.360 4.340 -0.006 0.000 0.273 107 L C 1.162 178.101 176.870 0.115 0.000 1.144 107 L CA 0.895 55.779 54.840 0.074 0.000 0.863 107 L CB 0.586 42.448 42.059 -0.328 0.000 1.140 107 L HN 0.032 nan 8.230 nan 0.000 0.463 108 E N 2.901 123.132 120.200 0.053 0.000 2.256 108 E HA 0.120 4.467 4.350 -0.006 0.000 0.198 108 E C -0.518 176.042 176.600 -0.067 0.000 0.908 108 E CA 0.278 56.706 56.400 0.047 0.000 0.915 108 E CB 0.417 30.098 29.700 -0.032 0.000 0.890 108 E HN 0.707 nan 8.360 nan 0.000 0.484 109 E N 1.117 121.290 120.200 -0.045 0.000 2.266 109 E HA 0.538 4.885 4.350 -0.006 0.000 0.268 109 E C -0.822 175.809 176.600 0.052 0.000 0.879 109 E CA -0.402 55.962 56.400 -0.059 0.000 0.762 109 E CB 2.591 32.227 29.700 -0.106 0.000 1.199 109 E HN -0.026 nan 8.360 nan 0.000 0.422 110 I N 2.570 123.225 120.570 0.141 0.000 2.448 110 I HA 0.311 4.478 4.170 -0.006 0.000 0.281 110 I C -0.849 175.290 176.117 0.035 0.000 1.027 110 I CA -0.804 60.540 61.300 0.073 0.000 1.111 110 I CB 1.265 39.321 38.000 0.095 0.000 1.236 110 I HN 0.282 nan 8.210 nan 0.000 0.452 111 R N 6.556 127.050 120.500 -0.009 0.000 2.265 111 R HA 0.664 5.000 4.340 -0.006 0.000 0.328 111 R C -1.084 175.197 176.300 -0.032 0.000 0.969 111 R CA -0.262 55.833 56.100 -0.009 0.000 0.832 111 R CB 1.169 31.469 30.300 -0.001 0.000 1.139 111 R HN 0.508 nan 8.270 nan 0.000 0.457 112 L N 2.214 123.419 121.223 -0.030 0.000 2.325 112 L HA 0.580 4.917 4.340 -0.006 0.000 0.278 112 L C -0.134 176.720 176.870 -0.026 0.000 1.023 112 L CA -0.873 53.934 54.840 -0.054 0.000 0.811 112 L CB 1.835 43.865 42.059 -0.047 0.000 1.249 112 L HN 0.429 nan 8.230 nan 0.000 0.431 113 K N 2.452 122.828 120.400 -0.040 0.000 2.426 113 K HA 0.450 4.766 4.320 -0.006 0.000 0.254 113 K C -0.454 176.131 176.600 -0.026 0.000 0.936 113 K CA -0.652 55.627 56.287 -0.014 0.000 0.801 113 K CB 1.151 33.653 32.500 0.003 0.000 1.139 113 K HN 0.481 nan 8.250 nan 0.000 0.424 114 R N 3.152 123.647 120.500 -0.009 0.000 3.336 114 R HA -0.149 4.187 4.340 -0.006 0.000 0.260 114 R C -0.585 175.706 176.300 -0.016 0.000 1.032 114 R CA 0.876 56.964 56.100 -0.021 0.000 0.693 114 R CB -1.158 29.110 30.300 -0.052 0.000 1.134 114 R HN 0.577 nan 8.270 nan 0.000 0.433 115 M N -0.447 119.156 119.600 0.006 0.000 2.777 115 M HA 0.413 4.890 4.480 -0.006 0.000 0.307 115 M C 0.383 176.715 176.300 0.052 0.000 1.228 115 M CA -1.099 54.208 55.300 0.012 0.000 0.871 115 M CB 1.683 34.282 32.600 -0.003 0.000 1.721 115 M HN -0.200 nan 8.290 nan 0.000 0.487 116 V N 2.217 122.157 119.914 0.044 0.000 2.432 116 V HA 0.448 4.564 4.120 -0.006 0.000 0.275 116 V C -0.254 175.962 176.094 0.204 0.000 1.043 116 V CA -0.473 61.892 62.300 0.108 0.000 0.925 116 V CB 1.334 33.169 31.823 0.020 0.000 0.985 116 V HN 0.623 nan 8.190 nan 0.000 0.466 117 V N 4.090 124.157 119.914 0.255 0.000 2.686 117 V HA 0.686 4.802 4.120 -0.006 0.000 0.306 117 V C 0.033 176.311 176.094 0.307 0.000 1.065 117 V CA -0.506 61.942 62.300 0.246 0.000 0.894 117 V CB 2.166 34.090 31.823 0.168 0.000 1.004 117 V HN 0.980 nan 8.190 nan 0.000 0.424 118 T N -1.287 113.386 114.554 0.200 0.000 2.926 118 T HA 0.420 4.767 4.350 -0.006 0.000 0.289 118 T C 0.438 175.202 174.700 0.107 0.000 1.054 118 T CA -0.635 61.563 62.100 0.164 0.000 1.015 118 T CB 1.933 70.839 68.868 0.064 0.000 1.167 118 T HN 0.416 nan 8.240 nan 0.000 0.526 119 D N 0.474 120.927 120.400 0.089 0.000 2.190 119 D HA -0.102 4.535 4.640 -0.006 0.000 0.200 119 D C 1.394 177.698 176.300 0.008 0.000 0.992 119 D CA 1.245 55.270 54.000 0.043 0.000 0.854 119 D CB -0.197 40.620 40.800 0.028 0.000 0.936 119 D HN 0.563 nan 8.370 nan 0.000 0.462 120 D N -0.533 119.858 120.400 -0.015 0.000 2.144 120 D HA -0.086 4.551 4.640 -0.006 0.000 0.200 120 D C 2.161 178.511 176.300 0.083 0.000 0.978 120 D CA 0.474 54.456 54.000 -0.029 0.000 0.833 120 D CB -0.345 40.343 40.800 -0.186 0.000 0.961 120 D HN 0.226 nan 8.370 nan 0.000 0.470 121 C N 0.192 119.569 119.300 0.128 0.000 2.432 121 C HA -0.041 4.415 4.460 -0.006 0.000 0.277 121 C C 2.860 177.900 174.990 0.085 0.000 1.249 121 C CA 0.157 59.308 59.018 0.222 0.000 1.725 121 C CB -1.049 26.811 27.740 0.199 0.000 2.028 121 C HN 0.349 nan 8.230 nan 0.000 0.477 122 L N 0.467 121.695 121.223 0.009 0.000 2.017 122 L HA -0.175 4.161 4.340 -0.006 0.000 0.208 122 L C 2.615 179.463 176.870 -0.037 0.000 1.073 122 L CA 1.640 56.444 54.840 -0.059 0.000 0.745 122 L CB -0.788 41.201 42.059 -0.117 0.000 0.894 122 L HN 0.347 nan 8.230 nan 0.000 0.432 123 E N 0.115 120.306 120.200 -0.014 0.000 2.114 123 E HA -0.280 4.067 4.350 -0.006 0.000 0.199 123 E C 2.251 178.845 176.600 -0.009 0.000 1.008 123 E CA 1.371 57.764 56.400 -0.012 0.000 0.810 123 E CB -0.115 29.584 29.700 -0.002 0.000 0.739 123 E HN 0.348 nan 8.360 nan 0.000 0.456 124 L N 0.237 121.476 121.223 0.027 0.000 2.156 124 L HA -0.105 4.232 4.340 -0.006 0.000 0.208 124 L C 2.069 178.913 176.870 -0.044 0.000 1.095 124 L CA 0.757 55.602 54.840 0.007 0.000 0.770 124 L CB -0.060 42.052 42.059 0.089 0.000 0.914 124 L HN 0.232 nan 8.230 nan 0.000 0.439 125 I N 0.045 120.618 120.570 0.005 0.000 2.142 125 I HA -0.287 3.879 4.170 -0.006 0.000 0.240 125 I C 2.771 178.863 176.117 -0.041 0.000 1.078 125 I CA 1.368 62.689 61.300 0.035 0.000 1.343 125 I CB -0.422 37.457 38.000 -0.202 0.000 1.046 125 I HN 0.235 nan 8.210 nan 0.000 0.405 126 A N 0.084 122.865 122.820 -0.065 0.000 1.940 126 A HA -0.249 4.068 4.320 -0.006 0.000 0.219 126 A C 2.388 179.957 177.584 -0.024 0.000 1.176 126 A CA 1.750 53.773 52.037 -0.023 0.000 0.631 126 A CB -0.428 18.559 19.000 -0.022 0.000 0.814 126 A HN 0.248 nan 8.150 nan 0.000 0.446 127 K N -0.212 120.146 120.400 -0.069 0.000 2.137 127 K HA 0.021 4.338 4.320 -0.006 0.000 0.202 127 K C 1.928 178.432 176.600 -0.159 0.000 1.052 127 K CA 1.448 57.685 56.287 -0.083 0.000 0.961 127 K CB -0.112 32.342 32.500 -0.077 0.000 0.741 127 K HN 0.484 nan 8.250 nan 0.000 0.452 128 S N -0.131 115.371 115.700 -0.330 0.000 2.478 128 S HA 0.123 4.589 4.470 -0.006 0.000 0.222 128 S C 0.376 174.579 174.600 -0.661 0.000 1.008 128 S CA 0.094 57.933 58.200 -0.601 0.000 0.928 128 S CB 0.044 62.621 63.200 -1.038 0.000 0.781 128 S HN 0.115 nan 8.310 nan 0.000 0.518 129 F N 1.949 121.897 119.950 -0.003 0.000 2.308 129 F HA 0.442 4.966 4.527 -0.006 0.000 0.370 129 F C 1.057 176.950 175.800 0.155 0.000 1.100 129 F CA -0.874 57.168 58.000 0.069 0.000 1.108 129 F CB 1.129 40.119 39.000 -0.017 0.000 1.293 129 F HN -0.173 nan 8.300 nan 0.000 0.478 130 K N 1.038 121.624 120.400 0.310 0.000 2.044 130 K HA -0.006 4.311 4.320 -0.006 0.000 0.204 130 K C 1.183 177.949 176.600 0.277 0.000 1.045 130 K CA 0.723 57.160 56.287 0.250 0.000 0.951 130 K CB 0.065 32.683 32.500 0.196 0.000 0.738 130 K HN 0.370 nan 8.250 nan 0.000 0.443 131 N N 0.967 119.851 118.700 0.306 0.000 2.535 131 N HA -0.075 4.662 4.740 -0.006 0.000 0.203 131 N C -0.557 175.108 175.510 0.258 0.000 1.301 131 N CA 0.221 53.411 53.050 0.234 0.000 0.859 131 N CB -0.247 38.351 38.487 0.185 0.000 1.055 131 N HN 0.037 nan 8.380 nan 0.000 0.457 132 F N 1.954 122.004 119.950 0.166 0.000 2.533 132 F HA 0.037 4.561 4.527 -0.006 0.000 0.378 132 F C 1.267 177.118 175.800 0.085 0.000 1.070 132 F CA 0.047 58.119 58.000 0.120 0.000 1.172 132 F CB 0.577 39.676 39.000 0.164 0.000 1.085 132 F HN -0.104 nan 8.300 nan 0.000 0.552 133 K N 3.487 123.547 120.400 -0.566 0.000 2.387 133 K HA 0.268 4.584 4.320 -0.006 0.000 0.197 133 K C -0.634 175.622 176.600 -0.573 0.000 1.127 133 K CA 0.258 56.286 56.287 -0.432 0.000 0.950 133 K CB 0.848 33.225 32.500 -0.205 0.000 1.017 133 K HN 0.292 nan 8.250 nan 0.000 0.519 134 V N 2.880 122.311 119.914 -0.806 0.000 2.447 134 V HA 0.266 4.383 4.120 -0.006 0.000 0.292 134 V C -1.453 174.400 176.094 -0.401 0.000 1.021 134 V CA -0.830 61.208 62.300 -0.438 0.000 0.850 134 V CB 1.653 33.332 31.823 -0.240 0.000 1.005 134 V HN 0.083 nan 8.190 nan 0.000 0.426 135 L N 7.207 128.325 121.223 -0.174 0.000 2.295 135 L HA 0.689 5.026 4.340 -0.006 0.000 0.281 135 L C -0.555 176.326 176.870 0.019 0.000 1.018 135 L CA 0.006 54.891 54.840 0.075 0.000 0.841 135 L CB 1.575 43.763 42.059 0.215 0.000 1.218 135 L HN 0.430 nan 8.230 nan 0.000 0.424 136 V N 6.609 126.530 119.914 0.012 0.000 2.398 136 V HA 0.420 4.537 4.120 -0.006 0.000 0.286 136 V C 0.015 176.113 176.094 0.006 0.000 1.026 136 V CA -0.460 61.845 62.300 0.008 0.000 0.868 136 V CB 1.538 33.364 31.823 0.005 0.000 0.982 136 V HN 0.559 nan 8.190 nan 0.000 0.443 137 L N 4.166 125.395 121.223 0.010 0.000 2.408 137 L HA 0.394 4.730 4.340 -0.006 0.000 0.257 137 L C 0.363 177.273 176.870 0.068 0.000 1.053 137 L CA 0.018 54.872 54.840 0.024 0.000 0.922 137 L CB 1.442 43.495 42.059 -0.011 0.000 1.261 137 L HN 0.646 nan 8.230 nan 0.000 0.458 138 S N 0.857 116.588 115.700 0.051 0.000 2.422 138 S HA 0.196 4.663 4.470 -0.006 0.000 0.283 138 S C 0.965 175.598 174.600 0.055 0.000 1.163 138 S CA -0.001 58.232 58.200 0.056 0.000 1.054 138 S CB 0.419 63.646 63.200 0.046 0.000 0.967 138 S HN 0.649 nan 8.310 nan 0.000 0.499 139 S N 2.540 118.278 115.700 0.064 0.000 3.635 139 S HA -0.163 4.304 4.470 -0.006 0.000 0.328 139 S C 0.546 175.176 174.600 0.050 0.000 1.135 139 S CA 0.636 58.862 58.200 0.044 0.000 0.942 139 S CB -2.227 60.984 63.200 0.018 0.000 0.930 139 S HN 0.859 nan 8.310 nan 0.000 0.512 140 C N 1.159 120.523 119.300 0.107 0.000 2.470 140 C HA 0.717 5.174 4.460 -0.006 0.000 0.350 140 C C 0.832 175.891 174.990 0.116 0.000 1.341 140 C CA -0.486 58.623 59.018 0.151 0.000 2.440 140 C CB 0.854 28.745 27.740 0.253 0.000 2.295 140 C HN 0.797 nan 8.230 nan 0.000 0.645 141 E N -1.298 118.965 120.200 0.105 0.000 2.460 141 E HA 0.587 4.934 4.350 -0.006 0.000 0.277 141 E C 0.109 176.711 176.600 0.003 0.000 1.010 141 E CA -0.216 56.144 56.400 -0.066 0.000 0.838 141 E CB 0.572 30.231 29.700 -0.069 0.000 1.448 141 E HN 1.078 nan 8.360 nan 0.000 0.462 142 G N -0.468 108.256 108.800 -0.127 0.000 2.175 142 G HA2 -0.225 3.732 3.960 -0.006 0.000 0.244 142 G HA3 -0.225 3.732 3.960 -0.006 0.000 0.244 142 G C -0.226 174.718 174.900 0.075 0.000 0.982 142 G CA 0.377 45.482 45.100 0.008 0.000 0.641 142 G HN 0.553 nan 8.290 nan 0.000 0.527 143 F N 0.647 120.590 119.950 -0.012 0.000 2.594 143 F HA 0.918 5.441 4.527 -0.006 0.000 0.335 143 F C 0.356 176.123 175.800 -0.055 0.000 1.058 143 F CA -0.816 57.163 58.000 -0.035 0.000 0.981 143 F CB 1.299 40.270 39.000 -0.048 0.000 1.289 143 F HN 0.449 nan 8.300 nan 0.000 0.490 144 S N -1.583 114.175 115.700 0.096 0.000 2.745 144 S HA 0.371 4.837 4.470 -0.006 0.000 0.306 144 S C 0.646 175.272 174.600 0.043 0.000 1.137 144 S CA -0.023 58.171 58.200 -0.010 0.000 0.900 144 S CB 0.897 64.087 63.200 -0.017 0.000 1.176 144 S HN 0.970 nan 8.310 nan 0.000 0.520 145 T N -1.616 112.926 114.554 -0.020 0.000 2.897 145 T HA -0.101 4.245 4.350 -0.006 0.000 0.271 145 T C 0.756 175.457 174.700 0.001 0.000 1.084 145 T CA 1.709 63.769 62.100 -0.066 0.000 1.123 145 T CB -0.931 67.994 68.868 0.094 0.000 0.865 145 T HN 0.570 nan 8.240 nan 0.000 0.496 146 D N 1.846 122.252 120.400 0.010 0.000 2.144 146 D HA 0.029 4.666 4.640 -0.006 0.000 0.199 146 D C 2.386 178.659 176.300 -0.045 0.000 0.984 146 D CA 1.339 55.328 54.000 -0.019 0.000 0.834 146 D CB -0.956 39.838 40.800 -0.010 0.000 0.955 146 D HN 0.566 nan 8.370 nan 0.000 0.465 147 G N 0.630 109.420 108.800 -0.018 0.000 2.421 147 G HA2 -0.208 3.748 3.960 -0.006 0.000 0.216 147 G HA3 -0.208 3.748 3.960 -0.006 0.000 0.216 147 G C 1.648 176.483 174.900 -0.109 0.000 1.171 147 G CA 0.509 45.587 45.100 -0.036 0.000 0.775 147 G HN 0.268 nan 8.290 nan 0.000 0.543 148 L N 0.801 121.926 121.223 -0.163 0.000 2.093 148 L HA 0.004 4.340 4.340 -0.006 0.000 0.208 148 L C 3.403 180.217 176.870 -0.094 0.000 1.085 148 L CA 0.844 55.526 54.840 -0.264 0.000 0.755 148 L CB -0.585 41.038 42.059 -0.728 0.000 0.904 148 L HN 0.283 nan 8.230 nan 0.000 0.435 149 A N 0.753 123.549 122.820 -0.039 0.000 1.869 149 A HA -0.311 4.006 4.320 -0.006 0.000 0.218 149 A C 2.616 180.083 177.584 -0.196 0.000 1.203 149 A CA 2.398 54.331 52.037 -0.174 0.000 0.638 149 A CB -1.104 17.636 19.000 -0.433 0.000 0.831 149 A HN 0.401 nan 8.150 nan 0.000 0.450 150 A N -0.265 122.464 122.820 -0.152 0.000 1.940 150 A HA -0.221 4.096 4.320 -0.006 0.000 0.221 150 A C 2.059 179.584 177.584 -0.098 0.000 1.190 150 A CA 2.085 54.059 52.037 -0.105 0.000 0.647 150 A CB -0.668 18.286 19.000 -0.077 0.000 0.821 150 A HN 0.504 nan 8.150 nan 0.000 0.457 151 I N -0.524 119.981 120.570 -0.108 0.000 2.202 151 I HA -0.212 3.954 4.170 -0.006 0.000 0.242 151 I C 3.020 179.019 176.117 -0.198 0.000 1.091 151 I CA 1.348 62.595 61.300 -0.089 0.000 1.368 151 I CB -1.796 36.170 38.000 -0.057 0.000 1.058 151 I HN 0.386 nan 8.210 nan 0.000 0.410 152 A N 1.432 124.032 122.820 -0.366 0.000 1.869 152 A HA -0.262 4.055 4.320 -0.006 0.000 0.218 152 A C 2.622 179.887 177.584 -0.531 0.000 1.203 152 A CA 2.869 54.364 52.037 -0.903 0.000 0.638 152 A CB -1.096 17.403 19.000 -0.834 0.000 0.831 152 A HN 0.439 nan 8.150 nan 0.000 0.450 153 A N -1.524 121.159 122.820 -0.229 0.000 1.865 153 A HA -0.126 4.190 4.320 -0.006 0.000 0.217 153 A C 2.304 179.857 177.584 -0.053 0.000 1.191 153 A CA 2.627 54.621 52.037 -0.072 0.000 0.623 153 A CB -1.219 17.781 19.000 0.000 0.000 0.826 153 A HN 0.504 nan 8.150 nan 0.000 0.444 154 T N -1.665 112.858 114.554 -0.052 0.000 3.044 154 T HA 0.025 4.371 4.350 -0.006 0.000 0.255 154 T C 0.740 175.463 174.700 0.038 0.000 1.073 154 T CA 0.738 62.839 62.100 0.002 0.000 1.125 154 T CB -0.330 68.541 68.868 0.005 0.000 0.908 154 T HN 0.402 nan 8.240 nan 0.000 0.480 155 C N 4.578 123.899 119.300 0.034 0.000 2.400 155 C HA 0.296 4.752 4.460 -0.006 0.000 0.457 155 C C 2.203 177.271 174.990 0.129 0.000 1.020 155 C CA -1.359 57.736 59.018 0.129 0.000 1.258 155 C CB -1.710 26.166 27.740 0.226 0.000 1.532 155 C HN 0.577 nan 8.230 nan 0.000 0.537 156 R N 2.066 122.657 120.500 0.152 0.000 2.133 156 R HA -0.171 4.165 4.340 -0.006 0.000 0.247 156 R C 1.175 177.654 176.300 0.298 0.000 1.151 156 R CA 1.897 58.118 56.100 0.203 0.000 0.971 156 R CB -0.226 30.172 30.300 0.163 0.000 0.866 156 R HN 0.606 nan 8.270 nan 0.000 0.447 157 N N 0.754 119.599 118.700 0.242 0.000 2.270 157 N HA 0.023 4.759 4.740 -0.006 0.000 0.198 157 N C -0.179 175.469 175.510 0.231 0.000 1.117 157 N CA -0.238 52.941 53.050 0.216 0.000 0.845 157 N CB 0.206 38.774 38.487 0.134 0.000 0.980 157 N HN 0.118 nan 8.380 nan 0.000 0.486 158 L N 1.574 122.979 121.223 0.304 0.000 2.543 158 L HA -0.094 4.242 4.340 -0.006 0.000 0.285 158 L C 1.078 178.102 176.870 0.257 0.000 1.236 158 L CA 1.154 56.123 54.840 0.215 0.000 0.871 158 L CB 0.562 42.746 42.059 0.209 0.000 1.121 158 L HN -0.066 nan 8.230 nan 0.000 0.501 159 K N 1.788 122.233 120.400 0.075 0.000 2.504 159 K HA 0.272 4.589 4.320 -0.006 0.000 0.203 159 K C -0.522 176.094 176.600 0.026 0.000 1.350 159 K CA 0.070 56.382 56.287 0.042 0.000 0.953 159 K CB 0.597 33.080 32.500 -0.029 0.000 1.243 159 K HN 0.633 nan 8.250 nan 0.000 0.534 160 E N 1.283 121.478 120.200 -0.008 0.000 2.224 160 E HA 0.273 4.619 4.350 -0.006 0.000 0.265 160 E C -1.643 174.977 176.600 0.033 0.000 0.878 160 E CA -0.747 55.655 56.400 0.003 0.000 0.759 160 E CB 2.428 32.105 29.700 -0.038 0.000 1.164 160 E HN -0.144 nan 8.360 nan 0.000 0.414 161 L N 3.327 124.603 121.223 0.089 0.000 2.417 161 L HA 0.366 4.702 4.340 -0.006 0.000 0.259 161 L C -1.410 175.514 176.870 0.090 0.000 1.023 161 L CA -0.368 54.538 54.840 0.111 0.000 0.901 161 L CB 0.965 43.154 42.059 0.217 0.000 1.227 161 L HN 0.365 nan 8.230 nan 0.000 0.454 162 D N 4.619 125.050 120.400 0.051 0.000 2.461 162 D HA 0.278 4.914 4.640 -0.006 0.000 0.240 162 D C 0.060 176.389 176.300 0.048 0.000 1.094 162 D CA -0.163 53.867 54.000 0.049 0.000 0.868 162 D CB 1.041 41.858 40.800 0.029 0.000 1.062 162 D HN 0.600 nan 8.370 nan 0.000 0.530 163 L N 4.315 125.578 121.223 0.067 0.000 2.848 163 L HA 0.192 4.529 4.340 -0.006 0.000 0.240 163 L C 1.142 178.068 176.870 0.094 0.000 1.232 163 L CA -0.538 54.350 54.840 0.080 0.000 1.031 163 L CB -0.281 41.830 42.059 0.086 0.000 1.338 163 L HN 0.231 nan 8.230 nan 0.000 0.509 164 R N 0.801 121.349 120.500 0.081 0.000 2.486 164 R HA -0.174 4.162 4.340 -0.006 0.000 0.304 164 R C 0.055 176.410 176.300 0.091 0.000 0.913 164 R CA 0.411 56.563 56.100 0.086 0.000 1.124 164 R CB -0.125 30.218 30.300 0.073 0.000 0.891 164 R HN 0.320 nan 8.270 nan 0.000 0.410 165 E N 0.689 120.948 120.200 0.099 0.000 3.426 165 E HA -0.209 4.138 4.350 -0.006 0.000 0.291 165 E C -0.716 175.922 176.600 0.063 0.000 0.898 165 E CA 1.721 58.172 56.400 0.085 0.000 0.970 165 E CB -0.770 28.976 29.700 0.077 0.000 1.489 165 E HN 0.801 nan 8.360 nan 0.000 0.461 166 S N 0.572 116.320 115.700 0.079 0.000 2.585 166 S HA 0.091 4.557 4.470 -0.006 0.000 0.273 166 S C 0.008 174.594 174.600 -0.024 0.000 1.339 166 S CA -0.418 57.823 58.200 0.068 0.000 1.028 166 S CB 0.879 64.204 63.200 0.208 0.000 0.906 166 S HN 0.204 nan 8.310 nan 0.000 0.528 167 D N 2.552 122.891 120.400 -0.101 0.000 2.441 167 D HA 0.265 4.901 4.640 -0.006 0.000 0.221 167 D C -0.643 175.440 176.300 -0.361 0.000 1.156 167 D CA -0.267 53.634 54.000 -0.166 0.000 0.896 167 D CB 0.130 40.855 40.800 -0.125 0.000 1.028 167 D HN 0.094 nan 8.370 nan 0.000 0.509 168 V N 3.161 122.882 119.914 -0.321 0.000 2.567 168 V HA 0.141 4.257 4.120 -0.006 0.000 0.289 168 V C 0.530 176.465 176.094 -0.264 0.000 1.049 168 V CA -0.915 61.125 62.300 -0.433 0.000 0.969 168 V CB 1.637 33.281 31.823 -0.299 0.000 0.995 168 V HN 0.434 nan 8.190 nan 0.000 0.471 169 D N 2.416 122.655 120.400 -0.267 0.000 2.358 169 D HA 0.062 4.699 4.640 -0.006 0.000 0.258 169 D C -0.318 175.934 176.300 -0.081 0.000 1.223 169 D CA -0.073 53.843 54.000 -0.140 0.000 0.886 169 D CB 0.487 41.220 40.800 -0.111 0.000 1.120 169 D HN 0.455 nan 8.370 nan 0.000 0.482 170 D N 4.089 124.460 120.400 -0.048 0.000 2.435 170 D HA 0.029 4.666 4.640 -0.006 0.000 0.230 170 D C 0.936 177.242 176.300 0.010 0.000 1.215 170 D CA -0.117 53.882 54.000 -0.003 0.000 0.947 170 D CB 1.462 42.266 40.800 0.006 0.000 1.048 170 D HN 0.185 nan 8.370 nan 0.000 0.512 171 V N 1.668 121.598 119.914 0.027 0.000 2.283 171 V HA -0.023 4.094 4.120 -0.006 0.000 0.239 171 V C 0.942 177.065 176.094 0.050 0.000 1.035 171 V CA 1.094 63.410 62.300 0.027 0.000 1.018 171 V CB 0.100 31.939 31.823 0.026 0.000 0.658 171 V HN 0.655 nan 8.190 nan 0.000 0.459 172 S N -1.529 114.242 115.700 0.120 0.000 2.570 172 S HA 0.434 4.901 4.470 -0.006 0.000 0.286 172 S C 0.413 175.215 174.600 0.336 0.000 1.143 172 S CA -0.002 58.297 58.200 0.166 0.000 0.921 172 S CB 1.050 64.263 63.200 0.020 0.000 1.108 172 S HN 0.528 nan 8.310 nan 0.000 0.456 173 G N 0.776 109.760 108.800 0.307 0.000 2.615 173 G HA2 -0.098 3.859 3.960 -0.006 0.000 0.213 173 G HA3 -0.098 3.859 3.960 -0.006 0.000 0.213 173 G C 0.934 175.870 174.900 0.060 0.000 1.135 173 G CA 0.519 45.765 45.100 0.244 0.000 0.772 173 G HN 0.927 nan 8.290 nan 0.000 0.542 174 H N -0.489 118.612 119.070 0.052 0.000 2.521 174 H HA -0.087 4.466 4.556 -0.006 0.000 0.286 174 H C 2.252 177.663 175.328 0.137 0.000 1.034 174 H CA 0.934 57.013 56.048 0.052 0.000 1.278 174 H CB 0.060 29.901 29.762 0.131 0.000 1.386 174 H HN 0.824 nan 8.280 nan 0.000 0.567 175 W N 1.233 122.676 121.300 0.239 0.000 2.338 175 W HA -0.199 4.457 4.660 -0.006 0.000 0.304 175 W C 1.683 178.300 176.519 0.164 0.000 1.212 175 W CA 0.269 57.679 57.345 0.108 0.000 1.264 175 W CB -1.334 28.127 29.460 0.002 0.000 1.142 175 W HN 0.118 nan 8.180 nan 0.000 0.512 176 L N 2.848 123.393 121.223 -1.130 0.000 2.079 176 L HA -0.240 4.097 4.340 -0.006 0.000 0.210 176 L C 2.888 179.638 176.870 -0.200 0.000 1.081 176 L CA 2.664 56.875 54.840 -1.048 0.000 0.752 176 L CB -0.539 40.752 42.059 -1.281 0.000 0.896 176 L HN 0.093 nan 8.230 nan 0.000 0.433 177 S N -2.491 113.113 115.700 -0.159 0.000 2.555 177 S HA -0.128 4.339 4.470 -0.006 0.000 0.230 177 S C 1.557 176.134 174.600 -0.038 0.000 0.978 177 S CA 0.315 58.462 58.200 -0.088 0.000 0.934 177 S CB -0.824 62.268 63.200 -0.180 0.000 0.766 177 S HN 0.591 nan 8.310 nan 0.000 0.533 178 H N -0.067 118.962 119.070 -0.068 0.000 2.563 178 H HA 0.154 4.706 4.556 -0.006 0.000 0.272 178 H C -0.470 174.798 175.328 -0.099 0.000 1.005 178 H CA 0.073 56.080 56.048 -0.068 0.000 1.171 178 H CB -0.223 29.502 29.762 -0.063 0.000 1.351 178 H HN 0.453 nan 8.280 nan 0.000 0.602 179 F N 3.012 122.996 119.950 0.056 0.000 2.519 179 F HA 0.099 4.622 4.527 -0.006 0.000 0.375 179 F C -1.661 174.168 175.800 0.049 0.000 1.084 179 F CA -2.021 55.986 58.000 0.012 0.000 1.147 179 F CB 0.317 39.337 39.000 0.033 0.000 1.088 179 F HN -0.038 nan 8.300 nan 0.000 0.555 180 P HA -0.014 nan 4.420 nan 0.000 0.268 180 P C 0.375 177.790 177.300 0.192 0.000 1.205 180 P CA -0.068 63.135 63.100 0.171 0.000 0.771 180 P CB 0.644 32.427 31.700 0.139 0.000 0.858 181 D N 1.066 121.533 120.400 0.113 0.000 2.347 181 D HA -0.151 4.485 4.640 -0.006 0.000 0.208 181 D C 1.278 177.626 176.300 0.080 0.000 0.994 181 D CA 1.754 55.800 54.000 0.078 0.000 0.924 181 D CB -0.371 40.453 40.800 0.040 0.000 0.892 181 D HN 0.477 nan 8.370 nan 0.000 0.471 182 T N -2.633 111.987 114.554 0.112 0.000 3.065 182 T HA -0.067 4.280 4.350 -0.006 0.000 0.252 182 T C 0.801 175.579 174.700 0.129 0.000 1.099 182 T CA -0.433 61.724 62.100 0.095 0.000 1.063 182 T CB -0.235 68.689 68.868 0.093 0.000 0.948 182 T HN 0.039 nan 8.240 nan 0.000 0.506 183 Y N 3.622 123.959 120.300 0.062 0.000 2.465 183 Y HA 0.359 4.905 4.550 -0.006 0.000 0.331 183 Y C 1.361 177.259 175.900 -0.003 0.000 1.102 183 Y CA -0.078 58.062 58.100 0.068 0.000 1.358 183 Y CB 0.896 39.459 38.460 0.173 0.000 1.213 183 Y HN 0.200 nan 8.280 nan 0.000 0.525 184 T N -1.434 112.754 114.554 -0.610 0.000 3.028 184 T HA 0.017 4.363 4.350 -0.006 0.000 0.262 184 T C 1.238 175.544 174.700 -0.656 0.000 0.916 184 T CA 0.380 62.165 62.100 -0.525 0.000 0.873 184 T CB -0.713 68.010 68.868 -0.242 0.000 1.232 184 T HN 0.502 nan 8.240 nan 0.000 0.529 185 S N 1.384 116.582 115.700 -0.837 0.000 2.603 185 S HA 0.286 4.752 4.470 -0.006 0.000 0.220 185 S C 0.657 175.072 174.600 -0.309 0.000 0.967 185 S CA -0.515 57.438 58.200 -0.412 0.000 0.920 185 S CB -0.758 62.328 63.200 -0.191 0.000 0.773 185 S HN 0.397 nan 8.310 nan 0.000 0.529 186 L N 2.415 123.372 121.223 -0.445 0.000 2.615 186 L HA 0.057 4.393 4.340 -0.006 0.000 0.284 186 L C 0.930 177.735 176.870 -0.109 0.000 1.237 186 L CA 0.515 55.273 54.840 -0.136 0.000 0.905 186 L CB 0.501 42.478 42.059 -0.137 0.000 1.149 186 L HN 0.140 nan 8.230 nan 0.000 0.499 187 V N 2.246 122.132 119.914 -0.047 0.000 3.359 187 V HA 0.256 4.372 4.120 -0.006 0.000 0.245 187 V C 0.502 176.577 176.094 -0.032 0.000 1.247 187 V CA 0.783 63.053 62.300 -0.050 0.000 1.145 187 V CB 0.711 32.506 31.823 -0.046 0.000 0.906 187 V HN 0.809 nan 8.190 nan 0.000 0.464 188 S N 0.430 116.124 115.700 -0.010 0.000 2.614 188 S HA 0.697 5.163 4.470 -0.006 0.000 0.275 188 S C -1.845 172.775 174.600 0.034 0.000 1.161 188 S CA -0.371 57.830 58.200 0.002 0.000 0.969 188 S CB 1.564 64.761 63.200 -0.005 0.000 1.059 188 S HN 0.186 nan 8.310 nan 0.000 0.482 189 L N 4.800 126.049 121.223 0.043 0.000 2.410 189 L HA 0.795 5.132 4.340 -0.006 0.000 0.270 189 L C -1.311 175.615 176.870 0.093 0.000 0.983 189 L CA -0.188 54.706 54.840 0.090 0.000 0.822 189 L CB 2.001 44.114 42.059 0.091 0.000 1.285 189 L HN 0.710 nan 8.230 nan 0.000 0.409 190 N N 4.789 123.561 118.700 0.120 0.000 2.558 190 N HA 0.371 5.108 4.740 -0.006 0.000 0.285 190 N C -0.662 174.934 175.510 0.143 0.000 1.112 190 N CA -0.367 52.748 53.050 0.109 0.000 0.857 190 N CB 0.996 39.529 38.487 0.077 0.000 1.376 190 N HN 0.694 nan 8.380 nan 0.000 0.526 191 I N 0.578 121.250 120.570 0.170 0.000 3.833 191 I HA 0.288 4.454 4.170 -0.006 0.000 0.328 191 I C 1.120 177.335 176.117 0.164 0.000 1.554 191 I CA -0.419 60.998 61.300 0.194 0.000 1.116 191 I CB 0.331 38.516 38.000 0.308 0.000 1.182 191 I HN 0.232 nan 8.210 nan 0.000 0.459 192 S N 0.835 116.643 115.700 0.180 0.000 2.419 192 S HA -0.225 4.241 4.470 -0.006 0.000 0.235 192 S C 1.901 176.590 174.600 0.149 0.000 1.019 192 S CA 1.218 59.565 58.200 0.245 0.000 0.982 192 S CB -1.206 62.218 63.200 0.373 0.000 0.789 192 S HN 0.826 nan 8.310 nan 0.000 0.490 193 C N 0.890 120.257 119.300 0.112 0.000 2.495 193 C HA 0.421 4.877 4.460 -0.006 0.000 0.275 193 C C 1.200 176.196 174.990 0.011 0.000 1.392 193 C CA -1.210 57.843 59.018 0.060 0.000 1.766 193 C CB -1.691 26.084 27.740 0.058 0.000 1.933 193 C HN 0.474 nan 8.230 nan 0.000 0.519 194 L N 1.731 122.976 121.223 0.037 0.000 2.499 194 L HA 0.239 4.576 4.340 -0.006 0.000 0.273 194 L C 1.525 178.386 176.870 -0.015 0.000 1.195 194 L CA 0.342 55.205 54.840 0.040 0.000 0.882 194 L CB 0.393 42.539 42.059 0.145 0.000 1.133 194 L HN 0.388 nan 8.230 nan 0.000 0.483 195 A N 2.346 125.150 122.820 -0.027 0.000 1.956 195 A HA -0.005 4.311 4.320 -0.006 0.000 0.212 195 A C 1.233 178.810 177.584 -0.013 0.000 1.188 195 A CA 0.555 52.555 52.037 -0.061 0.000 0.675 195 A CB -0.160 18.800 19.000 -0.067 0.000 0.845 195 A HN 0.787 nan 8.150 nan 0.000 0.455 196 S N 1.225 116.952 115.700 0.045 0.000 2.784 196 S HA -0.076 4.391 4.470 -0.006 0.000 0.322 196 S C 0.022 174.684 174.600 0.103 0.000 1.234 196 S CA -0.004 58.256 58.200 0.100 0.000 1.064 196 S CB -0.093 63.224 63.200 0.195 0.000 0.787 196 S HN 0.490 nan 8.310 nan 0.000 0.506 197 E N 3.560 123.802 120.200 0.070 0.000 2.220 197 E HA 0.171 4.517 4.350 -0.006 0.000 0.272 197 E C -0.069 176.569 176.600 0.064 0.000 1.099 197 E CA -0.454 55.978 56.400 0.053 0.000 0.907 197 E CB 0.635 30.353 29.700 0.030 0.000 1.022 197 E HN 0.636 nan 8.360 nan 0.000 0.428 198 V N 3.761 123.703 119.914 0.047 0.000 3.139 198 V HA -0.079 4.037 4.120 -0.006 0.000 0.307 198 V C 0.549 176.608 176.094 -0.058 0.000 1.095 198 V CA 0.298 62.565 62.300 -0.055 0.000 1.160 198 V CB 1.607 33.377 31.823 -0.089 0.000 1.003 198 V HN 0.780 nan 8.190 nan 0.000 0.489 199 S N 3.617 119.230 115.700 -0.144 0.000 2.465 199 S HA 0.047 4.513 4.470 -0.006 0.000 0.280 199 S C 0.704 175.256 174.600 -0.081 0.000 1.232 199 S CA -0.212 57.915 58.200 -0.122 0.000 1.066 199 S CB -0.151 62.922 63.200 -0.213 0.000 0.929 199 S HN 0.614 nan 8.310 nan 0.000 0.494 200 F N 5.125 125.018 119.950 -0.095 0.000 2.134 200 F HA -0.095 4.428 4.527 -0.006 0.000 0.299 200 F C 2.520 178.274 175.800 -0.077 0.000 1.097 200 F CA 2.191 60.145 58.000 -0.078 0.000 1.264 200 F CB -0.683 38.279 39.000 -0.063 0.000 1.001 200 F HN 0.786 nan 8.300 nan 0.000 0.479 201 S N 0.593 116.220 115.700 -0.122 0.000 2.368 201 S HA -0.135 4.331 4.470 -0.006 0.000 0.224 201 S C 2.321 176.782 174.600 -0.232 0.000 1.029 201 S CA 0.773 58.870 58.200 -0.171 0.000 0.988 201 S CB -1.327 61.846 63.200 -0.045 0.000 0.838 201 S HN 0.443 nan 8.310 nan 0.000 0.462 202 A N 2.301 124.999 122.820 -0.203 0.000 1.892 202 A HA -0.033 4.283 4.320 -0.006 0.000 0.218 202 A C 2.266 179.710 177.584 -0.233 0.000 1.188 202 A CA 1.819 53.742 52.037 -0.190 0.000 0.631 202 A CB -1.047 17.843 19.000 -0.183 0.000 0.822 202 A HN 0.540 nan 8.150 nan 0.000 0.447 203 L N 0.043 121.075 121.223 -0.318 0.000 1.994 203 L HA -0.164 4.172 4.340 -0.006 0.000 0.208 203 L C 2.283 178.923 176.870 -0.383 0.000 1.071 203 L CA 2.774 57.411 54.840 -0.339 0.000 0.745 203 L CB -0.788 41.045 42.059 -0.376 0.000 0.892 203 L HN 0.595 nan 8.230 nan 0.000 0.431 204 E N -0.681 119.171 120.200 -0.581 0.000 2.110 204 E HA -0.274 4.072 4.350 -0.006 0.000 0.193 204 E C 2.392 178.841 176.600 -0.252 0.000 0.988 204 E CA 1.070 57.185 56.400 -0.474 0.000 0.804 204 E CB -0.038 29.325 29.700 -0.562 0.000 0.745 204 E HN 0.481 nan 8.360 nan 0.000 0.458 205 R N 0.338 120.707 120.500 -0.218 0.000 2.062 205 R HA -0.069 4.267 4.340 -0.006 0.000 0.231 205 R C 2.675 178.897 176.300 -0.129 0.000 1.136 205 R CA 0.839 56.855 56.100 -0.139 0.000 0.948 205 R CB -0.349 29.884 30.300 -0.112 0.000 0.845 205 R HN 0.255 nan 8.270 nan 0.000 0.430 206 L N 0.807 121.943 121.223 -0.146 0.000 1.991 206 L HA -0.284 4.053 4.340 -0.006 0.000 0.221 206 L C 2.252 179.022 176.870 -0.166 0.000 1.079 206 L CA 1.908 56.653 54.840 -0.158 0.000 0.778 206 L CB -0.478 41.465 42.059 -0.193 0.000 0.893 206 L HN 0.150 nan 8.230 nan 0.000 0.437 207 V N -0.522 119.292 119.914 -0.166 0.000 2.380 207 V HA -0.343 3.773 4.120 -0.006 0.000 0.251 207 V C 2.478 178.502 176.094 -0.117 0.000 1.063 207 V CA 2.421 64.639 62.300 -0.136 0.000 1.055 207 V CB -1.055 30.694 31.823 -0.122 0.000 0.657 207 V HN 0.552 nan 8.190 nan 0.000 0.455 208 T N 0.847 115.334 114.554 -0.112 0.000 2.770 208 T HA -0.159 4.188 4.350 -0.006 0.000 0.263 208 T C 1.800 176.446 174.700 -0.090 0.000 1.039 208 T CA 1.604 63.651 62.100 -0.089 0.000 1.142 208 T CB -0.288 68.532 68.868 -0.079 0.000 0.868 208 T HN 0.696 nan 8.240 nan 0.000 0.435 209 R N 0.500 120.939 120.500 -0.101 0.000 2.323 209 R HA 0.154 4.490 4.340 -0.006 0.000 0.198 209 R C -0.009 176.204 176.300 -0.145 0.000 0.988 209 R CA 0.242 56.279 56.100 -0.105 0.000 1.041 209 R CB -0.739 29.506 30.300 -0.091 0.000 0.926 209 R HN 0.233 nan 8.270 nan 0.000 0.476 210 C N 3.393 122.598 119.300 -0.158 0.000 2.184 210 C HA 0.340 4.796 4.460 -0.006 0.000 0.328 210 C C -1.258 173.650 174.990 -0.137 0.000 1.081 210 C CA -1.494 57.411 59.018 -0.189 0.000 1.533 210 C CB 1.321 28.925 27.740 -0.228 0.000 1.905 210 C HN 0.365 nan 8.230 nan 0.000 0.439 211 P HA -0.042 nan 4.420 nan 0.000 0.233 211 P C 0.558 177.809 177.300 -0.083 0.000 1.167 211 P CA 1.263 64.309 63.100 -0.089 0.000 0.770 211 P CB 0.271 31.924 31.700 -0.079 0.000 0.837 212 N N -0.164 118.477 118.700 -0.098 0.000 2.204 212 N HA 0.097 4.833 4.740 -0.006 0.000 0.219 212 N C 0.299 175.762 175.510 -0.078 0.000 1.151 212 N CA -0.277 52.724 53.050 -0.082 0.000 0.867 212 N CB 0.475 38.910 38.487 -0.087 0.000 1.043 212 N HN 0.191 nan 8.380 nan 0.000 0.516 213 L N 1.542 122.715 121.223 -0.084 0.000 2.385 213 L HA 0.179 4.515 4.340 -0.006 0.000 0.281 213 L C 0.937 177.775 176.870 -0.054 0.000 1.106 213 L CA 0.294 55.090 54.840 -0.073 0.000 0.856 213 L CB 0.546 42.554 42.059 -0.085 0.000 1.186 213 L HN -0.207 nan 8.230 nan 0.000 0.453 214 K N 2.489 122.862 120.400 -0.044 0.000 2.354 214 K HA 0.210 4.526 4.320 -0.006 0.000 0.194 214 K C 0.152 176.734 176.600 -0.030 0.000 1.045 214 K CA 0.141 56.407 56.287 -0.036 0.000 1.026 214 K CB 0.619 33.098 32.500 -0.035 0.000 0.866 214 K HN 0.571 nan 8.250 nan 0.000 0.530 215 S N 1.138 116.822 115.700 -0.027 0.000 2.707 215 S HA 0.508 4.974 4.470 -0.006 0.000 0.303 215 S C -1.730 172.864 174.600 -0.011 0.000 1.132 215 S CA -0.745 57.442 58.200 -0.021 0.000 1.046 215 S CB 0.534 63.722 63.200 -0.020 0.000 1.004 215 S HN 0.150 nan 8.310 nan 0.000 0.483 216 L N 5.310 126.527 121.223 -0.009 0.000 2.409 216 L HA 0.671 5.007 4.340 -0.006 0.000 0.272 216 L C -1.396 175.484 176.870 0.016 0.000 0.980 216 L CA -0.125 54.719 54.840 0.007 0.000 0.826 216 L CB 1.509 43.568 42.059 -0.001 0.000 1.268 216 L HN 0.591 nan 8.230 nan 0.000 0.407 217 K N 6.418 126.846 120.400 0.046 0.000 2.535 217 K HA 0.562 4.878 4.320 -0.006 0.000 0.253 217 K C -1.210 175.463 176.600 0.122 0.000 0.953 217 K CA -0.549 55.777 56.287 0.066 0.000 0.863 217 K CB 1.817 34.352 32.500 0.058 0.000 1.111 217 K HN 0.534 nan 8.250 nan 0.000 0.431 218 L N 2.314 123.626 121.223 0.148 0.000 2.416 218 L HA 0.345 4.681 4.340 -0.006 0.000 0.262 218 L C 0.536 177.534 176.870 0.213 0.000 1.093 218 L CA -1.045 53.893 54.840 0.163 0.000 0.801 218 L CB 0.585 42.730 42.059 0.142 0.000 1.191 218 L HN 0.681 nan 8.230 nan 0.000 0.459 219 N N 0.297 119.045 118.700 0.080 0.000 2.476 219 N HA 0.166 4.902 4.740 -0.006 0.000 0.275 219 N C 0.478 175.781 175.510 -0.345 0.000 1.190 219 N CA -0.690 52.276 53.050 -0.141 0.000 0.977 219 N CB 0.856 39.282 38.487 -0.101 0.000 1.200 219 N HN 0.469 nan 8.380 nan 0.000 0.515 220 R N 0.175 120.150 120.500 -0.874 0.000 2.154 220 R HA -0.183 4.154 4.340 -0.006 0.000 0.248 220 R C 1.544 177.657 176.300 -0.311 0.000 1.155 220 R CA 1.817 57.450 56.100 -0.777 0.000 0.979 220 R CB -0.606 29.087 30.300 -1.012 0.000 0.869 220 R HN 0.773 nan 8.270 nan 0.000 0.452 221 A N 0.154 122.839 122.820 -0.225 0.000 2.125 221 A HA -0.008 4.308 4.320 -0.006 0.000 0.219 221 A C 0.827 178.376 177.584 -0.058 0.000 1.156 221 A CA 0.568 52.537 52.037 -0.113 0.000 0.671 221 A CB 0.143 19.102 19.000 -0.067 0.000 0.794 221 A HN 0.107 nan 8.150 nan 0.000 0.459 222 V N 2.454 122.350 119.914 -0.031 0.000 2.408 222 V HA 0.229 4.346 4.120 -0.006 0.000 0.267 222 V C -2.280 173.792 176.094 -0.036 0.000 1.047 222 V CA -1.414 60.895 62.300 0.015 0.000 0.937 222 V CB 1.034 32.918 31.823 0.102 0.000 0.999 222 V HN 0.256 nan 8.190 nan 0.000 0.472 223 P HA 0.264 nan 4.420 nan 0.000 0.281 223 P C 0.631 177.840 177.300 -0.151 0.000 1.264 223 P CA -0.692 62.338 63.100 -0.116 0.000 0.824 223 P CB 0.991 32.607 31.700 -0.140 0.000 1.092 224 L N 1.646 122.758 121.223 -0.186 0.000 2.013 224 L HA -0.210 4.126 4.340 -0.006 0.000 0.212 224 L C 1.833 178.529 176.870 -0.290 0.000 1.073 224 L CA 2.032 56.696 54.840 -0.294 0.000 0.753 224 L CB -1.566 40.186 42.059 -0.511 0.000 0.890 224 L HN 0.413 nan 8.230 nan 0.000 0.432 225 E N -0.691 119.344 120.200 -0.275 0.000 2.284 225 E HA -0.237 4.109 4.350 -0.006 0.000 0.200 225 E C 1.425 177.887 176.600 -0.229 0.000 1.008 225 E CA 1.208 57.468 56.400 -0.233 0.000 0.829 225 E CB 0.009 29.592 29.700 -0.196 0.000 0.744 225 E HN 0.495 nan 8.360 nan 0.000 0.491 226 K N -0.091 120.146 120.400 -0.272 0.000 2.353 226 K HA 0.111 4.427 4.320 -0.006 0.000 0.195 226 K C 1.933 178.453 176.600 -0.134 0.000 1.031 226 K CA -0.098 55.976 56.287 -0.355 0.000 1.079 226 K CB 0.175 32.161 32.500 -0.857 0.000 0.857 226 K HN 0.169 nan 8.250 nan 0.000 0.535 227 L N 1.274 122.439 121.223 -0.097 0.000 2.013 227 L HA -0.256 4.081 4.340 -0.006 0.000 0.212 227 L C 2.274 179.146 176.870 0.004 0.000 1.073 227 L CA 1.737 56.566 54.840 -0.017 0.000 0.753 227 L CB -0.386 41.644 42.059 -0.047 0.000 0.890 227 L HN 0.170 nan 8.230 nan 0.000 0.432 228 A N -1.054 121.745 122.820 -0.035 0.000 1.933 228 A HA -0.222 4.094 4.320 -0.006 0.000 0.218 228 A C 2.200 179.791 177.584 0.012 0.000 1.175 228 A CA 2.289 54.313 52.037 -0.022 0.000 0.628 228 A CB -0.929 18.044 19.000 -0.045 0.000 0.814 228 A HN 0.494 nan 8.150 nan 0.000 0.444 229 T N 0.695 115.271 114.554 0.037 0.000 2.652 229 T HA -0.154 4.192 4.350 -0.006 0.000 0.267 229 T C 1.833 176.591 174.700 0.097 0.000 1.039 229 T CA 1.605 63.755 62.100 0.085 0.000 1.153 229 T CB -0.482 68.494 68.868 0.181 0.000 0.863 229 T HN 0.381 nan 8.240 nan 0.000 0.428 230 L N 0.403 121.714 121.223 0.146 0.000 2.012 230 L HA -0.086 4.250 4.340 -0.006 0.000 0.210 230 L C 2.567 179.453 176.870 0.028 0.000 1.073 230 L CA 1.281 56.167 54.840 0.077 0.000 0.748 230 L CB -0.663 41.453 42.059 0.095 0.000 0.891 230 L HN 0.253 nan 8.230 nan 0.000 0.431 231 L N -0.821 120.419 121.223 0.028 0.000 2.191 231 L HA -0.201 4.136 4.340 -0.006 0.000 0.212 231 L C 2.800 179.671 176.870 0.001 0.000 1.103 231 L CA 0.778 55.623 54.840 0.008 0.000 0.769 231 L CB -0.516 41.547 42.059 0.007 0.000 0.908 231 L HN 0.388 nan 8.230 nan 0.000 0.438 232 Q N 0.042 119.846 119.800 0.005 0.000 2.167 232 Q HA -0.130 4.206 4.340 -0.006 0.000 0.202 232 Q C 2.250 178.244 176.000 -0.009 0.000 0.970 232 Q CA 1.060 56.862 55.803 -0.001 0.000 0.855 232 Q CB -0.176 28.564 28.738 0.003 0.000 0.911 232 Q HN 0.473 nan 8.270 nan 0.000 0.438 233 R N 0.115 120.607 120.500 -0.013 0.000 2.193 233 R HA 0.088 4.424 4.340 -0.006 0.000 0.213 233 R C 0.819 177.098 176.300 -0.036 0.000 1.055 233 R CA 0.764 56.846 56.100 -0.030 0.000 0.995 233 R CB -0.178 30.095 30.300 -0.045 0.000 0.893 233 R HN 0.061 nan 8.270 nan 0.000 0.459 234 A N 2.494 125.297 122.820 -0.028 0.000 3.219 234 A HA 0.329 4.645 4.320 -0.006 0.000 0.314 234 A C -1.779 175.790 177.584 -0.024 0.000 1.081 234 A CA -1.066 50.952 52.037 -0.033 0.000 0.995 234 A CB 0.543 19.523 19.000 -0.033 0.000 1.067 234 A HN -0.051 nan 8.150 nan 0.000 0.533 235 P HA -0.140 nan 4.420 nan 0.000 0.233 235 P C 0.878 178.168 177.300 -0.017 0.000 1.167 235 P CA 0.856 63.947 63.100 -0.016 0.000 0.770 235 P CB 0.302 31.992 31.700 -0.015 0.000 0.837 236 Q N -0.651 119.136 119.800 -0.023 0.000 2.280 236 Q HA 0.080 4.416 4.340 -0.006 0.000 0.201 236 Q C 0.489 176.475 176.000 -0.023 0.000 0.890 236 Q CA -0.457 55.333 55.803 -0.023 0.000 0.947 236 Q CB -0.932 27.788 28.738 -0.028 0.000 1.081 236 Q HN 0.107 nan 8.270 nan 0.000 0.502 237 L N 2.462 123.671 121.223 -0.023 0.000 2.653 237 L HA -0.123 4.213 4.340 -0.006 0.000 0.288 237 L C 1.205 178.064 176.870 -0.019 0.000 1.243 237 L CA 1.119 55.946 54.840 -0.022 0.000 0.906 237 L CB 0.319 42.367 42.059 -0.019 0.000 1.154 237 L HN 0.254 nan 8.230 nan 0.000 0.498 238 E N 1.388 121.575 120.200 -0.022 0.000 2.340 238 E HA 0.126 4.472 4.350 -0.006 0.000 0.198 238 E C -0.253 176.333 176.600 -0.023 0.000 0.961 238 E CA 0.310 56.697 56.400 -0.020 0.000 0.905 238 E CB 0.456 30.142 29.700 -0.023 0.000 0.884 238 E HN 0.630 nan 8.360 nan 0.000 0.491 239 E N 0.538 120.721 120.200 -0.028 0.000 2.272 239 E HA 0.431 4.778 4.350 -0.006 0.000 0.269 239 E C -1.693 174.885 176.600 -0.037 0.000 0.877 239 E CA -0.721 55.658 56.400 -0.036 0.000 0.755 239 E CB 2.464 32.138 29.700 -0.043 0.000 1.192 239 E HN -0.123 nan 8.360 nan 0.000 0.422 240 L N 1.243 122.437 121.223 -0.049 0.000 2.408 240 L HA 0.726 5.062 4.340 -0.006 0.000 0.268 240 L C -0.922 175.886 176.870 -0.104 0.000 0.986 240 L CA -0.208 54.598 54.840 -0.057 0.000 0.820 240 L CB 2.031 44.062 42.059 -0.046 0.000 1.303 240 L HN 0.545 nan 8.230 nan 0.000 0.411 241 G N 2.217 110.963 108.800 -0.088 0.000 2.533 241 G HA2 0.494 4.450 3.960 -0.006 0.000 0.310 241 G HA3 0.494 4.450 3.960 -0.006 0.000 0.310 241 G C -0.105 174.736 174.900 -0.097 0.000 1.266 241 G CA 0.081 45.095 45.100 -0.142 0.000 0.967 241 G HN 0.851 nan 8.290 nan 0.000 0.493 242 T N 0.710 115.120 114.554 -0.240 0.000 2.734 242 T HA 0.495 4.841 4.350 -0.006 0.000 0.314 242 T C 1.295 176.099 174.700 0.174 0.000 1.057 242 T CA 0.341 62.397 62.100 -0.072 0.000 1.047 242 T CB 1.234 70.012 68.868 -0.150 0.000 0.991 242 T HN 0.608 nan 8.240 nan 0.000 0.540 243 G N -0.385 108.553 108.800 0.229 0.000 2.714 243 G HA2 0.551 4.508 3.960 -0.006 0.000 0.197 243 G HA3 0.551 4.508 3.960 -0.006 0.000 0.197 243 G C 0.622 175.757 174.900 0.391 0.000 1.449 243 G CA -0.650 44.619 45.100 0.281 0.000 1.065 243 G HN 1.096 nan 8.290 nan 0.000 0.575 244 G N -1.769 107.140 108.800 0.181 0.000 2.368 244 G HA2 0.202 4.158 3.960 -0.006 0.000 0.233 244 G HA3 0.202 4.158 3.960 -0.006 0.000 0.233 244 G C -0.740 174.313 174.900 0.255 0.000 1.267 244 G CA 0.133 45.353 45.100 0.200 0.000 0.873 244 G HN 0.468 nan 8.290 nan 0.000 0.539 245 Y N 1.205 121.594 120.300 0.149 0.000 2.577 245 Y HA 0.456 5.002 4.550 -0.006 0.000 0.307 245 Y C 0.626 176.575 175.900 0.081 0.000 0.940 245 Y CA -0.377 57.791 58.100 0.113 0.000 1.132 245 Y CB 0.906 39.509 38.460 0.239 0.000 1.184 245 Y HN 0.668 nan 8.280 nan 0.000 0.611 246 T N 0.932 115.487 114.554 0.001 0.000 2.906 246 T HA 0.919 5.265 4.350 -0.006 0.000 0.295 246 T C -1.545 173.078 174.700 -0.129 0.000 1.075 246 T CA -0.035 62.064 62.100 -0.001 0.000 1.005 246 T CB 1.377 70.291 68.868 0.077 0.000 1.136 246 T HN 0.479 nan 8.240 nan 0.000 0.498 247 A N 2.265 125.049 122.820 -0.059 0.000 2.571 247 A HA 0.500 4.816 4.320 -0.006 0.000 0.296 247 A C -0.974 176.676 177.584 0.110 0.000 1.005 247 A CA -0.781 51.216 52.037 -0.066 0.000 0.682 247 A CB 0.560 19.389 19.000 -0.285 0.000 1.292 247 A HN 0.737 nan 8.150 nan 0.000 0.420 248 E N 0.887 121.135 120.200 0.081 0.000 2.900 248 E HA 0.082 4.428 4.350 -0.006 0.000 0.259 248 E C 0.134 176.873 176.600 0.232 0.000 0.918 248 E CA 0.575 57.042 56.400 0.113 0.000 0.960 248 E CB 0.284 30.021 29.700 0.062 0.000 0.908 248 E HN 0.505 nan 8.360 nan 0.000 0.511 249 V N 5.971 125.991 119.914 0.177 0.000 2.450 249 V HA 0.040 4.157 4.120 -0.006 0.000 0.281 249 V C 0.603 176.734 176.094 0.063 0.000 1.019 249 V CA 0.583 62.931 62.300 0.079 0.000 1.062 249 V CB -0.366 31.417 31.823 -0.067 0.000 0.979 249 V HN 0.532 nan 8.190 nan 0.000 0.477 250 R N 4.698 125.263 120.500 0.109 0.000 2.515 250 R HA 0.334 4.670 4.340 -0.006 0.000 0.278 250 R C -2.526 173.835 176.300 0.102 0.000 1.107 250 R CA -1.563 54.591 56.100 0.090 0.000 0.945 250 R CB 2.144 32.509 30.300 0.108 0.000 1.219 250 R HN 0.320 nan 8.270 nan 0.000 0.434 251 P HA -0.136 nan 4.420 nan 0.000 0.229 251 P C 0.402 177.775 177.300 0.122 0.000 1.160 251 P CA 0.908 64.052 63.100 0.074 0.000 0.777 251 P CB 0.256 31.961 31.700 0.008 0.000 0.814 252 D N 0.075 120.528 120.400 0.089 0.000 2.078 252 D HA -0.139 4.497 4.640 -0.006 0.000 0.193 252 D C 1.889 178.246 176.300 0.094 0.000 0.990 252 D CA 1.139 55.184 54.000 0.074 0.000 0.827 252 D CB -1.366 39.460 40.800 0.043 0.000 0.975 252 D HN 0.001 nan 8.370 nan 0.000 0.451 253 V N 0.580 120.564 119.914 0.116 0.000 2.231 253 V HA -0.337 3.780 4.120 -0.006 0.000 0.250 253 V C 2.533 178.747 176.094 0.200 0.000 1.058 253 V CA 2.184 64.558 62.300 0.124 0.000 1.022 253 V CB -1.075 30.843 31.823 0.158 0.000 0.640 253 V HN 0.192 nan 8.190 nan 0.000 0.445 254 Y N 0.658 121.114 120.300 0.260 0.000 2.114 254 Y HA -0.307 4.239 4.550 -0.007 0.000 0.282 254 Y C 2.916 178.870 175.900 0.090 0.000 1.165 254 Y CA 2.228 60.453 58.100 0.209 0.000 1.148 254 Y CB -0.351 38.105 38.460 -0.006 0.000 0.972 254 Y HN 0.234 nan 8.280 nan 0.000 0.504 255 S N -0.430 115.377 115.700 0.178 0.000 2.357 255 S HA -0.086 4.381 4.470 -0.006 0.000 0.221 255 S C 2.283 176.879 174.600 -0.006 0.000 1.031 255 S CA 1.210 59.480 58.200 0.117 0.000 0.982 255 S CB -1.161 62.124 63.200 0.142 0.000 0.853 255 S HN 0.705 nan 8.310 nan 0.000 0.458 256 G N 2.103 110.901 108.800 -0.003 0.000 2.476 256 G HA2 -0.169 3.788 3.960 -0.006 0.000 0.218 256 G HA3 -0.169 3.788 3.960 -0.006 0.000 0.218 256 G C 1.452 176.312 174.900 -0.066 0.000 1.164 256 G CA 0.951 46.035 45.100 -0.027 0.000 0.768 256 G HN 0.479 nan 8.290 nan 0.000 0.560 257 L N 0.327 121.482 121.223 -0.113 0.000 1.956 257 L HA -0.193 4.144 4.340 -0.006 0.000 0.216 257 L C 3.115 179.886 176.870 -0.166 0.000 1.073 257 L CA 1.979 56.724 54.840 -0.157 0.000 0.762 257 L CB -0.626 41.293 42.059 -0.234 0.000 0.889 257 L HN 0.399 nan 8.230 nan 0.000 0.433 258 S N -0.824 114.711 115.700 -0.275 0.000 2.368 258 S HA -0.207 4.259 4.470 -0.006 0.000 0.226 258 S C 1.888 176.444 174.600 -0.073 0.000 1.044 258 S CA 1.845 59.914 58.200 -0.219 0.000 1.062 258 S CB -0.329 62.737 63.200 -0.224 0.000 0.931 258 S HN 0.272 nan 8.310 nan 0.000 0.440 259 V N 2.402 122.291 119.914 -0.043 0.000 2.231 259 V HA -0.235 3.881 4.120 -0.006 0.000 0.248 259 V C 2.858 178.945 176.094 -0.012 0.000 1.054 259 V CA 2.101 64.394 62.300 -0.012 0.000 1.015 259 V CB -1.649 30.171 31.823 -0.005 0.000 0.638 259 V HN 0.647 nan 8.190 nan 0.000 0.444 260 A N -0.248 122.559 122.820 -0.021 0.000 1.865 260 A HA -0.193 4.123 4.320 -0.006 0.000 0.217 260 A C 2.276 179.855 177.584 -0.007 0.000 1.191 260 A CA 2.137 54.166 52.037 -0.013 0.000 0.623 260 A CB -0.733 18.258 19.000 -0.016 0.000 0.826 260 A HN 0.484 nan 8.150 nan 0.000 0.444 261 L N 0.437 121.654 121.223 -0.011 0.000 2.051 261 L HA -0.245 4.091 4.340 -0.006 0.000 0.214 261 L C 2.756 179.635 176.870 0.015 0.000 1.076 261 L CA 1.888 56.732 54.840 0.007 0.000 0.758 261 L CB -0.381 41.685 42.059 0.012 0.000 0.890 261 L HN 0.607 nan 8.230 nan 0.000 0.433 262 S N -1.372 114.335 115.700 0.011 0.000 2.562 262 S HA 0.025 4.491 4.470 -0.006 0.000 0.221 262 S C 1.717 176.326 174.600 0.015 0.000 0.975 262 S CA 0.404 58.616 58.200 0.021 0.000 0.918 262 S CB -0.018 63.197 63.200 0.025 0.000 0.772 262 S HN 0.433 nan 8.310 nan 0.000 0.531 263 G N 0.221 109.026 108.800 0.008 0.000 2.920 263 G HA2 0.064 4.021 3.960 -0.006 0.000 0.208 263 G HA3 0.064 4.021 3.960 -0.006 0.000 0.208 263 G C 0.246 175.148 174.900 0.003 0.000 1.159 263 G CA -0.076 45.027 45.100 0.005 0.000 0.784 263 G HN 0.559 nan 8.290 nan 0.000 0.535 264 C N 2.452 121.756 119.300 0.006 0.000 2.138 264 C HA 0.357 4.814 4.460 -0.006 0.000 0.398 264 C C 1.411 176.405 174.990 0.007 0.000 1.029 264 C CA -1.143 57.877 59.018 0.004 0.000 1.426 264 C CB 0.044 27.787 27.740 0.004 0.000 1.652 264 C HN 0.268 nan 8.230 nan 0.000 0.486 265 K N 1.143 121.545 120.400 0.004 0.000 2.365 265 K HA -0.050 4.267 4.320 -0.006 0.000 0.199 265 K C 1.414 178.016 176.600 0.004 0.000 1.045 265 K CA 1.012 57.302 56.287 0.006 0.000 0.962 265 K CB 0.242 32.745 32.500 0.004 0.000 0.759 265 K HN 0.653 nan 8.250 nan 0.000 0.469 266 E N 0.525 120.725 120.200 -0.000 0.000 2.340 266 E HA 0.066 4.412 4.350 -0.006 0.000 0.194 266 E C 0.811 177.409 176.600 -0.004 0.000 0.996 266 E CA -0.203 56.194 56.400 -0.004 0.000 0.869 266 E CB 0.052 29.746 29.700 -0.010 0.000 0.835 266 E HN 0.192 nan 8.360 nan 0.000 0.493 267 L N 2.492 123.714 121.223 -0.001 0.000 2.776 267 L HA -0.162 4.175 4.340 -0.006 0.000 0.283 267 L C 1.265 178.137 176.870 0.004 0.000 1.194 267 L CA 0.538 55.379 54.840 0.001 0.000 0.947 267 L CB 0.331 42.397 42.059 0.012 0.000 1.255 267 L HN -0.036 nan 8.230 nan 0.000 0.481 268 R N 1.997 122.494 120.500 -0.004 0.000 2.435 268 R HA 0.220 4.556 4.340 -0.006 0.000 0.221 268 R C -0.323 175.970 176.300 -0.011 0.000 0.885 268 R CA 0.199 56.296 56.100 -0.005 0.000 1.018 268 R CB 0.425 30.718 30.300 -0.011 0.000 1.259 268 R HN 0.539 nan 8.270 nan 0.000 0.597 269 C N 1.543 120.831 119.300 -0.021 0.000 2.482 269 C HA 0.678 5.134 4.460 -0.006 0.000 0.317 269 C C -0.229 174.741 174.990 -0.035 0.000 1.197 269 C CA -0.992 58.004 59.018 -0.037 0.000 1.432 269 C CB 1.664 29.363 27.740 -0.068 0.000 2.062 269 C HN 0.165 nan 8.230 nan 0.000 0.471 270 L N 2.903 124.115 121.223 -0.018 0.000 2.386 270 L HA 0.798 5.134 4.340 -0.006 0.000 0.271 270 L C 0.010 176.873 176.870 -0.012 0.000 0.993 270 L CA 0.292 55.131 54.840 -0.002 0.000 0.819 270 L CB 2.220 44.368 42.059 0.150 0.000 1.294 270 L HN 1.003 nan 8.230 nan 0.000 0.414 271 S N 0.402 116.002 115.700 -0.167 0.000 2.752 271 S HA 0.963 5.430 4.470 -0.006 0.000 0.284 271 S C -0.129 174.149 174.600 -0.536 0.000 1.189 271 S CA -0.167 57.907 58.200 -0.211 0.000 0.835 271 S CB 1.901 64.978 63.200 -0.205 0.000 1.192 271 S HN 1.133 nan 8.310 nan 0.000 0.506 272 G N 0.493 109.011 108.800 -0.470 0.000 2.964 272 G HA2 0.054 4.010 3.960 -0.006 0.000 0.229 272 G HA3 0.054 4.010 3.960 -0.006 0.000 0.229 272 G C 0.092 174.670 174.900 -0.538 0.000 1.395 272 G CA 0.057 44.704 45.100 -0.755 0.000 1.060 272 G HN 1.641 nan 8.290 nan 0.000 0.568 273 F N -0.304 119.509 119.950 -0.229 0.000 3.034 273 F HA -0.139 4.385 4.527 -0.005 0.000 0.286 273 F C 0.979 176.806 175.800 0.045 0.000 0.804 273 F CA 0.635 58.518 58.000 -0.196 0.000 1.161 273 F CB -1.480 37.327 39.000 -0.323 0.000 1.317 273 F HN 0.518 nan 8.300 nan 0.000 0.453 274 W N 2.761 124.188 121.300 0.211 0.000 2.314 274 W HA 0.039 4.696 4.660 -0.005 0.000 0.339 274 W C 1.229 177.855 176.519 0.178 0.000 1.293 274 W CA 0.967 58.405 57.345 0.155 0.000 1.288 274 W CB 0.139 29.608 29.460 0.016 0.000 1.186 274 W HN 0.253 nan 8.180 nan 0.000 0.566 275 D N -0.577 120.048 120.400 0.375 0.000 3.077 275 D HA -0.182 4.454 4.640 -0.006 0.000 0.217 275 D C 0.474 176.938 176.300 0.274 0.000 1.162 275 D CA 1.319 55.478 54.000 0.265 0.000 0.943 275 D CB -1.511 39.419 40.800 0.216 0.000 1.122 275 D HN 0.408 nan 8.370 nan 0.000 0.413 276 A N 0.408 123.425 122.820 0.327 0.000 2.565 276 A HA 0.270 4.586 4.320 -0.006 0.000 0.237 276 A C 0.725 178.496 177.584 0.312 0.000 1.053 276 A CA 0.179 52.465 52.037 0.415 0.000 0.755 276 A CB 0.607 19.791 19.000 0.307 0.000 0.980 276 A HN 0.120 nan 8.150 nan 0.000 0.506 277 V N 5.938 126.083 119.914 0.385 0.000 2.432 277 V HA 0.184 4.300 4.120 -0.006 0.000 0.275 277 V C -1.351 174.903 176.094 0.266 0.000 1.043 277 V CA -0.839 61.633 62.300 0.287 0.000 0.925 277 V CB 1.277 33.297 31.823 0.329 0.000 0.985 277 V HN 0.849 nan 8.190 nan 0.000 0.466 278 P HA -0.192 nan 4.420 nan 0.000 0.216 278 P C 1.574 178.938 177.300 0.107 0.000 1.150 278 P CA 1.692 64.862 63.100 0.117 0.000 0.843 278 P CB 0.191 31.933 31.700 0.070 0.000 0.787 279 A N -1.778 121.075 122.820 0.055 0.000 2.042 279 A HA -0.226 4.090 4.320 -0.006 0.000 0.222 279 A C 1.728 179.254 177.584 -0.095 0.000 1.167 279 A CA 1.653 53.642 52.037 -0.080 0.000 0.649 279 A CB -1.736 17.145 19.000 -0.199 0.000 0.809 279 A HN 0.268 nan 8.150 nan 0.000 0.457 280 Y N -1.293 119.117 120.300 0.183 0.000 2.449 280 Y HA 0.273 4.819 4.550 -0.006 0.000 0.254 280 Y C 1.799 177.891 175.900 0.320 0.000 1.140 280 Y CA -0.105 58.132 58.100 0.228 0.000 1.272 280 Y CB 0.096 38.563 38.460 0.011 0.000 1.114 280 Y HN 0.152 nan 8.280 nan 0.000 0.525 281 L N 0.424 121.896 121.223 0.415 0.000 2.083 281 L HA -0.144 4.192 4.340 -0.006 0.000 0.209 281 L C -0.629 176.195 176.870 -0.076 0.000 1.083 281 L CA 1.082 56.050 54.840 0.214 0.000 0.752 281 L CB -1.685 40.403 42.059 0.048 0.000 0.899 281 L HN 0.107 nan 8.230 nan 0.000 0.433 282 P HA -0.255 nan 4.420 nan 0.000 0.217 282 P C 1.519 178.321 177.300 -0.829 0.000 1.148 282 P CA 1.842 64.247 63.100 -1.158 0.000 0.834 282 P CB -0.086 31.400 31.700 -0.356 0.000 0.783 283 A N -0.383 122.326 122.820 -0.185 0.000 2.054 283 A HA -0.224 4.092 4.320 -0.006 0.000 0.223 283 A C 1.941 179.443 177.584 -0.137 0.000 1.169 283 A CA 2.360 54.218 52.037 -0.298 0.000 0.655 283 A CB -1.717 17.055 19.000 -0.380 0.000 0.812 283 A HN 0.295 nan 8.150 nan 0.000 0.462 284 V N -5.290 114.569 119.914 -0.091 0.000 3.542 284 V HA 0.198 4.314 4.120 -0.006 0.000 0.296 284 V C 1.449 177.686 176.094 0.239 0.000 1.364 284 V CA 0.061 62.422 62.300 0.101 0.000 1.118 284 V CB -1.178 30.764 31.823 0.198 0.000 0.972 284 V HN 0.426 nan 8.190 nan 0.000 0.430 285 Y N 1.922 122.267 120.300 0.075 0.000 2.519 285 Y HA 0.102 4.650 4.550 -0.003 0.000 0.287 285 Y C 2.756 178.681 175.900 0.042 0.000 1.128 285 Y CA 0.273 58.404 58.100 0.053 0.000 1.282 285 Y CB -0.881 37.615 38.460 0.060 0.000 1.027 285 Y HN 0.504 nan 8.280 nan 0.000 0.551 286 S N -0.625 115.191 115.700 0.193 0.000 2.368 286 S HA -0.127 4.339 4.470 -0.006 0.000 0.224 286 S C 2.104 176.757 174.600 0.089 0.000 1.029 286 S CA 1.343 59.612 58.200 0.114 0.000 0.988 286 S CB -1.048 62.200 63.200 0.079 0.000 0.838 286 S HN 0.222 nan 8.310 nan 0.000 0.462 287 V N 1.718 121.690 119.914 0.096 0.000 2.427 287 V HA -0.177 3.940 4.120 -0.006 0.000 0.248 287 V C 2.634 178.771 176.094 0.071 0.000 1.051 287 V CA 1.229 63.575 62.300 0.077 0.000 1.048 287 V CB -1.561 30.314 31.823 0.087 0.000 0.666 287 V HN 0.595 nan 8.190 nan 0.000 0.456 288 C N 1.319 120.677 119.300 0.096 0.000 2.398 288 C HA -0.156 4.301 4.460 -0.006 0.000 0.282 288 C C 3.050 178.051 174.990 0.018 0.000 1.275 288 C CA 1.593 60.644 59.018 0.055 0.000 1.797 288 C CB -1.453 26.305 27.740 0.030 0.000 1.991 288 C HN 0.768 nan 8.230 nan 0.000 0.505 289 S N 0.885 116.598 115.700 0.021 0.000 2.575 289 S HA -0.008 4.458 4.470 -0.006 0.000 0.215 289 S C 1.503 176.107 174.600 0.007 0.000 0.966 289 S CA 0.220 58.422 58.200 0.004 0.000 0.911 289 S CB -0.361 62.841 63.200 0.003 0.000 0.780 289 S HN 0.872 nan 8.310 nan 0.000 0.514 290 R N -0.314 120.195 120.500 0.014 0.000 2.509 290 R HA 0.438 4.774 4.340 -0.006 0.000 0.297 290 R C -0.364 175.941 176.300 0.009 0.000 0.951 290 R CA -0.599 55.507 56.100 0.010 0.000 1.103 290 R CB -0.306 30.001 30.300 0.011 0.000 1.283 290 R HN 0.273 nan 8.270 nan 0.000 0.534 291 L N 2.662 123.892 121.223 0.012 0.000 2.416 291 L HA 0.153 4.490 4.340 -0.006 0.000 0.272 291 L C 0.966 177.839 176.870 0.004 0.000 1.161 291 L CA 0.882 55.729 54.840 0.011 0.000 0.845 291 L CB 1.763 43.835 42.059 0.021 0.000 1.119 291 L HN 0.364 nan 8.230 nan 0.000 0.464 292 T N -2.064 112.489 114.554 -0.001 0.000 2.999 292 T HA 0.178 4.524 4.350 -0.006 0.000 0.247 292 T C 0.622 175.318 174.700 -0.007 0.000 1.012 292 T CA 0.092 62.191 62.100 -0.002 0.000 1.048 292 T CB 0.147 69.012 68.868 -0.004 0.000 1.020 292 T HN 0.494 nan 8.240 nan 0.000 0.478 293 T N 2.749 117.290 114.554 -0.023 0.000 2.809 293 T HA 0.710 5.057 4.350 -0.006 0.000 0.284 293 T C -1.584 173.085 174.700 -0.051 0.000 0.992 293 T CA -0.556 61.513 62.100 -0.052 0.000 0.957 293 T CB 1.906 70.716 68.868 -0.097 0.000 0.942 293 T HN 0.194 nan 8.240 nan 0.000 0.439 294 L N 3.940 125.136 121.223 -0.046 0.000 2.385 294 L HA 0.728 5.064 4.340 -0.006 0.000 0.273 294 L C -0.966 175.869 176.870 -0.057 0.000 0.990 294 L CA -0.563 54.263 54.840 -0.024 0.000 0.821 294 L CB 1.808 43.868 42.059 0.002 0.000 1.279 294 L HN 0.531 nan 8.230 nan 0.000 0.412 295 N N 4.966 123.632 118.700 -0.058 0.000 2.573 295 N HA 0.323 5.060 4.740 -0.006 0.000 0.262 295 N C -0.680 174.821 175.510 -0.015 0.000 1.029 295 N CA -0.287 52.703 53.050 -0.099 0.000 0.882 295 N CB 0.695 38.977 38.487 -0.341 0.000 1.204 295 N HN 0.757 nan 8.380 nan 0.000 0.519 296 L N 1.859 123.078 121.223 -0.008 0.000 2.700 296 L HA 0.210 4.547 4.340 -0.006 0.000 0.234 296 L C 1.558 178.375 176.870 -0.089 0.000 1.156 296 L CA -0.058 54.752 54.840 -0.050 0.000 0.946 296 L CB -0.000 42.003 42.059 -0.093 0.000 1.216 296 L HN 0.404 nan 8.230 nan 0.000 0.493 297 S N 0.081 115.659 115.700 -0.204 0.000 2.400 297 S HA -0.235 4.232 4.470 -0.006 0.000 0.234 297 S C 1.354 175.692 174.600 -0.437 0.000 1.049 297 S CA 1.887 59.844 58.200 -0.405 0.000 1.039 297 S CB -0.331 62.383 63.200 -0.809 0.000 0.856 297 S HN 0.550 nan 8.310 nan 0.000 0.465 298 Y N 0.611 120.841 120.300 -0.116 0.000 2.457 298 Y HA 0.578 5.125 4.550 -0.005 0.000 0.263 298 Y C 0.884 176.790 175.900 0.010 0.000 1.164 298 Y CA -0.412 57.632 58.100 -0.094 0.000 1.274 298 Y CB -0.229 38.070 38.460 -0.267 0.000 1.097 298 Y HN 0.140 nan 8.280 nan 0.000 0.523 299 A N 1.187 124.076 122.820 0.116 0.000 2.362 299 A HA 0.352 4.669 4.320 -0.006 0.000 0.276 299 A C 0.934 178.594 177.584 0.127 0.000 1.153 299 A CA 0.022 52.121 52.037 0.104 0.000 0.813 299 A CB -0.123 18.866 19.000 -0.018 0.000 1.081 299 A HN 0.363 nan 8.150 nan 0.000 0.507 300 T N 0.896 115.518 114.554 0.112 0.000 3.240 300 T HA 0.347 4.693 4.350 -0.006 0.000 0.248 300 T C -0.101 174.460 174.700 -0.232 0.000 0.929 300 T CA -0.331 61.799 62.100 0.050 0.000 0.939 300 T CB -0.727 68.235 68.868 0.157 0.000 1.114 300 T HN 0.258 nan 8.240 nan 0.000 0.558 301 V N 3.126 122.967 119.914 -0.121 0.000 2.530 301 V HA 0.269 4.385 4.120 -0.006 0.000 0.282 301 V C 0.460 176.452 176.094 -0.170 0.000 1.048 301 V CA -0.620 61.609 62.300 -0.118 0.000 0.997 301 V CB 1.169 32.965 31.823 -0.046 0.000 0.987 301 V HN 0.606 nan 8.190 nan 0.000 0.477 302 Q N 2.308 122.009 119.800 -0.165 0.000 2.584 302 Q HA 0.108 4.445 4.340 -0.006 0.000 0.218 302 Q C 1.606 177.612 176.000 0.010 0.000 1.079 302 Q CA 0.403 56.137 55.803 -0.115 0.000 1.008 302 Q CB 0.163 28.858 28.738 -0.072 0.000 1.267 302 Q HN 0.778 nan 8.270 nan 0.000 0.586 303 S N -0.372 115.365 115.700 0.062 0.000 2.356 303 S HA -0.209 4.257 4.470 -0.006 0.000 0.223 303 S C 1.746 176.397 174.600 0.086 0.000 1.032 303 S CA 1.387 59.638 58.200 0.085 0.000 1.005 303 S CB -0.347 62.913 63.200 0.100 0.000 0.867 303 S HN 0.568 nan 8.310 nan 0.000 0.449 304 Y N 2.798 123.098 120.300 -0.000 0.000 2.081 304 Y HA -0.199 4.346 4.550 -0.008 0.000 0.280 304 Y C 2.126 178.027 175.900 0.002 0.000 1.163 304 Y CA 2.319 60.419 58.100 -0.001 0.000 1.135 304 Y CB -0.821 37.638 38.460 -0.002 0.000 0.970 304 Y HN 0.352 nan 8.280 nan 0.000 0.498 305 D N 0.262 120.710 120.400 0.080 0.000 2.160 305 D HA -0.281 4.355 4.640 -0.006 0.000 0.189 305 D C 2.333 178.596 176.300 -0.062 0.000 1.003 305 D CA 2.256 56.262 54.000 0.009 0.000 0.846 305 D CB -0.794 40.030 40.800 0.040 0.000 0.949 305 D HN 0.407 nan 8.370 nan 0.000 0.446 306 L N 0.690 121.885 121.223 -0.048 0.000 2.012 306 L HA -0.181 4.155 4.340 -0.006 0.000 0.210 306 L C 2.803 179.609 176.870 -0.107 0.000 1.073 306 L CA 0.706 55.507 54.840 -0.064 0.000 0.748 306 L CB -0.629 41.414 42.059 -0.027 0.000 0.891 306 L HN -0.071 nan 8.230 nan 0.000 0.431 307 V N 0.068 119.898 119.914 -0.141 0.000 2.282 307 V HA -0.360 3.757 4.120 -0.006 0.000 0.249 307 V C 2.582 178.516 176.094 -0.267 0.000 1.057 307 V CA 2.024 64.206 62.300 -0.197 0.000 1.032 307 V CB -0.524 31.162 31.823 -0.229 0.000 0.645 307 V HN 0.442 nan 8.190 nan 0.000 0.447 308 K N -0.629 119.555 120.400 -0.360 0.000 2.063 308 K HA -0.176 4.141 4.320 -0.006 0.000 0.208 308 K C 2.164 178.570 176.600 -0.324 0.000 1.048 308 K CA 1.501 57.590 56.287 -0.330 0.000 0.928 308 K CB -0.338 32.006 32.500 -0.260 0.000 0.713 308 K HN 0.349 nan 8.250 nan 0.000 0.442 309 L N 0.958 122.062 121.223 -0.197 0.000 2.046 309 L HA -0.200 4.136 4.340 -0.006 0.000 0.208 309 L C 2.126 178.881 176.870 -0.191 0.000 1.077 309 L CA 1.195 55.925 54.840 -0.182 0.000 0.747 309 L CB -0.074 41.961 42.059 -0.039 0.000 0.896 309 L HN 0.189 nan 8.230 nan 0.000 0.432 310 L N -1.925 119.208 121.223 -0.150 0.000 2.179 310 L HA -0.208 4.129 4.340 -0.006 0.000 0.208 310 L C 2.647 179.443 176.870 -0.123 0.000 1.096 310 L CA 0.485 55.258 54.840 -0.111 0.000 0.779 310 L CB -0.585 41.429 42.059 -0.074 0.000 0.922 310 L HN 0.349 nan 8.230 nan 0.000 0.443 311 C N 0.455 119.661 119.300 -0.157 0.000 2.392 311 C HA -0.231 4.225 4.460 -0.006 0.000 0.276 311 C C 2.297 177.204 174.990 -0.139 0.000 1.212 311 C CA 1.331 60.262 59.018 -0.144 0.000 1.791 311 C CB -1.120 26.516 27.740 -0.172 0.000 2.063 311 C HN 0.608 nan 8.230 nan 0.000 0.481 312 Q N -1.459 118.228 119.800 -0.188 0.000 2.211 312 Q HA 0.227 4.564 4.340 -0.006 0.000 0.231 312 Q C 0.136 176.075 176.000 -0.102 0.000 0.865 312 Q CA 0.166 55.874 55.803 -0.158 0.000 0.997 312 Q CB -0.297 28.299 28.738 -0.237 0.000 1.101 312 Q HN 0.594 nan 8.270 nan 0.000 0.468 313 C N 2.838 122.090 119.300 -0.080 0.000 2.429 313 C HA 0.274 4.731 4.460 -0.006 0.000 0.310 313 C C -1.052 173.920 174.990 -0.030 0.000 1.446 313 C CA -1.112 57.879 59.018 -0.044 0.000 1.747 313 C CB -0.064 27.653 27.740 -0.039 0.000 2.865 313 C HN 0.448 nan 8.230 nan 0.000 0.554 314 P HA -0.135 nan 4.420 nan 0.000 0.223 314 P C 0.930 178.223 177.300 -0.011 0.000 1.144 314 P CA 1.388 64.475 63.100 -0.021 0.000 0.783 314 P CB 0.178 31.866 31.700 -0.020 0.000 0.771 315 K N -1.099 119.296 120.400 -0.008 0.000 2.374 315 K HA 0.108 4.424 4.320 -0.006 0.000 0.196 315 K C 0.560 177.160 176.600 0.001 0.000 1.023 315 K CA -0.669 55.617 56.287 -0.003 0.000 1.103 315 K CB -0.128 32.371 32.500 -0.001 0.000 0.848 315 K HN 0.017 nan 8.250 nan 0.000 0.528 316 L N 2.332 123.555 121.223 0.001 0.000 2.747 316 L HA -0.191 4.146 4.340 -0.006 0.000 0.286 316 L C 0.901 177.781 176.870 0.015 0.000 1.216 316 L CA 1.259 56.103 54.840 0.007 0.000 0.930 316 L CB 0.264 42.326 42.059 0.005 0.000 1.216 316 L HN 0.228 nan 8.230 nan 0.000 0.486 317 Q N 3.643 123.456 119.800 0.021 0.000 2.423 317 Q HA 0.178 4.514 4.340 -0.006 0.000 0.231 317 Q C 0.293 176.327 176.000 0.057 0.000 0.894 317 Q CA 0.112 55.934 55.803 0.032 0.000 0.938 317 Q CB 0.815 29.568 28.738 0.025 0.000 1.079 317 Q HN 0.605 nan 8.270 nan 0.000 0.552 318 R N 1.050 121.588 120.500 0.062 0.000 2.502 318 R HA 0.460 4.797 4.340 -0.006 0.000 0.300 318 R C -2.044 174.339 176.300 0.138 0.000 0.984 318 R CA -0.486 55.686 56.100 0.119 0.000 0.882 318 R CB 1.173 31.529 30.300 0.093 0.000 1.180 318 R HN -0.011 nan 8.270 nan 0.000 0.444 319 L N 5.035 126.393 121.223 0.225 0.000 2.381 319 L HA 0.650 4.986 4.340 -0.006 0.000 0.274 319 L C -1.948 175.187 176.870 0.441 0.000 0.988 319 L CA -0.345 54.631 54.840 0.228 0.000 0.824 319 L CB 1.268 43.402 42.059 0.125 0.000 1.263 319 L HN 0.572 nan 8.230 nan 0.000 0.410 320 W N 5.214 126.535 121.300 0.035 0.000 2.573 320 W HA 0.816 5.471 4.660 -0.008 0.000 0.326 320 W C -0.724 175.826 176.519 0.051 0.000 1.049 320 W CA -1.079 56.319 57.345 0.087 0.000 1.220 320 W CB 1.743 31.290 29.460 0.146 0.000 1.373 320 W HN 0.413 nan 8.180 nan 0.000 0.507 321 V N 4.512 124.589 119.914 0.271 0.000 3.023 321 V HA 0.421 4.538 4.120 -0.006 0.000 0.294 321 V C -0.349 175.801 176.094 0.094 0.000 1.324 321 V CA -1.096 61.283 62.300 0.131 0.000 0.979 321 V CB 1.603 33.469 31.823 0.072 0.000 1.093 321 V HN 0.464 nan 8.190 nan 0.000 0.434 322 L N 3.298 124.552 121.223 0.052 0.000 2.456 322 L HA 0.218 4.554 4.340 -0.006 0.000 0.266 322 L C 1.271 178.072 176.870 -0.115 0.000 1.258 322 L CA 0.485 55.291 54.840 -0.056 0.000 0.823 322 L CB 0.218 42.219 42.059 -0.096 0.000 1.100 322 L HN 0.944 nan 8.230 nan 0.000 0.531 323 D N -2.510 117.726 120.400 -0.274 0.000 2.340 323 D HA -0.120 4.516 4.640 -0.006 0.000 0.220 323 D C 1.621 177.847 176.300 -0.124 0.000 1.039 323 D CA 0.548 54.408 54.000 -0.234 0.000 0.866 323 D CB -0.294 40.324 40.800 -0.305 0.000 0.913 323 D HN 0.504 nan 8.370 nan 0.000 0.523 324 Y N 0.413 120.685 120.300 -0.047 0.000 2.228 324 Y HA -0.261 4.285 4.550 -0.007 0.000 0.285 324 Y C 2.246 178.137 175.900 -0.014 0.000 1.178 324 Y CA 0.481 58.567 58.100 -0.024 0.000 1.202 324 Y CB -0.363 38.088 38.460 -0.015 0.000 0.974 324 Y HN 0.071 nan 8.280 nan 0.000 0.527 325 I N 0.263 120.905 120.570 0.121 0.000 2.248 325 I HA -0.287 3.879 4.170 -0.006 0.000 0.248 325 I C 0.832 176.986 176.117 0.062 0.000 1.107 325 I CA 1.360 62.702 61.300 0.070 0.000 1.373 325 I CB -0.309 37.715 38.000 0.039 0.000 1.055 325 I HN 0.312 nan 8.210 nan 0.000 0.418 326 E N -0.418 119.811 120.200 0.047 0.000 9.238 326 E HA -0.252 4.094 4.350 -0.006 0.000 0.434 326 E C 0.351 176.982 176.600 0.052 0.000 1.429 326 E CA 0.622 57.049 56.400 0.045 0.000 2.485 326 E CB -0.859 28.877 29.700 0.061 0.000 1.045 326 E HN 0.355 nan 8.360 nan 0.000 0.377 327 D N 0.047 120.478 120.400 0.051 0.000 2.078 327 D HA -0.130 4.507 4.640 -0.006 0.000 0.193 327 D C 1.870 178.197 176.300 0.045 0.000 0.990 327 D CA 1.968 56.001 54.000 0.054 0.000 0.827 327 D CB -0.618 40.209 40.800 0.045 0.000 0.975 327 D HN 0.500 nan 8.370 nan 0.000 0.451 328 A N 1.252 124.097 122.820 0.043 0.000 1.881 328 A HA -0.224 4.093 4.320 -0.006 0.000 0.219 328 A C 2.387 179.993 177.584 0.036 0.000 1.215 328 A CA 3.083 55.145 52.037 0.041 0.000 0.648 328 A CB -1.497 17.535 19.000 0.052 0.000 0.832 328 A HN 0.324 nan 8.150 nan 0.000 0.455 329 G N -0.314 108.511 108.800 0.041 0.000 2.766 329 G HA2 -0.346 3.611 3.960 -0.006 0.000 0.222 329 G HA3 -0.346 3.611 3.960 -0.006 0.000 0.222 329 G C 1.519 176.433 174.900 0.022 0.000 1.225 329 G CA 1.465 46.582 45.100 0.028 0.000 0.784 329 G HN 0.510 nan 8.290 nan 0.000 0.631 330 L N 0.090 121.335 121.223 0.036 0.000 2.201 330 L HA -0.009 4.327 4.340 -0.006 0.000 0.212 330 L C 2.784 179.666 176.870 0.021 0.000 1.105 330 L CA 0.990 55.853 54.840 0.037 0.000 0.775 330 L CB -0.383 41.714 42.059 0.065 0.000 0.913 330 L HN 0.404 nan 8.230 nan 0.000 0.440 331 E N 0.197 120.409 120.200 0.020 0.000 2.038 331 E HA -0.212 4.134 4.350 -0.006 0.000 0.195 331 E C 2.236 178.837 176.600 0.002 0.000 1.000 331 E CA 1.668 58.074 56.400 0.010 0.000 0.803 331 E CB 0.085 29.793 29.700 0.013 0.000 0.750 331 E HN 0.231 nan 8.360 nan 0.000 0.448 332 V N 1.528 121.442 119.914 0.000 0.000 2.215 332 V HA -0.327 3.789 4.120 -0.006 0.000 0.249 332 V C 2.608 178.693 176.094 -0.016 0.000 1.054 332 V CA 2.059 64.351 62.300 -0.013 0.000 1.012 332 V CB -0.672 31.134 31.823 -0.027 0.000 0.639 332 V HN 0.359 nan 8.190 nan 0.000 0.448 333 L N 0.233 121.449 121.223 -0.012 0.000 2.082 333 L HA -0.332 4.005 4.340 -0.006 0.000 0.223 333 L C 2.406 179.273 176.870 -0.005 0.000 1.086 333 L CA 2.722 57.558 54.840 -0.007 0.000 0.793 333 L CB -0.740 41.324 42.059 0.007 0.000 0.896 333 L HN 0.338 nan 8.230 nan 0.000 0.441 334 A N -1.461 121.357 122.820 -0.003 0.000 1.902 334 A HA -0.230 4.086 4.320 -0.006 0.000 0.217 334 A C 2.424 180.002 177.584 -0.010 0.000 1.181 334 A CA 2.302 54.336 52.037 -0.006 0.000 0.623 334 A CB -0.988 18.008 19.000 -0.006 0.000 0.818 334 A HN 0.674 nan 8.150 nan 0.000 0.443 335 S N -1.095 114.598 115.700 -0.012 0.000 2.362 335 S HA -0.116 4.351 4.470 -0.006 0.000 0.221 335 S C 1.909 176.499 174.600 -0.017 0.000 1.032 335 S CA 1.604 59.796 58.200 -0.014 0.000 0.973 335 S CB -1.205 61.986 63.200 -0.014 0.000 0.849 335 S HN 0.476 nan 8.310 nan 0.000 0.465 336 T N 2.030 116.572 114.554 -0.021 0.000 2.580 336 T HA -0.113 4.233 4.350 -0.006 0.000 0.265 336 T C 1.113 175.801 174.700 -0.020 0.000 1.063 336 T CA 1.550 63.635 62.100 -0.026 0.000 1.170 336 T CB -0.853 67.993 68.868 -0.036 0.000 0.863 336 T HN 0.531 nan 8.240 nan 0.000 0.418 337 C N 2.918 122.210 119.300 -0.014 0.000 2.560 337 C HA 0.395 4.851 4.460 -0.006 0.000 0.506 337 C C 1.513 176.501 174.990 -0.003 0.000 1.116 337 C CA -1.212 57.801 59.018 -0.008 0.000 1.425 337 C CB -0.939 26.799 27.740 -0.003 0.000 1.543 337 C HN 0.287 nan 8.230 nan 0.000 0.586 338 K N 1.250 121.647 120.400 -0.006 0.000 2.442 338 K HA -0.134 4.182 4.320 -0.006 0.000 0.199 338 K C 1.306 177.905 176.600 -0.001 0.000 1.044 338 K CA 1.203 57.487 56.287 -0.005 0.000 0.941 338 K CB -0.132 32.364 32.500 -0.007 0.000 0.759 338 K HN 0.571 nan 8.250 nan 0.000 0.472 339 D N -0.638 119.763 120.400 0.002 0.000 2.369 339 D HA -0.003 4.634 4.640 -0.006 0.000 0.211 339 D C -0.459 175.849 176.300 0.013 0.000 1.077 339 D CA -0.218 53.786 54.000 0.006 0.000 0.842 339 D CB 0.139 40.942 40.800 0.005 0.000 0.947 339 D HN -0.068 nan 8.370 nan 0.000 0.509 340 L N 1.589 122.821 121.223 0.016 0.000 2.615 340 L HA 0.038 4.375 4.340 -0.006 0.000 0.271 340 L C 1.182 178.071 176.870 0.032 0.000 1.183 340 L CA 0.541 55.398 54.840 0.027 0.000 0.933 340 L CB 0.383 42.458 42.059 0.028 0.000 1.199 340 L HN -0.084 nan 8.230 nan 0.000 0.487 341 R N 3.155 123.681 120.500 0.043 0.000 2.175 341 R HA 0.193 4.530 4.340 -0.006 0.000 0.202 341 R C 0.010 176.347 176.300 0.062 0.000 1.018 341 R CA 0.367 56.495 56.100 0.047 0.000 1.029 341 R CB 0.022 30.351 30.300 0.049 0.000 0.959 341 R HN 0.754 nan 8.270 nan 0.000 0.480 342 E N 0.747 120.997 120.200 0.083 0.000 2.290 342 E HA 0.332 4.679 4.350 -0.006 0.000 0.274 342 E C -1.783 174.885 176.600 0.114 0.000 0.889 342 E CA -0.666 55.794 56.400 0.101 0.000 0.760 342 E CB 1.603 31.389 29.700 0.143 0.000 1.206 342 E HN -0.062 nan 8.360 nan 0.000 0.419 343 L N 3.958 125.218 121.223 0.062 0.000 2.410 343 L HA 0.603 4.940 4.340 -0.006 0.000 0.270 343 L C -1.583 175.246 176.870 -0.069 0.000 0.983 343 L CA -0.298 54.571 54.840 0.049 0.000 0.822 343 L CB 1.634 43.724 42.059 0.053 0.000 1.285 343 L HN 0.579 nan 8.230 nan 0.000 0.409 344 R N 4.480 124.885 120.500 -0.158 0.000 2.476 344 R HA 0.664 5.001 4.340 -0.006 0.000 0.305 344 R C -1.541 174.492 176.300 -0.445 0.000 0.965 344 R CA -0.870 54.942 56.100 -0.480 0.000 0.867 344 R CB 2.234 31.964 30.300 -0.949 0.000 1.176 344 R HN 0.456 nan 8.270 nan 0.000 0.447 345 V N 5.228 124.850 119.914 -0.487 0.000 2.313 345 V HA 0.351 4.468 4.120 -0.006 0.000 0.278 345 V C -0.296 175.424 176.094 -0.623 0.000 1.017 345 V CA -0.564 61.482 62.300 -0.423 0.000 0.823 345 V CB 0.341 31.917 31.823 -0.412 0.000 1.010 345 V HN 0.538 nan 8.190 nan 0.000 0.443 346 F N 6.582 126.325 119.950 -0.345 0.000 2.378 346 F HA 0.533 5.057 4.527 -0.006 0.000 0.319 346 F C -1.754 173.678 175.800 -0.613 0.000 1.155 346 F CA -2.159 55.471 58.000 -0.618 0.000 1.157 346 F CB 0.771 39.467 39.000 -0.507 0.000 1.252 346 F HN 0.286 nan 8.300 nan 0.000 0.550 347 P HA 0.177 nan 4.420 nan 0.000 0.284 347 P C -0.382 176.686 177.300 -0.386 0.000 1.258 347 P CA -0.496 62.337 63.100 -0.446 0.000 0.824 347 P CB 1.520 32.953 31.700 -0.446 0.000 1.038 348 S N -0.261 115.188 115.700 -0.417 0.000 2.502 348 S HA 0.151 4.618 4.470 -0.006 0.000 0.215 348 S C 0.590 175.031 174.600 -0.265 0.000 1.009 348 S CA 0.131 58.070 58.200 -0.434 0.000 0.908 348 S CB -0.192 62.449 63.200 -0.933 0.000 0.801 348 S HN 0.579 nan 8.310 nan 0.000 0.505 349 E N 1.055 121.100 120.200 -0.258 0.000 3.554 349 E HA 0.215 4.561 4.350 -0.006 0.000 0.286 349 E C -2.498 173.969 176.600 -0.221 0.000 1.173 349 E CA -1.026 55.262 56.400 -0.185 0.000 1.117 349 E CB 1.088 30.724 29.700 -0.106 0.000 1.323 349 E HN 0.214 nan 8.360 nan 0.000 0.394 350 P HA -0.090 nan 4.420 nan 0.000 0.217 350 P C 0.670 177.814 177.300 -0.259 0.000 1.150 350 P CA 0.936 63.777 63.100 -0.431 0.000 0.832 350 P CB 0.045 31.306 31.700 -0.731 0.000 0.787 351 F N -1.046 118.893 119.950 -0.018 0.000 2.769 351 F HA 0.070 4.594 4.527 -0.005 0.000 0.304 351 F C 0.695 176.486 175.800 -0.014 0.000 1.158 351 F CA -0.502 57.489 58.000 -0.015 0.000 1.398 351 F CB -0.053 38.941 39.000 -0.008 0.000 1.094 351 F HN -0.292 nan 8.300 nan 0.000 0.553 352 V N 1.291 121.265 119.914 0.100 0.000 2.547 352 V HA 0.138 4.254 4.120 -0.006 0.000 0.299 352 V C 0.780 176.891 176.094 0.027 0.000 1.040 352 V CA -0.667 61.666 62.300 0.055 0.000 0.913 352 V CB 1.935 33.777 31.823 0.030 0.000 0.992 352 V HN 0.143 nan 8.190 nan 0.000 0.449 353 M N 1.791 121.405 119.600 0.023 0.000 2.495 353 M HA 0.277 4.753 4.480 -0.006 0.000 0.237 353 M C 0.184 176.481 176.300 -0.006 0.000 1.131 353 M CA 0.240 55.543 55.300 0.005 0.000 1.032 353 M CB -0.348 32.255 32.600 0.006 0.000 1.513 353 M HN 0.509 nan 8.290 nan 0.000 0.488 354 E N 2.208 122.407 120.200 -0.002 0.000 2.070 354 E HA 0.308 4.655 4.350 -0.006 0.000 0.261 354 E C -2.151 174.444 176.600 -0.010 0.000 0.926 354 E CA -2.239 54.160 56.400 -0.003 0.000 0.760 354 E CB 0.421 30.125 29.700 0.007 0.000 1.133 354 E HN 0.098 nan 8.360 nan 0.000 0.420 355 P HA -0.109 nan 4.420 nan 0.000 0.235 355 P C 0.639 177.934 177.300 -0.009 0.000 1.080 355 P CA 0.272 63.357 63.100 -0.026 0.000 1.096 355 P CB 0.004 31.685 31.700 -0.031 0.000 1.085 356 N N 2.737 121.432 118.700 -0.007 0.000 2.494 356 N HA -0.055 4.682 4.740 -0.006 0.000 0.182 356 N C 0.373 175.909 175.510 0.043 0.000 1.076 356 N CA 0.444 53.508 53.050 0.023 0.000 0.908 356 N CB -0.181 38.328 38.487 0.037 0.000 0.967 356 N HN 0.279 nan 8.380 nan 0.000 0.449 357 V N -4.266 115.652 119.914 0.007 0.000 3.164 357 V HA 0.866 4.982 4.120 -0.006 0.000 0.313 357 V C -0.017 176.080 176.094 0.006 0.000 1.188 357 V CA -0.862 61.456 62.300 0.029 0.000 1.058 357 V CB 1.166 32.990 31.823 0.001 0.000 1.110 357 V HN 0.037 nan 8.190 nan 0.000 0.453 358 A N 1.528 124.359 122.820 0.018 0.000 3.264 358 A HA 0.693 5.010 4.320 -0.006 0.000 0.299 358 A C -0.351 177.236 177.584 0.005 0.000 1.272 358 A CA -0.106 51.937 52.037 0.010 0.000 1.030 358 A CB -0.787 18.227 19.000 0.023 0.000 1.102 358 A HN 1.076 nan 8.150 nan 0.000 0.615 359 L N 1.658 122.870 121.223 -0.019 0.000 2.265 359 L HA 0.655 4.992 4.340 -0.006 0.000 0.289 359 L C 0.496 177.364 176.870 -0.003 0.000 1.033 359 L CA 0.340 55.172 54.840 -0.014 0.000 0.814 359 L CB 1.403 43.417 42.059 -0.075 0.000 1.203 359 L HN 0.504 nan 8.230 nan 0.000 0.423 360 T N 0.252 114.833 114.554 0.046 0.000 2.598 360 T HA 0.394 4.740 4.350 -0.006 0.000 0.254 360 T C 0.672 175.449 174.700 0.129 0.000 0.889 360 T CA 0.096 62.216 62.100 0.034 0.000 1.091 360 T CB 0.659 69.515 68.868 -0.019 0.000 1.437 360 T HN 0.553 nan 8.240 nan 0.000 0.542 361 E N 0.101 120.338 120.200 0.062 0.000 2.318 361 E HA -0.051 4.295 4.350 -0.006 0.000 0.193 361 E C 1.883 178.476 176.600 -0.012 0.000 0.998 361 E CA 0.654 57.069 56.400 0.025 0.000 0.859 361 E CB -0.465 29.244 29.700 0.015 0.000 0.812 361 E HN 0.548 nan 8.360 nan 0.000 0.492 362 Q N 1.813 121.627 119.800 0.023 0.000 2.135 362 Q HA -0.070 4.266 4.340 -0.006 0.000 0.204 362 Q C 2.039 178.038 176.000 -0.000 0.000 0.981 362 Q CA 2.206 58.015 55.803 0.009 0.000 0.856 362 Q CB -1.097 27.655 28.738 0.025 0.000 0.902 362 Q HN 0.359 nan 8.270 nan 0.000 0.425 363 G N 1.169 109.995 108.800 0.043 0.000 2.719 363 G HA2 -0.339 3.618 3.960 -0.006 0.000 0.219 363 G HA3 -0.339 3.618 3.960 -0.006 0.000 0.219 363 G C 1.411 176.293 174.900 -0.031 0.000 1.234 363 G CA 1.131 46.274 45.100 0.071 0.000 0.788 363 G HN 0.439 nan 8.290 nan 0.000 0.619 364 L N 0.219 121.302 121.223 -0.235 0.000 2.131 364 L HA -0.103 4.233 4.340 -0.006 0.000 0.210 364 L C 3.097 179.849 176.870 -0.195 0.000 1.092 364 L CA 0.748 55.353 54.840 -0.392 0.000 0.759 364 L CB -0.211 41.363 42.059 -0.809 0.000 0.903 364 L HN 0.181 nan 8.230 nan 0.000 0.435 365 V N -0.984 118.841 119.914 -0.149 0.000 2.255 365 V HA -0.323 3.794 4.120 -0.006 0.000 0.247 365 V C 2.543 178.597 176.094 -0.067 0.000 1.051 365 V CA 2.056 64.299 62.300 -0.094 0.000 1.018 365 V CB -0.594 31.188 31.823 -0.068 0.000 0.641 365 V HN 0.422 nan 8.190 nan 0.000 0.445 366 S N 0.104 115.776 115.700 -0.047 0.000 2.369 366 S HA -0.233 4.233 4.470 -0.006 0.000 0.225 366 S C 1.995 176.578 174.600 -0.029 0.000 1.043 366 S CA 1.907 60.090 58.200 -0.028 0.000 1.074 366 S CB -0.481 62.713 63.200 -0.010 0.000 0.962 366 S HN 0.393 nan 8.310 nan 0.000 0.433 367 V N 2.232 122.128 119.914 -0.031 0.000 2.469 367 V HA -0.172 3.944 4.120 -0.006 0.000 0.251 367 V C 2.571 178.648 176.094 -0.028 0.000 1.064 367 V CA 1.905 64.193 62.300 -0.021 0.000 1.066 367 V CB -1.124 30.692 31.823 -0.013 0.000 0.667 367 V HN 0.714 nan 8.190 nan 0.000 0.461 368 S N -0.070 115.603 115.700 -0.044 0.000 2.436 368 S HA -0.076 4.390 4.470 -0.006 0.000 0.228 368 S C 1.900 176.472 174.600 -0.047 0.000 1.014 368 S CA 1.029 59.203 58.200 -0.044 0.000 0.950 368 S CB -0.284 62.881 63.200 -0.058 0.000 0.784 368 S HN 0.519 nan 8.310 nan 0.000 0.504 369 M N 1.461 121.033 119.600 -0.047 0.000 2.175 369 M HA 0.123 4.599 4.480 -0.006 0.000 0.264 369 M C 2.426 178.707 176.300 -0.032 0.000 1.063 369 M CA 1.624 56.898 55.300 -0.043 0.000 1.119 369 M CB -1.693 30.883 32.600 -0.040 0.000 1.377 369 M HN 0.522 nan 8.290 nan 0.000 0.415 370 G N 0.248 109.032 108.800 -0.026 0.000 2.464 370 G HA2 -0.038 3.918 3.960 -0.006 0.000 0.217 370 G HA3 -0.038 3.918 3.960 -0.006 0.000 0.217 370 G C 0.302 175.193 174.900 -0.015 0.000 1.138 370 G CA 0.184 45.273 45.100 -0.019 0.000 0.793 370 G HN 0.530 nan 8.290 nan 0.000 0.539 371 C N 1.075 120.367 119.300 -0.013 0.000 2.492 371 C HA 0.381 4.837 4.460 -0.006 0.000 0.284 371 C C -1.374 173.611 174.990 -0.007 0.000 1.082 371 C CA -1.402 57.612 59.018 -0.007 0.000 1.555 371 C CB 1.265 29.006 27.740 0.001 0.000 1.798 371 C HN 0.142 nan 8.230 nan 0.000 0.413 372 P HA -0.177 nan 4.420 nan 0.000 0.219 372 P C 1.454 178.750 177.300 -0.006 0.000 1.144 372 P CA 1.485 64.578 63.100 -0.011 0.000 0.806 372 P CB 0.173 31.867 31.700 -0.010 0.000 0.771 373 K N -1.681 118.719 120.400 0.001 0.000 2.353 373 K HA 0.168 4.484 4.320 -0.006 0.000 0.195 373 K C 0.838 177.447 176.600 0.015 0.000 1.031 373 K CA -0.370 55.921 56.287 0.008 0.000 1.079 373 K CB -0.242 32.264 32.500 0.010 0.000 0.857 373 K HN 0.242 nan 8.250 nan 0.000 0.535 374 L N 2.998 124.230 121.223 0.015 0.000 2.640 374 L HA -0.144 4.193 4.340 -0.006 0.000 0.280 374 L C 0.979 177.868 176.870 0.032 0.000 1.229 374 L CA 1.174 56.029 54.840 0.026 0.000 0.919 374 L CB 0.313 42.384 42.059 0.020 0.000 1.168 374 L HN 0.399 nan 8.230 nan 0.000 0.496 375 E N 1.351 121.578 120.200 0.045 0.000 2.646 375 E HA 0.050 4.396 4.350 -0.006 0.000 0.207 375 E C 0.011 176.654 176.600 0.071 0.000 0.922 375 E CA -0.364 56.068 56.400 0.052 0.000 1.482 375 E CB 0.355 30.079 29.700 0.040 0.000 1.509 375 E HN 0.398 nan 8.360 nan 0.000 0.831 376 S N 0.912 116.652 115.700 0.067 0.000 2.449 376 S HA 0.632 5.098 4.470 -0.006 0.000 0.310 376 S C -0.864 173.758 174.600 0.038 0.000 1.096 376 S CA -0.496 57.741 58.200 0.063 0.000 1.095 376 S CB 1.635 64.871 63.200 0.061 0.000 1.007 376 S HN 0.138 nan 8.310 nan 0.000 0.474 377 V N 5.037 124.957 119.914 0.010 0.000 2.789 377 V HA 0.707 4.823 4.120 -0.006 0.000 0.311 377 V C -1.151 174.833 176.094 -0.183 0.000 1.073 377 V CA -0.815 61.439 62.300 -0.077 0.000 0.921 377 V CB 1.871 33.640 31.823 -0.089 0.000 1.009 377 V HN 0.850 nan 8.190 nan 0.000 0.426 378 L N 4.812 125.905 121.223 -0.216 0.000 2.439 378 L HA 0.671 5.007 4.340 -0.006 0.000 0.270 378 L C -1.812 174.940 176.870 -0.196 0.000 0.972 378 L CA -0.347 54.332 54.840 -0.269 0.000 0.836 378 L CB 1.579 43.438 42.059 -0.334 0.000 1.255 378 L HN 0.649 nan 8.230 nan 0.000 0.404 379 Y N 5.041 125.117 120.300 -0.373 0.000 2.354 379 Y HA 0.649 5.195 4.550 -0.006 0.000 0.330 379 Y C -1.663 174.108 175.900 -0.215 0.000 1.011 379 Y CA -0.795 57.158 58.100 -0.244 0.000 1.099 379 Y CB 1.502 39.796 38.460 -0.278 0.000 1.179 379 Y HN 0.499 nan 8.280 nan 0.000 0.442 380 F N 5.891 125.490 119.950 -0.586 0.000 2.361 380 F HA 0.509 5.032 4.527 -0.007 0.000 0.364 380 F C 0.311 175.831 175.800 -0.468 0.000 1.117 380 F CA -1.033 56.725 58.000 -0.404 0.000 1.071 380 F CB 0.242 39.045 39.000 -0.329 0.000 1.188 380 F HN 0.599 nan 8.300 nan 0.000 0.464 381 C N 1.574 120.810 119.300 -0.106 0.000 2.967 381 C HA 0.673 5.129 4.460 -0.006 0.000 0.372 381 C C 1.100 176.070 174.990 -0.033 0.000 1.455 381 C CA -0.951 58.030 59.018 -0.061 0.000 1.638 381 C CB 2.142 29.936 27.740 0.090 0.000 2.096 381 C HN 0.868 nan 8.230 nan 0.000 0.466 382 R N 0.425 120.897 120.500 -0.048 0.000 2.476 382 R HA 0.249 4.586 4.340 -0.006 0.000 0.276 382 R C -0.262 175.992 176.300 -0.077 0.000 0.941 382 R CA 0.226 56.291 56.100 -0.058 0.000 1.088 382 R CB 0.280 30.537 30.300 -0.072 0.000 1.216 382 R HN 0.920 nan 8.270 nan 0.000 0.533 383 Q N -0.303 119.444 119.800 -0.087 0.000 2.647 383 Q HA 0.470 4.806 4.340 -0.006 0.000 0.283 383 Q C -1.615 174.340 176.000 -0.075 0.000 0.943 383 Q CA -1.002 54.708 55.803 -0.155 0.000 0.813 383 Q CB 1.648 30.110 28.738 -0.461 0.000 1.477 383 Q HN -0.031 nan 8.270 nan 0.000 0.393 384 M N 0.946 120.573 119.600 0.046 0.000 2.895 384 M HA 0.662 5.139 4.480 -0.006 0.000 0.271 384 M C -2.031 174.414 176.300 0.241 0.000 1.174 384 M CA 0.416 55.786 55.300 0.117 0.000 0.816 384 M CB 2.473 35.114 32.600 0.069 0.000 1.647 384 M HN 1.038 nan 8.290 nan 0.000 0.506 385 T N -1.487 113.152 114.554 0.142 0.000 2.868 385 T HA 0.514 4.860 4.350 -0.006 0.000 0.306 385 T C -0.201 174.496 174.700 -0.005 0.000 1.224 385 T CA -0.812 61.340 62.100 0.086 0.000 1.012 385 T CB 1.256 70.163 68.868 0.065 0.000 1.221 385 T HN 0.683 nan 8.240 nan 0.000 0.499 386 N N 0.329 119.015 118.700 -0.023 0.000 2.396 386 N HA -0.019 4.717 4.740 -0.006 0.000 0.180 386 N C 2.049 177.513 175.510 -0.077 0.000 1.028 386 N CA 1.095 54.110 53.050 -0.059 0.000 0.893 386 N CB -0.225 38.244 38.487 -0.030 0.000 0.967 386 N HN 0.784 nan 8.380 nan 0.000 0.440 387 A N 1.472 124.257 122.820 -0.058 0.000 1.872 387 A HA 0.095 4.411 4.320 -0.006 0.000 0.214 387 A C 2.441 179.981 177.584 -0.073 0.000 1.187 387 A CA 1.489 53.488 52.037 -0.063 0.000 0.614 387 A CB -0.718 18.250 19.000 -0.052 0.000 0.826 387 A HN 0.267 nan 8.150 nan 0.000 0.442 388 A N 0.148 122.935 122.820 -0.056 0.000 1.859 388 A HA -0.192 4.124 4.320 -0.006 0.000 0.218 388 A C 2.176 179.689 177.584 -0.119 0.000 1.209 388 A CA 1.824 53.819 52.037 -0.070 0.000 0.639 388 A CB -0.997 17.977 19.000 -0.044 0.000 0.835 388 A HN 0.484 nan 8.150 nan 0.000 0.450 389 L N -0.610 120.521 121.223 -0.152 0.000 2.043 389 L HA -0.232 4.104 4.340 -0.006 0.000 0.212 389 L C 2.569 179.304 176.870 -0.226 0.000 1.075 389 L CA 1.450 56.148 54.840 -0.237 0.000 0.752 389 L CB -0.493 41.355 42.059 -0.350 0.000 0.891 389 L HN 0.440 nan 8.230 nan 0.000 0.432 390 I N -0.977 119.491 120.570 -0.170 0.000 2.252 390 I HA -0.275 3.891 4.170 -0.006 0.000 0.245 390 I C 2.532 178.547 176.117 -0.169 0.000 1.102 390 I CA 1.491 62.699 61.300 -0.153 0.000 1.385 390 I CB -0.463 37.468 38.000 -0.114 0.000 1.064 390 I HN 0.269 nan 8.210 nan 0.000 0.414 391 T N 1.436 115.903 114.554 -0.146 0.000 2.652 391 T HA -0.163 4.183 4.350 -0.006 0.000 0.267 391 T C 1.900 176.506 174.700 -0.157 0.000 1.039 391 T CA 1.524 63.540 62.100 -0.140 0.000 1.153 391 T CB -0.304 68.501 68.868 -0.105 0.000 0.863 391 T HN 0.223 nan 8.240 nan 0.000 0.428 392 I N 1.319 121.792 120.570 -0.162 0.000 2.194 392 I HA -0.255 3.912 4.170 -0.006 0.000 0.246 392 I C 2.837 178.827 176.117 -0.212 0.000 1.093 392 I CA 1.398 62.594 61.300 -0.173 0.000 1.355 392 I CB -0.477 37.414 38.000 -0.181 0.000 1.046 392 I HN 0.203 nan 8.210 nan 0.000 0.413 393 A N 0.394 123.064 122.820 -0.250 0.000 1.929 393 A HA -0.188 4.128 4.320 -0.006 0.000 0.216 393 A C 2.344 179.767 177.584 -0.268 0.000 1.176 393 A CA 1.473 53.366 52.037 -0.241 0.000 0.628 393 A CB -0.468 18.423 19.000 -0.182 0.000 0.816 393 A HN 0.258 nan 8.150 nan 0.000 0.444 394 R N 0.458 120.769 120.500 -0.315 0.000 2.070 394 R HA -0.102 4.235 4.340 -0.006 0.000 0.233 394 R C 1.871 178.028 176.300 -0.238 0.000 1.137 394 R CA 1.996 57.877 56.100 -0.366 0.000 0.945 394 R CB -0.365 29.766 30.300 -0.281 0.000 0.845 394 R HN 0.529 nan 8.270 nan 0.000 0.430 395 N N 0.216 118.811 118.700 -0.176 0.000 2.244 395 N HA -0.089 4.647 4.740 -0.006 0.000 0.183 395 N C 0.131 175.579 175.510 -0.103 0.000 1.016 395 N CA 0.978 53.954 53.050 -0.124 0.000 0.866 395 N CB 0.152 38.577 38.487 -0.103 0.000 0.980 395 N HN 0.121 nan 8.380 nan 0.000 0.430 396 R N 0.783 121.215 120.500 -0.113 0.000 3.026 396 R HA 0.218 4.554 4.340 -0.006 0.000 0.317 396 R C -1.815 174.440 176.300 -0.075 0.000 1.278 396 R CA -1.271 54.780 56.100 -0.081 0.000 1.407 396 R CB 0.739 30.999 30.300 -0.067 0.000 1.368 396 R HN 0.176 nan 8.270 nan 0.000 0.612 397 P HA -0.171 nan 4.420 nan 0.000 0.223 397 P C 0.556 177.842 177.300 -0.022 0.000 1.144 397 P CA 1.174 64.249 63.100 -0.041 0.000 0.783 397 P CB 0.180 31.859 31.700 -0.034 0.000 0.771 398 N N -1.078 117.610 118.700 -0.020 0.000 2.412 398 N HA -0.021 4.715 4.740 -0.006 0.000 0.184 398 N C 0.742 176.255 175.510 0.005 0.000 1.101 398 N CA -0.132 52.915 53.050 -0.005 0.000 0.881 398 N CB -0.766 37.719 38.487 -0.004 0.000 0.969 398 N HN 0.061 nan 8.380 nan 0.000 0.459 399 M N 2.299 121.898 119.600 -0.001 0.000 2.240 399 M HA -0.061 4.415 4.480 -0.006 0.000 0.346 399 M C 0.946 177.267 176.300 0.036 0.000 1.236 399 M CA 0.750 56.062 55.300 0.020 0.000 0.986 399 M CB 0.573 33.169 32.600 -0.007 0.000 1.786 399 M HN 0.324 nan 8.290 nan 0.000 0.457 400 T N 1.262 115.853 114.554 0.061 0.000 3.009 400 T HA 0.448 4.795 4.350 -0.006 0.000 0.267 400 T C 0.187 174.939 174.700 0.088 0.000 0.942 400 T CA -0.476 61.662 62.100 0.064 0.000 0.883 400 T CB 0.255 69.153 68.868 0.050 0.000 1.192 400 T HN 0.680 nan 8.240 nan 0.000 0.524 401 R N 0.183 120.752 120.500 0.115 0.000 2.510 401 R HA 0.638 4.974 4.340 -0.006 0.000 0.287 401 R C -2.366 174.056 176.300 0.203 0.000 1.084 401 R CA -0.566 55.614 56.100 0.133 0.000 0.934 401 R CB 1.989 32.337 30.300 0.080 0.000 1.201 401 R HN 0.277 nan 8.270 nan 0.000 0.431 402 F N 2.576 122.546 119.950 0.033 0.000 2.579 402 F HA 0.517 5.039 4.527 -0.007 0.000 0.325 402 F C -0.903 174.930 175.800 0.055 0.000 1.162 402 F CA -0.536 57.484 58.000 0.034 0.000 0.946 402 F CB 1.403 40.430 39.000 0.044 0.000 1.211 402 F HN 0.315 nan 8.300 nan 0.000 0.447 403 R N 6.265 126.530 120.500 -0.392 0.000 2.467 403 R HA 0.501 4.838 4.340 -0.006 0.000 0.299 403 R C -1.833 174.201 176.300 -0.443 0.000 1.120 403 R CA -0.828 55.115 56.100 -0.261 0.000 0.940 403 R CB 1.633 31.834 30.300 -0.166 0.000 1.161 403 R HN 0.504 nan 8.270 nan 0.000 0.506 404 L N 2.568 123.593 121.223 -0.330 0.000 2.325 404 L HA 0.589 4.925 4.340 -0.006 0.000 0.278 404 L C -1.057 175.672 176.870 -0.235 0.000 1.023 404 L CA -1.056 53.612 54.840 -0.286 0.000 0.811 404 L CB 1.848 43.868 42.059 -0.066 0.000 1.249 404 L HN 0.772 nan 8.230 nan 0.000 0.431 405 C N 6.564 125.650 119.300 -0.357 0.000 2.654 405 C HA 0.572 5.029 4.460 -0.006 0.000 0.315 405 C C -0.352 174.485 174.990 -0.255 0.000 1.054 405 C CA -0.816 57.941 59.018 -0.436 0.000 1.419 405 C CB -0.988 26.157 27.740 -0.993 0.000 1.889 405 C HN 0.724 nan 8.230 nan 0.000 0.447 406 I N 6.806 127.321 120.570 -0.092 0.000 2.441 406 I HA 0.202 4.368 4.170 -0.006 0.000 0.287 406 I C 1.324 177.415 176.117 -0.044 0.000 1.049 406 I CA -0.185 61.095 61.300 -0.034 0.000 1.381 406 I CB 0.870 38.883 38.000 0.022 0.000 1.409 406 I HN 0.539 nan 8.210 nan 0.000 0.523 407 I N 3.563 124.114 120.570 -0.030 0.000 2.133 407 I HA -0.127 4.039 4.170 -0.006 0.000 0.238 407 I C 1.446 177.542 176.117 -0.035 0.000 1.074 407 I CA 1.177 62.465 61.300 -0.020 0.000 1.342 407 I CB -0.790 37.203 38.000 -0.012 0.000 1.053 407 I HN 0.644 nan 8.210 nan 0.000 0.404 408 E N 3.681 123.860 120.200 -0.035 0.000 2.299 408 E HA 0.093 4.439 4.350 -0.006 0.000 0.272 408 E C -2.273 174.288 176.600 -0.065 0.000 1.043 408 E CA -1.655 54.717 56.400 -0.047 0.000 0.895 408 E CB 0.980 30.663 29.700 -0.028 0.000 1.011 408 E HN 0.072 nan 8.360 nan 0.000 0.432 409 P HA 0.078 nan 4.420 nan 0.000 0.274 409 P C -0.829 176.430 177.300 -0.068 0.000 1.246 409 P CA -0.171 62.836 63.100 -0.155 0.000 0.795 409 P CB 0.378 31.819 31.700 -0.431 0.000 1.006 410 K N -1.807 118.591 120.400 -0.004 0.000 3.020 410 K HA -0.193 4.123 4.320 -0.006 0.000 0.266 410 K C 0.091 176.719 176.600 0.048 0.000 1.067 410 K CA 0.597 56.914 56.287 0.049 0.000 0.780 410 K CB -2.190 30.343 32.500 0.055 0.000 1.220 410 K HN 0.630 nan 8.250 nan 0.000 0.483 411 A N 1.623 124.468 122.820 0.042 0.000 2.454 411 A HA 0.309 4.626 4.320 -0.006 0.000 0.260 411 A C -1.744 175.891 177.584 0.085 0.000 1.106 411 A CA -0.967 51.103 52.037 0.054 0.000 0.780 411 A CB 0.074 19.099 19.000 0.042 0.000 1.044 411 A HN 0.008 nan 8.150 nan 0.000 0.498 412 P HA 0.080 nan 4.420 nan 0.000 0.276 412 P C -0.321 177.052 177.300 0.122 0.000 1.244 412 P CA -0.524 62.635 63.100 0.098 0.000 0.801 412 P CB 0.471 32.219 31.700 0.080 0.000 1.006 413 D N 1.218 121.686 120.400 0.113 0.000 2.752 413 D HA -0.193 4.444 4.640 -0.006 0.000 0.225 413 D C 0.620 176.994 176.300 0.123 0.000 1.104 413 D CA 0.543 54.613 54.000 0.116 0.000 0.832 413 D CB 0.246 41.076 40.800 0.050 0.000 1.161 413 D HN 0.474 nan 8.370 nan 0.000 0.505 414 Y N 2.495 122.805 120.300 0.017 0.000 2.544 414 Y HA 0.139 4.685 4.550 -0.007 0.000 0.286 414 Y C 1.440 177.347 175.900 0.012 0.000 1.141 414 Y CA -0.133 57.976 58.100 0.015 0.000 1.299 414 Y CB 0.019 38.488 38.460 0.014 0.000 1.030 414 Y HN 0.295 nan 8.280 nan 0.000 0.543 415 L N 0.410 121.292 121.223 -0.569 0.000 2.189 415 L HA 0.003 4.340 4.340 -0.006 0.000 0.199 415 L C 2.486 179.246 176.870 -0.184 0.000 1.074 415 L CA 1.352 55.934 54.840 -0.430 0.000 0.783 415 L CB -0.583 41.205 42.059 -0.452 0.000 0.955 415 L HN 0.339 nan 8.230 nan 0.000 0.460 416 T N -3.163 111.315 114.554 -0.126 0.000 3.100 416 T HA 0.143 4.489 4.350 -0.006 0.000 0.253 416 T C 1.236 175.923 174.700 -0.021 0.000 1.118 416 T CA -0.097 61.968 62.100 -0.058 0.000 1.058 416 T CB 0.093 68.937 68.868 -0.040 0.000 0.953 416 T HN 0.227 nan 8.240 nan 0.000 0.515 417 L N -0.541 120.676 121.223 -0.010 0.000 5.051 417 L HA -0.207 4.129 4.340 -0.006 0.000 0.432 417 L C 0.310 177.203 176.870 0.037 0.000 1.055 417 L CA 0.864 55.717 54.840 0.023 0.000 1.095 417 L CB -1.801 40.269 42.059 0.018 0.000 1.957 417 L HN 0.510 nan 8.230 nan 0.000 0.727 418 E N 0.162 120.384 120.200 0.036 0.000 2.322 418 E HA 0.338 4.685 4.350 -0.006 0.000 0.257 418 E C -2.102 174.542 176.600 0.072 0.000 1.155 418 E CA -1.884 54.545 56.400 0.050 0.000 0.936 418 E CB 0.489 30.214 29.700 0.043 0.000 1.130 418 E HN -0.053 nan 8.360 nan 0.000 0.465 419 P HA -0.024 nan 4.420 nan 0.000 0.271 419 P C -0.067 177.310 177.300 0.128 0.000 1.233 419 P CA 0.231 63.396 63.100 0.108 0.000 0.789 419 P CB 0.462 32.226 31.700 0.108 0.000 0.951 420 L N 1.263 122.589 121.223 0.173 0.000 2.629 420 L HA 0.013 4.349 4.340 -0.006 0.000 0.230 420 L C 0.839 177.880 176.870 0.285 0.000 1.151 420 L CA 0.345 55.314 54.840 0.214 0.000 0.924 420 L CB -0.441 41.807 42.059 0.315 0.000 1.137 420 L HN 0.360 nan 8.230 nan 0.000 0.457 421 D N 1.123 121.670 120.400 0.245 0.000 2.104 421 D HA -0.237 4.399 4.640 -0.006 0.000 0.194 421 D C 2.119 178.646 176.300 0.379 0.000 0.994 421 D CA 1.623 55.811 54.000 0.313 0.000 0.830 421 D CB -0.130 40.814 40.800 0.240 0.000 0.959 421 D HN 0.528 nan 8.370 nan 0.000 0.452 422 I N -0.982 119.739 120.570 0.252 0.000 2.315 422 I HA -0.004 4.162 4.170 -0.006 0.000 0.248 422 I C 2.343 178.436 176.117 -0.039 0.000 1.117 422 I CA 1.552 62.895 61.300 0.072 0.000 1.404 422 I CB -0.976 37.047 38.000 0.038 0.000 1.071 422 I HN -0.083 nan 8.210 nan 0.000 0.419 423 G N 1.707 110.499 108.800 -0.013 0.000 2.679 423 G HA2 -0.292 3.664 3.960 -0.006 0.000 0.217 423 G HA3 -0.292 3.664 3.960 -0.006 0.000 0.217 423 G C 1.432 176.213 174.900 -0.199 0.000 1.267 423 G CA 1.373 46.386 45.100 -0.144 0.000 0.799 423 G HN 0.469 nan 8.290 nan 0.000 0.606 424 F N 1.840 121.776 119.950 -0.022 0.000 2.250 424 F HA -0.030 4.494 4.527 -0.005 0.000 0.301 424 F C 2.917 178.666 175.800 -0.085 0.000 1.077 424 F CA 0.805 58.784 58.000 -0.036 0.000 1.348 424 F CB -0.322 38.689 39.000 0.018 0.000 1.040 424 F HN 0.234 nan 8.300 nan 0.000 0.509 425 G N -0.328 108.489 108.800 0.029 0.000 2.440 425 G HA2 -0.242 3.714 3.960 -0.006 0.000 0.218 425 G HA3 -0.242 3.714 3.960 -0.006 0.000 0.218 425 G C 1.873 176.548 174.900 -0.375 0.000 1.154 425 G CA 0.838 45.756 45.100 -0.304 0.000 0.767 425 G HN 0.453 nan 8.290 nan 0.000 0.552 426 A N 0.952 123.601 122.820 -0.285 0.000 1.873 426 A HA 0.058 4.374 4.320 -0.006 0.000 0.215 426 A C 2.353 179.834 177.584 -0.171 0.000 1.186 426 A CA 1.288 53.201 52.037 -0.208 0.000 0.616 426 A CB -0.298 18.643 19.000 -0.097 0.000 0.823 426 A HN 0.251 nan 8.150 nan 0.000 0.442 427 I N 0.636 121.082 120.570 -0.208 0.000 2.068 427 I HA -0.272 3.895 4.170 -0.006 0.000 0.238 427 I C 2.746 178.769 176.117 -0.158 0.000 1.046 427 I CA 2.250 63.401 61.300 -0.249 0.000 1.306 427 I CB -1.527 36.272 38.000 -0.336 0.000 1.023 427 I HN 0.382 nan 8.210 nan 0.000 0.399 428 V N -1.220 118.632 119.914 -0.103 0.000 2.515 428 V HA -0.190 3.926 4.120 -0.006 0.000 0.250 428 V C 2.337 178.346 176.094 -0.140 0.000 1.058 428 V CA 1.850 64.124 62.300 -0.044 0.000 1.064 428 V CB -1.001 30.867 31.823 0.074 0.000 0.675 428 V HN 0.453 nan 8.190 nan 0.000 0.461 429 E N -0.165 119.766 120.200 -0.448 0.000 2.028 429 E HA -0.234 4.112 4.350 -0.006 0.000 0.191 429 E C 2.248 178.530 176.600 -0.529 0.000 0.988 429 E CA 1.558 57.459 56.400 -0.831 0.000 0.799 429 E CB -0.162 28.745 29.700 -1.322 0.000 0.755 429 E HN 0.763 nan 8.360 nan 0.000 0.447 430 H N -1.415 117.497 119.070 -0.262 0.000 2.544 430 H HA 0.117 4.670 4.556 -0.004 0.000 0.269 430 H C 0.309 175.560 175.328 -0.129 0.000 0.970 430 H CA 0.362 56.300 56.048 -0.183 0.000 1.219 430 H CB 0.167 29.814 29.762 -0.193 0.000 1.421 430 H HN 0.147 nan 8.280 nan 0.000 0.555 431 C N 2.312 121.597 119.300 -0.025 0.000 2.364 431 C HA 0.205 4.661 4.460 -0.006 0.000 0.405 431 C C 1.635 176.623 174.990 -0.003 0.000 1.122 431 C CA -0.876 58.130 59.018 -0.021 0.000 1.601 431 C CB -0.648 27.061 27.740 -0.052 0.000 1.601 431 C HN 0.376 nan 8.230 nan 0.000 0.509 432 K N 0.486 120.889 120.400 0.005 0.000 2.362 432 K HA -0.140 4.177 4.320 -0.006 0.000 0.202 432 K C 0.663 177.279 176.600 0.027 0.000 1.045 432 K CA 1.116 57.414 56.287 0.020 0.000 0.936 432 K CB 0.102 32.615 32.500 0.022 0.000 0.747 432 K HN 0.603 nan 8.250 nan 0.000 0.467 433 D N 0.445 120.860 120.400 0.024 0.000 2.402 433 D HA 0.011 4.647 4.640 -0.006 0.000 0.216 433 D C -0.217 176.107 176.300 0.040 0.000 1.128 433 D CA -0.234 53.785 54.000 0.031 0.000 0.833 433 D CB 0.085 40.901 40.800 0.027 0.000 0.971 433 D HN 0.001 nan 8.370 nan 0.000 0.503 434 L N 2.471 123.718 121.223 0.041 0.000 2.737 434 L HA -0.089 4.248 4.340 -0.006 0.000 0.275 434 L C 1.518 178.428 176.870 0.067 0.000 1.179 434 L CA 0.651 55.526 54.840 0.057 0.000 0.970 434 L CB 0.194 42.286 42.059 0.055 0.000 1.268 434 L HN 0.034 nan 8.230 nan 0.000 0.485 435 R N 3.446 123.988 120.500 0.071 0.000 2.365 435 R HA 0.295 4.631 4.340 -0.006 0.000 0.223 435 R C 0.360 176.706 176.300 0.076 0.000 0.899 435 R CA -0.351 55.789 56.100 0.066 0.000 1.059 435 R CB 0.406 30.737 30.300 0.053 0.000 1.086 435 R HN 0.573 nan 8.270 nan 0.000 0.522 436 R N 0.261 120.816 120.500 0.091 0.000 2.629 436 R HA 0.457 4.794 4.340 -0.006 0.000 0.266 436 R C -2.386 173.996 176.300 0.136 0.000 1.051 436 R CA -0.746 55.416 56.100 0.104 0.000 0.895 436 R CB 1.732 32.084 30.300 0.087 0.000 1.246 436 R HN 0.098 nan 8.270 nan 0.000 0.459 437 L N 1.735 123.040 121.223 0.136 0.000 2.565 437 L HA 0.627 4.963 4.340 -0.006 0.000 0.261 437 L C -1.826 175.122 176.870 0.130 0.000 0.932 437 L CA 0.133 55.072 54.840 0.166 0.000 0.878 437 L CB 2.678 44.841 42.059 0.172 0.000 1.333 437 L HN 0.688 nan 8.230 nan 0.000 0.409 438 S N 4.872 120.638 115.700 0.111 0.000 2.536 438 S HA 0.854 5.320 4.470 -0.006 0.000 0.287 438 S C -0.963 173.632 174.600 -0.010 0.000 1.101 438 S CA -0.598 57.634 58.200 0.053 0.000 0.950 438 S CB 1.791 65.008 63.200 0.028 0.000 1.056 438 S HN 0.563 nan 8.310 nan 0.000 0.481 439 L N 2.161 123.321 121.223 -0.106 0.000 2.323 439 L HA 0.858 5.195 4.340 -0.006 0.000 0.265 439 L C -0.098 176.680 176.870 -0.153 0.000 1.012 439 L CA -0.357 54.268 54.840 -0.360 0.000 0.820 439 L CB 2.182 43.947 42.059 -0.491 0.000 1.334 439 L HN 0.935 nan 8.230 nan 0.000 0.427 440 S N -0.283 115.353 115.700 -0.107 0.000 2.669 440 S HA 0.852 5.318 4.470 -0.006 0.000 0.266 440 S C -0.440 174.247 174.600 0.145 0.000 1.149 440 S CA -0.369 57.854 58.200 0.038 0.000 0.842 440 S CB 1.122 64.335 63.200 0.021 0.000 1.160 440 S HN 1.438 nan 8.310 nan 0.000 0.487 441 G N -0.339 108.531 108.800 0.117 0.000 2.781 441 G HA2 0.187 4.144 3.960 -0.006 0.000 0.683 441 G HA3 0.187 4.144 3.960 -0.006 0.000 0.683 441 G C -0.808 174.165 174.900 0.121 0.000 1.390 441 G CA -0.517 44.663 45.100 0.133 0.000 0.850 441 G HN 1.662 nan 8.290 nan 0.000 0.557 442 L N 0.146 121.438 121.223 0.114 0.000 2.660 442 L HA 0.500 4.836 4.340 -0.006 0.000 0.272 442 L C 0.337 177.280 176.870 0.122 0.000 1.194 442 L CA 0.832 55.738 54.840 0.110 0.000 0.945 442 L CB -0.502 41.615 42.059 0.097 0.000 1.212 442 L HN 0.519 nan 8.230 nan 0.000 0.490 443 L N 4.192 125.485 121.223 0.116 0.000 2.455 443 L HA 0.563 4.900 4.340 -0.006 0.000 0.264 443 L C 0.134 177.092 176.870 0.147 0.000 0.968 443 L CA -0.641 54.264 54.840 0.108 0.000 0.827 443 L CB 2.232 44.314 42.059 0.039 0.000 1.317 443 L HN 0.640 nan 8.230 nan 0.000 0.407 444 T N -3.848 110.792 114.554 0.144 0.000 2.922 444 T HA 0.295 4.642 4.350 -0.006 0.000 0.281 444 T C 0.457 175.321 174.700 0.273 0.000 1.005 444 T CA -0.658 61.545 62.100 0.172 0.000 0.982 444 T CB 1.383 70.319 68.868 0.114 0.000 1.158 444 T HN 0.479 nan 8.240 nan 0.000 0.566 445 D N -0.326 120.243 120.400 0.282 0.000 2.354 445 D HA -0.042 4.595 4.640 -0.006 0.000 0.216 445 D C 1.689 178.161 176.300 0.286 0.000 0.970 445 D CA 0.839 55.070 54.000 0.385 0.000 0.905 445 D CB -0.139 40.813 40.800 0.255 0.000 0.903 445 D HN 0.563 nan 8.370 nan 0.000 0.508 446 K N 0.446 120.891 120.400 0.075 0.000 2.057 446 K HA -0.072 4.245 4.320 -0.006 0.000 0.206 446 K C 1.889 178.214 176.600 -0.457 0.000 1.050 446 K CA 0.452 56.611 56.287 -0.214 0.000 0.935 446 K CB -0.549 31.815 32.500 -0.226 0.000 0.715 446 K HN -0.051 nan 8.250 nan 0.000 0.439 447 V N 0.363 120.158 119.914 -0.199 0.000 2.380 447 V HA -0.254 3.862 4.120 -0.006 0.000 0.251 447 V C 1.700 177.710 176.094 -0.141 0.000 1.063 447 V CA 1.943 64.172 62.300 -0.118 0.000 1.055 447 V CB -0.409 31.285 31.823 -0.214 0.000 0.657 447 V HN 0.349 nan 8.190 nan 0.000 0.455 448 F N 0.244 120.219 119.950 0.042 0.000 2.146 448 F HA -0.099 4.425 4.527 -0.005 0.000 0.298 448 F C 2.486 178.293 175.800 0.011 0.000 1.096 448 F CA 1.840 59.886 58.000 0.077 0.000 1.275 448 F CB -0.463 38.612 39.000 0.124 0.000 1.008 448 F HN 0.187 nan 8.300 nan 0.000 0.480 449 E N -0.046 120.157 120.200 0.004 0.000 2.130 449 E HA -0.250 4.096 4.350 -0.006 0.000 0.196 449 E C 2.096 178.639 176.600 -0.095 0.000 0.998 449 E CA 1.587 57.753 56.400 -0.389 0.000 0.806 449 E CB -0.319 29.047 29.700 -0.557 0.000 0.738 449 E HN 0.561 nan 8.360 nan 0.000 0.459 450 Y N 0.099 120.415 120.300 0.026 0.000 2.070 450 Y HA -0.249 4.297 4.550 -0.005 0.000 0.280 450 Y C 2.516 178.506 175.900 0.150 0.000 1.148 450 Y CA 0.740 58.923 58.100 0.139 0.000 1.125 450 Y CB -0.176 38.367 38.460 0.138 0.000 0.975 450 Y HN 0.054 nan 8.280 nan 0.000 0.492 451 I N 0.140 120.869 120.570 0.265 0.000 2.118 451 I HA -0.310 3.856 4.170 -0.006 0.000 0.241 451 I C 2.704 178.910 176.117 0.148 0.000 1.070 451 I CA 1.825 63.240 61.300 0.192 0.000 1.327 451 I CB -0.893 37.196 38.000 0.148 0.000 1.034 451 I HN 0.277 nan 8.210 nan 0.000 0.405 452 G N -0.725 108.145 108.800 0.116 0.000 2.440 452 G HA2 -0.240 3.717 3.960 -0.006 0.000 0.218 452 G HA3 -0.240 3.717 3.960 -0.006 0.000 0.218 452 G C 1.672 176.552 174.900 -0.034 0.000 1.154 452 G CA 1.535 46.663 45.100 0.047 0.000 0.767 452 G HN 0.331 nan 8.290 nan 0.000 0.552 453 T N -0.439 114.048 114.554 -0.111 0.000 2.812 453 T HA -0.012 4.335 4.350 -0.006 0.000 0.264 453 T C 1.964 176.445 174.700 -0.365 0.000 1.042 453 T CA 1.214 63.122 62.100 -0.321 0.000 1.140 453 T CB -0.206 68.275 68.868 -0.644 0.000 0.870 453 T HN 0.474 nan 8.240 nan 0.000 0.445 454 Y N 0.331 120.643 120.300 0.020 0.000 2.558 454 Y HA 0.520 5.067 4.550 -0.005 0.000 0.273 454 Y C 1.872 177.774 175.900 0.003 0.000 1.100 454 Y CA -0.428 57.668 58.100 -0.007 0.000 1.276 454 Y CB 0.230 38.666 38.460 -0.040 0.000 1.196 454 Y HN 0.016 nan 8.280 nan 0.000 0.527 455 A N 1.421 124.344 122.820 0.170 0.000 3.052 455 A HA 0.083 4.400 4.320 -0.006 0.000 0.266 455 A C 1.232 178.865 177.584 0.082 0.000 1.855 455 A CA 0.065 52.172 52.037 0.117 0.000 1.473 455 A CB -0.418 18.651 19.000 0.116 0.000 1.038 455 A HN 0.158 nan 8.150 nan 0.000 0.619 456 K N 0.460 120.903 120.400 0.072 0.000 2.305 456 K HA 0.022 4.338 4.320 -0.006 0.000 0.199 456 K C 0.834 177.463 176.600 0.048 0.000 1.047 456 K CA 0.756 57.073 56.287 0.050 0.000 0.976 456 K CB 0.234 32.758 32.500 0.040 0.000 0.765 456 K HN 0.465 nan 8.250 nan 0.000 0.474 457 K N 0.197 120.629 120.400 0.053 0.000 2.358 457 K HA 0.166 4.482 4.320 -0.006 0.000 0.197 457 K C 0.795 177.429 176.600 0.057 0.000 1.025 457 K CA -0.167 56.150 56.287 0.050 0.000 1.104 457 K CB 0.304 32.832 32.500 0.046 0.000 0.855 457 K HN 0.139 nan 8.250 nan 0.000 0.531 458 M N 1.589 121.228 119.600 0.065 0.000 2.219 458 M HA -0.006 4.470 4.480 -0.006 0.000 0.353 458 M C 0.358 176.702 176.300 0.073 0.000 1.304 458 M CA 0.697 56.042 55.300 0.074 0.000 1.115 458 M CB 0.572 33.223 32.600 0.086 0.000 1.664 458 M HN 0.062 nan 8.290 nan 0.000 0.459 459 E N 4.058 124.303 120.200 0.075 0.000 2.389 459 E HA 0.160 4.507 4.350 -0.006 0.000 0.199 459 E C -0.205 176.448 176.600 0.088 0.000 0.978 459 E CA 0.241 56.687 56.400 0.077 0.000 0.912 459 E CB 0.776 30.519 29.700 0.071 0.000 0.907 459 E HN 0.725 nan 8.360 nan 0.000 0.494 460 M N 1.849 121.505 119.600 0.094 0.000 2.183 460 M HA 0.327 4.803 4.480 -0.006 0.000 0.277 460 M C -2.197 174.176 176.300 0.122 0.000 0.995 460 M CA -0.868 54.496 55.300 0.106 0.000 0.969 460 M CB 1.781 34.437 32.600 0.092 0.000 1.659 460 M HN -0.006 nan 8.290 nan 0.000 0.462 461 L N 4.413 125.720 121.223 0.139 0.000 2.386 461 L HA 0.857 5.194 4.340 -0.006 0.000 0.271 461 L C -1.499 175.486 176.870 0.192 0.000 0.993 461 L CA 0.157 55.090 54.840 0.155 0.000 0.819 461 L CB 2.537 44.688 42.059 0.154 0.000 1.294 461 L HN 0.742 nan 8.230 nan 0.000 0.414 462 S N 3.418 119.246 115.700 0.213 0.000 2.541 462 S HA 0.939 5.406 4.470 -0.006 0.000 0.280 462 S C -1.179 173.573 174.600 0.253 0.000 1.112 462 S CA -0.736 57.639 58.200 0.292 0.000 0.925 462 S CB 1.930 65.373 63.200 0.405 0.000 1.067 462 S HN 0.488 nan 8.310 nan 0.000 0.479 463 V N 0.662 120.761 119.914 0.308 0.000 2.932 463 V HA 0.950 5.066 4.120 -0.006 0.000 0.307 463 V C -0.885 175.364 176.094 0.258 0.000 1.147 463 V CA -0.594 61.871 62.300 0.275 0.000 0.951 463 V CB 1.921 33.991 31.823 0.411 0.000 1.031 463 V HN 1.268 nan 8.190 nan 0.000 0.426 464 A N 2.218 125.153 122.820 0.191 0.000 2.540 464 A HA 0.804 5.120 4.320 -0.006 0.000 0.297 464 A C -0.707 177.015 177.584 0.230 0.000 1.056 464 A CA -0.575 51.550 52.037 0.148 0.000 0.700 464 A CB 0.701 19.837 19.000 0.226 0.000 1.280 464 A HN 1.325 nan 8.150 nan 0.000 0.398 465 F N -0.936 119.027 119.950 0.021 0.000 2.970 465 F HA -0.105 4.418 4.527 -0.006 0.000 0.251 465 F C 0.938 176.747 175.800 0.015 0.000 0.993 465 F CA 1.435 59.435 58.000 -0.001 0.000 0.869 465 F CB -1.438 37.564 39.000 0.003 0.000 0.762 465 F HN 1.223 nan 8.300 nan 0.000 0.817 466 A N -0.193 122.691 122.820 0.108 0.000 2.485 466 A HA 0.942 5.259 4.320 -0.006 0.000 0.292 466 A C 0.495 178.166 177.584 0.145 0.000 1.147 466 A CA -0.268 51.875 52.037 0.177 0.000 0.750 466 A CB 1.412 20.564 19.000 0.254 0.000 1.331 466 A HN 1.875 nan 8.150 nan 0.000 0.419 467 G N -0.084 108.917 108.800 0.335 0.000 2.787 467 G HA2 -0.006 3.951 3.960 -0.006 0.000 0.685 467 G HA3 -0.006 3.951 3.960 -0.006 0.000 0.685 467 G C -0.361 174.604 174.900 0.109 0.000 1.437 467 G CA 0.261 45.591 45.100 0.385 0.000 0.872 467 G HN 0.711 nan 8.290 nan 0.000 0.566 468 D N -0.536 119.958 120.400 0.156 0.000 2.463 468 D HA 0.288 4.924 4.640 -0.006 0.000 0.237 468 D C 1.563 177.898 176.300 0.058 0.000 1.013 468 D CA 1.621 55.670 54.000 0.082 0.000 0.910 468 D CB 0.671 41.532 40.800 0.101 0.000 1.080 468 D HN 1.209 nan 8.370 nan 0.000 0.498 469 S N -0.874 114.900 115.700 0.124 0.000 2.636 469 S HA 0.174 4.641 4.470 -0.006 0.000 0.268 469 S C -0.226 174.483 174.600 0.182 0.000 1.159 469 S CA -0.682 57.583 58.200 0.108 0.000 0.815 469 S CB 1.589 64.821 63.200 0.054 0.000 1.130 469 S HN -0.280 nan 8.310 nan 0.000 0.471 470 D N 0.457 120.917 120.400 0.099 0.000 2.354 470 D HA -0.035 4.602 4.640 -0.006 0.000 0.216 470 D C 1.608 177.846 176.300 -0.104 0.000 0.970 470 D CA 0.590 54.609 54.000 0.031 0.000 0.905 470 D CB -0.098 40.690 40.800 -0.021 0.000 0.903 470 D HN 0.461 nan 8.370 nan 0.000 0.508 471 L N 0.309 121.480 121.223 -0.087 0.000 2.093 471 L HA -0.101 4.235 4.340 -0.006 0.000 0.208 471 L C 2.260 178.951 176.870 -0.299 0.000 1.085 471 L CA 1.314 56.039 54.840 -0.192 0.000 0.755 471 L CB -0.593 41.402 42.059 -0.107 0.000 0.904 471 L HN 0.055 nan 8.230 nan 0.000 0.435 472 G N -0.218 108.483 108.800 -0.166 0.000 2.511 472 G HA2 -0.374 3.582 3.960 -0.006 0.000 0.216 472 G HA3 -0.374 3.582 3.960 -0.006 0.000 0.216 472 G C 1.538 175.946 174.900 -0.820 0.000 1.218 472 G CA 0.955 45.830 45.100 -0.375 0.000 0.788 472 G HN 0.302 nan 8.290 nan 0.000 0.560 473 M N -0.089 118.741 119.600 -1.284 0.000 2.267 473 M HA -0.129 4.348 4.480 -0.006 0.000 0.263 473 M C 2.290 178.282 176.300 -0.513 0.000 1.063 473 M CA 2.096 56.697 55.300 -1.165 0.000 1.090 473 M CB -0.149 31.735 32.600 -1.194 0.000 1.392 473 M HN 0.563 nan 8.290 nan 0.000 0.422 474 H N -0.739 118.054 119.070 -0.462 0.000 2.343 474 H HA -0.141 4.412 4.556 -0.006 0.000 0.303 474 H C 1.830 177.025 175.328 -0.221 0.000 1.068 474 H CA 2.168 58.025 56.048 -0.318 0.000 1.359 474 H CB -0.252 29.317 29.762 -0.322 0.000 1.402 474 H HN 0.414 nan 8.280 nan 0.000 0.515 475 H N -0.347 118.563 119.070 -0.266 0.000 2.394 475 H HA -0.132 4.420 4.556 -0.006 0.000 0.297 475 H C 2.482 177.708 175.328 -0.170 0.000 1.113 475 H CA 1.656 57.582 56.048 -0.204 0.000 1.277 475 H CB -0.545 29.198 29.762 -0.030 0.000 1.370 475 H HN 0.303 nan 8.280 nan 0.000 0.506 476 V N 0.953 120.848 119.914 -0.032 0.000 2.283 476 V HA -0.194 3.923 4.120 -0.006 0.000 0.243 476 V C 2.860 178.909 176.094 -0.075 0.000 1.039 476 V CA 1.301 63.596 62.300 -0.008 0.000 1.016 476 V CB -0.738 31.091 31.823 0.010 0.000 0.650 476 V HN 0.197 nan 8.190 nan 0.000 0.449 477 L N 0.030 121.164 121.223 -0.149 0.000 2.191 477 L HA -0.158 4.178 4.340 -0.006 0.000 0.212 477 L C 2.659 179.448 176.870 -0.134 0.000 1.103 477 L CA 1.627 56.395 54.840 -0.121 0.000 0.769 477 L CB -0.557 41.430 42.059 -0.119 0.000 0.908 477 L HN 0.340 nan 8.230 nan 0.000 0.438 478 S N -0.240 115.319 115.700 -0.236 0.000 2.335 478 S HA -0.069 4.398 4.470 -0.006 0.000 0.217 478 S C 1.945 176.485 174.600 -0.100 0.000 1.032 478 S CA 1.310 59.377 58.200 -0.222 0.000 0.985 478 S CB -0.291 62.643 63.200 -0.443 0.000 0.896 478 S HN 0.485 nan 8.310 nan 0.000 0.445 479 G N -0.268 108.489 108.800 -0.071 0.000 2.494 479 G HA2 -0.044 3.912 3.960 -0.006 0.000 0.216 479 G HA3 -0.044 3.912 3.960 -0.006 0.000 0.216 479 G C 0.539 175.433 174.900 -0.011 0.000 1.140 479 G CA 0.408 45.487 45.100 -0.035 0.000 0.801 479 G HN 0.557 nan 8.290 nan 0.000 0.536 480 C N 2.578 121.879 119.300 0.002 0.000 2.423 480 C HA 0.226 4.682 4.460 -0.006 0.000 0.378 480 C C 1.192 176.195 174.990 0.022 0.000 1.068 480 C CA -1.171 57.862 59.018 0.025 0.000 1.371 480 C CB -0.749 27.017 27.740 0.042 0.000 1.856 480 C HN 0.403 nan 8.230 nan 0.000 0.523 481 D N 1.123 121.535 120.400 0.020 0.000 2.149 481 D HA -0.101 4.535 4.640 -0.006 0.000 0.198 481 D C 1.857 178.175 176.300 0.031 0.000 0.990 481 D CA 1.508 55.521 54.000 0.020 0.000 0.839 481 D CB 0.014 40.825 40.800 0.018 0.000 0.948 481 D HN 0.507 nan 8.370 nan 0.000 0.460 482 S N -0.287 115.436 115.700 0.039 0.000 2.575 482 S HA 0.126 4.592 4.470 -0.006 0.000 0.215 482 S C 0.985 175.618 174.600 0.055 0.000 0.966 482 S CA -0.391 57.837 58.200 0.047 0.000 0.911 482 S CB 0.472 63.701 63.200 0.048 0.000 0.780 482 S HN 0.239 nan 8.310 nan 0.000 0.514 483 L N 2.431 123.687 121.223 0.054 0.000 2.653 483 L HA -0.050 4.286 4.340 -0.006 0.000 0.288 483 L C 1.256 178.168 176.870 0.070 0.000 1.243 483 L CA 0.739 55.617 54.840 0.063 0.000 0.906 483 L CB 0.409 42.501 42.059 0.056 0.000 1.154 483 L HN 0.273 nan 8.230 nan 0.000 0.498 484 R N 2.448 122.998 120.500 0.084 0.000 2.383 484 R HA 0.240 4.576 4.340 -0.006 0.000 0.205 484 R C -0.158 176.210 176.300 0.113 0.000 0.875 484 R CA -0.071 56.087 56.100 0.096 0.000 1.039 484 R CB 0.674 31.036 30.300 0.103 0.000 1.267 484 R HN 0.459 nan 8.270 nan 0.000 0.635 485 K N 1.190 121.660 120.400 0.117 0.000 2.507 485 K HA 0.382 4.698 4.320 -0.006 0.000 0.251 485 K C -1.934 174.746 176.600 0.133 0.000 0.943 485 K CA -0.651 55.719 56.287 0.139 0.000 0.794 485 K CB 2.377 34.964 32.500 0.144 0.000 1.188 485 K HN -0.189 nan 8.250 nan 0.000 0.428 486 L N 2.604 123.910 121.223 0.138 0.000 2.422 486 L HA 0.517 4.854 4.340 -0.006 0.000 0.264 486 L C -1.810 175.138 176.870 0.129 0.000 0.984 486 L CA -0.052 54.864 54.840 0.126 0.000 0.819 486 L CB 1.920 44.036 42.059 0.096 0.000 1.330 486 L HN 0.732 nan 8.230 nan 0.000 0.410 487 E N 4.629 124.885 120.200 0.095 0.000 2.311 487 E HA 0.643 4.990 4.350 -0.006 0.000 0.281 487 E C -1.585 175.028 176.600 0.022 0.000 0.905 487 E CA -0.685 55.685 56.400 -0.049 0.000 0.778 487 E CB 1.990 31.413 29.700 -0.461 0.000 1.240 487 E HN 0.518 nan 8.360 nan 0.000 0.410 488 I N 2.043 122.686 120.570 0.121 0.000 2.686 488 I HA 0.536 4.702 4.170 -0.006 0.000 0.295 488 I C -0.775 175.521 176.117 0.298 0.000 1.114 488 I CA -0.766 60.682 61.300 0.246 0.000 1.038 488 I CB 2.132 40.296 38.000 0.272 0.000 1.238 488 I HN 0.610 nan 8.210 nan 0.000 0.420 489 R N 1.870 122.528 120.500 0.263 0.000 2.626 489 R HA 0.590 4.926 4.340 -0.006 0.000 0.274 489 R C -1.336 174.842 176.300 -0.203 0.000 1.031 489 R CA -0.913 55.285 56.100 0.163 0.000 0.898 489 R CB 1.231 31.767 30.300 0.393 0.000 1.222 489 R HN 0.554 nan 8.270 nan 0.000 0.455 490 D N -0.167 120.044 120.400 -0.315 0.000 2.701 490 D HA -0.201 4.436 4.640 -0.006 0.000 0.235 490 D C -0.709 175.266 176.300 -0.542 0.000 1.155 490 D CA 1.046 54.693 54.000 -0.590 0.000 0.649 490 D CB -1.364 38.608 40.800 -1.380 0.000 1.050 490 D HN 0.545 nan 8.370 nan 0.000 0.425 491 C N 0.294 119.344 119.300 -0.417 0.000 2.399 491 C HA 0.591 5.047 4.460 -0.006 0.000 0.348 491 C C -1.662 173.003 174.990 -0.542 0.000 1.183 491 C CA -1.437 57.225 59.018 -0.594 0.000 2.023 491 C CB 1.429 28.537 27.740 -1.054 0.000 2.361 491 C HN 0.176 nan 8.230 nan 0.000 0.521 492 P HA 0.230 nan 4.420 nan 0.000 0.212 492 P C -0.920 176.246 177.300 -0.224 0.000 1.816 492 P CA 0.324 63.248 63.100 -0.293 0.000 0.944 492 P CB -0.592 31.005 31.700 -0.172 0.000 1.896 493 F N 0.131 120.030 119.950 -0.086 0.000 2.425 493 F HA 0.697 5.220 4.527 -0.006 0.000 0.331 493 F C 1.422 177.177 175.800 -0.075 0.000 1.085 493 F CA -0.754 57.186 58.000 -0.100 0.000 1.028 493 F CB 2.115 41.038 39.000 -0.127 0.000 1.177 493 F HN 0.107 nan 8.300 nan 0.000 0.487 494 G N 0.828 109.703 108.800 0.126 0.000 3.100 494 G HA2 0.137 4.093 3.960 -0.006 0.000 0.174 494 G HA3 0.137 4.093 3.960 -0.006 0.000 0.174 494 G C -0.398 174.511 174.900 0.015 0.000 1.136 494 G CA -0.277 44.850 45.100 0.045 0.000 0.881 494 G HN 0.412 nan 8.290 nan 0.000 0.616 495 D N 0.234 120.630 120.400 -0.007 0.000 2.162 495 D HA 0.031 4.668 4.640 -0.006 0.000 0.203 495 D C 2.292 178.569 176.300 -0.037 0.000 0.967 495 D CA 0.821 54.806 54.000 -0.025 0.000 0.840 495 D CB 0.111 40.891 40.800 -0.032 0.000 0.972 495 D HN 0.332 nan 8.370 nan 0.000 0.482 496 K N 1.034 121.408 120.400 -0.043 0.000 2.002 496 K HA -0.041 4.276 4.320 -0.006 0.000 0.209 496 K C 2.192 178.746 176.600 -0.076 0.000 1.048 496 K CA 1.283 57.529 56.287 -0.067 0.000 0.930 496 K CB -0.205 32.247 32.500 -0.079 0.000 0.714 496 K HN 0.038 nan 8.250 nan 0.000 0.438 497 A N 1.757 124.536 122.820 -0.068 0.000 1.933 497 A HA -0.150 4.166 4.320 -0.006 0.000 0.218 497 A C 2.150 179.713 177.584 -0.035 0.000 1.175 497 A CA 1.124 53.126 52.037 -0.058 0.000 0.628 497 A CB -0.493 18.444 19.000 -0.106 0.000 0.814 497 A HN 0.215 nan 8.150 nan 0.000 0.444 498 L N -0.331 120.866 121.223 -0.044 0.000 2.027 498 L HA -0.057 4.280 4.340 -0.006 0.000 0.206 498 L C 2.252 179.103 176.870 -0.032 0.000 1.074 498 L CA 1.760 56.577 54.840 -0.038 0.000 0.745 498 L CB -0.706 41.333 42.059 -0.033 0.000 0.898 498 L HN 0.387 nan 8.230 nan 0.000 0.433 499 L N -0.704 120.497 121.223 -0.037 0.000 2.109 499 L HA -0.039 4.297 4.340 -0.006 0.000 0.207 499 L C 2.622 179.474 176.870 -0.030 0.000 1.086 499 L CA 0.960 55.777 54.840 -0.038 0.000 0.760 499 L CB -0.919 41.112 42.059 -0.047 0.000 0.910 499 L HN 0.303 nan 8.230 nan 0.000 0.437 500 A N 0.354 123.155 122.820 -0.032 0.000 2.032 500 A HA -0.219 4.097 4.320 -0.006 0.000 0.221 500 A C 1.525 179.125 177.584 0.026 0.000 1.165 500 A CA 2.160 54.185 52.037 -0.019 0.000 0.645 500 A CB -0.642 18.316 19.000 -0.070 0.000 0.807 500 A HN 0.566 nan 8.150 nan 0.000 0.453 501 N N -1.399 117.316 118.700 0.026 0.000 2.235 501 N HA 0.428 5.164 4.740 -0.006 0.000 0.231 501 N C 1.162 176.668 175.510 -0.006 0.000 1.177 501 N CA 0.488 53.548 53.050 0.018 0.000 0.874 501 N CB 0.446 38.941 38.487 0.013 0.000 1.097 501 N HN 0.342 nan 8.380 nan 0.000 0.518 502 A N 0.689 123.501 122.820 -0.014 0.000 1.927 502 A HA -0.279 4.037 4.320 -0.006 0.000 0.220 502 A C 2.269 179.842 177.584 -0.018 0.000 1.185 502 A CA 2.316 54.340 52.037 -0.022 0.000 0.639 502 A CB -0.868 18.115 19.000 -0.029 0.000 0.820 502 A HN 0.442 nan 8.150 nan 0.000 0.451 503 S N -0.554 115.138 115.700 -0.012 0.000 2.447 503 S HA -0.158 4.308 4.470 -0.006 0.000 0.233 503 S C 1.798 176.395 174.600 -0.004 0.000 1.006 503 S CA 1.553 59.748 58.200 -0.008 0.000 0.957 503 S CB -0.243 62.953 63.200 -0.005 0.000 0.773 503 S HN 0.554 nan 8.310 nan 0.000 0.507 504 K N 1.776 122.173 120.400 -0.005 0.000 2.032 504 K HA 0.064 4.380 4.320 -0.006 0.000 0.209 504 K C 1.965 178.567 176.600 0.004 0.000 1.048 504 K CA 1.491 57.777 56.287 -0.002 0.000 0.927 504 K CB -0.749 31.745 32.500 -0.011 0.000 0.712 504 K HN 0.445 nan 8.250 nan 0.000 0.441 505 L N 0.746 121.968 121.223 -0.003 0.000 2.211 505 L HA -0.252 4.084 4.340 -0.006 0.000 0.216 505 L C 1.985 178.860 176.870 0.009 0.000 1.092 505 L CA 1.492 56.332 54.840 0.000 0.000 0.767 505 L CB -0.576 41.473 42.059 -0.017 0.000 0.894 505 L HN 0.392 nan 8.230 nan 0.000 0.437 506 E N -0.393 119.811 120.200 0.007 0.000 2.435 506 E HA -0.082 4.264 4.350 -0.006 0.000 0.195 506 E C 1.405 178.023 176.600 0.030 0.000 1.029 506 E CA 1.139 57.548 56.400 0.014 0.000 0.865 506 E CB 0.184 29.889 29.700 0.008 0.000 0.833 506 E HN 0.550 nan 8.360 nan 0.000 0.510 507 T N -1.818 112.755 114.554 0.032 0.000 3.214 507 T HA 0.381 4.728 4.350 -0.006 0.000 0.264 507 T C 0.310 175.042 174.700 0.054 0.000 1.012 507 T CA -0.249 61.876 62.100 0.041 0.000 0.901 507 T CB -0.017 68.871 68.868 0.033 0.000 1.070 507 T HN -0.138 nan 8.240 nan 0.000 0.561 508 M N 0.755 120.391 119.600 0.061 0.000 2.484 508 M HA 0.455 4.931 4.480 -0.006 0.000 0.289 508 M C 0.932 177.289 176.300 0.095 0.000 1.206 508 M CA -0.933 54.412 55.300 0.076 0.000 0.892 508 M CB 3.280 35.920 32.600 0.067 0.000 1.712 508 M HN -0.019 nan 8.290 nan 0.000 0.462 509 R N 1.256 121.826 120.500 0.116 0.000 2.090 509 R HA 0.068 4.405 4.340 -0.006 0.000 0.228 509 R C -0.079 176.316 176.300 0.158 0.000 1.110 509 R CA 1.551 57.733 56.100 0.137 0.000 0.973 509 R CB 0.385 30.770 30.300 0.143 0.000 0.869 509 R HN 0.767 nan 8.270 nan 0.000 0.440 510 S N -0.995 114.802 115.700 0.162 0.000 2.597 510 S HA 0.401 4.867 4.470 -0.006 0.000 0.274 510 S C -1.328 173.391 174.600 0.198 0.000 1.132 510 S CA -1.117 57.189 58.200 0.177 0.000 0.835 510 S CB 1.234 64.612 63.200 0.298 0.000 1.092 510 S HN 0.210 nan 8.310 nan 0.000 0.457 511 L N 0.879 122.217 121.223 0.191 0.000 2.388 511 L HA 0.928 5.265 4.340 -0.006 0.000 0.264 511 L C -1.698 175.412 176.870 0.399 0.000 0.998 511 L CA -0.251 54.728 54.840 0.231 0.000 0.817 511 L CB 2.104 44.231 42.059 0.113 0.000 1.338 511 L HN 1.007 nan 8.230 nan 0.000 0.414 512 W N 7.026 128.416 121.300 0.151 0.000 2.781 512 W HA 0.667 5.323 4.660 -0.006 0.000 0.333 512 W C -2.392 174.132 176.519 0.009 0.000 1.047 512 W CA -0.947 56.485 57.345 0.144 0.000 1.236 512 W CB 2.051 31.458 29.460 -0.088 0.000 1.394 512 W HN 0.557 nan 8.180 nan 0.000 0.466 513 M N 6.170 125.425 119.600 -0.576 0.000 2.267 513 M HA 0.328 4.805 4.480 -0.006 0.000 0.289 513 M C -0.545 175.478 176.300 -0.462 0.000 1.043 513 M CA -0.570 54.556 55.300 -0.291 0.000 0.928 513 M CB 2.398 34.940 32.600 -0.096 0.000 1.613 513 M HN 0.348 nan 8.290 nan 0.000 0.450 514 S N 0.143 115.772 115.700 -0.118 0.000 2.541 514 S HA 0.627 5.093 4.470 -0.006 0.000 0.280 514 S C 0.132 174.768 174.600 0.060 0.000 1.112 514 S CA -0.734 57.469 58.200 0.005 0.000 0.925 514 S CB 1.847 65.244 63.200 0.329 0.000 1.067 514 S HN 0.794 nan 8.310 nan 0.000 0.479 515 S N -0.392 115.324 115.700 0.027 0.000 3.445 515 S HA -0.182 4.284 4.470 -0.006 0.000 0.319 515 S C 0.671 175.238 174.600 -0.056 0.000 1.209 515 S CA 0.994 59.189 58.200 -0.008 0.000 0.934 515 S CB -2.387 60.804 63.200 -0.015 0.000 0.999 515 S HN 0.845 nan 8.310 nan 0.000 0.582 516 C N 0.299 119.569 119.300 -0.049 0.000 2.372 516 C HA 0.566 5.022 4.460 -0.006 0.000 0.352 516 C C 1.772 176.738 174.990 -0.040 0.000 2.624 516 C CA -0.449 58.531 59.018 -0.063 0.000 1.817 516 C CB 1.003 28.725 27.740 -0.030 0.000 2.051 516 C HN 0.501 nan 8.230 nan 0.000 0.412 517 S N 0.111 115.795 115.700 -0.026 0.000 2.581 517 S HA 0.216 4.682 4.470 -0.006 0.000 0.245 517 S C -0.435 174.165 174.600 0.002 0.000 1.115 517 S CA -0.090 58.103 58.200 -0.013 0.000 1.093 517 S CB 0.050 63.239 63.200 -0.017 0.000 0.853 517 S HN 0.434 nan 8.310 nan 0.000 0.479 518 V N 3.731 123.647 119.914 0.003 0.000 2.389 518 V HA 0.274 4.391 4.120 -0.006 0.000 0.264 518 V C 0.727 176.834 176.094 0.021 0.000 1.049 518 V CA -0.555 61.749 62.300 0.007 0.000 0.932 518 V CB 0.644 32.467 31.823 0.000 0.000 1.011 518 V HN 0.618 nan 8.190 nan 0.000 0.475 519 S N 4.959 120.671 115.700 0.020 0.000 2.592 519 S HA 0.247 4.713 4.470 -0.006 0.000 0.271 519 S C 0.903 175.557 174.600 0.089 0.000 1.326 519 S CA -0.369 57.859 58.200 0.046 0.000 1.024 519 S CB 0.698 63.908 63.200 0.016 0.000 0.921 519 S HN 0.559 nan 8.310 nan 0.000 0.527 520 F N 3.187 123.104 119.950 -0.054 0.000 2.120 520 F HA -0.005 4.518 4.527 -0.006 0.000 0.300 520 F C 2.141 177.902 175.800 -0.064 0.000 1.095 520 F CA 1.708 59.667 58.000 -0.069 0.000 1.249 520 F CB -1.305 37.638 39.000 -0.095 0.000 0.995 520 F HN 0.803 nan 8.300 nan 0.000 0.480 521 G N 0.103 108.735 108.800 -0.279 0.000 2.672 521 G HA2 -0.371 3.585 3.960 -0.006 0.000 0.218 521 G HA3 -0.371 3.585 3.960 -0.006 0.000 0.218 521 G C 1.908 176.662 174.900 -0.243 0.000 1.238 521 G CA 1.873 46.776 45.100 -0.327 0.000 0.791 521 G HN 0.704 nan 8.290 nan 0.000 0.606 522 A N -0.467 122.275 122.820 -0.131 0.000 1.948 522 A HA -0.149 4.167 4.320 -0.006 0.000 0.220 522 A C 2.636 180.165 177.584 -0.092 0.000 1.177 522 A CA 2.095 54.074 52.037 -0.096 0.000 0.636 522 A CB -1.056 17.909 19.000 -0.058 0.000 0.815 522 A HN 0.497 nan 8.150 nan 0.000 0.449 523 C N -0.933 118.324 119.300 -0.071 0.000 2.413 523 C HA -0.109 4.347 4.460 -0.006 0.000 0.277 523 C C 2.698 177.641 174.990 -0.080 0.000 1.228 523 C CA 1.373 60.374 59.018 -0.028 0.000 1.731 523 C CB -1.126 26.670 27.740 0.093 0.000 2.042 523 C HN 0.658 nan 8.230 nan 0.000 0.468 524 K N 0.515 120.795 120.400 -0.200 0.000 2.020 524 K HA -0.210 4.106 4.320 -0.006 0.000 0.212 524 K C 1.954 178.463 176.600 -0.153 0.000 1.050 524 K CA 1.435 57.594 56.287 -0.214 0.000 0.929 524 K CB -0.510 31.754 32.500 -0.392 0.000 0.714 524 K HN 0.455 nan 8.250 nan 0.000 0.443 525 L N 0.874 122.001 121.223 -0.159 0.000 1.990 525 L HA -0.246 4.091 4.340 -0.006 0.000 0.213 525 L C 2.357 179.175 176.870 -0.086 0.000 1.072 525 L CA 1.099 55.870 54.840 -0.114 0.000 0.755 525 L CB -0.296 41.700 42.059 -0.106 0.000 0.889 525 L HN 0.201 nan 8.230 nan 0.000 0.432 526 L N 0.112 121.288 121.223 -0.079 0.000 2.043 526 L HA -0.153 4.183 4.340 -0.006 0.000 0.212 526 L C 2.314 179.145 176.870 -0.065 0.000 1.075 526 L CA 2.191 56.992 54.840 -0.065 0.000 0.752 526 L CB -1.278 40.746 42.059 -0.058 0.000 0.891 526 L HN 0.306 nan 8.230 nan 0.000 0.432 527 G N -1.360 107.400 108.800 -0.066 0.000 2.491 527 G HA2 -0.307 3.649 3.960 -0.006 0.000 0.218 527 G HA3 -0.307 3.649 3.960 -0.006 0.000 0.218 527 G C 1.385 176.247 174.900 -0.063 0.000 1.180 527 G CA 0.864 45.925 45.100 -0.065 0.000 0.774 527 G HN 0.527 nan 8.290 nan 0.000 0.562 528 Q N 0.157 119.920 119.800 -0.063 0.000 2.050 528 Q HA -0.106 4.231 4.340 -0.006 0.000 0.202 528 Q C 2.485 178.454 176.000 -0.051 0.000 0.980 528 Q CA 1.453 57.222 55.803 -0.057 0.000 0.840 528 Q CB -0.346 28.355 28.738 -0.061 0.000 0.898 528 Q HN 0.585 nan 8.270 nan 0.000 0.424 529 K N -0.019 120.350 120.400 -0.053 0.000 2.147 529 K HA -0.069 4.247 4.320 -0.006 0.000 0.205 529 K C 0.530 177.104 176.600 -0.043 0.000 1.049 529 K CA 0.832 57.092 56.287 -0.046 0.000 0.936 529 K CB 0.276 32.749 32.500 -0.046 0.000 0.722 529 K HN 0.086 nan 8.250 nan 0.000 0.446 530 M N 1.582 121.152 119.600 -0.050 0.000 2.236 530 M HA 0.186 4.662 4.480 -0.006 0.000 0.228 530 M C -2.224 174.040 176.300 -0.060 0.000 0.906 530 M CA -1.693 53.576 55.300 -0.051 0.000 0.761 530 M CB 1.219 33.786 32.600 -0.054 0.000 1.439 530 M HN -0.143 nan 8.290 nan 0.000 0.394 531 P HA -0.188 nan 4.420 nan 0.000 0.216 531 P C 0.854 178.115 177.300 -0.065 0.000 1.157 531 P CA 1.725 64.793 63.100 -0.054 0.000 0.880 531 P CB 0.164 31.840 31.700 -0.040 0.000 0.791 532 K N -1.068 119.299 120.400 -0.055 0.000 2.486 532 K HA 0.083 4.400 4.320 -0.006 0.000 0.194 532 K C 0.901 177.452 176.600 -0.082 0.000 1.033 532 K CA 0.081 56.337 56.287 -0.051 0.000 1.004 532 K CB -0.236 32.249 32.500 -0.025 0.000 0.798 532 K HN 0.219 nan 8.250 nan 0.000 0.495 533 L N 2.021 123.175 121.223 -0.114 0.000 2.326 533 L HA 0.157 4.493 4.340 -0.006 0.000 0.278 533 L C -0.244 176.450 176.870 -0.293 0.000 1.092 533 L CA -0.805 53.922 54.840 -0.188 0.000 0.810 533 L CB 0.701 42.667 42.059 -0.154 0.000 1.153 533 L HN 0.029 nan 8.230 nan 0.000 0.439 534 N N 2.134 120.499 118.700 -0.558 0.000 2.422 534 N HA 0.254 4.991 4.740 -0.006 0.000 0.264 534 N C -0.736 174.444 175.510 -0.548 0.000 1.063 534 N CA -0.261 52.423 53.050 -0.610 0.000 0.959 534 N CB 1.810 39.780 38.487 -0.862 0.000 1.087 534 N HN 0.188 nan 8.380 nan 0.000 0.483 535 V N 2.636 122.389 119.914 -0.268 0.000 2.311 535 V HA 0.237 4.354 4.120 -0.006 0.000 0.275 535 V C 0.100 176.175 176.094 -0.031 0.000 1.022 535 V CA -0.578 61.640 62.300 -0.137 0.000 0.830 535 V CB 0.556 32.330 31.823 -0.082 0.000 1.012 535 V HN 0.519 nan 8.190 nan 0.000 0.452 536 E N 3.551 123.786 120.200 0.058 0.000 2.145 536 E HA 0.468 4.814 4.350 -0.006 0.000 0.270 536 E C -1.043 175.703 176.600 0.244 0.000 0.906 536 E CA -0.602 55.910 56.400 0.186 0.000 0.761 536 E CB 2.614 32.512 29.700 0.330 0.000 1.116 536 E HN 0.404 nan 8.360 nan 0.000 0.408 537 V N 5.300 125.377 119.914 0.271 0.000 2.432 537 V HA 0.256 4.373 4.120 -0.006 0.000 0.275 537 V C -0.073 176.259 176.094 0.396 0.000 1.043 537 V CA -0.193 62.283 62.300 0.293 0.000 0.925 537 V CB 0.617 32.609 31.823 0.282 0.000 0.985 537 V HN 0.563 nan 8.190 nan 0.000 0.466 538 I N 5.327 126.104 120.570 0.344 0.000 2.382 538 I HA 0.517 4.683 4.170 -0.006 0.000 0.285 538 I C -0.471 175.888 176.117 0.403 0.000 1.007 538 I CA 0.023 61.595 61.300 0.453 0.000 1.142 538 I CB 1.270 39.563 38.000 0.487 0.000 1.289 538 I HN 0.523 nan 8.210 nan 0.000 0.453 539 D N 4.279 124.990 120.400 0.520 0.000 2.753 539 D HA 0.204 4.840 4.640 -0.006 0.000 0.224 539 D C -0.458 176.091 176.300 0.415 0.000 1.213 539 D CA -0.251 53.979 54.000 0.384 0.000 0.833 539 D CB 2.763 43.746 40.800 0.306 0.000 1.607 539 D HN 0.564 nan 8.370 nan 0.000 0.463 540 E N 0.664 120.995 120.200 0.219 0.000 2.630 540 E HA 0.130 4.476 4.350 -0.006 0.000 0.218 540 E C 0.380 177.052 176.600 0.120 0.000 0.977 540 E CA 0.095 56.570 56.400 0.126 0.000 1.038 540 E CB 0.474 30.171 29.700 -0.006 0.000 1.051 540 E HN 0.167 nan 8.360 nan 0.000 0.487 541 R N -0.420 120.157 120.500 0.128 0.000 2.468 541 R HA 0.419 4.756 4.340 -0.006 0.000 0.280 541 R C 0.610 176.964 176.300 0.090 0.000 0.963 541 R CA 0.292 56.438 56.100 0.077 0.000 1.083 541 R CB 1.150 31.468 30.300 0.030 0.000 1.200 541 R HN 0.156 nan 8.270 nan 0.000 0.541 542 G N 0.704 109.625 108.800 0.202 0.000 2.582 542 G HA2 -0.030 3.926 3.960 -0.006 0.000 0.222 542 G HA3 -0.030 3.926 3.960 -0.006 0.000 0.222 542 G C -0.536 174.382 174.900 0.029 0.000 1.311 542 G CA -0.777 44.470 45.100 0.246 0.000 0.915 542 G HN 0.405 nan 8.290 nan 0.000 0.528 543 A N 0.715 123.512 122.820 -0.039 0.000 2.580 543 A HA 0.483 4.800 4.320 -0.006 0.000 0.244 543 A C -0.232 176.979 177.584 -0.622 0.000 1.045 543 A CA 1.103 52.883 52.037 -0.429 0.000 0.761 543 A CB -0.096 18.800 19.000 -0.173 0.000 0.962 543 A HN 0.579 nan 8.150 nan 0.000 0.512 544 P HA -0.139 nan 4.420 nan 0.000 0.216 544 P C 0.747 177.518 177.300 -0.882 0.000 1.153 544 P CA 1.499 63.886 63.100 -1.188 0.000 0.848 544 P CB -0.053 30.420 31.700 -2.046 0.000 0.787 545 D N -0.333 119.684 120.400 -0.640 0.000 2.403 545 D HA -0.101 4.536 4.640 -0.006 0.000 0.227 545 D C 1.133 177.383 176.300 -0.083 0.000 0.995 545 D CA 0.919 54.870 54.000 -0.082 0.000 0.928 545 D CB -1.140 39.675 40.800 0.024 0.000 0.887 545 D HN 0.234 nan 8.370 nan 0.000 0.529 546 S N -1.472 114.131 115.700 -0.162 0.000 2.597 546 S HA 0.219 4.685 4.470 -0.006 0.000 0.224 546 S C 0.557 175.110 174.600 -0.079 0.000 0.955 546 S CA -0.799 57.346 58.200 -0.092 0.000 0.933 546 S CB 0.034 63.185 63.200 -0.082 0.000 0.788 546 S HN 0.057 nan 8.310 nan 0.000 0.488 547 R N 1.451 121.897 120.500 -0.089 0.000 2.750 547 R HA 0.514 4.851 4.340 -0.006 0.000 0.281 547 R C -3.061 173.246 176.300 0.012 0.000 0.972 547 R CA -2.455 53.615 56.100 -0.049 0.000 0.912 547 R CB 1.021 31.272 30.300 -0.081 0.000 1.187 547 R HN 0.106 nan 8.270 nan 0.000 0.464 548 P HA -0.113 nan 4.420 nan 0.000 0.259 548 P C -0.028 177.322 177.300 0.083 0.000 1.163 548 P CA 0.533 63.656 63.100 0.039 0.000 0.760 548 P CB 0.499 32.210 31.700 0.018 0.000 0.762 549 E N 1.578 121.840 120.200 0.104 0.000 2.333 549 E HA -0.165 4.181 4.350 -0.006 0.000 0.200 549 E C 1.479 178.119 176.600 0.066 0.000 1.010 549 E CA 1.444 57.924 56.400 0.134 0.000 0.841 549 E CB 0.009 29.694 29.700 -0.025 0.000 0.757 549 E HN 0.547 nan 8.360 nan 0.000 0.508 550 S N -0.474 115.246 115.700 0.033 0.000 2.522 550 S HA -0.030 4.436 4.470 -0.006 0.000 0.227 550 S C 1.027 175.645 174.600 0.031 0.000 0.986 550 S CA -0.171 58.038 58.200 0.015 0.000 0.929 550 S CB -0.283 62.918 63.200 0.001 0.000 0.769 550 S HN 0.103 nan 8.310 nan 0.000 0.529 551 C N 5.090 124.420 119.300 0.050 0.000 2.632 551 C HA 0.346 4.802 4.460 -0.006 0.000 0.415 551 C C -1.976 173.042 174.990 0.046 0.000 1.332 551 C CA -1.562 57.477 59.018 0.036 0.000 1.874 551 C CB -0.073 27.680 27.740 0.021 0.000 2.596 551 C HN 0.416 nan 8.230 nan 0.000 0.590 552 P HA 0.101 nan 4.420 nan 0.000 0.263 552 P C -0.027 177.285 177.300 0.020 0.000 1.195 552 P CA 0.406 63.520 63.100 0.023 0.000 0.762 552 P CB 0.161 31.865 31.700 0.007 0.000 0.799 553 V N 1.347 121.280 119.914 0.032 0.000 2.963 553 V HA 0.050 4.167 4.120 -0.006 0.000 0.306 553 V C 1.539 177.642 176.094 0.015 0.000 1.077 553 V CA 0.056 62.367 62.300 0.019 0.000 1.124 553 V CB -0.028 31.820 31.823 0.042 0.000 0.987 553 V HN 0.489 nan 8.190 nan 0.000 0.487 554 E N 1.920 122.138 120.200 0.031 0.000 2.110 554 E HA -0.020 4.326 4.350 -0.006 0.000 0.193 554 E C 0.403 177.011 176.600 0.014 0.000 0.988 554 E CA 1.240 57.664 56.400 0.040 0.000 0.804 554 E CB 0.137 29.883 29.700 0.077 0.000 0.745 554 E HN 0.712 nan 8.360 nan 0.000 0.458 555 R N -0.614 119.871 120.500 -0.025 0.000 2.563 555 R HA 0.348 4.684 4.340 -0.006 0.000 0.262 555 R C -1.851 174.337 176.300 -0.187 0.000 1.128 555 R CA -0.330 55.653 56.100 -0.194 0.000 0.969 555 R CB 2.371 32.573 30.300 -0.163 0.000 1.251 555 R HN -0.075 nan 8.270 nan 0.000 0.442 556 V N 3.898 123.626 119.914 -0.311 0.000 2.789 556 V HA 0.730 4.846 4.120 -0.006 0.000 0.311 556 V C -1.769 174.237 176.094 -0.147 0.000 1.073 556 V CA -0.661 61.566 62.300 -0.122 0.000 0.921 556 V CB 1.960 33.761 31.823 -0.037 0.000 1.009 556 V HN 0.644 nan 8.190 nan 0.000 0.426 557 F N 7.080 126.979 119.950 -0.085 0.000 2.518 557 F HA 0.764 5.287 4.527 -0.006 0.000 0.323 557 F C -0.832 175.101 175.800 0.222 0.000 1.129 557 F CA -1.524 56.534 58.000 0.097 0.000 0.920 557 F CB 1.494 40.706 39.000 0.354 0.000 1.160 557 F HN 0.423 nan 8.300 nan 0.000 0.440 558 I N 7.989 128.455 120.570 -0.174 0.000 2.447 558 I HA 0.368 4.534 4.170 -0.006 0.000 0.287 558 I C -1.515 174.428 176.117 -0.290 0.000 1.023 558 I CA -0.963 60.193 61.300 -0.241 0.000 1.083 558 I CB 1.720 39.663 38.000 -0.096 0.000 1.245 558 I HN 0.598 nan 8.210 nan 0.000 0.434 559 Y N 4.113 124.182 120.300 -0.385 0.000 2.504 559 Y HA 0.664 5.211 4.550 -0.006 0.000 0.344 559 Y C -0.486 175.354 175.900 -0.101 0.000 1.023 559 Y CA -1.529 56.415 58.100 -0.260 0.000 1.020 559 Y CB 0.936 39.187 38.460 -0.348 0.000 1.282 559 Y HN 0.590 nan 8.280 nan 0.000 0.454 560 R N 1.108 121.657 120.500 0.082 0.000 2.694 560 R HA 0.646 4.982 4.340 -0.006 0.000 0.268 560 R C -0.600 175.802 176.300 0.171 0.000 1.061 560 R CA -0.118 56.017 56.100 0.058 0.000 1.133 560 R CB 1.219 31.560 30.300 0.068 0.000 1.020 560 R HN 0.899 nan 8.270 nan 0.000 0.475 561 T N -0.421 114.198 114.554 0.108 0.000 2.840 561 T HA 0.236 4.582 4.350 -0.006 0.000 0.317 561 T C -0.115 174.646 174.700 0.101 0.000 1.401 561 T CA -0.502 61.697 62.100 0.165 0.000 1.028 561 T CB 1.720 70.727 68.868 0.233 0.000 1.317 561 T HN 0.640 nan 8.240 nan 0.000 0.495 562 V N 1.300 121.285 119.914 0.117 0.000 3.271 562 V HA 0.775 4.891 4.120 -0.006 0.000 0.327 562 V C 1.098 177.244 176.094 0.087 0.000 1.389 562 V CA 0.862 63.214 62.300 0.086 0.000 1.156 562 V CB -0.193 31.681 31.823 0.085 0.000 1.103 562 V HN 0.926 nan 8.190 nan 0.000 0.453 563 A N -0.326 122.559 122.820 0.108 0.000 2.469 563 A HA 0.736 5.052 4.320 -0.006 0.000 0.245 563 A C 1.420 179.048 177.584 0.073 0.000 1.221 563 A CA 0.546 52.651 52.037 0.113 0.000 0.946 563 A CB -0.218 18.885 19.000 0.172 0.000 1.049 563 A HN 1.811 nan 8.150 nan 0.000 0.529 564 G N 0.103 108.921 108.800 0.030 0.000 2.752 564 G HA2 -0.124 3.832 3.960 -0.006 0.000 0.234 564 G HA3 -0.124 3.832 3.960 -0.006 0.000 0.234 564 G C -2.915 171.933 174.900 -0.086 0.000 1.367 564 G CA -0.356 44.721 45.100 -0.039 0.000 0.879 564 G HN 0.322 nan 8.290 nan 0.000 0.563 565 P HA 0.368 nan 4.420 nan 0.000 0.272 565 P C 0.224 177.324 177.300 -0.333 0.000 1.223 565 P CA -0.248 62.711 63.100 -0.234 0.000 0.784 565 P CB 0.432 31.980 31.700 -0.253 0.000 0.923 566 R N 0.981 121.306 120.500 -0.291 0.000 2.577 566 R HA 0.354 4.690 4.340 -0.006 0.000 0.269 566 R C -0.199 175.866 176.300 -0.391 0.000 1.084 566 R CA -0.209 55.727 56.100 -0.274 0.000 1.163 566 R CB -0.025 30.058 30.300 -0.363 0.000 1.100 566 R HN 0.246 nan 8.270 nan 0.000 0.547 567 F N -0.104 119.809 119.950 -0.062 0.000 2.765 567 F HA 0.062 4.585 4.527 -0.006 0.000 0.302 567 F C 0.649 176.403 175.800 -0.077 0.000 1.111 567 F CA 0.177 58.142 58.000 -0.059 0.000 1.359 567 F CB 0.243 39.226 39.000 -0.028 0.000 1.097 567 F HN 0.665 nan 8.300 nan 0.000 0.577 568 D N -0.987 119.434 120.400 0.036 0.000 2.538 568 D HA 0.093 4.729 4.640 -0.006 0.000 0.231 568 D C 0.224 176.450 176.300 -0.124 0.000 1.229 568 D CA -0.062 53.949 54.000 0.018 0.000 0.828 568 D CB -0.678 40.233 40.800 0.185 0.000 1.035 568 D HN 0.096 nan 8.370 nan 0.000 0.495 569 M N 2.178 121.630 119.600 -0.247 0.000 2.269 569 M HA 0.162 4.638 4.480 -0.006 0.000 0.350 569 M C -1.796 174.279 176.300 -0.375 0.000 1.429 569 M CA -0.873 54.195 55.300 -0.387 0.000 1.063 569 M CB 0.372 32.724 32.600 -0.412 0.000 1.841 569 M HN -0.033 nan 8.290 nan 0.000 0.455 570 P HA 0.068 nan 4.420 nan 0.000 0.282 570 P C 0.669 177.616 177.300 -0.589 0.000 1.286 570 P CA -0.199 62.624 63.100 -0.461 0.000 0.777 570 P CB 0.233 31.569 31.700 -0.607 0.000 1.184 571 G N -0.416 108.145 108.800 -0.398 0.000 2.470 571 G HA2 -0.200 3.756 3.960 -0.006 0.000 0.220 571 G HA3 -0.200 3.756 3.960 -0.006 0.000 0.220 571 G C 0.865 175.425 174.900 -0.566 0.000 1.121 571 G CA 0.420 45.316 45.100 -0.340 0.000 0.766 571 G HN 0.585 nan 8.290 nan 0.000 0.553 572 F N -0.407 119.268 119.950 -0.459 0.000 2.684 572 F HA 0.691 5.214 4.527 -0.006 0.000 0.298 572 F C -0.451 174.983 175.800 -0.610 0.000 1.120 572 F CA -1.416 56.273 58.000 -0.520 0.000 1.332 572 F CB 0.030 38.987 39.000 -0.072 0.000 0.986 572 F HN -0.167 nan 8.300 nan 0.000 0.524 573 V N 0.816 120.070 119.914 -1.100 0.000 2.735 573 V HA 0.403 4.519 4.120 -0.006 0.000 0.310 573 V C -1.158 174.519 176.094 -0.694 0.000 1.061 573 V CA -0.901 61.035 62.300 -0.606 0.000 0.913 573 V CB 2.179 33.714 31.823 -0.479 0.000 1.005 573 V HN 0.304 nan 8.190 nan 0.000 0.428 574 W N 2.509 123.785 121.300 -0.041 0.000 2.830 574 W HA 0.395 5.052 4.660 -0.006 0.000 0.335 574 W C -0.397 176.109 176.519 -0.021 0.000 1.043 574 W CA -0.880 56.445 57.345 -0.033 0.000 1.239 574 W CB 2.051 31.506 29.460 -0.008 0.000 1.378 574 W HN 0.666 nan 8.180 nan 0.000 0.456 575 N N 3.317 122.089 118.700 0.121 0.000 2.414 575 N HA 0.224 4.960 4.740 -0.006 0.000 0.256 575 N C 0.610 176.163 175.510 0.073 0.000 1.029 575 N CA -0.320 52.758 53.050 0.046 0.000 0.948 575 N CB 0.716 39.164 38.487 -0.066 0.000 1.102 575 N HN 0.085 nan 8.380 nan 0.000 0.496 576 M N 0.000 119.639 119.600 0.065 0.000 2.572 576 M HA 0.000 4.476 4.480 -0.006 0.000 0.227 576 M CA 0.000 55.328 55.300 0.047 0.000 0.988 576 M CB 0.000 32.619 32.600 0.031 0.000 1.302 576 M HN 0.000 nan 8.290 nan 0.000 0.411